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 3aeo_1_C DATA FIRST_RESID 1003 DATA SEQUENCE AQDITTTLLH PKGDHVLHSH AYPIFQTSTF CFDSTQQGAD LFMGKGEGHI DATA SEQUENCE YSRLGNPTVE QFEEMVCSIE GAAGSAAFGS GMGAISSSTL AFLQKGDHLI DATA SEQUENCE AGDTLYGCTV SLFTHWLPRF GIEVDLIDTS DVEKVKAAWK PNTKMVYLES DATA SEQUENCE PANPTCKVSD IKGIAVVCHE RGARLVVDAT FTSPCFLKPL ELGADIALHS DATA SEQUENCE VSKYINGHGD VIGGVSSAKT AEDIATIKFY RKDAGSLMAP MDAFLCARGM DATA SEQUENCE KTLPIRMQIH MENGLKVAKF LEQHEKIVKV NHPGLESFPG HDIAKKQMTG DATA SEQUENCE YGSTFLFEMK SFEAAKKLME HLKVCTLAVS LGCVDTLIEH PASMTHAAVP DATA SEQUENCE ENIMRKQGIT PELVRISVGI ENVDDIIADL KQALELW 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 1003 A HA 0.000 nan 4.320 nan 0.000 0.244 1003 A C 0.000 177.584 177.584 -0.000 0.000 1.274 1003 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 1003 A CB 0.000 19.000 19.000 0.001 0.000 0.831 1004 Q N 1.820 121.619 119.800 -0.002 0.000 2.311 1004 Q HA 0.246 4.584 4.340 -0.004 0.000 0.272 1004 Q C -0.068 175.935 176.000 0.004 0.000 1.012 1004 Q CA 0.183 55.985 55.803 -0.001 0.000 0.891 1004 Q CB 0.476 29.211 28.738 -0.005 0.000 1.201 1004 Q HN 0.699 nan 8.270 nan 0.000 0.391 1005 D N 2.804 123.209 120.400 0.008 0.000 2.423 1005 D HA -0.087 4.551 4.640 -0.004 0.000 0.238 1005 D C 0.986 177.293 176.300 0.012 0.000 1.142 1005 D CA -0.128 53.879 54.000 0.011 0.000 0.884 1005 D CB 0.609 41.419 40.800 0.016 0.000 1.199 1005 D HN 0.669 nan 8.370 nan 0.000 0.438 1006 I N 2.610 123.181 120.570 0.003 0.000 2.264 1006 I HA -0.262 3.906 4.170 -0.004 0.000 0.248 1006 I C 1.891 178.008 176.117 -0.000 0.000 1.111 1006 I CA 1.737 63.032 61.300 -0.008 0.000 1.382 1006 I CB -0.488 37.495 38.000 -0.028 0.000 1.060 1006 I HN 0.558 nan 8.210 nan 0.000 0.418 1007 T N 0.010 114.569 114.554 0.007 0.000 2.684 1007 T HA -0.198 4.149 4.350 -0.004 0.000 0.267 1007 T C 1.782 176.513 174.700 0.052 0.000 1.036 1007 T CA 2.330 64.442 62.100 0.020 0.000 1.148 1007 T CB -0.638 68.244 68.868 0.024 0.000 0.863 1007 T HN 0.446 nan 8.240 nan 0.000 0.436 1008 T N 1.651 116.247 114.554 0.069 0.000 2.777 1008 T HA -0.102 4.246 4.350 -0.004 0.000 0.266 1008 T C 2.297 177.092 174.700 0.159 0.000 1.040 1008 T CA 1.581 63.761 62.100 0.133 0.000 1.141 1008 T CB -0.761 68.148 68.868 0.068 0.000 0.868 1008 T HN 0.385 nan 8.240 nan 0.000 0.444 1009 T N 2.526 117.126 114.554 0.076 0.000 2.720 1009 T HA 0.002 4.350 4.350 -0.004 0.000 0.268 1009 T C 1.943 176.664 174.700 0.036 0.000 1.037 1009 T CA 0.953 63.086 62.100 0.055 0.000 1.144 1009 T CB -0.477 68.398 68.868 0.013 0.000 0.864 1009 T HN 0.261 nan 8.240 nan 0.000 0.444 1010 L N 0.191 121.421 121.223 0.012 0.000 2.141 1010 L HA 0.048 4.385 4.340 -0.004 0.000 0.209 1010 L C 2.227 179.073 176.870 -0.041 0.000 1.094 1010 L CA 0.918 55.745 54.840 -0.022 0.000 0.763 1010 L CB -0.409 41.633 42.059 -0.028 0.000 0.908 1010 L HN 0.265 nan 8.230 nan 0.000 0.437 1011 L N -1.325 119.879 121.223 -0.030 0.000 2.492 1011 L HA -0.034 4.304 4.340 -0.004 0.000 0.223 1011 L C 0.590 177.190 176.870 -0.450 0.000 1.132 1011 L CA 0.353 55.091 54.840 -0.170 0.000 0.850 1011 L CB -0.100 41.900 42.059 -0.100 0.000 0.966 1011 L HN 0.324 nan 8.230 nan 0.000 0.454 1012 H N 0.160 119.234 119.070 0.006 0.000 2.439 1012 H HA 0.293 4.847 4.556 -0.004 0.000 0.230 1012 H C -2.255 173.062 175.328 -0.018 0.000 1.420 1012 H CA -1.534 54.520 56.048 0.010 0.000 1.305 1012 H CB 0.379 30.156 29.762 0.026 0.000 1.667 1012 H HN 0.059 nan 8.280 nan 0.000 0.515 1013 P HA 0.122 nan 4.420 nan 0.000 0.278 1013 P C 0.216 177.495 177.300 -0.036 0.000 1.238 1013 P CA -0.462 62.619 63.100 -0.032 0.000 0.794 1013 P CB 1.891 33.543 31.700 -0.080 0.000 0.955 1014 K N 0.825 121.203 120.400 -0.037 0.000 2.336 1014 K HA 0.487 4.805 4.320 -0.004 0.000 0.262 1014 K C 0.705 177.266 176.600 -0.065 0.000 0.992 1014 K CA 0.334 56.597 56.287 -0.040 0.000 0.927 1014 K CB -0.163 32.316 32.500 -0.034 0.000 0.956 1014 K HN 0.896 nan 8.250 nan 0.000 0.495 1015 G N 1.287 110.054 108.800 -0.055 0.000 2.335 1015 G HA2 -0.060 3.898 3.960 -0.004 0.000 0.592 1015 G HA3 -0.060 3.898 3.960 -0.004 0.000 0.592 1015 G C -1.742 173.129 174.900 -0.047 0.000 1.442 1015 G CA -1.047 44.026 45.100 -0.046 0.000 0.976 1015 G HN 0.490 nan 8.290 nan 0.000 0.652 1016 D N 0.928 121.333 120.400 0.008 0.000 2.341 1016 D HA 0.384 5.022 4.640 -0.004 0.000 0.245 1016 D C 0.870 177.189 176.300 0.032 0.000 1.106 1016 D CA 0.035 54.043 54.000 0.013 0.000 0.905 1016 D CB 0.405 41.232 40.800 0.046 0.000 1.202 1016 D HN 0.356 nan 8.370 nan 0.000 0.426 1017 H N 0.092 119.198 119.070 0.060 0.000 2.771 1017 H HA 0.141 4.694 4.556 -0.004 0.000 0.364 1017 H C -0.246 175.067 175.328 -0.025 0.000 1.133 1017 H CA 0.107 56.174 56.048 0.032 0.000 1.423 1017 H CB 0.766 30.517 29.762 -0.018 0.000 1.425 1017 H HN -0.012 nan 8.280 nan 0.000 0.606 1018 V N 4.686 124.637 119.914 0.062 0.000 2.357 1018 V HA 0.019 4.137 4.120 -0.004 0.000 0.284 1018 V C 0.950 177.050 176.094 0.011 0.000 1.018 1018 V CA -0.520 61.782 62.300 0.004 0.000 0.841 1018 V CB 0.983 32.760 31.823 -0.078 0.000 0.991 1018 V HN 0.752 nan 8.190 nan 0.000 0.437 1019 L N 6.052 127.295 121.223 0.034 0.000 3.781 1019 L HA -0.284 4.054 4.340 -0.004 0.000 0.426 1019 L C 0.994 177.975 176.870 0.186 0.000 1.197 1019 L CA 0.623 55.526 54.840 0.105 0.000 0.907 1019 L CB -1.731 40.367 42.059 0.065 0.000 1.812 1019 L HN 1.089 nan 8.230 nan 0.000 0.956 1020 H N -2.660 116.431 119.070 0.036 0.000 3.179 1020 H HA -0.167 4.386 4.556 -0.004 0.000 0.250 1020 H C 1.082 176.376 175.328 -0.056 0.000 1.142 1020 H CA 1.082 57.117 56.048 -0.022 0.000 1.165 1020 H CB -1.097 28.645 29.762 -0.033 0.000 1.253 1020 H HN 0.501 nan 8.280 nan 0.000 0.325 1021 S N -0.416 115.328 115.700 0.074 0.000 2.533 1021 S HA -0.038 4.430 4.470 -0.004 0.000 0.282 1021 S C 1.575 176.250 174.600 0.125 0.000 1.304 1021 S CA 0.110 58.353 58.200 0.072 0.000 1.063 1021 S CB 0.626 63.840 63.200 0.023 0.000 0.881 1021 S HN 0.561 nan 8.310 nan 0.000 0.493 1022 H N 3.804 122.884 119.070 0.017 0.000 2.299 1022 H HA 0.098 4.652 4.556 -0.004 0.000 0.302 1022 H C 0.947 176.377 175.328 0.170 0.000 1.078 1022 H CA 1.048 57.129 56.048 0.055 0.000 1.323 1022 H CB -0.171 29.606 29.762 0.025 0.000 1.381 1022 H HN 0.716 nan 8.280 nan 0.000 0.498 1023 A N 0.635 123.483 122.820 0.045 0.000 2.354 1023 A HA 0.142 4.460 4.320 -0.004 0.000 0.269 1023 A C -1.015 176.661 177.584 0.153 0.000 1.109 1023 A CA -0.319 51.755 52.037 0.063 0.000 0.800 1023 A CB -0.268 18.826 19.000 0.155 0.000 1.045 1023 A HN 0.510 nan 8.150 nan 0.000 0.489 1024 Y N 3.440 123.811 120.300 0.117 0.000 2.544 1024 Y HA 0.286 4.834 4.550 -0.004 0.000 0.330 1024 Y C -1.786 174.234 175.900 0.200 0.000 1.136 1024 Y CA -0.936 57.263 58.100 0.165 0.000 1.417 1024 Y CB 0.296 38.841 38.460 0.142 0.000 1.229 1024 Y HN 0.519 nan 8.280 nan 0.000 0.532 1025 P HA 0.147 nan 4.420 nan 0.000 0.272 1025 P C -0.913 176.412 177.300 0.042 0.000 1.240 1025 P CA -0.053 62.961 63.100 -0.144 0.000 0.791 1025 P CB 0.661 32.104 31.700 -0.429 0.000 0.978 1026 I N 1.322 121.810 120.570 -0.137 0.000 2.297 1026 I HA 0.199 4.367 4.170 -0.004 0.000 0.291 1026 I C -0.009 176.033 176.117 -0.124 0.000 1.033 1026 I CA -0.305 60.966 61.300 -0.049 0.000 1.253 1026 I CB -0.113 37.750 38.000 -0.227 0.000 1.396 1026 I HN 0.207 nan 8.210 nan 0.000 0.476 1027 F N 4.794 124.748 119.950 0.006 0.000 2.626 1027 F HA 0.145 4.670 4.527 -0.003 0.000 0.353 1027 F C 1.134 176.890 175.800 -0.072 0.000 1.230 1027 F CA -0.424 57.557 58.000 -0.032 0.000 1.298 1027 F CB 0.069 39.088 39.000 0.032 0.000 1.670 1027 F HN 0.483 nan 8.300 nan 0.000 0.633 1028 Q N 2.462 122.241 119.800 -0.036 0.000 2.780 1028 Q HA 0.116 4.454 4.340 -0.004 0.000 0.234 1028 Q C -0.223 175.720 176.000 -0.095 0.000 1.355 1028 Q CA 0.215 55.981 55.803 -0.062 0.000 0.919 1028 Q CB 0.012 28.693 28.738 -0.095 0.000 1.645 1028 Q HN 0.436 nan 8.270 nan 0.000 0.568 1029 T N -0.235 114.259 114.554 -0.100 0.000 2.883 1029 T HA 0.480 4.828 4.350 -0.004 0.000 0.301 1029 T C 0.605 175.177 174.700 -0.213 0.000 1.158 1029 T CA 0.062 62.044 62.100 -0.196 0.000 1.007 1029 T CB 1.222 69.876 68.868 -0.358 0.000 1.186 1029 T HN 0.456 nan 8.240 nan 0.000 0.499 1030 S N 1.770 117.338 115.700 -0.219 0.000 2.444 1030 S HA 0.255 4.722 4.470 -0.004 0.000 0.223 1030 S C 1.040 175.499 174.600 -0.234 0.000 1.054 1030 S CA 0.248 58.293 58.200 -0.257 0.000 0.947 1030 S CB -0.197 62.929 63.200 -0.123 0.000 0.850 1030 S HN 0.696 nan 8.310 nan 0.000 0.527 1031 T N 0.544 115.023 114.554 -0.125 0.000 2.938 1031 T HA 0.713 5.061 4.350 -0.004 0.000 0.285 1031 T C -1.864 172.654 174.700 -0.304 0.000 1.028 1031 T CA -0.767 61.359 62.100 0.043 0.000 1.005 1031 T CB 0.794 69.757 68.868 0.159 0.000 1.157 1031 T HN 0.198 nan 8.240 nan 0.000 0.550 1032 F N 0.956 120.883 119.950 -0.037 0.000 2.576 1032 F HA 0.513 5.038 4.527 -0.003 0.000 0.313 1032 F C 0.625 176.274 175.800 -0.251 0.000 1.078 1032 F CA -1.026 56.931 58.000 -0.071 0.000 0.921 1032 F CB 1.080 40.090 39.000 0.016 0.000 1.232 1032 F HN 0.771 nan 8.300 nan 0.000 0.459 1033 C N 0.823 120.130 119.300 0.011 0.000 2.534 1033 C HA 0.722 5.180 4.460 -0.004 0.000 0.385 1033 C C -0.460 174.538 174.990 0.013 0.000 1.264 1033 C CA -0.891 58.077 59.018 -0.084 0.000 2.342 1033 C CB -0.372 27.376 27.740 0.013 0.000 2.564 1033 C HN 0.500 nan 8.230 nan 0.000 0.603 1034 F N 1.529 121.555 119.950 0.126 0.000 2.458 1034 F HA 0.364 4.889 4.527 -0.003 0.000 0.330 1034 F C 1.242 177.091 175.800 0.081 0.000 1.082 1034 F CA -0.745 57.318 58.000 0.105 0.000 0.995 1034 F CB 0.803 39.865 39.000 0.104 0.000 1.170 1034 F HN 0.598 nan 8.300 nan 0.000 0.478 1035 D N 0.195 120.764 120.400 0.281 0.000 2.149 1035 D HA -0.034 4.604 4.640 -0.004 0.000 0.201 1035 D C 0.639 177.019 176.300 0.134 0.000 0.972 1035 D CA 1.308 55.405 54.000 0.162 0.000 0.835 1035 D CB 0.200 41.069 40.800 0.115 0.000 0.966 1035 D HN 0.438 nan 8.370 nan 0.000 0.476 1036 S N -2.734 113.044 115.700 0.130 0.000 2.625 1036 S HA 0.310 4.778 4.470 -0.004 0.000 0.271 1036 S C 0.799 175.436 174.600 0.063 0.000 1.161 1036 S CA -0.617 57.633 58.200 0.083 0.000 0.820 1036 S CB 1.534 64.759 63.200 0.042 0.000 1.137 1036 S HN -0.116 nan 8.310 nan 0.000 0.470 1037 T N 1.193 115.774 114.554 0.045 0.000 2.684 1037 T HA -0.146 4.202 4.350 -0.004 0.000 0.267 1037 T C 1.773 176.446 174.700 -0.046 0.000 1.036 1037 T CA 2.191 64.301 62.100 0.017 0.000 1.148 1037 T CB -0.583 68.296 68.868 0.020 0.000 0.863 1037 T HN 0.668 nan 8.240 nan 0.000 0.436 1038 Q N 0.901 120.678 119.800 -0.037 0.000 2.030 1038 Q HA -0.137 4.200 4.340 -0.004 0.000 0.204 1038 Q C 2.467 178.409 176.000 -0.097 0.000 0.986 1038 Q CA 1.608 57.379 55.803 -0.054 0.000 0.843 1038 Q CB -0.329 28.391 28.738 -0.030 0.000 0.904 1038 Q HN 0.457 nan 8.270 nan 0.000 0.420 1039 Q N -0.833 118.909 119.800 -0.098 0.000 2.061 1039 Q HA -0.153 4.184 4.340 -0.004 0.000 0.204 1039 Q C 1.894 177.703 176.000 -0.319 0.000 0.984 1039 Q CA 1.835 57.559 55.803 -0.132 0.000 0.846 1039 Q CB -0.588 28.119 28.738 -0.051 0.000 0.902 1039 Q HN 0.531 nan 8.270 nan 0.000 0.421 1040 G N 0.557 109.002 108.800 -0.591 0.000 2.459 1040 G HA2 -0.264 3.694 3.960 -0.004 0.000 0.217 1040 G HA3 -0.264 3.694 3.960 -0.004 0.000 0.217 1040 G C 1.563 176.150 174.900 -0.522 0.000 1.183 1040 G CA 1.606 45.892 45.100 -1.357 0.000 0.776 1040 G HN 0.537 nan 8.290 nan 0.000 0.552 1041 A N 1.045 123.724 122.820 -0.235 0.000 1.892 1041 A HA -0.142 4.175 4.320 -0.004 0.000 0.218 1041 A C 2.120 179.688 177.584 -0.028 0.000 1.188 1041 A CA 2.308 54.306 52.037 -0.064 0.000 0.631 1041 A CB -0.582 18.381 19.000 -0.062 0.000 0.822 1041 A HN 0.309 nan 8.150 nan 0.000 0.447 1042 D N -0.146 120.202 120.400 -0.087 0.000 2.123 1042 D HA -0.116 4.522 4.640 -0.004 0.000 0.196 1042 D C 1.910 178.165 176.300 -0.075 0.000 0.992 1042 D CA 1.025 54.984 54.000 -0.069 0.000 0.833 1042 D CB -0.331 40.422 40.800 -0.079 0.000 0.954 1042 D HN 0.466 nan 8.370 nan 0.000 0.455 1043 L N -0.554 120.586 121.223 -0.138 0.000 2.141 1043 L HA -0.112 4.226 4.340 -0.004 0.000 0.209 1043 L C 2.132 178.896 176.870 -0.177 0.000 1.094 1043 L CA 0.570 55.302 54.840 -0.179 0.000 0.763 1043 L CB -0.295 41.618 42.059 -0.243 0.000 0.908 1043 L HN -0.025 nan 8.230 nan 0.000 0.437 1044 F N -0.787 119.103 119.950 -0.100 0.000 2.546 1044 F HA -0.144 4.381 4.527 -0.004 0.000 0.298 1044 F C 2.298 178.069 175.800 -0.049 0.000 1.120 1044 F CA 0.907 58.877 58.000 -0.049 0.000 1.456 1044 F CB -0.146 38.830 39.000 -0.040 0.000 1.088 1044 F HN 0.062 nan 8.300 nan 0.000 0.572 1045 M N -1.250 118.394 119.600 0.073 0.000 2.486 1045 M HA 0.161 4.639 4.480 -0.004 0.000 0.264 1045 M C 1.033 177.328 176.300 -0.009 0.000 1.125 1045 M CA 0.399 55.716 55.300 0.029 0.000 1.144 1045 M CB 0.110 32.715 32.600 0.008 0.000 1.353 1045 M HN -0.014 nan 8.290 nan 0.000 0.466 1046 G N 1.684 110.464 108.800 -0.033 0.000 2.557 1046 G HA2 0.600 4.558 3.960 -0.004 0.000 0.310 1046 G HA3 0.600 4.558 3.960 -0.004 0.000 0.310 1046 G C -1.303 173.556 174.900 -0.068 0.000 1.328 1046 G CA -0.502 44.563 45.100 -0.059 0.000 0.945 1046 G HN 0.232 nan 8.290 nan 0.000 0.494 1047 K N 1.138 121.496 120.400 -0.071 0.000 2.527 1047 K HA 0.775 5.093 4.320 -0.004 0.000 0.260 1047 K C 0.506 177.059 176.600 -0.078 0.000 0.937 1047 K CA -0.517 55.729 56.287 -0.069 0.000 0.826 1047 K CB 1.947 34.417 32.500 -0.050 0.000 1.359 1047 K HN 0.403 nan 8.250 nan 0.000 0.434 1048 G N 1.023 109.778 108.800 -0.075 0.000 2.680 1048 G HA2 0.127 4.085 3.960 -0.004 0.000 0.224 1048 G HA3 0.127 4.085 3.960 -0.004 0.000 0.224 1048 G C -0.587 174.252 174.900 -0.102 0.000 1.454 1048 G CA -0.092 44.964 45.100 -0.074 0.000 0.900 1048 G HN 0.545 nan 8.290 nan 0.000 0.570 1049 E N 0.416 120.556 120.200 -0.100 0.000 2.199 1049 E HA 0.563 4.911 4.350 -0.004 0.000 0.269 1049 E C -0.009 176.497 176.600 -0.157 0.000 0.899 1049 E CA -0.019 56.301 56.400 -0.133 0.000 0.772 1049 E CB 1.902 31.547 29.700 -0.091 0.000 1.155 1049 E HN 0.614 nan 8.360 nan 0.000 0.408 1050 G N 2.083 110.706 108.800 -0.294 0.000 2.357 1050 G HA2 0.078 4.035 3.960 -0.004 0.000 0.289 1050 G HA3 0.078 4.035 3.960 -0.004 0.000 0.289 1050 G C -1.625 172.879 174.900 -0.660 0.000 1.302 1050 G CA -0.987 43.914 45.100 -0.331 0.000 0.936 1050 G HN 0.530 nan 8.290 nan 0.000 0.513 1051 H N -1.459 117.430 119.070 -0.301 0.000 2.821 1051 H HA 0.756 5.310 4.556 -0.004 0.000 0.373 1051 H C 0.957 176.071 175.328 -0.357 0.000 1.165 1051 H CA -0.677 55.010 56.048 -0.601 0.000 1.154 1051 H CB 2.220 31.125 29.762 -1.428 0.000 1.765 1051 H HN 0.382 nan 8.280 nan 0.000 0.549 1052 I N -0.274 120.203 120.570 -0.155 0.000 3.739 1052 I HA 0.179 4.346 4.170 -0.004 0.000 0.272 1052 I C -0.905 175.459 176.117 0.412 0.000 1.167 1052 I CA 0.035 61.423 61.300 0.147 0.000 1.386 1052 I CB 0.877 38.824 38.000 -0.088 0.000 1.490 1052 I HN 0.378 nan 8.210 nan 0.000 0.452 1053 Y N -0.244 120.184 120.300 0.213 0.000 2.465 1053 Y HA 0.203 4.751 4.550 -0.004 0.000 0.323 1053 Y C 0.533 176.572 175.900 0.233 0.000 1.191 1053 Y CA -0.897 57.372 58.100 0.282 0.000 1.082 1053 Y CB 1.450 40.012 38.460 0.169 0.000 1.334 1053 Y HN -0.158 nan 8.280 nan 0.000 0.449 1054 S N 3.237 118.844 115.700 -0.155 0.000 2.447 1054 S HA -0.125 4.343 4.470 -0.004 0.000 0.233 1054 S C 1.860 176.411 174.600 -0.082 0.000 1.006 1054 S CA 1.397 59.566 58.200 -0.053 0.000 0.957 1054 S CB -0.162 62.982 63.200 -0.093 0.000 0.773 1054 S HN 0.711 nan 8.310 nan 0.000 0.507 1055 R N 0.996 121.417 120.500 -0.131 0.000 2.105 1055 R HA -0.026 4.312 4.340 -0.004 0.000 0.239 1055 R C 1.778 178.133 176.300 0.091 0.000 1.135 1055 R CA 1.181 57.314 56.100 0.055 0.000 0.967 1055 R CB -0.228 30.205 30.300 0.221 0.000 0.861 1055 R HN 0.382 nan 8.270 nan 0.000 0.442 1056 L N -1.541 119.763 121.223 0.135 0.000 2.202 1056 L HA 0.276 4.614 4.340 -0.004 0.000 0.205 1056 L C 0.907 177.787 176.870 0.017 0.000 1.083 1056 L CA 0.408 55.292 54.840 0.074 0.000 0.790 1056 L CB 0.204 42.298 42.059 0.057 0.000 0.942 1056 L HN 0.306 nan 8.230 nan 0.000 0.452 1057 G N -0.006 108.808 108.800 0.024 0.000 2.657 1057 G HA2 0.144 4.101 3.960 -0.004 0.000 0.303 1057 G HA3 0.144 4.101 3.960 -0.004 0.000 0.303 1057 G C -2.050 172.877 174.900 0.045 0.000 1.457 1057 G CA -0.542 44.572 45.100 0.023 0.000 0.982 1057 G HN -0.072 nan 8.290 nan 0.000 0.583 1058 N N 2.686 121.396 118.700 0.017 0.000 2.314 1058 N HA 0.477 5.214 4.740 -0.004 0.000 0.294 1058 N C -1.923 173.516 175.510 -0.119 0.000 1.029 1058 N CA -1.973 51.070 53.050 -0.011 0.000 0.845 1058 N CB 3.482 42.005 38.487 0.059 0.000 1.321 1058 N HN 0.040 nan 8.380 nan 0.000 0.481 1059 P HA -0.078 nan 4.420 nan 0.000 0.216 1059 P C 1.028 178.292 177.300 -0.060 0.000 1.153 1059 P CA 1.644 64.533 63.100 -0.352 0.000 0.858 1059 P CB 0.256 31.425 31.700 -0.886 0.000 0.789 1060 T N -0.928 113.717 114.554 0.152 0.000 2.777 1060 T HA -0.072 4.275 4.350 -0.004 0.000 0.266 1060 T C 1.839 176.595 174.700 0.094 0.000 1.040 1060 T CA 1.141 63.393 62.100 0.254 0.000 1.141 1060 T CB -0.933 68.162 68.868 0.380 0.000 0.868 1060 T HN -0.099 nan 8.240 nan 0.000 0.444 1061 V N 1.498 121.457 119.914 0.076 0.000 2.379 1061 V HA -0.129 3.989 4.120 -0.004 0.000 0.245 1061 V C 2.447 178.574 176.094 0.055 0.000 1.044 1061 V CA 1.553 63.903 62.300 0.083 0.000 1.036 1061 V CB -0.590 31.262 31.823 0.048 0.000 0.664 1061 V HN 0.521 nan 8.190 nan 0.000 0.453 1062 E N -0.441 119.748 120.200 -0.018 0.000 2.118 1062 E HA -0.254 4.094 4.350 -0.004 0.000 0.195 1062 E C 2.387 178.915 176.600 -0.119 0.000 0.992 1062 E CA 1.104 57.468 56.400 -0.059 0.000 0.804 1062 E CB -0.169 29.502 29.700 -0.048 0.000 0.741 1062 E HN 0.520 nan 8.360 nan 0.000 0.458 1063 Q N -0.072 119.601 119.800 -0.212 0.000 2.096 1063 Q HA -0.201 4.137 4.340 -0.004 0.000 0.204 1063 Q C 2.060 177.985 176.000 -0.125 0.000 0.982 1063 Q CA 1.345 56.975 55.803 -0.287 0.000 0.850 1063 Q CB -0.309 28.103 28.738 -0.542 0.000 0.901 1063 Q HN 0.354 nan 8.270 nan 0.000 0.422 1064 F N 1.600 121.467 119.950 -0.140 0.000 2.146 1064 F HA -0.159 4.366 4.527 -0.003 0.000 0.298 1064 F C 2.007 177.763 175.800 -0.073 0.000 1.096 1064 F CA 1.342 59.287 58.000 -0.091 0.000 1.275 1064 F CB 0.082 39.049 39.000 -0.056 0.000 1.008 1064 F HN 0.082 nan 8.300 nan 0.000 0.480 1065 E N 0.263 120.326 120.200 -0.227 0.000 2.085 1065 E HA -0.294 4.054 4.350 -0.004 0.000 0.194 1065 E C 1.968 178.410 176.600 -0.263 0.000 0.994 1065 E CA 1.799 58.036 56.400 -0.271 0.000 0.801 1065 E CB -0.270 29.367 29.700 -0.106 0.000 0.743 1065 E HN 0.699 nan 8.360 nan 0.000 0.453 1066 E N 0.754 120.834 120.200 -0.200 0.000 2.106 1066 E HA -0.182 4.166 4.350 -0.004 0.000 0.192 1066 E C 1.937 178.428 176.600 -0.182 0.000 0.984 1066 E CA 1.113 57.415 56.400 -0.163 0.000 0.806 1066 E CB -0.340 29.282 29.700 -0.131 0.000 0.750 1066 E HN 0.214 nan 8.360 nan 0.000 0.458 1067 M N 0.807 120.271 119.600 -0.228 0.000 2.080 1067 M HA -0.164 4.314 4.480 -0.004 0.000 0.260 1067 M C 2.251 178.402 176.300 -0.248 0.000 1.068 1067 M CA 1.437 56.609 55.300 -0.212 0.000 1.109 1067 M CB -0.271 32.209 32.600 -0.200 0.000 1.342 1067 M HN 0.080 nan 8.290 nan 0.000 0.405 1068 V N -0.504 119.174 119.914 -0.393 0.000 2.295 1068 V HA -0.321 3.797 4.120 -0.004 0.000 0.246 1068 V C 2.465 178.457 176.094 -0.171 0.000 1.049 1068 V CA 1.887 63.994 62.300 -0.322 0.000 1.024 1068 V CB -0.727 30.832 31.823 -0.440 0.000 0.648 1068 V HN 0.697 nan 8.190 nan 0.000 0.447 1069 C N 0.994 120.201 119.300 -0.155 0.000 2.413 1069 C HA -0.169 4.288 4.460 -0.004 0.000 0.276 1069 C C 3.385 178.333 174.990 -0.069 0.000 1.248 1069 C CA 1.714 60.680 59.018 -0.086 0.000 1.742 1069 C CB -1.098 26.592 27.740 -0.082 0.000 2.017 1069 C HN 0.777 nan 8.230 nan 0.000 0.481 1070 S N -0.077 115.572 115.700 -0.084 0.000 2.402 1070 S HA -0.147 4.320 4.470 -0.004 0.000 0.229 1070 S C 1.821 176.389 174.600 -0.054 0.000 1.021 1070 S CA 1.694 59.858 58.200 -0.061 0.000 0.974 1070 S CB -0.762 62.401 63.200 -0.062 0.000 0.800 1070 S HN 0.767 nan 8.310 nan 0.000 0.484 1071 I N 0.773 121.302 120.570 -0.070 0.000 2.703 1071 I HA 0.033 4.201 4.170 -0.004 0.000 0.259 1071 I C 2.077 178.175 176.117 -0.032 0.000 1.151 1071 I CA 0.851 62.117 61.300 -0.057 0.000 1.470 1071 I CB -0.013 37.938 38.000 -0.081 0.000 1.112 1071 I HN 0.167 nan 8.210 nan 0.000 0.437 1072 E N 1.130 121.316 120.200 -0.024 0.000 2.285 1072 E HA -0.017 4.331 4.350 -0.004 0.000 0.194 1072 E C 1.418 178.024 176.600 0.010 0.000 0.997 1072 E CA 0.876 57.284 56.400 0.013 0.000 0.845 1072 E CB -0.163 29.556 29.700 0.033 0.000 0.782 1072 E HN 0.618 nan 8.360 nan 0.000 0.491 1073 G N 1.601 110.398 108.800 -0.005 0.000 2.246 1073 G HA2 -0.252 3.706 3.960 -0.004 0.000 0.273 1073 G HA3 -0.252 3.706 3.960 -0.004 0.000 0.273 1073 G C 0.322 175.222 174.900 0.001 0.000 1.055 1073 G CA 0.397 45.495 45.100 -0.004 0.000 0.851 1073 G HN 0.502 nan 8.290 nan 0.000 0.500 1074 A N -0.785 122.035 122.820 -0.000 0.000 2.242 1074 A HA 0.953 5.270 4.320 -0.004 0.000 0.304 1074 A C 1.574 179.159 177.584 0.002 0.000 1.100 1074 A CA 0.528 52.570 52.037 0.008 0.000 0.860 1074 A CB 0.770 19.780 19.000 0.017 0.000 1.168 1074 A HN 1.659 nan 8.150 nan 0.000 0.503 1075 A N -0.712 122.114 122.820 0.009 0.000 2.021 1075 A HA 0.495 4.813 4.320 -0.004 0.000 0.216 1075 A C 1.070 178.657 177.584 0.004 0.000 1.163 1075 A CA 1.427 53.468 52.037 0.006 0.000 0.676 1075 A CB -0.419 18.589 19.000 0.013 0.000 0.818 1075 A HN 2.167 nan 8.150 nan 0.000 0.453 1076 G N -2.292 106.516 108.800 0.013 0.000 2.519 1076 G HA2 0.487 4.444 3.960 -0.004 0.000 0.292 1076 G HA3 0.487 4.444 3.960 -0.004 0.000 0.292 1076 G C -1.189 173.724 174.900 0.022 0.000 1.507 1076 G CA 0.007 45.111 45.100 0.006 0.000 0.806 1076 G HN 0.237 nan 8.290 nan 0.000 0.523 1077 S N -1.179 114.521 115.700 0.001 0.000 2.600 1077 S HA 0.909 5.376 4.470 -0.004 0.000 0.300 1077 S C -0.208 174.401 174.600 0.016 0.000 1.087 1077 S CA -0.134 58.078 58.200 0.019 0.000 0.965 1077 S CB 1.893 65.067 63.200 -0.044 0.000 1.089 1077 S HN 1.697 nan 8.310 nan 0.000 0.496 1078 A N 1.106 123.965 122.820 0.064 0.000 2.374 1078 A HA 0.845 5.163 4.320 -0.004 0.000 0.305 1078 A C -0.343 177.173 177.584 -0.115 0.000 1.053 1078 A CA -0.695 51.302 52.037 -0.066 0.000 0.726 1078 A CB 0.982 19.943 19.000 -0.066 0.000 1.229 1078 A HN 1.021 nan 8.150 nan 0.000 0.431 1079 A N 1.523 124.228 122.820 -0.192 0.000 2.293 1079 A HA 0.895 5.213 4.320 -0.004 0.000 0.302 1079 A C -0.757 176.585 177.584 -0.403 0.000 1.119 1079 A CA -0.126 51.897 52.037 -0.023 0.000 0.823 1079 A CB 0.175 19.280 19.000 0.175 0.000 1.097 1079 A HN 0.787 nan 8.150 nan 0.000 0.491 1080 F N -0.782 119.251 119.950 0.138 0.000 2.650 1080 F HA 0.528 5.053 4.527 -0.004 0.000 0.320 1080 F C 1.478 177.319 175.800 0.068 0.000 1.091 1080 F CA -0.057 58.002 58.000 0.098 0.000 0.962 1080 F CB 1.849 40.913 39.000 0.106 0.000 1.363 1080 F HN 0.616 nan 8.300 nan 0.000 0.482 1081 G N -0.259 108.690 108.800 0.249 0.000 2.559 1081 G HA2 0.256 4.214 3.960 -0.004 0.000 0.216 1081 G HA3 0.256 4.214 3.960 -0.004 0.000 0.216 1081 G C -0.131 174.842 174.900 0.123 0.000 1.126 1081 G CA 0.938 46.120 45.100 0.137 0.000 0.778 1081 G HN 0.656 nan 8.290 nan 0.000 0.543 1082 S N -3.454 112.344 115.700 0.163 0.000 2.578 1082 S HA 0.513 4.980 4.470 -0.004 0.000 0.272 1082 S C 1.058 175.719 174.600 0.102 0.000 1.145 1082 S CA 0.223 58.486 58.200 0.104 0.000 0.835 1082 S CB 1.045 64.285 63.200 0.068 0.000 1.104 1082 S HN 0.461 nan 8.310 nan 0.000 0.458 1083 G N 1.271 110.111 108.800 0.066 0.000 2.513 1083 G HA2 -0.231 3.727 3.960 -0.004 0.000 0.219 1083 G HA3 -0.231 3.727 3.960 -0.004 0.000 0.219 1083 G C 1.188 176.088 174.900 0.001 0.000 1.160 1083 G CA 1.518 46.642 45.100 0.040 0.000 0.767 1083 G HN 0.598 nan 8.290 nan 0.000 0.571 1084 M N 1.154 120.762 119.600 0.013 0.000 2.202 1084 M HA -0.001 4.477 4.480 -0.004 0.000 0.262 1084 M C 2.755 179.026 176.300 -0.048 0.000 1.063 1084 M CA 1.027 56.329 55.300 0.004 0.000 1.097 1084 M CB -1.688 30.938 32.600 0.042 0.000 1.382 1084 M HN 0.280 nan 8.290 nan 0.000 0.413 1085 G N -0.324 108.450 108.800 -0.044 0.000 2.402 1085 G HA2 -0.037 3.921 3.960 -0.004 0.000 0.216 1085 G HA3 -0.037 3.921 3.960 -0.004 0.000 0.216 1085 G C 1.668 176.241 174.900 -0.545 0.000 1.162 1085 G CA 1.061 46.104 45.100 -0.094 0.000 0.777 1085 G HN 0.541 nan 8.290 nan 0.000 0.539 1086 A N 0.621 123.068 122.820 -0.621 0.000 1.930 1086 A HA 0.093 4.411 4.320 -0.004 0.000 0.217 1086 A C 2.391 179.718 177.584 -0.429 0.000 1.175 1086 A CA 1.192 52.673 52.037 -0.928 0.000 0.627 1086 A CB -0.307 18.549 19.000 -0.239 0.000 0.815 1086 A HN 0.376 nan 8.150 nan 0.000 0.443 1087 I N -0.588 119.876 120.570 -0.176 0.000 2.163 1087 I HA -0.208 3.959 4.170 -0.004 0.000 0.240 1087 I C 2.739 178.828 176.117 -0.047 0.000 1.081 1087 I CA 1.355 62.641 61.300 -0.024 0.000 1.353 1087 I CB -0.395 37.603 38.000 -0.003 0.000 1.054 1087 I HN 0.211 nan 8.210 nan 0.000 0.407 1088 S N 0.559 116.209 115.700 -0.084 0.000 2.365 1088 S HA -0.201 4.267 4.470 -0.004 0.000 0.225 1088 S C 2.116 176.596 174.600 -0.199 0.000 1.039 1088 S CA 2.045 60.213 58.200 -0.053 0.000 1.033 1088 S CB -0.271 62.940 63.200 0.018 0.000 0.887 1088 S HN 0.421 nan 8.310 nan 0.000 0.447 1089 S N 0.980 116.532 115.700 -0.247 0.000 2.481 1089 S HA 0.070 4.538 4.470 -0.004 0.000 0.231 1089 S C 1.756 176.192 174.600 -0.274 0.000 0.996 1089 S CA 0.454 58.441 58.200 -0.354 0.000 0.942 1089 S CB -0.054 63.171 63.200 0.042 0.000 0.768 1089 S HN 0.396 nan 8.310 nan 0.000 0.520 1090 S N 0.982 116.621 115.700 -0.102 0.000 2.548 1090 S HA 0.033 4.501 4.470 -0.004 0.000 0.215 1090 S C 1.916 176.652 174.600 0.226 0.000 0.976 1090 S CA 0.848 59.131 58.200 0.138 0.000 0.908 1090 S CB 0.049 63.348 63.200 0.164 0.000 0.781 1090 S HN 0.834 nan 8.310 nan 0.000 0.519 1091 T N -0.186 114.408 114.554 0.067 0.000 3.151 1091 T HA 0.283 4.631 4.350 -0.004 0.000 0.239 1091 T C 1.560 176.246 174.700 -0.023 0.000 0.979 1091 T CA -0.129 62.029 62.100 0.097 0.000 1.194 1091 T CB -0.642 68.284 68.868 0.096 0.000 0.982 1091 T HN 0.189 nan 8.240 nan 0.000 0.428 1092 L N 1.608 122.706 121.223 -0.209 0.000 2.465 1092 L HA 0.295 4.633 4.340 -0.004 0.000 0.224 1092 L C 2.979 179.523 176.870 -0.544 0.000 1.145 1092 L CA 0.606 55.276 54.840 -0.283 0.000 0.834 1092 L CB -0.530 41.419 42.059 -0.183 0.000 0.944 1092 L HN 0.434 nan 8.230 nan 0.000 0.451 1093 A N -0.334 121.983 122.820 -0.838 0.000 2.067 1093 A HA -0.085 4.233 4.320 -0.004 0.000 0.219 1093 A C 1.739 178.898 177.584 -0.710 0.000 1.158 1093 A CA 1.367 52.930 52.037 -0.790 0.000 0.661 1093 A CB -0.355 18.118 19.000 -0.879 0.000 0.801 1093 A HN 0.426 nan 8.150 nan 0.000 0.452 1094 F N -1.380 118.531 119.950 -0.066 0.000 2.667 1094 F HA 0.364 4.889 4.527 -0.004 0.000 0.288 1094 F C 0.479 176.274 175.800 -0.008 0.000 1.086 1094 F CA -0.431 57.564 58.000 -0.008 0.000 1.297 1094 F CB 0.076 39.075 39.000 -0.001 0.000 1.059 1094 F HN -0.130 nan 8.300 nan 0.000 0.624 1095 L N 2.613 123.913 121.223 0.129 0.000 2.349 1095 L HA 0.341 4.678 4.340 -0.004 0.000 0.275 1095 L C -0.051 176.855 176.870 0.061 0.000 1.115 1095 L CA -0.264 54.621 54.840 0.075 0.000 0.820 1095 L CB 0.936 43.013 42.059 0.029 0.000 1.135 1095 L HN 0.215 nan 8.230 nan 0.000 0.445 1096 Q N 2.594 122.432 119.800 0.063 0.000 2.587 1096 Q HA 0.401 4.739 4.340 -0.004 0.000 0.293 1096 Q C -0.911 175.129 176.000 0.066 0.000 1.083 1096 Q CA -1.178 54.663 55.803 0.063 0.000 0.792 1096 Q CB 1.767 30.539 28.738 0.057 0.000 1.484 1096 Q HN 0.359 nan 8.270 nan 0.000 0.446 1097 K N -0.468 119.975 120.400 0.072 0.000 2.530 1097 K HA 0.066 4.383 4.320 -0.004 0.000 0.280 1097 K C 0.570 177.201 176.600 0.050 0.000 1.004 1097 K CA 1.827 58.155 56.287 0.069 0.000 1.071 1097 K CB -0.518 32.023 32.500 0.068 0.000 0.876 1097 K HN 0.916 nan 8.250 nan 0.000 0.487 1098 G N 3.194 112.020 108.800 0.043 0.000 2.234 1098 G HA2 -0.206 3.751 3.960 -0.004 0.000 0.235 1098 G HA3 -0.206 3.751 3.960 -0.004 0.000 0.235 1098 G C -0.257 174.664 174.900 0.035 0.000 0.997 1098 G CA 0.198 45.318 45.100 0.033 0.000 0.623 1098 G HN 0.711 nan 8.290 nan 0.000 0.514 1099 D N 0.165 120.589 120.400 0.040 0.000 2.344 1099 D HA 0.560 5.197 4.640 -0.004 0.000 0.244 1099 D C 0.179 176.510 176.300 0.051 0.000 1.134 1099 D CA 0.181 54.203 54.000 0.037 0.000 0.930 1099 D CB 0.979 41.794 40.800 0.025 0.000 1.175 1099 D HN 0.431 nan 8.370 nan 0.000 0.437 1100 H N 0.103 119.113 119.070 -0.099 0.000 2.529 1100 H HA 0.500 5.053 4.556 -0.004 0.000 0.348 1100 H C -1.575 173.630 175.328 -0.205 0.000 1.079 1100 H CA -0.928 55.031 56.048 -0.148 0.000 1.198 1100 H CB 0.844 30.510 29.762 -0.161 0.000 1.521 1100 H HN 0.139 nan 8.280 nan 0.000 0.514 1101 L N 6.139 126.990 121.223 -0.621 0.000 2.307 1101 L HA 0.501 4.839 4.340 -0.004 0.000 0.284 1101 L C -1.305 175.059 176.870 -0.844 0.000 1.023 1101 L CA -0.385 54.068 54.840 -0.645 0.000 0.810 1101 L CB 0.822 42.575 42.059 -0.511 0.000 1.231 1101 L HN 0.721 nan 8.230 nan 0.000 0.423 1102 I N 5.393 125.561 120.570 -0.670 0.000 2.315 1102 I HA 0.638 4.806 4.170 -0.004 0.000 0.291 1102 I C 0.126 176.108 176.117 -0.224 0.000 1.006 1102 I CA -0.257 60.793 61.300 -0.417 0.000 1.265 1102 I CB 1.349 39.148 38.000 -0.336 0.000 1.387 1102 I HN 0.834 nan 8.210 nan 0.000 0.475 1103 A N 4.677 127.418 122.820 -0.130 0.000 2.384 1103 A HA 0.815 5.133 4.320 -0.004 0.000 0.312 1103 A C 0.141 177.792 177.584 0.112 0.000 1.113 1103 A CA -0.632 51.437 52.037 0.052 0.000 0.779 1103 A CB 1.160 20.211 19.000 0.085 0.000 1.307 1103 A HN 0.746 nan 8.150 nan 0.000 0.436 1104 G N 0.114 109.025 108.800 0.185 0.000 2.484 1104 G HA2 0.303 4.260 3.960 -0.004 0.000 0.235 1104 G HA3 0.303 4.260 3.960 -0.004 0.000 0.235 1104 G C 0.264 175.237 174.900 0.122 0.000 1.282 1104 G CA 0.545 45.726 45.100 0.134 0.000 0.857 1104 G HN 0.842 nan 8.290 nan 0.000 0.571 1105 D N -1.037 119.411 120.400 0.080 0.000 2.363 1105 D HA -0.033 4.605 4.640 -0.004 0.000 0.220 1105 D C 1.133 177.469 176.300 0.059 0.000 0.994 1105 D CA 0.700 54.738 54.000 0.064 0.000 0.890 1105 D CB -0.088 40.737 40.800 0.042 0.000 0.906 1105 D HN 0.376 nan 8.370 nan 0.000 0.530 1106 T N -1.097 113.497 114.554 0.065 0.000 2.892 1106 T HA 0.654 5.002 4.350 -0.004 0.000 0.311 1106 T C -0.362 174.385 174.700 0.078 0.000 1.033 1106 T CA -0.873 61.257 62.100 0.051 0.000 0.991 1106 T CB 0.900 69.780 68.868 0.020 0.000 0.981 1106 T HN 0.053 nan 8.240 nan 0.000 0.457 1107 L N 2.201 123.490 121.223 0.110 0.000 2.359 1107 L HA 0.537 4.875 4.340 -0.004 0.000 0.256 1107 L C -0.556 176.431 176.870 0.195 0.000 1.026 1107 L CA -1.839 53.080 54.840 0.131 0.000 0.828 1107 L CB 1.697 43.816 42.059 0.100 0.000 1.406 1107 L HN 0.636 nan 8.230 nan 0.000 0.413 1108 Y N 1.038 121.363 120.300 0.041 0.000 3.032 1108 Y HA -0.096 4.451 4.550 -0.004 0.000 0.344 1108 Y C 1.280 177.071 175.900 -0.180 0.000 1.273 1108 Y CA 0.869 58.942 58.100 -0.045 0.000 1.588 1108 Y CB 0.943 39.373 38.460 -0.050 0.000 1.209 1108 Y HN 0.699 nan 8.280 nan 0.000 0.597 1109 G N 3.542 111.615 108.800 -1.212 0.000 2.469 1109 G HA2 -0.295 3.663 3.960 -0.004 0.000 0.219 1109 G HA3 -0.295 3.663 3.960 -0.004 0.000 0.219 1109 G C 1.447 175.891 174.900 -0.761 0.000 1.150 1109 G CA 1.093 45.639 45.100 -0.924 0.000 0.763 1109 G HN 0.801 nan 8.290 nan 0.000 0.561 1110 C N 0.504 119.144 119.300 -1.100 0.000 2.468 1110 C HA 0.091 4.549 4.460 -0.004 0.000 0.277 1110 C C 3.135 177.942 174.990 -0.305 0.000 1.400 1110 C CA 1.153 59.880 59.018 -0.484 0.000 1.770 1110 C CB -0.850 26.755 27.740 -0.224 0.000 1.905 1110 C HN 0.441 nan 8.230 nan 0.000 0.519 1111 T N 1.155 115.507 114.554 -0.337 0.000 2.777 1111 T HA -0.126 4.222 4.350 -0.004 0.000 0.266 1111 T C 1.912 176.249 174.700 -0.604 0.000 1.040 1111 T CA 1.426 63.214 62.100 -0.520 0.000 1.141 1111 T CB -0.280 68.320 68.868 -0.446 0.000 0.868 1111 T HN 0.361 nan 8.240 nan 0.000 0.444 1112 V N 1.440 121.144 119.914 -0.350 0.000 2.332 1112 V HA -0.187 3.930 4.120 -0.004 0.000 0.248 1112 V C 2.735 178.746 176.094 -0.137 0.000 1.055 1112 V CA 1.989 64.180 62.300 -0.181 0.000 1.038 1112 V CB -0.866 30.887 31.823 -0.116 0.000 0.651 1112 V HN 0.513 nan 8.190 nan 0.000 0.450 1113 S N -0.162 115.436 115.700 -0.170 0.000 2.348 1113 S HA -0.213 4.255 4.470 -0.004 0.000 0.221 1113 S C 1.994 176.606 174.600 0.020 0.000 1.033 1113 S CA 2.044 60.189 58.200 -0.093 0.000 1.010 1113 S CB -0.411 62.730 63.200 -0.099 0.000 0.891 1113 S HN 0.433 nan 8.310 nan 0.000 0.442 1114 L N 0.896 122.141 121.223 0.036 0.000 2.013 1114 L HA -0.038 4.300 4.340 -0.004 0.000 0.212 1114 L C 2.062 179.093 176.870 0.269 0.000 1.073 1114 L CA 2.092 57.052 54.840 0.201 0.000 0.753 1114 L CB -0.889 41.160 42.059 -0.016 0.000 0.890 1114 L HN 0.526 nan 8.230 nan 0.000 0.432 1115 F N -1.159 118.780 119.950 -0.018 0.000 2.293 1115 F HA -0.132 4.393 4.527 -0.004 0.000 0.297 1115 F C 2.241 178.000 175.800 -0.069 0.000 1.089 1115 F CA 0.826 58.788 58.000 -0.064 0.000 1.377 1115 F CB -0.347 38.585 39.000 -0.114 0.000 1.051 1115 F HN 0.334 nan 8.300 nan 0.000 0.511 1116 T N -4.566 110.058 114.554 0.117 0.000 3.015 1116 T HA -0.028 4.320 4.350 -0.004 0.000 0.250 1116 T C 1.566 176.230 174.700 -0.061 0.000 1.057 1116 T CA 0.418 62.527 62.100 0.015 0.000 1.066 1116 T CB -0.212 68.658 68.868 0.004 0.000 0.959 1116 T HN 0.312 nan 8.240 nan 0.000 0.488 1117 H N -0.783 118.158 119.070 -0.215 0.000 2.393 1117 H HA 0.169 4.722 4.556 -0.004 0.000 0.307 1117 H C 1.480 176.487 175.328 -0.535 0.000 1.038 1117 H CA 0.511 56.288 56.048 -0.453 0.000 1.351 1117 H CB 0.064 29.415 29.762 -0.685 0.000 1.464 1117 H HN 0.419 nan 8.280 nan 0.000 0.575 1118 W N 1.427 122.656 121.300 -0.120 0.000 2.441 1118 W HA 0.027 4.684 4.660 -0.004 0.000 0.302 1118 W C 2.647 178.830 176.519 -0.560 0.000 1.191 1118 W CA 0.101 57.234 57.345 -0.354 0.000 1.327 1118 W CB -0.307 29.087 29.460 -0.109 0.000 1.128 1118 W HN 0.048 nan 8.180 nan 0.000 0.522 1119 L N 0.206 121.431 121.223 0.003 0.000 2.042 1119 L HA -0.170 4.168 4.340 -0.004 0.000 0.210 1119 L C -0.490 176.327 176.870 -0.089 0.000 1.076 1119 L CA 1.506 56.357 54.840 0.017 0.000 0.749 1119 L CB -2.442 39.657 42.059 0.068 0.000 0.893 1119 L HN -0.061 nan 8.230 nan 0.000 0.432 1120 P HA -0.126 nan 4.420 nan 0.000 0.218 1120 P C 1.449 178.643 177.300 -0.177 0.000 1.149 1120 P CA 1.233 64.251 63.100 -0.136 0.000 0.817 1120 P CB -0.078 31.528 31.700 -0.157 0.000 0.785 1121 R N -1.444 118.849 120.500 -0.345 0.000 2.193 1121 R HA -0.017 4.321 4.340 -0.004 0.000 0.229 1121 R C 1.410 177.635 176.300 -0.127 0.000 1.110 1121 R CA 1.006 56.906 56.100 -0.334 0.000 0.988 1121 R CB -0.572 29.421 30.300 -0.511 0.000 0.871 1121 R HN 0.310 nan 8.270 nan 0.000 0.458 1122 F N -0.769 119.213 119.950 0.053 0.000 2.660 1122 F HA 0.261 4.786 4.527 -0.004 0.000 0.302 1122 F C 1.357 177.175 175.800 0.031 0.000 1.103 1122 F CA -0.105 57.928 58.000 0.055 0.000 1.340 1122 F CB 1.008 40.054 39.000 0.077 0.000 1.048 1122 F HN 0.139 nan 8.300 nan 0.000 0.551 1123 G N 1.519 110.401 108.800 0.136 0.000 2.141 1123 G HA2 -0.298 3.660 3.960 -0.004 0.000 0.242 1123 G HA3 -0.298 3.660 3.960 -0.004 0.000 0.242 1123 G C 0.014 174.953 174.900 0.064 0.000 0.982 1123 G CA -0.383 44.766 45.100 0.082 0.000 0.662 1123 G HN 0.315 nan 8.290 nan 0.000 0.527 1124 I N 1.179 121.789 120.570 0.066 0.000 2.365 1124 I HA 0.374 4.542 4.170 -0.004 0.000 0.291 1124 I C 0.432 176.551 176.117 0.004 0.000 1.004 1124 I CA -0.585 60.737 61.300 0.036 0.000 1.311 1124 I CB 1.170 39.195 38.000 0.040 0.000 1.401 1124 I HN 0.111 nan 8.210 nan 0.000 0.491 1125 E N 5.190 125.402 120.200 0.020 0.000 2.249 1125 E HA 0.519 4.866 4.350 -0.004 0.000 0.280 1125 E C -1.172 175.446 176.600 0.030 0.000 1.016 1125 E CA -0.564 55.867 56.400 0.052 0.000 0.830 1125 E CB 2.055 31.820 29.700 0.107 0.000 1.081 1125 E HN 0.245 nan 8.360 nan 0.000 0.395 1126 V N 3.421 123.331 119.914 -0.007 0.000 2.577 1126 V HA 0.276 4.394 4.120 -0.004 0.000 0.303 1126 V C -0.820 175.252 176.094 -0.037 0.000 1.042 1126 V CA -0.903 61.329 62.300 -0.114 0.000 0.872 1126 V CB 2.039 33.780 31.823 -0.137 0.000 0.998 1126 V HN 0.676 nan 8.190 nan 0.000 0.423 1127 D N 4.245 124.603 120.400 -0.070 0.000 2.505 1127 D HA 0.519 5.157 4.640 -0.004 0.000 0.249 1127 D C -0.773 175.509 176.300 -0.031 0.000 1.082 1127 D CA -0.317 53.684 54.000 0.003 0.000 0.839 1127 D CB 2.903 43.760 40.800 0.095 0.000 1.317 1127 D HN 0.317 nan 8.370 nan 0.000 0.497 1128 L N 3.089 124.316 121.223 0.008 0.000 2.264 1128 L HA 0.456 4.793 4.340 -0.004 0.000 0.289 1128 L C -0.241 176.649 176.870 0.032 0.000 1.044 1128 L CA -0.534 54.325 54.840 0.030 0.000 0.807 1128 L CB 0.907 42.996 42.059 0.050 0.000 1.192 1128 L HN 0.158 nan 8.230 nan 0.000 0.425 1129 I N 1.985 122.578 120.570 0.037 0.000 2.730 1129 I HA 0.191 4.359 4.170 -0.004 0.000 0.298 1129 I C -0.250 175.893 176.117 0.044 0.000 1.089 1129 I CA -0.641 60.682 61.300 0.039 0.000 1.041 1129 I CB 2.199 40.224 38.000 0.042 0.000 1.235 1129 I HN 0.474 nan 8.210 nan 0.000 0.423 1130 D N 3.114 123.536 120.400 0.038 0.000 2.357 1130 D HA 0.023 4.661 4.640 -0.004 0.000 0.265 1130 D C 1.224 177.548 176.300 0.040 0.000 1.334 1130 D CA 0.170 54.191 54.000 0.035 0.000 0.984 1130 D CB 0.542 41.357 40.800 0.025 0.000 1.077 1130 D HN 0.628 nan 8.370 nan 0.000 0.514 1131 T N -0.579 114.002 114.554 0.045 0.000 3.148 1131 T HA -0.093 4.255 4.350 -0.004 0.000 0.253 1131 T C 1.698 176.420 174.700 0.038 0.000 1.134 1131 T CA 0.466 62.595 62.100 0.047 0.000 1.051 1131 T CB -0.265 68.634 68.868 0.051 0.000 0.959 1131 T HN 0.242 nan 8.240 nan 0.000 0.525 1132 S N 0.390 116.109 115.700 0.031 0.000 2.555 1132 S HA -0.004 4.464 4.470 -0.004 0.000 0.230 1132 S C 0.414 175.024 174.600 0.016 0.000 0.978 1132 S CA 0.070 58.283 58.200 0.022 0.000 0.934 1132 S CB -0.276 62.931 63.200 0.010 0.000 0.766 1132 S HN 0.497 nan 8.310 nan 0.000 0.533 1133 D N 0.793 121.206 120.400 0.021 0.000 2.469 1133 D HA 0.241 4.879 4.640 -0.004 0.000 0.251 1133 D C 0.658 176.975 176.300 0.028 0.000 1.173 1133 D CA -0.537 53.474 54.000 0.019 0.000 0.882 1133 D CB 1.704 42.513 40.800 0.016 0.000 1.129 1133 D HN -0.057 nan 8.370 nan 0.000 0.549 1134 V N 4.456 124.383 119.914 0.022 0.000 2.568 1134 V HA -0.165 3.953 4.120 -0.004 0.000 0.253 1134 V C 1.635 177.747 176.094 0.030 0.000 1.072 1134 V CA 1.789 64.104 62.300 0.026 0.000 1.084 1134 V CB -0.066 31.759 31.823 0.003 0.000 0.676 1134 V HN 0.466 nan 8.190 nan 0.000 0.469 1135 E N 0.179 120.391 120.200 0.021 0.000 2.106 1135 E HA -0.198 4.150 4.350 -0.004 0.000 0.192 1135 E C 2.214 178.840 176.600 0.044 0.000 0.984 1135 E CA 1.262 57.675 56.400 0.022 0.000 0.806 1135 E CB -0.263 29.444 29.700 0.011 0.000 0.750 1135 E HN 0.646 nan 8.360 nan 0.000 0.458 1136 K N 0.445 120.873 120.400 0.048 0.000 2.097 1136 K HA -0.053 4.265 4.320 -0.004 0.000 0.205 1136 K C 2.231 178.888 176.600 0.096 0.000 1.050 1136 K CA 0.866 57.189 56.287 0.060 0.000 0.938 1136 K CB -0.029 32.499 32.500 0.046 0.000 0.718 1136 K HN -0.054 nan 8.250 nan 0.000 0.442 1137 V N 1.976 121.959 119.914 0.115 0.000 2.295 1137 V HA -0.264 3.854 4.120 -0.004 0.000 0.246 1137 V C 2.033 178.309 176.094 0.303 0.000 1.049 1137 V CA 1.745 64.162 62.300 0.195 0.000 1.024 1137 V CB -0.369 31.572 31.823 0.198 0.000 0.648 1137 V HN 0.294 nan 8.190 nan 0.000 0.447 1138 K N 0.277 120.791 120.400 0.191 0.000 2.097 1138 K HA -0.084 4.233 4.320 -0.004 0.000 0.205 1138 K C 2.290 178.998 176.600 0.180 0.000 1.050 1138 K CA 1.380 57.757 56.287 0.150 0.000 0.938 1138 K CB -0.397 32.102 32.500 -0.001 0.000 0.718 1138 K HN 0.471 nan 8.250 nan 0.000 0.442 1139 A N 1.459 124.357 122.820 0.129 0.000 1.972 1139 A HA -0.070 4.247 4.320 -0.004 0.000 0.219 1139 A C 2.237 179.900 177.584 0.132 0.000 1.169 1139 A CA 1.710 53.810 52.037 0.105 0.000 0.635 1139 A CB -0.462 18.577 19.000 0.066 0.000 0.810 1139 A HN 0.319 nan 8.150 nan 0.000 0.446 1140 A N -2.210 120.709 122.820 0.165 0.000 2.238 1140 A HA 0.107 4.425 4.320 -0.004 0.000 0.208 1140 A C 0.776 178.485 177.584 0.209 0.000 1.177 1140 A CA -0.348 51.782 52.037 0.155 0.000 0.804 1140 A CB -0.322 18.760 19.000 0.136 0.000 0.823 1140 A HN 0.660 nan 8.150 nan 0.000 0.482 1141 W N 1.693 123.033 121.300 0.065 0.000 2.218 1141 W HA 0.353 5.011 4.660 -0.004 0.000 0.326 1141 W C -0.384 176.147 176.519 0.019 0.000 1.276 1141 W CA 0.332 57.723 57.345 0.076 0.000 1.210 1141 W CB 0.572 30.058 29.460 0.044 0.000 1.143 1141 W HN 0.111 nan 8.180 nan 0.000 0.563 1142 K N 4.221 124.686 120.400 0.109 0.000 2.433 1142 K HA 0.292 4.610 4.320 -0.004 0.000 0.252 1142 K C -1.852 174.825 176.600 0.128 0.000 1.015 1142 K CA -1.603 54.706 56.287 0.037 0.000 0.860 1142 K CB 1.548 33.918 32.500 -0.217 0.000 1.359 1142 K HN 0.005 nan 8.250 nan 0.000 0.452 1143 P HA -0.146 nan 4.420 nan 0.000 0.222 1143 P C 0.368 177.719 177.300 0.086 0.000 1.147 1143 P CA 1.209 64.373 63.100 0.106 0.000 0.790 1143 P CB 0.074 31.810 31.700 0.059 0.000 0.780 1144 N N -1.891 116.829 118.700 0.034 0.000 2.268 1144 N HA 0.003 4.740 4.740 -0.004 0.000 0.204 1144 N C -0.392 175.138 175.510 0.032 0.000 1.124 1144 N CA 0.232 53.301 53.050 0.032 0.000 0.838 1144 N CB -0.999 37.497 38.487 0.015 0.000 0.994 1144 N HN -0.096 nan 8.380 nan 0.000 0.489 1145 T N 1.725 116.272 114.554 -0.011 0.000 2.829 1145 T HA 0.103 4.451 4.350 -0.004 0.000 0.293 1145 T C 0.963 175.579 174.700 -0.141 0.000 0.970 1145 T CA -0.001 61.997 62.100 -0.171 0.000 1.168 1145 T CB 1.200 69.617 68.868 -0.751 0.000 0.911 1145 T HN 0.089 nan 8.240 nan 0.000 0.535 1146 K N 2.172 122.488 120.400 -0.140 0.000 2.380 1146 K HA 0.332 4.649 4.320 -0.004 0.000 0.198 1146 K C 0.245 176.786 176.600 -0.099 0.000 1.070 1146 K CA 0.184 56.433 56.287 -0.064 0.000 1.040 1146 K CB 0.699 33.188 32.500 -0.018 0.000 0.903 1146 K HN 0.610 nan 8.250 nan 0.000 0.549 1147 M N 0.570 120.049 119.600 -0.202 0.000 2.414 1147 M HA 0.260 4.738 4.480 -0.004 0.000 0.287 1147 M C -1.909 174.242 176.300 -0.248 0.000 1.181 1147 M CA -0.616 54.581 55.300 -0.172 0.000 0.933 1147 M CB 2.278 34.806 32.600 -0.121 0.000 1.732 1147 M HN -0.301 nan 8.290 nan 0.000 0.486 1148 V N 3.825 123.656 119.914 -0.138 0.000 2.487 1148 V HA 0.464 4.581 4.120 -0.004 0.000 0.298 1148 V C -1.593 174.503 176.094 0.004 0.000 1.028 1148 V CA -0.575 61.665 62.300 -0.100 0.000 0.860 1148 V CB 1.735 33.538 31.823 -0.034 0.000 0.991 1148 V HN 0.771 nan 8.190 nan 0.000 0.427 1149 Y N 5.827 126.074 120.300 -0.087 0.000 2.328 1149 Y HA 0.765 5.313 4.550 -0.004 0.000 0.336 1149 Y C -0.840 175.089 175.900 0.049 0.000 0.960 1149 Y CA -0.643 57.460 58.100 0.004 0.000 1.134 1149 Y CB 1.274 39.764 38.460 0.050 0.000 1.166 1149 Y HN 0.537 nan 8.280 nan 0.000 0.464 1150 L N 5.226 126.251 121.223 -0.329 0.000 2.341 1150 L HA 0.587 4.925 4.340 -0.004 0.000 0.267 1150 L C -0.871 175.843 176.870 -0.260 0.000 1.009 1150 L CA -0.998 53.751 54.840 -0.151 0.000 0.819 1150 L CB 2.402 44.406 42.059 -0.093 0.000 1.323 1150 L HN 0.551 nan 8.230 nan 0.000 0.425 1151 E N 1.028 121.190 120.200 -0.064 0.000 2.199 1151 E HA 0.532 4.880 4.350 -0.004 0.000 0.265 1151 E C -1.520 175.062 176.600 -0.030 0.000 0.882 1151 E CA -0.227 56.139 56.400 -0.057 0.000 0.759 1151 E CB 2.220 31.925 29.700 0.009 0.000 1.148 1151 E HN 0.439 nan 8.360 nan 0.000 0.412 1152 S N 4.122 119.810 115.700 -0.019 0.000 2.603 1152 S HA 0.465 4.933 4.470 -0.004 0.000 0.274 1152 S C -2.824 171.821 174.600 0.074 0.000 1.168 1152 S CA -1.393 56.823 58.200 0.028 0.000 0.963 1152 S CB 1.209 64.431 63.200 0.036 0.000 1.078 1152 S HN 0.221 nan 8.310 nan 0.000 0.477 1153 P HA 0.299 nan 4.420 nan 0.000 0.268 1153 P C -0.791 176.473 177.300 -0.059 0.000 1.205 1153 P CA -0.175 62.988 63.100 0.105 0.000 0.771 1153 P CB 0.455 32.265 31.700 0.183 0.000 0.858 1154 A N 2.921 125.700 122.820 -0.068 0.000 2.445 1154 A HA 0.169 4.487 4.320 -0.004 0.000 0.242 1154 A C 0.503 177.841 177.584 -0.411 0.000 1.075 1154 A CA -0.100 51.833 52.037 -0.173 0.000 0.777 1154 A CB -0.279 18.698 19.000 -0.038 0.000 1.013 1154 A HN 0.563 nan 8.150 nan 0.000 0.493 1155 N N 1.769 120.168 118.700 -0.502 0.000 2.408 1155 N HA 0.370 5.107 4.740 -0.004 0.000 0.257 1155 N C -2.174 173.300 175.510 -0.060 0.000 1.064 1155 N CA -2.068 50.712 53.050 -0.449 0.000 0.952 1155 N CB 1.355 39.653 38.487 -0.315 0.000 1.093 1155 N HN 0.290 nan 8.380 nan 0.000 0.490 1156 P HA 0.162 nan 4.420 nan 0.000 0.291 1156 P C 0.382 177.716 177.300 0.058 0.000 1.341 1156 P CA 0.191 63.307 63.100 0.027 0.000 0.999 1156 P CB 0.268 31.966 31.700 -0.004 0.000 1.501 1157 T N -4.480 110.078 114.554 0.006 0.000 3.129 1157 T HA 0.052 4.399 4.350 -0.004 0.000 0.251 1157 T C 1.007 175.821 174.700 0.190 0.000 1.117 1157 T CA 0.249 62.405 62.100 0.093 0.000 1.034 1157 T CB -1.494 67.420 68.868 0.076 0.000 0.968 1157 T HN 0.034 nan 8.240 nan 0.000 0.526 1158 C N 0.915 120.299 119.300 0.140 0.000 4.400 1158 C HA -0.140 4.318 4.460 -0.004 0.000 0.275 1158 C C 0.734 175.916 174.990 0.320 0.000 1.391 1158 C CA 0.261 59.375 59.018 0.160 0.000 1.816 1158 C CB -2.598 25.137 27.740 -0.009 0.000 1.404 1158 C HN 0.824 nan 8.230 nan 0.000 0.754 1159 K N 0.880 121.447 120.400 0.279 0.000 2.491 1159 K HA 0.251 4.569 4.320 -0.004 0.000 0.279 1159 K C 0.060 176.777 176.600 0.194 0.000 1.026 1159 K CA 0.333 56.765 56.287 0.240 0.000 1.070 1159 K CB 0.478 33.045 32.500 0.112 0.000 0.887 1159 K HN 0.325 nan 8.250 nan 0.000 0.481 1160 V N 4.033 124.071 119.914 0.208 0.000 2.439 1160 V HA 0.157 4.275 4.120 -0.004 0.000 0.282 1160 V C -0.109 176.038 176.094 0.087 0.000 1.039 1160 V CA -0.496 61.902 62.300 0.163 0.000 0.913 1160 V CB 1.577 33.524 31.823 0.207 0.000 0.983 1160 V HN 0.804 nan 8.190 nan 0.000 0.460 1161 S N 2.381 118.122 115.700 0.068 0.000 2.565 1161 S HA 0.299 4.767 4.470 -0.004 0.000 0.290 1161 S C -0.294 174.327 174.600 0.036 0.000 1.150 1161 S CA -0.511 57.715 58.200 0.043 0.000 1.058 1161 S CB 1.386 64.606 63.200 0.033 0.000 1.032 1161 S HN 0.863 nan 8.310 nan 0.000 0.510 1162 D N 1.964 122.379 120.400 0.025 0.000 2.470 1162 D HA 0.203 4.841 4.640 -0.004 0.000 0.226 1162 D C 0.931 177.233 176.300 0.004 0.000 1.196 1162 D CA -0.169 53.840 54.000 0.015 0.000 0.979 1162 D CB -0.241 40.564 40.800 0.008 0.000 1.059 1162 D HN 0.427 nan 8.370 nan 0.000 0.515 1163 I N 2.528 123.099 120.570 0.003 0.000 2.179 1163 I HA -0.242 3.926 4.170 -0.004 0.000 0.242 1163 I C 2.397 178.499 176.117 -0.026 0.000 1.088 1163 I CA 0.813 62.106 61.300 -0.011 0.000 1.357 1163 I CB 0.003 37.999 38.000 -0.006 0.000 1.051 1163 I HN 0.301 nan 8.210 nan 0.000 0.409 1164 K N 0.816 121.205 120.400 -0.019 0.000 2.026 1164 K HA -0.147 4.170 4.320 -0.004 0.000 0.208 1164 K C 2.159 178.729 176.600 -0.051 0.000 1.048 1164 K CA 1.616 57.887 56.287 -0.027 0.000 0.929 1164 K CB -0.501 31.993 32.500 -0.010 0.000 0.713 1164 K HN 0.410 nan 8.250 nan 0.000 0.439 1165 G N 0.986 109.764 108.800 -0.037 0.000 2.440 1165 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.218 1165 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.218 1165 G C 1.466 176.328 174.900 -0.063 0.000 1.154 1165 G CA 0.969 46.043 45.100 -0.044 0.000 0.767 1165 G HN 0.225 nan 8.290 nan 0.000 0.552 1166 I N 1.188 121.731 120.570 -0.045 0.000 2.353 1166 I HA -0.068 4.100 4.170 -0.004 0.000 0.248 1166 I C 3.239 179.301 176.117 -0.091 0.000 1.119 1166 I CA 0.706 61.990 61.300 -0.026 0.000 1.417 1166 I CB -0.112 37.900 38.000 0.020 0.000 1.078 1166 I HN 0.236 nan 8.210 nan 0.000 0.421 1167 A N 0.536 123.255 122.820 -0.169 0.000 1.908 1167 A HA -0.181 4.136 4.320 -0.004 0.000 0.218 1167 A C 2.429 179.597 177.584 -0.692 0.000 1.181 1167 A CA 1.855 53.642 52.037 -0.416 0.000 0.627 1167 A CB -1.018 17.770 19.000 -0.353 0.000 0.818 1167 A HN 0.233 nan 8.150 nan 0.000 0.445 1168 V N -0.232 119.460 119.914 -0.370 0.000 2.324 1168 V HA -0.274 3.843 4.120 -0.004 0.000 0.250 1168 V C 2.587 178.561 176.094 -0.200 0.000 1.060 1168 V CA 2.178 64.343 62.300 -0.225 0.000 1.042 1168 V CB -0.840 30.921 31.823 -0.102 0.000 0.650 1168 V HN 0.410 nan 8.190 nan 0.000 0.450 1169 V N -1.130 118.654 119.914 -0.217 0.000 2.307 1169 V HA -0.265 3.853 4.120 -0.004 0.000 0.245 1169 V C 2.532 178.465 176.094 -0.267 0.000 1.045 1169 V CA 2.074 64.186 62.300 -0.312 0.000 1.024 1169 V CB -0.924 30.659 31.823 -0.400 0.000 0.651 1169 V HN 0.640 nan 8.190 nan 0.000 0.449 1170 C N -0.019 119.243 119.300 -0.063 0.000 2.401 1170 C HA -0.214 4.244 4.460 -0.004 0.000 0.276 1170 C C 2.565 177.645 174.990 0.149 0.000 1.233 1170 C CA 1.374 60.492 59.018 0.165 0.000 1.753 1170 C CB -1.518 26.307 27.740 0.142 0.000 2.029 1170 C HN 0.657 nan 8.230 nan 0.000 0.478 1171 H N 0.047 119.129 119.070 0.020 0.000 2.389 1171 H HA -0.112 4.442 4.556 -0.004 0.000 0.299 1171 H C 2.191 177.511 175.328 -0.014 0.000 1.081 1171 H CA 1.196 57.246 56.048 0.004 0.000 1.345 1171 H CB -0.068 29.688 29.762 -0.010 0.000 1.393 1171 H HN 0.601 nan 8.280 nan 0.000 0.520 1172 E N 0.505 120.747 120.200 0.070 0.000 2.274 1172 E HA -0.050 4.297 4.350 -0.004 0.000 0.194 1172 E C 1.465 178.053 176.600 -0.021 0.000 0.996 1172 E CA 0.445 56.842 56.400 -0.005 0.000 0.840 1172 E CB 0.285 29.939 29.700 -0.077 0.000 0.772 1172 E HN 0.391 nan 8.360 nan 0.000 0.491 1173 R N -0.908 119.587 120.500 -0.008 0.000 2.508 1173 R HA 0.161 4.498 4.340 -0.004 0.000 0.300 1173 R C 0.553 176.959 176.300 0.176 0.000 0.970 1173 R CA 0.418 56.541 56.100 0.040 0.000 1.102 1173 R CB 1.302 31.542 30.300 -0.101 0.000 1.246 1173 R HN 0.139 nan 8.270 nan 0.000 0.539 1174 G N 1.206 110.097 108.800 0.152 0.000 2.160 1174 G HA2 -0.287 3.671 3.960 -0.004 0.000 0.244 1174 G HA3 -0.287 3.671 3.960 -0.004 0.000 0.244 1174 G C -0.033 174.964 174.900 0.163 0.000 1.022 1174 G CA 0.220 45.403 45.100 0.138 0.000 0.741 1174 G HN 0.460 nan 8.290 nan 0.000 0.508 1175 A N -0.312 122.648 122.820 0.233 0.000 2.325 1175 A HA 0.863 5.180 4.320 -0.004 0.000 0.333 1175 A C 0.594 178.237 177.584 0.099 0.000 1.155 1175 A CA -0.588 51.551 52.037 0.169 0.000 0.814 1175 A CB 0.809 19.959 19.000 0.251 0.000 1.206 1175 A HN 0.456 nan 8.150 nan 0.000 0.482 1176 R N 0.181 120.680 120.500 -0.002 0.000 2.490 1176 R HA 0.335 4.673 4.340 -0.004 0.000 0.280 1176 R C -0.961 175.328 176.300 -0.019 0.000 1.077 1176 R CA -0.426 55.644 56.100 -0.050 0.000 1.065 1176 R CB 0.728 30.909 30.300 -0.197 0.000 1.003 1176 R HN 0.540 nan 8.270 nan 0.000 0.470 1177 L N 3.873 125.095 121.223 -0.002 0.000 2.287 1177 L HA 0.358 4.696 4.340 -0.004 0.000 0.287 1177 L C -1.142 175.705 176.870 -0.038 0.000 1.022 1177 L CA -0.409 54.424 54.840 -0.011 0.000 0.814 1177 L CB 1.814 43.872 42.059 -0.001 0.000 1.217 1177 L HN 0.266 nan 8.230 nan 0.000 0.420 1178 V N 5.981 125.858 119.914 -0.061 0.000 2.417 1178 V HA 0.583 4.701 4.120 -0.004 0.000 0.291 1178 V C -0.459 175.469 176.094 -0.277 0.000 1.024 1178 V CA -0.641 61.602 62.300 -0.095 0.000 0.861 1178 V CB 1.821 33.670 31.823 0.042 0.000 0.985 1178 V HN 0.529 nan 8.190 nan 0.000 0.436 1179 V N 3.382 123.152 119.914 -0.240 0.000 2.487 1179 V HA 0.409 4.527 4.120 -0.004 0.000 0.298 1179 V C -0.510 175.404 176.094 -0.300 0.000 1.028 1179 V CA -0.610 61.514 62.300 -0.293 0.000 0.860 1179 V CB 2.033 33.763 31.823 -0.156 0.000 0.991 1179 V HN 0.890 nan 8.190 nan 0.000 0.427 1180 D N 4.158 124.342 120.400 -0.360 0.000 2.380 1180 D HA 0.450 5.088 4.640 -0.004 0.000 0.230 1180 D C 0.514 176.713 176.300 -0.169 0.000 1.154 1180 D CA -0.211 53.656 54.000 -0.222 0.000 0.859 1180 D CB 1.803 42.547 40.800 -0.094 0.000 1.045 1180 D HN 0.640 nan 8.370 nan 0.000 0.495 1181 A N 3.231 125.889 122.820 -0.271 0.000 2.460 1181 A HA 0.119 4.437 4.320 -0.004 0.000 0.258 1181 A C 1.830 179.458 177.584 0.074 0.000 1.300 1181 A CA -0.191 51.770 52.037 -0.125 0.000 0.913 1181 A CB -0.108 18.817 19.000 -0.124 0.000 1.031 1181 A HN 0.564 nan 8.150 nan 0.000 0.512 1182 T N -0.104 114.511 114.554 0.103 0.000 2.649 1182 T HA -0.225 4.123 4.350 -0.004 0.000 0.268 1182 T C 1.317 176.311 174.700 0.491 0.000 1.036 1182 T CA 1.998 64.304 62.100 0.344 0.000 1.157 1182 T CB -0.424 68.593 68.868 0.248 0.000 0.861 1182 T HN 0.477 nan 8.240 nan 0.000 0.445 1183 F N 1.230 121.303 119.950 0.205 0.000 2.502 1183 F HA 0.020 4.545 4.527 -0.004 0.000 0.298 1183 F C 2.425 178.373 175.800 0.247 0.000 1.111 1183 F CA 0.681 58.837 58.000 0.260 0.000 1.445 1183 F CB -0.352 38.749 39.000 0.168 0.000 1.081 1183 F HN 0.152 nan 8.300 nan 0.000 0.558 1184 T N -1.807 112.943 114.554 0.327 0.000 2.978 1184 T HA 0.157 4.505 4.350 -0.004 0.000 0.248 1184 T C 0.361 175.102 174.700 0.069 0.000 1.018 1184 T CA 0.719 62.930 62.100 0.185 0.000 1.026 1184 T CB -0.121 68.879 68.868 0.221 0.000 1.032 1184 T HN 0.253 nan 8.240 nan 0.000 0.485 1185 S N 1.423 117.211 115.700 0.147 0.000 3.461 1185 S HA -0.073 4.394 4.470 -0.004 0.000 0.820 1185 S C -2.708 171.924 174.600 0.053 0.000 1.142 1185 S CA -0.124 58.108 58.200 0.055 0.000 1.078 1185 S CB -1.171 61.912 63.200 -0.194 0.000 0.674 1185 S HN 0.163 nan 8.310 nan 0.000 0.333 1186 P HA 0.205 nan 4.420 nan 0.000 0.245 1186 P C 1.436 178.678 177.300 -0.097 0.000 1.212 1186 P CA 0.839 63.927 63.100 -0.021 0.000 0.774 1186 P CB -0.575 31.058 31.700 -0.111 0.000 0.999 1187 C N -1.743 117.406 119.300 -0.251 0.000 2.435 1187 C HA 0.037 4.495 4.460 -0.004 0.000 0.279 1187 C C 2.273 177.110 174.990 -0.255 0.000 1.321 1187 C CA 0.768 59.547 59.018 -0.398 0.000 1.752 1187 C CB -1.814 25.415 27.740 -0.852 0.000 1.959 1187 C HN 0.210 nan 8.230 nan 0.000 0.500 1188 F N -1.859 118.066 119.950 -0.041 0.000 2.740 1188 F HA 0.362 4.887 4.527 -0.004 0.000 0.304 1188 F C 0.261 176.034 175.800 -0.045 0.000 1.098 1188 F CA -0.420 57.540 58.000 -0.068 0.000 1.258 1188 F CB 0.492 39.426 39.000 -0.109 0.000 1.061 1188 F HN -0.032 nan 8.300 nan 0.000 0.598 1189 L N 1.367 122.690 121.223 0.165 0.000 2.406 1189 L HA 0.442 4.779 4.340 -0.004 0.000 0.272 1189 L C -1.116 175.814 176.870 0.100 0.000 0.980 1189 L CA -0.618 54.292 54.840 0.117 0.000 0.831 1189 L CB 1.523 43.656 42.059 0.124 0.000 1.253 1189 L HN -0.094 nan 8.230 nan 0.000 0.406 1190 K N 6.577 127.019 120.400 0.070 0.000 2.579 1190 K HA 0.425 4.743 4.320 -0.004 0.000 0.225 1190 K C -2.088 174.540 176.600 0.045 0.000 0.992 1190 K CA -1.427 54.897 56.287 0.061 0.000 1.018 1190 K CB 1.538 34.065 32.500 0.045 0.000 1.249 1190 K HN 0.338 nan 8.250 nan 0.000 0.489 1191 P HA -0.111 nan 4.420 nan 0.000 0.221 1191 P C 0.785 178.101 177.300 0.027 0.000 1.150 1191 P CA 0.873 63.985 63.100 0.020 0.000 0.800 1191 P CB 0.246 31.941 31.700 -0.008 0.000 0.787 1192 L N -0.415 120.828 121.223 0.032 0.000 2.191 1192 L HA -0.133 4.205 4.340 -0.004 0.000 0.212 1192 L C 2.038 178.929 176.870 0.034 0.000 1.103 1192 L CA 1.375 56.236 54.840 0.034 0.000 0.769 1192 L CB -1.007 41.070 42.059 0.029 0.000 0.908 1192 L HN 0.068 nan 8.230 nan 0.000 0.438 1193 E N 0.307 120.526 120.200 0.031 0.000 2.358 1193 E HA -0.066 4.282 4.350 -0.004 0.000 0.195 1193 E C 1.929 178.550 176.600 0.035 0.000 1.010 1193 E CA 0.623 57.041 56.400 0.029 0.000 0.856 1193 E CB 0.112 29.826 29.700 0.024 0.000 0.795 1193 E HN 0.544 nan 8.360 nan 0.000 0.504 1194 L N -0.721 120.524 121.223 0.037 0.000 2.607 1194 L HA 0.230 4.568 4.340 -0.004 0.000 0.228 1194 L C 1.300 178.204 176.870 0.056 0.000 1.123 1194 L CA 0.347 55.208 54.840 0.035 0.000 0.890 1194 L CB 0.495 42.566 42.059 0.021 0.000 1.103 1194 L HN 0.262 nan 8.230 nan 0.000 0.468 1195 G N -0.130 108.726 108.800 0.093 0.000 2.192 1195 G HA2 -0.191 3.767 3.960 -0.004 0.000 0.193 1195 G HA3 -0.191 3.767 3.960 -0.004 0.000 0.193 1195 G C 0.392 175.412 174.900 0.200 0.000 0.999 1195 G CA -0.159 45.065 45.100 0.205 0.000 0.659 1195 G HN 0.397 nan 8.290 nan 0.000 0.503 1196 A N 0.250 123.121 122.820 0.086 0.000 2.425 1196 A HA 0.554 4.872 4.320 -0.004 0.000 0.242 1196 A C 1.107 178.728 177.584 0.062 0.000 1.077 1196 A CA 0.840 52.909 52.037 0.054 0.000 0.781 1196 A CB 0.318 19.320 19.000 0.003 0.000 1.020 1196 A HN 0.200 nan 8.150 nan 0.000 0.494 1197 D N 0.085 120.506 120.400 0.034 0.000 2.301 1197 D HA 0.161 4.799 4.640 -0.004 0.000 0.206 1197 D C -0.011 176.284 176.300 -0.008 0.000 0.979 1197 D CA 1.233 55.234 54.000 0.002 0.000 0.874 1197 D CB 0.287 41.062 40.800 -0.041 0.000 0.968 1197 D HN 0.492 nan 8.370 nan 0.000 0.510 1198 I N 0.458 121.024 120.570 -0.007 0.000 2.619 1198 I HA 0.398 4.565 4.170 -0.004 0.000 0.292 1198 I C -1.056 175.062 176.117 0.002 0.000 1.100 1198 I CA -0.854 60.457 61.300 0.019 0.000 1.043 1198 I CB 2.509 40.533 38.000 0.040 0.000 1.239 1198 I HN -0.243 nan 8.210 nan 0.000 0.420 1199 A N 6.809 129.642 122.820 0.022 0.000 2.343 1199 A HA 0.934 5.252 4.320 -0.004 0.000 0.316 1199 A C -1.051 176.532 177.584 -0.002 0.000 1.104 1199 A CA -0.425 51.603 52.037 -0.016 0.000 0.768 1199 A CB 1.211 20.228 19.000 0.029 0.000 1.213 1199 A HN 0.610 nan 8.150 nan 0.000 0.456 1200 L N -0.295 120.853 121.223 -0.124 0.000 2.359 1200 L HA 0.825 5.163 4.340 -0.004 0.000 0.256 1200 L C -0.660 176.028 176.870 -0.303 0.000 1.026 1200 L CA -0.551 54.261 54.840 -0.046 0.000 0.828 1200 L CB 1.684 43.768 42.059 0.042 0.000 1.406 1200 L HN 0.659 nan 8.230 nan 0.000 0.413 1201 H N -0.595 118.544 119.070 0.116 0.000 2.894 1201 H HA 0.342 4.896 4.556 -0.004 0.000 0.367 1201 H C -1.145 174.252 175.328 0.115 0.000 1.144 1201 H CA -0.780 55.339 56.048 0.119 0.000 1.180 1201 H CB 2.338 32.181 29.762 0.136 0.000 1.758 1201 H HN 0.804 nan 8.280 nan 0.000 0.541 1202 S N 1.720 117.533 115.700 0.189 0.000 2.443 1202 S HA 0.062 4.530 4.470 -0.004 0.000 0.284 1202 S C 1.282 175.981 174.600 0.165 0.000 1.206 1202 S CA -0.562 57.715 58.200 0.127 0.000 1.074 1202 S CB -0.077 63.132 63.200 0.015 0.000 0.963 1202 S HN 0.424 nan 8.310 nan 0.000 0.501 1203 V N 5.483 125.501 119.914 0.173 0.000 2.913 1203 V HA -0.099 4.019 4.120 -0.004 0.000 0.260 1203 V C 2.263 178.392 176.094 0.059 0.000 1.098 1203 V CA 1.878 64.267 62.300 0.148 0.000 1.121 1203 V CB -0.821 31.105 31.823 0.172 0.000 0.714 1203 V HN 0.908 nan 8.190 nan 0.000 0.487 1204 S N -0.455 115.263 115.700 0.029 0.000 2.465 1204 S HA -0.114 4.354 4.470 -0.004 0.000 0.241 1204 S C 1.488 176.059 174.600 -0.049 0.000 1.000 1204 S CA 0.983 59.175 58.200 -0.013 0.000 0.964 1204 S CB -0.083 63.102 63.200 -0.025 0.000 0.763 1204 S HN 0.540 nan 8.310 nan 0.000 0.512 1205 K N 0.814 121.181 120.400 -0.056 0.000 4.047 1205 K HA 0.299 4.617 4.320 -0.004 0.000 0.172 1205 K C 1.474 177.964 176.600 -0.183 0.000 1.146 1205 K CA 0.082 56.255 56.287 -0.191 0.000 1.760 1205 K CB -1.153 31.226 32.500 -0.203 0.000 2.442 1205 K HN 0.150 nan 8.250 nan 0.000 0.539 1206 Y N 1.429 121.709 120.300 -0.033 0.000 2.181 1206 Y HA -0.071 4.477 4.550 -0.004 0.000 0.288 1206 Y C 2.432 178.333 175.900 0.002 0.000 1.146 1206 Y CA 1.049 59.121 58.100 -0.047 0.000 1.164 1206 Y CB -0.755 37.659 38.460 -0.076 0.000 0.982 1206 Y HN 0.180 nan 8.280 nan 0.000 0.515 1207 I N -0.084 120.583 120.570 0.160 0.000 2.127 1207 I HA -0.363 3.805 4.170 -0.004 0.000 0.241 1207 I C 2.340 178.532 176.117 0.125 0.000 1.075 1207 I CA 2.026 63.397 61.300 0.119 0.000 1.334 1207 I CB -0.390 37.675 38.000 0.110 0.000 1.040 1207 I HN 0.238 nan 8.210 nan 0.000 0.405 1208 N N 0.384 119.139 118.700 0.092 0.000 2.135 1208 N HA -0.108 4.630 4.740 -0.004 0.000 0.186 1208 N C 1.473 177.095 175.510 0.187 0.000 1.027 1208 N CA 1.995 55.091 53.050 0.077 0.000 0.849 1208 N CB -0.058 38.436 38.487 0.011 0.000 1.002 1208 N HN 0.395 nan 8.380 nan 0.000 0.425 1209 G N -1.629 107.239 108.800 0.112 0.000 2.205 1209 G HA2 -0.299 3.659 3.960 -0.004 0.000 0.261 1209 G HA3 -0.299 3.659 3.960 -0.004 0.000 0.261 1209 G C 0.482 175.336 174.900 -0.077 0.000 0.980 1209 G CA 0.904 46.039 45.100 0.058 0.000 0.632 1209 G HN 0.604 nan 8.290 nan 0.000 0.533 1210 H N -0.482 118.586 119.070 -0.002 0.000 2.784 1210 H HA 0.454 5.008 4.556 -0.004 0.000 0.273 1210 H C 1.862 177.183 175.328 -0.012 0.000 1.112 1210 H CA 0.617 56.664 56.048 -0.001 0.000 1.162 1210 H CB 0.630 30.388 29.762 -0.007 0.000 1.586 1210 H HN 1.214 nan 8.280 nan 0.000 0.548 1211 G N 1.806 110.635 108.800 0.048 0.000 2.179 1211 G HA2 -0.322 3.636 3.960 -0.004 0.000 0.257 1211 G HA3 -0.322 3.636 3.960 -0.004 0.000 0.257 1211 G C 0.367 175.282 174.900 0.025 0.000 1.010 1211 G CA 0.878 45.986 45.100 0.013 0.000 0.736 1211 G HN 0.605 nan 8.290 nan 0.000 0.513 1212 D N -1.685 118.738 120.400 0.037 0.000 2.527 1212 D HA 0.413 5.051 4.640 -0.004 0.000 0.224 1212 D C 0.488 176.793 176.300 0.009 0.000 1.217 1212 D CA 0.327 54.342 54.000 0.026 0.000 0.819 1212 D CB 0.429 41.251 40.800 0.037 0.000 1.061 1212 D HN 1.167 nan 8.370 nan 0.000 0.515 1213 V N -0.523 119.390 119.914 -0.001 0.000 2.971 1213 V HA 0.547 4.665 4.120 -0.004 0.000 0.309 1213 V C -1.801 174.284 176.094 -0.014 0.000 1.130 1213 V CA -1.028 61.264 62.300 -0.015 0.000 0.964 1213 V CB 2.397 34.196 31.823 -0.040 0.000 1.029 1213 V HN -0.012 nan 8.190 nan 0.000 0.427 1214 I N 4.834 125.400 120.570 -0.007 0.000 2.354 1214 I HA 0.903 5.071 4.170 -0.004 0.000 0.292 1214 I C 0.668 176.792 176.117 0.012 0.000 0.989 1214 I CA 0.276 61.578 61.300 0.004 0.000 1.188 1214 I CB 0.762 38.770 38.000 0.014 0.000 1.342 1214 I HN 1.061 nan 8.210 nan 0.000 0.457 1215 G N 3.362 112.180 108.800 0.031 0.000 2.576 1215 G HA2 0.682 4.639 3.960 -0.004 0.000 0.290 1215 G HA3 0.682 4.639 3.960 -0.004 0.000 0.290 1215 G C -1.324 173.655 174.900 0.132 0.000 1.442 1215 G CA -0.526 44.614 45.100 0.068 0.000 0.792 1215 G HN 0.838 nan 8.290 nan 0.000 0.491 1216 G N -1.891 107.051 108.800 0.236 0.000 2.672 1216 G HA2 0.823 4.781 3.960 -0.004 0.000 0.292 1216 G HA3 0.823 4.781 3.960 -0.004 0.000 0.292 1216 G C -1.758 173.425 174.900 0.471 0.000 1.375 1216 G CA -0.487 44.794 45.100 0.301 0.000 0.890 1216 G HN 1.603 nan 8.290 nan 0.000 0.476 1217 V N -0.429 119.758 119.914 0.455 0.000 2.932 1217 V HA 0.838 4.956 4.120 -0.004 0.000 0.307 1217 V C -0.993 175.345 176.094 0.407 0.000 1.147 1217 V CA -0.512 62.074 62.300 0.477 0.000 0.951 1217 V CB 2.254 34.291 31.823 0.357 0.000 1.031 1217 V HN 1.094 nan 8.190 nan 0.000 0.426 1218 S N 3.527 119.488 115.700 0.435 0.000 2.538 1218 S HA 0.828 5.296 4.470 -0.004 0.000 0.288 1218 S C -0.897 173.846 174.600 0.239 0.000 1.108 1218 S CA -0.354 58.034 58.200 0.315 0.000 0.971 1218 S CB 1.832 65.239 63.200 0.345 0.000 1.041 1218 S HN 0.925 nan 8.310 nan 0.000 0.483 1219 S N 2.477 118.278 115.700 0.169 0.000 2.500 1219 S HA 0.847 5.314 4.470 -0.004 0.000 0.301 1219 S C -0.620 174.041 174.600 0.101 0.000 1.092 1219 S CA -0.658 57.612 58.200 0.117 0.000 1.030 1219 S CB 1.649 64.899 63.200 0.085 0.000 1.031 1219 S HN 0.995 nan 8.310 nan 0.000 0.483 1220 A N 1.729 124.604 122.820 0.092 0.000 2.355 1220 A HA 0.604 4.922 4.320 -0.004 0.000 0.324 1220 A C 0.836 178.449 177.584 0.047 0.000 1.117 1220 A CA -0.761 51.322 52.037 0.077 0.000 0.785 1220 A CB 1.015 20.082 19.000 0.113 0.000 1.254 1220 A HN 0.866 nan 8.150 nan 0.000 0.453 1221 K N 0.331 120.748 120.400 0.029 0.000 2.283 1221 K HA -0.024 4.294 4.320 -0.004 0.000 0.202 1221 K C 0.029 176.636 176.600 0.011 0.000 1.048 1221 K CA 1.382 57.677 56.287 0.014 0.000 0.948 1221 K CB 0.046 32.547 32.500 0.003 0.000 0.742 1221 K HN 0.644 nan 8.250 nan 0.000 0.458 1222 T N -0.898 113.668 114.554 0.021 0.000 2.863 1222 T HA 0.417 4.764 4.350 -0.004 0.000 0.285 1222 T C 0.401 175.125 174.700 0.041 0.000 1.009 1222 T CA -0.252 61.861 62.100 0.022 0.000 0.989 1222 T CB 1.823 70.701 68.868 0.016 0.000 1.004 1222 T HN 0.168 nan 8.240 nan 0.000 0.455 1223 A N 2.261 125.099 122.820 0.030 0.000 1.908 1223 A HA -0.120 4.197 4.320 -0.004 0.000 0.218 1223 A C 2.011 179.628 177.584 0.054 0.000 1.181 1223 A CA 2.254 54.311 52.037 0.034 0.000 0.627 1223 A CB -0.617 18.392 19.000 0.015 0.000 0.818 1223 A HN 0.952 nan 8.150 nan 0.000 0.445 1224 E N -0.385 119.849 120.200 0.056 0.000 2.085 1224 E HA -0.250 4.097 4.350 -0.004 0.000 0.194 1224 E C 1.324 178.011 176.600 0.144 0.000 0.994 1224 E CA 1.530 57.978 56.400 0.079 0.000 0.801 1224 E CB -0.121 29.620 29.700 0.069 0.000 0.743 1224 E HN 0.544 nan 8.360 nan 0.000 0.453 1225 D N 0.188 120.688 120.400 0.166 0.000 2.117 1225 D HA -0.126 4.512 4.640 -0.004 0.000 0.198 1225 D C 1.873 178.356 176.300 0.305 0.000 0.982 1225 D CA 0.599 54.779 54.000 0.299 0.000 0.828 1225 D CB -0.203 40.699 40.800 0.170 0.000 0.967 1225 D HN 0.214 nan 8.370 nan 0.000 0.464 1226 I N 0.986 121.671 120.570 0.191 0.000 2.286 1226 I HA -0.180 3.988 4.170 -0.004 0.000 0.248 1226 I C 2.021 178.228 176.117 0.151 0.000 1.115 1226 I CA 0.830 62.232 61.300 0.169 0.000 1.392 1226 I CB -0.416 37.650 38.000 0.111 0.000 1.065 1226 I HN -0.073 nan 8.210 nan 0.000 0.418 1227 A N -0.971 121.923 122.820 0.123 0.000 1.902 1227 A HA -0.209 4.109 4.320 -0.004 0.000 0.217 1227 A C 2.348 180.022 177.584 0.150 0.000 1.181 1227 A CA 2.423 54.522 52.037 0.103 0.000 0.623 1227 A CB -1.314 17.719 19.000 0.055 0.000 0.818 1227 A HN 0.453 nan 8.150 nan 0.000 0.443 1228 T N 0.184 114.838 114.554 0.166 0.000 2.777 1228 T HA -0.059 4.289 4.350 -0.004 0.000 0.266 1228 T C 1.795 176.567 174.700 0.119 0.000 1.040 1228 T CA 1.394 63.586 62.100 0.154 0.000 1.141 1228 T CB -0.384 68.533 68.868 0.082 0.000 0.868 1228 T HN 0.410 nan 8.240 nan 0.000 0.444 1229 I N 0.831 121.475 120.570 0.123 0.000 2.163 1229 I HA -0.221 3.947 4.170 -0.004 0.000 0.243 1229 I C 2.517 178.792 176.117 0.263 0.000 1.085 1229 I CA 1.479 62.884 61.300 0.176 0.000 1.347 1229 I CB -0.238 37.934 38.000 0.287 0.000 1.044 1229 I HN 0.191 nan 8.210 nan 0.000 0.408 1230 K N -0.224 120.303 120.400 0.212 0.000 2.148 1230 K HA -0.177 4.140 4.320 -0.004 0.000 0.204 1230 K C 2.087 178.811 176.600 0.207 0.000 1.050 1230 K CA 1.219 57.603 56.287 0.162 0.000 0.942 1230 K CB -0.237 32.321 32.500 0.095 0.000 0.724 1230 K HN 0.170 nan 8.250 nan 0.000 0.446 1231 F N 0.885 120.877 119.950 0.071 0.000 2.102 1231 F HA -0.231 4.294 4.527 -0.004 0.000 0.298 1231 F C 2.141 177.980 175.800 0.064 0.000 1.105 1231 F CA 1.119 59.150 58.000 0.052 0.000 1.239 1231 F CB -0.652 38.370 39.000 0.038 0.000 0.991 1231 F HN 0.008 nan 8.300 nan 0.000 0.474 1232 Y N 1.101 121.337 120.300 -0.107 0.000 2.145 1232 Y HA -0.234 4.314 4.550 -0.004 0.000 0.286 1232 Y C 2.893 178.742 175.900 -0.086 0.000 1.145 1232 Y CA 2.403 60.383 58.100 -0.200 0.000 1.148 1232 Y CB -0.593 37.788 38.460 -0.132 0.000 0.981 1232 Y HN 0.076 nan 8.280 nan 0.000 0.507 1233 R N 0.990 121.604 120.500 0.190 0.000 2.091 1233 R HA -0.240 4.098 4.340 -0.004 0.000 0.238 1233 R C 2.448 178.744 176.300 -0.006 0.000 1.136 1233 R CA 2.110 58.316 56.100 0.176 0.000 0.959 1233 R CB -0.397 30.018 30.300 0.193 0.000 0.856 1233 R HN 0.416 nan 8.270 nan 0.000 0.437 1234 K N -0.256 120.127 120.400 -0.028 0.000 2.147 1234 K HA -0.157 4.161 4.320 -0.004 0.000 0.205 1234 K C 0.686 177.224 176.600 -0.103 0.000 1.049 1234 K CA 2.030 58.304 56.287 -0.022 0.000 0.936 1234 K CB 0.082 32.608 32.500 0.044 0.000 0.722 1234 K HN 0.196 nan 8.250 nan 0.000 0.446 1235 D N -0.098 120.146 120.400 -0.260 0.000 2.301 1235 D HA 0.056 4.693 4.640 -0.004 0.000 0.206 1235 D C 1.575 177.678 176.300 -0.329 0.000 0.979 1235 D CA 0.937 54.752 54.000 -0.309 0.000 0.874 1235 D CB 0.307 40.839 40.800 -0.447 0.000 0.968 1235 D HN 0.348 nan 8.370 nan 0.000 0.510 1236 A N 0.063 122.627 122.820 -0.427 0.000 2.081 1236 A HA 0.396 4.714 4.320 -0.004 0.000 0.214 1236 A C 1.796 179.304 177.584 -0.126 0.000 1.158 1236 A CA 1.195 53.020 52.037 -0.352 0.000 0.724 1236 A CB -0.217 18.479 19.000 -0.506 0.000 0.826 1236 A HN 0.225 nan 8.150 nan 0.000 0.463 1237 G N -0.593 108.169 108.800 -0.063 0.000 2.147 1237 G HA2 -0.217 3.740 3.960 -0.004 0.000 0.244 1237 G HA3 -0.217 3.740 3.960 -0.004 0.000 0.244 1237 G C 0.370 175.301 174.900 0.052 0.000 1.005 1237 G CA 0.614 45.714 45.100 -0.000 0.000 0.713 1237 G HN 1.146 nan 8.290 nan 0.000 0.515 1238 S N 0.362 116.138 115.700 0.126 0.000 2.681 1238 S HA 0.646 5.113 4.470 -0.004 0.000 0.313 1238 S C 0.617 175.330 174.600 0.188 0.000 1.137 1238 S CA -0.611 57.704 58.200 0.192 0.000 1.045 1238 S CB -0.174 63.196 63.200 0.283 0.000 1.208 1238 S HN 0.439 nan 8.310 nan 0.000 0.523 1239 L N 4.591 125.866 121.223 0.087 0.000 2.334 1239 L HA 0.545 4.883 4.340 -0.004 0.000 0.275 1239 L C 0.375 177.264 176.870 0.032 0.000 1.036 1239 L CA -0.677 54.176 54.840 0.022 0.000 0.807 1239 L CB 1.705 43.765 42.059 0.002 0.000 1.231 1239 L HN 0.537 nan 8.230 nan 0.000 0.438 1240 M N 2.629 122.231 119.600 0.004 0.000 2.162 1240 M HA 0.402 4.880 4.480 -0.004 0.000 0.356 1240 M C 0.149 176.449 176.300 0.001 0.000 1.303 1240 M CA -0.219 55.087 55.300 0.011 0.000 1.116 1240 M CB 1.101 33.704 32.600 0.005 0.000 1.632 1240 M HN 0.740 nan 8.290 nan 0.000 0.469 1241 A N 7.053 129.874 122.820 0.001 0.000 2.445 1241 A HA 0.358 4.676 4.320 -0.004 0.000 0.242 1241 A C -2.034 175.560 177.584 0.015 0.000 1.075 1241 A CA -1.290 50.747 52.037 0.001 0.000 0.777 1241 A CB -0.414 18.585 19.000 -0.001 0.000 1.013 1241 A HN 0.753 nan 8.150 nan 0.000 0.493 1242 P HA -0.202 nan 4.420 nan 0.000 0.215 1242 P C 1.618 178.969 177.300 0.085 0.000 1.157 1242 P CA 1.717 64.861 63.100 0.072 0.000 0.874 1242 P CB -0.079 31.663 31.700 0.071 0.000 0.790 1243 M N -0.114 119.512 119.600 0.044 0.000 2.117 1243 M HA -0.139 4.339 4.480 -0.004 0.000 0.262 1243 M C 1.200 177.565 176.300 0.107 0.000 1.065 1243 M CA 1.890 57.227 55.300 0.061 0.000 1.114 1243 M CB -1.309 31.295 32.600 0.006 0.000 1.361 1243 M HN -0.260 nan 8.290 nan 0.000 0.408 1244 D N 0.167 120.588 120.400 0.036 0.000 2.144 1244 D HA -0.041 4.597 4.640 -0.004 0.000 0.199 1244 D C 1.994 178.241 176.300 -0.088 0.000 0.984 1244 D CA 1.677 55.666 54.000 -0.019 0.000 0.834 1244 D CB -0.360 40.418 40.800 -0.038 0.000 0.955 1244 D HN 0.514 nan 8.370 nan 0.000 0.465 1245 A N 0.233 123.019 122.820 -0.057 0.000 1.930 1245 A HA -0.140 4.178 4.320 -0.004 0.000 0.217 1245 A C 2.086 179.651 177.584 -0.032 0.000 1.175 1245 A CA 0.922 52.887 52.037 -0.120 0.000 0.627 1245 A CB -0.957 18.055 19.000 0.019 0.000 0.815 1245 A HN 0.295 nan 8.150 nan 0.000 0.443 1246 F N 0.725 120.649 119.950 -0.044 0.000 2.102 1246 F HA -0.156 4.370 4.527 -0.003 0.000 0.298 1246 F C 1.808 177.574 175.800 -0.056 0.000 1.105 1246 F CA 1.841 59.837 58.000 -0.008 0.000 1.239 1246 F CB -0.290 38.716 39.000 0.011 0.000 0.991 1246 F HN 0.138 nan 8.300 nan 0.000 0.474 1247 L N -0.593 120.588 121.223 -0.069 0.000 2.056 1247 L HA -0.255 4.083 4.340 -0.004 0.000 0.207 1247 L C 2.620 179.325 176.870 -0.275 0.000 1.078 1247 L CA 1.234 55.941 54.840 -0.221 0.000 0.749 1247 L CB -1.015 41.017 42.059 -0.046 0.000 0.901 1247 L HN 0.310 nan 8.230 nan 0.000 0.433 1248 C N -0.358 118.759 119.300 -0.305 0.000 2.446 1248 C HA -0.087 4.370 4.460 -0.004 0.000 0.277 1248 C C 3.148 178.019 174.990 -0.198 0.000 1.275 1248 C CA 0.585 59.372 59.018 -0.385 0.000 1.727 1248 C CB -1.038 26.134 27.740 -0.946 0.000 2.010 1248 C HN 0.608 nan 8.230 nan 0.000 0.486 1249 A N 0.555 123.291 122.820 -0.140 0.000 1.902 1249 A HA -0.225 4.092 4.320 -0.004 0.000 0.217 1249 A C 2.306 179.823 177.584 -0.111 0.000 1.181 1249 A CA 1.820 53.887 52.037 0.049 0.000 0.623 1249 A CB -0.647 18.383 19.000 0.049 0.000 0.818 1249 A HN 0.652 nan 8.150 nan 0.000 0.443 1250 R N -0.618 119.702 120.500 -0.301 0.000 2.066 1250 R HA -0.102 4.236 4.340 -0.004 0.000 0.232 1250 R C 2.300 178.474 176.300 -0.210 0.000 1.131 1250 R CA 1.543 57.442 56.100 -0.335 0.000 0.955 1250 R CB -0.735 29.216 30.300 -0.581 0.000 0.851 1250 R HN 0.456 nan 8.270 nan 0.000 0.432 1251 G N 0.858 109.542 108.800 -0.193 0.000 2.442 1251 G HA2 -0.310 3.648 3.960 -0.004 0.000 0.219 1251 G HA3 -0.310 3.648 3.960 -0.004 0.000 0.219 1251 G C 1.427 176.362 174.900 0.058 0.000 1.141 1251 G CA 0.814 45.886 45.100 -0.047 0.000 0.763 1251 G HN 0.326 nan 8.290 nan 0.000 0.554 1252 M N -0.132 119.494 119.600 0.042 0.000 2.394 1252 M HA 0.091 4.569 4.480 -0.004 0.000 0.264 1252 M C 2.338 178.650 176.300 0.020 0.000 1.073 1252 M CA 0.943 56.281 55.300 0.063 0.000 1.111 1252 M CB -0.030 32.641 32.600 0.117 0.000 1.401 1252 M HN 0.127 nan 8.290 nan 0.000 0.448 1253 K N -0.527 119.869 120.400 -0.008 0.000 2.211 1253 K HA -0.123 4.195 4.320 -0.004 0.000 0.204 1253 K C 1.357 177.959 176.600 0.003 0.000 1.047 1253 K CA 1.784 58.058 56.287 -0.021 0.000 0.935 1253 K CB -0.183 32.287 32.500 -0.052 0.000 0.728 1253 K HN 0.484 nan 8.250 nan 0.000 0.452 1254 T N -1.840 112.734 114.554 0.033 0.000 3.129 1254 T HA 0.133 4.481 4.350 -0.004 0.000 0.267 1254 T C 1.332 176.058 174.700 0.043 0.000 1.018 1254 T CA -0.397 61.731 62.100 0.046 0.000 0.903 1254 T CB 0.143 69.059 68.868 0.081 0.000 1.067 1254 T HN -0.038 nan 8.240 nan 0.000 0.549 1255 L N 2.392 123.634 121.223 0.032 0.000 1.989 1255 L HA 0.134 4.472 4.340 -0.004 0.000 0.211 1255 L C -0.941 175.905 176.870 -0.039 0.000 1.071 1255 L CA 2.013 56.861 54.840 0.014 0.000 0.749 1255 L CB -1.121 40.932 42.059 -0.010 0.000 0.890 1255 L HN 0.101 nan 8.230 nan 0.000 0.431 1256 P HA -0.162 nan 4.420 nan 0.000 0.215 1256 P C 1.943 179.220 177.300 -0.039 0.000 1.153 1256 P CA 1.356 64.403 63.100 -0.087 0.000 0.853 1256 P CB -0.095 31.573 31.700 -0.053 0.000 0.788 1257 I N -0.594 119.972 120.570 -0.006 0.000 2.315 1257 I HA -0.147 4.021 4.170 -0.004 0.000 0.248 1257 I C 2.155 178.275 176.117 0.005 0.000 1.117 1257 I CA 1.334 62.639 61.300 0.009 0.000 1.404 1257 I CB -0.519 37.488 38.000 0.012 0.000 1.071 1257 I HN -0.234 nan 8.210 nan 0.000 0.419 1258 R N -0.638 119.866 120.500 0.006 0.000 2.083 1258 R HA -0.160 4.178 4.340 -0.004 0.000 0.237 1258 R C 2.152 178.491 176.300 0.065 0.000 1.137 1258 R CA 1.690 57.781 56.100 -0.015 0.000 0.951 1258 R CB -0.437 29.898 30.300 0.058 0.000 0.851 1258 R HN 0.302 nan 8.270 nan 0.000 0.434 1259 M N 0.687 120.347 119.600 0.100 0.000 2.159 1259 M HA -0.183 4.295 4.480 -0.004 0.000 0.263 1259 M C 2.256 178.706 176.300 0.251 0.000 1.063 1259 M CA 1.535 56.897 55.300 0.103 0.000 1.110 1259 M CB -0.977 31.407 32.600 -0.360 0.000 1.374 1259 M HN 0.236 nan 8.290 nan 0.000 0.411 1260 Q N 0.183 120.091 119.800 0.179 0.000 2.084 1260 Q HA -0.180 4.158 4.340 -0.004 0.000 0.202 1260 Q C 1.836 177.931 176.000 0.158 0.000 0.978 1260 Q CA 1.367 57.307 55.803 0.228 0.000 0.844 1260 Q CB 0.120 28.939 28.738 0.136 0.000 0.898 1260 Q HN 0.345 nan 8.270 nan 0.000 0.426 1261 I N 0.564 121.179 120.570 0.074 0.000 2.286 1261 I HA -0.236 3.931 4.170 -0.004 0.000 0.245 1261 I C 2.322 178.477 176.117 0.063 0.000 1.104 1261 I CA 1.360 62.673 61.300 0.021 0.000 1.397 1261 I CB -1.782 36.174 38.000 -0.073 0.000 1.072 1261 I HN 0.340 nan 8.210 nan 0.000 0.417 1262 H N 0.222 119.368 119.070 0.128 0.000 2.319 1262 H HA -0.200 4.354 4.556 -0.004 0.000 0.299 1262 H C 2.262 177.695 175.328 0.175 0.000 1.092 1262 H CA 1.913 58.057 56.048 0.160 0.000 1.302 1262 H CB -0.305 29.561 29.762 0.172 0.000 1.373 1262 H HN 0.300 nan 8.280 nan 0.000 0.497 1263 M N 0.644 120.442 119.600 0.331 0.000 2.080 1263 M HA -0.192 4.286 4.480 -0.004 0.000 0.260 1263 M C 2.286 178.693 176.300 0.177 0.000 1.068 1263 M CA 1.983 57.431 55.300 0.247 0.000 1.109 1263 M CB 0.104 32.791 32.600 0.146 0.000 1.342 1263 M HN 0.026 nan 8.290 nan 0.000 0.405 1264 E N 0.592 120.873 120.200 0.136 0.000 2.072 1264 E HA -0.137 4.211 4.350 -0.004 0.000 0.191 1264 E C 1.448 178.093 176.600 0.076 0.000 0.985 1264 E CA 2.010 58.458 56.400 0.081 0.000 0.801 1264 E CB -0.388 29.348 29.700 0.060 0.000 0.750 1264 E HN 0.674 nan 8.360 nan 0.000 0.452 1265 N N -0.665 118.097 118.700 0.103 0.000 2.069 1265 N HA -0.145 4.592 4.740 -0.004 0.000 0.191 1265 N C 1.869 177.466 175.510 0.146 0.000 1.031 1265 N CA 0.970 54.083 53.050 0.106 0.000 0.852 1265 N CB -0.356 38.205 38.487 0.122 0.000 1.018 1265 N HN 0.290 nan 8.380 nan 0.000 0.423 1266 G N 1.317 110.250 108.800 0.220 0.000 2.422 1266 G HA2 -0.195 3.763 3.960 -0.004 0.000 0.218 1266 G HA3 -0.195 3.763 3.960 -0.004 0.000 0.218 1266 G C 1.540 176.468 174.900 0.048 0.000 1.146 1266 G CA 0.427 45.708 45.100 0.301 0.000 0.769 1266 G HN 0.144 nan 8.290 nan 0.000 0.547 1267 L N -0.367 120.816 121.223 -0.066 0.000 2.093 1267 L HA 0.012 4.349 4.340 -0.004 0.000 0.208 1267 L C 2.946 179.677 176.870 -0.232 0.000 1.085 1267 L CA 1.141 55.765 54.840 -0.361 0.000 0.755 1267 L CB -0.167 41.752 42.059 -0.234 0.000 0.904 1267 L HN 0.150 nan 8.230 nan 0.000 0.435 1268 K N -0.801 119.555 120.400 -0.073 0.000 2.103 1268 K HA -0.096 4.221 4.320 -0.004 0.000 0.204 1268 K C 1.982 178.603 176.600 0.036 0.000 1.052 1268 K CA 0.908 57.182 56.287 -0.022 0.000 0.945 1268 K CB -0.001 32.502 32.500 0.005 0.000 0.722 1268 K HN 0.087 nan 8.250 nan 0.000 0.443 1269 V N 1.073 121.036 119.914 0.081 0.000 2.453 1269 V HA -0.202 3.915 4.120 -0.004 0.000 0.247 1269 V C 2.244 178.456 176.094 0.196 0.000 1.048 1269 V CA 1.941 64.360 62.300 0.199 0.000 1.049 1269 V CB -0.461 31.535 31.823 0.287 0.000 0.672 1269 V HN 0.330 nan 8.190 nan 0.000 0.457 1270 A N -0.063 122.735 122.820 -0.037 0.000 1.933 1270 A HA -0.223 4.095 4.320 -0.004 0.000 0.218 1270 A C 2.281 179.771 177.584 -0.156 0.000 1.175 1270 A CA 1.888 53.771 52.037 -0.256 0.000 0.628 1270 A CB -0.375 18.098 19.000 -0.878 0.000 0.814 1270 A HN 0.549 nan 8.150 nan 0.000 0.444 1271 K N -1.394 118.922 120.400 -0.141 0.000 2.057 1271 K HA -0.072 4.246 4.320 -0.004 0.000 0.206 1271 K C 1.788 178.388 176.600 0.000 0.000 1.050 1271 K CA 1.456 57.692 56.287 -0.085 0.000 0.935 1271 K CB -0.372 32.080 32.500 -0.080 0.000 0.715 1271 K HN 0.538 nan 8.250 nan 0.000 0.439 1272 F N 2.017 121.933 119.950 -0.056 0.000 2.065 1272 F HA -0.249 4.275 4.527 -0.004 0.000 0.298 1272 F C 1.781 177.576 175.800 -0.008 0.000 1.112 1272 F CA 1.405 59.392 58.000 -0.020 0.000 1.212 1272 F CB -0.147 38.844 39.000 -0.014 0.000 0.975 1272 F HN -0.103 nan 8.300 nan 0.000 0.476 1273 L N 0.220 121.288 121.223 -0.258 0.000 2.046 1273 L HA -0.228 4.109 4.340 -0.004 0.000 0.208 1273 L C 2.508 179.227 176.870 -0.251 0.000 1.077 1273 L CA 1.921 56.531 54.840 -0.383 0.000 0.747 1273 L CB -0.877 41.008 42.059 -0.291 0.000 0.896 1273 L HN 0.280 nan 8.230 nan 0.000 0.432 1274 E N 0.459 120.571 120.200 -0.146 0.000 2.153 1274 E HA -0.272 4.075 4.350 -0.004 0.000 0.194 1274 E C 1.870 178.411 176.600 -0.099 0.000 0.988 1274 E CA 1.358 57.706 56.400 -0.088 0.000 0.811 1274 E CB 0.184 29.840 29.700 -0.073 0.000 0.746 1274 E HN 0.582 nan 8.360 nan 0.000 0.466 1275 Q N -0.740 118.974 119.800 -0.143 0.000 2.360 1275 Q HA 0.050 4.388 4.340 -0.004 0.000 0.202 1275 Q C 0.213 176.106 176.000 -0.179 0.000 0.915 1275 Q CA 0.282 56.007 55.803 -0.130 0.000 0.943 1275 Q CB 0.026 28.705 28.738 -0.099 0.000 1.064 1275 Q HN 0.154 nan 8.270 nan 0.000 0.511 1276 H N 1.654 120.523 119.070 -0.336 0.000 2.610 1276 H HA 0.081 4.635 4.556 -0.004 0.000 0.336 1276 H C 0.551 175.774 175.328 -0.175 0.000 1.087 1276 H CA 0.177 56.022 56.048 -0.339 0.000 1.405 1276 H CB 1.269 30.699 29.762 -0.553 0.000 1.460 1276 H HN 0.459 nan 8.280 nan 0.000 0.538 1277 E N 3.945 123.946 120.200 -0.332 0.000 2.171 1277 E HA -0.183 4.165 4.350 -0.004 0.000 0.197 1277 E C 0.902 177.538 176.600 0.060 0.000 0.997 1277 E CA 0.924 57.251 56.400 -0.122 0.000 0.810 1277 E CB 0.297 29.886 29.700 -0.186 0.000 0.738 1277 E HN 0.502 nan 8.360 nan 0.000 0.467 1278 K N 0.157 120.728 120.400 0.285 0.000 2.365 1278 K HA 0.011 4.329 4.320 -0.004 0.000 0.199 1278 K C 0.684 177.361 176.600 0.128 0.000 1.045 1278 K CA 0.263 56.666 56.287 0.192 0.000 0.962 1278 K CB 0.292 32.899 32.500 0.178 0.000 0.759 1278 K HN 0.192 nan 8.250 nan 0.000 0.469 1279 I N 1.384 122.024 120.570 0.117 0.000 2.331 1279 I HA 0.028 4.196 4.170 -0.004 0.000 0.292 1279 I C 1.615 177.785 176.117 0.088 0.000 0.998 1279 I CA -0.194 61.163 61.300 0.096 0.000 1.267 1279 I CB 1.511 39.518 38.000 0.011 0.000 1.386 1279 I HN -0.296 nan 8.210 nan 0.000 0.476 1280 V N 5.567 125.550 119.914 0.115 0.000 2.446 1280 V HA 0.057 4.175 4.120 -0.004 0.000 0.244 1280 V C 0.878 177.027 176.094 0.092 0.000 1.039 1280 V CA 1.235 63.588 62.300 0.089 0.000 1.045 1280 V CB -0.138 31.739 31.823 0.089 0.000 0.681 1280 V HN 0.737 nan 8.190 nan 0.000 0.459 1281 K N -1.037 119.443 120.400 0.134 0.000 2.551 1281 K HA 0.614 4.932 4.320 -0.004 0.000 0.269 1281 K C -2.083 174.644 176.600 0.212 0.000 0.949 1281 K CA -0.437 55.936 56.287 0.144 0.000 0.849 1281 K CB 2.879 35.464 32.500 0.141 0.000 1.411 1281 K HN -0.101 nan 8.250 nan 0.000 0.432 1282 V N 2.505 122.542 119.914 0.206 0.000 2.577 1282 V HA 0.340 4.457 4.120 -0.004 0.000 0.303 1282 V C -0.792 175.453 176.094 0.252 0.000 1.042 1282 V CA -0.894 61.570 62.300 0.272 0.000 0.872 1282 V CB 1.763 33.691 31.823 0.175 0.000 0.998 1282 V HN 0.745 nan 8.190 nan 0.000 0.423 1283 N N 3.821 122.693 118.700 0.287 0.000 2.801 1283 N HA 0.272 5.009 4.740 -0.004 0.000 0.235 1283 N C -1.109 174.275 175.510 -0.210 0.000 1.069 1283 N CA -0.310 52.808 53.050 0.114 0.000 0.946 1283 N CB 0.341 38.992 38.487 0.273 0.000 1.212 1283 N HN 0.672 nan 8.380 nan 0.000 0.509 1284 H N 3.222 121.933 119.070 -0.598 0.000 2.658 1284 H HA 0.234 4.788 4.556 -0.004 0.000 0.337 1284 H C -2.154 172.676 175.328 -0.830 0.000 1.009 1284 H CA -1.991 53.665 56.048 -0.654 0.000 1.231 1284 H CB 2.304 31.606 29.762 -0.767 0.000 1.508 1284 H HN 0.286 nan 8.280 nan 0.000 0.517 1285 P HA -0.022 nan 4.420 nan 0.000 0.230 1285 P C 1.110 178.348 177.300 -0.105 0.000 1.158 1285 P CA 0.925 63.868 63.100 -0.263 0.000 0.769 1285 P CB 0.059 31.737 31.700 -0.036 0.000 0.807 1286 G N -0.322 108.237 108.800 -0.402 0.000 2.813 1286 G HA2 0.074 4.031 3.960 -0.004 0.000 0.209 1286 G HA3 0.074 4.031 3.960 -0.004 0.000 0.209 1286 G C 0.621 175.277 174.900 -0.406 0.000 1.150 1286 G CA -0.140 44.510 45.100 -0.749 0.000 0.785 1286 G HN 0.217 nan 8.290 nan 0.000 0.535 1287 L N 0.612 121.630 121.223 -0.342 0.000 2.349 1287 L HA 0.243 4.581 4.340 -0.004 0.000 0.275 1287 L C 1.235 177.811 176.870 -0.491 0.000 1.115 1287 L CA -0.430 54.193 54.840 -0.361 0.000 0.820 1287 L CB 1.429 43.356 42.059 -0.219 0.000 1.135 1287 L HN 0.170 nan 8.230 nan 0.000 0.445 1288 E N 0.783 120.660 120.200 -0.537 0.000 2.265 1288 E HA -0.166 4.182 4.350 -0.004 0.000 0.196 1288 E C 1.804 178.308 176.600 -0.159 0.000 0.996 1288 E CA 1.300 57.409 56.400 -0.485 0.000 0.832 1288 E CB 0.147 29.693 29.700 -0.257 0.000 0.756 1288 E HN 0.804 nan 8.360 nan 0.000 0.491 1289 S N 0.337 115.986 115.700 -0.085 0.000 2.515 1289 S HA -0.090 4.378 4.470 -0.004 0.000 0.231 1289 S C 0.540 175.189 174.600 0.083 0.000 0.987 1289 S CA -0.098 58.103 58.200 0.003 0.000 0.936 1289 S CB -0.215 62.992 63.200 0.011 0.000 0.766 1289 S HN 0.131 nan 8.310 nan 0.000 0.528 1290 F N 4.335 124.258 119.950 -0.045 0.000 2.438 1290 F HA 0.476 5.001 4.527 -0.004 0.000 0.356 1290 F C -2.637 173.200 175.800 0.063 0.000 1.099 1290 F CA -2.947 55.065 58.000 0.021 0.000 1.185 1290 F CB 0.402 39.424 39.000 0.036 0.000 1.115 1290 F HN -0.037 nan 8.300 nan 0.000 0.526 1291 P HA 0.235 nan 4.420 nan 0.000 0.267 1291 P C 0.347 177.456 177.300 -0.317 0.000 1.205 1291 P CA 0.873 63.752 63.100 -0.368 0.000 0.765 1291 P CB 0.692 32.165 31.700 -0.379 0.000 0.828 1292 G N 2.014 110.782 108.800 -0.053 0.000 2.176 1292 G HA2 -0.338 3.620 3.960 -0.004 0.000 0.253 1292 G HA3 -0.338 3.620 3.960 -0.004 0.000 0.253 1292 G C 1.215 176.240 174.900 0.207 0.000 0.979 1292 G CA 0.425 45.560 45.100 0.058 0.000 0.641 1292 G HN 0.733 nan 8.290 nan 0.000 0.530 1293 H N 0.823 120.002 119.070 0.181 0.000 2.353 1293 H HA -0.122 4.432 4.556 -0.004 0.000 0.298 1293 H C 2.065 177.479 175.328 0.144 0.000 1.103 1293 H CA 2.021 58.189 56.048 0.200 0.000 1.293 1293 H CB 0.104 29.960 29.762 0.158 0.000 1.372 1293 H HN 0.454 nan 8.280 nan 0.000 0.501 1294 D N 0.511 120.923 120.400 0.020 0.000 2.117 1294 D HA -0.122 4.516 4.640 -0.004 0.000 0.197 1294 D C 2.501 178.770 176.300 -0.053 0.000 0.987 1294 D CA 1.086 55.052 54.000 -0.057 0.000 0.829 1294 D CB -0.256 40.558 40.800 0.023 0.000 0.961 1294 D HN 0.468 nan 8.370 nan 0.000 0.460 1295 I N 1.273 121.844 120.570 0.002 0.000 2.179 1295 I HA -0.248 3.920 4.170 -0.004 0.000 0.242 1295 I C 2.533 178.664 176.117 0.023 0.000 1.088 1295 I CA 1.122 62.432 61.300 0.015 0.000 1.357 1295 I CB -0.222 37.799 38.000 0.035 0.000 1.051 1295 I HN -0.089 nan 8.210 nan 0.000 0.409 1296 A N 0.514 123.374 122.820 0.065 0.000 1.908 1296 A HA -0.296 4.022 4.320 -0.004 0.000 0.218 1296 A C 2.352 179.965 177.584 0.047 0.000 1.181 1296 A CA 2.131 54.239 52.037 0.119 0.000 0.627 1296 A CB -0.615 18.552 19.000 0.280 0.000 0.818 1296 A HN 0.341 nan 8.150 nan 0.000 0.445 1297 K N -0.552 119.823 120.400 -0.041 0.000 2.103 1297 K HA -0.154 4.164 4.320 -0.004 0.000 0.207 1297 K C 2.009 178.562 176.600 -0.079 0.000 1.048 1297 K CA 1.609 57.839 56.287 -0.096 0.000 0.930 1297 K CB -0.048 32.309 32.500 -0.239 0.000 0.716 1297 K HN 0.291 nan 8.250 nan 0.000 0.444 1298 K N -0.022 120.345 120.400 -0.056 0.000 2.186 1298 K HA -0.044 4.273 4.320 -0.004 0.000 0.202 1298 K C 1.762 178.346 176.600 -0.027 0.000 1.052 1298 K CA 1.106 57.371 56.287 -0.036 0.000 0.965 1298 K CB 0.297 32.782 32.500 -0.024 0.000 0.746 1298 K HN 0.327 nan 8.250 nan 0.000 0.457 1299 Q N -0.772 119.017 119.800 -0.019 0.000 2.319 1299 Q HA 0.227 4.565 4.340 -0.004 0.000 0.209 1299 Q C 0.396 176.391 176.000 -0.008 0.000 0.884 1299 Q CA 0.092 55.892 55.803 -0.005 0.000 0.938 1299 Q CB 0.783 29.527 28.738 0.010 0.000 1.098 1299 Q HN 0.159 nan 8.270 nan 0.000 0.517 1300 M N -0.407 119.168 119.600 -0.042 0.000 2.662 1300 M HA 0.286 4.764 4.480 -0.004 0.000 0.310 1300 M C 0.245 176.458 176.300 -0.146 0.000 1.204 1300 M CA -0.399 54.858 55.300 -0.071 0.000 0.891 1300 M CB 1.981 34.523 32.600 -0.098 0.000 1.732 1300 M HN -0.125 nan 8.290 nan 0.000 0.467 1301 T N -2.437 112.048 114.554 -0.116 0.000 3.129 1301 T HA 0.587 4.935 4.350 -0.004 0.000 0.267 1301 T C 0.365 174.819 174.700 -0.410 0.000 1.018 1301 T CA 0.023 62.039 62.100 -0.140 0.000 0.903 1301 T CB 0.014 68.902 68.868 0.034 0.000 1.067 1301 T HN 0.968 nan 8.240 nan 0.000 0.549 1302 G N 0.072 108.380 108.800 -0.819 0.000 2.341 1302 G HA2 0.496 4.454 3.960 -0.004 0.000 0.299 1302 G HA3 0.496 4.454 3.960 -0.004 0.000 0.299 1302 G C -2.392 171.666 174.900 -1.402 0.000 1.274 1302 G CA -1.058 43.094 45.100 -1.580 0.000 0.853 1302 G HN 0.224 nan 8.290 nan 0.000 0.493 1303 Y N -0.324 119.590 120.300 -0.644 0.000 2.457 1303 Y HA 0.597 5.145 4.550 -0.004 0.000 0.343 1303 Y C 0.985 176.875 175.900 -0.016 0.000 0.994 1303 Y CA -0.253 57.752 58.100 -0.159 0.000 1.031 1303 Y CB 2.183 40.624 38.460 -0.031 0.000 1.246 1303 Y HN 0.899 nan 8.280 nan 0.000 0.449 1304 G N 0.352 109.251 108.800 0.165 0.000 2.647 1304 G HA2 0.302 4.260 3.960 -0.004 0.000 0.271 1304 G HA3 0.302 4.260 3.960 -0.004 0.000 0.271 1304 G C 0.436 175.389 174.900 0.089 0.000 1.300 1304 G CA -0.004 45.077 45.100 -0.031 0.000 0.997 1304 G HN 0.753 nan 8.290 nan 0.000 0.533 1305 S N -2.033 113.755 115.700 0.147 0.000 2.754 1305 S HA 0.289 4.757 4.470 -0.004 0.000 0.247 1305 S C 0.215 174.999 174.600 0.306 0.000 1.031 1305 S CA -0.329 58.048 58.200 0.296 0.000 1.014 1305 S CB 0.414 63.831 63.200 0.362 0.000 0.918 1305 S HN 0.418 nan 8.310 nan 0.000 0.519 1306 T N 3.514 118.128 114.554 0.101 0.000 2.758 1306 T HA 0.704 5.051 4.350 -0.004 0.000 0.285 1306 T C -0.717 174.048 174.700 0.107 0.000 0.981 1306 T CA -0.479 61.562 62.100 -0.098 0.000 0.965 1306 T CB 0.369 68.858 68.868 -0.632 0.000 0.927 1306 T HN 0.513 nan 8.240 nan 0.000 0.448 1307 F N 1.481 121.447 119.950 0.027 0.000 2.831 1307 F HA 0.833 5.358 4.527 -0.004 0.000 0.318 1307 F C -2.116 173.775 175.800 0.151 0.000 1.174 1307 F CA -1.772 56.274 58.000 0.076 0.000 0.918 1307 F CB 1.210 40.203 39.000 -0.013 0.000 1.364 1307 F HN 0.498 nan 8.300 nan 0.000 0.475 1308 L N 1.923 123.320 121.223 0.290 0.000 2.354 1308 L HA 0.862 5.200 4.340 -0.004 0.000 0.264 1308 L C -1.637 175.426 176.870 0.321 0.000 1.008 1308 L CA -0.885 54.024 54.840 0.115 0.000 0.819 1308 L CB 2.248 44.357 42.059 0.082 0.000 1.339 1308 L HN 0.815 nan 8.230 nan 0.000 0.420 1309 F N 0.421 120.434 119.950 0.105 0.000 2.643 1309 F HA 0.625 5.150 4.527 -0.004 0.000 0.314 1309 F C -0.992 174.865 175.800 0.095 0.000 1.096 1309 F CA -0.887 57.195 58.000 0.135 0.000 0.953 1309 F CB 1.360 40.455 39.000 0.158 0.000 1.345 1309 F HN 0.511 nan 8.300 nan 0.000 0.468 1310 E N 3.233 123.596 120.200 0.271 0.000 2.133 1310 E HA 0.374 4.722 4.350 -0.004 0.000 0.274 1310 E C -0.847 175.878 176.600 0.209 0.000 0.930 1310 E CA -0.879 55.614 56.400 0.156 0.000 0.770 1310 E CB 1.011 30.787 29.700 0.128 0.000 1.104 1310 E HN 0.608 nan 8.360 nan 0.000 0.403 1311 M N 3.022 122.717 119.600 0.159 0.000 2.219 1311 M HA 0.234 4.712 4.480 -0.004 0.000 0.280 1311 M C 0.875 177.238 176.300 0.106 0.000 1.189 1311 M CA -0.044 55.345 55.300 0.150 0.000 1.010 1311 M CB 0.291 32.965 32.600 0.124 0.000 1.422 1311 M HN 0.467 nan 8.290 nan 0.000 0.504 1312 K N 0.190 120.641 120.400 0.084 0.000 2.365 1312 K HA 0.033 4.351 4.320 -0.004 0.000 0.197 1312 K C 0.161 176.801 176.600 0.067 0.000 1.042 1312 K CA 0.391 56.718 56.287 0.066 0.000 0.987 1312 K CB 0.207 32.736 32.500 0.049 0.000 0.779 1312 K HN 0.789 nan 8.250 nan 0.000 0.484 1313 S N -1.833 113.912 115.700 0.075 0.000 2.587 1313 S HA 0.155 4.622 4.470 -0.004 0.000 0.269 1313 S C 0.171 174.846 174.600 0.126 0.000 1.154 1313 S CA -1.013 57.246 58.200 0.098 0.000 0.824 1313 S CB 0.233 63.473 63.200 0.066 0.000 1.118 1313 S HN 0.115 nan 8.310 nan 0.000 0.462 1314 F N 1.668 121.637 119.950 0.032 0.000 2.126 1314 F HA -0.056 4.468 4.527 -0.004 0.000 0.299 1314 F C 2.057 177.848 175.800 -0.015 0.000 1.096 1314 F CA 2.145 60.158 58.000 0.022 0.000 1.255 1314 F CB -0.181 38.834 39.000 0.025 0.000 0.997 1314 F HN 0.756 nan 8.300 nan 0.000 0.479 1315 E N 0.816 120.871 120.200 -0.242 0.000 2.110 1315 E HA -0.166 4.181 4.350 -0.004 0.000 0.193 1315 E C 2.257 178.716 176.600 -0.236 0.000 0.988 1315 E CA 1.329 57.535 56.400 -0.323 0.000 0.804 1315 E CB -0.599 29.033 29.700 -0.113 0.000 0.745 1315 E HN 0.519 nan 8.360 nan 0.000 0.458 1316 A N 0.788 123.535 122.820 -0.120 0.000 1.930 1316 A HA -0.016 4.302 4.320 -0.004 0.000 0.217 1316 A C 2.339 179.885 177.584 -0.063 0.000 1.175 1316 A CA 1.634 53.633 52.037 -0.063 0.000 0.627 1316 A CB -0.725 18.272 19.000 -0.006 0.000 0.815 1316 A HN 0.283 nan 8.150 nan 0.000 0.443 1317 A N 0.325 123.092 122.820 -0.088 0.000 1.877 1317 A HA -0.179 4.139 4.320 -0.004 0.000 0.216 1317 A C 2.130 179.623 177.584 -0.152 0.000 1.186 1317 A CA 2.073 54.070 52.037 -0.068 0.000 0.620 1317 A CB -0.474 18.522 19.000 -0.006 0.000 0.822 1317 A HN 0.603 nan 8.150 nan 0.000 0.443 1318 K N -0.059 120.132 120.400 -0.348 0.000 2.097 1318 K HA -0.167 4.151 4.320 -0.004 0.000 0.206 1318 K C 2.094 178.616 176.600 -0.129 0.000 1.049 1318 K CA 1.820 57.898 56.287 -0.348 0.000 0.933 1318 K CB -0.200 31.922 32.500 -0.630 0.000 0.717 1318 K HN 0.396 nan 8.250 nan 0.000 0.442 1319 K N 0.449 120.805 120.400 -0.074 0.000 2.097 1319 K HA -0.133 4.184 4.320 -0.004 0.000 0.205 1319 K C 2.180 178.893 176.600 0.189 0.000 1.050 1319 K CA 1.053 57.396 56.287 0.093 0.000 0.938 1319 K CB -0.137 32.356 32.500 -0.012 0.000 0.718 1319 K HN 0.179 nan 8.250 nan 0.000 0.442 1320 L N 1.182 122.451 121.223 0.077 0.000 1.989 1320 L HA -0.157 4.180 4.340 -0.004 0.000 0.211 1320 L C 2.112 179.047 176.870 0.107 0.000 1.071 1320 L CA 1.851 56.752 54.840 0.101 0.000 0.749 1320 L CB -0.367 41.758 42.059 0.109 0.000 0.890 1320 L HN 0.253 nan 8.230 nan 0.000 0.431 1321 M N -0.955 118.676 119.600 0.053 0.000 2.213 1321 M HA -0.183 4.295 4.480 -0.004 0.000 0.263 1321 M C 1.723 178.018 176.300 -0.007 0.000 1.062 1321 M CA 1.660 56.974 55.300 0.024 0.000 1.105 1321 M CB -0.258 32.335 32.600 -0.013 0.000 1.385 1321 M HN 0.339 nan 8.290 nan 0.000 0.417 1322 E N -1.221 118.955 120.200 -0.040 0.000 2.479 1322 E HA -0.015 4.333 4.350 -0.004 0.000 0.193 1322 E C 0.408 176.776 176.600 -0.387 0.000 1.049 1322 E CA 0.282 56.561 56.400 -0.202 0.000 0.870 1322 E CB 0.267 29.800 29.700 -0.279 0.000 0.944 1322 E HN 0.555 nan 8.360 nan 0.000 0.492 1323 H N -0.161 118.911 119.070 0.004 0.000 2.575 1323 H HA 0.235 4.789 4.556 -0.004 0.000 0.256 1323 H C -0.257 175.081 175.328 0.017 0.000 1.162 1323 H CA -0.110 55.945 56.048 0.012 0.000 0.969 1323 H CB 0.564 30.337 29.762 0.018 0.000 1.796 1323 H HN 0.011 nan 8.280 nan 0.000 0.607 1324 L N 1.232 122.498 121.223 0.073 0.000 2.325 1324 L HA 0.235 4.573 4.340 -0.004 0.000 0.279 1324 L C 1.067 177.956 176.870 0.031 0.000 1.054 1324 L CA -0.431 54.443 54.840 0.056 0.000 0.804 1324 L CB 1.396 43.485 42.059 0.049 0.000 1.200 1324 L HN -0.025 nan 8.230 nan 0.000 0.436 1325 K N 1.675 122.093 120.400 0.030 0.000 2.399 1325 K HA 0.137 4.455 4.320 -0.004 0.000 0.196 1325 K C 1.330 177.938 176.600 0.013 0.000 1.117 1325 K CA 0.472 56.770 56.287 0.019 0.000 0.965 1325 K CB 0.470 32.982 32.500 0.020 0.000 0.983 1325 K HN 0.414 nan 8.250 nan 0.000 0.531 1326 V N 1.698 121.621 119.914 0.015 0.000 2.403 1326 V HA -0.027 4.090 4.120 -0.004 0.000 0.239 1326 V C 1.326 177.429 176.094 0.015 0.000 1.041 1326 V CA 0.369 62.676 62.300 0.011 0.000 1.051 1326 V CB -0.255 31.572 31.823 0.007 0.000 0.704 1326 V HN 0.131 nan 8.190 nan 0.000 0.472 1327 C N 1.822 121.135 119.300 0.021 0.000 2.634 1327 C HA 0.339 4.796 4.460 -0.004 0.000 0.417 1327 C C 0.883 175.883 174.990 0.017 0.000 1.334 1327 C CA -0.038 58.995 59.018 0.024 0.000 1.829 1327 C CB -0.863 26.900 27.740 0.037 0.000 2.665 1327 C HN 0.484 nan 8.230 nan 0.000 0.614 1328 T N 3.458 118.020 114.554 0.012 0.000 2.797 1328 T HA 0.397 4.744 4.350 -0.004 0.000 0.279 1328 T C -0.345 174.359 174.700 0.007 0.000 0.991 1328 T CA -0.331 61.773 62.100 0.007 0.000 0.979 1328 T CB 1.058 69.928 68.868 0.003 0.000 0.943 1328 T HN 0.499 nan 8.240 nan 0.000 0.444 1329 L N 4.152 125.377 121.223 0.004 0.000 2.325 1329 L HA 0.663 5.001 4.340 -0.004 0.000 0.284 1329 L C -0.132 176.744 176.870 0.011 0.000 1.089 1329 L CA 0.465 55.310 54.840 0.008 0.000 0.836 1329 L CB -0.929 41.130 42.059 -0.000 0.000 1.184 1329 L HN 0.884 nan 8.230 nan 0.000 0.444 1330 A N 3.803 126.633 122.820 0.016 0.000 2.569 1330 A HA 0.564 4.882 4.320 -0.004 0.000 0.292 1330 A C -0.814 176.783 177.584 0.021 0.000 1.032 1330 A CA -0.230 51.817 52.037 0.016 0.000 0.669 1330 A CB 0.316 19.320 19.000 0.006 0.000 1.290 1330 A HN 1.114 nan 8.150 nan 0.000 0.422 1331 V N -0.342 119.588 119.914 0.028 0.000 3.441 1331 V HA 0.908 5.026 4.120 -0.004 0.000 0.300 1331 V C 0.643 176.743 176.094 0.011 0.000 1.062 1331 V CA 0.612 62.934 62.300 0.037 0.000 1.064 1331 V CB 0.851 32.709 31.823 0.060 0.000 1.197 1331 V HN 2.946 nan 8.190 nan 0.000 0.451 1332 S N -0.107 115.599 115.700 0.009 0.000 4.064 1332 S HA 0.026 4.494 4.470 -0.004 0.000 0.651 1332 S C -1.006 173.541 174.600 -0.088 0.000 1.268 1332 S CA 0.582 58.758 58.200 -0.041 0.000 1.421 1332 S CB -1.209 61.961 63.200 -0.051 0.000 0.335 1332 S HN 2.606 nan 8.310 nan 0.000 1.550 1333 L N -1.749 119.370 121.223 -0.173 0.000 2.940 1333 L HA 0.822 5.159 4.340 -0.004 0.000 0.270 1333 L C 0.885 177.463 176.870 -0.488 0.000 1.030 1333 L CA 0.039 54.702 54.840 -0.295 0.000 0.928 1333 L CB 0.829 42.688 42.059 -0.334 0.000 1.506 1333 L HN 2.271 nan 8.230 nan 0.000 0.405 1334 G N -0.693 107.645 108.800 -0.771 0.000 2.148 1334 G HA2 -0.200 3.757 3.960 -0.004 0.000 0.254 1334 G HA3 -0.200 3.757 3.960 -0.004 0.000 0.254 1334 G C 0.229 174.803 174.900 -0.543 0.000 0.981 1334 G CA 0.133 44.416 45.100 -1.362 0.000 0.670 1334 G HN 0.840 nan 8.290 nan 0.000 0.528 1335 C N -0.184 118.959 119.300 -0.260 0.000 2.443 1335 C HA 0.509 4.966 4.460 -0.004 0.000 0.369 1335 C C 2.514 177.529 174.990 0.042 0.000 1.241 1335 C CA -0.109 58.851 59.018 -0.096 0.000 2.413 1335 C CB 1.155 28.849 27.740 -0.077 0.000 2.451 1335 C HN 0.867 nan 8.230 nan 0.000 0.595 1336 V N -0.099 119.799 119.914 -0.028 0.000 2.594 1336 V HA -0.053 4.065 4.120 -0.004 0.000 0.253 1336 V C 0.744 176.843 176.094 0.008 0.000 1.069 1336 V CA 1.743 64.024 62.300 -0.032 0.000 1.082 1336 V CB -1.027 30.684 31.823 -0.187 0.000 0.680 1336 V HN 0.939 nan 8.190 nan 0.000 0.469 1337 D N -0.268 120.135 120.400 0.006 0.000 2.272 1337 D HA 0.238 4.876 4.640 -0.004 0.000 0.247 1337 D C -0.384 175.934 176.300 0.029 0.000 0.990 1337 D CA -0.446 53.563 54.000 0.015 0.000 0.931 1337 D CB 1.556 42.357 40.800 0.003 0.000 1.195 1337 D HN 0.131 nan 8.370 nan 0.000 0.477 1338 T N 1.233 115.807 114.554 0.033 0.000 2.851 1338 T HA 0.333 4.681 4.350 -0.004 0.000 0.298 1338 T C -0.125 174.584 174.700 0.014 0.000 0.977 1338 T CA -0.414 61.708 62.100 0.036 0.000 1.126 1338 T CB 0.308 69.204 68.868 0.046 0.000 0.916 1338 T HN 0.170 nan 8.240 nan 0.000 0.529 1339 L N 3.320 124.542 121.223 -0.001 0.000 2.341 1339 L HA 0.710 5.048 4.340 -0.004 0.000 0.267 1339 L C -0.231 176.634 176.870 -0.008 0.000 1.009 1339 L CA -0.899 53.935 54.840 -0.010 0.000 0.819 1339 L CB 1.690 43.730 42.059 -0.032 0.000 1.323 1339 L HN 0.641 nan 8.230 nan 0.000 0.425 1340 I N 0.843 121.415 120.570 0.004 0.000 2.802 1340 I HA 0.544 4.712 4.170 -0.004 0.000 0.298 1340 I C -1.247 174.881 176.117 0.018 0.000 1.176 1340 I CA -0.147 61.159 61.300 0.009 0.000 1.025 1340 I CB 2.133 40.155 38.000 0.038 0.000 1.243 1340 I HN 0.648 nan 8.210 nan 0.000 0.424 1341 E N 4.749 124.961 120.200 0.020 0.000 2.423 1341 E HA 0.223 4.571 4.350 -0.004 0.000 0.280 1341 E C -1.888 174.767 176.600 0.092 0.000 1.030 1341 E CA -0.610 55.824 56.400 0.057 0.000 0.812 1341 E CB 2.015 31.747 29.700 0.052 0.000 1.313 1341 E HN 0.715 nan 8.360 nan 0.000 0.456 1342 H N 3.486 122.565 119.070 0.014 0.000 2.725 1342 H HA 0.298 4.851 4.556 -0.004 0.000 0.283 1342 H C -2.033 173.322 175.328 0.046 0.000 1.110 1342 H CA -2.088 53.974 56.048 0.023 0.000 1.289 1342 H CB 1.558 31.361 29.762 0.069 0.000 1.400 1342 H HN 0.157 nan 8.280 nan 0.000 0.493 1343 P HA -0.163 nan 4.420 nan 0.000 0.216 1343 P C 1.352 178.577 177.300 -0.125 0.000 1.150 1343 P CA 1.816 64.876 63.100 -0.066 0.000 0.843 1343 P CB 0.209 31.840 31.700 -0.115 0.000 0.787 1344 A N -0.286 122.304 122.820 -0.384 0.000 1.972 1344 A HA -0.151 4.167 4.320 -0.004 0.000 0.219 1344 A C 2.069 179.596 177.584 -0.095 0.000 1.169 1344 A CA 2.249 54.133 52.037 -0.254 0.000 0.635 1344 A CB -1.193 17.612 19.000 -0.326 0.000 0.810 1344 A HN 0.367 nan 8.150 nan 0.000 0.446 1345 S N -2.996 112.703 115.700 -0.002 0.000 2.559 1345 S HA 0.507 4.975 4.470 -0.004 0.000 0.226 1345 S C 0.959 175.614 174.600 0.092 0.000 1.000 1345 S CA 0.152 58.420 58.200 0.113 0.000 0.948 1345 S CB 0.076 63.424 63.200 0.246 0.000 0.870 1345 S HN 0.437 nan 8.310 nan 0.000 0.497 1346 M N 1.113 120.757 119.600 0.074 0.000 2.784 1346 M HA 0.174 4.651 4.480 -0.004 0.000 0.189 1346 M C 2.153 178.477 176.300 0.041 0.000 1.961 1346 M CA 0.810 56.151 55.300 0.068 0.000 1.722 1346 M CB -0.613 32.047 32.600 0.099 0.000 1.182 1346 M HN 0.220 nan 8.290 nan 0.000 0.783 1347 T N -1.279 113.320 114.554 0.076 0.000 2.778 1347 T HA -0.161 4.186 4.350 -0.004 0.000 0.269 1347 T C 1.161 175.731 174.700 -0.216 0.000 1.050 1347 T CA 1.476 63.592 62.100 0.027 0.000 1.137 1347 T CB -0.570 68.410 68.868 0.186 0.000 0.860 1347 T HN 0.417 nan 8.240 nan 0.000 0.468 1348 H N -0.475 118.560 119.070 -0.058 0.000 2.662 1348 H HA 0.627 5.181 4.556 -0.004 0.000 0.268 1348 H C 2.101 177.376 175.328 -0.088 0.000 1.152 1348 H CA 0.160 56.153 56.048 -0.093 0.000 1.072 1348 H CB 0.400 30.113 29.762 -0.081 0.000 1.660 1348 H HN 0.486 nan 8.280 nan 0.000 0.584 1349 A N 1.058 123.874 122.820 -0.007 0.000 1.972 1349 A HA -0.032 4.286 4.320 -0.004 0.000 0.219 1349 A C 2.343 179.899 177.584 -0.046 0.000 1.169 1349 A CA 1.491 53.516 52.037 -0.021 0.000 0.635 1349 A CB -0.227 18.766 19.000 -0.011 0.000 0.810 1349 A HN 0.358 nan 8.150 nan 0.000 0.446 1350 A N -0.733 122.040 122.820 -0.078 0.000 2.251 1350 A HA 0.431 4.749 4.320 -0.004 0.000 0.209 1350 A C 0.726 178.253 177.584 -0.096 0.000 1.187 1350 A CA 0.001 51.983 52.037 -0.092 0.000 0.823 1350 A CB -0.358 18.574 19.000 -0.113 0.000 0.846 1350 A HN 0.216 nan 8.150 nan 0.000 0.486 1351 V N 2.636 122.501 119.914 -0.081 0.000 2.485 1351 V HA 0.093 4.211 4.120 -0.004 0.000 0.287 1351 V C -2.072 173.997 176.094 -0.043 0.000 1.022 1351 V CA -1.072 61.194 62.300 -0.056 0.000 1.067 1351 V CB 0.290 32.116 31.823 0.005 0.000 0.967 1351 V HN 0.308 nan 8.190 nan 0.000 0.479 1352 P HA 0.002 nan 4.420 nan 0.000 0.264 1352 P C 0.885 178.168 177.300 -0.029 0.000 1.183 1352 P CA 0.205 63.281 63.100 -0.039 0.000 0.763 1352 P CB 0.584 32.261 31.700 -0.038 0.000 0.807 1353 E N 2.070 122.253 120.200 -0.029 0.000 2.153 1353 E HA -0.258 4.090 4.350 -0.004 0.000 0.194 1353 E C 1.668 178.255 176.600 -0.021 0.000 0.988 1353 E CA 0.987 57.371 56.400 -0.026 0.000 0.811 1353 E CB -0.110 29.573 29.700 -0.029 0.000 0.746 1353 E HN 0.505 nan 8.360 nan 0.000 0.466 1354 N N 0.403 119.091 118.700 -0.019 0.000 2.058 1354 N HA -0.254 4.484 4.740 -0.004 0.000 0.200 1354 N C 1.763 177.267 175.510 -0.010 0.000 1.033 1354 N CA 2.326 55.367 53.050 -0.015 0.000 0.880 1354 N CB -0.149 38.328 38.487 -0.015 0.000 1.069 1354 N HN 0.096 nan 8.380 nan 0.000 0.461 1355 I N -0.468 120.097 120.570 -0.009 0.000 2.439 1355 I HA -0.161 4.007 4.170 -0.004 0.000 0.251 1355 I C 2.390 178.505 176.117 -0.004 0.000 1.139 1355 I CA 0.569 61.868 61.300 -0.001 0.000 1.438 1355 I CB -0.196 37.806 38.000 0.004 0.000 1.085 1355 I HN 0.370 nan 8.210 nan 0.000 0.427 1356 M N 1.458 121.052 119.600 -0.010 0.000 2.106 1356 M HA -0.237 4.240 4.480 -0.004 0.000 0.259 1356 M C 2.372 178.656 176.300 -0.027 0.000 1.068 1356 M CA 1.897 57.185 55.300 -0.019 0.000 1.100 1356 M CB -0.231 32.354 32.600 -0.024 0.000 1.351 1356 M HN 0.125 nan 8.290 nan 0.000 0.404 1357 R N 0.137 120.625 120.500 -0.020 0.000 2.173 1357 R HA -0.014 4.324 4.340 -0.004 0.000 0.208 1357 R C 1.941 178.233 176.300 -0.013 0.000 1.035 1357 R CA 1.309 57.398 56.100 -0.018 0.000 1.004 1357 R CB -0.889 29.402 30.300 -0.015 0.000 0.917 1357 R HN 0.527 nan 8.270 nan 0.000 0.462 1358 K N 1.367 121.762 120.400 -0.008 0.000 2.288 1358 K HA -0.082 4.235 4.320 -0.004 0.000 0.201 1358 K C 1.709 178.307 176.600 -0.005 0.000 1.048 1358 K CA 1.082 57.367 56.287 -0.003 0.000 0.956 1358 K CB -0.025 32.477 32.500 0.003 0.000 0.746 1358 K HN 0.233 nan 8.250 nan 0.000 0.461 1359 Q N 0.436 120.228 119.800 -0.013 0.000 2.311 1359 Q HA 0.024 4.361 4.340 -0.004 0.000 0.203 1359 Q C 0.687 176.667 176.000 -0.033 0.000 0.954 1359 Q CA 0.705 56.492 55.803 -0.027 0.000 0.885 1359 Q CB 0.153 28.861 28.738 -0.050 0.000 0.963 1359 Q HN 0.686 nan 8.270 nan 0.000 0.471 1360 G N 1.485 110.268 108.800 -0.028 0.000 2.182 1360 G HA2 -0.258 3.700 3.960 -0.004 0.000 0.248 1360 G HA3 -0.258 3.700 3.960 -0.004 0.000 0.248 1360 G C -0.093 174.783 174.900 -0.040 0.000 1.042 1360 G CA -0.150 44.937 45.100 -0.023 0.000 0.775 1360 G HN 0.285 nan 8.290 nan 0.000 0.501 1361 I N 2.051 122.582 120.570 -0.065 0.000 2.304 1361 I HA 0.469 4.637 4.170 -0.004 0.000 0.291 1361 I C 0.939 177.009 176.117 -0.078 0.000 1.018 1361 I CA 0.130 61.373 61.300 -0.096 0.000 1.260 1361 I CB 1.262 39.174 38.000 -0.146 0.000 1.390 1361 I HN 0.325 nan 8.210 nan 0.000 0.475 1362 T N 2.646 117.158 114.554 -0.070 0.000 2.926 1362 T HA 0.463 4.811 4.350 -0.004 0.000 0.289 1362 T C -2.307 172.370 174.700 -0.038 0.000 1.054 1362 T CA -2.032 60.042 62.100 -0.043 0.000 1.015 1362 T CB 2.042 70.907 68.868 -0.005 0.000 1.167 1362 T HN 0.156 nan 8.240 nan 0.000 0.526 1363 P HA 0.090 nan 4.420 nan 0.000 0.230 1363 P C 0.651 178.176 177.300 0.375 0.000 1.158 1363 P CA 0.643 63.851 63.100 0.181 0.000 0.769 1363 P CB 0.027 31.764 31.700 0.061 0.000 0.807 1364 E N -1.049 119.266 120.200 0.191 0.000 2.502 1364 E HA 0.070 4.418 4.350 -0.004 0.000 0.194 1364 E C 0.371 177.027 176.600 0.092 0.000 1.062 1364 E CA 0.182 56.683 56.400 0.168 0.000 0.867 1364 E CB -0.343 29.424 29.700 0.111 0.000 0.888 1364 E HN 0.281 nan 8.360 nan 0.000 0.510 1365 L N 0.610 121.852 121.223 0.031 0.000 2.334 1365 L HA 0.421 4.758 4.340 -0.004 0.000 0.277 1365 L C -0.368 176.412 176.870 -0.150 0.000 1.075 1365 L CA -0.901 53.883 54.840 -0.094 0.000 0.804 1365 L CB 1.303 43.299 42.059 -0.105 0.000 1.174 1365 L HN -0.209 nan 8.230 nan 0.000 0.438 1366 V N 3.087 122.756 119.914 -0.408 0.000 2.656 1366 V HA 0.469 4.586 4.120 -0.004 0.000 0.307 1366 V C -0.210 175.552 176.094 -0.553 0.000 1.051 1366 V CA -0.710 61.304 62.300 -0.477 0.000 0.893 1366 V CB 2.192 33.553 31.823 -0.769 0.000 0.999 1366 V HN 0.703 nan 8.190 nan 0.000 0.426 1367 R N 3.768 124.109 120.500 -0.266 0.000 2.393 1367 R HA 0.717 5.055 4.340 -0.004 0.000 0.310 1367 R C -1.352 174.854 176.300 -0.157 0.000 0.968 1367 R CA -0.527 55.463 56.100 -0.184 0.000 0.867 1367 R CB 1.559 31.836 30.300 -0.040 0.000 1.124 1367 R HN 0.784 nan 8.270 nan 0.000 0.450 1368 I N 2.135 122.571 120.570 -0.224 0.000 2.509 1368 I HA 0.255 4.423 4.170 -0.004 0.000 0.293 1368 I C -1.030 174.953 176.117 -0.223 0.000 1.020 1368 I CA -0.359 60.833 61.300 -0.180 0.000 1.088 1368 I CB 2.159 40.087 38.000 -0.121 0.000 1.267 1368 I HN 0.578 nan 8.210 nan 0.000 0.430 1369 S N 6.818 122.451 115.700 -0.111 0.000 2.594 1369 S HA 0.470 4.938 4.470 -0.004 0.000 0.322 1369 S C -0.830 173.782 174.600 0.019 0.000 1.085 1369 S CA -0.546 57.603 58.200 -0.086 0.000 1.116 1369 S CB 0.643 63.755 63.200 -0.147 0.000 0.979 1369 S HN 0.405 nan 8.310 nan 0.000 0.465 1370 V N 5.665 125.656 119.914 0.129 0.000 2.488 1370 V HA 0.506 4.623 4.120 -0.004 0.000 0.277 1370 V C 1.426 177.703 176.094 0.305 0.000 1.046 1370 V CA 0.090 62.513 62.300 0.205 0.000 0.986 1370 V CB 0.830 32.829 31.823 0.293 0.000 0.989 1370 V HN 0.934 nan 8.190 nan 0.000 0.475 1371 G N 3.771 112.702 108.800 0.220 0.000 2.509 1371 G HA2 0.428 4.385 3.960 -0.004 0.000 0.269 1371 G HA3 0.428 4.385 3.960 -0.004 0.000 0.269 1371 G C 0.630 175.571 174.900 0.069 0.000 1.416 1371 G CA -0.311 44.928 45.100 0.231 0.000 1.052 1371 G HN 0.894 nan 8.290 nan 0.000 0.542 1372 I N -2.036 118.484 120.570 -0.084 0.000 3.904 1372 I HA 0.377 4.545 4.170 -0.004 0.000 0.333 1372 I C -0.110 175.971 176.117 -0.060 0.000 1.361 1372 I CA -0.314 60.899 61.300 -0.145 0.000 1.116 1372 I CB -0.134 37.720 38.000 -0.244 0.000 1.028 1372 I HN 0.122 nan 8.210 nan 0.000 0.398 1373 E N 2.373 122.559 120.200 -0.023 0.000 2.461 1373 E HA -0.078 4.270 4.350 -0.004 0.000 0.263 1373 E C 0.048 176.641 176.600 -0.011 0.000 1.143 1373 E CA 0.167 56.559 56.400 -0.012 0.000 0.994 1373 E CB 0.168 29.868 29.700 -0.001 0.000 0.973 1373 E HN 0.403 nan 8.360 nan 0.000 0.457 1374 N N 0.478 119.171 118.700 -0.012 0.000 2.411 1374 N HA -0.103 4.635 4.740 -0.004 0.000 0.261 1374 N C 0.704 176.206 175.510 -0.015 0.000 1.248 1374 N CA 0.047 53.089 53.050 -0.013 0.000 0.885 1374 N CB 0.666 39.145 38.487 -0.015 0.000 1.062 1374 N HN 0.345 nan 8.380 nan 0.000 0.471 1375 V N 3.359 123.266 119.914 -0.012 0.000 2.490 1375 V HA -0.212 3.906 4.120 -0.004 0.000 0.250 1375 V C 1.072 177.136 176.094 -0.049 0.000 1.061 1375 V CA 1.988 64.280 62.300 -0.014 0.000 1.064 1375 V CB -0.465 31.358 31.823 0.000 0.000 0.670 1375 V HN 0.778 nan 8.190 nan 0.000 0.461 1376 D N -0.086 120.283 120.400 -0.053 0.000 2.178 1376 D HA -0.142 4.496 4.640 -0.004 0.000 0.201 1376 D C 1.827 178.077 176.300 -0.084 0.000 0.980 1376 D CA 1.476 55.429 54.000 -0.079 0.000 0.842 1376 D CB -0.264 40.502 40.800 -0.057 0.000 0.948 1376 D HN 0.514 nan 8.370 nan 0.000 0.472 1377 D N 0.433 120.800 120.400 -0.054 0.000 2.117 1377 D HA -0.050 4.588 4.640 -0.004 0.000 0.198 1377 D C 2.350 178.620 176.300 -0.051 0.000 0.982 1377 D CA 0.329 54.302 54.000 -0.045 0.000 0.828 1377 D CB -0.169 40.616 40.800 -0.025 0.000 0.967 1377 D HN 0.278 nan 8.370 nan 0.000 0.464 1378 I N 0.741 121.284 120.570 -0.046 0.000 2.179 1378 I HA -0.230 3.938 4.170 -0.004 0.000 0.242 1378 I C 2.427 178.488 176.117 -0.094 0.000 1.088 1378 I CA 0.845 62.123 61.300 -0.038 0.000 1.357 1378 I CB -0.201 37.798 38.000 -0.002 0.000 1.051 1378 I HN -0.067 nan 8.210 nan 0.000 0.409 1379 I N 0.812 121.275 120.570 -0.178 0.000 2.286 1379 I HA -0.278 3.890 4.170 -0.004 0.000 0.248 1379 I C 2.748 178.636 176.117 -0.380 0.000 1.115 1379 I CA 1.315 62.369 61.300 -0.410 0.000 1.392 1379 I CB -0.422 37.235 38.000 -0.572 0.000 1.065 1379 I HN 0.197 nan 8.210 nan 0.000 0.418 1380 A N 0.128 122.815 122.820 -0.221 0.000 1.969 1380 A HA -0.266 4.052 4.320 -0.004 0.000 0.218 1380 A C 1.972 179.513 177.584 -0.072 0.000 1.169 1380 A CA 2.089 54.045 52.037 -0.136 0.000 0.635 1380 A CB -0.557 18.393 19.000 -0.083 0.000 0.810 1380 A HN 0.431 nan 8.150 nan 0.000 0.445 1381 D N -0.042 120.325 120.400 -0.056 0.000 2.117 1381 D HA -0.099 4.539 4.640 -0.004 0.000 0.198 1381 D C 1.828 178.133 176.300 0.009 0.000 0.982 1381 D CA 1.197 55.190 54.000 -0.011 0.000 0.828 1381 D CB -0.202 40.596 40.800 -0.003 0.000 0.967 1381 D HN 0.412 nan 8.370 nan 0.000 0.464 1382 L N 0.069 121.290 121.223 -0.003 0.000 2.046 1382 L HA -0.114 4.224 4.340 -0.004 0.000 0.208 1382 L C 2.634 179.551 176.870 0.077 0.000 1.077 1382 L CA 1.134 56.004 54.840 0.049 0.000 0.747 1382 L CB -0.464 41.652 42.059 0.095 0.000 0.896 1382 L HN 0.033 nan 8.230 nan 0.000 0.432 1383 K N 0.381 120.822 120.400 0.070 0.000 2.026 1383 K HA -0.267 4.051 4.320 -0.004 0.000 0.208 1383 K C 2.226 178.891 176.600 0.109 0.000 1.048 1383 K CA 1.936 58.324 56.287 0.169 0.000 0.929 1383 K CB 0.011 32.578 32.500 0.112 0.000 0.713 1383 K HN 0.364 nan 8.250 nan 0.000 0.439 1384 Q N 0.053 119.890 119.800 0.061 0.000 2.124 1384 Q HA -0.086 4.252 4.340 -0.004 0.000 0.202 1384 Q C 1.760 177.794 176.000 0.057 0.000 0.977 1384 Q CA 1.779 57.617 55.803 0.059 0.000 0.850 1384 Q CB -0.527 28.236 28.738 0.042 0.000 0.901 1384 Q HN 0.291 nan 8.270 nan 0.000 0.429 1385 A N 0.919 123.773 122.820 0.056 0.000 1.929 1385 A HA 0.042 4.360 4.320 -0.004 0.000 0.216 1385 A C 2.167 179.767 177.584 0.026 0.000 1.176 1385 A CA 1.066 53.136 52.037 0.055 0.000 0.628 1385 A CB -0.642 18.411 19.000 0.088 0.000 0.816 1385 A HN 0.392 nan 8.150 nan 0.000 0.444 1386 L N -0.800 120.432 121.223 0.015 0.000 2.201 1386 L HA -0.123 4.214 4.340 -0.004 0.000 0.212 1386 L C 1.766 178.670 176.870 0.056 0.000 1.105 1386 L CA 1.162 55.988 54.840 -0.023 0.000 0.775 1386 L CB -0.283 41.631 42.059 -0.242 0.000 0.913 1386 L HN 0.435 nan 8.230 nan 0.000 0.440 1387 E N -0.261 119.991 120.200 0.086 0.000 2.444 1387 E HA 0.153 4.501 4.350 -0.004 0.000 0.191 1387 E C 0.148 176.791 176.600 0.072 0.000 1.041 1387 E CA -0.330 56.132 56.400 0.102 0.000 0.883 1387 E CB 0.379 30.159 29.700 0.133 0.000 1.024 1387 E HN 0.345 nan 8.360 nan 0.000 0.470 1388 L N 1.969 123.215 121.223 0.037 0.000 2.490 1388 L HA -0.017 4.320 4.340 -0.004 0.000 0.274 1388 L C 0.945 177.859 176.870 0.074 0.000 1.201 1388 L CA -0.170 54.691 54.840 0.035 0.000 0.869 1388 L CB 0.307 42.321 42.059 -0.074 0.000 1.123 1388 L HN 0.360 nan 8.230 nan 0.000 0.484 1389 W N 0.000 121.269 121.300 -0.052 0.000 2.388 1389 W HA 0.000 4.658 4.660 -0.004 0.000 0.303 1389 W CA 0.000 57.319 57.345 -0.043 0.000 1.226 1389 W CB 0.000 29.437 29.460 -0.038 0.000 1.126 1389 W HN 0.000 nan 8.180 nan 0.000 0.535