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 1qr6_1_B DATA FIRST_RESID 1023 DATA SEQUENCE EKGKPLXLNP RTNKGXAFTL QERQXLGLQG LLPPKIETQD IQALRFHRNL DATA SEQUENCE KKXTSPLEKY IYIXGIQERN EKLFYRILQD DIESLXPIVY TPTVGLACSQ DATA SEQUENCE YGHIFRRPKG LFISISDRGH VRSIVDNWPE NHVKAVVVTD GERILGLGDL DATA SEQUENCE GVYGXGIPVG KLCLYTACAG IRPDRCLPVC IDVGTDNIAL LKDPFYXGLY DATA SEQUENCE QKRDRTQQYD DLIDEFXKAI TDRYGRNTLI QFEDFGNHNA FRFLRKYREK DATA SEQUENCE YCTFNDDIQG TAAVALAGLL AAQKVISKPI SEHKILFLGA GEAALGIANL DATA SEQUENCE IVXSXVENGL SEQEAQKKIW XFDKYGLLVK GRKAKIDSYQ EPFTHSAPES DATA SEQUENCE IPDTFEDAVN ILKPSTIIGV AGAGRLFTPD VIRAXASINE RPVIFALSNP DATA SEQUENCE TAQAECTAEE AYTLTEGRCL FASGSPFGPV KLTDGRVFTP GQGNNVYIFP DATA SEQUENCE GVALAVILCN TRHISDSVFL EAAKALTSQL TDEELAQGRL YPPLANIQEV DATA SEQUENCE SINIAIKVTE YLYANKXAFR YPEPEDKAKY VKERTWRSEY DSLLPDVYEW DATA SEQUENCE P 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 1023 E HA 0.000 nan 4.350 nan 0.000 0.291 1023 E C 0.000 176.583 176.600 -0.028 0.000 1.382 1023 E CA 0.000 56.391 56.400 -0.016 0.000 0.976 1023 E CB 0.000 29.688 29.700 -0.020 0.000 0.812 1024 K N 0.213 120.587 120.400 -0.042 0.000 2.395 1024 K HA 0.596 4.897 4.320 -0.032 0.000 0.245 1024 K C 0.184 176.737 176.600 -0.078 0.000 1.017 1024 K CA -0.157 56.089 56.287 -0.068 0.000 0.852 1024 K CB 2.054 34.514 32.500 -0.066 0.000 1.311 1024 K HN 0.814 nan 8.250 nan 0.000 0.452 1025 G N 1.448 110.179 108.800 -0.115 0.000 2.645 1025 G HA2 -0.346 3.595 3.960 -0.032 0.000 0.246 1025 G HA3 -0.346 3.595 3.960 -0.032 0.000 0.246 1025 G C 0.708 175.550 174.900 -0.097 0.000 1.322 1025 G CA 0.535 45.568 45.100 -0.111 0.000 0.898 1025 G HN 0.712 nan 8.290 nan 0.000 0.573 1026 K N 0.844 121.203 120.400 -0.068 0.000 2.097 1026 K HA -0.208 4.093 4.320 -0.032 0.000 0.214 1026 K C 0.112 176.699 176.600 -0.021 0.000 1.052 1026 K CA 2.592 58.855 56.287 -0.041 0.000 0.932 1026 K CB -0.999 31.483 32.500 -0.029 0.000 0.716 1026 K HN 0.363 nan 8.250 nan 0.000 0.455 1027 P HA -0.142 nan 4.420 nan 0.000 0.219 1027 P C 0.553 177.857 177.300 0.008 0.000 1.146 1027 P CA 0.585 63.680 63.100 -0.009 0.000 0.808 1027 P CB 0.036 31.727 31.700 -0.015 0.000 0.779 1031 N N 1.892 120.609 118.700 0.028 0.000 2.444 1031 N HA 0.367 5.088 4.740 -0.032 0.000 0.262 1031 N C -1.846 173.685 175.510 0.034 0.000 0.974 1031 N CA -1.574 51.489 53.050 0.021 0.000 0.933 1031 N CB 1.980 40.483 38.487 0.028 0.000 1.137 1031 N HN -0.188 nan 8.380 nan 0.000 0.498 1032 P HA -0.048 nan 4.420 nan 0.000 0.221 1032 P C 0.751 178.094 177.300 0.071 0.000 1.150 1032 P CA 0.910 64.027 63.100 0.028 0.000 0.800 1032 P CB 0.309 32.005 31.700 -0.008 0.000 0.787 1033 R N -0.618 119.923 120.500 0.069 0.000 2.280 1033 R HA 0.037 4.358 4.340 -0.032 0.000 0.207 1033 R C 1.359 177.727 176.300 0.114 0.000 1.043 1033 R CA 1.716 57.881 56.100 0.108 0.000 1.006 1033 R CB -0.698 29.650 30.300 0.080 0.000 0.885 1033 R HN 0.367 nan 8.270 nan 0.000 0.467 1034 T N -3.760 110.845 114.554 0.086 0.000 3.010 1034 T HA 0.009 4.340 4.350 -0.032 0.000 0.252 1034 T C 0.684 175.410 174.700 0.045 0.000 0.963 1034 T CA -0.508 61.642 62.100 0.084 0.000 0.952 1034 T CB -0.229 68.701 68.868 0.104 0.000 1.182 1034 T HN -0.035 nan 8.240 nan 0.000 0.495 1035 N N 2.541 121.271 118.700 0.050 0.000 2.365 1035 N HA 0.038 4.758 4.740 -0.032 0.000 0.265 1035 N C 0.568 175.866 175.510 -0.353 0.000 1.288 1035 N CA 0.341 53.381 53.050 -0.016 0.000 0.869 1035 N CB 0.494 39.005 38.487 0.040 0.000 1.071 1035 N HN 0.339 nan 8.380 nan 0.000 0.480 1036 K N 2.522 122.284 120.400 -1.063 0.000 2.358 1036 K HA 0.191 4.492 4.320 -0.032 0.000 0.200 1036 K C 0.920 177.003 176.600 -0.861 0.000 1.030 1036 K CA 0.163 55.646 56.287 -1.339 0.000 1.097 1036 K CB 0.066 31.397 32.500 -1.949 0.000 0.862 1036 K HN 0.793 nan 8.250 nan 0.000 0.534 1040 F N 2.885 122.771 119.950 -0.107 0.000 2.538 1040 F HA 0.341 4.858 4.527 -0.016 0.000 0.371 1040 F C 1.746 177.516 175.800 -0.051 0.000 1.087 1040 F CA 1.080 59.020 58.000 -0.100 0.000 1.250 1040 F CB 1.034 39.983 39.000 -0.084 0.000 1.110 1040 F HN 0.307 nan 8.300 nan 0.000 0.570 1041 T N 1.597 116.249 114.554 0.164 0.000 2.726 1041 T HA 0.070 4.401 4.350 -0.032 0.000 0.294 1041 T C 0.999 175.741 174.700 0.071 0.000 1.013 1041 T CA -0.848 61.306 62.100 0.090 0.000 0.996 1041 T CB 0.896 69.802 68.868 0.063 0.000 1.016 1041 T HN 0.552 nan 8.240 nan 0.000 0.529 1042 L N 0.636 121.885 121.223 0.042 0.000 2.017 1042 L HA -0.036 4.285 4.340 -0.032 0.000 0.208 1042 L C 2.901 179.775 176.870 0.007 0.000 1.073 1042 L CA 1.698 56.551 54.840 0.022 0.000 0.745 1042 L CB -1.189 40.880 42.059 0.016 0.000 0.894 1042 L HN 0.734 nan 8.230 nan 0.000 0.432 1043 Q N -0.287 119.519 119.800 0.011 0.000 2.061 1043 Q HA -0.248 4.072 4.340 -0.032 0.000 0.204 1043 Q C 2.095 178.089 176.000 -0.009 0.000 0.984 1043 Q CA 2.194 57.998 55.803 0.001 0.000 0.846 1043 Q CB -0.208 28.535 28.738 0.009 0.000 0.902 1043 Q HN 0.689 nan 8.270 nan 0.000 0.421 1044 E N 0.291 120.496 120.200 0.008 0.000 2.077 1044 E HA -0.165 4.166 4.350 -0.032 0.000 0.193 1044 E C 2.162 178.698 176.600 -0.106 0.000 0.989 1044 E CA 0.635 57.027 56.400 -0.013 0.000 0.800 1044 E CB -0.089 29.661 29.700 0.083 0.000 0.746 1044 E HN 0.232 nan 8.360 nan 0.000 0.452 1045 R N 0.965 121.411 120.500 -0.091 0.000 2.083 1045 R HA -0.091 4.230 4.340 -0.032 0.000 0.237 1045 R C 1.370 177.598 176.300 -0.121 0.000 1.137 1045 R CA 1.006 57.016 56.100 -0.150 0.000 0.951 1045 R CB -0.127 30.133 30.300 -0.066 0.000 0.851 1045 R HN 0.192 nan 8.270 nan 0.000 0.434 1049 G N 1.242 109.966 108.800 -0.128 0.000 2.256 1049 G HA2 -0.269 3.672 3.960 -0.032 0.000 0.272 1049 G HA3 -0.269 3.672 3.960 -0.032 0.000 0.272 1049 G C 0.674 175.494 174.900 -0.134 0.000 1.076 1049 G CA 0.726 45.760 45.100 -0.110 0.000 0.882 1049 G HN 0.345 nan 8.290 nan 0.000 0.497 1050 L N -1.352 119.770 121.223 -0.168 0.000 2.642 1050 L HA 0.300 4.621 4.340 -0.032 0.000 0.233 1050 L C 1.444 178.247 176.870 -0.110 0.000 1.077 1050 L CA -0.167 54.563 54.840 -0.182 0.000 0.879 1050 L CB 0.049 41.903 42.059 -0.341 0.000 1.151 1050 L HN 0.309 nan 8.230 nan 0.000 0.495 1051 Q N 1.202 120.947 119.800 -0.091 0.000 2.304 1051 Q HA 0.165 4.485 4.340 -0.032 0.000 0.315 1051 Q C 1.227 177.203 176.000 -0.040 0.000 1.075 1051 Q CA 1.642 57.413 55.803 -0.054 0.000 0.988 1051 Q CB 0.427 29.138 28.738 -0.045 0.000 1.146 1051 Q HN 0.383 nan 8.270 nan 0.000 0.383 1052 G N 2.964 111.749 108.800 -0.025 0.000 2.284 1052 G HA2 -0.283 3.657 3.960 -0.032 0.000 0.247 1052 G HA3 -0.283 3.657 3.960 -0.032 0.000 0.247 1052 G C 0.571 175.463 174.900 -0.014 0.000 1.012 1052 G CA 0.346 45.436 45.100 -0.017 0.000 0.618 1052 G HN 0.577 nan 8.290 nan 0.000 0.521 1053 L N 0.114 121.323 121.223 -0.023 0.000 2.492 1053 L HA 0.420 4.741 4.340 -0.032 0.000 0.223 1053 L C 1.105 177.978 176.870 0.005 0.000 1.132 1053 L CA 0.536 55.367 54.840 -0.016 0.000 0.850 1053 L CB -0.090 41.949 42.059 -0.034 0.000 0.966 1053 L HN 0.230 nan 8.230 nan 0.000 0.454 1054 L N -1.099 120.132 121.223 0.013 0.000 2.333 1054 L HA 0.477 4.798 4.340 -0.032 0.000 0.263 1054 L C -2.193 174.696 176.870 0.032 0.000 1.014 1054 L CA -1.992 52.871 54.840 0.038 0.000 0.820 1054 L CB 1.526 43.628 42.059 0.071 0.000 1.352 1054 L HN -0.230 nan 8.230 nan 0.000 0.421 1055 P HA 0.115 nan 4.420 nan 0.000 0.269 1055 P C -2.240 175.079 177.300 0.030 0.000 1.217 1055 P CA -0.879 62.239 63.100 0.030 0.000 0.783 1055 P CB -0.155 31.565 31.700 0.033 0.000 0.898 1056 P HA -0.026 nan 4.420 nan 0.000 0.250 1056 P C -0.166 177.150 177.300 0.026 0.000 1.239 1056 P CA 1.011 64.124 63.100 0.021 0.000 0.756 1056 P CB 0.011 31.721 31.700 0.016 0.000 1.013 1057 K N 0.539 120.958 120.400 0.033 0.000 2.345 1057 K HA 0.448 4.749 4.320 -0.032 0.000 0.255 1057 K C -0.976 175.650 176.600 0.044 0.000 0.934 1057 K CA -0.728 55.580 56.287 0.035 0.000 0.801 1057 K CB 0.933 33.453 32.500 0.034 0.000 1.137 1057 K HN -0.197 nan 8.250 nan 0.000 0.424 1058 I N 3.348 123.944 120.570 0.044 0.000 2.331 1058 I HA 0.269 4.419 4.170 -0.032 0.000 0.292 1058 I C -0.093 176.053 176.117 0.049 0.000 0.998 1058 I CA -0.371 60.959 61.300 0.051 0.000 1.267 1058 I CB 1.616 39.646 38.000 0.049 0.000 1.386 1058 I HN 0.635 nan 8.210 nan 0.000 0.476 1059 E N 3.492 123.724 120.200 0.053 0.000 2.244 1059 E HA 0.450 4.781 4.350 -0.032 0.000 0.266 1059 E C -0.542 176.099 176.600 0.067 0.000 0.914 1059 E CA -0.776 55.658 56.400 0.057 0.000 0.794 1059 E CB 2.105 31.842 29.700 0.062 0.000 1.210 1059 E HN 0.654 nan 8.360 nan 0.000 0.414 1060 T N -1.687 112.908 114.554 0.068 0.000 2.881 1060 T HA 0.093 4.423 4.350 -0.032 0.000 0.278 1060 T C 1.012 175.769 174.700 0.095 0.000 0.982 1060 T CA -0.555 61.593 62.100 0.080 0.000 0.989 1060 T CB 1.486 70.384 68.868 0.050 0.000 1.058 1060 T HN 0.485 nan 8.240 nan 0.000 0.529 1061 Q N -0.209 119.642 119.800 0.085 0.000 2.170 1061 Q HA -0.161 4.160 4.340 -0.032 0.000 0.203 1061 Q C 1.291 177.270 176.000 -0.034 0.000 0.976 1061 Q CA 1.722 57.513 55.803 -0.019 0.000 0.858 1061 Q CB -0.164 28.409 28.738 -0.275 0.000 0.907 1061 Q HN 0.705 nan 8.270 nan 0.000 0.433 1062 D N 0.349 120.738 120.400 -0.018 0.000 2.097 1062 D HA -0.155 4.465 4.640 -0.032 0.000 0.195 1062 D C 1.825 178.139 176.300 0.024 0.000 0.989 1062 D CA 1.086 55.081 54.000 -0.009 0.000 0.827 1062 D CB -0.235 40.562 40.800 -0.006 0.000 0.966 1062 D HN 0.338 nan 8.370 nan 0.000 0.456 1063 I N 0.837 121.430 120.570 0.039 0.000 2.286 1063 I HA -0.270 3.881 4.170 -0.032 0.000 0.248 1063 I C 2.374 178.536 176.117 0.076 0.000 1.115 1063 I CA 1.049 62.383 61.300 0.056 0.000 1.392 1063 I CB -0.294 37.739 38.000 0.054 0.000 1.065 1063 I HN -0.017 nan 8.210 nan 0.000 0.418 1064 Q N 0.823 120.669 119.800 0.077 0.000 2.079 1064 Q HA -0.154 4.167 4.340 -0.032 0.000 0.200 1064 Q C 2.515 178.588 176.000 0.120 0.000 0.974 1064 Q CA 1.628 57.489 55.803 0.098 0.000 0.840 1064 Q CB -0.331 28.463 28.738 0.093 0.000 0.898 1064 Q HN 0.587 nan 8.270 nan 0.000 0.430 1065 A N 0.916 123.783 122.820 0.078 0.000 1.898 1065 A HA -0.160 4.140 4.320 -0.032 0.000 0.216 1065 A C 2.031 179.741 177.584 0.211 0.000 1.181 1065 A CA 1.002 53.099 52.037 0.100 0.000 0.620 1065 A CB -0.514 18.489 19.000 0.006 0.000 0.819 1065 A HN 0.253 nan 8.150 nan 0.000 0.442 1066 L N -0.093 121.220 121.223 0.150 0.000 2.127 1066 L HA -0.130 4.190 4.340 -0.032 0.000 0.211 1066 L C 2.507 179.492 176.870 0.192 0.000 1.089 1066 L CA 2.141 57.084 54.840 0.172 0.000 0.757 1066 L CB -0.773 41.351 42.059 0.109 0.000 0.899 1066 L HN 0.551 nan 8.230 nan 0.000 0.434 1067 R N -1.340 119.265 120.500 0.176 0.000 2.066 1067 R HA -0.218 4.102 4.340 -0.032 0.000 0.232 1067 R C 2.480 178.903 176.300 0.205 0.000 1.131 1067 R CA 1.715 57.909 56.100 0.157 0.000 0.955 1067 R CB -0.553 29.834 30.300 0.145 0.000 0.851 1067 R HN 0.330 nan 8.270 nan 0.000 0.432 1068 F N 1.122 121.158 119.950 0.144 0.000 2.134 1068 F HA -0.238 4.270 4.527 -0.032 0.000 0.299 1068 F C 2.391 178.323 175.800 0.220 0.000 1.097 1068 F CA 2.045 60.171 58.000 0.211 0.000 1.264 1068 F CB -0.626 38.443 39.000 0.114 0.000 1.001 1068 F HN 0.166 nan 8.300 nan 0.000 0.479 1069 H N 0.208 119.373 119.070 0.158 0.000 2.353 1069 H HA -0.200 4.336 4.556 -0.033 0.000 0.298 1069 H C 2.257 177.502 175.328 -0.139 0.000 1.103 1069 H CA 1.832 57.875 56.048 -0.008 0.000 1.293 1069 H CB -0.003 29.842 29.762 0.138 0.000 1.372 1069 H HN 0.183 nan 8.280 nan 0.000 0.501 1070 R N 0.501 120.883 120.500 -0.196 0.000 2.066 1070 R HA -0.054 4.267 4.340 -0.032 0.000 0.232 1070 R C 2.348 178.492 176.300 -0.259 0.000 1.131 1070 R CA 1.834 57.782 56.100 -0.254 0.000 0.955 1070 R CB -0.363 29.880 30.300 -0.095 0.000 0.851 1070 R HN 0.554 nan 8.270 nan 0.000 0.432 1071 N N -0.245 118.325 118.700 -0.217 0.000 2.223 1071 N HA -0.168 4.553 4.740 -0.032 0.000 0.185 1071 N C 1.503 176.771 175.510 -0.402 0.000 1.016 1071 N CA 0.944 53.828 53.050 -0.276 0.000 0.863 1071 N CB -0.077 38.282 38.487 -0.212 0.000 0.983 1071 N HN 0.088 nan 8.380 nan 0.000 0.429 1072 L N 1.664 122.603 121.223 -0.474 0.000 2.209 1072 L HA -0.039 4.281 4.340 -0.032 0.000 0.207 1072 L C 2.291 178.988 176.870 -0.289 0.000 1.094 1072 L CA 0.993 55.579 54.840 -0.423 0.000 0.790 1072 L CB -0.183 41.442 42.059 -0.723 0.000 0.932 1072 L HN 0.058 nan 8.230 nan 0.000 0.447 1073 K N 1.008 121.202 120.400 -0.342 0.000 2.009 1073 K HA -0.196 4.105 4.320 -0.032 0.000 0.210 1073 K C 0.848 177.335 176.600 -0.188 0.000 1.049 1073 K CA 1.369 57.487 56.287 -0.282 0.000 0.929 1073 K CB -0.451 31.799 32.500 -0.417 0.000 0.714 1073 K HN 0.367 nan 8.250 nan 0.000 0.440 1077 S N 3.578 119.279 115.700 0.001 0.000 2.569 1077 S HA 0.194 4.644 4.470 -0.032 0.000 0.274 1077 S C -1.729 172.893 174.600 0.037 0.000 1.353 1077 S CA -0.511 57.698 58.200 0.015 0.000 1.023 1077 S CB 0.133 63.343 63.200 0.016 0.000 0.876 1077 S HN 0.445 nan 8.310 nan 0.000 0.540 1078 P HA 0.020 nan 4.420 nan 0.000 0.224 1078 P C 1.473 178.841 177.300 0.114 0.000 1.157 1078 P CA 0.146 63.290 63.100 0.073 0.000 0.799 1078 P CB 0.011 31.739 31.700 0.048 0.000 0.809 1079 L N 1.631 122.899 121.223 0.074 0.000 2.056 1079 L HA -0.128 4.192 4.340 -0.032 0.000 0.207 1079 L C 2.505 179.471 176.870 0.160 0.000 1.078 1079 L CA 2.048 56.939 54.840 0.084 0.000 0.749 1079 L CB -1.382 40.690 42.059 0.021 0.000 0.901 1079 L HN 0.020 nan 8.230 nan 0.000 0.433 1080 E N -1.248 119.019 120.200 0.111 0.000 2.150 1080 E HA -0.214 4.117 4.350 -0.032 0.000 0.193 1080 E C 1.896 178.596 176.600 0.167 0.000 0.985 1080 E CA 0.953 57.419 56.400 0.110 0.000 0.814 1080 E CB -0.338 29.387 29.700 0.042 0.000 0.752 1080 E HN 0.432 nan 8.360 nan 0.000 0.466 1081 K N 0.038 120.541 120.400 0.171 0.000 2.097 1081 K HA -0.166 4.135 4.320 -0.032 0.000 0.205 1081 K C 2.039 178.817 176.600 0.296 0.000 1.050 1081 K CA 1.416 57.836 56.287 0.221 0.000 0.938 1081 K CB -0.303 32.300 32.500 0.171 0.000 0.718 1081 K HN 0.259 nan 8.250 nan 0.000 0.442 1082 Y N 1.874 122.259 120.300 0.142 0.000 2.133 1082 Y HA -0.213 4.318 4.550 -0.031 0.000 0.287 1082 Y C 1.992 177.964 175.900 0.120 0.000 1.134 1082 Y CA 1.224 59.402 58.100 0.131 0.000 1.133 1082 Y CB -0.047 38.471 38.460 0.097 0.000 0.987 1082 Y HN -0.144 nan 8.280 nan 0.000 0.502 1083 I N 0.070 120.822 120.570 0.304 0.000 2.264 1083 I HA -0.309 3.842 4.170 -0.032 0.000 0.248 1083 I C 2.268 178.447 176.117 0.102 0.000 1.111 1083 I CA 1.594 62.988 61.300 0.156 0.000 1.382 1083 I CB -1.865 36.238 38.000 0.172 0.000 1.060 1083 I HN 0.397 nan 8.210 nan 0.000 0.418 1084 Y N 1.211 121.539 120.300 0.046 0.000 2.184 1084 Y HA 0.021 4.552 4.550 -0.032 0.000 0.290 1084 Y C 1.724 177.694 175.900 0.117 0.000 1.129 1084 Y CA 0.361 58.502 58.100 0.068 0.000 1.144 1084 Y CB -0.178 38.329 38.460 0.078 0.000 0.995 1084 Y HN -0.008 nan 8.280 nan 0.000 0.513 1088 I N 1.889 122.320 120.570 -0.232 0.000 2.546 1088 I HA -0.122 4.029 4.170 -0.032 0.000 0.255 1088 I C 2.808 178.794 176.117 -0.217 0.000 1.163 1088 I CA 1.931 63.123 61.300 -0.181 0.000 1.457 1088 I CB -0.153 37.744 38.000 -0.173 0.000 1.092 1088 I HN 0.469 nan 8.210 nan 0.000 0.434 1089 Q N 2.251 121.754 119.800 -0.496 0.000 2.123 1089 Q HA -0.213 4.108 4.340 -0.032 0.000 0.199 1089 Q C 1.760 177.521 176.000 -0.398 0.000 0.966 1089 Q CA 1.668 56.996 55.803 -0.792 0.000 0.845 1089 Q CB -0.424 27.329 28.738 -1.641 0.000 0.907 1089 Q HN 0.657 nan 8.270 nan 0.000 0.439 1090 E N -0.005 120.009 120.200 -0.310 0.000 2.418 1090 E HA -0.079 4.251 4.350 -0.032 0.000 0.197 1090 E C 1.716 178.242 176.600 -0.123 0.000 1.026 1090 E CA 0.530 56.813 56.400 -0.194 0.000 0.862 1090 E CB 0.114 29.706 29.700 -0.180 0.000 0.799 1090 E HN 0.354 nan 8.360 nan 0.000 0.518 1091 R N -0.502 119.931 120.500 -0.112 0.000 2.225 1091 R HA 0.194 4.515 4.340 -0.032 0.000 0.194 1091 R C 0.128 176.416 176.300 -0.019 0.000 0.949 1091 R CA 0.307 56.375 56.100 -0.053 0.000 1.088 1091 R CB 0.507 30.782 30.300 -0.042 0.000 1.106 1091 R HN 0.001 nan 8.270 nan 0.000 0.566 1092 N N 0.888 119.580 118.700 -0.014 0.000 2.621 1092 N HA -0.024 4.697 4.740 -0.032 0.000 0.271 1092 N C -0.209 175.365 175.510 0.107 0.000 1.181 1092 N CA -0.039 53.046 53.050 0.057 0.000 0.805 1092 N CB 1.537 40.068 38.487 0.073 0.000 1.351 1092 N HN 0.124 nan 8.380 nan 0.000 0.539 1093 E N 2.777 123.067 120.200 0.150 0.000 2.150 1093 E HA -0.090 4.241 4.350 -0.032 0.000 0.193 1093 E C 0.639 177.526 176.600 0.478 0.000 0.985 1093 E CA 0.928 57.489 56.400 0.268 0.000 0.814 1093 E CB 0.286 30.138 29.700 0.253 0.000 0.752 1093 E HN 0.332 nan 8.360 nan 0.000 0.466 1094 K N 0.514 121.160 120.400 0.412 0.000 2.025 1094 K HA -0.119 4.182 4.320 -0.032 0.000 0.207 1094 K C 2.302 178.988 176.600 0.143 0.000 1.049 1094 K CA 0.866 57.373 56.287 0.367 0.000 0.933 1094 K CB -0.469 32.202 32.500 0.285 0.000 0.714 1094 K HN 0.222 nan 8.250 nan 0.000 0.438 1095 L N 0.939 122.208 121.223 0.076 0.000 2.046 1095 L HA -0.131 4.190 4.340 -0.032 0.000 0.208 1095 L C 2.215 179.033 176.870 -0.086 0.000 1.077 1095 L CA 1.400 56.206 54.840 -0.057 0.000 0.747 1095 L CB -0.684 41.389 42.059 0.023 0.000 0.896 1095 L HN 0.086 nan 8.230 nan 0.000 0.432 1096 F N -0.657 119.184 119.950 -0.182 0.000 2.126 1096 F HA -0.294 4.213 4.527 -0.033 0.000 0.299 1096 F C 1.961 177.516 175.800 -0.407 0.000 1.096 1096 F CA 1.867 59.648 58.000 -0.365 0.000 1.255 1096 F CB -0.572 38.183 39.000 -0.408 0.000 0.997 1096 F HN 0.160 nan 8.300 nan 0.000 0.479 1097 Y N -0.346 119.843 120.300 -0.184 0.000 2.395 1097 Y HA -0.074 4.456 4.550 -0.034 0.000 0.293 1097 Y C 2.530 178.314 175.900 -0.193 0.000 1.123 1097 Y CA 1.037 58.999 58.100 -0.228 0.000 1.227 1097 Y CB -0.379 38.173 38.460 0.154 0.000 1.012 1097 Y HN 0.006 nan 8.280 nan 0.000 0.552 1098 R N 1.118 121.589 120.500 -0.049 0.000 2.066 1098 R HA -0.135 4.186 4.340 -0.032 0.000 0.232 1098 R C 1.821 178.007 176.300 -0.189 0.000 1.131 1098 R CA 1.715 57.748 56.100 -0.112 0.000 0.955 1098 R CB -1.122 29.076 30.300 -0.170 0.000 0.851 1098 R HN 0.371 nan 8.270 nan 0.000 0.432 1099 I N 0.485 120.869 120.570 -0.311 0.000 2.091 1099 I HA -0.284 3.866 4.170 -0.032 0.000 0.239 1099 I C 2.145 178.051 176.117 -0.352 0.000 1.061 1099 I CA 1.608 62.667 61.300 -0.402 0.000 1.317 1099 I CB -0.364 37.148 38.000 -0.814 0.000 1.031 1099 I HN 0.271 nan 8.210 nan 0.000 0.401 1100 L N -0.003 120.917 121.223 -0.504 0.000 2.353 1100 L HA -0.203 4.118 4.340 -0.032 0.000 0.220 1100 L C 2.070 178.825 176.870 -0.192 0.000 1.133 1100 L CA 1.691 56.293 54.840 -0.398 0.000 0.798 1100 L CB -0.475 41.166 42.059 -0.697 0.000 0.922 1100 L HN 0.274 nan 8.230 nan 0.000 0.445 1101 Q N -1.331 118.383 119.800 -0.143 0.000 2.396 1101 Q HA -0.046 4.274 4.340 -0.032 0.000 0.209 1101 Q C 1.169 177.134 176.000 -0.058 0.000 0.906 1101 Q CA 0.624 56.392 55.803 -0.058 0.000 0.927 1101 Q CB 0.288 29.021 28.738 -0.009 0.000 1.069 1101 Q HN 0.454 nan 8.270 nan 0.000 0.523 1102 D N 0.580 120.931 120.400 -0.082 0.000 2.277 1102 D HA -0.066 4.555 4.640 -0.032 0.000 0.208 1102 D C -0.131 176.133 176.300 -0.060 0.000 0.962 1102 D CA 0.976 54.933 54.000 -0.073 0.000 0.865 1102 D CB 0.333 41.081 40.800 -0.088 0.000 0.939 1102 D HN -0.001 nan 8.370 nan 0.000 0.510 1103 D N -0.568 119.807 120.400 -0.042 0.000 2.846 1103 D HA 0.091 4.712 4.640 -0.032 0.000 0.279 1103 D C 0.615 176.917 176.300 0.002 0.000 1.222 1103 D CA -0.261 53.734 54.000 -0.008 0.000 0.769 1103 D CB -0.208 40.613 40.800 0.035 0.000 1.299 1103 D HN -0.025 nan 8.370 nan 0.000 0.537 1104 I N 0.748 121.311 120.570 -0.013 0.000 2.286 1104 I HA -0.029 4.121 4.170 -0.032 0.000 0.245 1104 I C 2.049 178.167 176.117 0.003 0.000 1.104 1104 I CA 1.036 62.328 61.300 -0.012 0.000 1.397 1104 I CB 0.260 38.249 38.000 -0.018 0.000 1.072 1104 I HN 0.263 nan 8.210 nan 0.000 0.417 1105 E N 0.192 120.396 120.200 0.006 0.000 2.070 1105 E HA -0.274 4.057 4.350 -0.032 0.000 0.197 1105 E C 2.087 178.700 176.600 0.022 0.000 1.004 1105 E CA 2.136 58.541 56.400 0.009 0.000 0.805 1105 E CB -0.037 29.674 29.700 0.019 0.000 0.744 1105 E HN 0.655 nan 8.360 nan 0.000 0.451 1106 S N -0.424 115.300 115.700 0.039 0.000 2.458 1106 S HA 0.042 4.493 4.470 -0.032 0.000 0.223 1106 S C 0.906 175.550 174.600 0.073 0.000 1.019 1106 S CA -0.255 57.979 58.200 0.055 0.000 0.937 1106 S CB 0.135 63.377 63.200 0.070 0.000 0.788 1106 S HN 0.019 nan 8.310 nan 0.000 0.511 1110 I N 0.547 121.203 120.570 0.143 0.000 2.364 1110 I HA -0.032 4.118 4.170 -0.032 0.000 0.241 1110 I C 2.237 178.549 176.117 0.324 0.000 1.082 1110 I CA 0.777 62.199 61.300 0.203 0.000 1.401 1110 I CB -0.680 37.440 38.000 0.200 0.000 1.126 1110 I HN -0.258 nan 8.210 nan 0.000 0.429 1111 V N 0.040 120.125 119.914 0.283 0.000 2.626 1111 V HA -0.234 3.867 4.120 -0.032 0.000 0.252 1111 V C 1.462 177.815 176.094 0.432 0.000 1.067 1111 V CA 1.693 64.185 62.300 0.319 0.000 1.081 1111 V CB -0.730 31.224 31.823 0.219 0.000 0.686 1111 V HN 0.419 nan 8.190 nan 0.000 0.468 1112 Y N -0.794 119.621 120.300 0.191 0.000 2.741 1112 Y HA 0.217 4.748 4.550 -0.032 0.000 0.208 1112 Y C 1.998 177.962 175.900 0.107 0.000 2.219 1112 Y CA 0.366 58.560 58.100 0.156 0.000 1.141 1112 Y CB 0.173 38.726 38.460 0.155 0.000 1.443 1112 Y HN 0.017 nan 8.280 nan 0.000 0.425 1113 T N 2.045 116.249 114.554 -0.583 0.000 2.322 1113 T HA -0.284 4.047 4.350 -0.032 0.000 0.130 1113 T C -1.262 173.210 174.700 -0.379 0.000 1.780 1113 T CA 3.297 65.077 62.100 -0.533 0.000 0.850 1113 T CB -2.343 66.455 68.868 -0.116 0.000 0.819 1113 T HN 0.593 nan 8.240 nan 0.000 0.432 1114 P HA 0.170 nan 4.420 nan 0.000 0.215 1114 P C 1.570 178.804 177.300 -0.110 0.000 1.144 1114 P CA 1.490 64.508 63.100 -0.137 0.000 0.874 1114 P CB -0.309 31.335 31.700 -0.092 0.000 0.796 1115 T N 0.760 115.276 114.554 -0.062 0.000 2.788 1115 T HA -0.110 4.220 4.350 -0.032 0.000 0.268 1115 T C 1.886 176.504 174.700 -0.136 0.000 1.044 1115 T CA 1.225 63.289 62.100 -0.060 0.000 1.139 1115 T CB -1.187 67.695 68.868 0.023 0.000 0.867 1115 T HN -0.125 nan 8.240 nan 0.000 0.454 1116 V N 1.746 121.616 119.914 -0.073 0.000 2.453 1116 V HA -0.161 3.940 4.120 -0.032 0.000 0.252 1116 V C 2.489 178.507 176.094 -0.128 0.000 1.068 1116 V CA 2.321 64.578 62.300 -0.071 0.000 1.070 1116 V CB -1.067 30.841 31.823 0.141 0.000 0.664 1116 V HN 0.606 nan 8.190 nan 0.000 0.461 1117 G N -1.059 107.667 108.800 -0.125 0.000 2.443 1117 G HA2 -0.179 3.761 3.960 -0.032 0.000 0.219 1117 G HA3 -0.179 3.761 3.960 -0.032 0.000 0.219 1117 G C 1.554 176.398 174.900 -0.093 0.000 1.131 1117 G CA 0.893 45.933 45.100 -0.100 0.000 0.775 1117 G HN 0.517 nan 8.290 nan 0.000 0.547 1118 L N 0.306 121.455 121.223 -0.123 0.000 2.072 1118 L HA 0.043 4.364 4.340 -0.032 0.000 0.205 1118 L C 3.260 180.053 176.870 -0.128 0.000 1.079 1118 L CA 1.157 55.933 54.840 -0.106 0.000 0.752 1118 L CB -0.217 41.778 42.059 -0.108 0.000 0.906 1118 L HN 0.316 nan 8.230 nan 0.000 0.436 1119 A N -1.153 121.513 122.820 -0.257 0.000 1.930 1119 A HA -0.232 4.068 4.320 -0.032 0.000 0.217 1119 A C 2.258 179.873 177.584 0.052 0.000 1.175 1119 A CA 1.622 53.498 52.037 -0.270 0.000 0.627 1119 A CB -1.193 17.287 19.000 -0.866 0.000 0.815 1119 A HN 0.601 nan 8.150 nan 0.000 0.443 1120 C N -0.669 118.659 119.300 0.046 0.000 2.422 1120 C HA -0.013 4.427 4.460 -0.032 0.000 0.286 1120 C C 3.144 178.176 174.990 0.070 0.000 1.412 1120 C CA 1.225 60.278 59.018 0.058 0.000 1.786 1120 C CB -1.345 26.363 27.740 -0.053 0.000 1.835 1120 C HN 0.604 nan 8.230 nan 0.000 0.533 1121 S N 0.089 115.808 115.700 0.032 0.000 2.406 1121 S HA -0.076 4.375 4.470 -0.032 0.000 0.224 1121 S C 1.939 176.533 174.600 -0.010 0.000 1.030 1121 S CA 0.944 59.170 58.200 0.043 0.000 0.958 1121 S CB -0.121 63.093 63.200 0.023 0.000 0.811 1121 S HN 0.683 nan 8.310 nan 0.000 0.489 1122 Q N -0.324 119.455 119.800 -0.034 0.000 2.360 1122 Q HA 0.143 4.464 4.340 -0.032 0.000 0.202 1122 Q C -0.493 175.383 176.000 -0.207 0.000 0.915 1122 Q CA -0.061 55.712 55.803 -0.050 0.000 0.943 1122 Q CB -0.301 28.452 28.738 0.025 0.000 1.064 1122 Q HN 0.508 nan 8.270 nan 0.000 0.511 1123 Y N 1.624 121.626 120.300 -0.497 0.000 2.895 1123 Y HA 0.020 4.550 4.550 -0.033 0.000 0.334 1123 Y C 1.653 177.012 175.900 -0.902 0.000 1.261 1123 Y CA 2.269 59.983 58.100 -0.643 0.000 1.560 1123 Y CB 0.221 38.200 38.460 -0.803 0.000 1.253 1123 Y HN 0.453 nan 8.280 nan 0.000 0.582 1124 G N 2.169 110.782 108.800 -0.311 0.000 2.308 1124 G HA2 -0.322 3.619 3.960 -0.032 0.000 0.221 1124 G HA3 -0.322 3.619 3.960 -0.032 0.000 0.221 1124 G C 0.993 175.912 174.900 0.032 0.000 1.032 1124 G CA 0.548 45.565 45.100 -0.138 0.000 0.623 1124 G HN 0.768 nan 8.290 nan 0.000 0.506 1125 H N 0.253 119.300 119.070 -0.039 0.000 2.476 1125 H HA 0.315 4.851 4.556 -0.033 0.000 0.292 1125 H C 2.727 178.043 175.328 -0.020 0.000 1.019 1125 H CA 0.819 56.861 56.048 -0.010 0.000 1.330 1125 H CB 0.211 29.980 29.762 0.010 0.000 1.451 1125 H HN 0.545 nan 8.280 nan 0.000 0.535 1126 I N -1.791 118.826 120.570 0.078 0.000 3.228 1126 I HA 0.061 4.211 4.170 -0.032 0.000 0.279 1126 I C 0.507 176.607 176.117 -0.028 0.000 1.221 1126 I CA -0.266 61.043 61.300 0.015 0.000 1.458 1126 I CB -0.200 37.795 38.000 -0.008 0.000 1.105 1126 I HN -0.086 nan 8.210 nan 0.000 0.445 1127 F N 3.162 122.982 119.950 -0.217 0.000 2.594 1127 F HA -0.113 4.395 4.527 -0.032 0.000 0.384 1127 F C 1.213 176.935 175.800 -0.129 0.000 1.060 1127 F CA 0.915 58.775 58.000 -0.233 0.000 1.278 1127 F CB 0.384 39.268 39.000 -0.193 0.000 0.977 1127 F HN 0.025 nan 8.300 nan 0.000 0.576 1128 R N 1.992 121.917 120.500 -0.959 0.000 2.702 1128 R HA 0.285 4.606 4.340 -0.032 0.000 0.223 1128 R C -0.740 175.069 176.300 -0.818 0.000 0.953 1128 R CA -0.531 55.174 56.100 -0.659 0.000 1.068 1128 R CB 0.625 30.727 30.300 -0.330 0.000 1.600 1128 R HN 0.606 nan 8.270 nan 0.000 0.602 1129 R N 0.548 120.415 120.500 -1.055 0.000 2.647 1129 R HA 0.283 4.604 4.340 -0.032 0.000 0.260 1129 R C -2.928 173.155 176.300 -0.361 0.000 1.154 1129 R CA -1.511 54.235 56.100 -0.590 0.000 1.029 1129 R CB 1.165 31.291 30.300 -0.291 0.000 1.262 1129 R HN -0.174 nan 8.270 nan 0.000 0.437 1130 P HA 0.118 nan 4.420 nan 0.000 0.270 1130 P C -0.374 177.065 177.300 0.231 0.000 1.221 1130 P CA -0.174 63.118 63.100 0.319 0.000 0.788 1130 P CB 0.648 32.562 31.700 0.357 0.000 0.904 1131 K N -0.352 120.250 120.400 0.336 0.000 2.548 1131 K HA 0.255 4.556 4.320 -0.032 0.000 0.209 1131 K C 0.923 177.668 176.600 0.242 0.000 1.420 1131 K CA 0.421 56.835 56.287 0.212 0.000 0.985 1131 K CB 1.075 33.661 32.500 0.142 0.000 1.249 1131 K HN 0.618 nan 8.250 nan 0.000 0.557 1132 G N 0.967 109.876 108.800 0.183 0.000 3.247 1132 G HA2 0.488 4.428 3.960 -0.032 0.000 0.199 1132 G HA3 0.488 4.428 3.960 -0.032 0.000 0.199 1132 G C -1.577 173.353 174.900 0.050 0.000 1.172 1132 G CA -0.396 44.714 45.100 0.017 0.000 0.844 1132 G HN -0.026 nan 8.290 nan 0.000 0.619 1133 L N 0.488 121.520 121.223 -0.318 0.000 2.287 1133 L HA 0.691 5.012 4.340 -0.032 0.000 0.287 1133 L C -1.517 175.185 176.870 -0.279 0.000 1.022 1133 L CA -0.745 54.009 54.840 -0.143 0.000 0.814 1133 L CB 0.977 42.871 42.059 -0.276 0.000 1.217 1133 L HN 0.249 nan 8.230 nan 0.000 0.420 1134 F N 6.104 126.040 119.950 -0.023 0.000 2.385 1134 F HA 0.512 5.019 4.527 -0.034 0.000 0.360 1134 F C 0.033 175.793 175.800 -0.066 0.000 1.122 1134 F CA -0.339 57.624 58.000 -0.062 0.000 1.090 1134 F CB 0.950 39.931 39.000 -0.032 0.000 1.150 1134 F HN 0.220 nan 8.300 nan 0.000 0.472 1135 I N 2.964 123.539 120.570 0.008 0.000 2.382 1135 I HA 0.275 4.426 4.170 -0.032 0.000 0.286 1135 I C -0.046 176.061 176.117 -0.017 0.000 1.002 1135 I CA -0.424 60.867 61.300 -0.015 0.000 1.135 1135 I CB 1.578 39.513 38.000 -0.108 0.000 1.288 1135 I HN 0.569 nan 8.210 nan 0.000 0.448 1136 S N 5.373 121.086 115.700 0.021 0.000 2.654 1136 S HA 0.387 4.838 4.470 -0.032 0.000 0.283 1136 S C 0.858 175.474 174.600 0.027 0.000 1.180 1136 S CA -0.552 57.658 58.200 0.016 0.000 1.021 1136 S CB 1.428 64.636 63.200 0.014 0.000 1.018 1136 S HN 0.625 nan 8.310 nan 0.000 0.532 1137 I N 2.940 123.532 120.570 0.037 0.000 2.756 1137 I HA -0.043 4.107 4.170 -0.032 0.000 0.262 1137 I C 1.923 178.076 176.117 0.060 0.000 1.225 1137 I CA 1.156 62.492 61.300 0.059 0.000 1.472 1137 I CB -0.204 37.847 38.000 0.085 0.000 1.094 1137 I HN 0.738 nan 8.210 nan 0.000 0.454 1138 S N 0.172 115.902 115.700 0.049 0.000 2.481 1138 S HA -0.071 4.380 4.470 -0.032 0.000 0.231 1138 S C 1.264 175.905 174.600 0.067 0.000 0.996 1138 S CA 0.870 59.100 58.200 0.050 0.000 0.942 1138 S CB -0.247 62.971 63.200 0.030 0.000 0.768 1138 S HN 0.507 nan 8.310 nan 0.000 0.520 1139 D N 1.557 122.001 120.400 0.073 0.000 2.339 1139 D HA 0.025 4.646 4.640 -0.032 0.000 0.217 1139 D C 0.629 177.022 176.300 0.155 0.000 1.050 1139 D CA 0.004 54.069 54.000 0.108 0.000 0.856 1139 D CB 0.010 40.859 40.800 0.082 0.000 0.922 1139 D HN 0.546 nan 8.370 nan 0.000 0.518 1140 R N -0.087 120.480 120.500 0.113 0.000 2.583 1140 R HA 0.251 4.572 4.340 -0.032 0.000 0.274 1140 R C 1.107 177.448 176.300 0.069 0.000 0.998 1140 R CA 0.813 56.960 56.100 0.080 0.000 1.081 1140 R CB -0.010 30.327 30.300 0.062 0.000 0.940 1140 R HN -0.018 nan 8.270 nan 0.000 0.413 1141 G N 1.467 110.242 108.800 -0.042 0.000 2.217 1141 G HA2 -0.262 3.679 3.960 -0.032 0.000 0.246 1141 G HA3 -0.262 3.679 3.960 -0.032 0.000 0.246 1141 G C 0.295 174.880 174.900 -0.526 0.000 0.990 1141 G CA 0.255 45.202 45.100 -0.256 0.000 0.627 1141 G HN 0.824 nan 8.290 nan 0.000 0.522 1142 H N -0.585 118.498 119.070 0.022 0.000 2.665 1142 H HA 0.361 4.898 4.556 -0.032 0.000 0.248 1142 H C 1.792 177.137 175.328 0.028 0.000 1.175 1142 H CA 0.406 56.467 56.048 0.022 0.000 0.952 1142 H CB 0.496 30.271 29.762 0.023 0.000 1.883 1142 H HN 0.232 nan 8.280 nan 0.000 0.623 1143 V N 0.905 120.874 119.914 0.091 0.000 2.490 1143 V HA -0.245 3.855 4.120 -0.032 0.000 0.250 1143 V C 2.711 178.849 176.094 0.075 0.000 1.061 1143 V CA 1.955 64.307 62.300 0.086 0.000 1.064 1143 V CB -0.259 31.610 31.823 0.077 0.000 0.670 1143 V HN 0.229 nan 8.190 nan 0.000 0.461 1144 R N 1.583 122.110 120.500 0.044 0.000 2.115 1144 R HA -0.117 4.204 4.340 -0.032 0.000 0.226 1144 R C 2.477 178.805 176.300 0.047 0.000 1.100 1144 R CA 1.862 57.977 56.100 0.025 0.000 0.980 1144 R CB -0.786 29.509 30.300 -0.007 0.000 0.875 1144 R HN 0.624 nan 8.270 nan 0.000 0.445 1145 S N -0.212 115.532 115.700 0.072 0.000 2.382 1145 S HA -0.108 4.343 4.470 -0.032 0.000 0.228 1145 S C 2.058 176.711 174.600 0.089 0.000 1.027 1145 S CA 1.318 59.566 58.200 0.079 0.000 0.991 1145 S CB -0.447 62.816 63.200 0.105 0.000 0.823 1145 S HN 0.395 nan 8.310 nan 0.000 0.469 1146 I N 1.147 121.779 120.570 0.104 0.000 2.353 1146 I HA -0.085 4.066 4.170 -0.032 0.000 0.248 1146 I C 2.448 178.654 176.117 0.148 0.000 1.119 1146 I CA 0.818 62.190 61.300 0.120 0.000 1.417 1146 I CB -0.324 37.745 38.000 0.114 0.000 1.078 1146 I HN 0.219 nan 8.210 nan 0.000 0.421 1147 V N 0.529 120.520 119.914 0.128 0.000 2.343 1147 V HA -0.288 3.813 4.120 -0.032 0.000 0.247 1147 V C 1.885 178.080 176.094 0.170 0.000 1.051 1147 V CA 1.832 64.222 62.300 0.151 0.000 1.036 1147 V CB -0.615 31.260 31.823 0.087 0.000 0.654 1147 V HN 0.402 nan 8.190 nan 0.000 0.451 1148 D N 0.143 120.600 120.400 0.095 0.000 2.351 1148 D HA -0.106 4.514 4.640 -0.032 0.000 0.216 1148 D C 1.711 178.079 176.300 0.113 0.000 0.968 1148 D CA 0.638 54.680 54.000 0.070 0.000 0.899 1148 D CB -0.236 40.582 40.800 0.029 0.000 0.907 1148 D HN 0.380 nan 8.370 nan 0.000 0.514 1149 N N -0.273 118.519 118.700 0.154 0.000 2.467 1149 N HA -0.085 4.636 4.740 -0.032 0.000 0.184 1149 N C 0.131 175.758 175.510 0.195 0.000 1.106 1149 N CA 0.011 53.147 53.050 0.144 0.000 0.892 1149 N CB 0.044 38.614 38.487 0.139 0.000 0.969 1149 N HN 0.354 nan 8.380 nan 0.000 0.454 1150 W N 3.908 125.260 121.300 0.087 0.000 2.485 1150 W HA 0.111 4.756 4.660 -0.025 0.000 0.315 1150 W C -1.489 175.096 176.519 0.111 0.000 1.304 1150 W CA -1.577 55.833 57.345 0.108 0.000 1.345 1150 W CB 0.921 30.480 29.460 0.164 0.000 1.368 1150 W HN 0.073 nan 8.180 nan 0.000 0.497 1151 P HA -0.212 nan 4.420 nan 0.000 0.218 1151 P C -0.018 177.181 177.300 -0.169 0.000 1.146 1151 P CA 1.575 64.501 63.100 -0.291 0.000 0.820 1151 P CB 0.332 31.798 31.700 -0.389 0.000 0.778 1152 E N -0.252 119.817 120.200 -0.218 0.000 2.289 1152 E HA 0.143 4.473 4.350 -0.032 0.000 0.278 1152 E C 0.844 177.684 176.600 0.399 0.000 1.032 1152 E CA 0.117 56.591 56.400 0.122 0.000 0.854 1152 E CB -0.007 29.837 29.700 0.240 0.000 1.046 1152 E HN 0.109 nan 8.360 nan 0.000 0.409 1153 N N 1.056 119.948 118.700 0.319 0.000 2.387 1153 N HA -0.077 4.644 4.740 -0.032 0.000 0.176 1153 N C 0.159 175.966 175.510 0.496 0.000 1.022 1153 N CA 0.157 53.427 53.050 0.366 0.000 0.883 1153 N CB 0.198 38.783 38.487 0.164 0.000 1.019 1153 N HN 0.332 nan 8.380 nan 0.000 0.435 1154 H N 1.398 120.617 119.070 0.249 0.000 2.483 1154 H HA 0.304 4.840 4.556 -0.034 0.000 0.224 1154 H C -0.990 174.372 175.328 0.057 0.000 1.690 1154 H CA -0.513 55.639 56.048 0.173 0.000 1.217 1154 H CB -0.745 29.081 29.762 0.107 0.000 1.619 1154 H HN -0.164 nan 8.280 nan 0.000 0.528 1155 V N 3.570 123.507 119.914 0.038 0.000 2.488 1155 V HA 0.067 4.168 4.120 -0.032 0.000 0.277 1155 V C 1.026 177.002 176.094 -0.196 0.000 1.046 1155 V CA -0.086 62.014 62.300 -0.334 0.000 0.986 1155 V CB 1.384 32.564 31.823 -1.072 0.000 0.989 1155 V HN 0.424 nan 8.190 nan 0.000 0.475 1156 K N 3.246 123.561 120.400 -0.142 0.000 2.365 1156 K HA 0.408 4.708 4.320 -0.032 0.000 0.195 1156 K C 0.469 177.039 176.600 -0.050 0.000 1.079 1156 K CA 0.610 56.856 56.287 -0.069 0.000 0.979 1156 K CB 0.984 33.443 32.500 -0.068 0.000 0.929 1156 K HN 0.658 nan 8.250 nan 0.000 0.523 1157 A N 1.384 124.154 122.820 -0.083 0.000 2.375 1157 A HA 0.581 4.882 4.320 -0.032 0.000 0.291 1157 A C -0.843 176.630 177.584 -0.186 0.000 1.160 1157 A CA -0.550 51.465 52.037 -0.037 0.000 0.747 1157 A CB 1.136 20.218 19.000 0.136 0.000 1.170 1157 A HN -0.108 nan 8.150 nan 0.000 0.458 1158 V N 2.767 122.571 119.914 -0.184 0.000 2.483 1158 V HA 0.536 4.636 4.120 -0.032 0.000 0.295 1158 V C -0.297 175.643 176.094 -0.257 0.000 1.035 1158 V CA -0.499 61.649 62.300 -0.254 0.000 0.896 1158 V CB 1.727 33.424 31.823 -0.211 0.000 0.986 1158 V HN 0.621 nan 8.190 nan 0.000 0.447 1159 V N 5.430 125.147 119.914 -0.327 0.000 2.444 1159 V HA 0.540 4.641 4.120 -0.032 0.000 0.294 1159 V C -0.320 175.599 176.094 -0.292 0.000 1.022 1159 V CA -0.484 61.622 62.300 -0.323 0.000 0.850 1159 V CB 1.950 33.523 31.823 -0.415 0.000 0.992 1159 V HN 0.675 nan 8.190 nan 0.000 0.426 1160 V N 2.754 122.513 119.914 -0.259 0.000 2.769 1160 V HA 0.898 4.998 4.120 -0.032 0.000 0.312 1160 V C -0.064 175.959 176.094 -0.118 0.000 1.058 1160 V CA -0.490 61.639 62.300 -0.284 0.000 0.952 1160 V CB 1.856 33.422 31.823 -0.428 0.000 1.019 1160 V HN 0.861 nan 8.190 nan 0.000 0.445 1161 T N 0.372 114.787 114.554 -0.232 0.000 2.840 1161 T HA 0.421 4.752 4.350 -0.032 0.000 0.317 1161 T C -0.945 173.370 174.700 -0.640 0.000 1.401 1161 T CA -0.069 61.818 62.100 -0.355 0.000 1.028 1161 T CB 1.963 70.678 68.868 -0.254 0.000 1.317 1161 T HN 0.978 nan 8.240 nan 0.000 0.495 1162 D N 0.563 120.410 120.400 -0.922 0.000 2.431 1162 D HA 0.256 4.876 4.640 -0.032 0.000 0.213 1162 D C 1.462 177.539 176.300 -0.373 0.000 1.130 1162 D CA 0.611 54.234 54.000 -0.628 0.000 0.834 1162 D CB -0.213 40.194 40.800 -0.655 0.000 0.985 1162 D HN 1.123 nan 8.370 nan 0.000 0.504 1163 G N 1.544 110.144 108.800 -0.333 0.000 2.196 1163 G HA2 -0.468 3.472 3.960 -0.032 0.000 0.268 1163 G HA3 -0.468 3.472 3.960 -0.032 0.000 0.268 1163 G C 0.871 175.671 174.900 -0.166 0.000 0.975 1163 G CA 0.867 45.843 45.100 -0.207 0.000 0.648 1163 G HN 0.521 nan 8.290 nan 0.000 0.538 1164 E N -0.123 119.962 120.200 -0.191 0.000 2.153 1164 E HA -0.044 4.286 4.350 -0.032 0.000 0.194 1164 E C 1.532 178.083 176.600 -0.082 0.000 0.988 1164 E CA 0.858 57.179 56.400 -0.130 0.000 0.811 1164 E CB -0.001 29.625 29.700 -0.124 0.000 0.746 1164 E HN 0.504 nan 8.360 nan 0.000 0.466 1165 R N 0.906 121.366 120.500 -0.067 0.000 2.607 1165 R HA 0.234 4.555 4.340 -0.032 0.000 0.278 1165 R C -1.196 175.084 176.300 -0.035 0.000 1.637 1165 R CA -0.497 55.582 56.100 -0.035 0.000 1.325 1165 R CB 0.915 31.214 30.300 -0.002 0.000 1.211 1165 R HN 0.135 nan 8.270 nan 0.000 0.565 1166 I N 5.702 126.245 120.570 -0.045 0.000 2.281 1166 I HA 0.127 4.278 4.170 -0.032 0.000 0.293 1166 I C 1.439 177.532 176.117 -0.040 0.000 1.085 1166 I CA 0.017 61.290 61.300 -0.044 0.000 1.257 1166 I CB -0.633 37.337 38.000 -0.051 0.000 1.430 1166 I HN 0.624 nan 8.210 nan 0.000 0.489 1167 L N 4.931 126.131 121.223 -0.037 0.000 5.704 1167 L HA -0.323 3.998 4.340 -0.032 0.000 0.053 1167 L C 1.519 178.369 176.870 -0.033 0.000 2.571 1167 L CA 1.424 56.239 54.840 -0.042 0.000 1.641 1167 L CB -1.757 40.262 42.059 -0.066 0.000 2.792 1167 L HN 0.635 nan 8.230 nan 0.000 0.961 1168 G N -1.211 107.567 108.800 -0.037 0.000 3.126 1168 G HA2 0.417 4.358 3.960 -0.032 0.000 0.224 1168 G HA3 0.417 4.358 3.960 -0.032 0.000 0.224 1168 G C 0.923 175.806 174.900 -0.028 0.000 1.142 1168 G CA 0.246 45.328 45.100 -0.030 0.000 0.759 1168 G HN 0.237 nan 8.290 nan 0.000 0.550 1169 L N 0.521 121.725 121.223 -0.031 0.000 2.395 1169 L HA 0.318 4.639 4.340 -0.032 0.000 0.218 1169 L C 1.874 178.727 176.870 -0.028 0.000 1.130 1169 L CA 1.052 55.876 54.840 -0.027 0.000 0.826 1169 L CB -0.857 41.187 42.059 -0.025 0.000 0.941 1169 L HN 0.379 nan 8.230 nan 0.000 0.451 1170 G N -0.597 108.184 108.800 -0.032 0.000 2.542 1170 G HA2 -0.295 3.646 3.960 -0.032 0.000 0.235 1170 G HA3 -0.295 3.646 3.960 -0.032 0.000 0.235 1170 G C -0.488 174.382 174.900 -0.049 0.000 1.286 1170 G CA -0.107 44.971 45.100 -0.037 0.000 0.904 1170 G HN 0.207 nan 8.290 nan 0.000 0.577 1171 D N 1.140 121.503 120.400 -0.062 0.000 2.344 1171 D HA 0.409 5.030 4.640 -0.032 0.000 0.253 1171 D C 1.418 177.659 176.300 -0.098 0.000 1.255 1171 D CA -0.105 53.844 54.000 -0.085 0.000 0.894 1171 D CB 0.106 40.849 40.800 -0.094 0.000 1.067 1171 D HN 0.438 nan 8.370 nan 0.000 0.492 1172 L N 3.311 124.480 121.223 -0.089 0.000 2.769 1172 L HA 0.310 4.631 4.340 -0.032 0.000 0.240 1172 L C 1.710 178.500 176.870 -0.135 0.000 1.163 1172 L CA -0.138 54.656 54.840 -0.077 0.000 0.962 1172 L CB -0.275 41.796 42.059 0.019 0.000 1.258 1172 L HN 0.648 nan 8.230 nan 0.000 0.513 1173 G N 1.586 110.302 108.800 -0.141 0.000 2.611 1173 G HA2 -0.417 3.523 3.960 -0.032 0.000 0.301 1173 G HA3 -0.417 3.523 3.960 -0.032 0.000 0.301 1173 G C 0.859 175.715 174.900 -0.074 0.000 1.233 1173 G CA 0.829 45.868 45.100 -0.102 0.000 0.993 1173 G HN 0.290 nan 8.290 nan 0.000 0.553 1174 V N -1.160 118.733 119.914 -0.034 0.000 3.305 1174 V HA 0.146 4.247 4.120 -0.032 0.000 0.269 1174 V C 2.059 178.215 176.094 0.104 0.000 1.157 1174 V CA 2.317 64.621 62.300 0.008 0.000 1.157 1174 V CB -0.930 30.894 31.823 0.002 0.000 0.772 1174 V HN 0.711 nan 8.190 nan 0.000 0.498 1175 Y N 1.528 121.806 120.300 -0.037 0.000 2.561 1175 Y HA 0.263 4.794 4.550 -0.032 0.000 0.291 1175 Y C 2.124 177.757 175.900 -0.445 0.000 1.141 1175 Y CA -0.347 57.611 58.100 -0.237 0.000 1.303 1175 Y CB -0.112 38.329 38.460 -0.032 0.000 1.015 1175 Y HN 0.492 nan 8.280 nan 0.000 0.547 1179 I N 2.038 122.594 120.570 -0.024 0.000 2.110 1179 I HA 0.020 4.170 4.170 -0.032 0.000 0.236 1179 I C -0.196 175.926 176.117 0.009 0.000 1.068 1179 I CA 1.125 62.466 61.300 0.070 0.000 1.333 1179 I CB -1.789 36.224 38.000 0.022 0.000 1.054 1179 I HN -0.007 nan 8.210 nan 0.000 0.402 1180 P HA -0.103 nan 4.420 nan 0.000 0.216 1180 P C 2.221 179.400 177.300 -0.202 0.000 1.150 1180 P CA 1.138 64.111 63.100 -0.213 0.000 0.843 1180 P CB -0.018 31.525 31.700 -0.262 0.000 0.787 1181 V N 0.121 119.968 119.914 -0.111 0.000 2.255 1181 V HA -0.218 3.882 4.120 -0.032 0.000 0.247 1181 V C 2.637 178.719 176.094 -0.021 0.000 1.051 1181 V CA 2.634 64.901 62.300 -0.055 0.000 1.018 1181 V CB -1.947 29.899 31.823 0.040 0.000 0.641 1181 V HN 0.181 nan 8.190 nan 0.000 0.445 1182 G N -0.989 107.854 108.800 0.072 0.000 2.408 1182 G HA2 -0.270 3.671 3.960 -0.032 0.000 0.217 1182 G HA3 -0.270 3.671 3.960 -0.032 0.000 0.217 1182 G C 1.667 176.468 174.900 -0.164 0.000 1.150 1182 G CA 0.960 46.139 45.100 0.133 0.000 0.776 1182 G HN 0.470 nan 8.290 nan 0.000 0.542 1183 K N -0.592 119.554 120.400 -0.423 0.000 2.026 1183 K HA -0.002 4.299 4.320 -0.032 0.000 0.208 1183 K C 2.353 178.764 176.600 -0.315 0.000 1.048 1183 K CA 0.710 56.589 56.287 -0.681 0.000 0.929 1183 K CB -0.199 31.901 32.500 -0.667 0.000 0.713 1183 K HN 0.142 nan 8.250 nan 0.000 0.439 1184 L N 0.925 121.935 121.223 -0.356 0.000 2.191 1184 L HA -0.201 4.120 4.340 -0.032 0.000 0.212 1184 L C 2.281 179.143 176.870 -0.013 0.000 1.103 1184 L CA 1.286 55.918 54.840 -0.346 0.000 0.769 1184 L CB -1.126 40.724 42.059 -0.349 0.000 0.908 1184 L HN 0.366 nan 8.230 nan 0.000 0.438 1185 C N -0.856 118.484 119.300 0.066 0.000 2.422 1185 C HA -0.150 4.291 4.460 -0.032 0.000 0.279 1185 C C 2.741 177.915 174.990 0.308 0.000 1.305 1185 C CA 0.468 59.651 59.018 0.275 0.000 1.757 1185 C CB -0.689 27.199 27.740 0.247 0.000 1.962 1185 C HN 0.445 nan 8.230 nan 0.000 0.499 1186 L N -1.757 119.599 121.223 0.222 0.000 2.209 1186 L HA -0.027 4.294 4.340 -0.032 0.000 0.207 1186 L C 2.379 179.433 176.870 0.306 0.000 1.094 1186 L CA 0.932 55.922 54.840 0.250 0.000 0.790 1186 L CB -0.748 41.468 42.059 0.261 0.000 0.932 1186 L HN 0.243 nan 8.230 nan 0.000 0.447 1187 Y N 1.159 121.552 120.300 0.155 0.000 2.114 1187 Y HA -0.285 4.245 4.550 -0.033 0.000 0.282 1187 Y C 2.867 178.765 175.900 -0.002 0.000 1.165 1187 Y CA 1.875 60.045 58.100 0.117 0.000 1.148 1187 Y CB -0.957 37.535 38.460 0.054 0.000 0.972 1187 Y HN 0.133 nan 8.280 nan 0.000 0.504 1188 T N -0.559 114.060 114.554 0.109 0.000 2.770 1188 T HA -0.088 4.243 4.350 -0.032 0.000 0.258 1188 T C 2.212 176.852 174.700 -0.100 0.000 1.039 1188 T CA 1.242 63.239 62.100 -0.173 0.000 1.143 1188 T CB -0.692 67.819 68.868 -0.595 0.000 0.866 1188 T HN 0.367 nan 8.240 nan 0.000 0.428 1189 A N 0.637 123.509 122.820 0.086 0.000 1.902 1189 A HA -0.116 4.185 4.320 -0.032 0.000 0.217 1189 A C 2.594 180.219 177.584 0.069 0.000 1.181 1189 A CA 1.724 53.852 52.037 0.152 0.000 0.623 1189 A CB -1.124 17.991 19.000 0.192 0.000 0.818 1189 A HN 0.679 nan 8.150 nan 0.000 0.443 1190 C N -1.874 117.449 119.300 0.039 0.000 2.541 1190 C HA 0.459 4.899 4.460 -0.032 0.000 0.284 1190 C C 3.073 178.054 174.990 -0.016 0.000 1.341 1190 C CA 0.305 59.318 59.018 -0.009 0.000 1.732 1190 C CB -0.858 26.839 27.740 -0.071 0.000 2.126 1190 C HN 0.669 nan 8.230 nan 0.000 0.505 1191 A N -0.080 122.727 122.820 -0.021 0.000 2.081 1191 A HA 0.454 4.754 4.320 -0.032 0.000 0.214 1191 A C 1.854 179.436 177.584 -0.003 0.000 1.158 1191 A CA 1.329 53.348 52.037 -0.029 0.000 0.724 1191 A CB -0.775 18.186 19.000 -0.065 0.000 0.826 1191 A HN 1.368 nan 8.150 nan 0.000 0.463 1192 G N -0.677 108.127 108.800 0.008 0.000 2.132 1192 G HA2 -0.192 3.749 3.960 -0.032 0.000 0.228 1192 G HA3 -0.192 3.749 3.960 -0.032 0.000 0.228 1192 G C 0.056 174.962 174.900 0.011 0.000 1.000 1192 G CA 0.131 45.261 45.100 0.051 0.000 0.693 1192 G HN 0.441 nan 8.290 nan 0.000 0.515 1193 I N 0.805 121.346 120.570 -0.050 0.000 2.496 1193 I HA 0.182 4.333 4.170 -0.032 0.000 0.285 1193 I C 1.362 177.347 176.117 -0.221 0.000 1.080 1193 I CA -0.515 60.746 61.300 -0.064 0.000 1.404 1193 I CB 0.536 38.555 38.000 0.031 0.000 1.403 1193 I HN 0.080 nan 8.210 nan 0.000 0.539 1194 R N 7.339 127.711 120.500 -0.213 0.000 2.502 1194 R HA 0.018 4.339 4.340 -0.032 0.000 0.292 1194 R C -1.551 174.501 176.300 -0.412 0.000 0.998 1194 R CA -1.021 54.849 56.100 -0.383 0.000 1.056 1194 R CB 0.105 30.303 30.300 -0.170 0.000 0.939 1194 R HN 0.402 nan 8.270 nan 0.000 0.411 1195 P HA -0.207 nan 4.420 nan 0.000 0.215 1195 P C 0.460 177.654 177.300 -0.176 0.000 1.153 1195 P CA 1.304 64.160 63.100 -0.407 0.000 0.853 1195 P CB 0.142 31.548 31.700 -0.489 0.000 0.788 1196 D N -0.532 119.785 120.400 -0.140 0.000 2.264 1196 D HA -0.160 4.460 4.640 -0.032 0.000 0.208 1196 D C 1.366 177.668 176.300 0.004 0.000 0.966 1196 D CA 0.960 54.948 54.000 -0.020 0.000 0.864 1196 D CB -0.933 39.873 40.800 0.011 0.000 0.933 1196 D HN 0.218 nan 8.370 nan 0.000 0.499 1197 R N -0.381 120.076 120.500 -0.071 0.000 2.334 1197 R HA 0.220 4.541 4.340 -0.032 0.000 0.220 1197 R C -0.094 176.135 176.300 -0.119 0.000 0.917 1197 R CA -0.148 55.898 56.100 -0.089 0.000 1.073 1197 R CB -0.019 30.196 30.300 -0.142 0.000 1.056 1197 R HN 0.151 nan 8.270 nan 0.000 0.506 1198 C N 1.567 120.804 119.300 -0.106 0.000 2.355 1198 C HA 0.544 4.984 4.460 -0.032 0.000 0.332 1198 C C -0.281 174.603 174.990 -0.177 0.000 1.255 1198 C CA -1.000 57.919 59.018 -0.165 0.000 1.792 1198 C CB 0.984 28.617 27.740 -0.178 0.000 2.300 1198 C HN 0.294 nan 8.230 nan 0.000 0.515 1199 L N 6.381 127.401 121.223 -0.337 0.000 2.406 1199 L HA 0.630 4.951 4.340 -0.032 0.000 0.270 1199 L C -2.777 173.787 176.870 -0.509 0.000 0.982 1199 L CA -1.849 52.666 54.840 -0.543 0.000 0.843 1199 L CB 1.589 43.156 42.059 -0.820 0.000 1.225 1199 L HN 0.392 nan 8.230 nan 0.000 0.412 1200 P HA 0.452 nan 4.420 nan 0.000 0.290 1200 P C -1.281 175.734 177.300 -0.475 0.000 1.276 1200 P CA -0.326 62.533 63.100 -0.401 0.000 0.808 1200 P CB 1.776 33.304 31.700 -0.287 0.000 0.966 1201 V N 3.040 122.688 119.914 -0.442 0.000 2.789 1201 V HA 0.484 4.585 4.120 -0.032 0.000 0.311 1201 V C -0.521 175.273 176.094 -0.500 0.000 1.073 1201 V CA -0.513 61.494 62.300 -0.487 0.000 0.921 1201 V CB 2.536 34.091 31.823 -0.447 0.000 1.009 1201 V HN 0.740 nan 8.190 nan 0.000 0.426 1202 C N 6.173 125.144 119.300 -0.548 0.000 2.397 1202 C HA 0.647 5.088 4.460 -0.032 0.000 0.325 1202 C C -0.487 174.279 174.990 -0.375 0.000 1.201 1202 C CA -0.468 58.271 59.018 -0.465 0.000 1.377 1202 C CB -0.266 27.189 27.740 -0.475 0.000 2.038 1202 C HN 0.828 nan 8.230 nan 0.000 0.457 1203 I N 5.297 125.645 120.570 -0.369 0.000 2.297 1203 I HA 0.226 4.377 4.170 -0.032 0.000 0.291 1203 I C -0.265 175.760 176.117 -0.154 0.000 1.033 1203 I CA 0.342 61.474 61.300 -0.279 0.000 1.253 1203 I CB 0.842 38.642 38.000 -0.334 0.000 1.396 1203 I HN 0.642 nan 8.210 nan 0.000 0.476 1204 D N 6.871 127.226 120.400 -0.075 0.000 2.428 1204 D HA 0.177 4.797 4.640 -0.032 0.000 0.221 1204 D C 0.628 176.928 176.300 0.001 0.000 1.123 1204 D CA -0.271 53.708 54.000 -0.035 0.000 0.869 1204 D CB 1.291 42.081 40.800 -0.017 0.000 1.032 1204 D HN 0.345 nan 8.370 nan 0.000 0.506 1205 V N 1.566 121.494 119.914 0.024 0.000 3.483 1205 V HA 0.659 4.760 4.120 -0.032 0.000 0.301 1205 V C 0.850 176.961 176.094 0.029 0.000 1.389 1205 V CA 0.419 62.763 62.300 0.073 0.000 1.101 1205 V CB -0.339 31.604 31.823 0.201 0.000 0.971 1205 V HN 0.641 nan 8.190 nan 0.000 0.434 1206 G N -0.530 108.270 108.800 -0.000 0.000 2.408 1206 G HA2 0.262 4.203 3.960 -0.032 0.000 0.682 1206 G HA3 0.262 4.203 3.960 -0.032 0.000 0.682 1206 G C -0.630 174.243 174.900 -0.043 0.000 1.303 1206 G CA -0.136 44.958 45.100 -0.009 0.000 0.966 1206 G HN 0.765 nan 8.290 nan 0.000 0.560 1207 T N -1.078 113.436 114.554 -0.067 0.000 2.912 1207 T HA 0.592 4.923 4.350 -0.032 0.000 0.299 1207 T C -0.152 174.476 174.700 -0.120 0.000 1.052 1207 T CA -0.027 61.998 62.100 -0.125 0.000 0.996 1207 T CB 1.816 70.544 68.868 -0.234 0.000 1.070 1207 T HN 0.386 nan 8.240 nan 0.000 0.465 1208 D N 1.879 122.208 120.400 -0.117 0.000 2.360 1208 D HA 0.128 4.749 4.640 -0.032 0.000 0.210 1208 D C 0.448 176.685 176.300 -0.104 0.000 1.047 1208 D CA 0.167 54.110 54.000 -0.095 0.000 0.854 1208 D CB 0.204 40.956 40.800 -0.081 0.000 0.936 1208 D HN 0.409 nan 8.370 nan 0.000 0.514 1209 N N 1.431 120.045 118.700 -0.142 0.000 2.402 1209 N HA -0.010 4.710 4.740 -0.032 0.000 0.259 1209 N C 1.016 176.431 175.510 -0.159 0.000 1.167 1209 N CA -0.043 52.919 53.050 -0.146 0.000 0.949 1209 N CB 0.329 38.709 38.487 -0.178 0.000 1.212 1209 N HN 0.010 nan 8.380 nan 0.000 0.493 1210 I N 3.836 124.343 120.570 -0.105 0.000 2.264 1210 I HA -0.294 3.856 4.170 -0.032 0.000 0.248 1210 I C 2.049 178.111 176.117 -0.091 0.000 1.111 1210 I CA 1.311 62.560 61.300 -0.085 0.000 1.382 1210 I CB -0.087 37.881 38.000 -0.053 0.000 1.060 1210 I HN 0.692 nan 8.210 nan 0.000 0.418 1211 A N 0.212 122.978 122.820 -0.090 0.000 1.865 1211 A HA -0.220 4.080 4.320 -0.032 0.000 0.217 1211 A C 2.289 179.805 177.584 -0.114 0.000 1.191 1211 A CA 1.907 53.902 52.037 -0.071 0.000 0.623 1211 A CB -1.016 17.955 19.000 -0.049 0.000 0.826 1211 A HN 0.443 nan 8.150 nan 0.000 0.444 1212 L N -0.712 120.368 121.223 -0.238 0.000 2.017 1212 L HA -0.199 4.122 4.340 -0.032 0.000 0.208 1212 L C 2.642 179.245 176.870 -0.445 0.000 1.073 1212 L CA 1.261 55.811 54.840 -0.483 0.000 0.745 1212 L CB -0.683 40.835 42.059 -0.902 0.000 0.894 1212 L HN 0.391 nan 8.230 nan 0.000 0.432 1213 L N -0.242 120.791 121.223 -0.316 0.000 2.081 1213 L HA -0.262 4.058 4.340 -0.032 0.000 0.212 1213 L C 2.566 179.522 176.870 0.143 0.000 1.080 1213 L CA 1.457 56.275 54.840 -0.037 0.000 0.754 1213 L CB -0.390 41.655 42.059 -0.023 0.000 0.893 1213 L HN 0.245 nan 8.230 nan 0.000 0.433 1214 K N -0.351 120.067 120.400 0.029 0.000 2.155 1214 K HA -0.089 4.212 4.320 -0.032 0.000 0.203 1214 K C 0.574 177.200 176.600 0.044 0.000 1.052 1214 K CA 0.230 56.530 56.287 0.022 0.000 0.948 1214 K CB -0.083 32.410 32.500 -0.012 0.000 0.728 1214 K HN 0.075 nan 8.250 nan 0.000 0.448 1215 D N 0.439 120.889 120.400 0.084 0.000 2.434 1215 D HA -0.018 4.603 4.640 -0.032 0.000 0.252 1215 D C -1.967 174.443 176.300 0.182 0.000 1.185 1215 D CA -1.787 52.277 54.000 0.106 0.000 0.886 1215 D CB 1.232 42.127 40.800 0.159 0.000 1.148 1215 D HN -0.030 nan 8.370 nan 0.000 0.483 1216 P HA 0.029 nan 4.420 nan 0.000 0.241 1216 P C 0.274 177.601 177.300 0.045 0.000 1.191 1216 P CA 0.406 63.426 63.100 -0.134 0.000 0.771 1216 P CB 0.070 31.523 31.700 -0.410 0.000 0.929 1217 F N -2.279 117.826 119.950 0.259 0.000 2.647 1217 F HA 0.266 4.774 4.527 -0.032 0.000 0.300 1217 F C 1.045 176.994 175.800 0.248 0.000 1.106 1217 F CA -1.939 56.193 58.000 0.219 0.000 1.313 1217 F CB -1.242 37.896 39.000 0.231 0.000 1.007 1217 F HN -0.076 nan 8.300 nan 0.000 0.536 1221 L N 0.722 121.766 121.223 -0.298 0.000 2.477 1221 L HA 0.292 4.613 4.340 -0.032 0.000 0.272 1221 L C -0.238 176.601 176.870 -0.052 0.000 1.157 1221 L CA 0.092 54.863 54.840 -0.115 0.000 0.889 1221 L CB -0.093 41.947 42.059 -0.032 0.000 1.158 1221 L HN 0.453 nan 8.230 nan 0.000 0.473 1222 Y N 4.720 125.064 120.300 0.074 0.000 2.570 1222 Y HA 0.283 4.813 4.550 -0.032 0.000 0.336 1222 Y C 0.564 176.488 175.900 0.039 0.000 1.284 1222 Y CA -0.024 58.130 58.100 0.089 0.000 1.761 1222 Y CB -0.186 38.310 38.460 0.060 0.000 1.724 1222 Y HN 0.614 nan 8.280 nan 0.000 0.455 1223 Q N 0.262 120.133 119.800 0.118 0.000 2.578 1223 Q HA 0.385 4.706 4.340 -0.032 0.000 0.284 1223 Q C -1.733 174.279 176.000 0.019 0.000 0.960 1223 Q CA -1.293 54.549 55.803 0.066 0.000 0.809 1223 Q CB 1.334 30.106 28.738 0.057 0.000 1.462 1223 Q HN 0.143 nan 8.270 nan 0.000 0.392 1224 K N 1.635 122.038 120.400 0.005 0.000 2.298 1224 K HA 0.247 4.548 4.320 -0.032 0.000 0.280 1224 K C -0.314 176.269 176.600 -0.028 0.000 1.032 1224 K CA -0.480 55.794 56.287 -0.022 0.000 0.958 1224 K CB 0.727 33.215 32.500 -0.021 0.000 0.978 1224 K HN 0.532 nan 8.250 nan 0.000 0.472 1225 R N 2.410 122.877 120.500 -0.054 0.000 2.730 1225 R HA -0.161 4.160 4.340 -0.032 0.000 0.327 1225 R C 0.163 176.422 176.300 -0.068 0.000 0.825 1225 R CA 0.462 56.517 56.100 -0.075 0.000 1.130 1225 R CB -0.081 30.149 30.300 -0.117 0.000 0.883 1225 R HN 0.497 nan 8.270 nan 0.000 0.407 1226 D N 3.256 123.637 120.400 -0.031 0.000 2.401 1226 D HA -0.030 4.590 4.640 -0.032 0.000 0.254 1226 D C 0.249 176.520 176.300 -0.049 0.000 1.192 1226 D CA 0.405 54.412 54.000 0.011 0.000 0.885 1226 D CB 0.709 41.564 40.800 0.093 0.000 1.147 1226 D HN 0.471 nan 8.370 nan 0.000 0.478 1227 R N 1.600 122.082 120.500 -0.029 0.000 2.437 1227 R HA 0.099 4.419 4.340 -0.032 0.000 0.257 1227 R C 0.745 177.094 176.300 0.081 0.000 0.927 1227 R CA -0.188 55.883 56.100 -0.048 0.000 1.078 1227 R CB 0.594 30.859 30.300 -0.059 0.000 1.161 1227 R HN 0.516 nan 8.270 nan 0.000 0.529 1228 T N -1.645 112.976 114.554 0.112 0.000 2.652 1228 T HA -0.077 4.254 4.350 -0.032 0.000 0.319 1228 T C 1.216 176.031 174.700 0.192 0.000 1.029 1228 T CA -0.367 61.809 62.100 0.128 0.000 0.990 1228 T CB 0.650 69.581 68.868 0.104 0.000 1.098 1228 T HN -0.046 nan 8.240 nan 0.000 0.520 1229 Q N -0.071 119.822 119.800 0.154 0.000 2.226 1229 Q HA -0.129 4.192 4.340 -0.032 0.000 0.204 1229 Q C 2.361 178.461 176.000 0.166 0.000 0.975 1229 Q CA 1.636 57.535 55.803 0.161 0.000 0.866 1229 Q CB -0.624 28.182 28.738 0.114 0.000 0.915 1229 Q HN 0.777 nan 8.270 nan 0.000 0.440 1230 Q N -1.332 118.559 119.800 0.151 0.000 2.197 1230 Q HA -0.223 4.098 4.340 -0.032 0.000 0.207 1230 Q C 1.519 177.616 176.000 0.162 0.000 0.984 1230 Q CA 1.781 57.663 55.803 0.133 0.000 0.869 1230 Q CB -0.336 28.475 28.738 0.121 0.000 0.906 1230 Q HN 0.586 nan 8.270 nan 0.000 0.426 1231 Y N 1.219 121.590 120.300 0.117 0.000 2.145 1231 Y HA -0.254 4.277 4.550 -0.032 0.000 0.286 1231 Y C 1.384 177.409 175.900 0.207 0.000 1.145 1231 Y CA 2.050 60.241 58.100 0.152 0.000 1.148 1231 Y CB -0.195 38.365 38.460 0.167 0.000 0.981 1231 Y HN 0.110 nan 8.280 nan 0.000 0.507 1232 D N -0.022 120.465 120.400 0.145 0.000 2.117 1232 D HA -0.162 4.458 4.640 -0.032 0.000 0.197 1232 D C 1.721 178.046 176.300 0.042 0.000 0.987 1232 D CA 1.735 55.815 54.000 0.134 0.000 0.829 1232 D CB -0.273 40.682 40.800 0.259 0.000 0.961 1232 D HN 0.382 nan 8.370 nan 0.000 0.460 1233 D N -0.178 120.259 120.400 0.061 0.000 2.144 1233 D HA -0.112 4.509 4.640 -0.032 0.000 0.199 1233 D C 2.018 178.324 176.300 0.010 0.000 0.984 1233 D CA 0.309 54.337 54.000 0.046 0.000 0.834 1233 D CB -0.274 40.559 40.800 0.055 0.000 0.955 1233 D HN 0.154 nan 8.370 nan 0.000 0.465 1234 L N 0.660 121.870 121.223 -0.021 0.000 2.093 1234 L HA -0.126 4.195 4.340 -0.032 0.000 0.208 1234 L C 1.883 178.721 176.870 -0.053 0.000 1.085 1234 L CA 1.222 56.042 54.840 -0.033 0.000 0.755 1234 L CB -0.212 41.822 42.059 -0.041 0.000 0.904 1234 L HN -0.072 nan 8.230 nan 0.000 0.435 1235 I N -0.544 119.940 120.570 -0.145 0.000 2.315 1235 I HA -0.213 3.938 4.170 -0.032 0.000 0.248 1235 I C 2.169 178.242 176.117 -0.072 0.000 1.117 1235 I CA 1.028 62.245 61.300 -0.139 0.000 1.404 1235 I CB -1.632 36.118 38.000 -0.416 0.000 1.071 1235 I HN 0.289 nan 8.210 nan 0.000 0.419 1236 D N 0.905 121.291 120.400 -0.024 0.000 2.084 1236 D HA -0.223 4.397 4.640 -0.032 0.000 0.194 1236 D C 2.107 178.374 176.300 -0.055 0.000 0.990 1236 D CA 1.373 55.386 54.000 0.022 0.000 0.826 1236 D CB -0.107 40.752 40.800 0.099 0.000 0.971 1236 D HN 0.423 nan 8.370 nan 0.000 0.453 1237 E N -0.468 119.721 120.200 -0.018 0.000 2.049 1237 E HA -0.189 4.141 4.350 -0.032 0.000 0.198 1237 E C 1.033 177.600 176.600 -0.054 0.000 1.007 1237 E CA 0.393 56.779 56.400 -0.024 0.000 0.809 1237 E CB -0.181 29.520 29.700 0.002 0.000 0.749 1237 E HN 0.162 nan 8.360 nan 0.000 0.450 1241 A N 2.410 125.114 122.820 -0.195 0.000 1.917 1241 A HA -0.141 4.160 4.320 -0.032 0.000 0.219 1241 A C 1.923 179.405 177.584 -0.170 0.000 1.182 1241 A CA 1.592 53.544 52.037 -0.142 0.000 0.633 1241 A CB -0.500 18.452 19.000 -0.080 0.000 0.819 1241 A HN 0.310 nan 8.150 nan 0.000 0.448 1242 I N 0.609 121.005 120.570 -0.290 0.000 2.226 1242 I HA -0.199 3.952 4.170 -0.032 0.000 0.245 1242 I C 2.764 178.821 176.117 -0.100 0.000 1.100 1242 I CA 2.250 63.429 61.300 -0.203 0.000 1.374 1242 I CB -1.728 35.988 38.000 -0.473 0.000 1.057 1242 I HN 0.555 nan 8.210 nan 0.000 0.413 1243 T N -1.681 112.768 114.554 -0.175 0.000 2.857 1243 T HA -0.124 4.207 4.350 -0.032 0.000 0.266 1243 T C 1.577 176.253 174.700 -0.040 0.000 1.048 1243 T CA 1.017 63.081 62.100 -0.060 0.000 1.139 1243 T CB -0.400 68.469 68.868 0.002 0.000 0.874 1243 T HN 0.131 nan 8.240 nan 0.000 0.455 1244 D N 1.384 121.743 120.400 -0.070 0.000 2.133 1244 D HA -0.106 4.515 4.640 -0.032 0.000 0.195 1244 D C 2.236 178.469 176.300 -0.112 0.000 0.997 1244 D CA 1.223 55.181 54.000 -0.071 0.000 0.840 1244 D CB -0.267 40.490 40.800 -0.072 0.000 0.947 1244 D HN 0.491 nan 8.370 nan 0.000 0.452 1245 R N -1.075 119.311 120.500 -0.189 0.000 2.112 1245 R HA -0.033 4.288 4.340 -0.032 0.000 0.216 1245 R C 1.701 177.757 176.300 -0.406 0.000 1.080 1245 R CA 0.735 56.623 56.100 -0.353 0.000 0.996 1245 R CB -0.040 29.920 30.300 -0.567 0.000 0.902 1245 R HN 0.246 nan 8.270 nan 0.000 0.449 1246 Y N -0.738 119.546 120.300 -0.026 0.000 2.507 1246 Y HA 0.375 4.904 4.550 -0.034 0.000 0.263 1246 Y C 0.666 176.563 175.900 -0.005 0.000 1.093 1246 Y CA 0.212 58.309 58.100 -0.005 0.000 1.285 1246 Y CB 1.508 39.964 38.460 -0.007 0.000 1.115 1246 Y HN 0.321 nan 8.280 nan 0.000 0.533 1247 G N -0.131 108.726 108.800 0.095 0.000 2.379 1247 G HA2 -0.061 3.879 3.960 -0.032 0.000 0.609 1247 G HA3 -0.061 3.879 3.960 -0.032 0.000 0.609 1247 G C -0.528 174.396 174.900 0.039 0.000 1.484 1247 G CA -1.043 44.091 45.100 0.056 0.000 0.921 1247 G HN -0.105 nan 8.290 nan 0.000 0.658 1248 R N 0.671 121.181 120.500 0.016 0.000 2.189 1248 R HA -0.001 4.319 4.340 -0.032 0.000 0.223 1248 R C 2.237 178.542 176.300 0.008 0.000 1.092 1248 R CA 1.558 57.675 56.100 0.028 0.000 0.989 1248 R CB -0.162 30.122 30.300 -0.026 0.000 0.876 1248 R HN 0.673 nan 8.270 nan 0.000 0.457 1249 N N -0.822 117.868 118.700 -0.016 0.000 2.322 1249 N HA -0.024 4.697 4.740 -0.032 0.000 0.194 1249 N C -0.592 174.932 175.510 0.023 0.000 1.126 1249 N CA 0.078 53.115 53.050 -0.023 0.000 0.845 1249 N CB -0.115 38.353 38.487 -0.032 0.000 0.976 1249 N HN -0.198 nan 8.380 nan 0.000 0.475 1250 T N 2.327 116.900 114.554 0.032 0.000 2.829 1250 T HA 0.015 4.346 4.350 -0.032 0.000 0.293 1250 T C 0.152 174.861 174.700 0.015 0.000 0.970 1250 T CA -0.354 61.759 62.100 0.023 0.000 1.168 1250 T CB 0.350 69.227 68.868 0.014 0.000 0.911 1250 T HN 0.171 nan 8.240 nan 0.000 0.535 1251 L N 6.166 127.413 121.223 0.040 0.000 2.477 1251 L HA 0.331 4.652 4.340 -0.032 0.000 0.272 1251 L C -0.494 176.394 176.870 0.031 0.000 1.157 1251 L CA 0.332 55.225 54.840 0.088 0.000 0.889 1251 L CB -0.405 41.748 42.059 0.157 0.000 1.158 1251 L HN 0.558 nan 8.230 nan 0.000 0.473 1252 I N 5.680 126.272 120.570 0.036 0.000 2.411 1252 I HA 0.312 4.463 4.170 -0.032 0.000 0.284 1252 I C -0.370 175.755 176.117 0.014 0.000 1.012 1252 I CA -0.395 60.893 61.300 -0.020 0.000 1.119 1252 I CB 1.398 39.352 38.000 -0.077 0.000 1.261 1252 I HN 0.557 nan 8.210 nan 0.000 0.448 1253 Q N 6.359 126.086 119.800 -0.121 0.000 2.325 1253 Q HA 0.423 4.744 4.340 -0.032 0.000 0.262 1253 Q C -1.348 174.591 176.000 -0.102 0.000 0.968 1253 Q CA -0.738 54.870 55.803 -0.326 0.000 0.877 1253 Q CB 1.443 29.796 28.738 -0.642 0.000 1.253 1253 Q HN 0.375 nan 8.270 nan 0.000 0.448 1254 F N 2.248 122.022 119.950 -0.294 0.000 2.418 1254 F HA 0.288 4.796 4.527 -0.032 0.000 0.341 1254 F C 0.544 176.307 175.800 -0.061 0.000 1.120 1254 F CA -0.201 57.712 58.000 -0.145 0.000 1.232 1254 F CB 0.927 39.743 39.000 -0.306 0.000 1.175 1254 F HN 0.518 nan 8.300 nan 0.000 0.569 1255 E N 1.106 121.470 120.200 0.272 0.000 2.304 1255 E HA 0.278 4.609 4.350 -0.032 0.000 0.277 1255 E C -1.461 175.250 176.600 0.186 0.000 0.898 1255 E CA -0.594 55.891 56.400 0.142 0.000 0.764 1255 E CB 0.845 30.539 29.700 -0.010 0.000 1.216 1255 E HN 0.481 nan 8.360 nan 0.000 0.419 1256 D N 3.592 124.074 120.400 0.135 0.000 2.735 1256 D HA -0.223 4.397 4.640 -0.032 0.000 0.235 1256 D C 0.004 176.348 176.300 0.073 0.000 1.175 1256 D CA 0.767 54.811 54.000 0.072 0.000 0.683 1256 D CB -1.036 39.757 40.800 -0.012 0.000 1.008 1256 D HN 0.421 nan 8.370 nan 0.000 0.416 1257 F N 0.394 120.377 119.950 0.055 0.000 2.530 1257 F HA 0.266 4.773 4.527 -0.033 0.000 0.292 1257 F C 1.752 177.597 175.800 0.075 0.000 1.109 1257 F CA 1.446 59.512 58.000 0.111 0.000 1.450 1257 F CB 0.703 39.856 39.000 0.255 0.000 1.114 1257 F HN 0.319 nan 8.300 nan 0.000 0.560 1258 G N 1.030 109.947 108.800 0.195 0.000 3.448 1258 G HA2 -0.213 3.728 3.960 -0.032 0.000 0.685 1258 G HA3 -0.213 3.728 3.960 -0.032 0.000 0.685 1258 G C 0.097 175.074 174.900 0.129 0.000 1.151 1258 G CA -0.301 44.870 45.100 0.118 0.000 1.023 1258 G HN 0.147 nan 8.290 nan 0.000 0.499 1259 N N 0.613 119.379 118.700 0.111 0.000 2.165 1259 N HA -0.316 4.405 4.740 -0.032 0.000 0.175 1259 N C 1.837 177.467 175.510 0.200 0.000 0.833 1259 N CA 2.647 55.792 53.050 0.159 0.000 0.886 1259 N CB -0.544 38.041 38.487 0.164 0.000 1.015 1259 N HN 0.985 nan 8.380 nan 0.000 0.938 1260 H N 0.098 119.200 119.070 0.055 0.000 2.319 1260 H HA 0.028 4.565 4.556 -0.032 0.000 0.297 1260 H C 1.571 176.861 175.328 -0.062 0.000 1.097 1260 H CA 2.249 58.300 56.048 0.005 0.000 1.285 1260 H CB -0.552 29.196 29.762 -0.024 0.000 1.368 1260 H HN 0.422 nan 8.280 nan 0.000 0.495 1261 N N -0.614 117.957 118.700 -0.215 0.000 2.216 1261 N HA -0.061 4.660 4.740 -0.032 0.000 0.183 1261 N C 1.981 177.269 175.510 -0.370 0.000 1.017 1261 N CA 0.675 53.431 53.050 -0.489 0.000 0.861 1261 N CB -0.088 38.354 38.487 -0.076 0.000 0.986 1261 N HN 0.445 nan 8.380 nan 0.000 0.428 1262 A N 0.378 123.143 122.820 -0.093 0.000 1.933 1262 A HA -0.094 4.207 4.320 -0.032 0.000 0.218 1262 A C 1.722 179.127 177.584 -0.298 0.000 1.175 1262 A CA 1.142 53.090 52.037 -0.147 0.000 0.628 1262 A CB -0.642 18.283 19.000 -0.125 0.000 0.814 1262 A HN 0.237 nan 8.150 nan 0.000 0.444 1263 F N 0.022 119.834 119.950 -0.230 0.000 2.219 1263 F HA -0.036 4.472 4.527 -0.032 0.000 0.294 1263 F C 2.624 178.328 175.800 -0.160 0.000 1.086 1263 F CA 1.378 59.235 58.000 -0.237 0.000 1.330 1263 F CB -0.089 38.609 39.000 -0.504 0.000 1.047 1263 F HN 0.259 nan 8.300 nan 0.000 0.495 1264 R N -0.202 120.246 120.500 -0.087 0.000 2.115 1264 R HA -0.120 4.201 4.340 -0.032 0.000 0.226 1264 R C 1.906 178.134 176.300 -0.121 0.000 1.100 1264 R CA 1.595 57.607 56.100 -0.147 0.000 0.980 1264 R CB -1.277 28.799 30.300 -0.374 0.000 0.875 1264 R HN 0.263 nan 8.270 nan 0.000 0.445 1265 F N 0.779 120.592 119.950 -0.229 0.000 2.293 1265 F HA -0.045 4.462 4.527 -0.032 0.000 0.297 1265 F C 2.179 177.747 175.800 -0.385 0.000 1.089 1265 F CA -0.184 57.607 58.000 -0.349 0.000 1.377 1265 F CB 0.039 38.849 39.000 -0.316 0.000 1.051 1265 F HN 0.047 nan 8.300 nan 0.000 0.511 1266 L N 0.912 122.042 121.223 -0.156 0.000 2.017 1266 L HA -0.169 4.152 4.340 -0.032 0.000 0.208 1266 L C 2.395 179.264 176.870 -0.002 0.000 1.073 1266 L CA 1.769 56.529 54.840 -0.132 0.000 0.745 1266 L CB -0.827 41.164 42.059 -0.115 0.000 0.894 1266 L HN -0.022 nan 8.230 nan 0.000 0.432 1267 R N -0.177 120.339 120.500 0.026 0.000 2.062 1267 R HA -0.189 4.132 4.340 -0.032 0.000 0.229 1267 R C 2.464 178.753 176.300 -0.018 0.000 1.128 1267 R CA 1.625 57.753 56.100 0.047 0.000 0.960 1267 R CB -0.292 30.061 30.300 0.088 0.000 0.855 1267 R HN 0.437 nan 8.270 nan 0.000 0.432 1268 K N -0.568 119.766 120.400 -0.110 0.000 2.152 1268 K HA -0.194 4.107 4.320 -0.032 0.000 0.206 1268 K C 1.059 177.503 176.600 -0.259 0.000 1.048 1268 K CA 1.710 57.844 56.287 -0.255 0.000 0.933 1268 K CB 0.005 32.233 32.500 -0.453 0.000 0.721 1268 K HN 0.360 nan 8.250 nan 0.000 0.447 1269 Y N -0.344 120.001 120.300 0.075 0.000 2.483 1269 Y HA 0.112 4.643 4.550 -0.031 0.000 0.258 1269 Y C 2.048 178.030 175.900 0.136 0.000 1.083 1269 Y CA -0.256 57.929 58.100 0.141 0.000 1.283 1269 Y CB 0.250 38.819 38.460 0.181 0.000 1.178 1269 Y HN -0.001 nan 8.280 nan 0.000 0.515 1270 R N 0.740 121.374 120.500 0.223 0.000 2.140 1270 R HA -0.209 4.112 4.340 -0.032 0.000 0.250 1270 R C 0.819 177.212 176.300 0.154 0.000 1.150 1270 R CA 2.018 58.241 56.100 0.205 0.000 0.966 1270 R CB -0.490 29.901 30.300 0.153 0.000 0.869 1270 R HN 0.198 nan 8.270 nan 0.000 0.445 1271 E N 0.114 120.314 120.200 -0.000 0.000 2.474 1271 E HA 0.060 4.390 4.350 -0.032 0.000 0.195 1271 E C 1.064 177.444 176.600 -0.366 0.000 1.039 1271 E CA 0.329 56.544 56.400 -0.307 0.000 0.881 1271 E CB 0.607 30.180 29.700 -0.211 0.000 0.970 1271 E HN 0.451 nan 8.360 nan 0.000 0.486 1272 K N -0.759 119.623 120.400 -0.030 0.000 2.350 1272 K HA 0.108 4.408 4.320 -0.032 0.000 0.196 1272 K C -0.040 176.458 176.600 -0.170 0.000 1.084 1272 K CA 0.389 56.596 56.287 -0.133 0.000 0.967 1272 K CB 0.694 33.061 32.500 -0.222 0.000 0.950 1272 K HN -0.059 nan 8.250 nan 0.000 0.512 1273 Y N -1.677 118.813 120.300 0.316 0.000 2.698 1273 Y HA 0.275 4.806 4.550 -0.032 0.000 0.332 1273 Y C -0.571 175.439 175.900 0.185 0.000 1.119 1273 Y CA -1.301 56.895 58.100 0.160 0.000 1.109 1273 Y CB 1.231 39.705 38.460 0.023 0.000 1.308 1273 Y HN -0.201 nan 8.280 nan 0.000 0.499 1274 C N 2.103 121.551 119.300 0.247 0.000 2.298 1274 C HA 0.562 5.003 4.460 -0.032 0.000 0.451 1274 C C 0.119 175.250 174.990 0.235 0.000 1.028 1274 C CA 0.178 59.306 59.018 0.183 0.000 1.324 1274 C CB -2.232 25.561 27.740 0.089 0.000 1.534 1274 C HN 0.674 nan 8.230 nan 0.000 0.528 1275 T N 3.266 118.000 114.554 0.299 0.000 2.907 1275 T HA 0.870 5.201 4.350 -0.032 0.000 0.290 1275 T C -1.120 173.821 174.700 0.402 0.000 1.066 1275 T CA -0.317 61.953 62.100 0.283 0.000 1.012 1275 T CB 1.403 70.397 68.868 0.210 0.000 1.184 1275 T HN 0.882 nan 8.240 nan 0.000 0.522 1276 F N 0.852 120.906 119.950 0.174 0.000 2.746 1276 F HA 0.545 5.052 4.527 -0.033 0.000 0.311 1276 F C -1.856 174.009 175.800 0.110 0.000 1.135 1276 F CA -1.113 56.986 58.000 0.165 0.000 0.954 1276 F CB 0.936 40.140 39.000 0.340 0.000 1.276 1276 F HN 0.585 nan 8.300 nan 0.000 0.440 1277 N N 2.120 120.930 118.700 0.183 0.000 2.476 1277 N HA 0.234 4.955 4.740 -0.032 0.000 0.257 1277 N C -0.070 175.535 175.510 0.158 0.000 0.970 1277 N CA -0.461 52.591 53.050 0.004 0.000 0.938 1277 N CB 1.421 39.847 38.487 -0.101 0.000 1.144 1277 N HN 0.839 nan 8.380 nan 0.000 0.500 1278 D N 2.539 123.016 120.400 0.127 0.000 2.218 1278 D HA -0.153 4.468 4.640 -0.032 0.000 0.204 1278 D C 0.672 177.042 176.300 0.116 0.000 0.976 1278 D CA 1.323 55.496 54.000 0.289 0.000 0.853 1278 D CB 0.306 41.248 40.800 0.237 0.000 0.939 1278 D HN 0.559 nan 8.370 nan 0.000 0.481 1279 D N -0.441 119.984 120.400 0.043 0.000 2.178 1279 D HA -0.091 4.530 4.640 -0.032 0.000 0.202 1279 D C 2.075 178.348 176.300 -0.046 0.000 0.974 1279 D CA 0.735 54.742 54.000 0.011 0.000 0.841 1279 D CB 0.084 40.881 40.800 -0.005 0.000 0.953 1279 D HN 0.427 nan 8.370 nan 0.000 0.478 1280 I N 0.118 120.612 120.570 -0.126 0.000 2.556 1280 I HA -0.123 4.028 4.170 -0.032 0.000 0.251 1280 I C 2.187 178.216 176.117 -0.146 0.000 1.105 1280 I CA 0.554 61.742 61.300 -0.186 0.000 1.436 1280 I CB -0.083 37.670 38.000 -0.412 0.000 1.139 1280 I HN -0.147 nan 8.210 nan 0.000 0.438 1281 Q N 0.815 120.470 119.800 -0.241 0.000 2.204 1281 Q HA 0.063 4.383 4.340 -0.032 0.000 0.198 1281 Q C 2.317 177.970 176.000 -0.579 0.000 0.946 1281 Q CA 1.149 56.609 55.803 -0.572 0.000 0.859 1281 Q CB -0.221 27.807 28.738 -1.184 0.000 0.946 1281 Q HN 0.536 nan 8.270 nan 0.000 0.474 1282 G N 0.551 109.184 108.800 -0.279 0.000 2.408 1282 G HA2 -0.223 3.718 3.960 -0.032 0.000 0.217 1282 G HA3 -0.223 3.718 3.960 -0.032 0.000 0.217 1282 G C 1.388 176.322 174.900 0.056 0.000 1.150 1282 G CA 1.286 46.379 45.100 -0.012 0.000 0.776 1282 G HN 0.213 nan 8.290 nan 0.000 0.542 1283 T N 1.796 116.378 114.554 0.046 0.000 2.622 1283 T HA -0.049 4.281 4.350 -0.032 0.000 0.266 1283 T C 2.850 177.603 174.700 0.088 0.000 1.047 1283 T CA 1.762 63.911 62.100 0.081 0.000 1.159 1283 T CB -0.539 68.366 68.868 0.063 0.000 0.863 1283 T HN 0.362 nan 8.240 nan 0.000 0.422 1284 A N 1.359 124.203 122.820 0.039 0.000 1.948 1284 A HA -0.004 4.297 4.320 -0.032 0.000 0.220 1284 A C 2.567 180.214 177.584 0.106 0.000 1.177 1284 A CA 2.158 54.238 52.037 0.072 0.000 0.636 1284 A CB -1.048 17.970 19.000 0.030 0.000 0.815 1284 A HN 0.546 nan 8.150 nan 0.000 0.449 1285 A N -0.393 122.478 122.820 0.084 0.000 1.970 1285 A HA 0.125 4.426 4.320 -0.032 0.000 0.216 1285 A C 2.240 179.933 177.584 0.182 0.000 1.170 1285 A CA 1.647 53.772 52.037 0.147 0.000 0.645 1285 A CB -0.971 18.148 19.000 0.198 0.000 0.816 1285 A HN 0.960 nan 8.150 nan 0.000 0.447 1286 V N -1.840 118.189 119.914 0.192 0.000 2.358 1286 V HA -0.075 4.026 4.120 -0.032 0.000 0.246 1286 V C 2.622 178.915 176.094 0.333 0.000 1.047 1286 V CA 1.626 64.074 62.300 0.247 0.000 1.035 1286 V CB -1.704 30.229 31.823 0.183 0.000 0.658 1286 V HN 0.452 nan 8.190 nan 0.000 0.452 1287 A N 1.018 124.012 122.820 0.290 0.000 1.858 1287 A HA -0.145 4.155 4.320 -0.032 0.000 0.216 1287 A C 2.202 179.982 177.584 0.326 0.000 1.190 1287 A CA 2.154 54.413 52.037 0.369 0.000 0.617 1287 A CB -0.843 18.347 19.000 0.316 0.000 0.827 1287 A HN 0.517 nan 8.150 nan 0.000 0.443 1288 L N 0.033 121.387 121.223 0.218 0.000 2.043 1288 L HA -0.156 4.165 4.340 -0.032 0.000 0.212 1288 L C 2.662 179.607 176.870 0.126 0.000 1.075 1288 L CA 2.334 57.261 54.840 0.145 0.000 0.752 1288 L CB -0.994 41.137 42.059 0.120 0.000 0.891 1288 L HN 0.386 nan 8.230 nan 0.000 0.432 1289 A N -0.774 122.139 122.820 0.157 0.000 1.978 1289 A HA -0.111 4.189 4.320 -0.032 0.000 0.220 1289 A C 2.322 179.903 177.584 -0.005 0.000 1.170 1289 A CA 1.692 53.785 52.037 0.094 0.000 0.636 1289 A CB -1.467 17.628 19.000 0.158 0.000 0.810 1289 A HN 0.556 nan 8.150 nan 0.000 0.448 1290 G N -0.070 108.795 108.800 0.109 0.000 2.404 1290 G HA2 -0.104 3.837 3.960 -0.032 0.000 0.214 1290 G HA3 -0.104 3.837 3.960 -0.032 0.000 0.214 1290 G C 1.487 176.465 174.900 0.130 0.000 1.189 1290 G CA 0.875 46.008 45.100 0.054 0.000 0.789 1290 G HN 0.446 nan 8.290 nan 0.000 0.533 1291 L N 0.016 121.277 121.223 0.063 0.000 2.189 1291 L HA -0.050 4.270 4.340 -0.032 0.000 0.214 1291 L C 2.805 179.653 176.870 -0.037 0.000 1.097 1291 L CA 0.494 55.268 54.840 -0.110 0.000 0.764 1291 L CB -0.446 41.528 42.059 -0.142 0.000 0.900 1291 L HN 0.166 nan 8.230 nan 0.000 0.436 1292 L N -0.448 120.766 121.223 -0.015 0.000 2.179 1292 L HA -0.065 4.256 4.340 -0.032 0.000 0.208 1292 L C 2.796 179.652 176.870 -0.023 0.000 1.096 1292 L CA 0.837 55.666 54.840 -0.018 0.000 0.779 1292 L CB -0.449 41.602 42.059 -0.013 0.000 0.922 1292 L HN 0.212 nan 8.230 nan 0.000 0.443 1293 A N -0.278 122.513 122.820 -0.047 0.000 2.014 1293 A HA -0.012 4.289 4.320 -0.032 0.000 0.218 1293 A C 2.460 180.039 177.584 -0.008 0.000 1.163 1293 A CA 1.265 53.270 52.037 -0.054 0.000 0.652 1293 A CB -0.422 18.496 19.000 -0.137 0.000 0.808 1293 A HN 0.366 nan 8.150 nan 0.000 0.449 1294 A N -0.891 121.936 122.820 0.013 0.000 1.841 1294 A HA -0.198 4.103 4.320 -0.032 0.000 0.214 1294 A C 2.144 179.752 177.584 0.040 0.000 1.195 1294 A CA 1.555 53.617 52.037 0.041 0.000 0.611 1294 A CB -0.629 18.387 19.000 0.026 0.000 0.835 1294 A HN 0.479 nan 8.150 nan 0.000 0.443 1295 Q N -0.514 119.311 119.800 0.042 0.000 2.152 1295 Q HA -0.228 4.093 4.340 -0.032 0.000 0.206 1295 Q C 1.924 177.950 176.000 0.043 0.000 0.985 1295 Q CA 1.916 57.758 55.803 0.066 0.000 0.863 1295 Q CB -0.202 28.577 28.738 0.068 0.000 0.904 1295 Q HN 0.665 nan 8.270 nan 0.000 0.422 1296 K N -0.330 120.085 120.400 0.025 0.000 2.520 1296 K HA -0.093 4.208 4.320 -0.032 0.000 0.197 1296 K C 1.561 178.177 176.600 0.026 0.000 1.043 1296 K CA 0.451 56.750 56.287 0.019 0.000 0.944 1296 K CB 0.287 32.791 32.500 0.007 0.000 0.770 1296 K HN 0.003 nan 8.250 nan 0.000 0.480 1297 V N 0.279 120.213 119.914 0.034 0.000 2.806 1297 V HA 0.047 4.147 4.120 -0.032 0.000 0.239 1297 V C 0.777 176.893 176.094 0.036 0.000 1.113 1297 V CA 0.362 62.686 62.300 0.040 0.000 1.137 1297 V CB 0.333 32.189 31.823 0.056 0.000 0.865 1297 V HN 0.180 nan 8.190 nan 0.000 0.482 1298 I N 0.583 121.173 120.570 0.035 0.000 2.517 1298 I HA 0.298 4.448 4.170 -0.032 0.000 0.289 1298 I C 0.332 176.467 176.117 0.030 0.000 1.149 1298 I CA 0.041 61.354 61.300 0.022 0.000 1.189 1298 I CB -0.378 37.623 38.000 0.001 0.000 1.641 1298 I HN 0.044 nan 8.210 nan 0.000 0.560 1299 S N 4.176 119.896 115.700 0.034 0.000 2.965 1299 S HA -0.036 4.415 4.470 -0.032 0.000 0.322 1299 S C 0.610 175.236 174.600 0.044 0.000 1.010 1299 S CA 0.385 58.611 58.200 0.043 0.000 1.797 1299 S CB -0.885 62.333 63.200 0.031 0.000 1.410 1299 S HN 0.676 nan 8.310 nan 0.000 0.640 1300 K N 1.525 121.967 120.400 0.070 0.000 2.345 1300 K HA 0.594 4.894 4.320 -0.032 0.000 0.255 1300 K C -3.271 173.425 176.600 0.161 0.000 0.934 1300 K CA -2.534 53.784 56.287 0.051 0.000 0.801 1300 K CB 0.792 33.256 32.500 -0.060 0.000 1.137 1300 K HN -0.123 nan 8.250 nan 0.000 0.424 1301 P HA -0.135 nan 4.420 nan 0.000 0.257 1301 P C 0.191 177.651 177.300 0.267 0.000 1.144 1301 P CA 0.330 63.508 63.100 0.131 0.000 0.761 1301 P CB 0.146 31.892 31.700 0.078 0.000 0.734 1302 I N 2.973 123.635 120.570 0.154 0.000 2.800 1302 I HA -0.260 3.890 4.170 -0.032 0.000 0.266 1302 I C 2.034 178.239 176.117 0.147 0.000 1.249 1302 I CA 1.821 63.106 61.300 -0.025 0.000 1.458 1302 I CB -0.562 37.349 38.000 -0.148 0.000 1.093 1302 I HN 0.343 nan 8.210 nan 0.000 0.466 1303 S N -1.226 114.567 115.700 0.156 0.000 2.527 1303 S HA 0.021 4.471 4.470 -0.032 0.000 0.222 1303 S C 1.547 176.232 174.600 0.141 0.000 0.985 1303 S CA 0.166 58.436 58.200 0.117 0.000 0.921 1303 S CB -0.247 62.995 63.200 0.069 0.000 0.772 1303 S HN 0.494 nan 8.310 nan 0.000 0.529 1304 E N 1.038 121.353 120.200 0.191 0.000 2.403 1304 E HA 0.117 4.447 4.350 -0.032 0.000 0.188 1304 E C -0.467 176.118 176.600 -0.025 0.000 1.056 1304 E CA -0.091 56.343 56.400 0.057 0.000 0.892 1304 E CB 0.176 29.862 29.700 -0.023 0.000 1.049 1304 E HN 0.688 nan 8.360 nan 0.000 0.465 1305 H N 0.368 119.447 119.070 0.016 0.000 2.492 1305 H HA 0.436 4.973 4.556 -0.032 0.000 0.345 1305 H C -0.441 174.913 175.328 0.044 0.000 1.136 1305 H CA -0.604 55.454 56.048 0.016 0.000 1.202 1305 H CB 1.975 31.744 29.762 0.012 0.000 1.524 1305 H HN -0.156 nan 8.280 nan 0.000 0.506 1306 K N 2.893 123.376 120.400 0.138 0.000 2.581 1306 K HA 0.357 4.657 4.320 -0.032 0.000 0.249 1306 K C -1.702 174.961 176.600 0.105 0.000 0.966 1306 K CA -0.397 55.981 56.287 0.152 0.000 0.811 1306 K CB 1.272 33.837 32.500 0.108 0.000 1.223 1306 K HN 0.424 nan 8.250 nan 0.000 0.438 1307 I N 4.316 124.976 120.570 0.150 0.000 2.404 1307 I HA 0.384 4.535 4.170 -0.032 0.000 0.293 1307 I C -1.032 175.144 176.117 0.098 0.000 0.992 1307 I CA -1.001 60.322 61.300 0.037 0.000 1.149 1307 I CB 1.620 39.600 38.000 -0.034 0.000 1.315 1307 I HN 0.429 nan 8.210 nan 0.000 0.446 1308 L N 6.971 128.190 121.223 -0.007 0.000 2.313 1308 L HA 0.590 4.911 4.340 -0.032 0.000 0.283 1308 L C -1.448 175.515 176.870 0.156 0.000 1.013 1308 L CA -0.039 54.884 54.840 0.138 0.000 0.816 1308 L CB 0.882 42.931 42.059 -0.018 0.000 1.236 1308 L HN 0.273 nan 8.230 nan 0.000 0.419 1309 F N 5.173 125.357 119.950 0.389 0.000 2.415 1309 F HA 0.439 4.946 4.527 -0.032 0.000 0.348 1309 F C -0.128 175.952 175.800 0.468 0.000 1.119 1309 F CA -0.484 57.733 58.000 0.360 0.000 1.069 1309 F CB 1.668 40.785 39.000 0.196 0.000 1.124 1309 F HN 0.331 nan 8.300 nan 0.000 0.472 1310 L N 4.482 125.976 121.223 0.452 0.000 2.302 1310 L HA 0.729 5.049 4.340 -0.032 0.000 0.285 1310 L C 0.017 176.994 176.870 0.178 0.000 1.090 1310 L CA 0.312 55.212 54.840 0.101 0.000 0.866 1310 L CB -0.381 41.475 42.059 -0.339 0.000 1.244 1310 L HN 0.709 nan 8.230 nan 0.000 0.435 1311 G N 3.429 112.378 108.800 0.249 0.000 2.525 1311 G HA2 0.383 4.324 3.960 -0.032 0.000 0.685 1311 G HA3 0.383 4.324 3.960 -0.032 0.000 0.685 1311 G C -0.622 174.367 174.900 0.150 0.000 1.285 1311 G CA -0.411 44.783 45.100 0.157 0.000 0.849 1311 G HN 1.201 nan 8.290 nan 0.000 0.653 1312 A N 0.450 123.314 122.820 0.073 0.000 2.806 1312 A HA 0.825 5.126 4.320 -0.032 0.000 0.266 1312 A C 0.949 178.527 177.584 -0.011 0.000 0.926 1312 A CA 1.110 53.151 52.037 0.007 0.000 1.068 1312 A CB -0.033 18.990 19.000 0.038 0.000 1.189 1312 A HN 2.198 nan 8.150 nan 0.000 0.481 1313 G N -1.041 107.761 108.800 0.005 0.000 2.857 1313 G HA2 0.403 4.343 3.960 -0.032 0.000 0.217 1313 G HA3 0.403 4.343 3.960 -0.032 0.000 0.217 1313 G C 0.681 175.616 174.900 0.058 0.000 1.357 1313 G CA 0.383 45.499 45.100 0.027 0.000 1.033 1313 G HN 0.286 nan 8.290 nan 0.000 0.571 1314 E N -0.795 119.485 120.200 0.134 0.000 2.068 1314 E HA -0.289 4.042 4.350 -0.032 0.000 0.207 1314 E C 2.649 179.341 176.600 0.154 0.000 1.032 1314 E CA 1.941 58.484 56.400 0.238 0.000 0.839 1314 E CB -0.313 29.468 29.700 0.135 0.000 0.758 1314 E HN 0.405 nan 8.360 nan 0.000 0.457 1315 A N 0.905 123.774 122.820 0.080 0.000 1.877 1315 A HA -0.114 4.187 4.320 -0.032 0.000 0.216 1315 A C 2.396 179.999 177.584 0.032 0.000 1.186 1315 A CA 2.120 54.199 52.037 0.070 0.000 0.620 1315 A CB -0.853 18.197 19.000 0.083 0.000 0.822 1315 A HN 0.452 nan 8.150 nan 0.000 0.443 1316 A N -0.195 122.601 122.820 -0.041 0.000 1.883 1316 A HA -0.092 4.209 4.320 -0.032 0.000 0.217 1316 A C 2.199 179.488 177.584 -0.493 0.000 1.186 1316 A CA 1.612 53.443 52.037 -0.343 0.000 0.624 1316 A CB -0.668 18.142 19.000 -0.315 0.000 0.822 1316 A HN 0.482 nan 8.150 nan 0.000 0.444 1317 L N -0.886 120.208 121.223 -0.215 0.000 2.046 1317 L HA -0.124 4.197 4.340 -0.032 0.000 0.208 1317 L C 2.853 179.747 176.870 0.040 0.000 1.077 1317 L CA 1.153 55.923 54.840 -0.117 0.000 0.747 1317 L CB -0.881 41.164 42.059 -0.023 0.000 0.896 1317 L HN 0.508 nan 8.230 nan 0.000 0.432 1318 G N 0.234 109.119 108.800 0.143 0.000 2.408 1318 G HA2 -0.190 3.750 3.960 -0.032 0.000 0.217 1318 G HA3 -0.190 3.750 3.960 -0.032 0.000 0.217 1318 G C 1.578 176.528 174.900 0.083 0.000 1.150 1318 G CA 0.594 45.783 45.100 0.148 0.000 0.776 1318 G HN 0.286 nan 8.290 nan 0.000 0.542 1319 I N 1.235 121.831 120.570 0.042 0.000 2.286 1319 I HA -0.071 4.080 4.170 -0.032 0.000 0.245 1319 I C 3.270 179.442 176.117 0.092 0.000 1.104 1319 I CA 0.798 62.165 61.300 0.112 0.000 1.397 1319 I CB -0.241 37.907 38.000 0.246 0.000 1.072 1319 I HN 0.221 nan 8.210 nan 0.000 0.417 1320 A N 1.471 124.206 122.820 -0.141 0.000 1.851 1320 A HA -0.246 4.054 4.320 -0.032 0.000 0.216 1320 A C 2.094 179.729 177.584 0.085 0.000 1.195 1320 A CA 2.192 54.105 52.037 -0.206 0.000 0.622 1320 A CB -0.864 17.533 19.000 -1.005 0.000 0.831 1320 A HN 0.404 nan 8.150 nan 0.000 0.444 1321 N N -0.290 118.503 118.700 0.155 0.000 2.091 1321 N HA -0.177 4.544 4.740 -0.032 0.000 0.193 1321 N C 1.481 177.104 175.510 0.190 0.000 1.021 1321 N CA 1.686 54.892 53.050 0.260 0.000 0.862 1321 N CB -0.601 38.044 38.487 0.262 0.000 1.018 1321 N HN 0.413 nan 8.380 nan 0.000 0.429 1322 L N 0.575 121.891 121.223 0.155 0.000 2.313 1322 L HA 0.153 4.474 4.340 -0.032 0.000 0.214 1322 L C 1.901 178.847 176.870 0.126 0.000 1.119 1322 L CA 0.748 55.671 54.840 0.138 0.000 0.809 1322 L CB -0.155 41.982 42.059 0.129 0.000 0.933 1322 L HN 0.094 nan 8.230 nan 0.000 0.449 1323 I N -1.769 118.885 120.570 0.139 0.000 2.233 1323 I HA -0.173 3.977 4.170 -0.032 0.000 0.243 1323 I C 1.287 177.475 176.117 0.118 0.000 1.093 1323 I CA 0.226 61.601 61.300 0.125 0.000 1.380 1323 I CB 0.018 38.114 38.000 0.160 0.000 1.067 1323 I HN -0.124 nan 8.210 nan 0.000 0.413 1329 E N 1.235 121.449 120.200 0.023 0.000 2.455 1329 E HA -0.212 4.118 4.350 -0.032 0.000 0.202 1329 E C 1.158 177.766 176.600 0.014 0.000 1.045 1329 E CA 2.128 58.540 56.400 0.021 0.000 0.872 1329 E CB -0.275 29.439 29.700 0.024 0.000 0.792 1329 E HN 0.775 nan 8.360 nan 0.000 0.542 1330 N N -0.904 117.800 118.700 0.008 0.000 2.254 1330 N HA 0.194 4.914 4.740 -0.032 0.000 0.190 1330 N C 0.624 176.136 175.510 0.004 0.000 1.107 1330 N CA 0.540 53.591 53.050 0.002 0.000 0.869 1330 N CB 1.466 39.947 38.487 -0.010 0.000 0.983 1330 N HN 0.311 nan 8.380 nan 0.000 0.487 1331 G N -0.618 108.186 108.800 0.008 0.000 2.425 1331 G HA2 -0.129 3.812 3.960 -0.032 0.000 0.177 1331 G HA3 -0.129 3.812 3.960 -0.032 0.000 0.177 1331 G C -0.594 174.311 174.900 0.008 0.000 0.999 1331 G CA -0.561 44.544 45.100 0.008 0.000 0.723 1331 G HN 0.008 nan 8.290 nan 0.000 0.491 1332 L N 1.814 123.042 121.223 0.009 0.000 2.360 1332 L HA 0.788 5.109 4.340 -0.032 0.000 0.271 1332 L C 1.192 178.067 176.870 0.009 0.000 1.057 1332 L CA -0.258 54.588 54.840 0.010 0.000 0.803 1332 L CB 1.569 43.637 42.059 0.014 0.000 1.207 1332 L HN 0.194 nan 8.230 nan 0.000 0.445 1333 S N 0.375 116.077 115.700 0.003 0.000 2.596 1333 S HA 0.026 4.476 4.470 -0.032 0.000 0.260 1333 S C 1.202 175.801 174.600 -0.002 0.000 1.336 1333 S CA 0.133 58.331 58.200 -0.003 0.000 0.993 1333 S CB 0.507 63.701 63.200 -0.011 0.000 0.923 1333 S HN 0.770 nan 8.310 nan 0.000 0.567 1334 E N 0.901 121.096 120.200 -0.010 0.000 2.047 1334 E HA -0.136 4.195 4.350 -0.032 0.000 0.191 1334 E C 2.639 179.222 176.600 -0.029 0.000 0.987 1334 E CA 1.528 57.920 56.400 -0.013 0.000 0.799 1334 E CB -0.668 29.017 29.700 -0.026 0.000 0.752 1334 E HN 0.807 nan 8.360 nan 0.000 0.449 1335 Q N 0.963 120.735 119.800 -0.046 0.000 2.061 1335 Q HA -0.292 4.028 4.340 -0.032 0.000 0.204 1335 Q C 1.813 177.778 176.000 -0.059 0.000 0.984 1335 Q CA 2.133 57.895 55.803 -0.068 0.000 0.846 1335 Q CB -0.978 27.720 28.738 -0.066 0.000 0.902 1335 Q HN 0.491 nan 8.270 nan 0.000 0.421 1336 E N 0.079 120.260 120.200 -0.033 0.000 2.058 1336 E HA -0.065 4.266 4.350 -0.032 0.000 0.194 1336 E C 2.407 179.011 176.600 0.007 0.000 0.997 1336 E CA 1.241 57.630 56.400 -0.018 0.000 0.801 1336 E CB -0.295 29.403 29.700 -0.002 0.000 0.746 1336 E HN 0.694 nan 8.360 nan 0.000 0.450 1337 A N 0.977 123.812 122.820 0.025 0.000 1.908 1337 A HA -0.298 4.003 4.320 -0.032 0.000 0.218 1337 A C 2.038 179.692 177.584 0.118 0.000 1.181 1337 A CA 1.761 53.838 52.037 0.067 0.000 0.627 1337 A CB -0.525 18.516 19.000 0.068 0.000 0.818 1337 A HN 0.225 nan 8.150 nan 0.000 0.445 1338 Q N -0.980 118.870 119.800 0.084 0.000 2.297 1338 Q HA -0.058 4.263 4.340 -0.032 0.000 0.204 1338 Q C 2.348 178.425 176.000 0.128 0.000 0.962 1338 Q CA 1.488 57.378 55.803 0.145 0.000 0.879 1338 Q CB -0.287 28.396 28.738 -0.091 0.000 0.947 1338 Q HN 0.724 nan 8.270 nan 0.000 0.462 1339 K N 1.572 121.923 120.400 -0.082 0.000 2.217 1339 K HA -0.090 4.211 4.320 -0.032 0.000 0.202 1339 K C 1.559 178.131 176.600 -0.048 0.000 1.051 1339 K CA 1.008 57.084 56.287 -0.353 0.000 0.952 1339 K CB -0.297 32.051 32.500 -0.254 0.000 0.736 1339 K HN 0.115 nan 8.250 nan 0.000 0.453 1340 K N -0.122 120.356 120.400 0.130 0.000 2.505 1340 K HA 0.233 4.534 4.320 -0.032 0.000 0.192 1340 K C -0.206 176.608 176.600 0.358 0.000 1.025 1340 K CA 0.098 56.534 56.287 0.249 0.000 1.086 1340 K CB -0.132 32.482 32.500 0.189 0.000 0.840 1340 K HN 0.407 nan 8.250 nan 0.000 0.514 1341 I N 0.736 121.540 120.570 0.389 0.000 2.418 1341 I HA 0.268 4.418 4.170 -0.032 0.000 0.287 1341 I C -0.849 175.496 176.117 0.381 0.000 1.008 1341 I CA -0.833 60.737 61.300 0.450 0.000 1.104 1341 I CB 0.985 39.253 38.000 0.447 0.000 1.264 1341 I HN -0.056 nan 8.210 nan 0.000 0.438 1345 D N 4.092 124.490 120.400 -0.003 0.000 2.560 1345 D HA 0.224 4.845 4.640 -0.032 0.000 0.277 1345 D C 0.887 177.110 176.300 -0.128 0.000 1.194 1345 D CA -0.406 53.602 54.000 0.013 0.000 1.092 1345 D CB 0.437 41.269 40.800 0.053 0.000 1.169 1345 D HN 0.544 nan 8.370 nan 0.000 0.607 1346 K N -0.913 119.386 120.400 -0.169 0.000 2.519 1346 K HA -0.149 4.152 4.320 -0.032 0.000 0.196 1346 K C 0.283 176.571 176.600 -0.520 0.000 1.041 1346 K CA 1.009 57.088 56.287 -0.347 0.000 0.954 1346 K CB -0.516 31.701 32.500 -0.471 0.000 0.774 1346 K HN 0.435 nan 8.250 nan 0.000 0.480 1347 Y N 0.865 121.073 120.300 -0.153 0.000 2.681 1347 Y HA 0.287 4.818 4.550 -0.032 0.000 0.267 1347 Y C 0.973 176.706 175.900 -0.278 0.000 1.166 1347 Y CA -0.033 57.977 58.100 -0.149 0.000 1.209 1347 Y CB 1.060 39.462 38.460 -0.096 0.000 1.161 1347 Y HN 0.357 nan 8.280 nan 0.000 0.534 1348 G N 0.458 108.936 108.800 -0.536 0.000 2.660 1348 G HA2 -0.241 3.700 3.960 -0.032 0.000 0.247 1348 G HA3 -0.241 3.700 3.960 -0.032 0.000 0.247 1348 G C -1.076 173.185 174.900 -1.065 0.000 1.328 1348 G CA -1.066 43.336 45.100 -1.163 0.000 0.884 1348 G HN 0.075 nan 8.290 nan 0.000 0.531 1349 L N 0.177 121.088 121.223 -0.521 0.000 2.559 1349 L HA 0.265 4.586 4.340 -0.032 0.000 0.274 1349 L C 1.074 178.022 176.870 0.130 0.000 1.205 1349 L CA -0.259 54.692 54.840 0.184 0.000 0.907 1349 L CB 0.325 42.665 42.059 0.468 0.000 1.153 1349 L HN 0.537 nan 8.230 nan 0.000 0.490 1350 L N 6.974 128.296 121.223 0.164 0.000 2.623 1350 L HA 0.125 4.445 4.340 -0.032 0.000 0.281 1350 L C -0.170 176.768 176.870 0.113 0.000 1.150 1350 L CA 0.510 55.406 54.840 0.094 0.000 0.965 1350 L CB -0.073 42.028 42.059 0.070 0.000 1.303 1350 L HN 0.356 nan 8.230 nan 0.000 0.467 1351 V N 4.264 124.242 119.914 0.106 0.000 2.769 1351 V HA 0.308 4.408 4.120 -0.032 0.000 0.312 1351 V C 0.360 176.490 176.094 0.061 0.000 1.061 1351 V CA -1.292 61.088 62.300 0.133 0.000 0.931 1351 V CB 2.669 34.617 31.823 0.209 0.000 1.010 1351 V HN 0.553 nan 8.190 nan 0.000 0.433 1352 K N 2.192 122.625 120.400 0.054 0.000 2.430 1352 K HA 0.346 4.647 4.320 -0.032 0.000 0.280 1352 K C 1.117 177.735 176.600 0.031 0.000 1.063 1352 K CA 1.344 57.647 56.287 0.027 0.000 1.071 1352 K CB -0.050 32.470 32.500 0.034 0.000 0.899 1352 K HN 1.093 nan 8.250 nan 0.000 0.473 1353 G N 3.035 111.841 108.800 0.010 0.000 2.234 1353 G HA2 -0.320 3.621 3.960 -0.032 0.000 0.235 1353 G HA3 -0.320 3.621 3.960 -0.032 0.000 0.235 1353 G C 0.081 174.983 174.900 0.003 0.000 0.997 1353 G CA 0.164 45.268 45.100 0.006 0.000 0.623 1353 G HN 0.723 nan 8.290 nan 0.000 0.514 1354 R N 0.811 121.318 120.500 0.010 0.000 2.705 1354 R HA 0.094 4.415 4.340 -0.032 0.000 0.264 1354 R C 1.369 177.654 176.300 -0.026 0.000 0.988 1354 R CA 1.131 57.233 56.100 0.004 0.000 1.103 1354 R CB 0.311 30.617 30.300 0.010 0.000 0.950 1354 R HN 0.168 nan 8.270 nan 0.000 0.427 1355 K N 2.682 123.064 120.400 -0.030 0.000 2.025 1355 K HA -0.011 4.290 4.320 -0.032 0.000 0.207 1355 K C 0.449 176.982 176.600 -0.112 0.000 1.049 1355 K CA 1.687 57.941 56.287 -0.055 0.000 0.933 1355 K CB -0.544 31.932 32.500 -0.039 0.000 0.714 1355 K HN 0.739 nan 8.250 nan 0.000 0.438 1356 A N 1.979 124.707 122.820 -0.153 0.000 2.531 1356 A HA 0.060 4.361 4.320 -0.032 0.000 0.236 1356 A C -0.100 177.353 177.584 -0.219 0.000 1.062 1356 A CA 0.037 51.882 52.037 -0.321 0.000 0.760 1356 A CB -0.165 18.609 19.000 -0.375 0.000 0.995 1356 A HN 0.425 nan 8.150 nan 0.000 0.501 1357 K N 1.113 121.366 120.400 -0.245 0.000 2.154 1357 K HA 0.557 4.857 4.320 -0.032 0.000 0.264 1357 K C -1.286 175.252 176.600 -0.104 0.000 1.008 1357 K CA -0.295 55.905 56.287 -0.145 0.000 0.937 1357 K CB 0.617 33.039 32.500 -0.130 0.000 1.002 1357 K HN 0.375 nan 8.250 nan 0.000 0.469 1358 I N 1.935 122.464 120.570 -0.068 0.000 2.569 1358 I HA 0.191 4.342 4.170 -0.032 0.000 0.296 1358 I C -0.736 175.359 176.117 -0.037 0.000 1.028 1358 I CA -0.586 60.688 61.300 -0.043 0.000 1.082 1358 I CB 1.947 39.925 38.000 -0.037 0.000 1.264 1358 I HN 0.833 nan 8.210 nan 0.000 0.429 1359 D N 2.265 122.653 120.400 -0.020 0.000 2.385 1359 D HA 0.411 5.032 4.640 -0.032 0.000 0.254 1359 D C 0.905 177.207 176.300 0.003 0.000 1.053 1359 D CA -0.656 53.340 54.000 -0.007 0.000 0.992 1359 D CB 0.902 41.705 40.800 0.005 0.000 1.145 1359 D HN 0.442 nan 8.370 nan 0.000 0.523 1360 S N -0.207 115.497 115.700 0.007 0.000 2.401 1360 S HA -0.363 4.088 4.470 -0.032 0.000 0.236 1360 S C 1.827 176.368 174.600 -0.098 0.000 1.058 1360 S CA 1.453 59.620 58.200 -0.056 0.000 1.151 1360 S CB -1.290 61.868 63.200 -0.070 0.000 1.049 1360 S HN 0.591 nan 8.310 nan 0.000 0.432 1361 Y N 2.572 122.788 120.300 -0.141 0.000 2.384 1361 Y HA -0.106 4.425 4.550 -0.032 0.000 0.289 1361 Y C 2.796 178.681 175.900 -0.026 0.000 1.152 1361 Y CA 1.153 59.167 58.100 -0.144 0.000 1.258 1361 Y CB -0.563 37.690 38.460 -0.345 0.000 0.979 1361 Y HN 0.416 nan 8.280 nan 0.000 0.549 1362 Q N -0.918 118.944 119.800 0.104 0.000 2.204 1362 Q HA -0.122 4.198 4.340 -0.032 0.000 0.198 1362 Q C 2.078 178.097 176.000 0.030 0.000 0.946 1362 Q CA 0.513 56.389 55.803 0.122 0.000 0.859 1362 Q CB -0.011 28.759 28.738 0.054 0.000 0.946 1362 Q HN 0.235 nan 8.270 nan 0.000 0.474 1363 E N 0.820 120.983 120.200 -0.062 0.000 2.108 1363 E HA -0.201 4.129 4.350 -0.032 0.000 0.203 1363 E C -0.828 175.641 176.600 -0.219 0.000 1.022 1363 E CA 1.642 57.969 56.400 -0.122 0.000 0.823 1363 E CB -1.225 28.405 29.700 -0.117 0.000 0.744 1363 E HN 0.289 nan 8.360 nan 0.000 0.456 1364 P HA -0.168 nan 4.420 nan 0.000 0.218 1364 P C 0.889 177.783 177.300 -0.676 0.000 1.146 1364 P CA 1.371 64.121 63.100 -0.582 0.000 0.820 1364 P CB -0.322 30.853 31.700 -0.876 0.000 0.778 1365 F N -1.604 118.232 119.950 -0.189 0.000 2.653 1365 F HA 0.192 4.700 4.527 -0.032 0.000 0.304 1365 F C 0.848 176.111 175.800 -0.895 0.000 1.092 1365 F CA -0.093 57.631 58.000 -0.459 0.000 1.279 1365 F CB -0.367 38.483 39.000 -0.250 0.000 1.044 1365 F HN -0.322 nan 8.300 nan 0.000 0.564 1366 T N 1.892 116.181 114.554 -0.442 0.000 2.811 1366 T HA 0.225 4.555 4.350 -0.032 0.000 0.309 1366 T C -0.068 174.438 174.700 -0.323 0.000 1.005 1366 T CA -0.246 61.648 62.100 -0.344 0.000 0.955 1366 T CB -0.102 68.685 68.868 -0.136 0.000 0.970 1366 T HN 0.062 nan 8.240 nan 0.000 0.496 1367 H N 0.745 119.622 119.070 -0.322 0.000 2.580 1367 H HA 0.483 5.020 4.556 -0.032 0.000 0.324 1367 H C 0.556 175.844 175.328 -0.067 0.000 1.436 1367 H CA -1.291 54.564 56.048 -0.321 0.000 1.464 1367 H CB 0.409 29.719 29.762 -0.753 0.000 1.752 1367 H HN 0.337 nan 8.280 nan 0.000 0.726 1368 S N 0.008 115.819 115.700 0.186 0.000 2.549 1368 S HA 0.362 4.813 4.470 -0.032 0.000 0.279 1368 S C 0.200 174.998 174.600 0.330 0.000 1.321 1368 S CA -0.577 57.741 58.200 0.197 0.000 1.054 1368 S CB 0.280 63.568 63.200 0.145 0.000 0.899 1368 S HN 0.730 nan 8.310 nan 0.000 0.497 1369 A N 5.509 128.476 122.820 0.245 0.000 2.540 1369 A HA 0.383 4.684 4.320 -0.032 0.000 0.239 1369 A C -1.981 175.721 177.584 0.197 0.000 1.061 1369 A CA -0.802 51.381 52.037 0.244 0.000 0.758 1369 A CB -0.630 18.461 19.000 0.153 0.000 0.991 1369 A HN 0.543 nan 8.150 nan 0.000 0.502 1370 P HA 0.175 nan 4.420 nan 0.000 0.275 1370 P C 0.749 178.075 177.300 0.043 0.000 1.266 1370 P CA -0.465 62.666 63.100 0.051 0.000 0.793 1370 P CB 0.525 32.181 31.700 -0.074 0.000 1.074 1371 E N -0.115 120.099 120.200 0.022 0.000 2.110 1371 E HA -0.091 4.240 4.350 -0.032 0.000 0.193 1371 E C -0.213 176.396 176.600 0.015 0.000 0.988 1371 E CA 0.898 57.310 56.400 0.020 0.000 0.804 1371 E CB -0.071 29.635 29.700 0.009 0.000 0.745 1371 E HN 0.422 nan 8.360 nan 0.000 0.458 1372 S N 0.791 116.490 115.700 -0.003 0.000 2.466 1372 S HA 0.352 4.803 4.470 -0.032 0.000 0.313 1372 S C -0.089 174.512 174.600 0.002 0.000 1.078 1372 S CA -0.494 57.703 58.200 -0.005 0.000 1.115 1372 S CB 0.701 63.886 63.200 -0.025 0.000 1.006 1372 S HN 0.144 nan 8.310 nan 0.000 0.487 1373 I N 5.593 126.183 120.570 0.033 0.000 2.406 1373 I HA 0.155 4.306 4.170 -0.032 0.000 0.293 1373 I C -1.755 174.407 176.117 0.076 0.000 1.101 1373 I CA -1.898 59.440 61.300 0.064 0.000 1.334 1373 I CB 0.568 38.616 38.000 0.080 0.000 1.421 1373 I HN 0.364 nan 8.210 nan 0.000 0.513 1374 P HA 0.071 nan 4.420 nan 0.000 0.269 1374 P C -0.874 176.556 177.300 0.215 0.000 1.209 1374 P CA -0.128 63.034 63.100 0.103 0.000 0.776 1374 P CB 0.664 32.390 31.700 0.043 0.000 0.876 1375 D N -1.411 119.100 120.400 0.185 0.000 2.623 1375 D HA 0.253 4.874 4.640 -0.032 0.000 0.252 1375 D C -0.443 176.017 176.300 0.265 0.000 1.294 1375 D CA -0.347 53.793 54.000 0.234 0.000 0.824 1375 D CB 0.105 40.988 40.800 0.138 0.000 1.070 1375 D HN 0.147 nan 8.370 nan 0.000 0.487 1376 T N -0.506 114.182 114.554 0.223 0.000 3.087 1376 T HA 0.091 4.422 4.350 -0.032 0.000 0.351 1376 T C -0.508 174.022 174.700 -0.284 0.000 1.520 1376 T CA -0.706 61.439 62.100 0.075 0.000 1.111 1376 T CB 0.857 69.752 68.868 0.045 0.000 1.353 1376 T HN -0.116 nan 8.240 nan 0.000 0.481 1377 F N 2.069 121.642 119.950 -0.629 0.000 2.126 1377 F HA -0.040 4.468 4.527 -0.032 0.000 0.299 1377 F C 2.313 177.886 175.800 -0.378 0.000 1.096 1377 F CA 1.958 59.493 58.000 -0.774 0.000 1.255 1377 F CB 0.186 38.926 39.000 -0.432 0.000 0.997 1377 F HN 0.766 nan 8.300 nan 0.000 0.479 1378 E N -0.182 119.948 120.200 -0.117 0.000 2.118 1378 E HA -0.236 4.094 4.350 -0.032 0.000 0.195 1378 E C 1.720 178.205 176.600 -0.191 0.000 0.992 1378 E CA 1.519 57.844 56.400 -0.126 0.000 0.804 1378 E CB -0.118 29.561 29.700 -0.035 0.000 0.741 1378 E HN 0.417 nan 8.360 nan 0.000 0.458 1379 D N 0.016 120.308 120.400 -0.179 0.000 2.077 1379 D HA -0.111 4.510 4.640 -0.032 0.000 0.196 1379 D C 1.856 178.015 176.300 -0.234 0.000 0.986 1379 D CA 1.385 55.293 54.000 -0.153 0.000 0.829 1379 D CB -0.491 40.260 40.800 -0.083 0.000 0.983 1379 D HN 0.220 nan 8.370 nan 0.000 0.453 1380 A N 0.832 123.450 122.820 -0.336 0.000 1.884 1380 A HA -0.212 4.088 4.320 -0.032 0.000 0.219 1380 A C 2.538 179.852 177.584 -0.449 0.000 1.197 1380 A CA 1.816 53.610 52.037 -0.405 0.000 0.637 1380 A CB -1.035 17.624 19.000 -0.567 0.000 0.827 1380 A HN 0.165 nan 8.150 nan 0.000 0.450 1381 V N 0.807 120.392 119.914 -0.548 0.000 2.546 1381 V HA -0.277 3.823 4.120 -0.032 0.000 0.254 1381 V C 2.169 178.088 176.094 -0.292 0.000 1.076 1381 V CA 2.221 64.251 62.300 -0.450 0.000 1.087 1381 V CB -0.891 30.680 31.823 -0.420 0.000 0.674 1381 V HN 0.595 nan 8.190 nan 0.000 0.470 1382 N N -0.513 118.039 118.700 -0.246 0.000 2.305 1382 N HA 0.127 4.848 4.740 -0.032 0.000 0.179 1382 N C 1.755 177.160 175.510 -0.174 0.000 1.019 1382 N CA 1.012 53.956 53.050 -0.177 0.000 0.869 1382 N CB 0.004 38.409 38.487 -0.137 0.000 1.000 1382 N HN 0.385 nan 8.380 nan 0.000 0.431 1383 I N 0.644 121.097 120.570 -0.195 0.000 2.141 1383 I HA -0.178 3.973 4.170 -0.032 0.000 0.236 1383 I C 1.646 177.617 176.117 -0.244 0.000 1.071 1383 I CA 0.750 61.936 61.300 -0.190 0.000 1.345 1383 I CB -0.082 37.808 38.000 -0.183 0.000 1.066 1383 I HN 0.003 nan 8.210 nan 0.000 0.406 1384 L N 0.435 121.455 121.223 -0.338 0.000 2.141 1384 L HA -0.096 4.225 4.340 -0.032 0.000 0.209 1384 L C 1.198 177.897 176.870 -0.285 0.000 1.094 1384 L CA 1.150 55.735 54.840 -0.424 0.000 0.763 1384 L CB -1.186 40.511 42.059 -0.603 0.000 0.908 1384 L HN 0.276 nan 8.230 nan 0.000 0.437 1385 K N -0.515 119.738 120.400 -0.245 0.000 3.150 1385 K HA -0.141 4.159 4.320 -0.032 0.000 0.267 1385 K C -2.125 174.380 176.600 -0.158 0.000 1.028 1385 K CA 0.037 56.214 56.287 -0.183 0.000 0.753 1385 K CB -0.941 31.476 32.500 -0.139 0.000 1.288 1385 K HN 0.261 nan 8.250 nan 0.000 0.473 1386 P HA -0.009 nan 4.420 nan 0.000 0.272 1386 P C 0.511 177.741 177.300 -0.117 0.000 1.223 1386 P CA 0.153 63.183 63.100 -0.116 0.000 0.784 1386 P CB 1.365 32.996 31.700 -0.114 0.000 0.923 1387 S N -0.049 115.596 115.700 -0.091 0.000 2.446 1387 S HA 0.057 4.507 4.470 -0.032 0.000 0.225 1387 S C 0.792 175.323 174.600 -0.115 0.000 1.016 1387 S CA 0.551 58.682 58.200 -0.115 0.000 0.943 1387 S CB -0.345 62.765 63.200 -0.150 0.000 0.786 1387 S HN 0.521 nan 8.310 nan 0.000 0.508 1388 T N 1.662 116.151 114.554 -0.108 0.000 2.893 1388 T HA 0.685 5.016 4.350 -0.032 0.000 0.293 1388 T C -1.599 173.009 174.700 -0.152 0.000 1.027 1388 T CA -0.422 61.592 62.100 -0.143 0.000 0.988 1388 T CB 1.756 70.519 68.868 -0.175 0.000 1.043 1388 T HN 0.120 nan 8.240 nan 0.000 0.461 1389 I N 3.207 123.694 120.570 -0.139 0.000 2.465 1389 I HA 0.596 4.747 4.170 -0.032 0.000 0.291 1389 I C -1.137 175.019 176.117 0.065 0.000 1.014 1389 I CA -0.828 60.435 61.300 -0.062 0.000 1.093 1389 I CB 1.493 39.371 38.000 -0.203 0.000 1.267 1389 I HN 0.574 nan 8.210 nan 0.000 0.431 1390 I N 6.258 126.897 120.570 0.115 0.000 2.468 1390 I HA 0.422 4.573 4.170 -0.032 0.000 0.284 1390 I C 0.259 176.591 176.117 0.359 0.000 1.038 1390 I CA -0.558 60.851 61.300 0.182 0.000 1.083 1390 I CB 1.870 39.716 38.000 -0.256 0.000 1.223 1390 I HN 0.669 nan 8.210 nan 0.000 0.443 1391 G N 5.166 114.147 108.800 0.302 0.000 2.356 1391 G HA2 0.461 4.401 3.960 -0.032 0.000 0.300 1391 G HA3 0.461 4.401 3.960 -0.032 0.000 0.300 1391 G C -0.156 174.728 174.900 -0.028 0.000 1.107 1391 G CA -0.081 44.934 45.100 -0.142 0.000 0.960 1391 G HN 0.431 nan 8.290 nan 0.000 0.418 1392 V N 2.472 122.414 119.914 0.046 0.000 2.864 1392 V HA 0.284 4.384 4.120 -0.032 0.000 0.378 1392 V C 1.070 177.186 176.094 0.035 0.000 1.346 1392 V CA 0.356 62.701 62.300 0.075 0.000 1.328 1392 V CB 0.392 32.328 31.823 0.189 0.000 1.361 1392 V HN 0.864 nan 8.190 nan 0.000 0.641 1393 A N -0.027 122.772 122.820 -0.036 0.000 2.085 1393 A HA 0.541 4.842 4.320 -0.032 0.000 0.208 1393 A C 1.747 179.304 177.584 -0.044 0.000 1.191 1393 A CA 0.691 52.706 52.037 -0.036 0.000 0.799 1393 A CB -0.032 18.924 19.000 -0.073 0.000 0.877 1393 A HN 1.538 nan 8.150 nan 0.000 0.473 1394 G N -0.835 107.928 108.800 -0.062 0.000 2.359 1394 G HA2 0.157 4.098 3.960 -0.032 0.000 0.298 1394 G HA3 0.157 4.098 3.960 -0.032 0.000 0.298 1394 G C 0.374 175.244 174.900 -0.050 0.000 1.030 1394 G CA 0.396 45.466 45.100 -0.050 0.000 1.149 1394 G HN 1.738 nan 8.290 nan 0.000 0.512 1395 A N -0.276 122.505 122.820 -0.065 0.000 2.958 1395 A HA 0.823 5.124 4.320 -0.032 0.000 0.214 1395 A C 1.475 179.027 177.584 -0.053 0.000 0.902 1395 A CA 1.294 53.299 52.037 -0.053 0.000 1.136 1395 A CB -0.003 18.966 19.000 -0.051 0.000 1.250 1395 A HN 2.679 nan 8.150 nan 0.000 0.497 1396 G N 0.442 109.211 108.800 -0.052 0.000 2.698 1396 G HA2 -0.121 3.819 3.960 -0.032 0.000 0.225 1396 G HA3 -0.121 3.819 3.960 -0.032 0.000 0.225 1396 G C -0.432 174.431 174.900 -0.060 0.000 1.345 1396 G CA -0.760 44.316 45.100 -0.040 0.000 0.871 1396 G HN 0.708 nan 8.290 nan 0.000 0.540 1397 R N 0.380 120.861 120.500 -0.030 0.000 2.878 1397 R HA 0.237 4.558 4.340 -0.032 0.000 0.239 1397 R C 1.001 177.294 176.300 -0.012 0.000 1.515 1397 R CA -0.148 55.937 56.100 -0.024 0.000 1.210 1397 R CB -0.362 29.942 30.300 0.008 0.000 1.209 1397 R HN 0.409 nan 8.270 nan 0.000 0.610 1398 L N 0.751 121.936 121.223 -0.063 0.000 2.592 1398 L HA 0.201 4.522 4.340 -0.032 0.000 0.227 1398 L C 0.672 177.634 176.870 0.154 0.000 1.127 1398 L CA 0.451 55.283 54.840 -0.013 0.000 0.884 1398 L CB 0.101 42.098 42.059 -0.103 0.000 1.065 1398 L HN 0.412 nan 8.230 nan 0.000 0.457 1399 F N 0.987 120.910 119.950 -0.045 0.000 2.508 1399 F HA 0.118 4.626 4.527 -0.032 0.000 0.329 1399 F C 1.301 177.102 175.800 0.001 0.000 1.198 1399 F CA -1.028 56.971 58.000 -0.002 0.000 1.268 1399 F CB 0.260 39.268 39.000 0.014 0.000 1.584 1399 F HN 0.046 nan 8.300 nan 0.000 0.570 1400 T N -1.190 113.470 114.554 0.177 0.000 2.855 1400 T HA -0.006 4.325 4.350 -0.032 0.000 0.322 1400 T C -1.667 173.061 174.700 0.046 0.000 1.088 1400 T CA -1.210 60.941 62.100 0.086 0.000 1.104 1400 T CB 1.044 69.951 68.868 0.065 0.000 0.996 1400 T HN 0.125 nan 8.240 nan 0.000 0.549 1401 P HA -0.040 nan 4.420 nan 0.000 0.219 1401 P C 0.793 178.082 177.300 -0.017 0.000 1.146 1401 P CA 0.952 64.045 63.100 -0.011 0.000 0.808 1401 P CB 0.000 31.691 31.700 -0.015 0.000 0.779 1402 D N -1.271 119.125 120.400 -0.006 0.000 2.123 1402 D HA -0.091 4.530 4.640 -0.032 0.000 0.200 1402 D C 2.022 178.305 176.300 -0.029 0.000 0.976 1402 D CA 0.821 54.811 54.000 -0.016 0.000 0.831 1402 D CB -0.921 39.876 40.800 -0.006 0.000 0.974 1402 D HN -0.054 nan 8.370 nan 0.000 0.469 1403 V N 1.046 120.955 119.914 -0.008 0.000 2.358 1403 V HA -0.185 3.915 4.120 -0.032 0.000 0.246 1403 V C 2.380 178.421 176.094 -0.088 0.000 1.047 1403 V CA 1.044 63.327 62.300 -0.029 0.000 1.035 1403 V CB -0.290 31.573 31.823 0.068 0.000 0.658 1403 V HN 0.209 nan 8.190 nan 0.000 0.452 1404 I N 0.761 121.290 120.570 -0.069 0.000 2.090 1404 I HA -0.293 3.857 4.170 -0.032 0.000 0.236 1404 I C 2.784 178.847 176.117 -0.089 0.000 1.064 1404 I CA 2.331 63.575 61.300 -0.094 0.000 1.324 1404 I CB -0.766 37.191 38.000 -0.072 0.000 1.044 1404 I HN 0.379 nan 8.210 nan 0.000 0.399 1405 R N 2.028 122.487 120.500 -0.069 0.000 2.200 1405 R HA -0.014 4.307 4.340 -0.032 0.000 0.234 1405 R C 1.266 177.524 176.300 -0.070 0.000 1.127 1405 R CA 0.986 57.048 56.100 -0.063 0.000 0.989 1405 R CB -0.532 29.739 30.300 -0.049 0.000 0.869 1405 R HN 0.298 nan 8.270 nan 0.000 0.459 1409 S N 0.137 115.800 115.700 -0.062 0.000 2.421 1409 S HA 0.126 4.576 4.470 -0.032 0.000 0.224 1409 S C 1.792 176.356 174.600 -0.060 0.000 1.035 1409 S CA 1.229 59.395 58.200 -0.055 0.000 0.953 1409 S CB -0.441 62.726 63.200 -0.055 0.000 0.810 1409 S HN 0.427 nan 8.310 nan 0.000 0.497 1410 I N 1.968 122.494 120.570 -0.074 0.000 2.406 1410 I HA 0.063 4.214 4.170 -0.032 0.000 0.249 1410 I C 0.244 176.316 176.117 -0.075 0.000 1.122 1410 I CA 0.483 61.735 61.300 -0.080 0.000 1.431 1410 I CB -0.148 37.792 38.000 -0.100 0.000 1.087 1410 I HN 0.346 nan 8.210 nan 0.000 0.424 1411 N N 0.513 119.168 118.700 -0.075 0.000 2.240 1411 N HA 0.091 4.811 4.740 -0.032 0.000 0.302 1411 N C 0.435 175.913 175.510 -0.054 0.000 1.106 1411 N CA -0.327 52.681 53.050 -0.070 0.000 0.778 1411 N CB 2.241 40.678 38.487 -0.085 0.000 1.431 1411 N HN -0.112 nan 8.380 nan 0.000 0.479 1412 E N 1.525 121.697 120.200 -0.046 0.000 2.077 1412 E HA -0.113 4.217 4.350 -0.032 0.000 0.193 1412 E C -0.270 176.317 176.600 -0.021 0.000 0.989 1412 E CA 1.659 58.041 56.400 -0.030 0.000 0.800 1412 E CB 0.341 30.027 29.700 -0.024 0.000 0.746 1412 E HN 0.403 nan 8.360 nan 0.000 0.452 1413 R N 1.283 121.767 120.500 -0.026 0.000 2.513 1413 R HA 0.311 4.631 4.340 -0.032 0.000 0.283 1413 R C -2.464 173.823 176.300 -0.021 0.000 1.535 1413 R CA -1.884 54.211 56.100 -0.009 0.000 1.315 1413 R CB 1.126 31.430 30.300 0.007 0.000 1.163 1413 R HN 0.159 nan 8.270 nan 0.000 0.573 1414 P HA 0.056 nan 4.420 nan 0.000 0.271 1414 P C 0.006 177.305 177.300 -0.002 0.000 1.220 1414 P CA -0.164 62.913 63.100 -0.039 0.000 0.768 1414 P CB 1.211 32.878 31.700 -0.055 0.000 0.848 1415 V N 6.141 126.039 119.914 -0.027 0.000 2.333 1415 V HA 0.281 4.382 4.120 -0.032 0.000 0.274 1415 V C 0.565 176.678 176.094 0.031 0.000 1.028 1415 V CA -0.298 62.001 62.300 -0.003 0.000 0.851 1415 V CB 0.443 32.190 31.823 -0.127 0.000 1.000 1415 V HN 0.401 nan 8.190 nan 0.000 0.456 1416 I N 5.890 126.598 120.570 0.229 0.000 2.389 1416 I HA 0.468 4.619 4.170 -0.032 0.000 0.288 1416 I C -1.100 175.410 176.117 0.655 0.000 0.999 1416 I CA -0.297 61.200 61.300 0.327 0.000 1.129 1416 I CB 1.648 39.812 38.000 0.274 0.000 1.288 1416 I HN 0.354 nan 8.210 nan 0.000 0.444 1417 F N 5.059 125.122 119.950 0.188 0.000 2.434 1417 F HA 0.544 5.052 4.527 -0.032 0.000 0.355 1417 F C 0.312 176.231 175.800 0.199 0.000 1.115 1417 F CA -1.291 56.760 58.000 0.085 0.000 1.010 1417 F CB 1.853 40.882 39.000 0.048 0.000 1.234 1417 F HN 0.402 nan 8.300 nan 0.000 0.439 1418 A N 4.706 127.601 122.820 0.126 0.000 2.412 1418 A HA 0.564 4.865 4.320 -0.032 0.000 0.334 1418 A C 0.154 177.720 177.584 -0.030 0.000 1.419 1418 A CA -0.241 51.813 52.037 0.028 0.000 0.930 1418 A CB 0.028 19.125 19.000 0.162 0.000 1.149 1418 A HN 0.594 nan 8.150 nan 0.000 0.515 1419 L N 1.234 122.446 121.223 -0.018 0.000 2.554 1419 L HA 0.162 4.482 4.340 -0.032 0.000 0.225 1419 L C 1.182 178.044 176.870 -0.013 0.000 1.104 1419 L CA 0.676 55.511 54.840 -0.008 0.000 0.866 1419 L CB -0.930 41.163 42.059 0.056 0.000 1.047 1419 L HN 0.504 nan 8.230 nan 0.000 0.468 1420 S N 1.639 117.316 115.700 -0.038 0.000 2.525 1420 S HA 0.141 4.591 4.470 -0.032 0.000 0.285 1420 S C 0.442 175.025 174.600 -0.028 0.000 1.283 1420 S CA -0.027 58.150 58.200 -0.039 0.000 1.072 1420 S CB 0.046 63.202 63.200 -0.073 0.000 0.867 1420 S HN 0.309 nan 8.310 nan 0.000 0.492 1421 N N 3.431 122.112 118.700 -0.032 0.000 2.362 1421 N HA 0.514 5.235 4.740 -0.032 0.000 0.299 1421 N C -2.657 172.828 175.510 -0.043 0.000 1.170 1421 N CA -1.382 51.642 53.050 -0.043 0.000 0.825 1421 N CB 1.147 39.600 38.487 -0.056 0.000 1.299 1421 N HN 0.313 nan 8.380 nan 0.000 0.502 1422 P HA 0.141 nan 4.420 nan 0.000 0.275 1422 P C 0.670 177.942 177.300 -0.047 0.000 1.266 1422 P CA -0.111 62.954 63.100 -0.059 0.000 0.793 1422 P CB 0.257 31.923 31.700 -0.057 0.000 1.074 1423 T N -0.110 114.400 114.554 -0.073 0.000 2.653 1423 T HA -0.307 4.024 4.350 -0.032 0.000 0.267 1423 T C 1.859 176.580 174.700 0.036 0.000 1.037 1423 T CA 2.292 64.367 62.100 -0.042 0.000 1.159 1423 T CB -1.372 67.434 68.868 -0.102 0.000 0.859 1423 T HN 0.573 nan 8.240 nan 0.000 0.449 1424 A N 0.712 123.538 122.820 0.011 0.000 2.076 1424 A HA -0.157 4.144 4.320 -0.032 0.000 0.220 1424 A C 2.305 179.895 177.584 0.011 0.000 1.160 1424 A CA 1.654 53.702 52.037 0.018 0.000 0.653 1424 A CB -0.576 18.426 19.000 0.003 0.000 0.801 1424 A HN 0.405 nan 8.150 nan 0.000 0.455 1425 Q N -0.839 118.960 119.800 -0.001 0.000 2.402 1425 Q HA 0.434 4.755 4.340 -0.032 0.000 0.206 1425 Q C 1.059 177.043 176.000 -0.026 0.000 0.919 1425 Q CA 0.573 56.365 55.803 -0.018 0.000 0.923 1425 Q CB -0.400 28.321 28.738 -0.029 0.000 1.048 1425 Q HN 0.625 nan 8.270 nan 0.000 0.515 1426 A N 0.586 123.414 122.820 0.014 0.000 2.567 1426 A HA -0.091 4.210 4.320 -0.032 0.000 0.236 1426 A C 0.814 178.363 177.584 -0.058 0.000 1.088 1426 A CA 0.354 52.405 52.037 0.024 0.000 0.776 1426 A CB 0.236 19.356 19.000 0.200 0.000 1.033 1426 A HN 0.238 nan 8.150 nan 0.000 0.513 1427 E N -1.210 118.883 120.200 -0.179 0.000 2.371 1427 E HA 0.173 4.504 4.350 -0.032 0.000 0.194 1427 E C 0.399 176.953 176.600 -0.077 0.000 1.012 1427 E CA 1.240 57.429 56.400 -0.352 0.000 0.860 1427 E CB -0.051 28.919 29.700 -1.216 0.000 0.811 1427 E HN 0.966 nan 8.360 nan 0.000 0.502 1428 C N -3.875 115.440 119.300 0.025 0.000 3.176 1428 C HA 0.524 4.965 4.460 -0.032 0.000 0.343 1428 C C 0.022 174.952 174.990 -0.100 0.000 1.332 1428 C CA -0.870 58.156 59.018 0.013 0.000 1.200 1428 C CB 0.974 28.753 27.740 0.065 0.000 1.440 1428 C HN 0.087 nan 8.230 nan 0.000 0.458 1429 T N 0.016 114.372 114.554 -0.330 0.000 2.862 1429 T HA 0.614 4.945 4.350 -0.032 0.000 0.276 1429 T C 1.315 175.318 174.700 -1.161 0.000 0.974 1429 T CA 0.625 62.212 62.100 -0.854 0.000 0.966 1429 T CB 1.182 69.758 68.868 -0.487 0.000 1.072 1429 T HN 1.895 nan 8.240 nan 0.000 0.538 1430 A N 0.890 122.841 122.820 -1.449 0.000 1.897 1430 A HA 0.037 4.337 4.320 -0.032 0.000 0.215 1430 A C 2.147 179.240 177.584 -0.819 0.000 1.181 1430 A CA 1.159 52.395 52.037 -1.334 0.000 0.620 1430 A CB -0.639 18.086 19.000 -0.459 0.000 0.821 1430 A HN 0.911 nan 8.150 nan 0.000 0.443 1431 E N 0.235 120.191 120.200 -0.408 0.000 2.058 1431 E HA -0.241 4.089 4.350 -0.032 0.000 0.194 1431 E C 1.882 178.345 176.600 -0.229 0.000 0.997 1431 E CA 1.503 57.803 56.400 -0.167 0.000 0.801 1431 E CB -0.339 29.310 29.700 -0.084 0.000 0.746 1431 E HN 0.757 nan 8.360 nan 0.000 0.450 1432 E N 0.876 120.890 120.200 -0.310 0.000 2.049 1432 E HA -0.209 4.122 4.350 -0.032 0.000 0.198 1432 E C 2.120 178.544 176.600 -0.294 0.000 1.007 1432 E CA 1.270 57.522 56.400 -0.247 0.000 0.809 1432 E CB -0.177 29.387 29.700 -0.226 0.000 0.749 1432 E HN 0.240 nan 8.360 nan 0.000 0.450 1433 A N 0.592 123.102 122.820 -0.516 0.000 1.851 1433 A HA -0.227 4.074 4.320 -0.032 0.000 0.216 1433 A C 1.994 179.328 177.584 -0.415 0.000 1.195 1433 A CA 1.606 53.316 52.037 -0.546 0.000 0.622 1433 A CB -1.160 17.229 19.000 -1.019 0.000 0.831 1433 A HN 0.346 nan 8.150 nan 0.000 0.444 1434 Y N 0.745 120.805 120.300 -0.400 0.000 2.070 1434 Y HA -0.267 4.263 4.550 -0.032 0.000 0.280 1434 Y C 3.314 179.056 175.900 -0.264 0.000 1.148 1434 Y CA 1.854 59.722 58.100 -0.387 0.000 1.125 1434 Y CB -0.798 37.413 38.460 -0.416 0.000 0.975 1434 Y HN 0.543 nan 8.280 nan 0.000 0.492 1435 T N -0.587 113.957 114.554 -0.016 0.000 2.652 1435 T HA -0.244 4.086 4.350 -0.032 0.000 0.267 1435 T C 1.705 176.377 174.700 -0.046 0.000 1.039 1435 T CA 1.491 63.577 62.100 -0.024 0.000 1.153 1435 T CB -1.005 67.849 68.868 -0.023 0.000 0.863 1435 T HN 0.321 nan 8.240 nan 0.000 0.428 1436 L N 2.181 123.360 121.223 -0.073 0.000 2.651 1436 L HA 0.011 4.331 4.340 -0.032 0.000 0.236 1436 L C 2.274 179.103 176.870 -0.067 0.000 1.173 1436 L CA 1.414 56.212 54.840 -0.069 0.000 0.843 1436 L CB -0.813 41.195 42.059 -0.084 0.000 0.964 1436 L HN 0.672 nan 8.230 nan 0.000 0.454 1437 T N -5.984 108.529 114.554 -0.070 0.000 3.209 1437 T HA 0.116 4.447 4.350 -0.032 0.000 0.295 1437 T C 0.575 175.247 174.700 -0.046 0.000 0.977 1437 T CA -0.417 61.647 62.100 -0.061 0.000 0.922 1437 T CB 0.330 69.155 68.868 -0.072 0.000 1.152 1437 T HN 0.201 nan 8.240 nan 0.000 0.527 1438 E N 1.011 121.189 120.200 -0.037 0.000 2.660 1438 E HA -0.245 4.085 4.350 -0.032 0.000 0.260 1438 E C 1.039 177.626 176.600 -0.020 0.000 1.122 1438 E CA 1.002 57.395 56.400 -0.013 0.000 0.755 1438 E CB -2.070 27.631 29.700 0.001 0.000 1.345 1438 E HN 1.342 nan 8.360 nan 0.000 0.421 1439 G N 0.176 108.901 108.800 -0.125 0.000 2.182 1439 G HA2 -0.364 3.576 3.960 -0.032 0.000 0.248 1439 G HA3 -0.364 3.576 3.960 -0.032 0.000 0.248 1439 G C 0.605 175.411 174.900 -0.157 0.000 1.042 1439 G CA 0.514 45.383 45.100 -0.385 0.000 0.775 1439 G HN 0.367 nan 8.290 nan 0.000 0.501 1440 R N -0.787 119.676 120.500 -0.062 0.000 2.437 1440 R HA 0.256 4.577 4.340 -0.032 0.000 0.257 1440 R C 1.564 177.873 176.300 0.014 0.000 0.927 1440 R CA 0.487 56.588 56.100 0.003 0.000 1.078 1440 R CB 0.140 30.441 30.300 0.002 0.000 1.161 1440 R HN 0.746 nan 8.270 nan 0.000 0.529 1441 C N -0.484 118.823 119.300 0.011 0.000 2.364 1441 C HA 0.598 5.039 4.460 -0.032 0.000 0.356 1441 C C 0.330 175.408 174.990 0.146 0.000 1.201 1441 C CA -1.253 57.794 59.018 0.048 0.000 2.227 1441 C CB 0.269 28.007 27.740 -0.003 0.000 2.387 1441 C HN 0.188 nan 8.230 nan 0.000 0.546 1442 L N 2.871 124.196 121.223 0.171 0.000 2.277 1442 L HA 0.486 4.807 4.340 -0.032 0.000 0.284 1442 L C -0.374 176.707 176.870 0.351 0.000 1.028 1442 L CA -0.044 54.946 54.840 0.251 0.000 0.835 1442 L CB 0.554 42.726 42.059 0.188 0.000 1.215 1442 L HN 0.775 nan 8.230 nan 0.000 0.425 1443 F N 3.644 123.682 119.950 0.146 0.000 2.507 1443 F HA 0.852 5.360 4.527 -0.032 0.000 0.327 1443 F C -0.354 175.442 175.800 -0.006 0.000 1.068 1443 F CA -0.543 57.477 58.000 0.033 0.000 0.965 1443 F CB 1.766 40.560 39.000 -0.345 0.000 1.192 1443 F HN 0.418 nan 8.300 nan 0.000 0.476 1444 A N 2.605 124.626 122.820 -1.332 0.000 2.594 1444 A HA 0.697 4.998 4.320 -0.032 0.000 0.296 1444 A C -1.464 175.317 177.584 -1.339 0.000 1.061 1444 A CA -0.123 51.220 52.037 -1.156 0.000 0.689 1444 A CB 1.132 19.421 19.000 -1.185 0.000 1.280 1444 A HN 1.258 nan 8.150 nan 0.000 0.406 1445 S N -0.243 115.049 115.700 -0.680 0.000 2.618 1445 S HA 0.717 5.168 4.470 -0.032 0.000 0.277 1445 S C 0.787 175.294 174.600 -0.154 0.000 1.138 1445 S CA -0.037 57.972 58.200 -0.319 0.000 0.844 1445 S CB 1.306 64.579 63.200 0.121 0.000 1.127 1445 S HN 1.917 nan 8.310 nan 0.000 0.474 1446 G N 0.427 109.176 108.800 -0.084 0.000 2.464 1446 G HA2 0.224 4.165 3.960 -0.032 0.000 0.217 1446 G HA3 0.224 4.165 3.960 -0.032 0.000 0.217 1446 G C 0.303 175.147 174.900 -0.092 0.000 1.138 1446 G CA 0.163 45.215 45.100 -0.079 0.000 0.793 1446 G HN 0.678 nan 8.290 nan 0.000 0.539 1447 S N 1.319 116.955 115.700 -0.105 0.000 2.565 1447 S HA 0.526 4.977 4.470 -0.032 0.000 0.290 1447 S C -2.516 171.866 174.600 -0.363 0.000 1.150 1447 S CA -1.003 57.057 58.200 -0.234 0.000 1.058 1447 S CB 2.305 65.326 63.200 -0.298 0.000 1.032 1447 S HN 0.054 nan 8.310 nan 0.000 0.510 1448 P HA 0.339 nan 4.420 nan 0.000 0.275 1448 P C -1.246 175.766 177.300 -0.480 0.000 1.227 1448 P CA -0.059 62.886 63.100 -0.257 0.000 0.781 1448 P CB 0.173 31.795 31.700 -0.130 0.000 0.906 1449 F N 0.522 120.541 119.950 0.116 0.000 2.569 1449 F HA 0.472 4.980 4.527 -0.032 0.000 0.312 1449 F C 1.124 177.010 175.800 0.143 0.000 1.109 1449 F CA -0.655 57.425 58.000 0.135 0.000 0.919 1449 F CB 2.136 41.250 39.000 0.191 0.000 1.211 1449 F HN 0.311 nan 8.300 nan 0.000 0.446 1450 G N 1.737 110.722 108.800 0.308 0.000 2.616 1450 G HA2 0.483 4.423 3.960 -0.032 0.000 0.268 1450 G HA3 0.483 4.423 3.960 -0.032 0.000 0.268 1450 G C -2.809 172.235 174.900 0.239 0.000 1.213 1450 G CA -1.434 43.797 45.100 0.219 0.000 0.926 1450 G HN 0.292 nan 8.290 nan 0.000 0.523 1451 P HA 0.183 nan 4.420 nan 0.000 0.267 1451 P C -0.353 177.043 177.300 0.161 0.000 1.205 1451 P CA -0.278 62.925 63.100 0.172 0.000 0.765 1451 P CB 1.041 32.804 31.700 0.106 0.000 0.828 1452 V N 5.058 125.086 119.914 0.191 0.000 2.320 1452 V HA 0.141 4.242 4.120 -0.032 0.000 0.265 1452 V C 0.759 176.928 176.094 0.125 0.000 1.048 1452 V CA -0.328 62.076 62.300 0.173 0.000 0.865 1452 V CB 0.232 32.226 31.823 0.284 0.000 1.043 1452 V HN 0.426 nan 8.190 nan 0.000 0.474 1453 K N 6.048 126.497 120.400 0.082 0.000 2.263 1453 K HA 0.364 4.664 4.320 -0.032 0.000 0.282 1453 K C -0.367 176.270 176.600 0.061 0.000 1.089 1453 K CA -0.355 55.960 56.287 0.047 0.000 0.907 1453 K CB 0.617 33.130 32.500 0.022 0.000 1.148 1453 K HN 0.498 nan 8.250 nan 0.000 0.470 1454 L N 1.661 122.936 121.223 0.087 0.000 2.475 1454 L HA 0.165 4.486 4.340 -0.032 0.000 0.212 1454 L C 2.241 179.138 176.870 0.045 0.000 1.204 1454 L CA -0.188 54.699 54.840 0.078 0.000 0.843 1454 L CB -0.541 41.587 42.059 0.116 0.000 1.360 1454 L HN 0.510 nan 8.230 nan 0.000 0.527 1455 T N -0.669 113.908 114.554 0.039 0.000 2.777 1455 T HA -0.150 4.180 4.350 -0.032 0.000 0.266 1455 T C 1.195 175.906 174.700 0.018 0.000 1.040 1455 T CA 1.647 63.762 62.100 0.024 0.000 1.141 1455 T CB -0.518 68.363 68.868 0.020 0.000 0.868 1455 T HN 0.871 nan 8.240 nan 0.000 0.444 1456 D N -0.292 120.122 120.400 0.024 0.000 2.392 1456 D HA 0.206 4.827 4.640 -0.032 0.000 0.228 1456 D C 1.537 177.837 176.300 -0.001 0.000 1.003 1456 D CA 0.949 54.958 54.000 0.014 0.000 0.917 1456 D CB -0.740 40.074 40.800 0.023 0.000 0.890 1456 D HN 0.593 nan 8.370 nan 0.000 0.532 1457 G N -0.263 108.536 108.800 -0.003 0.000 2.254 1457 G HA2 -0.314 3.627 3.960 -0.032 0.000 0.225 1457 G HA3 -0.314 3.627 3.960 -0.032 0.000 0.225 1457 G C 0.369 175.236 174.900 -0.056 0.000 1.003 1457 G CA -0.298 44.788 45.100 -0.023 0.000 0.622 1457 G HN 0.387 nan 8.290 nan 0.000 0.507 1458 R N 0.311 120.770 120.500 -0.069 0.000 2.585 1458 R HA 0.428 4.749 4.340 -0.032 0.000 0.275 1458 R C 0.029 176.200 176.300 -0.215 0.000 1.018 1458 R CA 0.579 56.561 56.100 -0.197 0.000 1.072 1458 R CB 0.898 31.077 30.300 -0.202 0.000 0.953 1458 R HN 0.218 nan 8.270 nan 0.000 0.419 1459 V N 4.505 124.207 119.914 -0.352 0.000 2.407 1459 V HA 0.358 4.459 4.120 -0.032 0.000 0.291 1459 V C -0.711 175.132 176.094 -0.419 0.000 1.018 1459 V CA -0.728 61.430 62.300 -0.235 0.000 0.842 1459 V CB 1.032 32.780 31.823 -0.125 0.000 0.996 1459 V HN 0.510 nan 8.190 nan 0.000 0.426 1460 F N 2.023 121.833 119.950 -0.234 0.000 2.388 1460 F HA 0.474 4.982 4.527 -0.032 0.000 0.358 1460 F C 0.926 176.668 175.800 -0.097 0.000 1.122 1460 F CA -0.407 57.386 58.000 -0.344 0.000 1.056 1460 F CB 1.792 40.126 39.000 -1.111 0.000 1.155 1460 F HN 0.406 nan 8.300 nan 0.000 0.461 1461 T N 5.364 120.011 114.554 0.154 0.000 2.747 1461 T HA 0.280 4.610 4.350 -0.032 0.000 0.301 1461 T C -2.574 172.322 174.700 0.327 0.000 0.952 1461 T CA -1.604 60.625 62.100 0.214 0.000 0.983 1461 T CB 0.378 69.329 68.868 0.138 0.000 0.930 1461 T HN 0.177 nan 8.240 nan 0.000 0.494 1462 P HA 0.399 nan 4.420 nan 0.000 0.282 1462 P C 0.197 177.705 177.300 0.348 0.000 1.249 1462 P CA -0.298 63.100 63.100 0.497 0.000 0.806 1462 P CB 0.959 33.062 31.700 0.671 0.000 0.984 1463 G N 1.214 110.196 108.800 0.303 0.000 2.412 1463 G HA2 0.393 4.333 3.960 -0.032 0.000 0.318 1463 G HA3 0.393 4.333 3.960 -0.032 0.000 0.318 1463 G C -1.149 173.882 174.900 0.217 0.000 1.146 1463 G CA -0.472 44.824 45.100 0.327 0.000 0.882 1463 G HN 0.547 nan 8.290 nan 0.000 0.501 1464 Q N 0.422 120.278 119.800 0.095 0.000 2.307 1464 Q HA 0.470 4.790 4.340 -0.032 0.000 0.262 1464 Q C 0.205 175.945 176.000 -0.432 0.000 0.961 1464 Q CA -0.831 54.915 55.803 -0.095 0.000 0.882 1464 Q CB 1.421 30.134 28.738 -0.042 0.000 1.264 1464 Q HN 0.578 nan 8.270 nan 0.000 0.446 1465 G N 4.687 113.184 108.800 -0.505 0.000 3.209 1465 G HA2 0.002 3.943 3.960 -0.032 0.000 0.274 1465 G HA3 0.002 3.943 3.960 -0.032 0.000 0.274 1465 G C -0.077 174.690 174.900 -0.221 0.000 0.850 1465 G CA -0.314 44.385 45.100 -0.669 0.000 1.907 1465 G HN 0.583 nan 8.290 nan 0.000 0.591 1466 N N 0.853 119.470 118.700 -0.138 0.000 2.529 1466 N HA 0.060 4.781 4.740 -0.032 0.000 0.278 1466 N C 1.099 176.619 175.510 0.016 0.000 1.146 1466 N CA -0.291 52.712 53.050 -0.078 0.000 0.980 1466 N CB 0.758 39.128 38.487 -0.195 0.000 1.124 1466 N HN 0.363 nan 8.380 nan 0.000 0.458 1467 N N 0.947 119.713 118.700 0.109 0.000 2.364 1467 N HA -0.134 4.586 4.740 -0.032 0.000 0.183 1467 N C 1.579 177.146 175.510 0.096 0.000 1.022 1467 N CA 0.752 53.937 53.050 0.225 0.000 0.883 1467 N CB 0.196 38.913 38.487 0.384 0.000 0.965 1467 N HN 0.458 nan 8.380 nan 0.000 0.438 1468 V N -1.813 118.026 119.914 -0.125 0.000 3.026 1468 V HA -0.189 3.912 4.120 -0.032 0.000 0.265 1468 V C 1.489 177.246 176.094 -0.562 0.000 1.121 1468 V CA 1.167 63.060 62.300 -0.680 0.000 1.142 1468 V CB -1.315 30.270 31.823 -0.396 0.000 0.730 1468 V HN 0.258 nan 8.190 nan 0.000 0.503 1469 Y N -0.125 120.042 120.300 -0.222 0.000 2.293 1469 Y HA -0.024 4.506 4.550 -0.032 0.000 0.291 1469 Y C 2.410 178.234 175.900 -0.127 0.000 1.137 1469 Y CA 1.484 59.504 58.100 -0.133 0.000 1.202 1469 Y CB 0.204 38.636 38.460 -0.047 0.000 0.990 1469 Y HN 0.253 nan 8.280 nan 0.000 0.537 1470 I N -1.186 119.407 120.570 0.038 0.000 2.726 1470 I HA -0.163 3.988 4.170 -0.032 0.000 0.243 1470 I C 2.333 178.462 176.117 0.020 0.000 1.082 1470 I CA 0.817 62.157 61.300 0.067 0.000 1.447 1470 I CB -1.696 36.414 38.000 0.183 0.000 1.250 1470 I HN 0.201 nan 8.210 nan 0.000 0.453 1471 F N 2.796 122.814 119.950 0.112 0.000 2.147 1471 F HA -0.091 4.416 4.527 -0.033 0.000 0.301 1471 F C -0.749 174.978 175.800 -0.122 0.000 1.084 1471 F CA 1.166 59.223 58.000 0.095 0.000 1.268 1471 F CB -3.029 36.122 39.000 0.251 0.000 1.009 1471 F HN 0.103 nan 8.300 nan 0.000 0.486 1472 P HA 0.024 nan 4.420 nan 0.000 0.215 1472 P C 2.107 179.295 177.300 -0.185 0.000 1.157 1472 P CA 2.203 65.135 63.100 -0.280 0.000 0.859 1472 P CB -0.520 30.992 31.700 -0.313 0.000 0.786 1473 G N -0.366 108.355 108.800 -0.131 0.000 2.443 1473 G HA2 -0.156 3.785 3.960 -0.032 0.000 0.219 1473 G HA3 -0.156 3.785 3.960 -0.032 0.000 0.219 1473 G C 1.600 176.460 174.900 -0.067 0.000 1.131 1473 G CA 0.404 45.459 45.100 -0.075 0.000 0.775 1473 G HN 0.167 nan 8.290 nan 0.000 0.547 1474 V N 1.126 120.998 119.914 -0.070 0.000 2.407 1474 V HA -0.018 4.083 4.120 -0.032 0.000 0.245 1474 V C 3.238 179.287 176.094 -0.076 0.000 1.041 1474 V CA 1.779 64.017 62.300 -0.104 0.000 1.040 1474 V CB -0.412 31.326 31.823 -0.142 0.000 0.671 1474 V HN 0.445 nan 8.190 nan 0.000 0.455 1475 A N -0.106 122.684 122.820 -0.050 0.000 1.877 1475 A HA -0.204 4.096 4.320 -0.032 0.000 0.216 1475 A C 2.158 179.733 177.584 -0.014 0.000 1.186 1475 A CA 2.125 54.158 52.037 -0.007 0.000 0.620 1475 A CB -0.626 18.230 19.000 -0.240 0.000 0.822 1475 A HN 0.437 nan 8.150 nan 0.000 0.443 1476 L N -0.183 121.007 121.223 -0.055 0.000 2.012 1476 L HA -0.108 4.213 4.340 -0.032 0.000 0.210 1476 L C 2.742 179.607 176.870 -0.008 0.000 1.073 1476 L CA 2.322 57.146 54.840 -0.026 0.000 0.748 1476 L CB -0.743 41.295 42.059 -0.035 0.000 0.891 1476 L HN 0.361 nan 8.230 nan 0.000 0.431 1477 A N -1.180 121.630 122.820 -0.016 0.000 1.908 1477 A HA -0.191 4.110 4.320 -0.032 0.000 0.218 1477 A C 2.275 179.844 177.584 -0.025 0.000 1.181 1477 A CA 2.208 54.239 52.037 -0.009 0.000 0.627 1477 A CB -1.206 17.779 19.000 -0.024 0.000 0.818 1477 A HN 0.332 nan 8.150 nan 0.000 0.445 1478 V N -0.186 119.714 119.914 -0.024 0.000 2.407 1478 V HA -0.246 3.854 4.120 -0.032 0.000 0.248 1478 V C 2.398 178.500 176.094 0.013 0.000 1.055 1478 V CA 1.991 64.284 62.300 -0.011 0.000 1.049 1478 V CB -0.592 31.246 31.823 0.024 0.000 0.662 1478 V HN 0.569 nan 8.190 nan 0.000 0.455 1479 I N -0.505 120.083 120.570 0.029 0.000 2.202 1479 I HA -0.211 3.940 4.170 -0.032 0.000 0.242 1479 I C 2.147 178.286 176.117 0.036 0.000 1.091 1479 I CA 1.486 62.807 61.300 0.035 0.000 1.368 1479 I CB -0.189 37.830 38.000 0.032 0.000 1.058 1479 I HN 0.227 nan 8.210 nan 0.000 0.410 1480 L N -0.489 120.759 121.223 0.041 0.000 2.362 1480 L HA -0.170 4.151 4.340 -0.032 0.000 0.219 1480 L C 1.752 178.708 176.870 0.144 0.000 1.134 1480 L CA 0.561 55.462 54.840 0.102 0.000 0.807 1480 L CB -0.470 41.663 42.059 0.123 0.000 0.927 1480 L HN 0.396 nan 8.230 nan 0.000 0.447 1481 C N -0.040 119.254 119.300 -0.009 0.000 2.855 1481 C HA 0.190 4.630 4.460 -0.032 0.000 0.279 1481 C C 1.049 175.974 174.990 -0.108 0.000 1.270 1481 C CA -0.733 58.161 59.018 -0.207 0.000 1.702 1481 C CB -1.303 26.181 27.740 -0.427 0.000 1.949 1481 C HN 0.579 nan 8.230 nan 0.000 0.618 1482 N N 1.430 120.138 118.700 0.014 0.000 2.710 1482 N HA -0.142 4.579 4.740 -0.032 0.000 0.249 1482 N C -0.057 175.534 175.510 0.134 0.000 1.059 1482 N CA 1.267 54.363 53.050 0.076 0.000 0.720 1482 N CB -1.285 37.270 38.487 0.112 0.000 0.983 1482 N HN 0.506 nan 8.380 nan 0.000 0.544 1483 T N 0.465 115.067 114.554 0.079 0.000 2.916 1483 T HA 0.132 4.462 4.350 -0.032 0.000 0.303 1483 T C 1.723 176.469 174.700 0.077 0.000 1.025 1483 T CA -0.195 61.978 62.100 0.122 0.000 1.142 1483 T CB 0.809 69.690 68.868 0.022 0.000 0.947 1483 T HN 0.349 nan 8.240 nan 0.000 0.544 1484 R N 1.651 122.175 120.500 0.040 0.000 2.397 1484 R HA 0.216 4.536 4.340 -0.032 0.000 0.241 1484 R C -0.215 175.800 176.300 -0.475 0.000 0.914 1484 R CA -0.183 55.766 56.100 -0.252 0.000 1.071 1484 R CB 0.402 30.423 30.300 -0.464 0.000 1.116 1484 R HN 0.511 nan 8.270 nan 0.000 0.524 1485 H N 0.570 119.725 119.070 0.141 0.000 2.954 1485 H HA 0.381 4.918 4.556 -0.032 0.000 0.361 1485 H C -1.160 174.236 175.328 0.114 0.000 1.122 1485 H CA -1.028 55.099 56.048 0.130 0.000 1.217 1485 H CB 2.016 31.848 29.762 0.116 0.000 1.776 1485 H HN -0.046 nan 8.280 nan 0.000 0.533 1486 I N 2.436 123.158 120.570 0.254 0.000 2.355 1486 I HA 0.163 4.314 4.170 -0.032 0.000 0.288 1486 I C 0.659 176.869 176.117 0.154 0.000 0.999 1486 I CA -0.420 60.966 61.300 0.143 0.000 1.163 1486 I CB 1.257 39.330 38.000 0.120 0.000 1.316 1486 I HN 0.469 nan 8.210 nan 0.000 0.454 1487 S N 2.728 118.491 115.700 0.106 0.000 2.646 1487 S HA 0.282 4.733 4.470 -0.032 0.000 0.276 1487 S C 0.613 175.289 174.600 0.126 0.000 1.222 1487 S CA -0.666 57.611 58.200 0.129 0.000 1.014 1487 S CB 1.565 64.841 63.200 0.126 0.000 0.991 1487 S HN 0.544 nan 8.310 nan 0.000 0.533 1488 D N 1.572 122.089 120.400 0.196 0.000 2.182 1488 D HA -0.069 4.552 4.640 -0.032 0.000 0.201 1488 D C 2.017 178.417 176.300 0.166 0.000 0.986 1488 D CA 1.592 55.760 54.000 0.280 0.000 0.847 1488 D CB -0.587 40.350 40.800 0.229 0.000 0.942 1488 D HN 0.662 nan 8.370 nan 0.000 0.467 1489 S N -0.123 115.634 115.700 0.095 0.000 2.440 1489 S HA -0.124 4.326 4.470 -0.032 0.000 0.240 1489 S C 2.205 176.693 174.600 -0.186 0.000 1.014 1489 S CA 0.459 58.671 58.200 0.020 0.000 0.980 1489 S CB -0.291 62.994 63.200 0.141 0.000 0.775 1489 S HN 0.126 nan 8.310 nan 0.000 0.499 1490 V N 0.738 120.534 119.914 -0.197 0.000 2.548 1490 V HA -0.064 4.037 4.120 -0.032 0.000 0.249 1490 V C 1.792 177.588 176.094 -0.496 0.000 1.055 1490 V CA 1.407 63.456 62.300 -0.418 0.000 1.065 1490 V CB -0.802 30.756 31.823 -0.442 0.000 0.681 1490 V HN 0.478 nan 8.190 nan 0.000 0.462 1491 F N -1.086 118.798 119.950 -0.110 0.000 2.293 1491 F HA -0.066 4.442 4.527 -0.033 0.000 0.297 1491 F C 2.081 177.837 175.800 -0.075 0.000 1.089 1491 F CA 0.864 58.811 58.000 -0.087 0.000 1.377 1491 F CB -0.291 38.679 39.000 -0.049 0.000 1.051 1491 F HN 0.125 nan 8.300 nan 0.000 0.511 1492 L N 0.770 122.029 121.223 0.061 0.000 2.017 1492 L HA -0.192 4.128 4.340 -0.032 0.000 0.208 1492 L C 2.357 179.179 176.870 -0.080 0.000 1.073 1492 L CA 1.863 56.708 54.840 0.009 0.000 0.745 1492 L CB -0.920 41.132 42.059 -0.013 0.000 0.894 1492 L HN 0.048 nan 8.230 nan 0.000 0.432 1493 E N -0.093 119.970 120.200 -0.227 0.000 2.077 1493 E HA -0.178 4.152 4.350 -0.032 0.000 0.193 1493 E C 2.080 178.579 176.600 -0.167 0.000 0.989 1493 E CA 1.598 57.813 56.400 -0.308 0.000 0.800 1493 E CB -0.399 28.887 29.700 -0.690 0.000 0.746 1493 E HN 0.515 nan 8.360 nan 0.000 0.452 1494 A N 0.928 123.670 122.820 -0.130 0.000 1.877 1494 A HA -0.026 4.275 4.320 -0.032 0.000 0.216 1494 A C 2.497 180.091 177.584 0.017 0.000 1.186 1494 A CA 2.355 54.366 52.037 -0.043 0.000 0.620 1494 A CB -1.192 17.813 19.000 0.009 0.000 0.822 1494 A HN 0.389 nan 8.150 nan 0.000 0.443 1495 A N -0.249 122.600 122.820 0.049 0.000 1.873 1495 A HA -0.239 4.061 4.320 -0.032 0.000 0.218 1495 A C 2.114 179.713 177.584 0.025 0.000 1.193 1495 A CA 2.303 54.379 52.037 0.066 0.000 0.629 1495 A CB -0.553 18.496 19.000 0.081 0.000 0.826 1495 A HN 0.497 nan 8.150 nan 0.000 0.447 1496 K N -0.474 119.924 120.400 -0.004 0.000 2.063 1496 K HA -0.066 4.234 4.320 -0.032 0.000 0.208 1496 K C 2.175 178.765 176.600 -0.015 0.000 1.048 1496 K CA 1.334 57.611 56.287 -0.016 0.000 0.928 1496 K CB -0.350 32.130 32.500 -0.035 0.000 0.713 1496 K HN 0.466 nan 8.250 nan 0.000 0.442 1497 A N 0.561 123.370 122.820 -0.018 0.000 1.969 1497 A HA -0.129 4.172 4.320 -0.032 0.000 0.218 1497 A C 1.980 179.564 177.584 -0.001 0.000 1.169 1497 A CA 1.122 53.154 52.037 -0.010 0.000 0.635 1497 A CB -0.449 18.542 19.000 -0.014 0.000 0.810 1497 A HN 0.261 nan 8.150 nan 0.000 0.445 1498 L N -0.399 120.827 121.223 0.005 0.000 1.988 1498 L HA -0.066 4.255 4.340 -0.032 0.000 0.207 1498 L C 2.369 179.219 176.870 -0.033 0.000 1.071 1498 L CA 2.872 57.711 54.840 -0.003 0.000 0.744 1498 L CB -1.382 40.688 42.059 0.018 0.000 0.893 1498 L HN 0.311 nan 8.230 nan 0.000 0.433 1499 T N -0.480 114.051 114.554 -0.037 0.000 2.778 1499 T HA -0.189 4.142 4.350 -0.032 0.000 0.269 1499 T C 2.006 176.682 174.700 -0.040 0.000 1.050 1499 T CA 1.600 63.664 62.100 -0.061 0.000 1.137 1499 T CB -0.510 68.327 68.868 -0.052 0.000 0.860 1499 T HN 0.683 nan 8.240 nan 0.000 0.468 1500 S N 1.243 116.930 115.700 -0.022 0.000 2.474 1500 S HA -0.113 4.337 4.470 -0.032 0.000 0.235 1500 S C 1.913 176.508 174.600 -0.009 0.000 0.997 1500 S CA 0.543 58.735 58.200 -0.012 0.000 0.949 1500 S CB -0.316 62.880 63.200 -0.005 0.000 0.766 1500 S HN 0.460 nan 8.310 nan 0.000 0.517 1501 Q N 0.510 120.303 119.800 -0.012 0.000 2.245 1501 Q HA 0.234 4.555 4.340 -0.032 0.000 0.201 1501 Q C 0.623 176.621 176.000 -0.004 0.000 0.955 1501 Q CA 0.169 55.971 55.803 -0.002 0.000 0.870 1501 Q CB -0.409 28.331 28.738 0.003 0.000 0.945 1501 Q HN 0.549 nan 8.270 nan 0.000 0.461 1502 L N 3.003 124.215 121.223 -0.019 0.000 2.559 1502 L HA -0.041 4.279 4.340 -0.032 0.000 0.274 1502 L C 1.059 177.927 176.870 -0.003 0.000 1.205 1502 L CA -0.000 54.831 54.840 -0.015 0.000 0.907 1502 L CB 0.364 42.401 42.059 -0.037 0.000 1.153 1502 L HN 0.185 nan 8.230 nan 0.000 0.490 1503 T N -1.303 113.254 114.554 0.006 0.000 2.770 1503 T HA 0.101 4.432 4.350 -0.032 0.000 0.281 1503 T C 0.784 175.488 174.700 0.007 0.000 0.981 1503 T CA -0.751 61.353 62.100 0.008 0.000 0.955 1503 T CB 0.965 69.840 68.868 0.012 0.000 1.060 1503 T HN 0.498 nan 8.240 nan 0.000 0.531 1504 D N 0.304 120.709 120.400 0.007 0.000 2.077 1504 D HA -0.085 4.535 4.640 -0.032 0.000 0.196 1504 D C 2.300 178.604 176.300 0.007 0.000 0.986 1504 D CA 1.220 55.224 54.000 0.007 0.000 0.829 1504 D CB -0.134 40.669 40.800 0.005 0.000 0.983 1504 D HN 0.728 nan 8.370 nan 0.000 0.453 1505 E N 1.005 121.208 120.200 0.005 0.000 2.085 1505 E HA -0.200 4.131 4.350 -0.032 0.000 0.194 1505 E C 1.984 178.588 176.600 0.007 0.000 0.994 1505 E CA 0.801 57.202 56.400 0.001 0.000 0.801 1505 E CB -0.458 29.242 29.700 -0.000 0.000 0.743 1505 E HN 0.496 nan 8.360 nan 0.000 0.453 1506 E N 0.524 120.733 120.200 0.016 0.000 2.058 1506 E HA -0.162 4.168 4.350 -0.032 0.000 0.194 1506 E C 2.036 178.656 176.600 0.034 0.000 0.997 1506 E CA 0.694 57.111 56.400 0.028 0.000 0.801 1506 E CB -0.098 29.619 29.700 0.029 0.000 0.746 1506 E HN 0.040 nan 8.360 nan 0.000 0.450 1507 L N 0.194 121.432 121.223 0.025 0.000 2.362 1507 L HA -0.035 4.285 4.340 -0.032 0.000 0.219 1507 L C 1.925 178.821 176.870 0.044 0.000 1.134 1507 L CA 1.144 56.002 54.840 0.031 0.000 0.807 1507 L CB -0.356 41.714 42.059 0.018 0.000 0.927 1507 L HN 0.021 nan 8.230 nan 0.000 0.447 1508 A N -1.111 121.725 122.820 0.027 0.000 2.178 1508 A HA -0.050 4.251 4.320 -0.032 0.000 0.211 1508 A C 1.666 179.247 177.584 -0.005 0.000 1.157 1508 A CA 0.642 52.688 52.037 0.015 0.000 0.780 1508 A CB -0.256 18.741 19.000 -0.005 0.000 0.828 1508 A HN 0.624 nan 8.150 nan 0.000 0.476 1509 Q N -2.160 117.644 119.800 0.007 0.000 2.179 1509 Q HA 0.475 4.796 4.340 -0.032 0.000 0.213 1509 Q C 0.805 176.859 176.000 0.091 0.000 0.833 1509 Q CA 0.360 56.142 55.803 -0.034 0.000 0.990 1509 Q CB 0.295 29.007 28.738 -0.043 0.000 1.132 1509 Q HN 0.662 nan 8.270 nan 0.000 0.493 1510 G N 1.376 110.287 108.800 0.186 0.000 2.175 1510 G HA2 -0.304 3.636 3.960 -0.032 0.000 0.244 1510 G HA3 -0.304 3.636 3.960 -0.032 0.000 0.244 1510 G C 0.019 175.074 174.900 0.258 0.000 0.982 1510 G CA -0.332 44.958 45.100 0.316 0.000 0.641 1510 G HN 0.263 nan 8.290 nan 0.000 0.527 1511 R N 0.291 120.892 120.500 0.167 0.000 2.291 1511 R HA 0.394 4.715 4.340 -0.032 0.000 0.333 1511 R C 0.840 177.171 176.300 0.052 0.000 1.082 1511 R CA -0.542 55.640 56.100 0.135 0.000 0.948 1511 R CB 0.138 30.502 30.300 0.107 0.000 1.009 1511 R HN 0.098 nan 8.270 nan 0.000 0.460 1512 L N 4.646 125.864 121.223 -0.007 0.000 2.628 1512 L HA 0.217 4.537 4.340 -0.032 0.000 0.229 1512 L C -0.798 175.671 176.870 -0.668 0.000 1.137 1512 L CA 0.326 55.010 54.840 -0.260 0.000 0.909 1512 L CB -0.519 41.378 42.059 -0.269 0.000 1.137 1512 L HN 0.540 nan 8.230 nan 0.000 0.470 1513 Y N -1.077 119.195 120.300 -0.047 0.000 2.513 1513 Y HA 0.424 4.955 4.550 -0.032 0.000 0.340 1513 Y C -2.248 173.585 175.900 -0.113 0.000 1.055 1513 Y CA -2.424 55.565 58.100 -0.185 0.000 1.020 1513 Y CB 1.657 39.980 38.460 -0.229 0.000 1.301 1513 Y HN -0.139 nan 8.280 nan 0.000 0.453 1514 P HA 0.113 nan 4.420 nan 0.000 0.271 1514 P C -2.627 174.784 177.300 0.186 0.000 1.218 1514 P CA -1.433 61.708 63.100 0.068 0.000 0.780 1514 P CB -0.039 31.687 31.700 0.043 0.000 0.901 1515 P HA -0.083 nan 4.420 nan 0.000 0.260 1515 P C 0.889 178.312 177.300 0.205 0.000 1.172 1515 P CA 0.029 63.231 63.100 0.171 0.000 0.760 1515 P CB 0.344 32.111 31.700 0.111 0.000 0.773 1516 L N 4.047 125.390 121.223 0.201 0.000 2.349 1516 L HA -0.173 4.148 4.340 -0.032 0.000 0.220 1516 L C 2.383 179.280 176.870 0.045 0.000 1.130 1516 L CA 1.663 56.556 54.840 0.089 0.000 0.791 1516 L CB -1.785 40.270 42.059 -0.008 0.000 0.918 1516 L HN 0.442 nan 8.230 nan 0.000 0.444 1517 A N -0.530 122.328 122.820 0.063 0.000 2.125 1517 A HA -0.120 4.180 4.320 -0.032 0.000 0.219 1517 A C 1.290 178.896 177.584 0.038 0.000 1.156 1517 A CA 1.368 53.429 52.037 0.041 0.000 0.671 1517 A CB -0.500 18.526 19.000 0.043 0.000 0.794 1517 A HN 0.661 nan 8.150 nan 0.000 0.459 1518 N N -0.513 118.223 118.700 0.060 0.000 2.416 1518 N HA 0.095 4.815 4.740 -0.032 0.000 0.267 1518 N C 0.624 176.171 175.510 0.062 0.000 1.294 1518 N CA -0.202 52.880 53.050 0.054 0.000 0.891 1518 N CB 0.436 38.959 38.487 0.059 0.000 1.238 1518 N HN 0.337 nan 8.380 nan 0.000 0.508 1519 I N 1.227 121.820 120.570 0.039 0.000 2.657 1519 I HA -0.261 3.890 4.170 -0.032 0.000 0.261 1519 I C 2.097 178.216 176.117 0.003 0.000 1.212 1519 I CA 1.559 62.866 61.300 0.011 0.000 1.453 1519 I CB 0.068 38.006 38.000 -0.103 0.000 1.092 1519 I HN 0.129 nan 8.210 nan 0.000 0.452 1520 Q N 0.604 120.409 119.800 0.008 0.000 1.946 1520 Q HA -0.229 4.092 4.340 -0.032 0.000 0.199 1520 Q C 2.116 178.125 176.000 0.014 0.000 0.979 1520 Q CA 2.212 58.019 55.803 0.006 0.000 0.834 1520 Q CB -0.232 28.511 28.738 0.008 0.000 0.899 1520 Q HN 0.757 nan 8.270 nan 0.000 0.431 1521 E N -0.648 119.565 120.200 0.021 0.000 2.204 1521 E HA -0.151 4.180 4.350 -0.032 0.000 0.195 1521 E C 1.808 178.427 176.600 0.032 0.000 0.990 1521 E CA 1.291 57.705 56.400 0.023 0.000 0.821 1521 E CB -0.195 29.519 29.700 0.023 0.000 0.750 1521 E HN 0.122 nan 8.360 nan 0.000 0.477 1522 V N 1.093 121.036 119.914 0.048 0.000 2.358 1522 V HA -0.233 3.867 4.120 -0.032 0.000 0.246 1522 V C 2.355 178.479 176.094 0.049 0.000 1.047 1522 V CA 1.968 64.308 62.300 0.066 0.000 1.035 1522 V CB -0.285 31.615 31.823 0.130 0.000 0.658 1522 V HN 0.333 nan 8.190 nan 0.000 0.452 1523 S N -0.092 115.626 115.700 0.029 0.000 2.368 1523 S HA -0.119 4.332 4.470 -0.032 0.000 0.225 1523 S C 1.895 176.492 174.600 -0.005 0.000 1.030 1523 S CA 1.241 59.438 58.200 -0.005 0.000 0.999 1523 S CB -0.229 62.946 63.200 -0.042 0.000 0.844 1523 S HN 0.361 nan 8.310 nan 0.000 0.459 1524 I N 2.775 123.348 120.570 0.004 0.000 2.142 1524 I HA -0.109 4.041 4.170 -0.032 0.000 0.240 1524 I C 1.955 178.082 176.117 0.017 0.000 1.078 1524 I CA 1.147 62.452 61.300 0.008 0.000 1.343 1524 I CB -1.804 36.203 38.000 0.011 0.000 1.046 1524 I HN 0.206 nan 8.210 nan 0.000 0.405 1525 N N 0.989 119.702 118.700 0.022 0.000 2.094 1525 N HA -0.179 4.542 4.740 -0.032 0.000 0.191 1525 N C 1.975 177.499 175.510 0.022 0.000 1.023 1525 N CA 1.288 54.353 53.050 0.025 0.000 0.857 1525 N CB -0.407 38.096 38.487 0.026 0.000 1.013 1525 N HN 0.370 nan 8.380 nan 0.000 0.426 1526 I N 0.473 121.053 120.570 0.017 0.000 2.252 1526 I HA -0.220 3.931 4.170 -0.032 0.000 0.245 1526 I C 2.176 178.294 176.117 0.001 0.000 1.102 1526 I CA 0.905 62.210 61.300 0.008 0.000 1.385 1526 I CB -0.236 37.769 38.000 0.009 0.000 1.064 1526 I HN 0.096 nan 8.210 nan 0.000 0.414 1527 A N 1.049 123.870 122.820 0.002 0.000 1.877 1527 A HA -0.176 4.124 4.320 -0.032 0.000 0.216 1527 A C 2.266 179.871 177.584 0.034 0.000 1.186 1527 A CA 1.416 53.456 52.037 0.004 0.000 0.620 1527 A CB -0.789 18.212 19.000 0.001 0.000 0.822 1527 A HN 0.350 nan 8.150 nan 0.000 0.443 1528 I N -0.124 120.474 120.570 0.047 0.000 2.127 1528 I HA -0.305 3.845 4.170 -0.032 0.000 0.241 1528 I C 2.392 178.551 176.117 0.070 0.000 1.075 1528 I CA 1.581 62.925 61.300 0.073 0.000 1.334 1528 I CB -0.248 37.790 38.000 0.064 0.000 1.040 1528 I HN 0.241 nan 8.210 nan 0.000 0.405 1529 K N 0.444 120.873 120.400 0.048 0.000 2.057 1529 K HA -0.110 4.190 4.320 -0.032 0.000 0.207 1529 K C 2.105 178.743 176.600 0.063 0.000 1.049 1529 K CA 1.262 57.578 56.287 0.048 0.000 0.931 1529 K CB -0.686 31.827 32.500 0.022 0.000 0.714 1529 K HN 0.255 nan 8.250 nan 0.000 0.440 1530 V N 2.001 121.936 119.914 0.035 0.000 2.515 1530 V HA -0.217 3.884 4.120 -0.032 0.000 0.250 1530 V C 2.805 178.946 176.094 0.078 0.000 1.058 1530 V CA 2.267 64.592 62.300 0.041 0.000 1.064 1530 V CB -1.157 30.647 31.823 -0.033 0.000 0.675 1530 V HN 0.545 nan 8.190 nan 0.000 0.461 1531 T N -1.484 113.102 114.554 0.052 0.000 2.777 1531 T HA -0.210 4.121 4.350 -0.032 0.000 0.266 1531 T C 1.682 176.428 174.700 0.078 0.000 1.040 1531 T CA 1.590 63.697 62.100 0.013 0.000 1.141 1531 T CB -0.418 68.499 68.868 0.080 0.000 0.868 1531 T HN 0.539 nan 8.240 nan 0.000 0.444 1532 E N -0.017 120.265 120.200 0.137 0.000 2.171 1532 E HA -0.149 4.182 4.350 -0.032 0.000 0.197 1532 E C 1.823 178.507 176.600 0.140 0.000 0.997 1532 E CA 1.437 57.927 56.400 0.151 0.000 0.810 1532 E CB -0.325 29.442 29.700 0.112 0.000 0.738 1532 E HN 0.736 nan 8.360 nan 0.000 0.467 1533 Y N 0.950 121.254 120.300 0.006 0.000 2.220 1533 Y HA -0.118 4.413 4.550 -0.033 0.000 0.291 1533 Y C 1.827 177.705 175.900 -0.037 0.000 1.129 1533 Y CA 1.161 59.251 58.100 -0.016 0.000 1.161 1533 Y CB -0.151 38.286 38.460 -0.039 0.000 0.997 1533 Y HN -0.076 nan 8.280 nan 0.000 0.522 1534 L N -1.109 120.020 121.223 -0.157 0.000 2.046 1534 L HA -0.270 4.050 4.340 -0.032 0.000 0.208 1534 L C 2.224 178.903 176.870 -0.318 0.000 1.077 1534 L CA 1.760 56.408 54.840 -0.319 0.000 0.747 1534 L CB -0.897 40.993 42.059 -0.281 0.000 0.896 1534 L HN 0.266 nan 8.230 nan 0.000 0.432 1535 Y N -0.394 119.784 120.300 -0.203 0.000 2.163 1535 Y HA -0.249 4.282 4.550 -0.033 0.000 0.288 1535 Y C 2.645 178.456 175.900 -0.149 0.000 1.136 1535 Y CA 0.737 58.729 58.100 -0.180 0.000 1.147 1535 Y CB -0.202 38.166 38.460 -0.153 0.000 0.987 1535 Y HN 0.151 nan 8.280 nan 0.000 0.509 1536 A N -0.251 122.578 122.820 0.015 0.000 2.121 1536 A HA -0.137 4.164 4.320 -0.032 0.000 0.218 1536 A C 1.436 178.946 177.584 -0.124 0.000 1.154 1536 A CA 1.378 53.390 52.037 -0.042 0.000 0.679 1536 A CB -0.393 18.591 19.000 -0.027 0.000 0.795 1536 A HN 0.482 nan 8.150 nan 0.000 0.458 1537 N N -0.632 117.917 118.700 -0.253 0.000 2.234 1537 N HA 0.127 4.848 4.740 -0.032 0.000 0.227 1537 N C -0.490 174.899 175.510 -0.203 0.000 1.151 1537 N CA -0.092 52.790 53.050 -0.279 0.000 0.865 1537 N CB 0.452 38.613 38.487 -0.544 0.000 1.066 1537 N HN 0.147 nan 8.380 nan 0.000 0.515 1541 F N -0.134 119.625 119.950 -0.319 0.000 2.915 1541 F HA 0.303 4.811 4.527 -0.033 0.000 0.347 1541 F C 1.138 176.831 175.800 -0.179 0.000 1.104 1541 F CA -0.228 57.683 58.000 -0.148 0.000 1.126 1541 F CB 0.768 39.781 39.000 0.022 0.000 1.145 1541 F HN 0.512 nan 8.300 nan 0.000 0.541 1542 R N 1.144 121.571 120.500 -0.121 0.000 2.309 1542 R HA 0.076 4.397 4.340 -0.032 0.000 0.331 1542 R C -0.057 176.165 176.300 -0.130 0.000 1.116 1542 R CA 0.275 56.375 56.100 0.000 0.000 0.970 1542 R CB -0.318 30.020 30.300 0.063 0.000 1.024 1542 R HN 0.350 nan 8.270 nan 0.000 0.472 1543 Y N 3.698 124.096 120.300 0.164 0.000 2.397 1543 Y HA 0.131 4.662 4.550 -0.032 0.000 0.292 1543 Y C -0.943 174.975 175.900 0.030 0.000 1.115 1543 Y CA -0.187 57.981 58.100 0.113 0.000 1.208 1543 Y CB 0.138 38.655 38.460 0.096 0.000 1.046 1543 Y HN 0.507 nan 8.280 nan 0.000 0.552 1544 P HA -0.073 nan 4.420 nan 0.000 0.258 1544 P C -0.513 176.779 177.300 -0.014 0.000 1.563 1544 P CA 0.338 63.492 63.100 0.091 0.000 1.241 1544 P CB -0.443 31.302 31.700 0.075 0.000 1.811 1545 E N 4.930 125.086 120.200 -0.073 0.000 2.493 1545 E HA 0.001 4.331 4.350 -0.032 0.000 0.255 1545 E C -1.549 174.806 176.600 -0.408 0.000 0.999 1545 E CA -1.564 54.582 56.400 -0.424 0.000 0.934 1545 E CB 0.207 29.579 29.700 -0.546 0.000 0.940 1545 E HN 0.293 nan 8.360 nan 0.000 0.473 1546 P HA -0.022 nan 4.420 nan 0.000 0.268 1546 P C -0.254 176.890 177.300 -0.260 0.000 1.205 1546 P CA 0.231 63.135 63.100 -0.327 0.000 0.771 1546 P CB 1.059 32.497 31.700 -0.437 0.000 0.858 1547 E N 0.396 120.519 120.200 -0.130 0.000 2.086 1547 E HA -0.079 4.251 4.350 -0.032 0.000 0.190 1547 E C 0.340 176.904 176.600 -0.059 0.000 0.975 1547 E CA 0.749 57.091 56.400 -0.096 0.000 0.813 1547 E CB 0.081 29.749 29.700 -0.054 0.000 0.768 1547 E HN 0.446 nan 8.360 nan 0.000 0.457 1548 D N -0.068 120.320 120.400 -0.020 0.000 2.485 1548 D HA 0.073 4.694 4.640 -0.032 0.000 0.221 1548 D C 0.103 176.439 176.300 0.061 0.000 1.112 1548 D CA -0.107 53.905 54.000 0.020 0.000 0.911 1548 D CB 0.713 41.535 40.800 0.037 0.000 1.019 1548 D HN -0.170 nan 8.370 nan 0.000 0.516 1549 K N 1.832 122.262 120.400 0.050 0.000 2.209 1549 K HA -0.021 4.280 4.320 -0.032 0.000 0.204 1549 K C 1.709 178.413 176.600 0.173 0.000 1.048 1549 K CA 1.030 57.390 56.287 0.120 0.000 0.940 1549 K CB 0.021 32.584 32.500 0.104 0.000 0.729 1549 K HN 0.423 nan 8.250 nan 0.000 0.451 1550 A N 1.206 124.092 122.820 0.109 0.000 1.828 1550 A HA -0.230 4.070 4.320 -0.032 0.000 0.215 1550 A C 2.067 179.709 177.584 0.098 0.000 1.203 1550 A CA 1.878 53.969 52.037 0.089 0.000 0.614 1550 A CB -0.639 18.396 19.000 0.057 0.000 0.844 1550 A HN 0.277 nan 8.150 nan 0.000 0.445 1551 K N -1.723 118.730 120.400 0.088 0.000 2.089 1551 K HA -0.277 4.023 4.320 -0.032 0.000 0.210 1551 K C 1.907 178.571 176.600 0.108 0.000 1.048 1551 K CA 2.211 58.545 56.287 0.078 0.000 0.926 1551 K CB -0.464 32.078 32.500 0.069 0.000 0.714 1551 K HN 0.548 nan 8.250 nan 0.000 0.448 1552 Y N 1.231 121.545 120.300 0.024 0.000 2.049 1552 Y HA -0.290 4.241 4.550 -0.031 0.000 0.277 1552 Y C 2.004 177.925 175.900 0.035 0.000 1.143 1552 Y CA 2.005 60.125 58.100 0.033 0.000 1.115 1552 Y CB -0.626 37.864 38.460 0.051 0.000 0.975 1552 Y HN -0.127 nan 8.280 nan 0.000 0.487 1553 V N 0.470 120.419 119.914 0.058 0.000 2.287 1553 V HA -0.325 3.776 4.120 -0.032 0.000 0.248 1553 V C 2.292 178.341 176.094 -0.075 0.000 1.053 1553 V CA 2.426 64.691 62.300 -0.058 0.000 1.027 1553 V CB -0.741 31.121 31.823 0.064 0.000 0.646 1553 V HN 0.252 nan 8.190 nan 0.000 0.447 1554 K N 0.180 120.569 120.400 -0.018 0.000 2.113 1554 K HA -0.197 4.104 4.320 -0.032 0.000 0.208 1554 K C 2.055 178.629 176.600 -0.043 0.000 1.047 1554 K CA 1.570 57.846 56.287 -0.019 0.000 0.928 1554 K CB -0.283 32.219 32.500 0.003 0.000 0.716 1554 K HN 0.592 nan 8.250 nan 0.000 0.446 1555 E N -0.450 119.711 120.200 -0.065 0.000 2.208 1555 E HA -0.106 4.224 4.350 -0.032 0.000 0.193 1555 E C 1.285 177.827 176.600 -0.097 0.000 0.988 1555 E CA 0.712 57.069 56.400 -0.072 0.000 0.828 1555 E CB 0.099 29.761 29.700 -0.063 0.000 0.763 1555 E HN 0.142 nan 8.360 nan 0.000 0.478 1556 R N 0.910 121.320 120.500 -0.151 0.000 2.388 1556 R HA 0.043 4.363 4.340 -0.032 0.000 0.247 1556 R C 0.011 176.277 176.300 -0.056 0.000 0.931 1556 R CA 0.130 56.149 56.100 -0.135 0.000 1.082 1556 R CB 0.452 30.602 30.300 -0.250 0.000 1.135 1556 R HN 0.045 nan 8.270 nan 0.000 0.525 1557 T N -2.368 112.169 114.554 -0.028 0.000 2.817 1557 T HA 0.131 4.462 4.350 -0.032 0.000 0.293 1557 T C -0.350 174.403 174.700 0.090 0.000 0.964 1557 T CA -0.860 61.259 62.100 0.031 0.000 1.085 1557 T CB 1.124 70.004 68.868 0.019 0.000 0.921 1557 T HN 0.293 nan 8.240 nan 0.000 0.502 1558 W N 3.469 124.717 121.300 -0.087 0.000 2.253 1558 W HA 0.507 5.145 4.660 -0.036 0.000 0.322 1558 W C -0.081 176.386 176.519 -0.087 0.000 1.342 1558 W CA -0.734 56.559 57.345 -0.087 0.000 1.218 1558 W CB 0.544 29.938 29.460 -0.109 0.000 1.205 1558 W HN 0.542 nan 8.180 nan 0.000 0.551 1559 R N 2.420 122.560 120.500 -0.600 0.000 2.604 1559 R HA 0.205 4.525 4.340 -0.032 0.000 0.287 1559 R C 1.168 176.598 176.300 -1.449 0.000 0.970 1559 R CA 0.007 55.707 56.100 -0.666 0.000 0.946 1559 R CB 1.646 31.700 30.300 -0.411 0.000 1.127 1559 R HN 0.546 nan 8.270 nan 0.000 0.473 1560 S N 0.002 115.173 115.700 -0.881 0.000 2.603 1560 S HA 0.056 4.507 4.470 -0.032 0.000 0.220 1560 S C 0.196 174.497 174.600 -0.498 0.000 0.967 1560 S CA -0.112 57.663 58.200 -0.709 0.000 0.920 1560 S CB -0.123 63.024 63.200 -0.088 0.000 0.773 1560 S HN 0.506 nan 8.310 nan 0.000 0.529 1561 E N 1.336 121.266 120.200 -0.450 0.000 2.467 1561 E HA 0.162 4.493 4.350 -0.032 0.000 0.264 1561 E C -0.640 175.828 176.600 -0.220 0.000 1.020 1561 E CA 0.292 56.507 56.400 -0.308 0.000 0.945 1561 E CB 0.153 29.719 29.700 -0.224 0.000 0.942 1561 E HN 0.525 nan 8.360 nan 0.000 0.449 1562 Y N 1.501 121.719 120.300 -0.136 0.000 2.309 1562 Y HA 0.081 4.616 4.550 -0.025 0.000 0.327 1562 Y C 0.368 176.212 175.900 -0.093 0.000 1.172 1562 Y CA -0.737 57.298 58.100 -0.108 0.000 1.280 1562 Y CB 0.953 39.355 38.460 -0.096 0.000 1.234 1562 Y HN 0.375 nan 8.280 nan 0.000 0.512 1563 D N 1.469 121.936 120.400 0.111 0.000 2.175 1563 D HA 0.059 4.680 4.640 -0.032 0.000 0.248 1563 D C -0.409 175.916 176.300 0.042 0.000 1.047 1563 D CA -0.255 53.771 54.000 0.043 0.000 0.883 1563 D CB 1.860 42.677 40.800 0.028 0.000 1.180 1563 D HN 0.362 nan 8.370 nan 0.000 0.438 1564 S N 1.279 117.000 115.700 0.035 0.000 2.564 1564 S HA 0.142 4.592 4.470 -0.032 0.000 0.278 1564 S C 1.144 175.770 174.600 0.043 0.000 1.333 1564 S CA -0.440 57.782 58.200 0.038 0.000 1.048 1564 S CB 0.317 63.537 63.200 0.033 0.000 0.900 1564 S HN 0.381 nan 8.310 nan 0.000 0.505 1565 L N 4.282 125.539 121.223 0.056 0.000 2.590 1565 L HA 0.316 4.637 4.340 -0.032 0.000 0.227 1565 L C 0.746 177.638 176.870 0.036 0.000 1.099 1565 L CA -0.265 54.608 54.840 0.056 0.000 0.872 1565 L CB -0.233 41.878 42.059 0.087 0.000 1.088 1565 L HN 0.493 nan 8.230 nan 0.000 0.479 1566 L N 2.409 123.652 121.223 0.033 0.000 2.516 1566 L HA 0.076 4.396 4.340 -0.032 0.000 0.288 1566 L C -1.745 175.139 176.870 0.023 0.000 1.246 1566 L CA -0.643 54.210 54.840 0.022 0.000 0.844 1566 L CB 0.073 42.146 42.059 0.023 0.000 1.106 1566 L HN 0.005 nan 8.230 nan 0.000 0.509 1567 P HA 0.184 nan 4.420 nan 0.000 0.290 1567 P C -1.179 176.148 177.300 0.044 0.000 1.275 1567 P CA -0.649 62.465 63.100 0.023 0.000 0.841 1567 P CB 1.015 32.715 31.700 0.000 0.000 1.042 1568 D N 1.718 122.167 120.400 0.081 0.000 2.383 1568 D HA 0.148 4.768 4.640 -0.032 0.000 0.245 1568 D C -0.668 175.761 176.300 0.214 0.000 1.263 1568 D CA 0.054 54.146 54.000 0.153 0.000 0.936 1568 D CB -0.253 40.652 40.800 0.175 0.000 1.053 1568 D HN -0.073 nan 8.370 nan 0.000 0.507 1569 V N 6.013 126.004 119.914 0.129 0.000 2.394 1569 V HA 0.443 4.544 4.120 -0.032 0.000 0.282 1569 V C -0.361 175.797 176.094 0.107 0.000 1.031 1569 V CA -0.555 61.742 62.300 -0.005 0.000 0.881 1569 V CB 0.368 32.158 31.823 -0.054 0.000 0.982 1569 V HN 0.426 nan 8.190 nan 0.000 0.451 1570 Y N 1.437 121.709 120.300 -0.048 0.000 2.615 1570 Y HA 0.675 5.206 4.550 -0.033 0.000 0.341 1570 Y C 0.288 176.170 175.900 -0.030 0.000 1.089 1570 Y CA -1.279 56.815 58.100 -0.010 0.000 1.049 1570 Y CB 0.958 39.441 38.460 0.039 0.000 1.296 1570 Y HN 0.456 nan 8.280 nan 0.000 0.470 1571 E N 0.169 120.450 120.200 0.136 0.000 4.521 1571 E HA 0.041 4.371 4.350 -0.032 0.000 0.562 1571 E C -1.308 175.451 176.600 0.265 0.000 1.127 1571 E CA 0.511 56.969 56.400 0.097 0.000 3.733 1571 E CB 0.231 30.015 29.700 0.140 0.000 1.950 1571 E HN 0.706 nan 8.360 nan 0.000 0.434 1572 W N 1.099 122.436 121.300 0.063 0.000 4.316 1572 W HA 0.191 4.837 4.660 -0.024 0.000 0.283 1572 W C -2.084 174.463 176.519 0.047 0.000 1.252 1572 W CA -1.388 56.000 57.345 0.071 0.000 1.358 1572 W CB -0.596 28.880 29.460 0.027 0.000 1.144 1572 W HN 0.347 nan 8.180 nan 0.000 0.466 1573 P HA 0.000 nan 4.420 nan 0.000 0.216 1573 P CA 0.000 63.144 63.100 0.074 0.000 0.800 1573 P CB 0.000 31.713 31.700 0.022 0.000 0.726