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 1q6n_1_B DATA FIRST_RESID 997 DATA SEQUENCE KLEFMEMEKE FEQIDKSGSW AAIYQDIRHE ASDFPCRVAK LPKNKNRNRY DATA SEQUENCE RDVSPFDHSR IKLHQEDNDY INASLIKMEE AQRSYILTQG PLPNTCGHFW DATA SEQUENCE EMVWEQKSRG VVMLNRVMEK GSLKCAQYWP QKEEKEMIFE DTNLKLTLIS DATA SEQUENCE EDIKSYYTVR QLELENLTTQ ETREILHFHY TTWPDFGVPE SPASFLNFLF DATA SEQUENCE KVRESGSLSP EHGPVVVHCS AGIGRSGTFC LADTCLLLMD KRKDPSSVDI DATA SEQUENCE KKVLLEMRKF RMGLIQTADQ LRFSYLAVIE GAKFIMGDS 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 997 K HA 0.000 nan 4.320 nan 0.000 0.191 997 K C 0.000 176.709 176.600 0.181 0.000 0.988 997 K CA 0.000 56.353 56.287 0.110 0.000 0.838 997 K CB 0.000 32.547 32.500 0.078 0.000 1.064 998 L N 1.493 122.806 121.223 0.151 0.000 2.240 998 L HA 0.375 4.717 4.340 0.004 0.000 0.211 998 L C 2.784 179.739 176.870 0.141 0.000 1.106 998 L CA 3.174 58.085 54.840 0.119 0.000 0.793 998 L CB -2.069 40.035 42.059 0.074 0.000 0.927 998 L HN 1.114 nan 8.230 nan 0.000 0.446 999 E N 0.031 120.332 120.200 0.168 0.000 2.038 999 E HA -0.283 4.070 4.350 0.004 0.000 0.195 999 E C 1.849 178.478 176.600 0.048 0.000 1.000 999 E CA 1.523 57.955 56.400 0.054 0.000 0.803 999 E CB -1.107 28.552 29.700 -0.067 0.000 0.750 999 E HN 0.819 nan 8.360 nan 0.000 0.448 1000 F N 0.173 120.136 119.950 0.021 0.000 2.269 1000 F HA 0.013 4.542 4.527 0.004 0.000 0.301 1000 F C 3.080 178.896 175.800 0.026 0.000 1.082 1000 F CA 2.217 60.231 58.000 0.023 0.000 1.360 1000 F CB -0.814 38.195 39.000 0.016 0.000 1.041 1000 F HN 0.331 nan 8.300 nan 0.000 0.512 1001 M N -0.447 119.290 119.600 0.228 0.000 2.254 1001 M HA -0.043 4.439 4.480 0.004 0.000 0.265 1001 M C 2.053 178.415 176.300 0.105 0.000 1.066 1001 M CA 2.165 57.546 55.300 0.135 0.000 1.123 1001 M CB -1.204 31.458 32.600 0.103 0.000 1.388 1001 M HN 0.119 nan 8.290 nan 0.000 0.425 1002 E N 0.187 120.442 120.200 0.092 0.000 2.107 1002 E HA -0.031 4.322 4.350 0.004 0.000 0.191 1002 E C 1.913 178.556 176.600 0.072 0.000 0.982 1002 E CA 1.538 57.977 56.400 0.066 0.000 0.809 1002 E CB -0.328 29.397 29.700 0.042 0.000 0.756 1002 E HN 0.777 nan 8.360 nan 0.000 0.459 1003 M N -0.247 119.395 119.600 0.071 0.000 2.229 1003 M HA -0.112 4.370 4.480 0.004 0.000 0.264 1003 M C 1.905 178.299 176.300 0.156 0.000 1.063 1003 M CA 1.318 56.673 55.300 0.091 0.000 1.114 1003 M CB -0.189 32.440 32.600 0.048 0.000 1.387 1003 M HN 0.080 nan 8.290 nan 0.000 0.420 1004 E N 0.536 120.818 120.200 0.137 0.000 2.110 1004 E HA -0.165 4.188 4.350 0.004 0.000 0.193 1004 E C 1.953 178.667 176.600 0.190 0.000 0.988 1004 E CA 1.055 57.545 56.400 0.150 0.000 0.804 1004 E CB 0.063 29.822 29.700 0.099 0.000 0.745 1004 E HN 0.454 nan 8.360 nan 0.000 0.458 1005 K N 0.595 121.077 120.400 0.137 0.000 2.057 1005 K HA -0.133 4.190 4.320 0.004 0.000 0.206 1005 K C 2.129 178.799 176.600 0.116 0.000 1.050 1005 K CA 0.728 57.082 56.287 0.113 0.000 0.935 1005 K CB -0.025 32.519 32.500 0.073 0.000 0.715 1005 K HN 0.024 nan 8.250 nan 0.000 0.439 1006 E N 0.805 121.077 120.200 0.120 0.000 2.049 1006 E HA -0.215 4.138 4.350 0.004 0.000 0.198 1006 E C 1.835 178.503 176.600 0.113 0.000 1.007 1006 E CA 1.366 57.823 56.400 0.095 0.000 0.809 1006 E CB -0.247 29.524 29.700 0.119 0.000 0.749 1006 E HN 0.230 nan 8.360 nan 0.000 0.450 1007 F N 1.769 121.777 119.950 0.096 0.000 2.102 1007 F HA -0.175 4.354 4.527 0.004 0.000 0.298 1007 F C 2.259 178.135 175.800 0.127 0.000 1.105 1007 F CA 1.813 59.916 58.000 0.171 0.000 1.239 1007 F CB -0.026 39.114 39.000 0.234 0.000 0.991 1007 F HN 0.028 nan 8.300 nan 0.000 0.474 1008 E N -0.491 119.925 120.200 0.360 0.000 2.153 1008 E HA -0.265 4.087 4.350 0.004 0.000 0.194 1008 E C 2.163 178.793 176.600 0.049 0.000 0.988 1008 E CA 1.040 57.577 56.400 0.227 0.000 0.811 1008 E CB -0.286 29.535 29.700 0.202 0.000 0.746 1008 E HN 0.435 nan 8.360 nan 0.000 0.466 1009 Q N 0.836 120.637 119.800 0.002 0.000 2.083 1009 Q HA -0.114 4.229 4.340 0.004 0.000 0.198 1009 Q C 2.108 178.007 176.000 -0.169 0.000 0.969 1009 Q CA 1.035 56.801 55.803 -0.061 0.000 0.838 1009 Q CB -0.002 28.707 28.738 -0.050 0.000 0.900 1009 Q HN 0.362 nan 8.270 nan 0.000 0.436 1010 I N 1.070 121.459 120.570 -0.302 0.000 2.361 1010 I HA -0.251 3.922 4.170 0.004 0.000 0.251 1010 I C 1.729 177.544 176.117 -0.502 0.000 1.133 1010 I CA 1.184 62.135 61.300 -0.583 0.000 1.413 1010 I CB -0.196 37.122 38.000 -1.136 0.000 1.073 1010 I HN 0.091 nan 8.210 nan 0.000 0.424 1011 D N 0.716 120.949 120.400 -0.278 0.000 2.123 1011 D HA -0.174 4.468 4.640 0.004 0.000 0.200 1011 D C 2.051 178.326 176.300 -0.042 0.000 0.976 1011 D CA 1.010 54.977 54.000 -0.055 0.000 0.831 1011 D CB -0.026 40.790 40.800 0.027 0.000 0.974 1011 D HN 0.044 nan 8.370 nan 0.000 0.469 1012 K N 0.731 121.101 120.400 -0.050 0.000 2.001 1012 K HA -0.131 4.192 4.320 0.004 0.000 0.214 1012 K C 1.839 178.408 176.600 -0.050 0.000 1.050 1012 K CA 2.279 58.548 56.287 -0.031 0.000 0.934 1012 K CB -0.613 31.871 32.500 -0.026 0.000 0.718 1012 K HN 0.131 nan 8.250 nan 0.000 0.443 1013 S N -1.225 114.420 115.700 -0.093 0.000 2.527 1013 S HA 0.141 4.613 4.470 0.004 0.000 0.222 1013 S C 1.196 175.735 174.600 -0.101 0.000 0.985 1013 S CA 0.333 58.475 58.200 -0.095 0.000 0.921 1013 S CB -0.445 62.684 63.200 -0.119 0.000 0.772 1013 S HN 0.659 nan 8.310 nan 0.000 0.529 1014 G N 1.066 109.798 108.800 -0.114 0.000 2.314 1014 G HA2 -0.240 3.722 3.960 0.004 0.000 0.292 1014 G HA3 -0.240 3.722 3.960 0.004 0.000 0.292 1014 G C 0.341 175.170 174.900 -0.119 0.000 1.059 1014 G CA 0.322 45.379 45.100 -0.071 0.000 0.982 1014 G HN 0.582 nan 8.290 nan 0.000 0.505 1015 S N -1.336 114.195 115.700 -0.283 0.000 2.660 1015 S HA 0.201 4.673 4.470 0.004 0.000 0.227 1015 S C 1.619 176.017 174.600 -0.338 0.000 0.948 1015 S CA 0.291 58.315 58.200 -0.294 0.000 0.948 1015 S CB -0.123 62.871 63.200 -0.343 0.000 0.779 1015 S HN 0.628 nan 8.310 nan 0.000 0.487 1016 W N 2.051 123.278 121.300 -0.123 0.000 2.381 1016 W HA -0.050 4.612 4.660 0.004 0.000 0.301 1016 W C 2.597 179.110 176.519 -0.009 0.000 1.205 1016 W CA 0.811 58.082 57.345 -0.122 0.000 1.285 1016 W CB -0.400 28.963 29.460 -0.162 0.000 1.133 1016 W HN 0.326 nan 8.180 nan 0.000 0.521 1017 A N 0.477 123.430 122.820 0.221 0.000 1.902 1017 A HA -0.107 4.215 4.320 0.004 0.000 0.217 1017 A C 2.041 179.727 177.584 0.170 0.000 1.181 1017 A CA 2.350 54.515 52.037 0.213 0.000 0.623 1017 A CB -1.269 17.816 19.000 0.143 0.000 0.818 1017 A HN 0.208 nan 8.150 nan 0.000 0.443 1018 A N -0.198 122.667 122.820 0.075 0.000 1.930 1018 A HA -0.027 4.295 4.320 0.004 0.000 0.217 1018 A C 2.100 179.710 177.584 0.044 0.000 1.175 1018 A CA 1.420 53.477 52.037 0.033 0.000 0.627 1018 A CB -0.565 18.422 19.000 -0.021 0.000 0.815 1018 A HN 0.495 nan 8.150 nan 0.000 0.443 1019 I N -2.005 118.588 120.570 0.038 0.000 2.226 1019 I HA -0.248 3.924 4.170 0.004 0.000 0.245 1019 I C 2.468 178.683 176.117 0.163 0.000 1.100 1019 I CA 1.637 62.972 61.300 0.058 0.000 1.374 1019 I CB -0.397 37.601 38.000 -0.004 0.000 1.057 1019 I HN 0.514 nan 8.210 nan 0.000 0.413 1020 Y N 1.778 122.146 120.300 0.114 0.000 2.163 1020 Y HA -0.258 4.294 4.550 0.004 0.000 0.288 1020 Y C 2.656 178.627 175.900 0.118 0.000 1.136 1020 Y CA 1.522 59.703 58.100 0.134 0.000 1.147 1020 Y CB -0.293 38.254 38.460 0.145 0.000 0.987 1020 Y HN 0.139 nan 8.280 nan 0.000 0.509 1021 Q N 0.049 119.826 119.800 -0.038 0.000 2.124 1021 Q HA -0.201 4.141 4.340 0.004 0.000 0.202 1021 Q C 1.925 177.948 176.000 0.037 0.000 0.977 1021 Q CA 1.831 57.605 55.803 -0.047 0.000 0.850 1021 Q CB -0.697 28.079 28.738 0.063 0.000 0.901 1021 Q HN 0.618 nan 8.270 nan 0.000 0.429 1022 D N 0.357 120.776 120.400 0.032 0.000 2.123 1022 D HA -0.121 4.521 4.640 0.004 0.000 0.196 1022 D C 1.847 178.164 176.300 0.028 0.000 0.992 1022 D CA 0.891 54.917 54.000 0.043 0.000 0.833 1022 D CB -0.098 40.720 40.800 0.029 0.000 0.954 1022 D HN 0.207 nan 8.370 nan 0.000 0.455 1023 I N -0.034 120.532 120.570 -0.008 0.000 2.202 1023 I HA -0.201 3.971 4.170 0.004 0.000 0.242 1023 I C 2.586 178.646 176.117 -0.094 0.000 1.091 1023 I CA 0.792 62.083 61.300 -0.014 0.000 1.368 1023 I CB -0.239 37.786 38.000 0.042 0.000 1.058 1023 I HN 0.014 nan 8.210 nan 0.000 0.410 1024 R N 0.016 120.374 120.500 -0.237 0.000 2.091 1024 R HA -0.202 4.140 4.340 0.004 0.000 0.238 1024 R C 2.034 178.122 176.300 -0.353 0.000 1.136 1024 R CA 1.626 57.535 56.100 -0.318 0.000 0.959 1024 R CB -0.686 29.343 30.300 -0.452 0.000 0.856 1024 R HN 0.483 nan 8.270 nan 0.000 0.437 1025 H N -0.108 118.909 119.070 -0.088 0.000 2.548 1025 H HA 0.069 4.627 4.556 0.004 0.000 0.268 1025 H C 1.488 176.789 175.328 -0.045 0.000 0.975 1025 H CA 0.498 56.512 56.048 -0.057 0.000 1.195 1025 H CB 0.352 30.082 29.762 -0.053 0.000 1.397 1025 H HN 0.118 nan 8.280 nan 0.000 0.572 1026 E N 0.266 120.469 120.200 0.005 0.000 2.415 1026 E HA 0.202 4.555 4.350 0.004 0.000 0.197 1026 E C 0.867 177.451 176.600 -0.026 0.000 1.007 1026 E CA 0.112 56.512 56.400 -0.001 0.000 0.890 1026 E CB 0.256 29.964 29.700 0.014 0.000 0.891 1026 E HN 0.332 nan 8.360 nan 0.000 0.496 1027 A N 2.113 124.910 122.820 -0.039 0.000 2.520 1027 A HA 0.131 4.453 4.320 0.004 0.000 0.235 1027 A C 0.788 178.340 177.584 -0.053 0.000 1.065 1027 A CA 0.099 52.126 52.037 -0.016 0.000 0.764 1027 A CB 0.101 19.102 19.000 0.001 0.000 1.002 1027 A HN 0.162 nan 8.150 nan 0.000 0.502 1028 S N 0.818 116.484 115.700 -0.057 0.000 2.603 1028 S HA 0.474 4.946 4.470 0.004 0.000 0.268 1028 S C -0.451 173.980 174.600 -0.282 0.000 1.317 1028 S CA -0.190 57.863 58.200 -0.245 0.000 1.012 1028 S CB 1.132 64.136 63.200 -0.326 0.000 0.926 1028 S HN 0.786 nan 8.310 nan 0.000 0.539 1029 D N -0.447 119.611 120.400 -0.571 0.000 2.787 1029 D HA 0.634 5.276 4.640 0.004 0.000 0.246 1029 D C -1.605 174.200 176.300 -0.825 0.000 1.150 1029 D CA -0.480 53.258 54.000 -0.437 0.000 0.864 1029 D CB 0.851 41.537 40.800 -0.189 0.000 1.481 1029 D HN 0.381 nan 8.370 nan 0.000 0.509 1030 F N 2.211 121.808 119.950 -0.588 0.000 2.629 1030 F HA 0.565 5.094 4.527 0.003 0.000 0.316 1030 F C -1.852 173.857 175.800 -0.152 0.000 1.081 1030 F CA -1.723 55.979 58.000 -0.497 0.000 0.954 1030 F CB 1.813 40.312 39.000 -0.835 0.000 1.337 1030 F HN 0.126 nan 8.300 nan 0.000 0.474 1031 P HA 0.165 nan 4.420 nan 0.000 0.274 1031 P C -0.695 176.770 177.300 0.275 0.000 1.231 1031 P CA -0.196 63.021 63.100 0.194 0.000 0.790 1031 P CB 1.013 32.791 31.700 0.130 0.000 0.951 1032 C N 2.447 121.881 119.300 0.223 0.000 2.887 1032 C HA 0.232 4.695 4.460 0.004 0.000 0.240 1032 C C 2.051 177.098 174.990 0.096 0.000 1.872 1032 C CA -0.514 58.623 59.018 0.197 0.000 1.626 1032 C CB -0.888 26.972 27.740 0.201 0.000 3.115 1032 C HN 0.611 nan 8.230 nan 0.000 0.488 1033 R N 0.689 121.237 120.500 0.079 0.000 2.083 1033 R HA -0.104 4.238 4.340 0.004 0.000 0.237 1033 R C 1.877 178.167 176.300 -0.018 0.000 1.137 1033 R CA 1.365 57.484 56.100 0.031 0.000 0.951 1033 R CB -0.730 29.591 30.300 0.035 0.000 0.851 1033 R HN 0.468 nan 8.270 nan 0.000 0.434 1034 V N 1.690 121.597 119.914 -0.012 0.000 2.295 1034 V HA -0.231 3.891 4.120 0.004 0.000 0.246 1034 V C 2.686 178.595 176.094 -0.309 0.000 1.049 1034 V CA 1.910 64.157 62.300 -0.089 0.000 1.024 1034 V CB -0.944 30.884 31.823 0.008 0.000 0.648 1034 V HN 0.397 nan 8.190 nan 0.000 0.447 1035 A N -0.383 122.271 122.820 -0.277 0.000 1.978 1035 A HA -0.213 4.110 4.320 0.004 0.000 0.220 1035 A C 2.169 179.553 177.584 -0.334 0.000 1.170 1035 A CA 1.645 53.384 52.037 -0.497 0.000 0.636 1035 A CB -0.343 18.639 19.000 -0.029 0.000 0.810 1035 A HN 0.463 nan 8.150 nan 0.000 0.448 1036 K N -0.371 119.931 120.400 -0.163 0.000 2.459 1036 K HA 0.202 4.524 4.320 0.004 0.000 0.193 1036 K C 0.273 176.812 176.600 -0.102 0.000 1.030 1036 K CA -0.089 56.141 56.287 -0.095 0.000 1.026 1036 K CB -0.356 32.126 32.500 -0.030 0.000 0.809 1036 K HN 0.482 nan 8.250 nan 0.000 0.504 1037 L N 2.166 123.304 121.223 -0.141 0.000 2.543 1037 L HA -0.045 4.297 4.340 0.004 0.000 0.285 1037 L C -1.213 175.600 176.870 -0.094 0.000 1.236 1037 L CA -0.932 53.845 54.840 -0.105 0.000 0.871 1037 L CB -0.004 41.986 42.059 -0.116 0.000 1.121 1037 L HN -0.119 nan 8.230 nan 0.000 0.501 1038 P HA -0.193 nan 4.420 nan 0.000 0.216 1038 P C 1.000 178.278 177.300 -0.036 0.000 1.150 1038 P CA 1.298 64.376 63.100 -0.037 0.000 0.837 1038 P CB 0.080 31.768 31.700 -0.021 0.000 0.786 1039 K N -1.603 118.773 120.400 -0.040 0.000 2.504 1039 K HA 0.010 4.332 4.320 0.004 0.000 0.195 1039 K C 0.853 177.435 176.600 -0.029 0.000 1.036 1039 K CA 1.013 57.286 56.287 -0.024 0.000 0.984 1039 K CB -0.439 32.051 32.500 -0.015 0.000 0.788 1039 K HN 0.056 nan 8.250 nan 0.000 0.488 1040 N N 1.231 119.882 118.700 -0.081 0.000 2.187 1040 N HA 0.019 4.761 4.740 0.004 0.000 0.212 1040 N C 0.782 176.261 175.510 -0.052 0.000 1.152 1040 N CA 0.109 53.100 53.050 -0.098 0.000 0.872 1040 N CB 0.711 38.960 38.487 -0.396 0.000 1.025 1040 N HN 0.312 nan 8.380 nan 0.000 0.514 1041 K N 1.888 122.267 120.400 -0.035 0.000 2.032 1041 K HA -0.123 4.199 4.320 0.004 0.000 0.209 1041 K C 1.282 177.894 176.600 0.021 0.000 1.048 1041 K CA 1.493 57.774 56.287 -0.009 0.000 0.927 1041 K CB 0.090 32.586 32.500 -0.006 0.000 0.712 1041 K HN 0.128 nan 8.250 nan 0.000 0.441 1042 N N 0.509 119.227 118.700 0.030 0.000 2.521 1042 N HA -0.103 4.640 4.740 0.004 0.000 0.188 1042 N C 0.654 176.202 175.510 0.064 0.000 1.146 1042 N CA 0.583 53.656 53.050 0.038 0.000 0.893 1042 N CB 0.018 38.526 38.487 0.037 0.000 0.975 1042 N HN 0.249 nan 8.380 nan 0.000 0.451 1043 R N -0.671 119.893 120.500 0.106 0.000 2.362 1043 R HA 0.226 4.568 4.340 0.004 0.000 0.227 1043 R C -0.440 175.953 176.300 0.155 0.000 0.905 1043 R CA -0.190 56.007 56.100 0.160 0.000 1.067 1043 R CB 0.209 30.675 30.300 0.277 0.000 1.078 1043 R HN 0.159 nan 8.270 nan 0.000 0.516 1044 N N 1.047 119.818 118.700 0.119 0.000 2.408 1044 N HA 0.104 4.847 4.740 0.004 0.000 0.280 1044 N C 0.277 175.768 175.510 -0.032 0.000 1.002 1044 N CA -0.145 52.956 53.050 0.085 0.000 0.907 1044 N CB 2.080 40.635 38.487 0.112 0.000 1.161 1044 N HN 0.028 nan 8.380 nan 0.000 0.488 1045 R N 1.899 122.317 120.500 -0.136 0.000 2.115 1045 R HA -0.000 4.342 4.340 0.004 0.000 0.226 1045 R C -0.422 175.553 176.300 -0.541 0.000 1.100 1045 R CA 1.308 57.166 56.100 -0.404 0.000 0.980 1045 R CB 0.221 30.147 30.300 -0.622 0.000 0.875 1045 R HN 0.478 nan 8.270 nan 0.000 0.445 1046 Y N -0.886 119.436 120.300 0.037 0.000 2.442 1046 Y HA 0.324 4.876 4.550 0.004 0.000 0.344 1046 Y C 0.717 176.640 175.900 0.038 0.000 0.976 1046 Y CA -1.298 56.825 58.100 0.038 0.000 1.040 1046 Y CB 1.473 39.957 38.460 0.040 0.000 1.228 1046 Y HN -0.223 nan 8.280 nan 0.000 0.451 1047 R N 0.615 121.236 120.500 0.202 0.000 2.083 1047 R HA -0.149 4.193 4.340 0.004 0.000 0.237 1047 R C 0.036 176.400 176.300 0.107 0.000 1.137 1047 R CA 2.241 58.412 56.100 0.119 0.000 0.951 1047 R CB 0.094 30.450 30.300 0.093 0.000 0.851 1047 R HN 0.769 nan 8.270 nan 0.000 0.434 1048 D N -0.375 120.093 120.400 0.114 0.000 2.339 1048 D HA 0.065 4.707 4.640 0.004 0.000 0.217 1048 D C -0.330 176.017 176.300 0.078 0.000 1.050 1048 D CA 0.248 54.296 54.000 0.080 0.000 0.856 1048 D CB 0.701 41.534 40.800 0.054 0.000 0.922 1048 D HN -0.021 nan 8.370 nan 0.000 0.518 1049 V N 0.981 120.964 119.914 0.115 0.000 2.347 1049 V HA 0.404 4.526 4.120 0.004 0.000 0.280 1049 V C 0.023 176.168 176.094 0.085 0.000 1.021 1049 V CA -0.276 62.077 62.300 0.088 0.000 0.847 1049 V CB 1.567 33.465 31.823 0.125 0.000 0.990 1049 V HN -0.103 nan 8.190 nan 0.000 0.444 1050 S N 6.397 122.117 115.700 0.033 0.000 2.564 1050 S HA 0.663 5.135 4.470 0.004 0.000 0.274 1050 S C -2.886 171.688 174.600 -0.044 0.000 1.124 1050 S CA -0.999 57.231 58.200 0.050 0.000 0.869 1050 S CB 2.843 66.090 63.200 0.079 0.000 1.105 1050 S HN 0.607 nan 8.310 nan 0.000 0.472 1051 P HA 0.423 nan 4.420 nan 0.000 0.282 1051 P C -1.006 176.303 177.300 0.015 0.000 1.249 1051 P CA -0.510 62.544 63.100 -0.076 0.000 0.806 1051 P CB 0.311 32.015 31.700 0.005 0.000 0.984 1052 F N 1.145 121.118 119.950 0.038 0.000 2.506 1052 F HA 0.036 4.565 4.527 0.003 0.000 0.351 1052 F C 1.917 177.710 175.800 -0.012 0.000 1.136 1052 F CA 0.170 58.193 58.000 0.038 0.000 1.298 1052 F CB -0.424 38.572 39.000 -0.006 0.000 1.145 1052 F HN 0.300 nan 8.300 nan 0.000 0.593 1053 D N 0.337 120.887 120.400 0.250 0.000 2.117 1053 D HA -0.228 4.414 4.640 0.004 0.000 0.197 1053 D C 2.038 178.406 176.300 0.113 0.000 0.987 1053 D CA 2.143 56.236 54.000 0.156 0.000 0.829 1053 D CB -0.522 40.364 40.800 0.142 0.000 0.961 1053 D HN 0.805 nan 8.370 nan 0.000 0.460 1054 H N 0.207 119.305 119.070 0.048 0.000 2.456 1054 H HA 0.004 4.561 4.556 0.003 0.000 0.296 1054 H C 1.434 176.786 175.328 0.039 0.000 1.079 1054 H CA 1.897 57.932 56.048 -0.022 0.000 1.322 1054 H CB -0.123 29.517 29.762 -0.203 0.000 1.388 1054 H HN 0.076 nan 8.280 nan 0.000 0.538 1055 S N 0.158 115.633 115.700 -0.376 0.000 2.666 1055 S HA 0.133 4.605 4.470 0.004 0.000 0.239 1055 S C 0.770 175.341 174.600 -0.050 0.000 1.031 1055 S CA -0.686 57.416 58.200 -0.163 0.000 1.015 1055 S CB 0.008 63.098 63.200 -0.183 0.000 0.981 1055 S HN 0.627 nan 8.310 nan 0.000 0.547 1056 R N 1.406 121.890 120.500 -0.026 0.000 2.679 1056 R HA 0.268 4.611 4.340 0.004 0.000 0.268 1056 R C -0.338 175.953 176.300 -0.015 0.000 1.044 1056 R CA -0.384 55.711 56.100 -0.007 0.000 1.105 1056 R CB 0.140 30.473 30.300 0.055 0.000 0.989 1056 R HN 0.135 nan 8.270 nan 0.000 0.447 1057 I N 2.516 123.052 120.570 -0.058 0.000 2.395 1057 I HA 0.145 4.317 4.170 0.004 0.000 0.289 1057 I C 0.380 176.464 176.117 -0.055 0.000 1.023 1057 I CA -0.327 60.937 61.300 -0.060 0.000 1.350 1057 I CB 1.209 39.143 38.000 -0.110 0.000 1.409 1057 I HN 0.649 nan 8.210 nan 0.000 0.507 1058 K N 6.560 126.961 120.400 0.003 0.000 2.213 1058 K HA 0.526 4.848 4.320 0.004 0.000 0.270 1058 K C -0.624 176.007 176.600 0.052 0.000 1.002 1058 K CA -0.654 55.656 56.287 0.037 0.000 0.868 1058 K CB 1.745 34.296 32.500 0.085 0.000 1.093 1058 K HN 0.417 nan 8.250 nan 0.000 0.454 1059 L N 3.410 124.635 121.223 0.004 0.000 2.397 1059 L HA 0.157 4.500 4.340 0.004 0.000 0.271 1059 L C 0.403 177.360 176.870 0.145 0.000 1.148 1059 L CA -0.342 54.488 54.840 -0.018 0.000 0.825 1059 L CB 0.328 42.350 42.059 -0.061 0.000 1.117 1059 L HN 0.605 nan 8.230 nan 0.000 0.456 1060 H N 3.196 122.281 119.070 0.025 0.000 2.855 1060 H HA 0.138 4.697 4.556 0.005 0.000 0.238 1060 H C -0.465 174.885 175.328 0.037 0.000 1.847 1060 H CA -0.412 55.657 56.048 0.035 0.000 1.368 1060 H CB -0.037 29.756 29.762 0.052 0.000 1.758 1060 H HN 0.456 nan 8.280 nan 0.000 0.546 1061 Q N 0.917 120.799 119.800 0.137 0.000 2.709 1061 Q HA 0.082 4.424 4.340 0.004 0.000 0.232 1061 Q C 0.197 176.235 176.000 0.063 0.000 0.856 1061 Q CA -0.800 55.057 55.803 0.089 0.000 0.788 1061 Q CB 0.994 29.778 28.738 0.076 0.000 1.386 1061 Q HN 0.367 nan 8.270 nan 0.000 0.453 1062 E N 2.289 122.522 120.200 0.055 0.000 2.200 1062 E HA -0.402 3.950 4.350 0.004 0.000 0.211 1062 E C 0.925 177.547 176.600 0.035 0.000 1.048 1062 E CA 2.579 59.003 56.400 0.040 0.000 0.851 1062 E CB -0.462 29.258 29.700 0.032 0.000 0.747 1062 E HN 0.812 nan 8.360 nan 0.000 0.462 1063 D N 0.428 120.850 120.400 0.037 0.000 2.137 1063 D HA -0.212 4.431 4.640 0.004 0.000 0.193 1063 D C 0.406 176.723 176.300 0.028 0.000 0.993 1063 D CA 1.597 55.617 54.000 0.033 0.000 0.846 1063 D CB -0.631 40.193 40.800 0.039 0.000 0.990 1063 D HN 0.244 nan 8.370 nan 0.000 0.448 1064 N N 0.737 119.451 118.700 0.023 0.000 2.519 1064 N HA 0.058 4.801 4.740 0.004 0.000 0.286 1064 N C -0.891 174.617 175.510 -0.002 0.000 1.079 1064 N CA -0.414 52.644 53.050 0.014 0.000 0.878 1064 N CB 1.629 40.117 38.487 0.001 0.000 1.375 1064 N HN 0.077 nan 8.380 nan 0.000 0.514 1065 D N 2.036 122.455 120.400 0.031 0.000 2.328 1065 D HA -0.071 4.572 4.640 0.004 0.000 0.226 1065 D C 0.075 176.385 176.300 0.016 0.000 1.066 1065 D CA -0.052 53.964 54.000 0.026 0.000 0.861 1065 D CB -0.441 40.394 40.800 0.059 0.000 0.912 1065 D HN 0.386 nan 8.370 nan 0.000 0.521 1066 Y N 1.173 121.412 120.300 -0.101 0.000 2.377 1066 Y HA 0.420 4.972 4.550 0.003 0.000 0.330 1066 Y C -0.402 175.411 175.900 -0.146 0.000 1.108 1066 Y CA -0.744 57.296 58.100 -0.100 0.000 1.308 1066 Y CB 0.463 38.878 38.460 -0.075 0.000 1.216 1066 Y HN 0.013 nan 8.280 nan 0.000 0.518 1067 I N 6.377 126.313 120.570 -1.057 0.000 2.692 1067 I HA 0.234 4.406 4.170 0.004 0.000 0.293 1067 I C -1.308 174.186 176.117 -1.039 0.000 1.200 1067 I CA -0.838 59.931 61.300 -0.885 0.000 1.036 1067 I CB 1.475 39.237 38.000 -0.396 0.000 1.258 1067 I HN 0.632 nan 8.210 nan 0.000 0.421 1068 N N 6.485 124.748 118.700 -0.728 0.000 2.498 1068 N HA 0.454 5.196 4.740 0.004 0.000 0.277 1068 N C -1.111 174.270 175.510 -0.215 0.000 1.208 1068 N CA 0.396 53.240 53.050 -0.342 0.000 1.029 1068 N CB 0.252 38.688 38.487 -0.084 0.000 1.403 1068 N HN 0.684 nan 8.380 nan 0.000 0.500 1069 A N 1.719 124.416 122.820 -0.206 0.000 2.577 1069 A HA 0.619 4.941 4.320 0.004 0.000 0.297 1069 A C -1.016 176.504 177.584 -0.106 0.000 1.060 1069 A CA -0.668 51.284 52.037 -0.142 0.000 0.697 1069 A CB 1.081 19.976 19.000 -0.175 0.000 1.281 1069 A HN 0.366 nan 8.150 nan 0.000 0.402 1070 S N 0.208 115.866 115.700 -0.070 0.000 2.568 1070 S HA 0.712 5.185 4.470 0.004 0.000 0.293 1070 S C -1.127 173.459 174.600 -0.023 0.000 1.089 1070 S CA -0.535 57.640 58.200 -0.041 0.000 0.945 1070 S CB 1.661 64.845 63.200 -0.027 0.000 1.077 1070 S HN 1.257 nan 8.310 nan 0.000 0.485 1071 L N 2.768 123.984 121.223 -0.011 0.000 2.280 1071 L HA 0.642 4.985 4.340 0.004 0.000 0.287 1071 L C -1.585 175.226 176.870 -0.098 0.000 1.023 1071 L CA -0.352 54.467 54.840 -0.036 0.000 0.819 1071 L CB 0.325 42.364 42.059 -0.033 0.000 1.212 1071 L HN 0.486 nan 8.230 nan 0.000 0.420 1072 I N 5.987 126.466 120.570 -0.152 0.000 2.336 1072 I HA 0.488 4.661 4.170 0.004 0.000 0.292 1072 I C -0.105 175.707 176.117 -0.509 0.000 0.991 1072 I CA -0.208 60.832 61.300 -0.434 0.000 1.227 1072 I CB 1.105 39.073 38.000 -0.052 0.000 1.366 1072 I HN 0.418 nan 8.210 nan 0.000 0.466 1073 K N 7.638 127.439 120.400 -0.997 0.000 2.535 1073 K HA 0.454 4.776 4.320 0.004 0.000 0.253 1073 K C -1.420 175.005 176.600 -0.292 0.000 0.953 1073 K CA -0.635 55.371 56.287 -0.468 0.000 0.863 1073 K CB 1.169 33.496 32.500 -0.289 0.000 1.111 1073 K HN 0.362 nan 8.250 nan 0.000 0.431 1074 M N 4.914 124.444 119.600 -0.115 0.000 2.152 1074 M HA 0.194 4.677 4.480 0.004 0.000 0.354 1074 M C 1.080 177.388 176.300 0.014 0.000 1.173 1074 M CA -0.379 54.930 55.300 0.016 0.000 1.110 1074 M CB 0.882 33.527 32.600 0.076 0.000 1.366 1074 M HN 0.425 nan 8.290 nan 0.000 0.415 1075 E N 1.848 122.077 120.200 0.049 0.000 2.035 1075 E HA -0.245 4.107 4.350 0.004 0.000 0.204 1075 E C 1.443 178.059 176.600 0.026 0.000 1.025 1075 E CA 1.660 58.083 56.400 0.039 0.000 0.835 1075 E CB 0.026 29.764 29.700 0.064 0.000 0.764 1075 E HN 0.704 nan 8.360 nan 0.000 0.457 1076 E N 0.265 120.489 120.200 0.039 0.000 2.051 1076 E HA -0.143 4.209 4.350 0.004 0.000 0.192 1076 E C 1.969 178.581 176.600 0.020 0.000 0.991 1076 E CA 1.002 57.419 56.400 0.028 0.000 0.799 1076 E CB -0.064 29.657 29.700 0.035 0.000 0.748 1076 E HN 0.188 nan 8.360 nan 0.000 0.449 1077 A N 0.355 123.191 122.820 0.026 0.000 2.070 1077 A HA -0.189 4.133 4.320 0.004 0.000 0.220 1077 A C 1.159 178.738 177.584 -0.008 0.000 1.159 1077 A CA 1.321 53.370 52.037 0.019 0.000 0.656 1077 A CB -0.337 18.689 19.000 0.043 0.000 0.800 1077 A HN 0.514 nan 8.150 nan 0.000 0.453 1078 Q N -2.050 117.738 119.800 -0.020 0.000 2.461 1078 Q HA -0.182 4.160 4.340 0.004 0.000 0.298 1078 Q C -0.148 175.798 176.000 -0.090 0.000 1.399 1078 Q CA 0.958 56.733 55.803 -0.045 0.000 0.778 1078 Q CB -1.113 27.605 28.738 -0.033 0.000 1.130 1078 Q HN 0.781 nan 8.270 nan 0.000 0.407 1079 R N -0.149 120.269 120.500 -0.137 0.000 2.643 1079 R HA 0.714 5.056 4.340 0.004 0.000 0.269 1079 R C -1.527 174.537 176.300 -0.394 0.000 1.037 1079 R CA -0.376 55.555 56.100 -0.283 0.000 0.894 1079 R CB 2.097 32.199 30.300 -0.330 0.000 1.238 1079 R HN 0.098 nan 8.270 nan 0.000 0.459 1080 S N 1.421 116.817 115.700 -0.506 0.000 2.568 1080 S HA 0.715 5.188 4.470 0.004 0.000 0.293 1080 S C -1.813 172.436 174.600 -0.585 0.000 1.089 1080 S CA -0.448 57.496 58.200 -0.426 0.000 0.945 1080 S CB 1.085 64.147 63.200 -0.230 0.000 1.077 1080 S HN 0.432 nan 8.310 nan 0.000 0.485 1081 Y N 0.267 120.519 120.300 -0.080 0.000 2.571 1081 Y HA 0.579 5.131 4.550 0.003 0.000 0.341 1081 Y C -0.581 175.279 175.900 -0.066 0.000 1.076 1081 Y CA -0.924 57.151 58.100 -0.042 0.000 1.029 1081 Y CB 1.104 39.565 38.460 0.002 0.000 1.308 1081 Y HN 0.419 nan 8.280 nan 0.000 0.461 1082 I N 3.468 124.107 120.570 0.115 0.000 2.382 1082 I HA 0.316 4.488 4.170 0.004 0.000 0.286 1082 I C -1.355 174.780 176.117 0.030 0.000 1.002 1082 I CA -0.655 60.657 61.300 0.020 0.000 1.135 1082 I CB 1.211 39.179 38.000 -0.053 0.000 1.288 1082 I HN 0.307 nan 8.210 nan 0.000 0.448 1083 L N 6.147 127.378 121.223 0.014 0.000 2.295 1083 L HA 0.609 4.952 4.340 0.004 0.000 0.285 1083 L C 0.196 177.056 176.870 -0.017 0.000 1.035 1083 L CA 0.213 55.055 54.840 0.004 0.000 0.806 1083 L CB 1.703 43.758 42.059 -0.007 0.000 1.214 1083 L HN 0.531 nan 8.230 nan 0.000 0.426 1084 T N 1.347 115.906 114.554 0.008 0.000 2.812 1084 T HA 0.497 4.849 4.350 0.004 0.000 0.294 1084 T C -1.013 173.702 174.700 0.025 0.000 1.159 1084 T CA -0.635 61.459 62.100 -0.010 0.000 1.008 1084 T CB 1.373 70.222 68.868 -0.032 0.000 1.289 1084 T HN 0.654 nan 8.240 nan 0.000 0.514 1085 Q N 0.622 120.412 119.800 -0.017 0.000 2.249 1085 Q HA 0.623 4.966 4.340 0.004 0.000 0.226 1085 Q C 0.478 176.418 176.000 -0.100 0.000 0.983 1085 Q CA -0.968 54.830 55.803 -0.010 0.000 0.930 1085 Q CB 0.283 29.003 28.738 -0.030 0.000 1.193 1085 Q HN 0.752 nan 8.270 nan 0.000 0.508 1086 G N 1.606 110.372 108.800 -0.056 0.000 2.343 1086 G HA2 0.311 4.273 3.960 0.004 0.000 0.254 1086 G HA3 0.311 4.273 3.960 0.004 0.000 0.254 1086 G C -2.395 172.310 174.900 -0.325 0.000 1.277 1086 G CA -0.998 43.990 45.100 -0.187 0.000 0.909 1086 G HN 0.431 nan 8.290 nan 0.000 0.502 1087 P HA 0.033 nan 4.420 nan 0.000 0.265 1087 P C 0.147 177.310 177.300 -0.228 0.000 1.187 1087 P CA 0.139 62.960 63.100 -0.464 0.000 0.766 1087 P CB 0.677 31.910 31.700 -0.778 0.000 0.820 1088 L N 5.850 126.978 121.223 -0.158 0.000 2.416 1088 L HA 0.287 4.629 4.340 0.004 0.000 0.262 1088 L C -1.192 175.640 176.870 -0.064 0.000 1.093 1088 L CA -1.956 52.827 54.840 -0.096 0.000 0.801 1088 L CB 0.733 42.749 42.059 -0.072 0.000 1.191 1088 L HN 0.297 nan 8.230 nan 0.000 0.459 1089 P HA -0.158 nan 4.420 nan 0.000 0.216 1089 P C 0.594 177.888 177.300 -0.009 0.000 1.150 1089 P CA 1.237 64.331 63.100 -0.010 0.000 0.843 1089 P CB 0.021 31.716 31.700 -0.008 0.000 0.787 1090 N N -1.835 116.854 118.700 -0.019 0.000 2.336 1090 N HA -0.009 4.733 4.740 0.004 0.000 0.189 1090 N C 0.719 176.169 175.510 -0.099 0.000 1.113 1090 N CA 1.024 54.059 53.050 -0.026 0.000 0.858 1090 N CB -0.827 37.670 38.487 0.017 0.000 0.970 1090 N HN 0.178 nan 8.380 nan 0.000 0.471 1091 T N -4.128 110.368 114.554 -0.097 0.000 3.132 1091 T HA 0.234 4.586 4.350 0.004 0.000 0.274 1091 T C 1.464 176.041 174.700 -0.205 0.000 1.011 1091 T CA -0.303 61.717 62.100 -0.132 0.000 0.899 1091 T CB -0.898 68.014 68.868 0.073 0.000 1.089 1091 T HN 0.104 nan 8.240 nan 0.000 0.543 1092 C N 1.518 120.707 119.300 -0.184 0.000 2.440 1092 C HA 0.182 4.644 4.460 0.004 0.000 0.278 1092 C C 3.042 177.814 174.990 -0.364 0.000 1.295 1092 C CA 0.825 59.719 59.018 -0.207 0.000 1.738 1092 C CB -1.325 26.438 27.740 0.037 0.000 1.987 1092 C HN 0.775 nan 8.230 nan 0.000 0.492 1093 G N 0.059 108.657 108.800 -0.338 0.000 2.421 1093 G HA2 -0.217 3.745 3.960 0.004 0.000 0.216 1093 G HA3 -0.217 3.745 3.960 0.004 0.000 0.216 1093 G C 1.271 176.049 174.900 -0.203 0.000 1.171 1093 G CA 0.965 45.879 45.100 -0.311 0.000 0.775 1093 G HN 0.604 nan 8.290 nan 0.000 0.543 1094 H N -0.420 118.608 119.070 -0.070 0.000 2.352 1094 H HA -0.068 4.491 4.556 0.005 0.000 0.299 1094 H C 2.183 177.431 175.328 -0.132 0.000 1.097 1094 H CA 1.068 57.067 56.048 -0.081 0.000 1.311 1094 H CB -0.802 28.909 29.762 -0.084 0.000 1.377 1094 H HN 0.420 nan 8.280 nan 0.000 0.504 1095 F N 0.315 120.098 119.950 -0.278 0.000 2.102 1095 F HA -0.208 4.322 4.527 0.004 0.000 0.298 1095 F C 1.987 177.486 175.800 -0.502 0.000 1.105 1095 F CA 1.345 59.052 58.000 -0.488 0.000 1.239 1095 F CB -0.547 37.995 39.000 -0.764 0.000 0.991 1095 F HN 0.037 nan 8.300 nan 0.000 0.474 1096 W N 0.889 122.160 121.300 -0.050 0.000 2.425 1096 W HA -0.071 4.591 4.660 0.004 0.000 0.277 1096 W C 2.544 179.036 176.519 -0.045 0.000 1.231 1096 W CA 1.100 58.402 57.345 -0.071 0.000 1.248 1096 W CB -0.514 28.878 29.460 -0.112 0.000 1.117 1096 W HN 0.140 nan 8.180 nan 0.000 0.568 1097 E N 0.828 121.092 120.200 0.106 0.000 2.077 1097 E HA -0.298 4.054 4.350 0.004 0.000 0.193 1097 E C 2.130 178.738 176.600 0.015 0.000 0.989 1097 E CA 1.661 58.119 56.400 0.097 0.000 0.800 1097 E CB -0.338 29.398 29.700 0.060 0.000 0.746 1097 E HN 0.326 nan 8.360 nan 0.000 0.452 1098 M N 0.266 119.788 119.600 -0.130 0.000 2.117 1098 M HA -0.148 4.334 4.480 0.004 0.000 0.262 1098 M C 2.062 178.235 176.300 -0.212 0.000 1.065 1098 M CA 1.287 56.453 55.300 -0.223 0.000 1.114 1098 M CB 0.058 32.459 32.600 -0.332 0.000 1.361 1098 M HN 0.051 nan 8.290 nan 0.000 0.408 1099 V N 0.056 119.823 119.914 -0.246 0.000 2.343 1099 V HA -0.300 3.822 4.120 0.004 0.000 0.247 1099 V C 2.120 178.224 176.094 0.016 0.000 1.051 1099 V CA 2.071 64.287 62.300 -0.141 0.000 1.036 1099 V CB -0.972 30.841 31.823 -0.017 0.000 0.654 1099 V HN 0.752 nan 8.190 nan 0.000 0.451 1100 W N 1.257 122.552 121.300 -0.008 0.000 2.381 1100 W HA -0.156 4.505 4.660 0.003 0.000 0.321 1100 W C 2.424 178.922 176.519 -0.034 0.000 1.196 1100 W CA 2.045 59.399 57.345 0.015 0.000 1.304 1100 W CB -0.319 29.164 29.460 0.039 0.000 1.166 1100 W HN 0.352 nan 8.180 nan 0.000 0.473 1101 E N -0.167 120.080 120.200 0.079 0.000 2.118 1101 E HA -0.270 4.082 4.350 0.004 0.000 0.195 1101 E C 1.878 178.413 176.600 -0.109 0.000 0.992 1101 E CA 1.190 57.544 56.400 -0.078 0.000 0.804 1101 E CB -0.351 29.080 29.700 -0.448 0.000 0.741 1101 E HN 0.250 nan 8.360 nan 0.000 0.458 1102 Q N 0.277 120.000 119.800 -0.128 0.000 2.403 1102 Q HA 0.034 4.377 4.340 0.004 0.000 0.203 1102 Q C 0.003 175.939 176.000 -0.108 0.000 0.932 1102 Q CA 0.257 56.001 55.803 -0.100 0.000 0.945 1102 Q CB 0.274 28.945 28.738 -0.112 0.000 1.045 1102 Q HN 0.245 nan 8.270 nan 0.000 0.511 1103 K N 0.516 120.813 120.400 -0.170 0.000 3.071 1103 K HA -0.115 4.208 4.320 0.004 0.000 0.265 1103 K C -0.530 176.006 176.600 -0.107 0.000 1.060 1103 K CA 0.385 56.554 56.287 -0.196 0.000 0.767 1103 K CB -1.991 30.418 32.500 -0.152 0.000 1.241 1103 K HN 0.106 nan 8.250 nan 0.000 0.486 1104 S N 0.211 115.854 115.700 -0.095 0.000 2.585 1104 S HA 0.186 4.659 4.470 0.004 0.000 0.273 1104 S C 1.339 175.910 174.600 -0.049 0.000 1.339 1104 S CA -0.256 57.914 58.200 -0.050 0.000 1.028 1104 S CB 1.529 64.693 63.200 -0.059 0.000 0.906 1104 S HN 0.577 nan 8.310 nan 0.000 0.528 1105 R N 0.694 121.148 120.500 -0.076 0.000 2.344 1105 R HA 0.356 4.698 4.340 0.004 0.000 0.209 1105 R C 0.579 176.870 176.300 -0.015 0.000 0.886 1105 R CA 0.133 56.146 56.100 -0.146 0.000 1.040 1105 R CB 0.258 30.223 30.300 -0.560 0.000 1.114 1105 R HN 0.588 nan 8.270 nan 0.000 0.547 1106 G N 0.335 109.166 108.800 0.052 0.000 2.571 1106 G HA2 0.564 4.526 3.960 0.004 0.000 0.304 1106 G HA3 0.564 4.526 3.960 0.004 0.000 0.304 1106 G C -1.691 173.328 174.900 0.198 0.000 1.314 1106 G CA -0.558 44.654 45.100 0.186 0.000 0.975 1106 G HN -0.001 nan 8.290 nan 0.000 0.485 1107 V N 1.412 121.501 119.914 0.291 0.000 2.444 1107 V HA 0.457 4.579 4.120 0.004 0.000 0.294 1107 V C -0.327 175.875 176.094 0.180 0.000 1.022 1107 V CA -0.692 61.772 62.300 0.273 0.000 0.850 1107 V CB 1.687 33.804 31.823 0.490 0.000 0.992 1107 V HN 0.569 nan 8.190 nan 0.000 0.426 1108 V N 6.220 126.175 119.914 0.069 0.000 2.347 1108 V HA 0.482 4.605 4.120 0.004 0.000 0.280 1108 V C -0.039 175.939 176.094 -0.194 0.000 1.021 1108 V CA -0.317 61.949 62.300 -0.056 0.000 0.847 1108 V CB 1.484 33.129 31.823 -0.295 0.000 0.990 1108 V HN 0.908 nan 8.190 nan 0.000 0.444 1109 M N 5.651 125.107 119.600 -0.240 0.000 2.205 1109 M HA 0.521 5.003 4.480 0.004 0.000 0.344 1109 M C -0.445 175.735 176.300 -0.200 0.000 1.085 1109 M CA -0.350 54.670 55.300 -0.467 0.000 1.001 1109 M CB 1.251 33.592 32.600 -0.433 0.000 1.626 1109 M HN 0.585 nan 8.290 nan 0.000 0.442 1110 L N 4.001 125.036 121.223 -0.314 0.000 2.858 1110 L HA 0.273 4.615 4.340 0.004 0.000 0.251 1110 L C 0.395 177.214 176.870 -0.086 0.000 1.149 1110 L CA -0.436 54.302 54.840 -0.170 0.000 0.955 1110 L CB -0.429 41.367 42.059 -0.437 0.000 1.289 1110 L HN 0.716 nan 8.230 nan 0.000 0.542 1111 N N 0.195 118.876 118.700 -0.031 0.000 3.061 1111 N HA 0.508 5.250 4.740 0.004 0.000 0.346 1111 N C -0.527 175.145 175.510 0.271 0.000 1.392 1111 N CA -0.732 52.352 53.050 0.057 0.000 0.762 1111 N CB 1.339 39.829 38.487 0.005 0.000 1.367 1111 N HN -0.112 nan 8.380 nan 0.000 0.607 1112 R N -0.473 120.167 120.500 0.234 0.000 2.771 1112 R HA 0.306 4.648 4.340 0.004 0.000 0.274 1112 R C 1.320 177.754 176.300 0.223 0.000 0.987 1112 R CA -0.768 55.515 56.100 0.305 0.000 0.908 1112 R CB 2.172 32.611 30.300 0.231 0.000 1.213 1112 R HN 0.429 nan 8.270 nan 0.000 0.468 1113 V N -0.735 119.315 119.914 0.228 0.000 2.380 1113 V HA -0.081 4.042 4.120 0.004 0.000 0.251 1113 V C 0.946 177.100 176.094 0.099 0.000 1.063 1113 V CA 1.556 63.942 62.300 0.144 0.000 1.055 1113 V CB -0.353 31.516 31.823 0.077 0.000 0.657 1113 V HN 0.579 nan 8.190 nan 0.000 0.455 1114 M N 0.975 120.633 119.600 0.097 0.000 2.204 1114 M HA 0.568 5.050 4.480 0.004 0.000 0.293 1114 M C -1.436 174.913 176.300 0.081 0.000 0.994 1114 M CA -0.173 55.172 55.300 0.075 0.000 0.925 1114 M CB 1.744 34.376 32.600 0.053 0.000 1.577 1114 M HN 0.505 nan 8.290 nan 0.000 0.439 1115 E N 3.292 123.540 120.200 0.080 0.000 2.272 1115 E HA 0.373 4.725 4.350 0.004 0.000 0.269 1115 E C -0.843 175.801 176.600 0.073 0.000 0.877 1115 E CA -0.721 55.726 56.400 0.079 0.000 0.755 1115 E CB 1.785 31.535 29.700 0.083 0.000 1.192 1115 E HN 0.598 nan 8.360 nan 0.000 0.422 1116 K N 1.267 121.707 120.400 0.067 0.000 3.311 1116 K HA -0.270 4.052 4.320 0.004 0.000 0.270 1116 K C 0.537 177.170 176.600 0.055 0.000 0.927 1116 K CA 0.659 56.982 56.287 0.061 0.000 0.706 1116 K CB -1.568 30.974 32.500 0.070 0.000 1.418 1116 K HN 1.059 nan 8.250 nan 0.000 0.459 1117 G N -0.591 108.238 108.800 0.048 0.000 2.179 1117 G HA2 -0.346 3.617 3.960 0.004 0.000 0.257 1117 G HA3 -0.346 3.617 3.960 0.004 0.000 0.257 1117 G C -0.134 174.793 174.900 0.045 0.000 1.010 1117 G CA 0.529 45.654 45.100 0.042 0.000 0.736 1117 G HN 0.661 nan 8.290 nan 0.000 0.513 1118 S N -1.541 114.192 115.700 0.055 0.000 2.541 1118 S HA 0.664 5.137 4.470 0.004 0.000 0.271 1118 S C -0.550 174.087 174.600 0.063 0.000 1.133 1118 S CA -0.813 57.422 58.200 0.059 0.000 0.876 1118 S CB 0.994 64.238 63.200 0.073 0.000 1.105 1118 S HN 0.642 nan 8.310 nan 0.000 0.470 1119 L N 4.436 125.690 121.223 0.052 0.000 2.369 1119 L HA 0.438 4.780 4.340 0.004 0.000 0.279 1119 L C 1.177 178.083 176.870 0.060 0.000 1.108 1119 L CA 0.543 55.411 54.840 0.047 0.000 0.852 1119 L CB 0.541 42.615 42.059 0.024 0.000 1.169 1119 L HN 0.631 nan 8.230 nan 0.000 0.452 1120 K N 1.520 121.966 120.400 0.078 0.000 2.360 1120 K HA 0.266 4.589 4.320 0.004 0.000 0.196 1120 K C -0.161 176.485 176.600 0.077 0.000 1.049 1120 K CA 0.215 56.562 56.287 0.099 0.000 1.049 1120 K CB 0.448 33.018 32.500 0.118 0.000 0.881 1120 K HN 0.542 nan 8.250 nan 0.000 0.542 1121 C N 0.344 119.688 119.300 0.073 0.000 3.181 1121 C HA 0.672 5.135 4.460 0.004 0.000 0.362 1121 C C -0.870 174.161 174.990 0.068 0.000 1.125 1121 C CA -0.935 58.130 59.018 0.079 0.000 1.265 1121 C CB 0.987 28.843 27.740 0.194 0.000 1.632 1121 C HN 0.459 nan 8.230 nan 0.000 0.525 1122 A N 2.989 125.836 122.820 0.045 0.000 2.304 1122 A HA 0.590 4.912 4.320 0.004 0.000 0.271 1122 A C -0.054 177.570 177.584 0.066 0.000 1.091 1122 A CA -0.024 52.034 52.037 0.034 0.000 0.812 1122 A CB 0.353 19.360 19.000 0.011 0.000 1.056 1122 A HN 0.939 nan 8.150 nan 0.000 0.489 1123 Q N 1.014 120.772 119.800 -0.070 0.000 2.664 1123 Q HA 0.248 4.590 4.340 0.004 0.000 0.223 1123 Q C -0.159 175.738 176.000 -0.172 0.000 1.298 1123 Q CA 0.245 55.858 55.803 -0.316 0.000 0.965 1123 Q CB -0.624 27.895 28.738 -0.364 0.000 1.510 1123 Q HN 0.713 nan 8.270 nan 0.000 0.567 1124 Y N 0.882 121.159 120.300 -0.037 0.000 2.529 1124 Y HA 0.275 4.828 4.550 0.005 0.000 0.290 1124 Y C -0.397 175.843 175.900 0.567 0.000 1.177 1124 Y CA -1.025 57.212 58.100 0.228 0.000 1.305 1124 Y CB -0.290 38.180 38.460 0.015 0.000 1.047 1124 Y HN 0.397 nan 8.280 nan 0.000 0.522 1125 W N 0.107 121.330 121.300 -0.127 0.000 2.864 1125 W HA 0.773 5.436 4.660 0.003 0.000 0.343 1125 W C -3.272 173.172 176.519 -0.124 0.000 1.109 1125 W CA -3.454 53.839 57.345 -0.087 0.000 1.192 1125 W CB 0.664 29.936 29.460 -0.312 0.000 1.426 1125 W HN -0.373 nan 8.180 nan 0.000 0.529 1126 P HA 0.066 nan 4.420 nan 0.000 0.271 1126 P C 0.164 177.377 177.300 -0.144 0.000 1.220 1126 P CA 0.255 63.270 63.100 -0.141 0.000 0.768 1126 P CB 1.098 32.766 31.700 -0.054 0.000 0.848 1127 Q N 1.429 121.093 119.800 -0.228 0.000 2.398 1127 Q HA 0.046 4.389 4.340 0.004 0.000 0.204 1127 Q C 0.112 176.098 176.000 -0.024 0.000 0.932 1127 Q CA 0.878 56.610 55.803 -0.118 0.000 0.916 1127 Q CB 0.270 28.903 28.738 -0.175 0.000 1.024 1127 Q HN 0.444 nan 8.270 nan 0.000 0.504 1128 K N 0.118 120.489 120.400 -0.048 0.000 2.376 1128 K HA 0.157 4.480 4.320 0.004 0.000 0.257 1128 K C -0.209 176.375 176.600 -0.027 0.000 0.939 1128 K CA -0.299 55.970 56.287 -0.030 0.000 0.809 1128 K CB 1.722 34.195 32.500 -0.044 0.000 1.121 1128 K HN -0.126 nan 8.250 nan 0.000 0.425 1129 E N 1.676 121.868 120.200 -0.013 0.000 2.114 1129 E HA -0.272 4.080 4.350 0.004 0.000 0.199 1129 E C 1.514 178.095 176.600 -0.031 0.000 1.008 1129 E CA 1.791 58.181 56.400 -0.016 0.000 0.810 1129 E CB 0.146 29.840 29.700 -0.011 0.000 0.739 1129 E HN 0.608 nan 8.360 nan 0.000 0.456 1130 E N 0.567 120.747 120.200 -0.033 0.000 2.418 1130 E HA -0.118 4.234 4.350 0.004 0.000 0.197 1130 E C -0.071 176.497 176.600 -0.052 0.000 1.026 1130 E CA 0.701 57.077 56.400 -0.039 0.000 0.862 1130 E CB 0.099 29.779 29.700 -0.034 0.000 0.799 1130 E HN 0.048 nan 8.360 nan 0.000 0.518 1131 K N 2.926 123.289 120.400 -0.061 0.000 2.499 1131 K HA 0.137 4.460 4.320 0.004 0.000 0.215 1131 K C 0.270 176.811 176.600 -0.098 0.000 1.041 1131 K CA -0.258 55.981 56.287 -0.079 0.000 1.031 1131 K CB 1.087 33.537 32.500 -0.083 0.000 1.479 1131 K HN 0.219 nan 8.250 nan 0.000 0.518 1132 E N 2.923 123.061 120.200 -0.105 0.000 2.342 1132 E HA 0.271 4.623 4.350 0.004 0.000 0.257 1132 E C -0.490 175.995 176.600 -0.191 0.000 1.150 1132 E CA -0.319 56.002 56.400 -0.132 0.000 0.926 1132 E CB 0.978 30.606 29.700 -0.119 0.000 1.074 1132 E HN 0.242 nan 8.360 nan 0.000 0.449 1133 M N 1.249 120.688 119.600 -0.270 0.000 2.456 1133 M HA 0.485 4.967 4.480 0.004 0.000 0.324 1133 M C -0.452 175.480 176.300 -0.613 0.000 1.124 1133 M CA -0.670 54.364 55.300 -0.442 0.000 0.959 1133 M CB 1.920 34.203 32.600 -0.529 0.000 1.692 1133 M HN 0.395 nan 8.290 nan 0.000 0.444 1134 I N 2.130 122.334 120.570 -0.610 0.000 2.465 1134 I HA 0.403 4.575 4.170 0.004 0.000 0.291 1134 I C -1.366 174.399 176.117 -0.587 0.000 1.014 1134 I CA -0.491 60.500 61.300 -0.514 0.000 1.093 1134 I CB 1.665 39.515 38.000 -0.251 0.000 1.267 1134 I HN 0.523 nan 8.210 nan 0.000 0.431 1135 F N 4.860 124.796 119.950 -0.022 0.000 2.293 1135 F HA 0.328 4.858 4.527 0.004 0.000 0.370 1135 F C 1.449 177.242 175.800 -0.012 0.000 1.090 1135 F CA -0.645 57.357 58.000 0.003 0.000 1.133 1135 F CB 0.557 39.591 39.000 0.056 0.000 1.360 1135 F HN 0.490 nan 8.300 nan 0.000 0.489 1136 E N 1.308 121.559 120.200 0.085 0.000 2.110 1136 E HA -0.216 4.137 4.350 0.004 0.000 0.193 1136 E C 1.517 178.157 176.600 0.066 0.000 0.988 1136 E CA 1.586 58.013 56.400 0.046 0.000 0.804 1136 E CB -0.092 29.617 29.700 0.016 0.000 0.745 1136 E HN 0.671 nan 8.360 nan 0.000 0.458 1137 D N 1.410 121.862 120.400 0.085 0.000 2.104 1137 D HA -0.153 4.490 4.640 0.004 0.000 0.194 1137 D C 1.805 178.157 176.300 0.086 0.000 0.994 1137 D CA 1.965 56.011 54.000 0.076 0.000 0.830 1137 D CB -0.681 40.154 40.800 0.060 0.000 0.959 1137 D HN 0.232 nan 8.370 nan 0.000 0.452 1138 T N -3.056 111.562 114.554 0.108 0.000 3.186 1138 T HA 0.106 4.459 4.350 0.004 0.000 0.257 1138 T C 0.604 175.340 174.700 0.059 0.000 1.029 1138 T CA -0.154 62.001 62.100 0.091 0.000 0.916 1138 T CB -1.054 67.874 68.868 0.100 0.000 1.041 1138 T HN 0.341 nan 8.240 nan 0.000 0.562 1139 N N 0.715 119.448 118.700 0.055 0.000 2.707 1139 N HA -0.144 4.599 4.740 0.004 0.000 0.253 1139 N C -0.904 174.591 175.510 -0.025 0.000 0.998 1139 N CA 0.092 53.145 53.050 0.005 0.000 0.751 1139 N CB -0.823 37.647 38.487 -0.030 0.000 0.920 1139 N HN 0.570 nan 8.380 nan 0.000 0.539 1140 L N 0.240 121.504 121.223 0.068 0.000 2.301 1140 L HA 0.551 4.893 4.340 0.004 0.000 0.264 1140 L C -0.058 176.850 176.870 0.062 0.000 1.016 1140 L CA -0.757 54.120 54.840 0.062 0.000 0.821 1140 L CB 2.034 44.209 42.059 0.193 0.000 1.346 1140 L HN 0.044 nan 8.230 nan 0.000 0.429 1141 K N 1.759 122.150 120.400 -0.014 0.000 2.482 1141 K HA 0.644 4.966 4.320 0.004 0.000 0.251 1141 K C -2.026 174.511 176.600 -0.103 0.000 0.936 1141 K CA -0.637 55.586 56.287 -0.106 0.000 0.791 1141 K CB 2.198 34.632 32.500 -0.109 0.000 1.213 1141 K HN 0.364 nan 8.250 nan 0.000 0.428 1142 L N 2.722 123.834 121.223 -0.185 0.000 2.381 1142 L HA 0.565 4.907 4.340 0.004 0.000 0.274 1142 L C -1.536 175.236 176.870 -0.164 0.000 0.988 1142 L CA 0.148 54.868 54.840 -0.200 0.000 0.824 1142 L CB 2.286 44.176 42.059 -0.283 0.000 1.263 1142 L HN 0.683 nan 8.230 nan 0.000 0.410 1143 T N 5.461 119.945 114.554 -0.116 0.000 2.881 1143 T HA 0.395 4.747 4.350 0.004 0.000 0.290 1143 T C -0.725 173.948 174.700 -0.046 0.000 1.000 1143 T CA -0.489 61.565 62.100 -0.077 0.000 0.978 1143 T CB 1.575 70.407 68.868 -0.060 0.000 0.997 1143 T HN 0.585 nan 8.240 nan 0.000 0.443 1144 L N 4.956 126.167 121.223 -0.021 0.000 2.367 1144 L HA 0.256 4.599 4.340 0.004 0.000 0.275 1144 L C 0.094 176.963 176.870 -0.001 0.000 1.129 1144 L CA -0.290 54.556 54.840 0.011 0.000 0.839 1144 L CB 0.367 42.456 42.059 0.050 0.000 1.133 1144 L HN 0.648 nan 8.230 nan 0.000 0.453 1145 I N 2.435 123.005 120.570 -0.000 0.000 2.947 1145 I HA 0.085 4.258 4.170 0.004 0.000 0.263 1145 I C 1.037 177.155 176.117 0.001 0.000 1.130 1145 I CA 0.737 62.036 61.300 -0.002 0.000 1.448 1145 I CB -0.335 37.663 38.000 -0.002 0.000 1.222 1145 I HN 0.648 nan 8.210 nan 0.000 0.453 1146 S N 0.021 115.722 115.700 0.002 0.000 2.671 1146 S HA 0.679 5.151 4.470 0.004 0.000 0.277 1146 S C -0.782 173.823 174.600 0.007 0.000 1.165 1146 S CA -0.728 57.474 58.200 0.003 0.000 0.822 1146 S CB 3.135 66.335 63.200 -0.001 0.000 1.150 1146 S HN 0.210 nan 8.310 nan 0.000 0.479 1147 E N 0.112 120.317 120.200 0.009 0.000 2.415 1147 E HA 0.285 4.637 4.350 0.004 0.000 0.302 1147 E C -2.465 174.139 176.600 0.006 0.000 0.907 1147 E CA -0.231 56.180 56.400 0.017 0.000 0.798 1147 E CB 1.483 31.210 29.700 0.046 0.000 1.315 1147 E HN 0.610 nan 8.360 nan 0.000 0.396 1148 D N 5.587 125.987 120.400 -0.001 0.000 2.472 1148 D HA 0.296 4.939 4.640 0.004 0.000 0.234 1148 D C -0.494 175.780 176.300 -0.044 0.000 1.088 1148 D CA -0.394 53.595 54.000 -0.018 0.000 0.882 1148 D CB 0.472 41.267 40.800 -0.008 0.000 1.037 1148 D HN 0.435 nan 8.370 nan 0.000 0.520 1149 I N 4.078 124.611 120.570 -0.061 0.000 2.452 1149 I HA 0.127 4.299 4.170 0.004 0.000 0.287 1149 I C 1.065 177.059 176.117 -0.206 0.000 1.079 1149 I CA -0.159 61.077 61.300 -0.106 0.000 1.387 1149 I CB 0.481 38.439 38.000 -0.071 0.000 1.404 1149 I HN 0.094 nan 8.210 nan 0.000 0.522 1150 K N 3.611 123.798 120.400 -0.355 0.000 2.354 1150 K HA 0.458 4.781 4.320 0.004 0.000 0.238 1150 K C 0.999 177.291 176.600 -0.514 0.000 1.068 1150 K CA -0.601 55.367 56.287 -0.532 0.000 0.925 1150 K CB 1.413 33.309 32.500 -1.007 0.000 1.286 1150 K HN 0.465 nan 8.250 nan 0.000 0.500 1151 S N 0.445 115.782 115.700 -0.605 0.000 2.354 1151 S HA -0.193 4.279 4.470 0.004 0.000 0.219 1151 S C 1.914 176.262 174.600 -0.420 0.000 1.035 1151 S CA 1.890 59.814 58.200 -0.460 0.000 1.037 1151 S CB -0.563 62.389 63.200 -0.414 0.000 0.956 1151 S HN 0.656 nan 8.310 nan 0.000 0.428 1152 Y N 0.841 120.987 120.300 -0.257 0.000 2.462 1152 Y HA 0.523 5.075 4.550 0.004 0.000 0.261 1152 Y C 0.441 176.061 175.900 -0.467 0.000 1.146 1152 Y CA -1.605 56.276 58.100 -0.364 0.000 1.283 1152 Y CB -0.784 37.455 38.460 -0.368 0.000 1.090 1152 Y HN 0.446 nan 8.280 nan 0.000 0.526 1153 Y N -2.199 117.903 120.300 -0.331 0.000 2.597 1153 Y HA 0.837 5.390 4.550 0.004 0.000 0.340 1153 Y C -1.109 174.746 175.900 -0.076 0.000 1.097 1153 Y CA -2.042 55.951 58.100 -0.179 0.000 1.037 1153 Y CB 1.383 39.925 38.460 0.137 0.000 1.305 1153 Y HN -0.197 nan 8.280 nan 0.000 0.463 1154 T N 2.369 117.049 114.554 0.209 0.000 2.881 1154 T HA 0.604 4.956 4.350 0.004 0.000 0.290 1154 T C -1.303 173.540 174.700 0.239 0.000 1.000 1154 T CA -0.675 61.502 62.100 0.128 0.000 0.978 1154 T CB 1.644 70.557 68.868 0.075 0.000 0.997 1154 T HN 0.620 nan 8.240 nan 0.000 0.443 1155 V N 4.214 124.211 119.914 0.140 0.000 2.483 1155 V HA 0.638 4.760 4.120 0.004 0.000 0.295 1155 V C -0.010 176.046 176.094 -0.063 0.000 1.035 1155 V CA -0.856 61.428 62.300 -0.026 0.000 0.896 1155 V CB 1.640 33.435 31.823 -0.046 0.000 0.986 1155 V HN 0.729 nan 8.190 nan 0.000 0.447 1156 R N 3.053 123.478 120.500 -0.125 0.000 2.744 1156 R HA 0.576 4.918 4.340 0.004 0.000 0.279 1156 R C -1.198 175.050 176.300 -0.087 0.000 0.977 1156 R CA -0.842 55.219 56.100 -0.065 0.000 0.906 1156 R CB 2.596 32.870 30.300 -0.043 0.000 1.197 1156 R HN 0.649 nan 8.270 nan 0.000 0.463 1157 Q N 2.335 122.106 119.800 -0.048 0.000 2.307 1157 Q HA 0.493 4.836 4.340 0.004 0.000 0.262 1157 Q C -0.911 175.080 176.000 -0.014 0.000 0.961 1157 Q CA -0.470 55.314 55.803 -0.032 0.000 0.882 1157 Q CB 1.804 30.529 28.738 -0.021 0.000 1.264 1157 Q HN 0.351 nan 8.270 nan 0.000 0.446 1158 L N 1.140 122.362 121.223 -0.003 0.000 2.301 1158 L HA 0.585 4.927 4.340 0.004 0.000 0.264 1158 L C -0.437 176.430 176.870 -0.005 0.000 1.016 1158 L CA -0.825 54.005 54.840 -0.016 0.000 0.821 1158 L CB 2.069 44.103 42.059 -0.042 0.000 1.346 1158 L HN 0.552 nan 8.230 nan 0.000 0.429 1159 E N 1.789 121.975 120.200 -0.023 0.000 2.182 1159 E HA 0.404 4.756 4.350 0.004 0.000 0.258 1159 E C -1.756 174.842 176.600 -0.005 0.000 0.879 1159 E CA -0.775 55.629 56.400 0.007 0.000 0.754 1159 E CB 1.905 31.609 29.700 0.007 0.000 1.162 1159 E HN 0.375 nan 8.360 nan 0.000 0.419 1160 L N 4.167 125.430 121.223 0.067 0.000 2.289 1160 L HA 0.442 4.785 4.340 0.004 0.000 0.285 1160 L C -0.825 176.161 176.870 0.194 0.000 1.049 1160 L CA -0.039 54.865 54.840 0.108 0.000 0.804 1160 L CB 1.427 43.639 42.059 0.255 0.000 1.195 1160 L HN 0.646 nan 8.230 nan 0.000 0.428 1161 E N 3.800 124.026 120.200 0.043 0.000 2.224 1161 E HA 0.230 4.583 4.350 0.004 0.000 0.265 1161 E C -1.182 175.246 176.600 -0.287 0.000 0.878 1161 E CA -0.755 55.612 56.400 -0.056 0.000 0.759 1161 E CB 1.088 30.762 29.700 -0.043 0.000 1.164 1161 E HN 0.616 nan 8.360 nan 0.000 0.414 1162 N N 5.648 123.977 118.700 -0.618 0.000 2.402 1162 N HA 0.064 4.806 4.740 0.004 0.000 0.252 1162 N C 0.678 175.987 175.510 -0.335 0.000 1.118 1162 N CA 0.061 52.661 53.050 -0.750 0.000 0.945 1162 N CB 0.627 38.374 38.487 -1.234 0.000 1.147 1162 N HN 0.713 nan 8.380 nan 0.000 0.495 1163 L N 2.312 123.401 121.223 -0.224 0.000 2.549 1163 L HA -0.106 4.236 4.340 0.004 0.000 0.230 1163 L C 1.554 178.361 176.870 -0.106 0.000 1.162 1163 L CA 0.766 55.528 54.840 -0.129 0.000 0.834 1163 L CB -0.212 41.791 42.059 -0.094 0.000 0.947 1163 L HN 0.500 nan 8.230 nan 0.000 0.452 1164 T N -2.032 112.442 114.554 -0.133 0.000 2.925 1164 T HA -0.084 4.269 4.350 0.004 0.000 0.245 1164 T C 1.857 176.522 174.700 -0.058 0.000 1.025 1164 T CA 1.544 63.594 62.100 -0.082 0.000 1.149 1164 T CB -0.038 68.783 68.868 -0.078 0.000 0.866 1164 T HN 0.436 nan 8.240 nan 0.000 0.437 1165 T N -0.284 114.227 114.554 -0.072 0.000 3.107 1165 T HA 0.152 4.504 4.350 0.004 0.000 0.249 1165 T C 0.974 175.672 174.700 -0.004 0.000 1.096 1165 T CA 0.160 62.254 62.100 -0.010 0.000 1.012 1165 T CB -0.277 68.618 68.868 0.046 0.000 0.977 1165 T HN 0.395 nan 8.240 nan 0.000 0.527 1166 Q N 0.095 119.869 119.800 -0.044 0.000 2.393 1166 Q HA -0.214 4.128 4.340 0.004 0.000 0.235 1166 Q C 0.049 176.061 176.000 0.020 0.000 0.823 1166 Q CA 1.154 56.943 55.803 -0.024 0.000 1.284 1166 Q CB -1.332 27.402 28.738 -0.005 0.000 1.669 1166 Q HN 0.866 nan 8.270 nan 0.000 0.597 1167 E N 1.111 121.345 120.200 0.057 0.000 2.390 1167 E HA 0.263 4.615 4.350 0.004 0.000 0.261 1167 E C -0.063 176.685 176.600 0.247 0.000 1.076 1167 E CA 0.751 57.267 56.400 0.193 0.000 0.905 1167 E CB 0.782 30.701 29.700 0.365 0.000 0.984 1167 E HN 0.213 nan 8.360 nan 0.000 0.427 1168 T N 1.549 116.271 114.554 0.281 0.000 2.909 1168 T HA 0.666 5.019 4.350 0.004 0.000 0.299 1168 T C -0.525 174.332 174.700 0.262 0.000 1.073 1168 T CA -1.017 61.247 62.100 0.274 0.000 0.999 1168 T CB 1.537 70.482 68.868 0.130 0.000 1.098 1168 T HN 0.506 nan 8.240 nan 0.000 0.477 1169 R N 0.510 121.165 120.500 0.258 0.000 2.808 1169 R HA 0.529 4.871 4.340 0.004 0.000 0.272 1169 R C -1.066 175.291 176.300 0.096 0.000 0.995 1169 R CA -0.988 55.187 56.100 0.124 0.000 0.917 1169 R CB 2.268 32.579 30.300 0.019 0.000 1.217 1169 R HN 0.873 nan 8.270 nan 0.000 0.471 1170 E N 2.431 122.662 120.200 0.052 0.000 2.081 1170 E HA 0.227 4.579 4.350 0.004 0.000 0.281 1170 E C -0.992 175.631 176.600 0.039 0.000 0.986 1170 E CA -0.563 55.861 56.400 0.040 0.000 0.796 1170 E CB 0.633 30.349 29.700 0.026 0.000 1.085 1170 E HN 0.267 nan 8.360 nan 0.000 0.398 1171 I N 5.372 125.985 120.570 0.071 0.000 2.336 1171 I HA 0.209 4.381 4.170 0.004 0.000 0.292 1171 I C -0.232 175.945 176.117 0.101 0.000 0.991 1171 I CA -0.442 60.929 61.300 0.119 0.000 1.227 1171 I CB 1.319 39.469 38.000 0.250 0.000 1.366 1171 I HN 0.575 nan 8.210 nan 0.000 0.466 1172 L N 5.750 127.029 121.223 0.093 0.000 2.312 1172 L HA 0.370 4.712 4.340 0.004 0.000 0.281 1172 L C 0.019 176.917 176.870 0.046 0.000 1.070 1172 L CA -0.453 54.385 54.840 -0.004 0.000 0.805 1172 L CB 0.632 42.710 42.059 0.032 0.000 1.174 1172 L HN 0.555 nan 8.230 nan 0.000 0.434 1173 H N 4.046 122.958 119.070 -0.264 0.000 2.638 1173 H HA 0.335 4.893 4.556 0.004 0.000 0.317 1173 H C -1.526 173.611 175.328 -0.318 0.000 1.006 1173 H CA -0.641 55.312 56.048 -0.159 0.000 1.222 1173 H CB 0.985 30.641 29.762 -0.177 0.000 1.419 1173 H HN 0.348 nan 8.280 nan 0.000 0.489 1174 F N 4.559 124.388 119.950 -0.202 0.000 2.332 1174 F HA 0.184 4.713 4.527 0.004 0.000 0.368 1174 F C 0.539 176.404 175.800 0.108 0.000 1.110 1174 F CA -0.539 57.464 58.000 0.004 0.000 1.087 1174 F CB 0.615 39.538 39.000 -0.128 0.000 1.235 1174 F HN 0.535 nan 8.300 nan 0.000 0.470 1175 H N 3.950 123.115 119.070 0.159 0.000 2.661 1175 H HA 0.181 4.739 4.556 0.004 0.000 0.290 1175 H C -1.295 174.091 175.328 0.097 0.000 1.082 1175 H CA -0.864 55.210 56.048 0.043 0.000 1.234 1175 H CB 0.599 30.334 29.762 -0.046 0.000 1.387 1175 H HN 0.651 nan 8.280 nan 0.000 0.476 1176 Y N 5.335 125.544 120.300 -0.152 0.000 2.504 1176 Y HA 0.018 4.571 4.550 0.004 0.000 0.351 1176 Y C 1.145 176.927 175.900 -0.198 0.000 0.988 1176 Y CA -0.112 57.726 58.100 -0.436 0.000 1.239 1176 Y CB 0.768 38.672 38.460 -0.927 0.000 1.128 1176 Y HN 0.681 nan 8.280 nan 0.000 0.525 1177 T N -1.321 112.975 114.554 -0.429 0.000 3.100 1177 T HA -0.026 4.326 4.350 0.004 0.000 0.253 1177 T C 0.850 175.486 174.700 -0.106 0.000 1.118 1177 T CA 0.700 62.597 62.100 -0.337 0.000 1.058 1177 T CB -0.335 68.280 68.868 -0.422 0.000 0.953 1177 T HN 0.623 nan 8.240 nan 0.000 0.515 1178 T N -1.582 112.911 114.554 -0.102 0.000 3.316 1178 T HA 0.329 4.681 4.350 0.004 0.000 0.253 1178 T C -0.988 173.905 174.700 0.321 0.000 0.995 1178 T CA -0.859 61.280 62.100 0.064 0.000 1.031 1178 T CB -0.488 68.369 68.868 -0.019 0.000 1.125 1178 T HN 0.377 nan 8.240 nan 0.000 0.539 1179 W N 4.367 125.761 121.300 0.156 0.000 2.453 1179 W HA 0.446 5.108 4.660 0.005 0.000 0.310 1179 W C -2.995 173.516 176.519 -0.014 0.000 1.000 1179 W CA -3.291 54.087 57.345 0.057 0.000 1.367 1179 W CB 1.792 31.244 29.460 -0.013 0.000 1.269 1179 W HN 0.165 nan 8.180 nan 0.000 0.418 1180 P HA 0.057 nan 4.420 nan 0.000 0.274 1180 P C -0.054 177.287 177.300 0.069 0.000 1.231 1180 P CA 0.204 63.396 63.100 0.153 0.000 0.790 1180 P CB 1.389 33.164 31.700 0.127 0.000 0.951 1181 D N 2.426 122.820 120.400 -0.010 0.000 2.531 1181 D HA -0.069 4.574 4.640 0.004 0.000 0.239 1181 D C 0.373 176.653 176.300 -0.033 0.000 1.144 1181 D CA 0.501 54.405 54.000 -0.159 0.000 0.869 1181 D CB -0.168 40.619 40.800 -0.021 0.000 1.160 1181 D HN 0.359 nan 8.370 nan 0.000 0.484 1182 F N -0.455 119.467 119.950 -0.048 0.000 2.871 1182 F HA -0.225 4.305 4.527 0.004 0.000 0.326 1182 F C 1.399 177.202 175.800 0.005 0.000 0.675 1182 F CA 1.000 58.981 58.000 -0.033 0.000 1.188 1182 F CB -1.620 37.361 39.000 -0.033 0.000 1.567 1182 F HN 0.506 nan 8.300 nan 0.000 0.325 1183 G N -0.457 108.423 108.800 0.133 0.000 2.671 1183 G HA2 0.694 4.656 3.960 0.004 0.000 0.275 1183 G HA3 0.694 4.656 3.960 0.004 0.000 0.275 1183 G C -0.390 174.612 174.900 0.170 0.000 1.368 1183 G CA -0.035 45.148 45.100 0.138 0.000 1.044 1183 G HN 0.675 nan 8.290 nan 0.000 0.543 1184 V N -3.328 116.530 119.914 -0.093 0.000 3.046 1184 V HA 0.732 4.854 4.120 0.004 0.000 0.316 1184 V C -2.780 172.709 176.094 -1.008 0.000 1.104 1184 V CA -2.623 59.323 62.300 -0.591 0.000 1.006 1184 V CB 1.708 33.196 31.823 -0.559 0.000 1.058 1184 V HN 0.502 nan 8.190 nan 0.000 0.440 1185 P HA 0.119 nan 4.420 nan 0.000 0.269 1185 P C 0.914 177.878 177.300 -0.561 0.000 1.215 1185 P CA 0.031 62.313 63.100 -1.364 0.000 0.780 1185 P CB 0.523 31.236 31.700 -1.646 0.000 0.898 1186 E N 1.552 121.633 120.200 -0.198 0.000 2.169 1186 E HA -0.216 4.136 4.350 0.004 0.000 0.202 1186 E C -0.000 176.553 176.600 -0.079 0.000 1.016 1186 E CA 1.729 58.074 56.400 -0.091 0.000 0.817 1186 E CB 0.091 29.772 29.700 -0.032 0.000 0.736 1186 E HN 0.563 nan 8.360 nan 0.000 0.462 1187 S N -3.121 112.544 115.700 -0.058 0.000 2.611 1187 S HA 0.260 4.732 4.470 0.004 0.000 0.270 1187 S C -2.648 172.040 174.600 0.146 0.000 1.131 1187 S CA -0.946 57.278 58.200 0.039 0.000 0.826 1187 S CB 1.667 64.853 63.200 -0.022 0.000 1.095 1187 S HN -0.237 nan 8.310 nan 0.000 0.461 1188 P HA 0.032 nan 4.420 nan 0.000 0.215 1188 P C 1.727 179.026 177.300 -0.002 0.000 1.157 1188 P CA 2.294 65.350 63.100 -0.072 0.000 0.863 1188 P CB -0.234 31.299 31.700 -0.278 0.000 0.787 1189 A N 0.227 123.018 122.820 -0.048 0.000 1.883 1189 A HA -0.237 4.086 4.320 0.004 0.000 0.217 1189 A C 2.434 179.966 177.584 -0.086 0.000 1.186 1189 A CA 2.704 54.703 52.037 -0.064 0.000 0.624 1189 A CB -1.749 17.233 19.000 -0.031 0.000 0.822 1189 A HN 0.348 nan 8.150 nan 0.000 0.444 1190 S N -1.285 114.301 115.700 -0.190 0.000 2.383 1190 S HA -0.153 4.319 4.470 0.004 0.000 0.227 1190 S C 1.857 176.395 174.600 -0.103 0.000 1.026 1190 S CA 1.391 59.275 58.200 -0.527 0.000 0.981 1190 S CB -0.717 61.740 63.200 -1.238 0.000 0.818 1190 S HN 0.599 nan 8.310 nan 0.000 0.472 1191 F N 2.428 122.294 119.950 -0.139 0.000 2.102 1191 F HA 0.120 4.649 4.527 0.004 0.000 0.298 1191 F C 1.906 177.641 175.800 -0.109 0.000 1.105 1191 F CA 1.267 59.184 58.000 -0.138 0.000 1.239 1191 F CB -0.433 38.509 39.000 -0.096 0.000 0.991 1191 F HN 0.155 nan 8.300 nan 0.000 0.474 1192 L N 0.182 121.222 121.223 -0.305 0.000 2.093 1192 L HA -0.223 4.119 4.340 0.004 0.000 0.208 1192 L C 2.065 178.476 176.870 -0.765 0.000 1.085 1192 L CA 1.780 56.182 54.840 -0.729 0.000 0.755 1192 L CB -0.918 40.800 42.059 -0.568 0.000 0.904 1192 L HN 0.218 nan 8.230 nan 0.000 0.435 1193 N N -0.424 118.129 118.700 -0.245 0.000 2.084 1193 N HA -0.235 4.507 4.740 0.004 0.000 0.190 1193 N C 1.732 177.216 175.510 -0.043 0.000 1.030 1193 N CA 1.251 54.314 53.050 0.022 0.000 0.849 1193 N CB -0.210 38.450 38.487 0.289 0.000 1.012 1193 N HN 0.144 nan 8.380 nan 0.000 0.423 1194 F N 1.676 121.488 119.950 -0.229 0.000 2.065 1194 F HA -0.190 4.340 4.527 0.004 0.000 0.298 1194 F C 2.040 177.621 175.800 -0.365 0.000 1.112 1194 F CA 1.095 58.847 58.000 -0.413 0.000 1.212 1194 F CB -0.614 38.315 39.000 -0.119 0.000 0.975 1194 F HN 0.011 nan 8.300 nan 0.000 0.476 1195 L N -0.195 120.737 121.223 -0.486 0.000 2.012 1195 L HA -0.214 4.128 4.340 0.004 0.000 0.210 1195 L C 2.193 178.828 176.870 -0.391 0.000 1.073 1195 L CA 1.918 56.423 54.840 -0.560 0.000 0.748 1195 L CB -1.325 40.240 42.059 -0.824 0.000 0.891 1195 L HN 0.122 nan 8.230 nan 0.000 0.431 1196 F N 0.141 119.917 119.950 -0.291 0.000 2.161 1196 F HA -0.183 4.346 4.527 0.004 0.000 0.300 1196 F C 2.546 178.222 175.800 -0.207 0.000 1.089 1196 F CA 1.177 59.057 58.000 -0.200 0.000 1.282 1196 F CB -1.153 37.765 39.000 -0.137 0.000 1.010 1196 F HN 0.123 nan 8.300 nan 0.000 0.485 1197 K N 0.810 121.162 120.400 -0.080 0.000 2.097 1197 K HA -0.095 4.228 4.320 0.004 0.000 0.206 1197 K C 2.123 178.543 176.600 -0.300 0.000 1.049 1197 K CA 1.013 57.238 56.287 -0.103 0.000 0.933 1197 K CB -0.597 31.830 32.500 -0.122 0.000 0.717 1197 K HN 0.173 nan 8.250 nan 0.000 0.442 1198 V N 0.881 120.374 119.914 -0.701 0.000 2.379 1198 V HA -0.165 3.957 4.120 0.004 0.000 0.245 1198 V C 2.504 178.314 176.094 -0.474 0.000 1.044 1198 V CA 1.515 63.163 62.300 -1.087 0.000 1.036 1198 V CB -0.401 30.787 31.823 -1.058 0.000 0.664 1198 V HN 0.289 nan 8.190 nan 0.000 0.453 1199 R N 0.089 120.441 120.500 -0.246 0.000 2.073 1199 R HA -0.181 4.161 4.340 0.004 0.000 0.234 1199 R C 2.319 178.588 176.300 -0.051 0.000 1.134 1199 R CA 1.803 57.846 56.100 -0.094 0.000 0.952 1199 R CB -0.317 29.987 30.300 0.006 0.000 0.850 1199 R HN 0.596 nan 8.270 nan 0.000 0.433 1200 E N 0.264 120.446 120.200 -0.031 0.000 2.204 1200 E HA -0.162 4.191 4.350 0.004 0.000 0.195 1200 E C 1.931 178.552 176.600 0.035 0.000 0.990 1200 E CA 1.464 57.870 56.400 0.011 0.000 0.821 1200 E CB -0.011 29.709 29.700 0.034 0.000 0.750 1200 E HN 0.335 nan 8.360 nan 0.000 0.477 1201 S N -0.695 115.025 115.700 0.035 0.000 2.474 1201 S HA -0.014 4.458 4.470 0.004 0.000 0.235 1201 S C 1.788 176.441 174.600 0.088 0.000 0.997 1201 S CA 0.779 59.049 58.200 0.116 0.000 0.949 1201 S CB 0.015 63.386 63.200 0.284 0.000 0.766 1201 S HN 0.408 nan 8.310 nan 0.000 0.517 1202 G N 0.361 109.194 108.800 0.055 0.000 2.176 1202 G HA2 -0.319 3.643 3.960 0.004 0.000 0.253 1202 G HA3 -0.319 3.643 3.960 0.004 0.000 0.253 1202 G C 1.017 175.997 174.900 0.134 0.000 0.979 1202 G CA 0.542 45.706 45.100 0.106 0.000 0.641 1202 G HN 0.659 nan 8.290 nan 0.000 0.530 1203 S N 0.004 115.723 115.700 0.032 0.000 2.419 1203 S HA 0.010 4.482 4.470 0.004 0.000 0.235 1203 S C 2.105 176.729 174.600 0.040 0.000 1.019 1203 S CA 1.366 59.560 58.200 -0.010 0.000 0.982 1203 S CB -0.159 63.048 63.200 0.012 0.000 0.789 1203 S HN 0.544 nan 8.310 nan 0.000 0.490 1204 L N 1.225 122.461 121.223 0.021 0.000 2.558 1204 L HA 0.166 4.509 4.340 0.004 0.000 0.225 1204 L C 1.257 178.126 176.870 -0.002 0.000 1.128 1204 L CA -0.168 54.667 54.840 -0.008 0.000 0.868 1204 L CB -0.367 41.673 42.059 -0.032 0.000 1.006 1204 L HN 0.195 nan 8.230 nan 0.000 0.454 1205 S N 1.820 117.561 115.700 0.068 0.000 2.558 1205 S HA 0.063 4.535 4.470 0.004 0.000 0.288 1205 S C -1.078 173.502 174.600 -0.033 0.000 1.318 1205 S CA -1.030 57.182 58.200 0.020 0.000 1.056 1205 S CB 0.653 63.870 63.200 0.028 0.000 0.853 1205 S HN 0.053 nan 8.310 nan 0.000 0.505 1206 P HA -0.024 nan 4.420 nan 0.000 0.239 1206 P C 0.635 177.856 177.300 -0.132 0.000 1.184 1206 P CA 0.558 63.602 63.100 -0.093 0.000 0.760 1206 P CB 0.125 31.775 31.700 -0.083 0.000 0.884 1207 E N -0.732 119.335 120.200 -0.222 0.000 2.152 1207 E HA -0.081 4.271 4.350 0.004 0.000 0.192 1207 E C 1.044 177.408 176.600 -0.392 0.000 0.983 1207 E CA 0.949 57.148 56.400 -0.335 0.000 0.818 1207 E CB -0.488 28.933 29.700 -0.465 0.000 0.758 1207 E HN 0.543 nan 8.360 nan 0.000 0.467 1208 H N -0.483 118.558 119.070 -0.049 0.000 2.530 1208 H HA 0.474 5.032 4.556 0.004 0.000 0.342 1208 H C 0.798 176.085 175.328 -0.069 0.000 1.312 1208 H CA -0.132 55.882 56.048 -0.057 0.000 1.376 1208 H CB 0.103 29.839 29.762 -0.043 0.000 1.692 1208 H HN 0.030 nan 8.280 nan 0.000 0.622 1209 G N 0.395 109.236 108.800 0.069 0.000 2.621 1209 G HA2 0.200 4.162 3.960 0.004 0.000 0.271 1209 G HA3 0.200 4.162 3.960 0.004 0.000 0.271 1209 G C -2.279 172.615 174.900 -0.010 0.000 1.236 1209 G CA -1.037 44.059 45.100 -0.008 0.000 0.958 1209 G HN 0.369 nan 8.290 nan 0.000 0.512 1210 P HA 0.088 nan 4.420 nan 0.000 0.268 1210 P C 0.334 177.618 177.300 -0.027 0.000 1.205 1210 P CA -0.139 62.924 63.100 -0.061 0.000 0.771 1210 P CB 1.235 32.888 31.700 -0.078 0.000 0.858 1211 V N 4.553 124.467 119.914 0.000 0.000 2.872 1211 V HA -0.017 4.105 4.120 0.004 0.000 0.307 1211 V C -0.094 176.034 176.094 0.056 0.000 1.072 1211 V CA 0.155 62.483 62.300 0.047 0.000 1.148 1211 V CB 0.732 32.613 31.823 0.098 0.000 0.954 1211 V HN 0.242 nan 8.190 nan 0.000 0.490 1212 V N 7.156 127.087 119.914 0.029 0.000 2.383 1212 V HA 0.395 4.517 4.120 0.004 0.000 0.275 1212 V C -0.082 176.054 176.094 0.070 0.000 1.036 1212 V CA -0.322 61.977 62.300 -0.002 0.000 0.889 1212 V CB 1.432 33.169 31.823 -0.144 0.000 0.985 1212 V HN 0.700 nan 8.190 nan 0.000 0.459 1213 V N 5.832 125.785 119.914 0.065 0.000 2.448 1213 V HA 0.632 4.755 4.120 0.004 0.000 0.295 1213 V C -0.459 175.656 176.094 0.034 0.000 1.025 1213 V CA -0.567 61.734 62.300 0.002 0.000 0.859 1213 V CB 1.516 33.329 31.823 -0.017 0.000 0.988 1213 V HN 1.169 nan 8.190 nan 0.000 0.431 1214 H N 2.441 121.465 119.070 -0.076 0.000 3.016 1214 H HA 0.859 5.417 4.556 0.004 0.000 0.362 1214 H C -0.256 174.998 175.328 -0.123 0.000 1.233 1214 H CA -0.271 55.727 56.048 -0.083 0.000 1.124 1214 H CB 1.614 31.346 29.762 -0.050 0.000 1.850 1214 H HN 0.744 nan 8.280 nan 0.000 0.549 1215 C N -0.208 119.011 119.300 -0.136 0.000 4.405 1215 C HA 0.613 5.075 4.460 0.004 0.000 0.246 1215 C C 1.838 176.854 174.990 0.043 0.000 4.244 1215 C CA 0.249 59.151 59.018 -0.193 0.000 1.736 1215 C CB 0.873 28.414 27.740 -0.333 0.000 5.064 1215 C HN 0.816 nan 8.230 nan 0.000 0.503 1216 S N 0.227 115.924 115.700 -0.004 0.000 2.371 1216 S HA 0.238 4.710 4.470 0.004 0.000 0.219 1216 S C 1.823 176.551 174.600 0.212 0.000 1.040 1216 S CA 1.387 59.660 58.200 0.122 0.000 0.958 1216 S CB -0.598 62.692 63.200 0.149 0.000 0.860 1216 S HN 1.068 nan 8.310 nan 0.000 0.487 1217 A N -0.448 122.475 122.820 0.171 0.000 2.115 1217 A HA 0.532 4.854 4.320 0.004 0.000 0.211 1217 A C 1.529 179.158 177.584 0.075 0.000 1.169 1217 A CA 0.897 53.071 52.037 0.228 0.000 0.787 1217 A CB -0.616 18.418 19.000 0.056 0.000 0.858 1217 A HN 1.355 nan 8.150 nan 0.000 0.474 1218 G N -0.286 108.512 108.800 -0.003 0.000 2.149 1218 G HA2 -0.248 3.715 3.960 0.004 0.000 0.235 1218 G HA3 -0.248 3.715 3.960 0.004 0.000 0.235 1218 G C 0.616 175.481 174.900 -0.059 0.000 1.018 1218 G CA 0.759 45.843 45.100 -0.027 0.000 0.728 1218 G HN 1.362 nan 8.290 nan 0.000 0.508 1219 I N -5.100 115.413 120.570 -0.095 0.000 4.738 1219 I HA 0.439 4.611 4.170 0.004 0.000 0.315 1219 I C 1.808 177.861 176.117 -0.107 0.000 1.214 1219 I CA 0.917 62.170 61.300 -0.079 0.000 1.337 1219 I CB -0.349 37.624 38.000 -0.045 0.000 1.433 1219 I HN 0.066 nan 8.210 nan 0.000 0.472 1220 G N 1.802 110.483 108.800 -0.197 0.000 2.499 1220 G HA2 -0.014 3.948 3.960 0.004 0.000 0.213 1220 G HA3 -0.014 3.948 3.960 0.004 0.000 0.213 1220 G C 1.640 176.355 174.900 -0.308 0.000 1.230 1220 G CA 0.591 45.549 45.100 -0.236 0.000 0.813 1220 G HN 0.207 nan 8.290 nan 0.000 0.542 1221 R N 0.361 120.529 120.500 -0.553 0.000 2.075 1221 R HA 0.032 4.374 4.340 0.004 0.000 0.232 1221 R C 3.037 178.994 176.300 -0.572 0.000 1.126 1221 R CA 1.326 56.847 56.100 -0.966 0.000 0.963 1221 R CB -0.336 29.062 30.300 -1.504 0.000 0.858 1221 R HN 0.284 nan 8.270 nan 0.000 0.435 1222 S N -0.004 115.476 115.700 -0.366 0.000 2.370 1222 S HA -0.123 4.349 4.470 0.004 0.000 0.226 1222 S C 2.005 176.576 174.600 -0.049 0.000 1.033 1222 S CA 1.395 59.490 58.200 -0.176 0.000 1.011 1222 S CB -0.445 62.670 63.200 -0.142 0.000 0.852 1222 S HN 0.632 nan 8.310 nan 0.000 0.457 1223 G N 1.151 109.911 108.800 -0.067 0.000 2.418 1223 G HA2 -0.178 3.785 3.960 0.004 0.000 0.217 1223 G HA3 -0.178 3.785 3.960 0.004 0.000 0.217 1223 G C 1.456 176.381 174.900 0.042 0.000 1.158 1223 G CA 1.457 46.551 45.100 -0.010 0.000 0.771 1223 G HN 0.495 nan 8.290 nan 0.000 0.545 1224 T N 0.739 115.337 114.554 0.072 0.000 2.746 1224 T HA -0.111 4.242 4.350 0.004 0.000 0.267 1224 T C 1.921 176.764 174.700 0.239 0.000 1.039 1224 T CA 1.101 63.297 62.100 0.160 0.000 1.142 1224 T CB -0.299 68.734 68.868 0.275 0.000 0.866 1224 T HN 0.248 nan 8.240 nan 0.000 0.444 1225 F N 1.572 121.652 119.950 0.216 0.000 2.069 1225 F HA -0.195 4.334 4.527 0.004 0.000 0.298 1225 F C 2.434 178.297 175.800 0.105 0.000 1.113 1225 F CA 1.077 59.285 58.000 0.347 0.000 1.214 1225 F CB -0.694 38.468 39.000 0.271 0.000 0.978 1225 F HN 0.161 nan 8.300 nan 0.000 0.474 1226 C N 0.109 119.396 119.300 -0.021 0.000 2.440 1226 C HA -0.096 4.366 4.460 0.004 0.000 0.278 1226 C C 2.632 177.469 174.990 -0.255 0.000 1.295 1226 C CA 0.700 59.446 59.018 -0.454 0.000 1.738 1226 C CB -1.486 25.783 27.740 -0.784 0.000 1.987 1226 C HN 0.654 nan 8.230 nan 0.000 0.492 1227 L N 2.018 123.187 121.223 -0.090 0.000 2.046 1227 L HA -0.038 4.305 4.340 0.004 0.000 0.208 1227 L C 2.596 179.453 176.870 -0.023 0.000 1.077 1227 L CA 2.327 57.156 54.840 -0.019 0.000 0.747 1227 L CB -0.855 41.224 42.059 0.034 0.000 0.896 1227 L HN 0.256 nan 8.230 nan 0.000 0.432 1228 A N -0.728 122.079 122.820 -0.021 0.000 1.877 1228 A HA -0.280 4.043 4.320 0.004 0.000 0.216 1228 A C 2.078 179.641 177.584 -0.034 0.000 1.186 1228 A CA 1.901 53.934 52.037 -0.007 0.000 0.620 1228 A CB -1.071 17.982 19.000 0.088 0.000 0.822 1228 A HN 0.593 nan 8.150 nan 0.000 0.443 1229 D N -1.044 119.280 120.400 -0.127 0.000 2.092 1229 D HA -0.127 4.515 4.640 0.004 0.000 0.193 1229 D C 1.959 178.272 176.300 0.023 0.000 0.994 1229 D CA 2.141 56.075 54.000 -0.110 0.000 0.828 1229 D CB -0.355 40.331 40.800 -0.189 0.000 0.963 1229 D HN 0.318 nan 8.370 nan 0.000 0.450 1230 T N -0.830 113.769 114.554 0.076 0.000 2.684 1230 T HA -0.193 4.159 4.350 0.004 0.000 0.267 1230 T C 2.206 176.938 174.700 0.052 0.000 1.036 1230 T CA 1.448 63.615 62.100 0.111 0.000 1.148 1230 T CB -0.696 68.261 68.868 0.148 0.000 0.863 1230 T HN 0.308 nan 8.240 nan 0.000 0.436 1231 C N 0.707 120.019 119.300 0.021 0.000 2.425 1231 C HA 0.078 4.540 4.460 0.004 0.000 0.277 1231 C C 2.695 177.690 174.990 0.008 0.000 1.280 1231 C CA 0.243 59.260 59.018 -0.002 0.000 1.744 1231 C CB -1.391 26.322 27.740 -0.044 0.000 1.989 1231 C HN 0.512 nan 8.230 nan 0.000 0.491 1232 L N -0.175 121.061 121.223 0.021 0.000 1.994 1232 L HA -0.174 4.168 4.340 0.004 0.000 0.208 1232 L C 2.569 179.474 176.870 0.059 0.000 1.071 1232 L CA 1.132 56.004 54.840 0.053 0.000 0.745 1232 L CB -0.653 41.451 42.059 0.075 0.000 0.892 1232 L HN 0.239 nan 8.230 nan 0.000 0.431 1233 L N -0.356 120.897 121.223 0.050 0.000 1.978 1233 L HA -0.282 4.060 4.340 0.004 0.000 0.218 1233 L C 2.437 179.328 176.870 0.036 0.000 1.075 1233 L CA 1.903 56.770 54.840 0.044 0.000 0.767 1233 L CB -0.901 41.180 42.059 0.037 0.000 0.890 1233 L HN 0.162 nan 8.230 nan 0.000 0.434 1234 L N -1.872 119.369 121.223 0.030 0.000 2.042 1234 L HA -0.278 4.065 4.340 0.004 0.000 0.210 1234 L C 2.486 179.364 176.870 0.014 0.000 1.076 1234 L CA 1.317 56.169 54.840 0.020 0.000 0.749 1234 L CB -0.490 41.579 42.059 0.016 0.000 0.893 1234 L HN 0.313 nan 8.230 nan 0.000 0.432 1235 M N -0.859 118.751 119.600 0.017 0.000 2.549 1235 M HA -0.181 4.302 4.480 0.004 0.000 0.260 1235 M C 1.197 177.525 176.300 0.047 0.000 1.076 1235 M CA 1.246 56.554 55.300 0.013 0.000 1.090 1235 M CB -0.353 32.259 32.600 0.020 0.000 1.418 1235 M HN 0.195 nan 8.290 nan 0.000 0.486 1236 D N 0.004 120.437 120.400 0.054 0.000 2.392 1236 D HA 0.012 4.654 4.640 0.004 0.000 0.206 1236 D C 1.314 177.638 176.300 0.040 0.000 1.046 1236 D CA 0.734 54.772 54.000 0.062 0.000 0.865 1236 D CB 0.427 41.266 40.800 0.064 0.000 0.969 1236 D HN 0.126 nan 8.370 nan 0.000 0.509 1237 K N -0.377 120.040 120.400 0.028 0.000 2.374 1237 K HA 0.229 4.551 4.320 0.004 0.000 0.196 1237 K C 0.117 176.726 176.600 0.015 0.000 1.023 1237 K CA 0.082 56.381 56.287 0.019 0.000 1.103 1237 K CB 0.843 33.352 32.500 0.015 0.000 0.848 1237 K HN -0.056 nan 8.250 nan 0.000 0.528 1238 R N 0.750 121.258 120.500 0.013 0.000 2.562 1238 R HA 0.205 4.548 4.340 0.004 0.000 0.298 1238 R C 0.467 176.771 176.300 0.006 0.000 0.961 1238 R CA -0.503 55.600 56.100 0.005 0.000 0.881 1238 R CB 1.517 31.814 30.300 -0.005 0.000 1.159 1238 R HN -0.093 nan 8.270 nan 0.000 0.450 1239 K N 0.746 121.150 120.400 0.006 0.000 2.160 1239 K HA -0.200 4.122 4.320 0.004 0.000 0.206 1239 K C -0.089 176.512 176.600 0.001 0.000 1.047 1239 K CA 1.694 57.988 56.287 0.012 0.000 0.930 1239 K CB 0.135 32.640 32.500 0.009 0.000 0.720 1239 K HN 0.435 nan 8.250 nan 0.000 0.450 1240 D N -0.483 119.903 120.400 -0.024 0.000 2.454 1240 D HA 0.139 4.782 4.640 0.004 0.000 0.247 1240 D C -1.812 174.421 176.300 -0.111 0.000 1.129 1240 D CA -2.484 51.476 54.000 -0.066 0.000 0.877 1240 D CB 1.729 42.497 40.800 -0.054 0.000 1.082 1240 D HN -0.056 nan 8.370 nan 0.000 0.537 1241 P HA -0.162 nan 4.420 nan 0.000 0.219 1241 P C 1.069 178.235 177.300 -0.224 0.000 1.146 1241 P CA 0.744 63.712 63.100 -0.220 0.000 0.808 1241 P CB 0.168 31.645 31.700 -0.372 0.000 0.779 1242 S N -0.138 115.408 115.700 -0.257 0.000 2.603 1242 S HA -0.047 4.426 4.470 0.004 0.000 0.229 1242 S C 1.912 176.459 174.600 -0.089 0.000 0.972 1242 S CA 0.923 59.022 58.200 -0.170 0.000 0.935 1242 S CB -1.290 61.815 63.200 -0.158 0.000 0.769 1242 S HN 0.314 nan 8.310 nan 0.000 0.536 1243 S N 0.315 115.968 115.700 -0.078 0.000 2.528 1243 S HA 0.200 4.672 4.470 0.004 0.000 0.219 1243 S C 0.484 175.065 174.600 -0.032 0.000 0.985 1243 S CA -0.243 57.932 58.200 -0.042 0.000 0.914 1243 S CB -0.488 62.692 63.200 -0.032 0.000 0.776 1243 S HN 0.286 nan 8.310 nan 0.000 0.526 1244 V N 3.578 123.464 119.914 -0.047 0.000 2.446 1244 V HA 0.199 4.321 4.120 0.004 0.000 0.276 1244 V C 0.006 176.075 176.094 -0.041 0.000 1.030 1244 V CA -0.116 62.161 62.300 -0.039 0.000 1.033 1244 V CB 0.587 32.379 31.823 -0.051 0.000 0.993 1244 V HN 0.386 nan 8.190 nan 0.000 0.477 1245 D N 5.158 125.548 120.400 -0.017 0.000 2.467 1245 D HA 0.265 4.907 4.640 0.004 0.000 0.220 1245 D C 1.075 177.368 176.300 -0.012 0.000 1.103 1245 D CA -0.287 53.714 54.000 0.001 0.000 0.886 1245 D CB 0.913 41.731 40.800 0.029 0.000 1.025 1245 D HN 0.455 nan 8.370 nan 0.000 0.514 1246 I N 2.903 123.413 120.570 -0.099 0.000 2.423 1246 I HA -0.259 3.913 4.170 0.004 0.000 0.254 1246 I C 2.332 178.475 176.117 0.043 0.000 1.151 1246 I CA 0.835 62.050 61.300 -0.142 0.000 1.421 1246 I CB -0.007 37.643 38.000 -0.585 0.000 1.079 1246 I HN 0.374 nan 8.210 nan 0.000 0.431 1247 K N 1.714 122.196 120.400 0.136 0.000 2.025 1247 K HA -0.239 4.084 4.320 0.004 0.000 0.207 1247 K C 2.255 178.930 176.600 0.125 0.000 1.049 1247 K CA 1.550 57.949 56.287 0.187 0.000 0.933 1247 K CB -0.042 32.575 32.500 0.194 0.000 0.714 1247 K HN 0.106 nan 8.250 nan 0.000 0.438 1248 K N 0.300 120.755 120.400 0.091 0.000 2.097 1248 K HA -0.090 4.233 4.320 0.004 0.000 0.205 1248 K C 1.837 178.490 176.600 0.088 0.000 1.050 1248 K CA 1.214 57.548 56.287 0.078 0.000 0.938 1248 K CB 0.104 32.640 32.500 0.059 0.000 0.718 1248 K HN 0.019 nan 8.250 nan 0.000 0.442 1249 V N 1.600 121.562 119.914 0.080 0.000 2.343 1249 V HA -0.242 3.881 4.120 0.004 0.000 0.247 1249 V C 2.266 178.434 176.094 0.123 0.000 1.051 1249 V CA 1.479 63.835 62.300 0.092 0.000 1.036 1249 V CB -0.453 31.406 31.823 0.060 0.000 0.654 1249 V HN 0.361 nan 8.190 nan 0.000 0.451 1250 L N -0.539 120.758 121.223 0.123 0.000 2.046 1250 L HA -0.120 4.222 4.340 0.004 0.000 0.208 1250 L C 2.212 179.175 176.870 0.156 0.000 1.077 1250 L CA 1.845 56.773 54.840 0.147 0.000 0.747 1250 L CB -0.720 41.442 42.059 0.171 0.000 0.896 1250 L HN 0.132 nan 8.230 nan 0.000 0.432 1251 L N -0.258 121.046 121.223 0.135 0.000 2.042 1251 L HA -0.205 4.137 4.340 0.004 0.000 0.210 1251 L C 2.647 179.602 176.870 0.142 0.000 1.076 1251 L CA 1.860 56.773 54.840 0.121 0.000 0.749 1251 L CB -1.422 40.691 42.059 0.089 0.000 0.893 1251 L HN 0.450 nan 8.230 nan 0.000 0.432 1252 E N -0.423 119.869 120.200 0.153 0.000 2.038 1252 E HA -0.275 4.078 4.350 0.004 0.000 0.195 1252 E C 2.344 179.128 176.600 0.308 0.000 1.000 1252 E CA 1.731 58.246 56.400 0.192 0.000 0.803 1252 E CB -0.327 29.491 29.700 0.197 0.000 0.750 1252 E HN 0.347 nan 8.360 nan 0.000 0.448 1253 M N -0.276 119.518 119.600 0.325 0.000 2.117 1253 M HA -0.123 4.359 4.480 0.004 0.000 0.262 1253 M C 2.050 178.604 176.300 0.423 0.000 1.065 1253 M CA 1.517 57.068 55.300 0.418 0.000 1.114 1253 M CB 0.016 32.761 32.600 0.242 0.000 1.361 1253 M HN -0.021 nan 8.290 nan 0.000 0.408 1254 R N -0.241 120.432 120.500 0.289 0.000 2.377 1254 R HA -0.103 4.240 4.340 0.004 0.000 0.207 1254 R C 1.612 178.148 176.300 0.393 0.000 1.075 1254 R CA 0.724 56.996 56.100 0.288 0.000 1.035 1254 R CB -0.065 30.360 30.300 0.208 0.000 0.857 1254 R HN 0.412 nan 8.270 nan 0.000 0.475 1255 K N -0.762 119.812 120.400 0.289 0.000 2.288 1255 K HA -0.052 4.270 4.320 0.004 0.000 0.201 1255 K C 0.934 177.686 176.600 0.253 0.000 1.048 1255 K CA 1.003 57.418 56.287 0.213 0.000 0.956 1255 K CB 0.200 32.590 32.500 -0.184 0.000 0.746 1255 K HN 0.139 nan 8.250 nan 0.000 0.461 1256 F N -0.115 120.105 119.950 0.450 0.000 2.656 1256 F HA 0.196 4.724 4.527 0.003 0.000 0.291 1256 F C 0.810 176.720 175.800 0.184 0.000 1.122 1256 F CA -0.191 57.993 58.000 0.306 0.000 1.427 1256 F CB 0.553 39.654 39.000 0.168 0.000 1.125 1256 F HN -0.225 nan 8.300 nan 0.000 0.583 1257 R N 1.119 121.780 120.500 0.269 0.000 2.536 1257 R HA 0.363 4.705 4.340 0.004 0.000 0.269 1257 R C -0.706 175.483 176.300 -0.185 0.000 1.113 1257 R CA -0.705 55.283 56.100 -0.186 0.000 0.948 1257 R CB 1.434 31.694 30.300 -0.066 0.000 1.237 1257 R HN 0.103 nan 8.270 nan 0.000 0.441 1258 M N 1.794 121.090 119.600 -0.507 0.000 2.207 1258 M HA 0.334 4.816 4.480 0.004 0.000 0.311 1258 M C 1.017 177.296 176.300 -0.035 0.000 1.127 1258 M CA 1.214 56.431 55.300 -0.138 0.000 1.181 1258 M CB 0.420 32.937 32.600 -0.140 0.000 1.409 1258 M HN 0.801 nan 8.290 nan 0.000 0.461 1259 G N 1.438 110.258 108.800 0.034 0.000 2.212 1259 G HA2 -0.239 3.723 3.960 0.004 0.000 0.267 1259 G HA3 -0.239 3.723 3.960 0.004 0.000 0.267 1259 G C 0.039 174.985 174.900 0.075 0.000 1.002 1259 G CA 0.394 45.527 45.100 0.056 0.000 0.729 1259 G HN 0.767 nan 8.290 nan 0.000 0.517 1260 L N 0.280 121.549 121.223 0.077 0.000 2.584 1260 L HA 0.277 4.619 4.340 0.004 0.000 0.272 1260 L C 1.331 178.279 176.870 0.130 0.000 1.195 1260 L CA 0.301 55.187 54.840 0.076 0.000 0.920 1260 L CB -0.008 42.104 42.059 0.089 0.000 1.173 1260 L HN 0.345 nan 8.230 nan 0.000 0.489 1261 I N 3.061 123.687 120.570 0.093 0.000 7.690 1261 I HA -0.221 3.951 4.170 0.004 0.000 0.126 1261 I C 0.600 176.833 176.117 0.193 0.000 1.844 1261 I CA 0.081 61.448 61.300 0.113 0.000 2.037 1261 I CB -0.222 37.882 38.000 0.173 0.000 3.696 1261 I HN 0.813 nan 8.210 nan 0.000 0.169 1262 Q N 2.903 122.759 119.800 0.093 0.000 2.356 1262 Q HA 0.134 4.476 4.340 0.004 0.000 0.205 1262 Q C 0.848 176.927 176.000 0.131 0.000 0.901 1262 Q CA 1.282 57.209 55.803 0.207 0.000 0.938 1262 Q CB 0.866 29.738 28.738 0.223 0.000 1.081 1262 Q HN 0.865 nan 8.270 nan 0.000 0.517 1263 T N -5.591 108.814 114.554 -0.248 0.000 2.864 1263 T HA 0.641 4.994 4.350 0.004 0.000 0.299 1263 T C 0.682 174.854 174.700 -0.880 0.000 1.166 1263 T CA -0.201 61.660 62.100 -0.398 0.000 1.007 1263 T CB 1.528 70.338 68.868 -0.097 0.000 1.219 1263 T HN -0.122 nan 8.240 nan 0.000 0.506 1264 A N 0.529 122.968 122.820 -0.635 0.000 1.972 1264 A HA -0.013 4.309 4.320 0.004 0.000 0.219 1264 A C 1.947 179.367 177.584 -0.274 0.000 1.169 1264 A CA 1.683 53.485 52.037 -0.390 0.000 0.635 1264 A CB -0.975 18.041 19.000 0.028 0.000 0.810 1264 A HN 0.935 nan 8.150 nan 0.000 0.446 1265 D N -0.521 119.742 120.400 -0.229 0.000 2.117 1265 D HA -0.131 4.511 4.640 0.004 0.000 0.198 1265 D C 2.137 178.325 176.300 -0.187 0.000 0.982 1265 D CA 1.252 55.126 54.000 -0.211 0.000 0.828 1265 D CB -0.107 40.619 40.800 -0.124 0.000 0.967 1265 D HN 0.615 nan 8.370 nan 0.000 0.464 1266 Q N 0.038 119.745 119.800 -0.156 0.000 2.124 1266 Q HA -0.149 4.193 4.340 0.004 0.000 0.202 1266 Q C 2.248 178.218 176.000 -0.050 0.000 0.977 1266 Q CA 0.590 56.351 55.803 -0.070 0.000 0.850 1266 Q CB -0.029 28.688 28.738 -0.035 0.000 0.901 1266 Q HN 0.195 nan 8.270 nan 0.000 0.429 1267 L N 1.024 122.167 121.223 -0.134 0.000 2.017 1267 L HA -0.191 4.152 4.340 0.004 0.000 0.208 1267 L C 2.424 179.228 176.870 -0.110 0.000 1.073 1267 L CA 1.797 56.643 54.840 0.010 0.000 0.745 1267 L CB -0.405 41.713 42.059 0.099 0.000 0.894 1267 L HN 0.041 nan 8.230 nan 0.000 0.432 1268 R N -1.303 118.865 120.500 -0.553 0.000 2.080 1268 R HA -0.273 4.069 4.340 0.004 0.000 0.236 1268 R C 2.404 178.475 176.300 -0.382 0.000 1.137 1268 R CA 2.242 57.644 56.100 -1.164 0.000 0.943 1268 R CB -0.767 28.710 30.300 -1.373 0.000 0.846 1268 R HN 0.426 nan 8.270 nan 0.000 0.431 1269 F N 0.917 120.658 119.950 -0.347 0.000 2.161 1269 F HA -0.248 4.281 4.527 0.004 0.000 0.300 1269 F C 2.580 178.236 175.800 -0.241 0.000 1.089 1269 F CA 1.997 59.830 58.000 -0.279 0.000 1.282 1269 F CB -0.484 38.308 39.000 -0.347 0.000 1.010 1269 F HN 0.109 nan 8.300 nan 0.000 0.485 1270 S N -0.710 115.007 115.700 0.028 0.000 2.368 1270 S HA -0.247 4.225 4.470 0.004 0.000 0.225 1270 S C 2.035 176.626 174.600 -0.015 0.000 1.030 1270 S CA 1.574 59.771 58.200 -0.006 0.000 0.999 1270 S CB -0.739 62.526 63.200 0.109 0.000 0.844 1270 S HN 0.497 nan 8.310 nan 0.000 0.459 1271 Y N 1.587 121.850 120.300 -0.062 0.000 2.114 1271 Y HA 0.003 4.555 4.550 0.004 0.000 0.284 1271 Y C 2.380 178.231 175.900 -0.081 0.000 1.143 1271 Y CA 1.151 59.298 58.100 0.078 0.000 1.135 1271 Y CB -0.782 37.917 38.460 0.398 0.000 0.980 1271 Y HN 0.221 nan 8.280 nan 0.000 0.499 1272 L N -0.774 120.416 121.223 -0.056 0.000 1.990 1272 L HA -0.343 3.999 4.340 0.004 0.000 0.213 1272 L C 2.537 179.143 176.870 -0.441 0.000 1.072 1272 L CA 1.665 56.246 54.840 -0.431 0.000 0.755 1272 L CB -0.735 41.007 42.059 -0.528 0.000 0.889 1272 L HN 0.315 nan 8.230 nan 0.000 0.432 1273 A N -1.013 121.447 122.820 -0.600 0.000 1.908 1273 A HA -0.184 4.138 4.320 0.004 0.000 0.218 1273 A C 2.187 179.659 177.584 -0.188 0.000 1.181 1273 A CA 1.945 53.701 52.037 -0.467 0.000 0.627 1273 A CB -0.836 17.804 19.000 -0.601 0.000 0.818 1273 A HN 0.317 nan 8.150 nan 0.000 0.445 1274 V N 0.055 119.882 119.914 -0.145 0.000 2.358 1274 V HA -0.239 3.883 4.120 0.004 0.000 0.246 1274 V C 2.404 178.487 176.094 -0.018 0.000 1.047 1274 V CA 1.947 64.212 62.300 -0.059 0.000 1.035 1274 V CB -0.583 31.191 31.823 -0.081 0.000 0.658 1274 V HN 0.572 nan 8.190 nan 0.000 0.452 1275 I N -0.469 120.074 120.570 -0.045 0.000 2.252 1275 I HA -0.149 4.023 4.170 0.004 0.000 0.245 1275 I C 2.639 178.774 176.117 0.030 0.000 1.102 1275 I CA 1.185 62.487 61.300 0.004 0.000 1.385 1275 I CB -0.364 37.604 38.000 -0.053 0.000 1.064 1275 I HN 0.326 nan 8.210 nan 0.000 0.414 1276 E N 0.946 121.119 120.200 -0.044 0.000 2.028 1276 E HA -0.148 4.204 4.350 0.004 0.000 0.191 1276 E C 2.294 178.958 176.600 0.105 0.000 0.988 1276 E CA 1.529 57.929 56.400 -0.000 0.000 0.799 1276 E CB -0.708 28.946 29.700 -0.077 0.000 0.755 1276 E HN 0.519 nan 8.360 nan 0.000 0.447 1277 G N 1.339 110.194 108.800 0.090 0.000 2.442 1277 G HA2 -0.219 3.743 3.960 0.004 0.000 0.219 1277 G HA3 -0.219 3.743 3.960 0.004 0.000 0.219 1277 G C 1.745 176.821 174.900 0.292 0.000 1.141 1277 G CA 1.331 46.566 45.100 0.224 0.000 0.763 1277 G HN 0.374 nan 8.290 nan 0.000 0.554 1278 A N 0.716 123.664 122.820 0.214 0.000 1.898 1278 A HA 0.038 4.360 4.320 0.004 0.000 0.216 1278 A C 2.303 180.041 177.584 0.258 0.000 1.181 1278 A CA 1.799 53.988 52.037 0.254 0.000 0.620 1278 A CB -0.305 18.851 19.000 0.261 0.000 0.819 1278 A HN 0.343 nan 8.150 nan 0.000 0.442 1279 K N -1.700 118.827 120.400 0.212 0.000 2.148 1279 K HA -0.089 4.233 4.320 0.004 0.000 0.204 1279 K C 1.760 178.384 176.600 0.039 0.000 1.050 1279 K CA 1.395 57.704 56.287 0.036 0.000 0.942 1279 K CB -0.280 32.244 32.500 0.041 0.000 0.724 1279 K HN 0.540 nan 8.250 nan 0.000 0.446 1280 F N 1.719 121.678 119.950 0.015 0.000 2.113 1280 F HA -0.100 4.429 4.527 0.004 0.000 0.297 1280 F C 1.889 177.669 175.800 -0.034 0.000 1.103 1280 F CA 1.195 59.200 58.000 0.009 0.000 1.248 1280 F CB -0.067 38.989 39.000 0.094 0.000 0.999 1280 F HN -0.143 nan 8.300 nan 0.000 0.475 1281 I N -0.184 120.506 120.570 0.199 0.000 2.700 1281 I HA -0.262 3.911 4.170 0.004 0.000 0.261 1281 I C 1.300 177.377 176.117 -0.067 0.000 1.219 1281 I CA 0.888 62.215 61.300 0.045 0.000 1.463 1281 I CB -0.299 37.774 38.000 0.121 0.000 1.092 1281 I HN 0.220 nan 8.210 nan 0.000 0.452 1282 M N 0.178 119.725 119.600 -0.088 0.000 2.419 1282 M HA 0.240 4.722 4.480 0.004 0.000 0.252 1282 M C 1.061 177.219 176.300 -0.237 0.000 1.143 1282 M CA -0.199 55.005 55.300 -0.160 0.000 0.985 1282 M CB -0.119 32.335 32.600 -0.244 0.000 1.489 1282 M HN 0.070 nan 8.290 nan 0.000 0.484 1283 G N 0.137 108.768 108.800 -0.283 0.000 2.481 1283 G HA2 0.281 4.244 3.960 0.004 0.000 0.251 1283 G HA3 0.281 4.244 3.960 0.004 0.000 0.251 1283 G C 0.130 174.876 174.900 -0.256 0.000 1.492 1283 G CA 0.122 45.036 45.100 -0.311 0.000 1.060 1283 G HN 0.411 nan 8.290 nan 0.000 0.553 1284 D N -2.514 117.739 120.400 -0.246 0.000 3.374 1284 D HA 0.342 4.984 4.640 0.004 0.000 0.259 1284 D C 0.057 176.254 176.300 -0.172 0.000 1.376 1284 D CA -0.321 53.573 54.000 -0.178 0.000 1.030 1284 D CB 0.198 40.920 40.800 -0.131 0.000 1.281 1284 D HN 0.290 nan 8.370 nan 0.000 0.637 1285 S N 0.000 115.628 115.700 -0.119 0.000 2.498 1285 S HA 0.000 4.472 4.470 0.004 0.000 0.327 1285 S CA 0.000 58.143 58.200 -0.095 0.000 1.107 1285 S CB 0.000 63.160 63.200 -0.067 0.000 0.593 1285 S HN 0.000 nan 8.310 nan 0.000 0.517