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 2rfi_1_B DATA FIRST_RESID 978 DATA SEQUENCE IVSRDIARGY ERIPIPCVNA VDSEPCPSNY KYVSQNCVTS PMNIDRNITH DATA SEQUENCE LQYCVCIDDC SSSNCMCGQL SMRCWYDKDG RLLPEFNMAE PPLIFECNHA DATA SEQUENCE CSCWRNCRNR VVQNGLRARL QLYRTRDMGW GVRSLQDIPP GTFVCEYVGE DATA SEQUENCE LISDSEADVR EEDSYLFDLX XXXXXVYCID ARFYGNVSRF INHHCEPNLV DATA SEQUENCE PVRVFMAHQD LRFPRIAFFS TRLIEAGEQL GFDYGERFWD IKGKLFSCRC DATA SEQUENCE GSPKCRHS 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 978 I HA 0.000 nan 4.170 nan 0.000 0.288 978 I C 0.000 176.136 176.117 0.032 0.000 1.063 978 I CA 0.000 61.321 61.300 0.035 0.000 1.566 978 I CB 0.000 38.011 38.000 0.018 0.000 1.214 979 V N 0.713 120.651 119.914 0.039 0.000 3.621 979 V HA 0.443 4.562 4.120 -0.001 0.000 0.285 979 V C 0.516 176.603 176.094 -0.011 0.000 1.346 979 V CA 0.294 62.612 62.300 0.030 0.000 1.104 979 V CB 0.808 32.673 31.823 0.071 0.000 0.913 979 V HN 0.630 nan 8.190 nan 0.000 0.432 980 S N -0.403 115.282 115.700 -0.025 0.000 2.570 980 S HA 0.474 4.943 4.470 -0.001 0.000 0.286 980 S C 0.286 174.861 174.600 -0.042 0.000 1.143 980 S CA -0.644 57.528 58.200 -0.046 0.000 0.921 980 S CB 1.840 64.991 63.200 -0.082 0.000 1.108 980 S HN 0.339 nan 8.310 nan 0.000 0.456 981 R N 1.502 121.978 120.500 -0.039 0.000 2.148 981 R HA 0.130 4.469 4.340 -0.001 0.000 0.223 981 R C -0.455 175.815 176.300 -0.050 0.000 1.088 981 R CA 0.851 56.929 56.100 -0.036 0.000 0.985 981 R CB 0.104 30.385 30.300 -0.031 0.000 0.880 981 R HN 0.603 nan 8.270 nan 0.000 0.451 982 D N -0.764 119.594 120.400 -0.070 0.000 2.369 982 D HA 0.019 4.658 4.640 -0.001 0.000 0.212 982 D C 0.538 176.751 176.300 -0.145 0.000 1.326 982 D CA -0.331 53.611 54.000 -0.098 0.000 0.933 982 D CB 0.770 41.518 40.800 -0.086 0.000 1.516 982 D HN 0.045 nan 8.370 nan 0.000 0.557 983 I N 0.818 121.281 120.570 -0.179 0.000 2.756 983 I HA 0.100 4.269 4.170 -0.001 0.000 0.262 983 I C 1.519 177.346 176.117 -0.484 0.000 1.225 983 I CA 1.021 62.194 61.300 -0.213 0.000 1.472 983 I CB 0.062 38.006 38.000 -0.093 0.000 1.094 983 I HN 0.247 nan 8.210 nan 0.000 0.454 984 A N 1.157 123.602 122.820 -0.625 0.000 2.218 984 A HA 0.183 4.502 4.320 -0.001 0.000 0.209 984 A C 1.476 178.920 177.584 -0.234 0.000 1.168 984 A CA -0.067 51.436 52.037 -0.890 0.000 0.804 984 A CB -0.401 18.203 19.000 -0.659 0.000 0.834 984 A HN 0.535 nan 8.150 nan 0.000 0.482 985 R N -2.109 118.314 120.500 -0.128 0.000 3.516 985 R HA -0.232 4.107 4.340 -0.001 0.000 0.271 985 R C 1.000 177.325 176.300 0.041 0.000 1.098 985 R CA 0.485 56.590 56.100 0.008 0.000 0.732 985 R CB -2.543 27.811 30.300 0.090 0.000 1.152 985 R HN 1.549 nan 8.270 nan 0.000 0.455 986 G N -1.660 107.128 108.800 -0.020 0.000 2.176 986 G HA2 -0.388 3.571 3.960 -0.001 0.000 0.253 986 G HA3 -0.388 3.571 3.960 -0.001 0.000 0.253 986 G C 0.373 175.212 174.900 -0.101 0.000 0.979 986 G CA 0.418 45.472 45.100 -0.076 0.000 0.641 986 G HN 0.441 nan 8.290 nan 0.000 0.530 987 Y N 1.154 121.425 120.300 -0.048 0.000 2.561 987 Y HA 0.230 4.779 4.550 -0.002 0.000 0.291 987 Y C 1.715 177.633 175.900 0.029 0.000 1.141 987 Y CA 1.163 59.267 58.100 0.007 0.000 1.303 987 Y CB 0.357 38.852 38.460 0.058 0.000 1.015 987 Y HN 0.285 nan 8.280 nan 0.000 0.547 988 E N -0.479 119.797 120.200 0.127 0.000 2.239 988 E HA 0.247 4.596 4.350 -0.001 0.000 0.261 988 E C 0.750 177.375 176.600 0.042 0.000 1.016 988 E CA -0.566 55.893 56.400 0.098 0.000 0.882 988 E CB 0.807 30.563 29.700 0.093 0.000 1.190 988 E HN 0.177 nan 8.360 nan 0.000 0.415 989 R N -0.004 120.521 120.500 0.042 0.000 2.120 989 R HA -0.063 4.276 4.340 -0.001 0.000 0.234 989 R C 0.790 177.094 176.300 0.007 0.000 1.123 989 R CA 1.146 57.259 56.100 0.021 0.000 0.975 989 R CB -0.420 29.897 30.300 0.028 0.000 0.866 989 R HN 0.372 nan 8.270 nan 0.000 0.446 990 I N -3.007 117.567 120.570 0.007 0.000 2.934 990 I HA 0.445 4.614 4.170 -0.001 0.000 0.306 990 I C -2.760 173.349 176.117 -0.012 0.000 1.110 990 I CA -3.435 57.863 61.300 -0.004 0.000 1.019 990 I CB 1.647 39.645 38.000 -0.003 0.000 1.227 990 I HN -0.254 nan 8.210 nan 0.000 0.434 991 P HA 0.370 nan 4.420 nan 0.000 0.274 991 P C -0.760 176.520 177.300 -0.033 0.000 1.237 991 P CA 0.056 63.133 63.100 -0.038 0.000 0.793 991 P CB 0.968 32.645 31.700 -0.038 0.000 0.977 992 I N 2.516 123.055 120.570 -0.052 0.000 2.502 992 I HA 0.258 4.428 4.170 -0.001 0.000 0.276 992 I C -2.309 173.778 176.117 -0.049 0.000 1.057 992 I CA -2.585 58.695 61.300 -0.033 0.000 1.163 992 I CB 1.490 39.482 38.000 -0.012 0.000 1.288 992 I HN 0.091 nan 8.210 nan 0.000 0.479 993 P HA 0.068 nan 4.420 nan 0.000 0.272 993 P C -0.713 176.567 177.300 -0.034 0.000 1.240 993 P CA -0.452 62.628 63.100 -0.033 0.000 0.791 993 P CB 0.853 32.545 31.700 -0.014 0.000 0.978 994 C N 2.717 121.990 119.300 -0.045 0.000 2.369 994 C HA 0.708 5.167 4.460 -0.001 0.000 0.322 994 C C -0.397 174.619 174.990 0.044 0.000 1.258 994 C CA -0.320 58.669 59.018 -0.048 0.000 1.487 994 C CB -0.395 27.233 27.740 -0.188 0.000 2.165 994 C HN 0.490 nan 8.230 nan 0.000 0.483 995 V N 4.572 124.570 119.914 0.140 0.000 2.864 995 V HA 0.734 4.853 4.120 -0.001 0.000 0.314 995 V C -0.878 175.376 176.094 0.267 0.000 1.073 995 V CA -0.460 61.940 62.300 0.166 0.000 0.956 995 V CB 1.961 33.855 31.823 0.118 0.000 1.023 995 V HN 0.880 nan 8.190 nan 0.000 0.435 996 N N 1.828 120.643 118.700 0.192 0.000 2.295 996 N HA 0.796 5.535 4.740 -0.001 0.000 0.293 996 N C -0.080 175.475 175.510 0.075 0.000 1.040 996 N CA 0.165 53.302 53.050 0.145 0.000 0.840 996 N CB 2.416 40.993 38.487 0.149 0.000 1.468 996 N HN 1.086 nan 8.380 nan 0.000 0.478 997 A N 2.059 124.908 122.820 0.048 0.000 2.548 997 A HA 0.155 4.474 4.320 -0.001 0.000 0.236 997 A C 1.232 178.818 177.584 0.003 0.000 1.246 997 A CA 0.549 52.605 52.037 0.031 0.000 0.993 997 A CB -0.128 18.899 19.000 0.045 0.000 1.209 997 A HN 0.523 nan 8.150 nan 0.000 0.570 998 V N -1.331 118.566 119.914 -0.029 0.000 3.048 998 V HA 0.305 4.424 4.120 -0.001 0.000 0.241 998 V C 0.293 176.349 176.094 -0.063 0.000 1.129 998 V CA 1.445 63.716 62.300 -0.049 0.000 1.128 998 V CB 0.186 31.968 31.823 -0.070 0.000 0.849 998 V HN 0.500 nan 8.190 nan 0.000 0.475 999 D N 0.062 120.412 120.400 -0.084 0.000 3.076 999 D HA 0.313 4.952 4.640 -0.001 0.000 0.301 999 D C 0.852 177.127 176.300 -0.042 0.000 1.260 999 D CA 0.585 54.542 54.000 -0.072 0.000 1.027 999 D CB 0.592 41.329 40.800 -0.105 0.000 1.370 999 D HN 0.188 nan 8.370 nan 0.000 0.602 1000 S N -1.992 113.691 115.700 -0.029 0.000 2.524 1000 S HA 0.111 4.580 4.470 -0.001 0.000 0.215 1000 S C 0.365 174.988 174.600 0.039 0.000 0.986 1000 S CA -0.381 57.823 58.200 0.007 0.000 0.911 1000 S CB -0.297 62.907 63.200 0.008 0.000 0.805 1000 S HN 0.378 nan 8.310 nan 0.000 0.501 1001 E N 4.134 124.352 120.200 0.031 0.000 2.465 1001 E HA 0.171 4.521 4.350 -0.001 0.000 0.260 1001 E C -2.168 174.584 176.600 0.253 0.000 0.980 1001 E CA -1.051 55.425 56.400 0.126 0.000 0.927 1001 E CB 0.348 30.101 29.700 0.087 0.000 0.934 1001 E HN 0.377 nan 8.360 nan 0.000 0.459 1002 P HA 0.047 nan 4.420 nan 0.000 0.279 1002 P C 0.081 177.504 177.300 0.206 0.000 1.276 1002 P CA -0.654 62.559 63.100 0.189 0.000 0.801 1002 P CB 0.665 32.429 31.700 0.107 0.000 1.127 1003 C N 2.060 121.379 119.300 0.031 0.000 2.538 1003 C HA 0.100 4.560 4.460 -0.001 0.000 0.408 1003 C C -1.888 173.000 174.990 -0.169 0.000 1.421 1003 C CA -0.712 58.184 59.018 -0.204 0.000 1.642 1003 C CB -1.712 25.930 27.740 -0.164 0.000 2.553 1003 C HN 0.402 nan 8.230 nan 0.000 0.604 1004 P HA 0.095 nan 4.420 nan 0.000 0.265 1004 P C 0.017 177.389 177.300 0.121 0.000 1.193 1004 P CA 0.610 63.674 63.100 -0.060 0.000 0.765 1004 P CB 0.574 32.192 31.700 -0.136 0.000 0.823 1005 S N 0.152 115.934 115.700 0.136 0.000 2.993 1005 S HA 0.029 4.498 4.470 -0.001 0.000 0.257 1005 S C 0.669 175.292 174.600 0.039 0.000 0.997 1005 S CA -0.496 57.727 58.200 0.038 0.000 1.191 1005 S CB -0.728 62.469 63.200 -0.006 0.000 1.143 1005 S HN 0.423 nan 8.310 nan 0.000 0.655 1006 N N 1.706 120.496 118.700 0.150 0.000 2.313 1006 N HA 0.146 4.885 4.740 -0.001 0.000 0.207 1006 N C -0.028 175.546 175.510 0.106 0.000 1.141 1006 N CA -0.421 52.688 53.050 0.100 0.000 0.830 1006 N CB -0.609 37.933 38.487 0.092 0.000 1.008 1006 N HN 0.821 nan 8.380 nan 0.000 0.481 1007 Y N -2.194 118.044 120.300 -0.104 0.000 2.644 1007 Y HA 0.715 5.265 4.550 -0.001 0.000 0.338 1007 Y C -0.844 174.985 175.900 -0.118 0.000 1.119 1007 Y CA -1.761 56.231 58.100 -0.181 0.000 1.060 1007 Y CB 0.915 39.206 38.460 -0.281 0.000 1.294 1007 Y HN -0.229 nan 8.280 nan 0.000 0.472 1008 K N 1.630 121.831 120.400 -0.332 0.000 2.265 1008 K HA 0.293 4.612 4.320 -0.001 0.000 0.267 1008 K C -1.942 174.545 176.600 -0.187 0.000 0.994 1008 K CA -0.724 55.381 56.287 -0.304 0.000 0.860 1008 K CB 0.377 32.837 32.500 -0.066 0.000 1.099 1008 K HN 0.741 nan 8.250 nan 0.000 0.448 1009 Y N 5.078 125.146 120.300 -0.386 0.000 2.496 1009 Y HA 0.284 4.833 4.550 -0.002 0.000 0.334 1009 Y C -0.278 175.557 175.900 -0.107 0.000 1.080 1009 Y CA 0.082 58.131 58.100 -0.085 0.000 1.355 1009 Y CB 0.483 38.903 38.460 -0.068 0.000 1.193 1009 Y HN 0.358 nan 8.280 nan 0.000 0.523 1010 V N 2.588 122.376 119.914 -0.210 0.000 2.735 1010 V HA 0.426 4.546 4.120 -0.001 0.000 0.310 1010 V C 0.218 176.181 176.094 -0.218 0.000 1.061 1010 V CA -0.100 62.103 62.300 -0.162 0.000 0.913 1010 V CB 1.531 33.286 31.823 -0.112 0.000 1.005 1010 V HN 0.810 nan 8.190 nan 0.000 0.428 1011 S N 2.153 117.831 115.700 -0.038 0.000 2.528 1011 S HA 0.268 4.737 4.470 -0.001 0.000 0.219 1011 S C 0.473 175.078 174.600 0.008 0.000 0.985 1011 S CA -0.026 58.220 58.200 0.077 0.000 0.914 1011 S CB -0.289 63.056 63.200 0.241 0.000 0.776 1011 S HN 0.891 nan 8.310 nan 0.000 0.526 1012 Q N 0.747 120.526 119.800 -0.035 0.000 2.456 1012 Q HA 0.449 4.789 4.340 -0.001 0.000 0.283 1012 Q C -1.248 174.708 176.000 -0.074 0.000 1.084 1012 Q CA -1.097 54.682 55.803 -0.040 0.000 0.801 1012 Q CB 0.976 29.705 28.738 -0.016 0.000 1.434 1012 Q HN 0.098 nan 8.270 nan 0.000 0.419 1013 N N 0.530 119.189 118.700 -0.069 0.000 2.395 1013 N HA 0.098 4.837 4.740 -0.001 0.000 0.246 1013 N C -0.383 175.069 175.510 -0.096 0.000 1.246 1013 N CA 0.252 53.258 53.050 -0.073 0.000 0.879 1013 N CB 0.341 38.797 38.487 -0.051 0.000 1.098 1013 N HN 0.660 nan 8.380 nan 0.000 0.444 1014 C N -0.995 118.235 119.300 -0.116 0.000 3.161 1014 C HA 0.901 5.360 4.460 -0.001 0.000 0.330 1014 C C -0.057 174.840 174.990 -0.155 0.000 1.396 1014 C CA -0.949 57.967 59.018 -0.170 0.000 1.536 1014 C CB 0.857 28.429 27.740 -0.281 0.000 1.978 1014 C HN 0.524 nan 8.230 nan 0.000 0.454 1015 V N -1.140 118.668 119.914 -0.177 0.000 3.040 1015 V HA 0.883 5.002 4.120 -0.001 0.000 0.312 1015 V C 0.443 176.447 176.094 -0.150 0.000 1.115 1015 V CA 0.394 62.617 62.300 -0.128 0.000 0.998 1015 V CB 1.079 32.836 31.823 -0.111 0.000 1.042 1015 V HN 1.299 nan 8.190 nan 0.000 0.433 1016 T N -0.398 114.107 114.554 -0.081 0.000 3.535 1016 T HA 0.213 4.562 4.350 -0.001 0.000 0.223 1016 T C 0.935 175.613 174.700 -0.037 0.000 0.933 1016 T CA 0.691 62.752 62.100 -0.064 0.000 1.445 1016 T CB -0.539 68.318 68.868 -0.018 0.000 1.286 1016 T HN 0.774 nan 8.240 nan 0.000 0.436 1017 S N 4.006 119.704 115.700 -0.002 0.000 2.560 1017 S HA 0.313 4.782 4.470 -0.001 0.000 0.284 1017 S C -2.269 172.331 174.600 0.001 0.000 1.327 1017 S CA -0.838 57.368 58.200 0.010 0.000 1.055 1017 S CB 0.128 63.352 63.200 0.040 0.000 0.868 1017 S HN 0.493 nan 8.310 nan 0.000 0.506 1018 P HA 0.119 nan 4.420 nan 0.000 0.268 1018 P C -0.944 176.345 177.300 -0.018 0.000 1.204 1018 P CA 0.037 63.120 63.100 -0.028 0.000 0.768 1018 P CB 0.363 32.050 31.700 -0.021 0.000 0.842 1019 M N 3.233 122.775 119.600 -0.097 0.000 2.167 1019 M HA 0.148 4.627 4.480 -0.001 0.000 0.333 1019 M C 0.646 176.813 176.300 -0.222 0.000 1.030 1019 M CA -0.682 54.520 55.300 -0.163 0.000 0.963 1019 M CB 1.083 33.455 32.600 -0.380 0.000 1.589 1019 M HN 0.267 nan 8.290 nan 0.000 0.431 1020 N N 3.973 122.615 118.700 -0.097 0.000 3.243 1020 N HA 0.136 4.875 4.740 -0.001 0.000 0.310 1020 N C -0.349 175.101 175.510 -0.100 0.000 1.313 1020 N CA 0.009 53.019 53.050 -0.067 0.000 1.204 1020 N CB -0.690 37.811 38.487 0.024 0.000 1.483 1020 N HN 0.660 nan 8.380 nan 0.000 0.553 1021 I N 0.031 120.410 120.570 -0.318 0.000 2.683 1021 I HA -0.106 4.063 4.170 -0.001 0.000 0.286 1021 I C 0.665 176.683 176.117 -0.165 0.000 1.175 1021 I CA -0.001 61.076 61.300 -0.372 0.000 1.429 1021 I CB 0.211 37.792 38.000 -0.697 0.000 1.371 1021 I HN 0.186 nan 8.210 nan 0.000 0.569 1022 D N 6.963 127.334 120.400 -0.048 0.000 2.344 1022 D HA 0.065 4.704 4.640 -0.001 0.000 0.253 1022 D C 0.487 176.801 176.300 0.023 0.000 1.255 1022 D CA 0.144 54.164 54.000 0.034 0.000 0.894 1022 D CB 0.465 41.359 40.800 0.157 0.000 1.067 1022 D HN 0.383 nan 8.370 nan 0.000 0.492 1023 R N 2.826 123.319 120.500 -0.011 0.000 2.546 1023 R HA 0.107 4.446 4.340 -0.001 0.000 0.320 1023 R C 0.342 176.643 176.300 0.001 0.000 1.021 1023 R CA -0.596 55.520 56.100 0.025 0.000 1.088 1023 R CB 0.102 30.401 30.300 -0.001 0.000 1.278 1023 R HN 0.279 nan 8.270 nan 0.000 0.557 1024 N N 2.219 120.866 118.700 -0.088 0.000 2.438 1024 N HA -0.059 4.680 4.740 -0.001 0.000 0.267 1024 N C 0.984 176.434 175.510 -0.100 0.000 1.222 1024 N CA 0.231 53.153 53.050 -0.213 0.000 0.930 1024 N CB 0.709 38.799 38.487 -0.662 0.000 1.083 1024 N HN 0.240 nan 8.380 nan 0.000 0.476 1025 I N 3.209 123.760 120.570 -0.033 0.000 2.454 1025 I HA -0.265 3.904 4.170 -0.001 0.000 0.254 1025 I C 1.799 177.919 176.117 0.005 0.000 1.156 1025 I CA 1.393 62.700 61.300 0.012 0.000 1.433 1025 I CB -0.017 38.003 38.000 0.032 0.000 1.082 1025 I HN 0.697 nan 8.210 nan 0.000 0.432 1026 T N -3.702 110.851 114.554 -0.001 0.000 3.118 1026 T HA -0.119 4.231 4.350 -0.001 0.000 0.260 1026 T C 1.464 176.298 174.700 0.224 0.000 1.139 1026 T CA 0.932 63.080 62.100 0.081 0.000 1.085 1026 T CB -0.759 68.152 68.868 0.071 0.000 0.934 1026 T HN 0.550 nan 8.240 nan 0.000 0.518 1027 H N -0.094 119.011 119.070 0.058 0.000 2.548 1027 H HA 0.355 4.910 4.556 -0.001 0.000 0.265 1027 H C 0.316 175.690 175.328 0.076 0.000 0.969 1027 H CA -0.547 55.539 56.048 0.062 0.000 1.155 1027 H CB 0.184 29.983 29.762 0.062 0.000 1.394 1027 H HN 0.300 nan 8.280 nan 0.000 0.570 1028 L N 2.577 123.923 121.223 0.204 0.000 2.410 1028 L HA 0.020 4.359 4.340 -0.001 0.000 0.273 1028 L C 0.243 177.237 176.870 0.207 0.000 1.152 1028 L CA -0.279 54.664 54.840 0.171 0.000 0.855 1028 L CB 0.728 42.845 42.059 0.096 0.000 1.129 1028 L HN 0.182 nan 8.230 nan 0.000 0.463 1029 Q N 3.620 123.490 119.800 0.116 0.000 2.293 1029 Q HA 0.351 4.690 4.340 -0.001 0.000 0.251 1029 Q C -0.943 175.125 176.000 0.113 0.000 0.930 1029 Q CA -0.067 55.749 55.803 0.021 0.000 0.893 1029 Q CB 1.697 30.373 28.738 -0.103 0.000 1.215 1029 Q HN 0.521 nan 8.270 nan 0.000 0.425 1030 Y N -2.027 118.256 120.300 -0.028 0.000 2.670 1030 Y HA 0.637 5.186 4.550 -0.001 0.000 0.334 1030 Y C -0.676 175.217 175.900 -0.013 0.000 1.185 1030 Y CA -1.635 56.455 58.100 -0.017 0.000 1.053 1030 Y CB 0.533 38.975 38.460 -0.030 0.000 1.298 1030 Y HN 0.700 nan 8.280 nan 0.000 0.459 1031 C N 0.347 119.737 119.300 0.150 0.000 2.486 1031 C HA 0.856 5.315 4.460 -0.001 0.000 0.348 1031 C C 0.731 175.822 174.990 0.168 0.000 1.203 1031 C CA -0.135 58.921 59.018 0.063 0.000 1.911 1031 C CB 1.005 28.780 27.740 0.059 0.000 2.340 1031 C HN 1.293 nan 8.230 nan 0.000 0.511 1032 V N -1.656 118.313 119.914 0.090 0.000 2.988 1032 V HA 0.283 4.402 4.120 -0.001 0.000 0.356 1032 V C 0.485 176.630 176.094 0.085 0.000 1.380 1032 V CA -0.335 62.033 62.300 0.114 0.000 1.184 1032 V CB -1.846 30.031 31.823 0.091 0.000 1.204 1032 V HN 0.980 nan 8.190 nan 0.000 0.530 1033 C N 2.013 121.363 119.300 0.083 0.000 2.657 1033 C HA 0.287 4.746 4.460 -0.001 0.000 0.420 1033 C C 2.004 177.047 174.990 0.088 0.000 1.323 1033 C CA 0.186 59.247 59.018 0.071 0.000 1.894 1033 C CB -0.260 27.522 27.740 0.069 0.000 2.681 1033 C HN 0.833 nan 8.230 nan 0.000 0.613 1034 I N -0.150 120.460 120.570 0.066 0.000 3.956 1034 I HA 0.228 4.397 4.170 -0.001 0.000 0.333 1034 I C 0.485 176.628 176.117 0.043 0.000 1.302 1034 I CA 0.089 61.429 61.300 0.067 0.000 1.122 1034 I CB -0.483 37.547 38.000 0.048 0.000 1.013 1034 I HN 0.657 nan 8.210 nan 0.000 0.405 1035 D N 0.858 121.282 120.400 0.039 0.000 2.658 1035 D HA 0.060 4.699 4.640 -0.001 0.000 0.243 1035 D C 0.222 176.539 176.300 0.027 0.000 1.159 1035 D CA -0.178 53.831 54.000 0.014 0.000 1.084 1035 D CB -0.137 40.667 40.800 0.008 0.000 1.227 1035 D HN 0.155 nan 8.370 nan 0.000 0.636 1036 D N -0.963 119.447 120.400 0.017 0.000 2.460 1036 D HA 0.060 4.700 4.640 -0.001 0.000 0.229 1036 D C -0.001 176.333 176.300 0.058 0.000 1.170 1036 D CA -0.584 53.437 54.000 0.035 0.000 0.827 1036 D CB -1.273 39.535 40.800 0.013 0.000 0.973 1036 D HN 0.433 nan 8.370 nan 0.000 0.496 1037 C N 0.785 120.119 119.300 0.057 0.000 4.454 1037 C HA -0.129 4.330 4.460 -0.001 0.000 0.301 1037 C C 1.571 176.586 174.990 0.043 0.000 1.366 1037 C CA 0.782 59.834 59.018 0.057 0.000 2.016 1037 C CB -3.252 24.539 27.740 0.084 0.000 1.253 1037 C HN 0.615 nan 8.230 nan 0.000 0.770 1038 S N -1.624 114.092 115.700 0.026 0.000 2.559 1038 S HA 0.335 4.804 4.470 -0.001 0.000 0.226 1038 S C 0.439 175.035 174.600 -0.007 0.000 1.000 1038 S CA 0.515 58.724 58.200 0.014 0.000 0.948 1038 S CB 0.300 63.511 63.200 0.019 0.000 0.870 1038 S HN 1.236 nan 8.310 nan 0.000 0.497 1039 S N 1.630 117.325 115.700 -0.009 0.000 2.687 1039 S HA 0.462 4.931 4.470 -0.001 0.000 0.283 1039 S C 1.098 175.675 174.600 -0.037 0.000 1.170 1039 S CA 0.063 58.251 58.200 -0.021 0.000 1.008 1039 S CB 1.431 64.623 63.200 -0.014 0.000 1.026 1039 S HN 0.427 nan 8.310 nan 0.000 0.541 1040 S N 1.115 116.787 115.700 -0.047 0.000 2.547 1040 S HA -0.074 4.395 4.470 -0.001 0.000 0.235 1040 S C 0.934 175.501 174.600 -0.055 0.000 0.980 1040 S CA 0.828 58.990 58.200 -0.063 0.000 0.941 1040 S CB -1.025 62.137 63.200 -0.063 0.000 0.763 1040 S HN 0.819 nan 8.310 nan 0.000 0.532 1041 N N 0.287 118.963 118.700 -0.040 0.000 2.457 1041 N HA 0.102 4.841 4.740 -0.001 0.000 0.180 1041 N C 0.447 175.935 175.510 -0.037 0.000 1.050 1041 N CA 0.297 53.325 53.050 -0.037 0.000 0.906 1041 N CB -0.106 38.365 38.487 -0.025 0.000 0.968 1041 N HN 0.417 nan 8.380 nan 0.000 0.445 1042 C N 1.502 120.784 119.300 -0.030 0.000 2.648 1042 C HA 0.061 4.520 4.460 -0.001 0.000 0.406 1042 C C 2.030 176.996 174.990 -0.040 0.000 1.406 1042 C CA -0.452 58.555 59.018 -0.019 0.000 1.610 1042 C CB -0.729 27.011 27.740 -0.001 0.000 2.451 1042 C HN 0.390 nan 8.230 nan 0.000 0.608 1043 M N 5.438 125.007 119.600 -0.051 0.000 2.149 1043 M HA -0.054 4.425 4.480 -0.001 0.000 0.261 1043 M C 1.952 178.207 176.300 -0.075 0.000 1.064 1043 M CA 2.233 57.481 55.300 -0.088 0.000 1.102 1043 M CB -0.924 31.597 32.600 -0.132 0.000 1.369 1043 M HN 0.829 nan 8.290 nan 0.000 0.408 1044 C N -0.196 119.094 119.300 -0.017 0.000 2.440 1044 C HA 0.058 4.517 4.460 -0.001 0.000 0.278 1044 C C 2.732 177.745 174.990 0.040 0.000 1.295 1044 C CA 0.636 59.676 59.018 0.037 0.000 1.738 1044 C CB -2.173 25.633 27.740 0.109 0.000 1.987 1044 C HN 0.744 nan 8.230 nan 0.000 0.492 1045 G N -0.051 108.748 108.800 -0.000 0.000 2.422 1045 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.218 1045 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.218 1045 G C 1.589 176.437 174.900 -0.088 0.000 1.146 1045 G CA 0.563 45.628 45.100 -0.058 0.000 0.769 1045 G HN 0.684 nan 8.290 nan 0.000 0.547 1046 Q N -0.281 119.467 119.800 -0.087 0.000 2.084 1046 Q HA 0.048 4.387 4.340 -0.001 0.000 0.202 1046 Q C 2.633 178.569 176.000 -0.106 0.000 0.978 1046 Q CA 0.805 56.548 55.803 -0.100 0.000 0.844 1046 Q CB -0.259 28.418 28.738 -0.102 0.000 0.898 1046 Q HN 0.434 nan 8.270 nan 0.000 0.426 1047 L N 0.166 121.294 121.223 -0.159 0.000 2.131 1047 L HA -0.161 4.178 4.340 -0.001 0.000 0.210 1047 L C 1.956 178.795 176.870 -0.052 0.000 1.092 1047 L CA 0.818 55.468 54.840 -0.318 0.000 0.759 1047 L CB -0.141 41.487 42.059 -0.719 0.000 0.903 1047 L HN 0.082 nan 8.230 nan 0.000 0.435 1048 S N -1.108 114.680 115.700 0.146 0.000 2.593 1048 S HA 0.122 4.591 4.470 -0.001 0.000 0.217 1048 S C 1.223 176.002 174.600 0.297 0.000 0.966 1048 S CA 0.316 58.728 58.200 0.354 0.000 0.914 1048 S CB 0.203 63.583 63.200 0.301 0.000 0.776 1048 S HN 0.366 nan 8.310 nan 0.000 0.523 1049 M N -1.047 118.616 119.600 0.106 0.000 2.854 1049 M HA -0.286 4.193 4.480 -0.001 0.000 0.164 1049 M C 0.394 176.586 176.300 -0.180 0.000 0.673 1049 M CA 1.799 57.120 55.300 0.035 0.000 0.627 1049 M CB -0.841 31.895 32.600 0.226 0.000 2.282 1049 M HN 0.554 nan 8.290 nan 0.000 0.267 1050 R N -0.090 120.124 120.500 -0.477 0.000 2.752 1050 R HA 0.686 5.025 4.340 -0.001 0.000 0.271 1050 R C -0.923 174.899 176.300 -0.796 0.000 1.026 1050 R CA -0.599 55.124 56.100 -0.628 0.000 0.901 1050 R CB 1.892 31.733 30.300 -0.765 0.000 1.243 1050 R HN 0.361 nan 8.270 nan 0.000 0.463 1051 C N 1.569 120.575 119.300 -0.489 0.000 2.627 1051 C HA 0.260 4.720 4.460 -0.001 0.000 0.404 1051 C C 0.399 175.110 174.990 -0.464 0.000 1.340 1051 C CA -0.452 58.349 59.018 -0.361 0.000 1.758 1051 C CB -1.222 26.445 27.740 -0.122 0.000 2.501 1051 C HN 0.868 nan 8.230 nan 0.000 0.588 1052 W N 3.253 124.409 121.300 -0.241 0.000 3.290 1052 W HA 0.251 4.910 4.660 -0.002 0.000 0.287 1052 W C 0.088 176.487 176.519 -0.201 0.000 1.288 1052 W CA -0.582 56.639 57.345 -0.206 0.000 1.725 1052 W CB -0.179 29.166 29.460 -0.193 0.000 1.103 1052 W HN 0.611 nan 8.180 nan 0.000 0.670 1053 Y N 2.224 122.620 120.300 0.161 0.000 2.320 1053 Y HA 0.183 4.732 4.550 -0.002 0.000 0.334 1053 Y C 0.828 176.778 175.900 0.083 0.000 1.055 1053 Y CA -2.099 56.068 58.100 0.112 0.000 1.143 1053 Y CB 0.088 38.611 38.460 0.104 0.000 1.193 1053 Y HN -0.084 nan 8.280 nan 0.000 0.477 1054 D N 1.905 122.457 120.400 0.253 0.000 2.447 1054 D HA 0.033 4.672 4.640 -0.001 0.000 0.265 1054 D C 1.159 177.539 176.300 0.132 0.000 1.250 1054 D CA -0.508 53.586 54.000 0.157 0.000 1.046 1054 D CB 0.649 41.525 40.800 0.127 0.000 1.095 1054 D HN 0.432 nan 8.370 nan 0.000 0.555 1055 K N -0.326 120.127 120.400 0.090 0.000 2.280 1055 K HA -0.150 4.169 4.320 -0.001 0.000 0.202 1055 K C -0.080 176.555 176.600 0.058 0.000 1.047 1055 K CA 1.182 57.509 56.287 0.067 0.000 0.942 1055 K CB -0.278 32.250 32.500 0.047 0.000 0.739 1055 K HN 0.361 nan 8.250 nan 0.000 0.457 1056 D N 0.658 121.098 120.400 0.067 0.000 2.340 1056 D HA 0.106 4.745 4.640 -0.001 0.000 0.217 1056 D C 0.695 177.027 176.300 0.054 0.000 1.081 1056 D CA 0.779 54.812 54.000 0.055 0.000 0.842 1056 D CB 0.443 41.278 40.800 0.059 0.000 0.934 1056 D HN 0.502 nan 8.370 nan 0.000 0.511 1057 G N 1.704 110.539 108.800 0.058 0.000 2.143 1057 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.248 1057 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.248 1057 G C 0.251 175.212 174.900 0.103 0.000 0.991 1057 G CA -0.196 44.900 45.100 -0.007 0.000 0.689 1057 G HN 0.301 nan 8.290 nan 0.000 0.522 1058 R N -0.559 120.051 120.500 0.183 0.000 2.474 1058 R HA 0.649 4.988 4.340 -0.001 0.000 0.295 1058 R C 0.828 177.278 176.300 0.250 0.000 0.980 1058 R CA -0.948 55.286 56.100 0.223 0.000 0.934 1058 R CB 1.169 31.561 30.300 0.154 0.000 1.101 1058 R HN 0.202 nan 8.270 nan 0.000 0.469 1059 L N 3.589 124.910 121.223 0.164 0.000 2.525 1059 L HA 0.027 4.366 4.340 -0.001 0.000 0.278 1059 L C 0.400 177.330 176.870 0.100 0.000 1.218 1059 L CA 0.085 54.916 54.840 -0.015 0.000 0.878 1059 L CB 0.021 41.796 42.059 -0.473 0.000 1.127 1059 L HN 0.375 nan 8.230 nan 0.000 0.492 1060 L N 5.020 126.365 121.223 0.204 0.000 2.483 1060 L HA 0.015 4.354 4.340 -0.001 0.000 0.275 1060 L C -1.121 175.883 176.870 0.222 0.000 1.220 1060 L CA -1.290 53.691 54.840 0.234 0.000 0.833 1060 L CB 0.042 42.290 42.059 0.315 0.000 1.102 1060 L HN 0.465 nan 8.230 nan 0.000 0.490 1061 P HA -0.196 nan 4.420 nan 0.000 0.217 1061 P C 0.861 178.261 177.300 0.166 0.000 1.151 1061 P CA 1.221 64.407 63.100 0.144 0.000 0.849 1061 P CB 0.217 31.983 31.700 0.111 0.000 0.787 1062 E N -1.887 118.443 120.200 0.217 0.000 2.409 1062 E HA -0.068 4.281 4.350 -0.001 0.000 0.198 1062 E C 0.492 177.210 176.600 0.196 0.000 1.024 1062 E CA 0.037 56.577 56.400 0.233 0.000 0.861 1062 E CB -0.774 29.112 29.700 0.309 0.000 0.788 1062 E HN 0.260 nan 8.360 nan 0.000 0.521 1063 F N 2.143 122.094 119.950 0.002 0.000 2.578 1063 F HA -0.009 4.517 4.527 -0.002 0.000 0.381 1063 F C 0.622 176.251 175.800 -0.284 0.000 1.069 1063 F CA -0.320 57.461 58.000 -0.366 0.000 1.231 1063 F CB 0.386 39.181 39.000 -0.342 0.000 1.086 1063 F HN -0.161 nan 8.300 nan 0.000 0.564 1064 N N 7.045 125.206 118.700 -0.897 0.000 2.508 1064 N HA 0.046 4.785 4.740 -0.001 0.000 0.253 1064 N C 0.657 175.898 175.510 -0.448 0.000 1.145 1064 N CA 0.116 52.852 53.050 -0.523 0.000 0.973 1064 N CB 0.406 38.618 38.487 -0.460 0.000 1.305 1064 N HN 0.839 nan 8.380 nan 0.000 0.506 1065 M N 1.449 120.999 119.600 -0.083 0.000 2.476 1065 M HA -0.051 4.428 4.480 -0.001 0.000 0.262 1065 M C 1.754 178.079 176.300 0.040 0.000 1.079 1065 M CA 0.685 56.036 55.300 0.085 0.000 1.104 1065 M CB 0.174 32.881 32.600 0.179 0.000 1.409 1065 M HN 0.571 nan 8.290 nan 0.000 0.467 1066 A N -0.317 122.494 122.820 -0.013 0.000 1.898 1066 A HA -0.037 4.282 4.320 -0.001 0.000 0.214 1066 A C 0.988 178.561 177.584 -0.018 0.000 1.183 1066 A CA 1.240 53.280 52.037 0.005 0.000 0.622 1066 A CB 0.040 19.039 19.000 -0.002 0.000 0.824 1066 A HN 0.314 nan 8.150 nan 0.000 0.444 1067 E N -0.069 120.076 120.200 -0.091 0.000 3.374 1067 E HA 0.350 4.699 4.350 -0.001 0.000 0.223 1067 E C -2.904 173.564 176.600 -0.220 0.000 1.210 1067 E CA -2.400 53.938 56.400 -0.103 0.000 0.987 1067 E CB 0.816 30.465 29.700 -0.084 0.000 1.322 1067 E HN 0.217 nan 8.360 nan 0.000 0.404 1068 P HA 0.147 nan 4.420 nan 0.000 0.271 1068 P C -2.382 174.737 177.300 -0.302 0.000 1.216 1068 P CA -1.023 61.826 63.100 -0.419 0.000 0.776 1068 P CB 0.223 31.870 31.700 -0.089 0.000 0.881 1069 P HA 0.175 nan 4.420 nan 0.000 0.275 1069 P C -0.535 176.774 177.300 0.014 0.000 1.266 1069 P CA -0.273 62.739 63.100 -0.147 0.000 0.793 1069 P CB 0.709 32.329 31.700 -0.133 0.000 1.074 1070 L N 0.520 121.831 121.223 0.147 0.000 2.380 1070 L HA 0.326 4.665 4.340 -0.001 0.000 0.273 1070 L C 0.694 177.713 176.870 0.247 0.000 1.138 1070 L CA -0.351 54.604 54.840 0.191 0.000 0.832 1070 L CB -0.075 42.160 42.059 0.293 0.000 1.124 1070 L HN 0.215 nan 8.230 nan 0.000 0.454 1071 I N 2.787 123.438 120.570 0.135 0.000 2.354 1071 I HA 0.265 4.435 4.170 -0.001 0.000 0.292 1071 I C -0.757 175.399 176.117 0.066 0.000 0.989 1071 I CA -0.187 61.230 61.300 0.195 0.000 1.188 1071 I CB 1.175 39.258 38.000 0.138 0.000 1.342 1071 I HN 0.359 nan 8.210 nan 0.000 0.457 1072 F N 5.175 125.266 119.950 0.234 0.000 2.332 1072 F HA 0.339 4.865 4.527 -0.002 0.000 0.368 1072 F C 0.763 176.667 175.800 0.173 0.000 1.110 1072 F CA -0.601 57.527 58.000 0.213 0.000 1.087 1072 F CB 0.751 39.832 39.000 0.135 0.000 1.235 1072 F HN 0.424 nan 8.300 nan 0.000 0.470 1073 E N 1.553 121.921 120.200 0.280 0.000 2.345 1073 E HA 0.226 4.575 4.350 -0.001 0.000 0.259 1073 E C -0.300 176.432 176.600 0.219 0.000 1.117 1073 E CA -0.728 55.822 56.400 0.250 0.000 0.913 1073 E CB 1.006 30.825 29.700 0.198 0.000 1.057 1073 E HN 0.512 nan 8.360 nan 0.000 0.432 1074 C N 1.955 121.367 119.300 0.186 0.000 2.727 1074 C HA 0.077 4.536 4.460 -0.001 0.000 0.401 1074 C C 0.670 175.743 174.990 0.138 0.000 1.294 1074 C CA -0.178 58.933 59.018 0.155 0.000 2.134 1074 C CB -0.966 26.858 27.740 0.140 0.000 2.724 1074 C HN 0.825 nan 8.230 nan 0.000 0.677 1075 N N -0.531 118.239 118.700 0.115 0.000 3.157 1075 N HA 0.315 5.054 4.740 -0.001 0.000 0.291 1075 N C 0.355 175.896 175.510 0.052 0.000 1.515 1075 N CA -0.698 52.413 53.050 0.102 0.000 0.807 1075 N CB 0.234 38.758 38.487 0.060 0.000 1.672 1075 N HN 0.745 nan 8.380 nan 0.000 0.592 1076 H N -2.113 116.968 119.070 0.019 0.000 2.559 1076 H HA 0.264 4.819 4.556 -0.002 0.000 0.273 1076 H C 0.905 176.194 175.328 -0.065 0.000 1.000 1076 H CA 0.953 56.987 56.048 -0.023 0.000 1.195 1076 H CB -0.379 29.366 29.762 -0.028 0.000 1.368 1076 H HN 0.645 nan 8.280 nan 0.000 0.592 1077 A N 1.088 123.674 122.820 -0.391 0.000 2.081 1077 A HA 0.100 4.419 4.320 -0.001 0.000 0.214 1077 A C 1.318 178.690 177.584 -0.353 0.000 1.158 1077 A CA -0.044 51.743 52.037 -0.418 0.000 0.724 1077 A CB -0.377 18.332 19.000 -0.485 0.000 0.826 1077 A HN 0.436 nan 8.150 nan 0.000 0.463 1078 C N 0.154 119.410 119.300 -0.074 0.000 2.703 1078 C HA 0.245 4.704 4.460 -0.001 0.000 0.411 1078 C C 2.074 177.086 174.990 0.037 0.000 1.290 1078 C CA 0.236 59.308 59.018 0.090 0.000 2.054 1078 C CB 0.573 28.389 27.740 0.127 0.000 2.732 1078 C HN 0.559 nan 8.230 nan 0.000 0.650 1079 S N 0.257 116.020 115.700 0.104 0.000 2.489 1079 S HA -0.048 4.422 4.470 -0.001 0.000 0.228 1079 S C 0.975 175.635 174.600 0.100 0.000 0.995 1079 S CA 0.353 58.599 58.200 0.075 0.000 0.934 1079 S CB -0.324 62.944 63.200 0.113 0.000 0.771 1079 S HN 0.949 nan 8.310 nan 0.000 0.522 1080 C N 0.434 119.817 119.300 0.138 0.000 2.639 1080 C HA 0.481 4.940 4.460 -0.001 0.000 0.360 1080 C C 0.456 175.579 174.990 0.222 0.000 1.351 1080 C CA -1.762 57.392 59.018 0.226 0.000 2.408 1080 C CB -0.962 26.891 27.740 0.188 0.000 2.517 1080 C HN 0.465 nan 8.230 nan 0.000 0.696 1081 W N 0.019 121.339 121.300 0.035 0.000 2.215 1081 W HA 0.535 5.195 4.660 -0.001 0.000 0.342 1081 W C 1.742 178.280 176.519 0.033 0.000 1.237 1081 W CA -0.345 57.018 57.345 0.030 0.000 1.283 1081 W CB 0.274 29.748 29.460 0.024 0.000 1.131 1081 W HN 0.742 nan 8.180 nan 0.000 0.606 1082 R N 1.895 122.509 120.500 0.191 0.000 2.241 1082 R HA -0.154 4.185 4.340 -0.001 0.000 0.224 1082 R C 0.874 177.255 176.300 0.136 0.000 1.101 1082 R CA 1.636 57.807 56.100 0.119 0.000 0.995 1082 R CB -0.701 29.637 30.300 0.063 0.000 0.870 1082 R HN 0.496 nan 8.270 nan 0.000 0.463 1083 N N -0.541 118.273 118.700 0.191 0.000 2.389 1083 N HA 0.024 4.763 4.740 -0.001 0.000 0.260 1083 N C -0.005 175.576 175.510 0.117 0.000 1.191 1083 N CA -0.052 53.077 53.050 0.132 0.000 0.885 1083 N CB -1.113 37.446 38.487 0.120 0.000 1.162 1083 N HN 0.300 nan 8.380 nan 0.000 0.512 1084 C N -0.591 118.792 119.300 0.140 0.000 2.705 1084 C HA 0.334 4.794 4.460 -0.001 0.000 0.348 1084 C C 2.109 177.156 174.990 0.094 0.000 1.386 1084 C CA -0.793 58.295 59.018 0.116 0.000 2.361 1084 C CB 0.717 28.540 27.740 0.138 0.000 2.486 1084 C HN 0.615 nan 8.230 nan 0.000 0.728 1085 R N 0.871 121.428 120.500 0.095 0.000 2.120 1085 R HA -0.124 4.215 4.340 -0.001 0.000 0.234 1085 R C 0.943 177.345 176.300 0.170 0.000 1.123 1085 R CA 1.893 58.059 56.100 0.110 0.000 0.975 1085 R CB -0.425 29.940 30.300 0.109 0.000 0.866 1085 R HN 0.856 nan 8.270 nan 0.000 0.446 1086 N N 0.928 119.742 118.700 0.189 0.000 2.802 1086 N HA 0.062 4.801 4.740 -0.001 0.000 0.288 1086 N C -1.293 174.362 175.510 0.242 0.000 1.268 1086 N CA -0.054 53.172 53.050 0.294 0.000 1.035 1086 N CB 0.135 38.755 38.487 0.222 0.000 1.353 1086 N HN 0.123 nan 8.380 nan 0.000 0.522 1087 R N -0.290 120.273 120.500 0.105 0.000 2.569 1087 R HA 0.341 4.680 4.340 -0.001 0.000 0.293 1087 R C -0.562 175.643 176.300 -0.158 0.000 1.186 1087 R CA -0.392 55.717 56.100 0.015 0.000 0.956 1087 R CB 1.449 31.772 30.300 0.038 0.000 1.196 1087 R HN -0.015 nan 8.270 nan 0.000 0.444 1088 V N 1.162 120.910 119.914 -0.277 0.000 3.629 1088 V HA -0.017 4.102 4.120 -0.001 0.000 0.194 1088 V C 1.503 177.340 176.094 -0.429 0.000 1.343 1088 V CA 0.178 62.232 62.300 -0.410 0.000 1.292 1088 V CB 0.465 31.794 31.823 -0.824 0.000 1.287 1088 V HN 0.447 nan 8.190 nan 0.000 0.554 1089 V N 2.283 121.864 119.914 -0.554 0.000 2.490 1089 V HA -0.276 3.843 4.120 -0.001 0.000 0.250 1089 V C 2.513 178.315 176.094 -0.487 0.000 1.061 1089 V CA 2.502 64.225 62.300 -0.962 0.000 1.064 1089 V CB -0.982 30.393 31.823 -0.747 0.000 0.670 1089 V HN 0.839 nan 8.190 nan 0.000 0.461 1090 Q N -0.081 119.573 119.800 -0.244 0.000 2.488 1090 Q HA -0.122 4.217 4.340 -0.001 0.000 0.211 1090 Q C 1.327 177.283 176.000 -0.073 0.000 0.967 1090 Q CA 1.224 56.955 55.803 -0.119 0.000 0.926 1090 Q CB -0.384 28.323 28.738 -0.051 0.000 0.992 1090 Q HN 0.554 nan 8.270 nan 0.000 0.506 1091 N N 0.849 119.497 118.700 -0.087 0.000 2.412 1091 N HA 0.130 4.869 4.740 -0.001 0.000 0.184 1091 N C 0.535 176.068 175.510 0.039 0.000 1.101 1091 N CA 1.081 54.119 53.050 -0.019 0.000 0.881 1091 N CB 0.794 39.269 38.487 -0.020 0.000 0.969 1091 N HN 0.465 nan 8.380 nan 0.000 0.459 1092 G N 0.898 109.739 108.800 0.068 0.000 2.796 1092 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.571 1092 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.571 1092 G C -0.428 174.660 174.900 0.313 0.000 1.370 1092 G CA -0.442 44.773 45.100 0.192 0.000 0.856 1092 G HN 0.343 nan 8.290 nan 0.000 0.538 1093 L N 0.267 121.625 121.223 0.224 0.000 2.559 1093 L HA 0.438 4.777 4.340 -0.001 0.000 0.274 1093 L C 1.512 178.414 176.870 0.054 0.000 1.205 1093 L CA 0.144 55.028 54.840 0.073 0.000 0.907 1093 L CB 0.285 42.369 42.059 0.041 0.000 1.153 1093 L HN 0.764 nan 8.230 nan 0.000 0.490 1094 R N 3.497 124.003 120.500 0.010 0.000 2.276 1094 R HA 0.308 4.647 4.340 -0.001 0.000 0.195 1094 R C 0.498 176.790 176.300 -0.013 0.000 0.908 1094 R CA 0.208 56.316 56.100 0.014 0.000 1.083 1094 R CB 0.270 30.590 30.300 0.032 0.000 1.182 1094 R HN 0.759 nan 8.270 nan 0.000 0.608 1095 A N 2.550 125.342 122.820 -0.047 0.000 2.531 1095 A HA 0.094 4.413 4.320 -0.001 0.000 0.236 1095 A C -0.119 177.448 177.584 -0.029 0.000 1.062 1095 A CA 0.015 52.025 52.037 -0.045 0.000 0.760 1095 A CB 0.244 19.198 19.000 -0.076 0.000 0.995 1095 A HN 0.109 nan 8.150 nan 0.000 0.501 1096 R N 2.299 122.788 120.500 -0.019 0.000 2.291 1096 R HA 0.290 4.629 4.340 -0.001 0.000 0.333 1096 R C -0.569 175.725 176.300 -0.010 0.000 1.082 1096 R CA 0.304 56.397 56.100 -0.012 0.000 0.948 1096 R CB -0.637 29.657 30.300 -0.011 0.000 1.009 1096 R HN 0.627 nan 8.270 nan 0.000 0.460 1097 L N 1.434 122.656 121.223 -0.002 0.000 2.331 1097 L HA 0.512 4.851 4.340 -0.001 0.000 0.268 1097 L C 0.221 177.107 176.870 0.026 0.000 1.015 1097 L CA -0.859 53.990 54.840 0.015 0.000 0.807 1097 L CB 1.486 43.559 42.059 0.024 0.000 1.293 1097 L HN 0.399 nan 8.230 nan 0.000 0.451 1098 Q N 1.529 121.362 119.800 0.055 0.000 2.281 1098 Q HA 0.323 4.662 4.340 -0.001 0.000 0.263 1098 Q C -1.899 174.184 176.000 0.138 0.000 0.989 1098 Q CA -0.788 55.055 55.803 0.067 0.000 0.852 1098 Q CB 2.723 31.489 28.738 0.047 0.000 1.337 1098 Q HN 0.453 nan 8.270 nan 0.000 0.418 1099 L N 5.411 126.679 121.223 0.075 0.000 2.331 1099 L HA 0.470 4.809 4.340 -0.001 0.000 0.278 1099 L C -1.350 175.654 176.870 0.223 0.000 1.106 1099 L CA 0.249 55.113 54.840 0.039 0.000 0.824 1099 L CB 0.345 42.242 42.059 -0.270 0.000 1.142 1099 L HN 0.601 nan 8.230 nan 0.000 0.443 1100 Y N 2.589 122.996 120.300 0.179 0.000 2.597 1100 Y HA 0.707 5.256 4.550 -0.002 0.000 0.340 1100 Y C -0.840 175.247 175.900 0.312 0.000 1.097 1100 Y CA -1.553 56.697 58.100 0.249 0.000 1.037 1100 Y CB 0.895 39.422 38.460 0.113 0.000 1.305 1100 Y HN 0.603 nan 8.280 nan 0.000 0.463 1101 R N 2.168 122.705 120.500 0.062 0.000 2.265 1101 R HA 0.438 4.777 4.340 -0.001 0.000 0.314 1101 R C -0.344 175.786 176.300 -0.283 0.000 1.053 1101 R CA 0.188 56.031 56.100 -0.429 0.000 0.931 1101 R CB 0.685 30.646 30.300 -0.566 0.000 1.024 1101 R HN 0.946 nan 8.270 nan 0.000 0.457 1102 T N 0.966 115.281 114.554 -0.398 0.000 2.902 1102 T HA 0.326 4.676 4.350 -0.001 0.000 0.280 1102 T C 0.983 175.601 174.700 -0.137 0.000 0.992 1102 T CA -0.787 61.198 62.100 -0.192 0.000 1.015 1102 T CB 1.295 70.045 68.868 -0.196 0.000 1.044 1102 T HN 0.501 nan 8.240 nan 0.000 0.520 1103 R N 1.050 121.520 120.500 -0.049 0.000 2.092 1103 R HA -0.026 4.313 4.340 -0.001 0.000 0.231 1103 R C 1.333 177.592 176.300 -0.068 0.000 1.119 1103 R CA 1.793 57.863 56.100 -0.050 0.000 0.970 1103 R CB -0.381 29.913 30.300 -0.012 0.000 0.864 1103 R HN 0.913 nan 8.270 nan 0.000 0.440 1104 D N -2.285 118.079 120.400 -0.061 0.000 2.489 1104 D HA 0.027 4.666 4.640 -0.001 0.000 0.231 1104 D C 1.362 177.620 176.300 -0.069 0.000 1.114 1104 D CA 0.123 54.091 54.000 -0.052 0.000 0.842 1104 D CB 0.104 40.891 40.800 -0.021 0.000 1.133 1104 D HN 0.099 nan 8.370 nan 0.000 0.506 1105 M N 0.150 119.696 119.600 -0.091 0.000 2.300 1105 M HA 0.401 4.880 4.480 -0.001 0.000 0.313 1105 M C 0.851 177.077 176.300 -0.124 0.000 0.988 1105 M CA 0.296 55.540 55.300 -0.093 0.000 1.012 1105 M CB 2.084 34.653 32.600 -0.051 0.000 1.586 1105 M HN 0.211 nan 8.290 nan 0.000 0.562 1106 G N 0.992 109.674 108.800 -0.195 0.000 2.603 1106 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.245 1106 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.245 1106 G C -1.140 173.520 174.900 -0.400 0.000 1.195 1106 G CA -0.622 44.299 45.100 -0.299 0.000 0.953 1106 G HN 0.421 nan 8.290 nan 0.000 0.566 1107 W N 1.596 122.845 121.300 -0.086 0.000 2.251 1107 W HA 0.577 5.236 4.660 -0.001 0.000 0.329 1107 W C 0.789 177.202 176.519 -0.178 0.000 1.234 1107 W CA 0.522 57.766 57.345 -0.168 0.000 1.228 1107 W CB 1.471 30.858 29.460 -0.121 0.000 1.135 1107 W HN 0.967 nan 8.180 nan 0.000 0.576 1108 G N 0.179 108.894 108.800 -0.142 0.000 2.725 1108 G HA2 0.679 4.638 3.960 -0.001 0.000 0.288 1108 G HA3 0.679 4.638 3.960 -0.001 0.000 0.288 1108 G C -1.991 172.910 174.900 0.001 0.000 1.399 1108 G CA -0.870 44.151 45.100 -0.131 0.000 0.859 1108 G HN 0.286 nan 8.290 nan 0.000 0.479 1109 V N 0.276 120.314 119.914 0.208 0.000 2.555 1109 V HA 0.717 4.836 4.120 -0.001 0.000 0.302 1109 V C 0.064 176.372 176.094 0.356 0.000 1.038 1109 V CA -0.812 61.659 62.300 0.286 0.000 0.887 1109 V CB 1.459 33.398 31.823 0.193 0.000 0.991 1109 V HN 1.045 nan 8.190 nan 0.000 0.434 1110 R N 2.029 122.710 120.500 0.301 0.000 2.854 1110 R HA 0.804 5.143 4.340 -0.001 0.000 0.271 1110 R C -0.491 175.831 176.300 0.037 0.000 0.994 1110 R CA -0.511 55.656 56.100 0.111 0.000 0.945 1110 R CB 1.831 32.060 30.300 -0.119 0.000 1.194 1110 R HN 0.539 nan 8.270 nan 0.000 0.476 1111 S N 0.827 116.528 115.700 0.000 0.000 2.562 1111 S HA 0.293 4.762 4.470 -0.001 0.000 0.275 1111 S C 0.576 175.157 174.600 -0.032 0.000 1.281 1111 S CA -0.895 57.296 58.200 -0.013 0.000 1.045 1111 S CB 0.563 63.754 63.200 -0.015 0.000 0.962 1111 S HN 0.635 nan 8.310 nan 0.000 0.503 1112 L N 3.450 124.657 121.223 -0.026 0.000 2.607 1112 L HA 0.274 4.613 4.340 -0.001 0.000 0.228 1112 L C 0.623 177.478 176.870 -0.024 0.000 1.123 1112 L CA -0.119 54.703 54.840 -0.031 0.000 0.890 1112 L CB -0.235 41.809 42.059 -0.024 0.000 1.103 1112 L HN 0.703 nan 8.230 nan 0.000 0.468 1113 Q N -2.164 117.624 119.800 -0.020 0.000 2.456 1113 Q HA 0.370 4.709 4.340 -0.001 0.000 0.284 1113 Q C -1.421 174.572 176.000 -0.011 0.000 1.061 1113 Q CA -1.066 54.728 55.803 -0.014 0.000 0.799 1113 Q CB 1.562 30.294 28.738 -0.011 0.000 1.445 1113 Q HN -0.175 nan 8.270 nan 0.000 0.411 1114 D N 1.395 121.791 120.400 -0.006 0.000 2.458 1114 D HA 0.213 4.852 4.640 -0.001 0.000 0.243 1114 D C -0.605 175.697 176.300 0.003 0.000 1.146 1114 D CA 0.567 54.566 54.000 -0.001 0.000 0.877 1114 D CB 0.529 41.331 40.800 0.004 0.000 1.176 1114 D HN 0.407 nan 8.370 nan 0.000 0.461 1115 I N 4.649 125.222 120.570 0.006 0.000 2.382 1115 I HA 0.215 4.384 4.170 -0.001 0.000 0.285 1115 I C -2.213 173.920 176.117 0.027 0.000 1.007 1115 I CA -2.179 59.129 61.300 0.012 0.000 1.142 1115 I CB 1.869 39.871 38.000 0.003 0.000 1.289 1115 I HN 0.014 nan 8.210 nan 0.000 0.453 1116 P HA 0.132 nan 4.420 nan 0.000 0.270 1116 P C -2.499 174.840 177.300 0.066 0.000 1.223 1116 P CA -1.122 62.007 63.100 0.048 0.000 0.785 1116 P CB -0.248 31.483 31.700 0.052 0.000 0.923 1117 P HA 0.028 nan 4.420 nan 0.000 0.266 1117 P C 0.830 178.194 177.300 0.107 0.000 1.195 1117 P CA 1.312 64.462 63.100 0.083 0.000 0.768 1117 P CB -0.033 31.711 31.700 0.073 0.000 0.838 1118 G N 1.319 110.197 108.800 0.129 0.000 2.160 1118 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.251 1118 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.251 1118 G C 0.134 175.216 174.900 0.303 0.000 1.008 1118 G CA 0.070 45.263 45.100 0.154 0.000 0.724 1118 G HN 0.586 nan 8.290 nan 0.000 0.514 1119 T N 0.647 115.360 114.554 0.265 0.000 2.845 1119 T HA 0.465 4.814 4.350 -0.001 0.000 0.288 1119 T C 0.072 174.885 174.700 0.188 0.000 0.980 1119 T CA -0.336 61.903 62.100 0.232 0.000 1.071 1119 T CB 1.313 70.241 68.868 0.100 0.000 0.941 1119 T HN 0.523 nan 8.240 nan 0.000 0.487 1120 F N 4.366 124.246 119.950 -0.116 0.000 2.541 1120 F HA 0.277 4.803 4.527 -0.001 0.000 0.378 1120 F C 0.681 176.307 175.800 -0.289 0.000 1.068 1120 F CA -0.258 57.364 58.000 -0.630 0.000 1.199 1120 F CB 0.189 38.808 39.000 -0.637 0.000 1.091 1120 F HN 0.322 nan 8.300 nan 0.000 0.555 1121 V N 4.781 124.114 119.914 -0.969 0.000 2.599 1121 V HA 0.080 4.199 4.120 -0.001 0.000 0.237 1121 V C 0.533 176.081 176.094 -0.910 0.000 1.081 1121 V CA 1.138 63.031 62.300 -0.679 0.000 1.107 1121 V CB 0.161 31.814 31.823 -0.283 0.000 0.808 1121 V HN 0.992 nan 8.190 nan 0.000 0.486 1122 C N -1.304 117.479 119.300 -0.862 0.000 3.321 1122 C HA 0.703 5.162 4.460 -0.001 0.000 0.329 1122 C C -0.687 174.288 174.990 -0.025 0.000 1.394 1122 C CA -1.092 57.646 59.018 -0.467 0.000 1.291 1122 C CB 1.359 29.028 27.740 -0.118 0.000 1.606 1122 C HN 0.520 nan 8.230 nan 0.000 0.463 1123 E N -0.145 120.152 120.200 0.161 0.000 2.214 1123 E HA 0.410 4.759 4.350 -0.001 0.000 0.274 1123 E C -1.661 175.003 176.600 0.107 0.000 0.977 1123 E CA -0.487 56.000 56.400 0.145 0.000 0.827 1123 E CB 1.143 30.919 29.700 0.127 0.000 1.130 1123 E HN 0.700 nan 8.360 nan 0.000 0.394 1124 Y N 4.199 124.413 120.300 -0.143 0.000 2.585 1124 Y HA 0.239 4.788 4.550 -0.001 0.000 0.354 1124 Y C -0.965 174.853 175.900 -0.136 0.000 1.024 1124 Y CA -0.067 57.970 58.100 -0.106 0.000 1.321 1124 Y CB 0.312 38.554 38.460 -0.364 0.000 1.151 1124 Y HN 0.201 nan 8.280 nan 0.000 0.525 1125 V N 5.548 125.236 119.914 -0.377 0.000 2.581 1125 V HA 0.902 5.021 4.120 -0.001 0.000 0.303 1125 V C 0.331 176.236 176.094 -0.315 0.000 1.041 1125 V CA 0.197 62.342 62.300 -0.258 0.000 0.907 1125 V CB 1.288 32.988 31.823 -0.205 0.000 0.994 1125 V HN 0.939 nan 8.190 nan 0.000 0.442 1126 G N 3.005 111.721 108.800 -0.141 0.000 2.364 1126 G HA2 0.303 4.262 3.960 -0.001 0.000 0.286 1126 G HA3 0.303 4.262 3.960 -0.001 0.000 0.286 1126 G C -1.301 173.617 174.900 0.030 0.000 1.241 1126 G CA -0.544 44.522 45.100 -0.057 0.000 0.887 1126 G HN 0.600 nan 8.290 nan 0.000 0.484 1127 E N 0.084 120.356 120.200 0.120 0.000 2.194 1127 E HA 0.416 4.765 4.350 -0.001 0.000 0.284 1127 E C -0.816 175.864 176.600 0.132 0.000 1.035 1127 E CA -0.643 55.830 56.400 0.121 0.000 0.836 1127 E CB 1.128 30.981 29.700 0.255 0.000 1.070 1127 E HN 0.371 nan 8.360 nan 0.000 0.401 1128 L N 7.605 128.880 121.223 0.087 0.000 2.313 1128 L HA 0.348 4.687 4.340 -0.001 0.000 0.282 1128 L C -0.578 176.405 176.870 0.187 0.000 1.092 1128 L CA 0.144 55.070 54.840 0.143 0.000 0.831 1128 L CB 0.301 42.395 42.059 0.058 0.000 1.159 1128 L HN 0.490 nan 8.230 nan 0.000 0.442 1129 I N 1.256 121.989 120.570 0.273 0.000 3.074 1129 I HA 0.706 4.875 4.170 -0.001 0.000 0.310 1129 I C -0.106 176.230 176.117 0.365 0.000 1.153 1129 I CA -0.797 60.669 61.300 0.276 0.000 0.993 1129 I CB 2.111 40.236 38.000 0.207 0.000 1.237 1129 I HN 0.611 nan 8.210 nan 0.000 0.443 1130 S N 0.765 116.630 115.700 0.275 0.000 2.600 1130 S HA 0.091 4.560 4.470 -0.001 0.000 0.265 1130 S C 0.602 175.204 174.600 0.004 0.000 1.325 1130 S CA 0.247 58.497 58.200 0.083 0.000 1.002 1130 S CB 1.363 64.579 63.200 0.028 0.000 0.921 1130 S HN 0.863 nan 8.310 nan 0.000 0.554 1131 D N 1.340 121.661 120.400 -0.131 0.000 2.123 1131 D HA -0.173 4.466 4.640 -0.001 0.000 0.196 1131 D C 2.167 178.450 176.300 -0.028 0.000 0.992 1131 D CA 2.117 56.075 54.000 -0.070 0.000 0.833 1131 D CB -0.406 40.322 40.800 -0.119 0.000 0.954 1131 D HN 0.666 nan 8.370 nan 0.000 0.455 1132 S N -0.549 115.129 115.700 -0.036 0.000 2.383 1132 S HA -0.192 4.277 4.470 -0.001 0.000 0.227 1132 S C 1.996 176.609 174.600 0.022 0.000 1.026 1132 S CA 1.244 59.439 58.200 -0.008 0.000 0.981 1132 S CB -0.453 62.741 63.200 -0.011 0.000 0.818 1132 S HN 0.236 nan 8.310 nan 0.000 0.472 1133 E N 2.510 122.734 120.200 0.041 0.000 2.072 1133 E HA 0.049 4.398 4.350 -0.001 0.000 0.191 1133 E C 2.039 178.687 176.600 0.080 0.000 0.985 1133 E CA 1.378 57.819 56.400 0.068 0.000 0.801 1133 E CB -0.922 28.834 29.700 0.093 0.000 0.750 1133 E HN 0.582 nan 8.360 nan 0.000 0.452 1134 A N 0.738 123.606 122.820 0.079 0.000 1.978 1134 A HA -0.203 4.117 4.320 -0.001 0.000 0.220 1134 A C 1.925 179.544 177.584 0.059 0.000 1.170 1134 A CA 1.887 53.975 52.037 0.084 0.000 0.636 1134 A CB -0.651 18.396 19.000 0.080 0.000 0.810 1134 A HN 0.269 nan 8.150 nan 0.000 0.448 1135 D N -0.548 119.875 120.400 0.037 0.000 2.224 1135 D HA -0.081 4.558 4.640 -0.001 0.000 0.205 1135 D C 2.004 178.321 176.300 0.028 0.000 0.965 1135 D CA 1.695 55.708 54.000 0.022 0.000 0.852 1135 D CB 0.015 40.820 40.800 0.009 0.000 0.947 1135 D HN 0.468 nan 8.370 nan 0.000 0.494 1136 V N -1.823 118.116 119.914 0.041 0.000 3.608 1136 V HA 0.198 4.317 4.120 -0.001 0.000 0.269 1136 V C 0.840 176.973 176.094 0.064 0.000 1.245 1136 V CA -0.232 62.095 62.300 0.044 0.000 1.138 1136 V CB -0.137 31.711 31.823 0.041 0.000 0.841 1136 V HN -0.115 nan 8.190 nan 0.000 0.451 1137 R N 1.996 122.547 120.500 0.084 0.000 2.502 1137 R HA 0.053 4.392 4.340 -0.001 0.000 0.292 1137 R C 1.449 177.806 176.300 0.095 0.000 0.998 1137 R CA 0.637 56.809 56.100 0.121 0.000 1.056 1137 R CB 0.646 31.034 30.300 0.146 0.000 0.939 1137 R HN 0.670 nan 8.270 nan 0.000 0.411 1138 E N 2.068 122.337 120.200 0.114 0.000 2.038 1138 E HA -0.225 4.125 4.350 -0.001 0.000 0.195 1138 E C -0.187 176.449 176.600 0.060 0.000 1.000 1138 E CA 1.366 57.817 56.400 0.084 0.000 0.803 1138 E CB 0.254 30.017 29.700 0.105 0.000 0.750 1138 E HN 0.467 nan 8.360 nan 0.000 0.448 1139 E N 0.829 121.067 120.200 0.063 0.000 2.134 1139 E HA 0.011 4.360 4.350 -0.001 0.000 0.278 1139 E C -0.620 176.005 176.600 0.042 0.000 0.959 1139 E CA -0.140 56.281 56.400 0.036 0.000 0.783 1139 E CB 1.252 30.966 29.700 0.023 0.000 1.095 1139 E HN 0.185 nan 8.360 nan 0.000 0.399 1140 D N 2.135 122.540 120.400 0.007 0.000 2.398 1140 D HA 0.039 4.678 4.640 -0.001 0.000 0.210 1140 D C 0.383 176.669 176.300 -0.023 0.000 1.094 1140 D CA -0.017 53.983 54.000 -0.000 0.000 0.839 1140 D CB 0.118 40.895 40.800 -0.039 0.000 0.963 1140 D HN 0.257 nan 8.370 nan 0.000 0.506 1141 S N -0.397 115.253 115.700 -0.082 0.000 2.515 1141 S HA -0.037 4.432 4.470 -0.001 0.000 0.231 1141 S C 0.374 174.760 174.600 -0.358 0.000 0.987 1141 S CA 0.338 58.420 58.200 -0.196 0.000 0.936 1141 S CB -0.308 62.659 63.200 -0.388 0.000 0.766 1141 S HN 0.375 nan 8.310 nan 0.000 0.528 1142 Y N 0.552 120.872 120.300 0.032 0.000 2.531 1142 Y HA 0.436 4.985 4.550 -0.001 0.000 0.249 1142 Y C 0.207 176.211 175.900 0.174 0.000 1.168 1142 Y CA -0.609 57.533 58.100 0.070 0.000 1.226 1142 Y CB -0.060 38.380 38.460 -0.034 0.000 1.177 1142 Y HN 0.063 nan 8.280 nan 0.000 0.527 1143 L N 0.569 121.917 121.223 0.207 0.000 2.380 1143 L HA 0.196 4.535 4.340 -0.001 0.000 0.273 1143 L C -0.836 176.120 176.870 0.144 0.000 1.138 1143 L CA 0.059 55.018 54.840 0.198 0.000 0.832 1143 L CB 0.656 42.787 42.059 0.120 0.000 1.124 1143 L HN 0.100 nan 8.230 nan 0.000 0.454 1144 F N 1.952 121.927 119.950 0.043 0.000 2.499 1144 F HA 0.305 4.832 4.527 -0.001 0.000 0.333 1144 F C -0.154 175.651 175.800 0.007 0.000 1.138 1144 F CA -0.998 56.951 58.000 -0.085 0.000 0.945 1144 F CB 1.249 40.040 39.000 -0.348 0.000 1.181 1144 F HN 0.415 nan 8.300 nan 0.000 0.435 1145 D N 5.937 126.414 120.400 0.128 0.000 2.390 1145 D HA 0.264 4.903 4.640 -0.001 0.000 0.249 1145 D C 0.127 176.606 176.300 0.298 0.000 1.144 1145 D CA 0.432 54.532 54.000 0.166 0.000 0.880 1145 D CB 1.223 42.047 40.800 0.040 0.000 1.182 1145 D HN 0.420 nan 8.370 nan 0.000 0.451 1154 Y N 1.873 122.151 120.300 -0.037 0.000 2.630 1154 Y HA 0.855 5.404 4.550 -0.001 0.000 0.337 1154 Y C 0.221 176.178 175.900 0.095 0.000 1.051 1154 Y CA -0.597 57.523 58.100 0.033 0.000 1.121 1154 Y CB 1.952 40.419 38.460 0.011 0.000 1.299 1154 Y HN 0.767 nan 8.280 nan 0.000 0.498 1155 C N 1.750 121.247 119.300 0.329 0.000 2.888 1155 C HA 0.682 5.142 4.460 -0.001 0.000 0.308 1155 C C -1.030 174.133 174.990 0.289 0.000 1.213 1155 C CA -0.812 58.366 59.018 0.267 0.000 1.461 1155 C CB 0.216 28.075 27.740 0.200 0.000 1.934 1155 C HN 0.702 nan 8.230 nan 0.000 0.474 1156 I N 3.976 124.727 120.570 0.302 0.000 2.321 1156 I HA 0.289 4.458 4.170 -0.001 0.000 0.291 1156 I C -0.604 175.720 176.117 0.343 0.000 0.998 1156 I CA 0.248 61.728 61.300 0.300 0.000 1.227 1156 I CB 1.075 39.268 38.000 0.321 0.000 1.368 1156 I HN 0.574 nan 8.210 nan 0.000 0.466 1157 D N 5.624 126.186 120.400 0.270 0.000 2.392 1157 D HA 0.411 5.050 4.640 -0.001 0.000 0.228 1157 D C 0.371 176.775 176.300 0.174 0.000 1.074 1157 D CA -0.342 53.809 54.000 0.253 0.000 0.838 1157 D CB 1.914 42.858 40.800 0.239 0.000 1.067 1157 D HN 0.605 nan 8.370 nan 0.000 0.511 1158 A N 4.192 127.092 122.820 0.134 0.000 2.379 1158 A HA 0.063 4.382 4.320 -0.001 0.000 0.236 1158 A C 1.862 179.206 177.584 -0.399 0.000 1.272 1158 A CA -0.034 51.925 52.037 -0.130 0.000 0.886 1158 A CB -0.064 18.759 19.000 -0.296 0.000 0.962 1158 A HN 0.449 nan 8.150 nan 0.000 0.504 1159 R N 0.021 120.307 120.500 -0.357 0.000 2.070 1159 R HA -0.067 4.272 4.340 -0.001 0.000 0.233 1159 R C 0.991 176.839 176.300 -0.754 0.000 1.137 1159 R CA 2.327 57.968 56.100 -0.765 0.000 0.945 1159 R CB -0.739 29.155 30.300 -0.676 0.000 0.845 1159 R HN 0.425 nan 8.270 nan 0.000 0.430 1160 F N -1.984 117.821 119.950 -0.241 0.000 2.446 1160 F HA 0.264 4.790 4.527 -0.001 0.000 0.292 1160 F C 0.066 175.461 175.800 -0.675 0.000 1.096 1160 F CA 0.104 57.840 58.000 -0.440 0.000 1.438 1160 F CB 0.101 38.800 39.000 -0.503 0.000 1.107 1160 F HN -0.128 nan 8.300 nan 0.000 0.546 1161 Y N -0.335 120.019 120.300 0.090 0.000 2.373 1161 Y HA 0.667 5.216 4.550 -0.001 0.000 0.336 1161 Y C 0.328 176.166 175.900 -0.104 0.000 0.979 1161 Y CA -1.407 56.698 58.100 0.008 0.000 1.080 1161 Y CB 1.691 40.148 38.460 -0.005 0.000 1.190 1161 Y HN -0.023 nan 8.280 nan 0.000 0.446 1162 G N 1.929 110.716 108.800 -0.021 0.000 2.550 1162 G HA2 0.402 4.361 3.960 -0.001 0.000 0.293 1162 G HA3 0.402 4.361 3.960 -0.001 0.000 0.293 1162 G C -1.662 172.949 174.900 -0.482 0.000 1.402 1162 G CA -1.037 43.895 45.100 -0.279 0.000 0.784 1162 G HN 0.592 nan 8.290 nan 0.000 0.482 1163 N N -1.808 116.528 118.700 -0.607 0.000 3.061 1163 N HA 0.384 5.123 4.740 -0.001 0.000 0.346 1163 N C 1.292 176.618 175.510 -0.307 0.000 1.392 1163 N CA 0.036 52.569 53.050 -0.861 0.000 0.762 1163 N CB 0.915 39.068 38.487 -0.556 0.000 1.367 1163 N HN 0.748 nan 8.380 nan 0.000 0.607 1164 V N 0.518 120.481 119.914 0.082 0.000 2.568 1164 V HA -0.196 3.923 4.120 -0.001 0.000 0.253 1164 V C 1.759 177.958 176.094 0.174 0.000 1.072 1164 V CA 2.455 64.937 62.300 0.302 0.000 1.084 1164 V CB -1.124 30.877 31.823 0.297 0.000 0.676 1164 V HN 0.682 nan 8.190 nan 0.000 0.469 1165 S N 0.771 116.485 115.700 0.022 0.000 2.442 1165 S HA -0.196 4.273 4.470 -0.001 0.000 0.236 1165 S C 1.808 176.450 174.600 0.070 0.000 1.007 1165 S CA 1.477 59.711 58.200 0.055 0.000 0.965 1165 S CB -0.480 62.815 63.200 0.159 0.000 0.773 1165 S HN 0.877 nan 8.310 nan 0.000 0.504 1166 R N 0.298 120.677 120.500 -0.201 0.000 2.285 1166 R HA 0.017 4.357 4.340 -0.001 0.000 0.213 1166 R C 0.595 176.763 176.300 -0.221 0.000 1.068 1166 R CA 1.123 57.072 56.100 -0.252 0.000 1.004 1166 R CB -0.504 29.373 30.300 -0.705 0.000 0.873 1166 R HN 0.369 nan 8.270 nan 0.000 0.467 1167 F N 0.985 120.988 119.950 0.089 0.000 2.678 1167 F HA 0.397 4.923 4.527 -0.002 0.000 0.305 1167 F C 0.514 176.401 175.800 0.144 0.000 1.090 1167 F CA -0.799 57.266 58.000 0.108 0.000 1.272 1167 F CB 0.401 39.424 39.000 0.040 0.000 1.060 1167 F HN -0.151 nan 8.300 nan 0.000 0.576 1168 I N 1.181 121.936 120.570 0.309 0.000 2.452 1168 I HA 0.041 4.211 4.170 -0.001 0.000 0.287 1168 I C 0.075 176.382 176.117 0.318 0.000 1.079 1168 I CA 0.034 61.500 61.300 0.277 0.000 1.387 1168 I CB 0.206 38.336 38.000 0.217 0.000 1.404 1168 I HN 0.083 nan 8.210 nan 0.000 0.522 1169 N N 4.206 123.026 118.700 0.201 0.000 2.424 1169 N HA 0.081 4.820 4.740 -0.001 0.000 0.257 1169 N C 0.007 175.430 175.510 -0.145 0.000 1.250 1169 N CA -0.562 52.542 53.050 0.089 0.000 0.946 1169 N CB 0.458 38.977 38.487 0.053 0.000 1.175 1169 N HN 0.544 nan 8.380 nan 0.000 0.477 1170 H N 1.107 119.737 119.070 -0.733 0.000 2.732 1170 H HA 0.105 4.660 4.556 -0.002 0.000 0.351 1170 H C -1.117 174.059 175.328 -0.253 0.000 1.090 1170 H CA 0.474 55.972 56.048 -0.915 0.000 1.431 1170 H CB 0.441 29.474 29.762 -1.216 0.000 1.447 1170 H HN 0.614 nan 8.280 nan 0.000 0.582 1171 H N 2.737 121.303 119.070 -0.841 0.000 2.771 1171 H HA 0.232 4.787 4.556 -0.001 0.000 0.361 1171 H C 0.206 175.185 175.328 -0.582 0.000 1.108 1171 H CA -0.761 55.006 56.048 -0.468 0.000 1.201 1171 H CB 1.099 30.743 29.762 -0.196 0.000 1.681 1171 H HN 0.644 nan 8.280 nan 0.000 0.534 1172 C N 2.190 121.380 119.300 -0.184 0.000 2.468 1172 C HA 0.031 4.490 4.460 -0.001 0.000 0.277 1172 C C 0.676 175.733 174.990 0.112 0.000 1.400 1172 C CA 0.516 59.538 59.018 0.006 0.000 1.770 1172 C CB -0.524 27.219 27.740 0.005 0.000 1.905 1172 C HN 0.729 nan 8.230 nan 0.000 0.519 1173 E N 1.161 121.557 120.200 0.327 0.000 3.167 1173 E HA 0.189 4.538 4.350 -0.001 0.000 0.212 1173 E C -2.482 174.143 176.600 0.042 0.000 1.143 1173 E CA -1.268 55.240 56.400 0.181 0.000 1.002 1173 E CB 0.701 30.492 29.700 0.152 0.000 1.315 1173 E HN 0.454 nan 8.360 nan 0.000 0.422 1174 P HA 0.040 nan 4.420 nan 0.000 0.275 1174 P C -0.093 177.198 177.300 -0.015 0.000 1.228 1174 P CA -0.274 62.818 63.100 -0.015 0.000 0.786 1174 P CB 0.853 32.609 31.700 0.094 0.000 0.927 1175 N N 1.622 120.295 118.700 -0.046 0.000 2.336 1175 N HA 0.062 4.801 4.740 -0.001 0.000 0.189 1175 N C -0.003 175.555 175.510 0.080 0.000 1.113 1175 N CA 0.380 53.431 53.050 0.002 0.000 0.858 1175 N CB -0.207 38.258 38.487 -0.038 0.000 0.970 1175 N HN 0.324 nan 8.380 nan 0.000 0.471 1176 L N -0.135 121.173 121.223 0.142 0.000 2.370 1176 L HA 0.615 4.954 4.340 -0.001 0.000 0.266 1176 L C -1.062 176.013 176.870 0.341 0.000 1.002 1176 L CA -1.314 53.664 54.840 0.230 0.000 0.818 1176 L CB 2.652 44.819 42.059 0.180 0.000 1.325 1176 L HN -0.165 nan 8.230 nan 0.000 0.418 1177 V N 4.037 124.178 119.914 0.380 0.000 2.588 1177 V HA 0.633 4.752 4.120 -0.001 0.000 0.304 1177 V C -2.382 173.940 176.094 0.379 0.000 1.042 1177 V CA -1.980 60.549 62.300 0.382 0.000 0.877 1177 V CB 2.771 34.772 31.823 0.297 0.000 0.996 1177 V HN 0.533 nan 8.190 nan 0.000 0.425 1178 P HA 0.363 nan 4.420 nan 0.000 0.285 1178 P C -1.172 176.168 177.300 0.065 0.000 1.259 1178 P CA -0.086 62.986 63.100 -0.047 0.000 0.794 1178 P CB 1.603 33.237 31.700 -0.110 0.000 0.940 1179 V N 4.599 124.535 119.914 0.036 0.000 2.656 1179 V HA 0.399 4.518 4.120 -0.001 0.000 0.307 1179 V C 0.592 176.675 176.094 -0.019 0.000 1.051 1179 V CA -0.916 61.442 62.300 0.097 0.000 0.893 1179 V CB 2.104 34.051 31.823 0.207 0.000 0.999 1179 V HN 0.435 nan 8.190 nan 0.000 0.426 1180 R N 2.292 122.771 120.500 -0.035 0.000 2.298 1180 R HA 0.667 5.006 4.340 -0.001 0.000 0.310 1180 R C -1.065 175.104 176.300 -0.218 0.000 1.068 1180 R CA -0.234 55.775 56.100 -0.152 0.000 0.957 1180 R CB 1.348 31.602 30.300 -0.076 0.000 1.003 1180 R HN 0.530 nan 8.270 nan 0.000 0.454 1181 V N 4.236 123.896 119.914 -0.423 0.000 2.876 1181 V HA 0.498 4.617 4.120 -0.001 0.000 0.312 1181 V C -0.856 174.753 176.094 -0.810 0.000 1.085 1181 V CA -0.855 61.208 62.300 -0.395 0.000 0.945 1181 V CB 1.883 33.602 31.823 -0.173 0.000 1.017 1181 V HN 0.515 nan 8.190 nan 0.000 0.428 1182 F N 3.019 122.759 119.950 -0.350 0.000 2.520 1182 F HA 0.718 5.244 4.527 -0.002 0.000 0.322 1182 F C 0.527 176.216 175.800 -0.184 0.000 1.103 1182 F CA -0.381 57.408 58.000 -0.351 0.000 0.926 1182 F CB 2.064 40.750 39.000 -0.523 0.000 1.154 1182 F HN 0.408 nan 8.300 nan 0.000 0.453 1183 M N 1.149 120.726 119.600 -0.038 0.000 2.875 1183 M HA 0.324 4.803 4.480 -0.001 0.000 0.174 1183 M C 1.759 178.103 176.300 0.073 0.000 2.056 1183 M CA 0.485 55.797 55.300 0.021 0.000 1.413 1183 M CB -0.272 32.307 32.600 -0.035 0.000 1.229 1183 M HN 0.575 nan 8.290 nan 0.000 0.612 1184 A N 0.032 122.883 122.820 0.052 0.000 2.067 1184 A HA 0.014 4.334 4.320 -0.001 0.000 0.217 1184 A C 0.465 178.213 177.584 0.274 0.000 1.156 1184 A CA 1.293 53.454 52.037 0.207 0.000 0.683 1184 A CB -0.974 18.120 19.000 0.157 0.000 0.808 1184 A HN 0.737 nan 8.150 nan 0.000 0.455 1185 H N -4.126 115.075 119.070 0.218 0.000 2.894 1185 H HA 0.724 5.279 4.556 -0.002 0.000 0.368 1185 H C -0.694 174.821 175.328 0.313 0.000 1.181 1185 H CA -0.932 55.251 56.048 0.226 0.000 1.146 1185 H CB 0.813 30.683 29.762 0.180 0.000 1.839 1185 H HN -0.015 nan 8.280 nan 0.000 0.557 1186 Q N 0.269 120.343 119.800 0.458 0.000 2.158 1186 Q HA 0.137 4.476 4.340 -0.001 0.000 0.306 1186 Q C -0.891 175.289 176.000 0.299 0.000 0.878 1186 Q CA -0.397 55.595 55.803 0.314 0.000 1.136 1186 Q CB 0.759 29.630 28.738 0.222 0.000 1.253 1186 Q HN 0.547 nan 8.270 nan 0.000 0.441 1187 D N 1.147 121.928 120.400 0.635 0.000 2.352 1187 D HA 0.056 4.695 4.640 -0.001 0.000 0.245 1187 D C 0.786 177.373 176.300 0.479 0.000 1.224 1187 D CA -0.006 54.245 54.000 0.420 0.000 0.879 1187 D CB 0.889 41.875 40.800 0.310 0.000 1.057 1187 D HN 0.352 nan 8.370 nan 0.000 0.491 1188 L N 3.570 124.926 121.223 0.221 0.000 2.456 1188 L HA -0.058 4.281 4.340 -0.001 0.000 0.224 1188 L C 2.242 179.262 176.870 0.251 0.000 1.148 1188 L CA 0.486 55.456 54.840 0.217 0.000 0.825 1188 L CB -0.125 41.968 42.059 0.056 0.000 0.937 1188 L HN 0.255 nan 8.230 nan 0.000 0.450 1189 R N -0.308 120.242 120.500 0.083 0.000 2.235 1189 R HA -0.043 4.296 4.340 -0.001 0.000 0.213 1189 R C 0.041 176.064 176.300 -0.462 0.000 1.059 1189 R CA 0.852 56.802 56.100 -0.250 0.000 0.997 1189 R CB 0.054 30.015 30.300 -0.565 0.000 0.884 1189 R HN 0.167 nan 8.270 nan 0.000 0.462 1190 F N 1.188 121.280 119.950 0.238 0.000 2.597 1190 F HA 0.310 4.837 4.527 -0.001 0.000 0.336 1190 F C -2.143 173.742 175.800 0.141 0.000 1.432 1190 F CA -3.055 55.043 58.000 0.163 0.000 1.120 1190 F CB 0.775 39.805 39.000 0.050 0.000 1.253 1190 F HN -0.186 nan 8.300 nan 0.000 0.546 1191 P HA 0.168 nan 4.420 nan 0.000 0.272 1191 P C -0.266 176.846 177.300 -0.313 0.000 1.223 1191 P CA -0.200 62.584 63.100 -0.527 0.000 0.784 1191 P CB 1.166 32.649 31.700 -0.362 0.000 0.923 1192 R N 1.276 121.505 120.500 -0.452 0.000 2.540 1192 R HA 0.548 4.887 4.340 -0.001 0.000 0.287 1192 R C -0.126 175.980 176.300 -0.322 0.000 0.980 1192 R CA -0.983 54.945 56.100 -0.287 0.000 0.966 1192 R CB 0.911 31.062 30.300 -0.248 0.000 1.106 1192 R HN 0.419 nan 8.270 nan 0.000 0.480 1193 I N 2.159 122.528 120.570 -0.336 0.000 2.330 1193 I HA 0.323 4.493 4.170 -0.001 0.000 0.289 1193 I C -0.039 175.797 176.117 -0.469 0.000 1.001 1193 I CA -0.499 60.500 61.300 -0.501 0.000 1.193 1193 I CB 1.073 38.535 38.000 -0.897 0.000 1.345 1193 I HN 0.643 nan 8.210 nan 0.000 0.461 1194 A N 7.198 129.811 122.820 -0.345 0.000 2.318 1194 A HA 0.759 5.078 4.320 -0.001 0.000 0.317 1194 A C -0.984 176.486 177.584 -0.190 0.000 1.159 1194 A CA -0.425 51.538 52.037 -0.124 0.000 0.799 1194 A CB 0.467 19.502 19.000 0.059 0.000 1.194 1194 A HN 0.414 nan 8.150 nan 0.000 0.479 1195 F N 1.846 121.792 119.950 -0.007 0.000 2.411 1195 F HA 0.559 5.085 4.527 -0.001 0.000 0.355 1195 F C -0.230 175.491 175.800 -0.132 0.000 1.117 1195 F CA -0.034 57.941 58.000 -0.042 0.000 1.139 1195 F CB 0.788 39.711 39.000 -0.127 0.000 1.120 1195 F HN 0.447 nan 8.300 nan 0.000 0.493 1196 F N 0.760 120.842 119.950 0.219 0.000 2.522 1196 F HA 0.435 4.961 4.527 -0.002 0.000 0.324 1196 F C 0.311 176.178 175.800 0.112 0.000 1.077 1196 F CA -1.078 57.004 58.000 0.137 0.000 0.944 1196 F CB 1.795 40.829 39.000 0.057 0.000 1.175 1196 F HN 0.393 nan 8.300 nan 0.000 0.468 1197 S N -0.751 115.096 115.700 0.246 0.000 2.549 1197 S HA 0.131 4.601 4.470 -0.001 0.000 0.279 1197 S C 0.779 175.477 174.600 0.164 0.000 1.321 1197 S CA -0.037 58.259 58.200 0.160 0.000 1.054 1197 S CB 1.039 64.299 63.200 0.100 0.000 0.899 1197 S HN 0.826 nan 8.310 nan 0.000 0.497 1198 T N -0.603 114.031 114.554 0.133 0.000 3.081 1198 T HA 0.238 4.587 4.350 -0.001 0.000 0.250 1198 T C 0.553 175.305 174.700 0.086 0.000 1.100 1198 T CA -0.188 61.983 62.100 0.119 0.000 1.038 1198 T CB -0.473 68.465 68.868 0.116 0.000 0.962 1198 T HN 0.960 nan 8.240 nan 0.000 0.516 1199 R N -0.898 119.645 120.500 0.072 0.000 2.902 1199 R HA 0.635 4.974 4.340 -0.001 0.000 0.264 1199 R C -1.704 174.624 176.300 0.047 0.000 1.059 1199 R CA -1.204 54.928 56.100 0.053 0.000 0.935 1199 R CB 0.070 30.391 30.300 0.035 0.000 1.325 1199 R HN 0.041 nan 8.270 nan 0.000 0.438 1200 L N 1.807 123.051 121.223 0.036 0.000 2.410 1200 L HA 0.379 4.718 4.340 -0.001 0.000 0.273 1200 L C -0.727 176.153 176.870 0.017 0.000 1.144 1200 L CA 0.117 54.974 54.840 0.028 0.000 0.863 1200 L CB 0.233 42.307 42.059 0.024 0.000 1.140 1200 L HN 0.506 nan 8.230 nan 0.000 0.463 1201 I N 5.496 126.075 120.570 0.014 0.000 2.330 1201 I HA 0.267 4.436 4.170 -0.001 0.000 0.289 1201 I C 0.280 176.396 176.117 -0.001 0.000 1.001 1201 I CA -0.524 60.778 61.300 0.003 0.000 1.193 1201 I CB 0.951 38.953 38.000 0.003 0.000 1.345 1201 I HN 0.613 nan 8.210 nan 0.000 0.461 1202 E N 4.363 124.560 120.200 -0.006 0.000 2.366 1202 E HA 0.383 4.732 4.350 -0.001 0.000 0.266 1202 E C 0.075 176.664 176.600 -0.017 0.000 1.051 1202 E CA -0.653 55.741 56.400 -0.009 0.000 0.884 1202 E CB 1.174 30.868 29.700 -0.009 0.000 1.006 1202 E HN 0.701 nan 8.360 nan 0.000 0.417 1203 A N 1.716 124.525 122.820 -0.018 0.000 2.580 1203 A HA 0.284 4.603 4.320 -0.001 0.000 0.244 1203 A C 1.241 178.800 177.584 -0.042 0.000 1.045 1203 A CA 0.972 52.992 52.037 -0.027 0.000 0.761 1203 A CB -0.685 18.301 19.000 -0.023 0.000 0.962 1203 A HN 0.848 nan 8.150 nan 0.000 0.512 1204 G N 1.361 110.124 108.800 -0.060 0.000 2.213 1204 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.236 1204 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.236 1204 G C 0.229 175.064 174.900 -0.108 0.000 0.991 1204 G CA 0.388 45.428 45.100 -0.099 0.000 0.629 1204 G HN 1.033 nan 8.290 nan 0.000 0.517 1205 E N 0.985 121.150 120.200 -0.058 0.000 2.373 1205 E HA 0.382 4.731 4.350 -0.001 0.000 0.267 1205 E C 0.548 177.145 176.600 -0.005 0.000 1.032 1205 E CA -0.371 56.010 56.400 -0.032 0.000 0.889 1205 E CB 0.330 30.019 29.700 -0.019 0.000 0.984 1205 E HN 0.429 nan 8.360 nan 0.000 0.425 1206 Q N 4.008 123.838 119.800 0.050 0.000 2.313 1206 Q HA 0.115 4.454 4.340 -0.001 0.000 0.266 1206 Q C -0.642 175.418 176.000 0.099 0.000 0.989 1206 Q CA -0.322 55.575 55.803 0.156 0.000 0.890 1206 Q CB 0.600 29.496 28.738 0.264 0.000 1.200 1206 Q HN 0.530 nan 8.270 nan 0.000 0.396 1207 L N 3.002 124.292 121.223 0.113 0.000 2.426 1207 L HA 0.506 4.845 4.340 -0.001 0.000 0.271 1207 L C 0.599 177.521 176.870 0.087 0.000 1.169 1207 L CA -0.173 54.708 54.840 0.068 0.000 0.836 1207 L CB 0.729 42.816 42.059 0.047 0.000 1.112 1207 L HN 0.785 nan 8.230 nan 0.000 0.465 1208 G N 2.298 111.137 108.800 0.065 0.000 2.718 1208 G HA2 0.666 4.625 3.960 -0.001 0.000 0.295 1208 G HA3 0.666 4.625 3.960 -0.001 0.000 0.295 1208 G C -1.638 173.362 174.900 0.166 0.000 1.421 1208 G CA -0.451 44.703 45.100 0.091 0.000 0.902 1208 G HN 0.525 nan 8.290 nan 0.000 0.501 1209 F N -0.422 119.535 119.950 0.011 0.000 2.643 1209 F HA 0.737 5.263 4.527 -0.001 0.000 0.314 1209 F C -1.144 174.693 175.800 0.061 0.000 1.096 1209 F CA -1.425 56.626 58.000 0.086 0.000 0.953 1209 F CB 2.053 41.173 39.000 0.199 0.000 1.345 1209 F HN 0.377 nan 8.300 nan 0.000 0.468 1210 D N 1.872 122.350 120.400 0.129 0.000 2.344 1210 D HA 0.094 4.734 4.640 -0.001 0.000 0.253 1210 D C 0.670 177.113 176.300 0.238 0.000 1.255 1210 D CA 0.138 54.171 54.000 0.054 0.000 0.894 1210 D CB 0.187 41.112 40.800 0.208 0.000 1.067 1210 D HN 0.518 nan 8.370 nan 0.000 0.492 1211 Y N 3.084 123.370 120.300 -0.025 0.000 2.256 1211 Y HA 0.027 4.576 4.550 -0.001 0.000 0.288 1211 Y C 1.940 177.838 175.900 -0.003 0.000 1.155 1211 Y CA 0.982 58.927 58.100 -0.259 0.000 1.203 1211 Y CB -0.753 37.281 38.460 -0.709 0.000 0.980 1211 Y HN 0.648 nan 8.280 nan 0.000 0.530 1212 G N -0.371 108.660 108.800 0.384 0.000 2.661 1212 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.685 1212 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.685 1212 G C 0.427 175.522 174.900 0.326 0.000 1.298 1212 G CA -0.187 45.096 45.100 0.305 0.000 0.855 1212 G HN 0.067 nan 8.290 nan 0.000 0.560 1213 E N 0.060 120.409 120.200 0.248 0.000 2.106 1213 E HA -0.076 4.273 4.350 -0.001 0.000 0.192 1213 E C 2.548 179.235 176.600 0.146 0.000 0.984 1213 E CA 1.063 57.596 56.400 0.222 0.000 0.806 1213 E CB -0.069 29.726 29.700 0.158 0.000 0.750 1213 E HN 0.564 nan 8.360 nan 0.000 0.458 1214 R N -0.547 120.010 120.500 0.095 0.000 2.285 1214 R HA -0.044 4.295 4.340 -0.001 0.000 0.213 1214 R C 1.857 178.162 176.300 0.008 0.000 1.068 1214 R CA 0.508 56.627 56.100 0.032 0.000 1.004 1214 R CB -0.109 30.194 30.300 0.005 0.000 0.873 1214 R HN 0.134 nan 8.270 nan 0.000 0.467 1215 F N -1.294 118.571 119.950 -0.142 0.000 2.315 1215 F HA 0.011 4.537 4.527 -0.002 0.000 0.284 1215 F C 1.300 176.879 175.800 -0.367 0.000 1.049 1215 F CA 0.614 58.436 58.000 -0.297 0.000 1.323 1215 F CB -0.137 38.625 39.000 -0.396 0.000 1.113 1215 F HN -0.100 nan 8.300 nan 0.000 0.544 1216 W N 1.230 122.495 121.300 -0.059 0.000 2.467 1216 W HA -0.089 4.570 4.660 -0.001 0.000 0.275 1216 W C 1.857 178.226 176.519 -0.249 0.000 1.239 1216 W CA 0.769 57.949 57.345 -0.275 0.000 1.266 1216 W CB -0.385 28.771 29.460 -0.506 0.000 1.112 1216 W HN -0.014 nan 8.180 nan 0.000 0.576 1217 D N -0.022 120.400 120.400 0.036 0.000 2.221 1217 D HA -0.168 4.471 4.640 -0.001 0.000 0.204 1217 D C 1.955 178.190 176.300 -0.107 0.000 0.982 1217 D CA 1.268 55.260 54.000 -0.014 0.000 0.857 1217 D CB -0.098 40.701 40.800 -0.002 0.000 0.934 1217 D HN 0.114 nan 8.370 nan 0.000 0.475 1218 I N -0.200 120.236 120.570 -0.224 0.000 2.947 1218 I HA -0.016 4.153 4.170 -0.001 0.000 0.263 1218 I C 1.843 177.727 176.117 -0.388 0.000 1.130 1218 I CA 0.536 61.669 61.300 -0.279 0.000 1.448 1218 I CB -0.377 37.438 38.000 -0.308 0.000 1.222 1218 I HN -0.128 nan 8.210 nan 0.000 0.453 1219 K N 1.247 121.255 120.400 -0.654 0.000 2.361 1219 K HA 0.154 4.473 4.320 -0.001 0.000 0.196 1219 K C 1.934 178.045 176.600 -0.814 0.000 1.039 1219 K CA 0.670 56.427 56.287 -0.883 0.000 1.001 1219 K CB -0.205 31.384 32.500 -1.519 0.000 0.795 1219 K HN 0.317 nan 8.250 nan 0.000 0.495 1220 G N 1.766 110.352 108.800 -0.356 0.000 2.448 1220 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.219 1220 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.219 1220 G C 1.353 176.157 174.900 -0.159 0.000 1.127 1220 G CA 0.411 45.445 45.100 -0.110 0.000 0.766 1220 G HN 0.299 nan 8.290 nan 0.000 0.552 1221 K N -0.497 119.799 120.400 -0.174 0.000 2.555 1221 K HA 0.266 4.585 4.320 -0.001 0.000 0.193 1221 K C 1.639 178.180 176.600 -0.098 0.000 1.032 1221 K CA 0.185 56.404 56.287 -0.113 0.000 1.004 1221 K CB 0.094 32.534 32.500 -0.100 0.000 0.804 1221 K HN 0.311 nan 8.250 nan 0.000 0.496 1222 L N -1.054 120.078 121.223 -0.152 0.000 2.730 1222 L HA 0.254 4.593 4.340 -0.001 0.000 0.236 1222 L C -0.004 176.953 176.870 0.145 0.000 1.061 1222 L CA -0.282 54.551 54.840 -0.010 0.000 0.898 1222 L CB 0.571 42.654 42.059 0.041 0.000 1.270 1222 L HN 0.028 nan 8.230 nan 0.000 0.500 1223 F N -2.219 117.756 119.950 0.042 0.000 2.686 1223 F HA 0.688 5.214 4.527 -0.002 0.000 0.311 1223 F C -0.554 175.356 175.800 0.184 0.000 1.128 1223 F CA -1.148 56.904 58.000 0.087 0.000 0.946 1223 F CB 0.905 39.951 39.000 0.077 0.000 1.336 1223 F HN -0.192 nan 8.300 nan 0.000 0.457 1224 S N 0.024 115.928 115.700 0.340 0.000 2.648 1224 S HA 0.568 5.037 4.470 -0.001 0.000 0.305 1224 S C -0.766 174.008 174.600 0.289 0.000 1.094 1224 S CA -0.896 57.426 58.200 0.204 0.000 0.983 1224 S CB 1.428 64.664 63.200 0.061 0.000 1.101 1224 S HN 1.190 nan 8.310 nan 0.000 0.514 1225 C N 1.410 120.710 119.300 0.000 0.000 2.637 1225 C HA 0.459 4.918 4.460 -0.001 0.000 0.418 1225 C C 1.108 176.113 174.990 0.025 0.000 1.319 1225 C CA -0.214 58.803 59.018 -0.001 0.000 1.949 1225 C CB -0.761 26.751 27.740 -0.379 0.000 2.639 1225 C HN 1.020 nan 8.230 nan 0.000 0.594 1226 R N 3.522 124.061 120.500 0.066 0.000 2.700 1226 R HA 0.154 4.493 4.340 -0.001 0.000 0.377 1226 R C 1.511 177.794 176.300 -0.027 0.000 1.130 1226 R CA 0.044 56.154 56.100 0.016 0.000 1.055 1226 R CB -0.227 30.093 30.300 0.035 0.000 1.387 1226 R HN 1.013 nan 8.270 nan 0.000 0.580 1227 C N -2.635 116.608 119.300 -0.095 0.000 2.450 1227 C HA 0.228 4.687 4.460 -0.001 0.000 0.279 1227 C C 1.727 176.587 174.990 -0.216 0.000 1.335 1227 C CA 0.686 59.554 59.018 -0.250 0.000 1.749 1227 C CB -0.413 26.970 27.740 -0.595 0.000 1.963 1227 C HN 0.642 nan 8.230 nan 0.000 0.501 1228 G N 0.308 109.021 108.800 -0.144 0.000 2.217 1228 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.246 1228 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.246 1228 G C 0.354 175.219 174.900 -0.058 0.000 0.990 1228 G CA 0.568 45.627 45.100 -0.068 0.000 0.627 1228 G HN 1.190 nan 8.290 nan 0.000 0.522 1229 S N 1.495 117.130 115.700 -0.108 0.000 2.563 1229 S HA 0.365 4.835 4.470 -0.001 0.000 0.294 1229 S C -0.011 174.572 174.600 -0.028 0.000 1.279 1229 S CA 0.127 58.313 58.200 -0.024 0.000 1.069 1229 S CB 0.970 64.157 63.200 -0.021 0.000 0.828 1229 S HN 0.141 nan 8.310 nan 0.000 0.497 1230 P HA -0.031 nan 4.420 nan 0.000 0.221 1230 P C 0.517 177.802 177.300 -0.024 0.000 1.145 1230 P CA 0.989 64.082 63.100 -0.013 0.000 0.795 1230 P CB 0.178 31.878 31.700 0.000 0.000 0.775 1231 K N -0.884 119.504 120.400 -0.020 0.000 2.681 1231 K HA 0.121 4.440 4.320 -0.001 0.000 0.211 1231 K C -0.219 176.343 176.600 -0.063 0.000 1.075 1231 K CA -0.587 55.680 56.287 -0.033 0.000 1.141 1231 K CB -0.865 31.629 32.500 -0.010 0.000 0.896 1231 K HN 0.103 nan 8.250 nan 0.000 0.470 1232 C N 0.794 120.042 119.300 -0.087 0.000 2.642 1232 C HA 0.145 4.604 4.460 -0.001 0.000 0.420 1232 C C 1.403 176.274 174.990 -0.198 0.000 1.349 1232 C CA 0.078 59.016 59.018 -0.134 0.000 1.821 1232 C CB -0.241 27.416 27.740 -0.139 0.000 2.637 1232 C HN 0.564 nan 8.230 nan 0.000 0.605 1233 R N 1.435 121.744 120.500 -0.318 0.000 2.508 1233 R HA 0.167 4.506 4.340 -0.001 0.000 0.300 1233 R C -0.082 175.679 176.300 -0.899 0.000 0.970 1233 R CA 0.174 55.953 56.100 -0.535 0.000 1.102 1233 R CB 0.130 30.098 30.300 -0.553 0.000 1.246 1233 R HN 0.869 nan 8.270 nan 0.000 0.539 1234 H N -1.000 117.828 119.070 -0.403 0.000 2.907 1234 H HA 0.297 4.852 4.556 -0.001 0.000 0.233 1234 H C 0.272 175.341 175.328 -0.431 0.000 1.285 1234 H CA -0.060 55.640 56.048 -0.581 0.000 0.981 1234 H CB 0.847 29.824 29.762 -1.308 0.000 2.255 1234 H HN 0.170 nan 8.280 nan 0.000 0.601 1235 S N 0.000 115.579 115.700 -0.202 0.000 2.498 1235 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1235 S CA 0.000 58.123 58.200 -0.128 0.000 1.107 1235 S CB 0.000 63.136 63.200 -0.107 0.000 0.593 1235 S HN 0.000 nan 8.310 nan 0.000 0.517