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 2poq_1_X DATA FIRST_RESID 1002 DATA SEQUENCE ALRWGIVSVG LISSDFTAVL QTLPRSEHQV VAVAARDLSR AKEFAQKHDI DATA SEQUENCE PKAYGSYEEL AKDPNVEVAY VGTQHPQHKA AVMLCLAAGK AVLCEKPMGV DATA SEQUENCE NAAEVREMVT EARSRGLFLM EAIWTRFFPA SEALRSVLAQ GTLGDLRVAR DATA SEQUENCE AEFGKNLTHV PRAVDWAQAG GALLDLGIYC VQFISMVFGG QKPEKISVMG DATA SEQUENCE RRHETGVDDT VTVLLQYPGE VHGSFTCSIT AQLSNTASVS GTKGMAQLLN DATA SEQUENCE PCWCPTELVV KGEHKEFLLP PVPKNCNFDN GAGMSYEAKH VRECLRKGLK DATA SEQUENCE ESPVIPLVES ELLADILEEV RRAIGVTFPQ D 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 1002 A HA 0.000 nan 4.320 nan 0.000 0.244 1002 A C 0.000 177.516 177.584 -0.113 0.000 1.274 1002 A CA 0.000 51.990 52.037 -0.077 0.000 0.836 1002 A CB 0.000 18.985 19.000 -0.025 0.000 0.831 1003 L N 1.210 122.320 121.223 -0.188 0.000 2.433 1003 L HA 0.448 4.788 4.340 -0.001 0.000 0.275 1003 L C 0.427 177.209 176.870 -0.146 0.000 1.128 1003 L CA 0.701 55.394 54.840 -0.246 0.000 0.875 1003 L CB -0.190 41.646 42.059 -0.373 0.000 1.171 1003 L HN 0.558 nan 8.230 nan 0.000 0.463 1004 R N 4.917 125.320 120.500 -0.161 0.000 2.198 1004 R HA 0.236 4.575 4.340 -0.001 0.000 0.339 1004 R C -1.365 174.889 176.300 -0.076 0.000 1.020 1004 R CA -0.337 55.743 56.100 -0.033 0.000 0.864 1004 R CB 0.613 30.902 30.300 -0.018 0.000 1.105 1004 R HN 0.592 nan 8.270 nan 0.000 0.463 1005 W N 1.345 122.683 121.300 0.064 0.000 2.417 1005 W HA 0.444 5.103 4.660 -0.002 0.000 0.317 1005 W C 0.678 177.260 176.519 0.105 0.000 1.121 1005 W CA -0.341 57.064 57.345 0.099 0.000 1.208 1005 W CB 1.828 31.353 29.460 0.108 0.000 1.253 1005 W HN 0.574 nan 8.180 nan 0.000 0.533 1006 G N 4.016 113.032 108.800 0.360 0.000 2.416 1006 G HA2 0.644 4.603 3.960 -0.001 0.000 0.324 1006 G HA3 0.644 4.603 3.960 -0.001 0.000 0.324 1006 G C -1.302 173.783 174.900 0.308 0.000 1.194 1006 G CA -0.716 44.551 45.100 0.278 0.000 0.922 1006 G HN 0.275 nan 8.290 nan 0.000 0.467 1007 I N 2.353 123.065 120.570 0.237 0.000 2.336 1007 I HA 0.275 4.445 4.170 -0.001 0.000 0.292 1007 I C -0.152 175.994 176.117 0.049 0.000 0.991 1007 I CA -0.949 60.475 61.300 0.207 0.000 1.227 1007 I CB 1.427 39.506 38.000 0.131 0.000 1.366 1007 I HN 0.023 nan 8.210 nan 0.000 0.466 1008 V N 6.330 126.221 119.914 -0.039 0.000 2.347 1008 V HA 0.537 4.656 4.120 -0.001 0.000 0.280 1008 V C 0.113 176.006 176.094 -0.334 0.000 1.021 1008 V CA -0.170 61.958 62.300 -0.287 0.000 0.847 1008 V CB 1.106 32.658 31.823 -0.452 0.000 0.990 1008 V HN 1.097 nan 8.190 nan 0.000 0.444 1009 S N 4.143 119.690 115.700 -0.255 0.000 3.425 1009 S HA -0.097 4.372 4.470 -0.001 0.000 0.815 1009 S C -0.059 174.415 174.600 -0.210 0.000 1.102 1009 S CA 0.218 58.358 58.200 -0.100 0.000 1.114 1009 S CB -0.637 62.528 63.200 -0.058 0.000 0.716 1009 S HN 2.113 nan 8.310 nan 0.000 0.321 1010 V N 0.018 119.824 119.914 -0.179 0.000 3.252 1010 V HA 0.746 4.865 4.120 -0.001 0.000 0.320 1010 V C 1.352 177.461 176.094 0.025 0.000 1.459 1010 V CA 0.756 62.843 62.300 -0.355 0.000 1.095 1010 V CB -0.130 31.469 31.823 -0.374 0.000 0.997 1010 V HN 1.650 nan 8.190 nan 0.000 0.469 1011 G N 0.424 109.260 108.800 0.060 0.000 2.489 1011 G HA2 0.350 4.310 3.960 -0.001 0.000 0.271 1011 G HA3 0.350 4.310 3.960 -0.001 0.000 0.271 1011 G C 0.689 175.704 174.900 0.193 0.000 1.427 1011 G CA -0.190 44.990 45.100 0.133 0.000 1.057 1011 G HN 0.273 nan 8.290 nan 0.000 0.532 1012 L N -0.872 120.466 121.223 0.190 0.000 2.017 1012 L HA -0.083 4.256 4.340 -0.001 0.000 0.208 1012 L C 2.796 179.842 176.870 0.294 0.000 1.073 1012 L CA 0.696 55.653 54.840 0.196 0.000 0.745 1012 L CB -0.446 41.681 42.059 0.113 0.000 0.894 1012 L HN 0.406 nan 8.230 nan 0.000 0.432 1013 I N -0.374 120.422 120.570 0.377 0.000 2.264 1013 I HA -0.281 3.888 4.170 -0.001 0.000 0.248 1013 I C 2.560 178.842 176.117 0.275 0.000 1.111 1013 I CA 1.431 62.931 61.300 0.334 0.000 1.382 1013 I CB -0.151 37.958 38.000 0.181 0.000 1.060 1013 I HN 0.084 nan 8.210 nan 0.000 0.418 1014 S N -0.201 115.658 115.700 0.264 0.000 2.382 1014 S HA -0.152 4.318 4.470 -0.001 0.000 0.228 1014 S C 2.107 176.849 174.600 0.237 0.000 1.027 1014 S CA 1.416 59.773 58.200 0.262 0.000 0.991 1014 S CB -0.294 62.967 63.200 0.103 0.000 0.823 1014 S HN 0.544 nan 8.310 nan 0.000 0.469 1015 S N 1.941 117.811 115.700 0.283 0.000 2.353 1015 S HA -0.147 4.322 4.470 -0.001 0.000 0.222 1015 S C 1.574 176.194 174.600 0.033 0.000 1.035 1015 S CA 1.440 59.729 58.200 0.148 0.000 1.025 1015 S CB -0.639 62.701 63.200 0.233 0.000 0.902 1015 S HN 0.453 nan 8.310 nan 0.000 0.440 1016 D N 0.711 121.170 120.400 0.098 0.000 2.106 1016 D HA -0.101 4.538 4.640 -0.001 0.000 0.191 1016 D C 1.573 177.860 176.300 -0.021 0.000 0.997 1016 D CA 0.968 55.007 54.000 0.063 0.000 0.834 1016 D CB -0.422 40.464 40.800 0.143 0.000 0.956 1016 D HN 0.300 nan 8.370 nan 0.000 0.448 1017 F N 1.193 121.010 119.950 -0.221 0.000 2.146 1017 F HA -0.162 4.365 4.527 -0.001 0.000 0.298 1017 F C 2.411 177.941 175.800 -0.450 0.000 1.096 1017 F CA 1.267 58.992 58.000 -0.459 0.000 1.275 1017 F CB -0.619 37.829 39.000 -0.921 0.000 1.008 1017 F HN -0.110 nan 8.300 nan 0.000 0.480 1018 T N 0.443 114.801 114.554 -0.327 0.000 2.708 1018 T HA -0.164 4.185 4.350 -0.001 0.000 0.266 1018 T C 2.252 176.743 174.700 -0.349 0.000 1.037 1018 T CA 1.393 63.272 62.100 -0.370 0.000 1.146 1018 T CB -0.884 67.823 68.868 -0.268 0.000 0.865 1018 T HN 0.327 nan 8.240 nan 0.000 0.435 1019 A N 1.122 123.790 122.820 -0.253 0.000 1.873 1019 A HA -0.134 4.185 4.320 -0.001 0.000 0.218 1019 A C 2.603 180.052 177.584 -0.225 0.000 1.193 1019 A CA 1.880 53.835 52.037 -0.138 0.000 0.629 1019 A CB -1.236 17.744 19.000 -0.033 0.000 0.826 1019 A HN 0.353 nan 8.150 nan 0.000 0.447 1020 V N -0.063 119.661 119.914 -0.316 0.000 2.295 1020 V HA -0.267 3.852 4.120 -0.001 0.000 0.246 1020 V C 2.572 178.366 176.094 -0.500 0.000 1.049 1020 V CA 2.050 64.124 62.300 -0.377 0.000 1.024 1020 V CB -0.765 30.815 31.823 -0.405 0.000 0.648 1020 V HN 0.580 nan 8.190 nan 0.000 0.447 1021 L N -0.689 120.097 121.223 -0.728 0.000 2.127 1021 L HA -0.236 4.103 4.340 -0.001 0.000 0.211 1021 L C 2.419 179.046 176.870 -0.405 0.000 1.089 1021 L CA 1.480 55.874 54.840 -0.743 0.000 0.757 1021 L CB -0.430 41.065 42.059 -0.939 0.000 0.899 1021 L HN 0.376 nan 8.230 nan 0.000 0.434 1022 Q N -0.919 118.700 119.800 -0.302 0.000 2.444 1022 Q HA -0.071 4.268 4.340 -0.001 0.000 0.206 1022 Q C 1.621 177.539 176.000 -0.136 0.000 0.948 1022 Q CA 1.055 56.759 55.803 -0.166 0.000 0.946 1022 Q CB 0.224 28.897 28.738 -0.108 0.000 1.027 1022 Q HN 0.545 nan 8.270 nan 0.000 0.513 1023 T N -3.349 111.099 114.554 -0.177 0.000 3.069 1023 T HA 0.265 4.614 4.350 -0.001 0.000 0.252 1023 T C 0.556 175.175 174.700 -0.135 0.000 1.053 1023 T CA -0.233 61.784 62.100 -0.139 0.000 0.964 1023 T CB 0.190 68.970 68.868 -0.147 0.000 1.005 1023 T HN -0.018 nan 8.240 nan 0.000 0.532 1024 L N 1.258 122.383 121.223 -0.163 0.000 2.416 1024 L HA 0.499 4.839 4.340 -0.001 0.000 0.262 1024 L C -2.285 174.577 176.870 -0.014 0.000 1.093 1024 L CA -2.836 51.931 54.840 -0.120 0.000 0.801 1024 L CB 0.158 42.071 42.059 -0.244 0.000 1.191 1024 L HN -0.113 nan 8.230 nan 0.000 0.459 1025 P HA 0.066 nan 4.420 nan 0.000 0.264 1025 P C -0.209 177.129 177.300 0.062 0.000 1.193 1025 P CA 0.069 63.193 63.100 0.040 0.000 0.763 1025 P CB 0.411 32.138 31.700 0.045 0.000 0.810 1026 R N 1.455 121.976 120.500 0.035 0.000 2.280 1026 R HA -0.048 4.291 4.340 -0.001 0.000 0.207 1026 R C 1.676 177.995 176.300 0.032 0.000 1.043 1026 R CA 1.275 57.398 56.100 0.037 0.000 1.006 1026 R CB -0.441 29.870 30.300 0.018 0.000 0.885 1026 R HN 0.520 nan 8.270 nan 0.000 0.467 1027 S N 0.294 116.006 115.700 0.021 0.000 2.528 1027 S HA 0.031 4.500 4.470 -0.001 0.000 0.219 1027 S C 1.423 176.013 174.600 -0.016 0.000 0.985 1027 S CA 0.189 58.390 58.200 0.002 0.000 0.914 1027 S CB 0.266 63.465 63.200 -0.002 0.000 0.776 1027 S HN 0.336 nan 8.310 nan 0.000 0.526 1028 E N 0.243 120.446 120.200 0.003 0.000 2.201 1028 E HA 0.176 4.526 4.350 -0.001 0.000 0.193 1028 E C -0.103 176.334 176.600 -0.271 0.000 0.957 1028 E CA 0.400 56.754 56.400 -0.076 0.000 0.858 1028 E CB 0.238 29.962 29.700 0.039 0.000 0.816 1028 E HN 0.583 nan 8.360 nan 0.000 0.475 1029 H N 0.012 119.121 119.070 0.065 0.000 2.865 1029 H HA 0.402 4.957 4.556 -0.001 0.000 0.362 1029 H C -0.944 174.455 175.328 0.118 0.000 1.114 1029 H CA -0.445 55.693 56.048 0.150 0.000 1.208 1029 H CB 1.733 31.570 29.762 0.124 0.000 1.727 1029 H HN -0.040 nan 8.280 nan 0.000 0.534 1030 Q N 1.545 121.515 119.800 0.283 0.000 2.315 1030 Q HA 0.388 4.727 4.340 -0.001 0.000 0.273 1030 Q C -1.107 175.039 176.000 0.243 0.000 1.053 1030 Q CA -0.842 55.070 55.803 0.182 0.000 0.817 1030 Q CB 3.607 32.411 28.738 0.110 0.000 1.326 1030 Q HN 0.306 nan 8.270 nan 0.000 0.423 1031 V N 3.123 123.135 119.914 0.164 0.000 2.333 1031 V HA 0.170 4.289 4.120 -0.001 0.000 0.274 1031 V C 0.672 176.856 176.094 0.149 0.000 1.028 1031 V CA -0.238 62.170 62.300 0.180 0.000 0.851 1031 V CB 0.992 32.870 31.823 0.091 0.000 1.000 1031 V HN 0.786 nan 8.190 nan 0.000 0.456 1032 V N 1.488 121.504 119.914 0.169 0.000 3.556 1032 V HA 0.847 4.967 4.120 -0.001 0.000 0.287 1032 V C 0.498 176.675 176.094 0.139 0.000 1.422 1032 V CA 0.600 62.978 62.300 0.131 0.000 1.038 1032 V CB 0.215 32.109 31.823 0.117 0.000 0.850 1032 V HN 0.922 nan 8.190 nan 0.000 0.437 1033 A N -0.549 122.377 122.820 0.177 0.000 2.608 1033 A HA 0.841 5.160 4.320 -0.001 0.000 0.292 1033 A C -1.486 176.223 177.584 0.208 0.000 1.066 1033 A CA 0.058 52.211 52.037 0.194 0.000 0.676 1033 A CB 2.078 21.277 19.000 0.331 0.000 1.277 1033 A HN 1.165 nan 8.150 nan 0.000 0.413 1034 V N -0.229 119.803 119.914 0.197 0.000 2.971 1034 V HA 0.923 5.042 4.120 -0.001 0.000 0.309 1034 V C -0.705 175.513 176.094 0.206 0.000 1.130 1034 V CA 0.211 62.603 62.300 0.154 0.000 0.964 1034 V CB 1.916 33.807 31.823 0.114 0.000 1.029 1034 V HN 2.401 nan 8.190 nan 0.000 0.427 1035 A N 4.241 127.159 122.820 0.164 0.000 2.414 1035 A HA 1.058 5.377 4.320 -0.001 0.000 0.306 1035 A C -0.406 177.325 177.584 0.246 0.000 1.054 1035 A CA 0.013 52.212 52.037 0.270 0.000 0.724 1035 A CB 1.827 21.036 19.000 0.348 0.000 1.267 1035 A HN 2.166 nan 8.150 nan 0.000 0.418 1036 A N 0.922 123.883 122.820 0.235 0.000 2.483 1036 A HA 0.763 5.082 4.320 -0.001 0.000 0.286 1036 A C 0.528 178.161 177.584 0.082 0.000 1.207 1036 A CA -0.685 51.477 52.037 0.208 0.000 0.764 1036 A CB 0.802 19.866 19.000 0.106 0.000 1.341 1036 A HN 0.784 nan 8.150 nan 0.000 0.428 1037 R N -0.433 120.059 120.500 -0.012 0.000 2.307 1037 R HA 0.051 4.391 4.340 -0.001 0.000 0.199 1037 R C -0.854 175.410 176.300 -0.061 0.000 1.000 1037 R CA 1.307 57.321 56.100 -0.143 0.000 1.023 1037 R CB -0.146 30.048 30.300 -0.176 0.000 0.908 1037 R HN 0.837 nan 8.270 nan 0.000 0.473 1038 D N -2.864 117.536 120.400 -0.001 0.000 2.661 1038 D HA 0.030 4.669 4.640 -0.001 0.000 0.228 1038 D C 0.374 176.701 176.300 0.046 0.000 1.210 1038 D CA -0.746 53.264 54.000 0.016 0.000 0.826 1038 D CB 0.525 41.333 40.800 0.013 0.000 1.542 1038 D HN -0.267 nan 8.370 nan 0.000 0.447 1039 L N 0.655 121.906 121.223 0.048 0.000 2.079 1039 L HA -0.201 4.138 4.340 -0.001 0.000 0.210 1039 L C 2.151 179.056 176.870 0.058 0.000 1.081 1039 L CA 2.118 56.993 54.840 0.058 0.000 0.752 1039 L CB -0.308 41.780 42.059 0.048 0.000 0.896 1039 L HN 0.694 nan 8.230 nan 0.000 0.433 1040 S N -0.461 115.269 115.700 0.050 0.000 2.355 1040 S HA -0.231 4.239 4.470 -0.001 0.000 0.222 1040 S C 2.003 176.648 174.600 0.074 0.000 1.031 1040 S CA 0.832 59.064 58.200 0.053 0.000 0.993 1040 S CB -0.400 62.825 63.200 0.041 0.000 0.859 1040 S HN 0.381 nan 8.310 nan 0.000 0.453 1041 R N 1.460 122.007 120.500 0.078 0.000 2.119 1041 R HA -0.084 4.255 4.340 -0.001 0.000 0.246 1041 R C 2.729 179.118 176.300 0.148 0.000 1.146 1041 R CA 1.578 57.743 56.100 0.107 0.000 0.962 1041 R CB -0.894 29.459 30.300 0.088 0.000 0.863 1041 R HN 0.632 nan 8.270 nan 0.000 0.442 1042 A N 1.172 124.066 122.820 0.124 0.000 1.873 1042 A HA -0.154 4.165 4.320 -0.001 0.000 0.215 1042 A C 1.931 179.614 177.584 0.165 0.000 1.186 1042 A CA 1.244 53.366 52.037 0.143 0.000 0.616 1042 A CB -0.256 18.813 19.000 0.115 0.000 0.823 1042 A HN 0.173 nan 8.150 nan 0.000 0.442 1043 K N -0.593 119.871 120.400 0.108 0.000 2.057 1043 K HA -0.192 4.127 4.320 -0.001 0.000 0.207 1043 K C 2.145 178.806 176.600 0.101 0.000 1.049 1043 K CA 1.541 57.878 56.287 0.082 0.000 0.931 1043 K CB -0.167 32.361 32.500 0.046 0.000 0.714 1043 K HN 0.700 nan 8.250 nan 0.000 0.440 1044 E N 0.307 120.573 120.200 0.109 0.000 2.085 1044 E HA -0.225 4.125 4.350 -0.001 0.000 0.194 1044 E C 1.890 178.567 176.600 0.128 0.000 0.994 1044 E CA 1.096 57.554 56.400 0.096 0.000 0.801 1044 E CB -0.141 29.613 29.700 0.090 0.000 0.743 1044 E HN 0.233 nan 8.360 nan 0.000 0.453 1045 F N 0.975 120.973 119.950 0.080 0.000 2.095 1045 F HA -0.217 4.310 4.527 -0.001 0.000 0.298 1045 F C 2.193 178.086 175.800 0.155 0.000 1.104 1045 F CA 1.808 59.896 58.000 0.146 0.000 1.232 1045 F CB -0.384 38.705 39.000 0.148 0.000 0.987 1045 F HN 0.115 nan 8.300 nan 0.000 0.475 1046 A N -0.227 122.787 122.820 0.324 0.000 1.902 1046 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 1046 A C 2.136 179.758 177.584 0.063 0.000 1.181 1046 A CA 1.589 53.747 52.037 0.202 0.000 0.623 1046 A CB -0.693 18.398 19.000 0.151 0.000 0.818 1046 A HN 0.474 nan 8.150 nan 0.000 0.443 1047 Q N -0.235 119.579 119.800 0.023 0.000 1.967 1047 Q HA -0.198 4.141 4.340 -0.001 0.000 0.202 1047 Q C 2.101 178.041 176.000 -0.100 0.000 0.985 1047 Q CA 1.986 57.772 55.803 -0.029 0.000 0.839 1047 Q CB -0.650 28.073 28.738 -0.025 0.000 0.906 1047 Q HN 0.774 nan 8.270 nan 0.000 0.423 1048 K N -0.219 120.081 120.400 -0.167 0.000 2.127 1048 K HA -0.192 4.128 4.320 -0.001 0.000 0.208 1048 K C 1.384 177.684 176.600 -0.500 0.000 1.047 1048 K CA 1.495 57.570 56.287 -0.352 0.000 0.927 1048 K CB 0.006 32.230 32.500 -0.461 0.000 0.716 1048 K HN 0.327 nan 8.250 nan 0.000 0.450 1049 H N -1.204 117.707 119.070 -0.266 0.000 2.672 1049 H HA 0.058 4.613 4.556 -0.001 0.000 0.277 1049 H C -0.473 174.788 175.328 -0.112 0.000 1.074 1049 H CA 0.435 56.340 56.048 -0.239 0.000 1.173 1049 H CB 0.583 30.119 29.762 -0.377 0.000 1.558 1049 H HN 0.296 nan 8.280 nan 0.000 0.539 1050 D N 1.016 121.421 120.400 0.008 0.000 2.778 1050 D HA -0.161 4.478 4.640 -0.001 0.000 0.246 1050 D C -0.937 175.391 176.300 0.045 0.000 1.107 1050 D CA 0.226 54.233 54.000 0.013 0.000 0.732 1050 D CB -1.599 39.197 40.800 -0.007 0.000 1.055 1050 D HN 0.375 nan 8.370 nan 0.000 0.429 1051 I N 1.356 121.967 120.570 0.069 0.000 2.410 1051 I HA 0.299 4.468 4.170 -0.001 0.000 0.286 1051 I C -0.981 175.169 176.117 0.056 0.000 1.009 1051 I CA -1.932 59.421 61.300 0.089 0.000 1.111 1051 I CB 1.812 39.907 38.000 0.159 0.000 1.262 1051 I HN -0.081 nan 8.210 nan 0.000 0.443 1052 P HA -0.158 nan 4.420 nan 0.000 0.218 1052 P C 0.222 177.512 177.300 -0.018 0.000 1.148 1052 P CA 1.292 64.400 63.100 0.015 0.000 0.822 1052 P CB 0.333 32.046 31.700 0.021 0.000 0.784 1053 K N -0.298 120.082 120.400 -0.033 0.000 2.378 1053 K HA 0.645 4.964 4.320 -0.001 0.000 0.252 1053 K C -1.494 174.958 176.600 -0.247 0.000 0.931 1053 K CA -0.742 55.445 56.287 -0.168 0.000 0.794 1053 K CB 2.003 34.399 32.500 -0.174 0.000 1.181 1053 K HN -0.076 nan 8.250 nan 0.000 0.425 1054 A N 3.130 125.722 122.820 -0.380 0.000 2.386 1054 A HA 0.766 5.085 4.320 -0.001 0.000 0.311 1054 A C -1.807 175.546 177.584 -0.384 0.000 1.068 1054 A CA -0.541 51.347 52.037 -0.248 0.000 0.743 1054 A CB 0.678 19.646 19.000 -0.053 0.000 1.258 1054 A HN 0.610 nan 8.150 nan 0.000 0.429 1055 Y N -0.475 119.871 120.300 0.078 0.000 2.553 1055 Y HA 0.555 5.105 4.550 -0.001 0.000 0.347 1055 Y C 1.096 177.034 175.900 0.064 0.000 1.019 1055 Y CA -0.186 57.954 58.100 0.067 0.000 1.032 1055 Y CB 2.607 41.112 38.460 0.075 0.000 1.284 1055 Y HN 0.723 nan 8.280 nan 0.000 0.466 1056 G N -0.011 108.922 108.800 0.221 0.000 3.393 1056 G HA2 0.367 4.326 3.960 -0.001 0.000 0.255 1056 G HA3 0.367 4.326 3.960 -0.001 0.000 0.255 1056 G C -0.376 174.556 174.900 0.054 0.000 1.097 1056 G CA 0.369 45.535 45.100 0.112 0.000 0.780 1056 G HN 0.538 nan 8.290 nan 0.000 0.540 1057 S N -1.616 114.134 115.700 0.085 0.000 2.579 1057 S HA 0.491 4.961 4.470 -0.001 0.000 0.272 1057 S C 0.267 174.928 174.600 0.103 0.000 1.141 1057 S CA -0.689 57.500 58.200 -0.019 0.000 0.843 1057 S CB 1.134 64.304 63.200 -0.051 0.000 1.122 1057 S HN -0.053 nan 8.310 nan 0.000 0.468 1058 Y N 0.831 121.121 120.300 -0.017 0.000 2.263 1058 Y HA 0.112 4.661 4.550 -0.002 0.000 0.292 1058 Y C 2.596 178.449 175.900 -0.080 0.000 1.130 1058 Y CA 1.219 59.297 58.100 -0.035 0.000 1.179 1058 Y CB -1.093 37.351 38.460 -0.027 0.000 0.998 1058 Y HN 0.926 nan 8.280 nan 0.000 0.532 1059 E N 0.996 121.240 120.200 0.073 0.000 2.130 1059 E HA -0.234 4.116 4.350 -0.001 0.000 0.196 1059 E C 1.769 178.310 176.600 -0.099 0.000 0.998 1059 E CA 1.969 58.362 56.400 -0.010 0.000 0.806 1059 E CB -0.119 29.569 29.700 -0.020 0.000 0.738 1059 E HN 0.553 nan 8.360 nan 0.000 0.459 1060 E N -0.191 119.905 120.200 -0.173 0.000 2.072 1060 E HA -0.140 4.209 4.350 -0.001 0.000 0.191 1060 E C 2.214 178.340 176.600 -0.790 0.000 0.985 1060 E CA 1.022 57.167 56.400 -0.425 0.000 0.801 1060 E CB -0.211 29.243 29.700 -0.410 0.000 0.750 1060 E HN 0.318 nan 8.360 nan 0.000 0.452 1061 L N 0.642 121.492 121.223 -0.622 0.000 2.083 1061 L HA -0.186 4.153 4.340 -0.001 0.000 0.209 1061 L C 2.327 179.097 176.870 -0.168 0.000 1.083 1061 L CA 1.385 56.011 54.840 -0.358 0.000 0.752 1061 L CB -0.227 41.829 42.059 -0.005 0.000 0.899 1061 L HN 0.100 nan 8.230 nan 0.000 0.433 1062 A N -0.169 122.584 122.820 -0.112 0.000 1.883 1062 A HA -0.273 4.046 4.320 -0.001 0.000 0.217 1062 A C 2.242 179.782 177.584 -0.073 0.000 1.186 1062 A CA 2.144 54.143 52.037 -0.063 0.000 0.624 1062 A CB -0.464 18.513 19.000 -0.037 0.000 0.822 1062 A HN 0.477 nan 8.150 nan 0.000 0.444 1063 K N -0.142 120.192 120.400 -0.111 0.000 2.487 1063 K HA -0.009 4.310 4.320 -0.001 0.000 0.192 1063 K C -0.073 176.484 176.600 -0.072 0.000 1.027 1063 K CA 0.145 56.381 56.287 -0.084 0.000 1.054 1063 K CB 0.083 32.532 32.500 -0.085 0.000 0.824 1063 K HN 0.407 nan 8.250 nan 0.000 0.510 1064 D N 1.674 122.019 120.400 -0.093 0.000 2.382 1064 D HA -0.012 4.627 4.640 -0.001 0.000 0.259 1064 D C -1.600 174.709 176.300 0.015 0.000 1.224 1064 D CA -1.896 52.099 54.000 -0.008 0.000 0.894 1064 D CB 1.296 42.127 40.800 0.052 0.000 1.127 1064 D HN 0.004 nan 8.370 nan 0.000 0.487 1065 P HA -0.049 nan 4.420 nan 0.000 0.237 1065 P C 0.700 178.012 177.300 0.019 0.000 1.178 1065 P CA 0.424 63.533 63.100 0.014 0.000 0.766 1065 P CB 0.454 32.162 31.700 0.014 0.000 0.876 1066 N N -0.529 118.196 118.700 0.041 0.000 2.409 1066 N HA -0.014 4.725 4.740 -0.001 0.000 0.179 1066 N C 0.199 175.727 175.510 0.030 0.000 1.032 1066 N CA 0.325 53.399 53.050 0.040 0.000 0.898 1066 N CB -0.099 38.427 38.487 0.065 0.000 0.971 1066 N HN -0.080 nan 8.380 nan 0.000 0.441 1067 V N 0.961 120.896 119.914 0.036 0.000 2.530 1067 V HA 0.109 4.228 4.120 -0.001 0.000 0.282 1067 V C 0.816 176.892 176.094 -0.030 0.000 1.048 1067 V CA 0.085 62.398 62.300 0.022 0.000 0.997 1067 V CB 1.572 33.426 31.823 0.053 0.000 0.987 1067 V HN 0.233 nan 8.190 nan 0.000 0.477 1068 E N 2.800 122.949 120.200 -0.084 0.000 2.290 1068 E HA 0.198 4.547 4.350 -0.001 0.000 0.199 1068 E C -0.080 176.418 176.600 -0.170 0.000 0.912 1068 E CA 0.329 56.652 56.400 -0.128 0.000 0.924 1068 E CB 1.493 31.088 29.700 -0.176 0.000 0.901 1068 E HN 0.437 nan 8.360 nan 0.000 0.487 1069 V N 0.541 120.302 119.914 -0.256 0.000 2.709 1069 V HA 0.702 4.821 4.120 -0.001 0.000 0.308 1069 V C -1.698 174.335 176.094 -0.101 0.000 1.062 1069 V CA -0.718 61.408 62.300 -0.290 0.000 0.901 1069 V CB 1.671 33.090 31.823 -0.672 0.000 1.003 1069 V HN 0.115 nan 8.190 nan 0.000 0.425 1070 A N 5.506 128.347 122.820 0.035 0.000 2.318 1070 A HA 0.734 5.053 4.320 -0.001 0.000 0.324 1070 A C -1.448 176.304 177.584 0.280 0.000 1.170 1070 A CA -0.494 51.636 52.037 0.154 0.000 0.810 1070 A CB 0.964 19.992 19.000 0.047 0.000 1.198 1070 A HN 1.236 nan 8.150 nan 0.000 0.484 1071 Y N 3.051 123.512 120.300 0.268 0.000 2.353 1071 Y HA 0.510 5.059 4.550 -0.001 0.000 0.340 1071 Y C -0.785 175.100 175.900 -0.024 0.000 0.972 1071 Y CA -0.679 57.541 58.100 0.200 0.000 1.157 1071 Y CB 1.317 39.951 38.460 0.290 0.000 1.157 1071 Y HN 0.354 nan 8.280 nan 0.000 0.495 1072 V N 7.292 126.801 119.914 -0.676 0.000 2.304 1072 V HA 0.277 4.396 4.120 -0.001 0.000 0.269 1072 V C 0.850 176.395 176.094 -0.915 0.000 1.036 1072 V CA 0.370 62.295 62.300 -0.626 0.000 0.840 1072 V CB 0.781 32.349 31.823 -0.426 0.000 1.036 1072 V HN 1.081 nan 8.190 nan 0.000 0.466 1073 G N 3.025 111.383 108.800 -0.736 0.000 3.189 1073 G HA2 0.043 4.002 3.960 -0.001 0.000 0.225 1073 G HA3 0.043 4.002 3.960 -0.001 0.000 0.225 1073 G C 0.822 175.616 174.900 -0.176 0.000 1.159 1073 G CA 0.507 45.325 45.100 -0.470 0.000 0.763 1073 G HN 0.682 nan 8.290 nan 0.000 0.549 1074 T N -1.247 113.226 114.554 -0.134 0.000 2.724 1074 T HA 0.196 4.545 4.350 -0.001 0.000 0.324 1074 T C 0.470 175.246 174.700 0.127 0.000 1.071 1074 T CA -0.365 61.754 62.100 0.032 0.000 1.061 1074 T CB 0.821 69.728 68.868 0.065 0.000 0.990 1074 T HN 0.174 nan 8.240 nan 0.000 0.543 1075 Q N 0.405 120.218 119.800 0.022 0.000 2.492 1075 Q HA 0.088 4.427 4.340 -0.001 0.000 0.238 1075 Q C 1.665 177.529 176.000 -0.227 0.000 1.045 1075 Q CA 0.024 55.764 55.803 -0.105 0.000 0.934 1075 Q CB 0.169 28.819 28.738 -0.147 0.000 1.276 1075 Q HN 0.919 nan 8.270 nan 0.000 0.521 1076 H N 0.685 119.512 119.070 -0.405 0.000 2.289 1076 H HA -0.155 4.400 4.556 -0.001 0.000 0.296 1076 H C -0.763 174.164 175.328 -0.667 0.000 1.091 1076 H CA 1.304 56.922 56.048 -0.716 0.000 1.274 1076 H CB -0.900 28.567 29.762 -0.492 0.000 1.364 1076 H HN 0.520 nan 8.280 nan 0.000 0.490 1077 P HA -0.045 nan 4.420 nan 0.000 0.236 1077 P C 0.683 177.878 177.300 -0.175 0.000 1.177 1077 P CA 0.977 63.919 63.100 -0.264 0.000 0.773 1077 P CB 0.263 31.809 31.700 -0.257 0.000 0.878 1078 Q N -1.997 117.719 119.800 -0.140 0.000 2.360 1078 Q HA 0.036 4.375 4.340 -0.001 0.000 0.202 1078 Q C 1.600 177.640 176.000 0.066 0.000 0.915 1078 Q CA 0.441 56.237 55.803 -0.012 0.000 0.943 1078 Q CB -0.762 28.006 28.738 0.050 0.000 1.064 1078 Q HN 0.506 nan 8.270 nan 0.000 0.511 1079 H N -0.131 118.903 119.070 -0.060 0.000 2.321 1079 H HA -0.112 4.444 4.556 -0.001 0.000 0.300 1079 H C 1.854 177.140 175.328 -0.069 0.000 1.087 1079 H CA 1.184 57.180 56.048 -0.088 0.000 1.319 1079 H CB 0.288 29.989 29.762 -0.103 0.000 1.379 1079 H HN 0.101 nan 8.280 nan 0.000 0.501 1080 K N 1.084 121.526 120.400 0.070 0.000 2.026 1080 K HA -0.132 4.187 4.320 -0.001 0.000 0.208 1080 K C 2.421 179.032 176.600 0.019 0.000 1.048 1080 K CA 1.131 57.433 56.287 0.025 0.000 0.929 1080 K CB -0.119 32.379 32.500 -0.004 0.000 0.713 1080 K HN 0.226 nan 8.250 nan 0.000 0.439 1081 A N 0.895 123.732 122.820 0.028 0.000 1.930 1081 A HA -0.024 4.295 4.320 -0.001 0.000 0.217 1081 A C 2.279 179.895 177.584 0.055 0.000 1.175 1081 A CA 1.633 53.691 52.037 0.035 0.000 0.627 1081 A CB -0.611 18.412 19.000 0.038 0.000 0.815 1081 A HN 0.492 nan 8.150 nan 0.000 0.443 1082 A N -0.366 122.496 122.820 0.071 0.000 1.855 1082 A HA 0.007 4.327 4.320 -0.001 0.000 0.215 1082 A C 2.217 179.787 177.584 -0.023 0.000 1.191 1082 A CA 1.746 53.807 52.037 0.040 0.000 0.613 1082 A CB -1.053 17.906 19.000 -0.068 0.000 0.829 1082 A HN 0.378 nan 8.150 nan 0.000 0.442 1083 V N 0.323 120.214 119.914 -0.038 0.000 2.252 1083 V HA -0.353 3.766 4.120 -0.001 0.000 0.249 1083 V C 2.727 178.807 176.094 -0.024 0.000 1.056 1083 V CA 2.237 64.509 62.300 -0.047 0.000 1.022 1083 V CB -0.767 31.025 31.823 -0.051 0.000 0.641 1083 V HN 0.521 nan 8.190 nan 0.000 0.445 1084 M N -0.965 118.629 119.600 -0.009 0.000 2.149 1084 M HA -0.161 4.318 4.480 -0.001 0.000 0.261 1084 M C 2.236 178.535 176.300 -0.002 0.000 1.064 1084 M CA 1.847 57.144 55.300 -0.006 0.000 1.102 1084 M CB -1.197 31.402 32.600 -0.001 0.000 1.369 1084 M HN 0.304 nan 8.290 nan 0.000 0.408 1085 L N -0.620 120.608 121.223 0.008 0.000 2.017 1085 L HA -0.258 4.081 4.340 -0.001 0.000 0.208 1085 L C 2.697 179.566 176.870 -0.002 0.000 1.073 1085 L CA 1.177 56.023 54.840 0.010 0.000 0.745 1085 L CB -0.634 41.446 42.059 0.036 0.000 0.894 1085 L HN 0.342 nan 8.230 nan 0.000 0.432 1086 C N -0.407 118.887 119.300 -0.009 0.000 2.429 1086 C HA -0.140 4.319 4.460 -0.001 0.000 0.277 1086 C C 2.711 177.693 174.990 -0.013 0.000 1.262 1086 C CA 0.389 59.398 59.018 -0.016 0.000 1.733 1086 C CB -0.845 26.881 27.740 -0.024 0.000 2.010 1086 C HN 0.422 nan 8.230 nan 0.000 0.483 1087 L N 1.353 122.568 121.223 -0.013 0.000 1.994 1087 L HA -0.156 4.184 4.340 -0.001 0.000 0.208 1087 L C 2.969 179.834 176.870 -0.009 0.000 1.071 1087 L CA 1.670 56.504 54.840 -0.010 0.000 0.745 1087 L CB -1.023 41.028 42.059 -0.014 0.000 0.892 1087 L HN 0.318 nan 8.230 nan 0.000 0.431 1088 A N 0.223 123.037 122.820 -0.009 0.000 1.958 1088 A HA -0.252 4.068 4.320 -0.001 0.000 0.221 1088 A C 2.292 179.870 177.584 -0.010 0.000 1.178 1088 A CA 2.124 54.156 52.037 -0.008 0.000 0.642 1088 A CB -0.703 18.293 19.000 -0.007 0.000 0.816 1088 A HN 0.457 nan 8.150 nan 0.000 0.453 1089 A N -2.224 120.588 122.820 -0.012 0.000 2.251 1089 A HA 0.434 4.753 4.320 -0.001 0.000 0.209 1089 A C 1.690 179.265 177.584 -0.015 0.000 1.187 1089 A CA 1.108 53.135 52.037 -0.015 0.000 0.823 1089 A CB -0.865 18.122 19.000 -0.021 0.000 0.846 1089 A HN 2.002 nan 8.150 nan 0.000 0.486 1090 G N -0.729 108.064 108.800 -0.011 0.000 2.132 1090 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.228 1090 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.228 1090 G C 0.039 174.932 174.900 -0.012 0.000 1.000 1090 G CA 0.418 45.511 45.100 -0.010 0.000 0.693 1090 G HN 0.480 nan 8.290 nan 0.000 0.515 1091 K N 0.584 120.977 120.400 -0.012 0.000 2.144 1091 K HA 0.749 5.068 4.320 -0.001 0.000 0.270 1091 K C 0.841 177.442 176.600 0.000 0.000 1.005 1091 K CA 0.494 56.771 56.287 -0.016 0.000 0.932 1091 K CB 1.259 33.749 32.500 -0.016 0.000 1.021 1091 K HN 0.660 nan 8.250 nan 0.000 0.462 1092 A N 1.766 124.584 122.820 -0.003 0.000 2.386 1092 A HA 0.434 4.753 4.320 -0.001 0.000 0.248 1092 A C -0.675 176.954 177.584 0.075 0.000 1.082 1092 A CA -0.409 51.671 52.037 0.072 0.000 0.789 1092 A CB 0.442 19.470 19.000 0.047 0.000 1.025 1092 A HN 0.406 nan 8.150 nan 0.000 0.490 1093 V N 2.389 122.388 119.914 0.142 0.000 2.577 1093 V HA 0.419 4.539 4.120 -0.001 0.000 0.303 1093 V C -0.838 175.348 176.094 0.153 0.000 1.042 1093 V CA -0.461 61.895 62.300 0.093 0.000 0.872 1093 V CB 1.445 33.270 31.823 0.004 0.000 0.998 1093 V HN 0.827 nan 8.190 nan 0.000 0.423 1094 L N 5.739 127.083 121.223 0.201 0.000 2.298 1094 L HA 0.725 5.064 4.340 -0.001 0.000 0.284 1094 L C -0.526 176.325 176.870 -0.032 0.000 1.013 1094 L CA 0.102 55.070 54.840 0.214 0.000 0.824 1094 L CB 1.090 43.429 42.059 0.466 0.000 1.221 1094 L HN 0.841 nan 8.230 nan 0.000 0.418 1095 C N 5.354 124.573 119.300 -0.134 0.000 2.322 1095 C HA 0.559 5.018 4.460 -0.001 0.000 0.324 1095 C C 0.360 175.109 174.990 -0.401 0.000 1.284 1095 C CA -0.645 58.168 59.018 -0.343 0.000 1.606 1095 C CB 0.611 28.189 27.740 -0.270 0.000 2.251 1095 C HN 0.874 nan 8.230 nan 0.000 0.502 1096 E N 3.288 123.103 120.200 -0.642 0.000 2.425 1096 E HA 0.072 4.421 4.350 -0.001 0.000 0.258 1096 E C -0.039 176.368 176.600 -0.321 0.000 1.151 1096 E CA 0.281 56.403 56.400 -0.464 0.000 0.958 1096 E CB 0.623 30.062 29.700 -0.435 0.000 0.968 1096 E HN 0.761 nan 8.360 nan 0.000 0.451 1097 K N 1.942 122.279 120.400 -0.104 0.000 2.144 1097 K HA 0.363 4.682 4.320 -0.001 0.000 0.270 1097 K C -2.478 174.093 176.600 -0.048 0.000 1.005 1097 K CA -1.648 54.600 56.287 -0.066 0.000 0.932 1097 K CB 0.901 33.344 32.500 -0.094 0.000 1.021 1097 K HN 0.064 nan 8.250 nan 0.000 0.462 1098 P HA -0.007 nan 4.420 nan 0.000 0.275 1098 P C 0.795 178.091 177.300 -0.006 0.000 1.228 1098 P CA -0.358 62.647 63.100 -0.159 0.000 0.786 1098 P CB 0.825 32.374 31.700 -0.252 0.000 0.927 1099 M N 1.292 120.887 119.600 -0.009 0.000 2.088 1099 M HA -0.100 4.379 4.480 -0.001 0.000 0.256 1099 M C 0.809 177.193 176.300 0.141 0.000 1.071 1099 M CA 2.422 57.746 55.300 0.041 0.000 1.097 1099 M CB -0.508 32.076 32.600 -0.026 0.000 1.315 1099 M HN 0.570 nan 8.290 nan 0.000 0.406 1100 G N -2.070 106.733 108.800 0.004 0.000 2.733 1100 G HA2 0.435 4.395 3.960 -0.001 0.000 0.288 1100 G HA3 0.435 4.395 3.960 -0.001 0.000 0.288 1100 G C 0.042 174.866 174.900 -0.127 0.000 1.373 1100 G CA -0.091 44.979 45.100 -0.050 0.000 0.895 1100 G HN 0.244 nan 8.290 nan 0.000 0.479 1101 V N -1.797 118.026 119.914 -0.153 0.000 2.951 1101 V HA 0.235 4.354 4.120 -0.001 0.000 0.255 1101 V C 0.517 176.589 176.094 -0.036 0.000 1.088 1101 V CA 1.398 63.595 62.300 -0.171 0.000 1.109 1101 V CB -1.152 30.487 31.823 -0.307 0.000 0.724 1101 V HN 0.795 nan 8.190 nan 0.000 0.471 1102 N N -1.353 117.338 118.700 -0.016 0.000 2.902 1102 N HA 0.664 5.404 4.740 -0.001 0.000 0.268 1102 N C 0.571 176.083 175.510 0.003 0.000 1.450 1102 N CA -0.162 52.900 53.050 0.021 0.000 0.819 1102 N CB 1.032 39.548 38.487 0.048 0.000 1.540 1102 N HN 0.071 nan 8.380 nan 0.000 0.545 1103 A N -0.563 122.263 122.820 0.010 0.000 2.019 1103 A HA 0.126 4.446 4.320 -0.001 0.000 0.219 1103 A C 1.970 179.553 177.584 -0.002 0.000 1.164 1103 A CA 1.998 54.037 52.037 0.003 0.000 0.644 1103 A CB -1.421 17.583 19.000 0.007 0.000 0.805 1103 A HN 0.833 nan 8.150 nan 0.000 0.449 1104 A N -0.309 122.512 122.820 0.001 0.000 1.930 1104 A HA -0.072 4.247 4.320 -0.001 0.000 0.215 1104 A C 1.886 179.466 177.584 -0.007 0.000 1.176 1104 A CA 1.303 53.339 52.037 -0.002 0.000 0.632 1104 A CB -0.396 18.606 19.000 0.002 0.000 0.819 1104 A HN 0.595 nan 8.150 nan 0.000 0.445 1105 E N -0.150 120.043 120.200 -0.011 0.000 2.110 1105 E HA -0.136 4.213 4.350 -0.001 0.000 0.193 1105 E C 1.993 178.583 176.600 -0.017 0.000 0.988 1105 E CA 1.375 57.765 56.400 -0.017 0.000 0.804 1105 E CB -0.250 29.433 29.700 -0.028 0.000 0.745 1105 E HN 0.432 nan 8.360 nan 0.000 0.458 1106 V N 0.873 120.777 119.914 -0.017 0.000 2.270 1106 V HA -0.256 3.864 4.120 -0.001 0.000 0.245 1106 V C 2.351 178.434 176.094 -0.019 0.000 1.043 1106 V CA 1.865 64.153 62.300 -0.019 0.000 1.014 1106 V CB -0.497 31.314 31.823 -0.020 0.000 0.645 1106 V HN 0.135 nan 8.190 nan 0.000 0.447 1107 R N -0.057 120.435 120.500 -0.014 0.000 2.119 1107 R HA -0.263 4.076 4.340 -0.001 0.000 0.246 1107 R C 2.420 178.711 176.300 -0.014 0.000 1.146 1107 R CA 2.306 58.399 56.100 -0.013 0.000 0.962 1107 R CB -0.332 29.963 30.300 -0.008 0.000 0.863 1107 R HN 0.726 nan 8.270 nan 0.000 0.442 1108 E N -0.286 119.906 120.200 -0.013 0.000 2.072 1108 E HA -0.197 4.152 4.350 -0.001 0.000 0.190 1108 E C 1.895 178.485 176.600 -0.017 0.000 0.982 1108 E CA 1.162 57.554 56.400 -0.013 0.000 0.803 1108 E CB 0.002 29.695 29.700 -0.010 0.000 0.755 1108 E HN 0.347 nan 8.360 nan 0.000 0.453 1109 M N 0.270 119.858 119.600 -0.020 0.000 2.117 1109 M HA -0.156 4.323 4.480 -0.001 0.000 0.262 1109 M C 2.344 178.624 176.300 -0.034 0.000 1.065 1109 M CA 1.132 56.416 55.300 -0.027 0.000 1.114 1109 M CB -0.048 32.533 32.600 -0.032 0.000 1.361 1109 M HN 0.062 nan 8.290 nan 0.000 0.408 1110 V N -0.137 119.757 119.914 -0.034 0.000 2.427 1110 V HA -0.225 3.894 4.120 -0.001 0.000 0.248 1110 V C 2.285 178.361 176.094 -0.030 0.000 1.051 1110 V CA 2.127 64.404 62.300 -0.039 0.000 1.048 1110 V CB -0.920 30.883 31.823 -0.035 0.000 0.666 1110 V HN 0.507 nan 8.190 nan 0.000 0.456 1111 T N -0.514 114.027 114.554 -0.021 0.000 2.821 1111 T HA -0.200 4.149 4.350 -0.001 0.000 0.267 1111 T C 1.884 176.575 174.700 -0.015 0.000 1.046 1111 T CA 1.718 63.809 62.100 -0.016 0.000 1.139 1111 T CB -0.129 68.732 68.868 -0.012 0.000 0.871 1111 T HN 0.548 nan 8.240 nan 0.000 0.454 1112 E N 1.668 121.858 120.200 -0.017 0.000 2.031 1112 E HA -0.068 4.281 4.350 -0.001 0.000 0.193 1112 E C 2.282 178.872 176.600 -0.017 0.000 0.994 1112 E CA 1.458 57.849 56.400 -0.015 0.000 0.800 1112 E CB -0.591 29.100 29.700 -0.015 0.000 0.752 1112 E HN 0.396 nan 8.360 nan 0.000 0.447 1113 A N 0.640 123.445 122.820 -0.025 0.000 1.908 1113 A HA -0.228 4.091 4.320 -0.001 0.000 0.218 1113 A C 2.292 179.864 177.584 -0.020 0.000 1.181 1113 A CA 1.944 53.964 52.037 -0.028 0.000 0.627 1113 A CB -0.613 18.355 19.000 -0.054 0.000 0.818 1113 A HN 0.234 nan 8.150 nan 0.000 0.445 1114 R N -0.269 120.219 120.500 -0.021 0.000 2.096 1114 R HA -0.109 4.231 4.340 -0.001 0.000 0.235 1114 R C 2.617 178.913 176.300 -0.006 0.000 1.127 1114 R CA 1.670 57.761 56.100 -0.014 0.000 0.968 1114 R CB -0.227 30.065 30.300 -0.014 0.000 0.861 1114 R HN 0.725 nan 8.270 nan 0.000 0.440 1115 S N -0.110 115.585 115.700 -0.007 0.000 2.446 1115 S HA 0.030 4.499 4.470 -0.001 0.000 0.225 1115 S C 1.565 176.164 174.600 -0.003 0.000 1.016 1115 S CA 0.193 58.390 58.200 -0.004 0.000 0.943 1115 S CB 0.251 63.447 63.200 -0.005 0.000 0.786 1115 S HN 0.116 nan 8.310 nan 0.000 0.508 1116 R N 1.160 121.658 120.500 -0.003 0.000 2.310 1116 R HA 0.289 4.628 4.340 -0.001 0.000 0.202 1116 R C 1.488 177.790 176.300 0.004 0.000 0.933 1116 R CA 0.449 56.549 56.100 -0.001 0.000 1.054 1116 R CB -1.299 28.999 30.300 -0.002 0.000 0.985 1116 R HN 0.619 nan 8.270 nan 0.000 0.489 1117 G N 1.741 110.544 108.800 0.006 0.000 2.273 1117 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.280 1117 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.280 1117 G C -0.180 174.735 174.900 0.026 0.000 1.047 1117 G CA 0.255 45.363 45.100 0.014 0.000 0.869 1117 G HN 0.236 nan 8.290 nan 0.000 0.502 1118 L N -1.056 120.183 121.223 0.026 0.000 2.346 1118 L HA 0.679 5.018 4.340 -0.001 0.000 0.274 1118 L C 0.532 177.449 176.870 0.079 0.000 1.007 1118 L CA -1.475 53.395 54.840 0.051 0.000 0.818 1118 L CB 1.627 43.704 42.059 0.030 0.000 1.284 1118 L HN 0.136 nan 8.230 nan 0.000 0.424 1119 F N 3.452 123.386 119.950 -0.026 0.000 2.538 1119 F HA 0.392 4.919 4.527 -0.000 0.000 0.371 1119 F C -0.550 175.244 175.800 -0.010 0.000 1.087 1119 F CA 0.014 58.004 58.000 -0.016 0.000 1.250 1119 F CB 0.673 39.654 39.000 -0.031 0.000 1.110 1119 F HN 0.260 nan 8.300 nan 0.000 0.570 1120 L N 8.446 129.263 121.223 -0.677 0.000 2.436 1120 L HA 0.616 4.955 4.340 -0.001 0.000 0.268 1120 L C -1.588 174.857 176.870 -0.708 0.000 0.974 1120 L CA -0.676 53.886 54.840 -0.464 0.000 0.826 1120 L CB 1.827 43.748 42.059 -0.230 0.000 1.291 1120 L HN 0.826 nan 8.230 nan 0.000 0.406 1121 M N 3.367 122.741 119.600 -0.377 0.000 2.433 1121 M HA 0.443 4.922 4.480 -0.001 0.000 0.290 1121 M C -1.420 174.871 176.300 -0.016 0.000 1.173 1121 M CA -0.495 54.699 55.300 -0.176 0.000 0.905 1121 M CB 2.173 34.790 32.600 0.030 0.000 1.692 1121 M HN 0.799 nan 8.290 nan 0.000 0.462 1122 E N 2.512 122.721 120.200 0.015 0.000 2.259 1122 E HA 0.494 4.844 4.350 -0.001 0.000 0.281 1122 E C -0.526 176.144 176.600 0.116 0.000 1.027 1122 E CA -0.178 56.235 56.400 0.020 0.000 0.838 1122 E CB 1.381 31.084 29.700 0.004 0.000 1.066 1122 E HN 0.736 nan 8.360 nan 0.000 0.401 1123 A N 6.643 129.514 122.820 0.085 0.000 3.077 1123 A HA 0.193 4.512 4.320 -0.001 0.000 0.255 1123 A C 0.103 177.861 177.584 0.290 0.000 1.728 1123 A CA -0.284 51.863 52.037 0.184 0.000 1.383 1123 A CB -0.750 18.292 19.000 0.070 0.000 1.097 1123 A HN 0.639 nan 8.150 nan 0.000 0.634 1124 I N 2.281 123.051 120.570 0.334 0.000 2.278 1124 I HA -0.021 4.149 4.170 -0.001 0.000 0.300 1124 I C 1.281 177.735 176.117 0.563 0.000 1.174 1124 I CA -0.472 61.043 61.300 0.358 0.000 1.347 1124 I CB 0.171 38.268 38.000 0.162 0.000 1.473 1124 I HN 0.864 nan 8.210 nan 0.000 0.595 1125 W N 3.857 125.398 121.300 0.401 0.000 2.425 1125 W HA -0.076 4.583 4.660 -0.002 0.000 0.277 1125 W C 1.447 178.337 176.519 0.620 0.000 1.231 1125 W CA 0.638 58.326 57.345 0.571 0.000 1.248 1125 W CB -1.879 27.898 29.460 0.527 0.000 1.117 1125 W HN 0.302 nan 8.180 nan 0.000 0.568 1126 T N 1.792 116.370 114.554 0.041 0.000 2.849 1126 T HA -0.185 4.164 4.350 -0.001 0.000 0.270 1126 T C 1.883 176.521 174.700 -0.104 0.000 1.066 1126 T CA 1.831 63.755 62.100 -0.292 0.000 1.130 1126 T CB -0.256 68.502 68.868 -0.183 0.000 0.864 1126 T HN 0.141 nan 8.240 nan 0.000 0.481 1127 R N 0.081 120.488 120.500 -0.154 0.000 2.148 1127 R HA 0.062 4.401 4.340 -0.001 0.000 0.223 1127 R C 1.456 177.409 176.300 -0.578 0.000 1.088 1127 R CA 0.838 56.660 56.100 -0.464 0.000 0.985 1127 R CB -0.328 29.494 30.300 -0.798 0.000 0.880 1127 R HN 0.472 nan 8.270 nan 0.000 0.451 1128 F N -0.788 119.209 119.950 0.079 0.000 2.765 1128 F HA 0.182 4.708 4.527 -0.002 0.000 0.302 1128 F C 0.653 176.357 175.800 -0.160 0.000 1.111 1128 F CA -0.519 57.486 58.000 0.009 0.000 1.359 1128 F CB -0.262 38.808 39.000 0.117 0.000 1.097 1128 F HN -0.212 nan 8.300 nan 0.000 0.577 1129 F N 2.304 122.091 119.950 -0.272 0.000 2.572 1129 F HA 0.075 4.601 4.527 -0.001 0.000 0.370 1129 F C -1.049 174.364 175.800 -0.645 0.000 1.103 1129 F CA -1.705 55.953 58.000 -0.570 0.000 1.286 1129 F CB 0.225 38.968 39.000 -0.429 0.000 1.105 1129 F HN -0.175 nan 8.300 nan 0.000 0.583 1130 P HA -0.297 nan 4.420 nan 0.000 0.217 1130 P C 1.272 177.978 177.300 -0.990 0.000 1.151 1130 P CA 2.249 64.940 63.100 -0.681 0.000 0.849 1130 P CB 0.024 31.406 31.700 -0.529 0.000 0.787 1131 A N -1.066 121.178 122.820 -0.960 0.000 1.972 1131 A HA -0.176 4.143 4.320 -0.001 0.000 0.219 1131 A C 2.357 179.670 177.584 -0.452 0.000 1.169 1131 A CA 2.113 53.644 52.037 -0.845 0.000 0.635 1131 A CB -1.420 17.371 19.000 -0.348 0.000 0.810 1131 A HN 0.141 nan 8.150 nan 0.000 0.446 1132 S N -0.978 114.522 115.700 -0.333 0.000 2.387 1132 S HA -0.101 4.369 4.470 -0.001 0.000 0.226 1132 S C 1.893 176.348 174.600 -0.242 0.000 1.026 1132 S CA 1.302 59.358 58.200 -0.240 0.000 0.972 1132 S CB -0.150 62.921 63.200 -0.214 0.000 0.814 1132 S HN 0.719 nan 8.310 nan 0.000 0.477 1133 E N 1.217 121.250 120.200 -0.279 0.000 2.077 1133 E HA -0.072 4.277 4.350 -0.001 0.000 0.193 1133 E C 2.158 178.641 176.600 -0.194 0.000 0.989 1133 E CA 1.014 57.283 56.400 -0.218 0.000 0.800 1133 E CB -0.217 29.359 29.700 -0.207 0.000 0.746 1133 E HN 0.468 nan 8.360 nan 0.000 0.452 1134 A N 0.588 123.245 122.820 -0.271 0.000 1.933 1134 A HA -0.171 4.148 4.320 -0.001 0.000 0.218 1134 A C 2.114 179.634 177.584 -0.107 0.000 1.175 1134 A CA 1.240 53.182 52.037 -0.158 0.000 0.628 1134 A CB -0.646 18.269 19.000 -0.143 0.000 0.814 1134 A HN 0.344 nan 8.150 nan 0.000 0.444 1135 L N 0.179 121.319 121.223 -0.138 0.000 2.012 1135 L HA -0.186 4.153 4.340 -0.001 0.000 0.210 1135 L C 2.456 179.258 176.870 -0.114 0.000 1.073 1135 L CA 2.121 56.900 54.840 -0.102 0.000 0.748 1135 L CB -0.603 41.404 42.059 -0.087 0.000 0.891 1135 L HN 0.372 nan 8.230 nan 0.000 0.431 1136 R N -0.906 119.512 120.500 -0.137 0.000 2.117 1136 R HA -0.185 4.154 4.340 -0.001 0.000 0.243 1136 R C 2.518 178.766 176.300 -0.086 0.000 1.143 1136 R CA 1.542 57.566 56.100 -0.126 0.000 0.968 1136 R CB -0.846 29.377 30.300 -0.128 0.000 0.863 1136 R HN 0.556 nan 8.270 nan 0.000 0.444 1137 S N 0.436 116.094 115.700 -0.071 0.000 2.368 1137 S HA -0.089 4.381 4.470 -0.001 0.000 0.224 1137 S C 2.083 176.663 174.600 -0.034 0.000 1.029 1137 S CA 1.113 59.288 58.200 -0.042 0.000 0.988 1137 S CB -0.097 63.087 63.200 -0.026 0.000 0.838 1137 S HN 0.124 nan 8.310 nan 0.000 0.462 1138 V N 2.171 122.063 119.914 -0.037 0.000 2.332 1138 V HA -0.154 3.966 4.120 -0.001 0.000 0.248 1138 V C 2.452 178.523 176.094 -0.039 0.000 1.055 1138 V CA 1.929 64.211 62.300 -0.029 0.000 1.038 1138 V CB -0.701 31.105 31.823 -0.027 0.000 0.651 1138 V HN 0.487 nan 8.190 nan 0.000 0.450 1139 L N -0.004 121.182 121.223 -0.062 0.000 2.017 1139 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 1139 L C 2.762 179.605 176.870 -0.045 0.000 1.073 1139 L CA 1.677 56.477 54.840 -0.067 0.000 0.745 1139 L CB -0.899 41.094 42.059 -0.110 0.000 0.894 1139 L HN 0.355 nan 8.230 nan 0.000 0.432 1140 A N -0.597 122.197 122.820 -0.043 0.000 1.940 1140 A HA -0.285 4.034 4.320 -0.001 0.000 0.219 1140 A C 2.180 179.755 177.584 -0.016 0.000 1.176 1140 A CA 1.828 53.849 52.037 -0.027 0.000 0.631 1140 A CB -0.481 18.504 19.000 -0.025 0.000 0.814 1140 A HN 0.435 nan 8.150 nan 0.000 0.446 1141 Q N -1.834 117.956 119.800 -0.016 0.000 2.451 1141 Q HA 0.268 4.607 4.340 -0.001 0.000 0.206 1141 Q C 1.119 177.115 176.000 -0.007 0.000 0.947 1141 Q CA 0.804 56.602 55.803 -0.008 0.000 0.937 1141 Q CB -0.038 28.697 28.738 -0.006 0.000 1.025 1141 Q HN 0.905 nan 8.270 nan 0.000 0.511 1142 G N -0.685 108.109 108.800 -0.011 0.000 2.153 1142 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.252 1142 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.252 1142 G C 0.802 175.698 174.900 -0.007 0.000 0.994 1142 G CA 0.687 45.783 45.100 -0.007 0.000 0.698 1142 G HN 0.409 nan 8.290 nan 0.000 0.521 1143 T N 0.508 115.056 114.554 -0.009 0.000 2.803 1143 T HA -0.072 4.277 4.350 -0.001 0.000 0.269 1143 T C 2.224 176.919 174.700 -0.007 0.000 1.052 1143 T CA 1.409 63.505 62.100 -0.007 0.000 1.136 1143 T CB -0.118 68.746 68.868 -0.007 0.000 0.864 1143 T HN 0.468 nan 8.240 nan 0.000 0.467 1144 L N 0.481 121.698 121.223 -0.011 0.000 2.612 1144 L HA 0.307 4.646 4.340 -0.001 0.000 0.230 1144 L C 1.580 178.448 176.870 -0.002 0.000 1.140 1144 L CA -0.207 54.627 54.840 -0.009 0.000 0.896 1144 L CB -1.229 40.821 42.059 -0.015 0.000 1.065 1144 L HN 0.432 nan 8.230 nan 0.000 0.447 1145 G N 0.579 109.379 108.800 -0.001 0.000 2.642 1145 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.231 1145 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.231 1145 G C -0.702 174.202 174.900 0.007 0.000 1.338 1145 G CA -0.591 44.511 45.100 0.003 0.000 0.883 1145 G HN 0.233 nan 8.290 nan 0.000 0.570 1146 D N 0.766 121.172 120.400 0.010 0.000 2.389 1146 D HA 0.397 5.036 4.640 -0.001 0.000 0.247 1146 D C 1.274 177.587 176.300 0.022 0.000 1.128 1146 D CA -0.013 53.996 54.000 0.015 0.000 0.884 1146 D CB 0.830 41.637 40.800 0.012 0.000 1.194 1146 D HN 0.497 nan 8.370 nan 0.000 0.441 1147 L N 2.076 123.322 121.223 0.039 0.000 2.476 1147 L HA 0.134 4.473 4.340 -0.001 0.000 0.264 1147 L C 1.808 178.708 176.870 0.050 0.000 1.224 1147 L CA -0.198 54.683 54.840 0.068 0.000 0.821 1147 L CB 0.612 42.763 42.059 0.153 0.000 1.101 1147 L HN 0.285 nan 8.230 nan 0.000 0.488 1148 R N 0.391 120.922 120.500 0.052 0.000 2.840 1148 R HA 0.367 4.706 4.340 -0.001 0.000 0.173 1148 R C -0.820 175.431 176.300 -0.082 0.000 0.791 1148 R CA 0.271 56.367 56.100 -0.007 0.000 1.069 1148 R CB 0.978 31.276 30.300 -0.003 0.000 1.537 1148 R HN 0.413 nan 8.270 nan 0.000 0.609 1149 V N 0.599 120.505 119.914 -0.014 0.000 2.969 1149 V HA 0.773 4.892 4.120 -0.001 0.000 0.304 1149 V C -1.782 174.355 176.094 0.072 0.000 1.192 1149 V CA -0.623 61.627 62.300 -0.082 0.000 0.962 1149 V CB 2.007 33.697 31.823 -0.222 0.000 1.045 1149 V HN 0.334 nan 8.190 nan 0.000 0.428 1150 A N 5.224 128.124 122.820 0.133 0.000 2.354 1150 A HA 1.051 5.370 4.320 -0.001 0.000 0.321 1150 A C -0.669 177.016 177.584 0.169 0.000 1.125 1150 A CA -0.804 51.270 52.037 0.062 0.000 0.799 1150 A CB 1.934 20.806 19.000 -0.213 0.000 1.293 1150 A HN 1.123 nan 8.150 nan 0.000 0.452 1151 R N -0.219 120.401 120.500 0.201 0.000 2.626 1151 R HA 0.741 5.080 4.340 -0.001 0.000 0.274 1151 R C -1.403 174.955 176.300 0.097 0.000 1.031 1151 R CA 0.496 56.698 56.100 0.169 0.000 0.898 1151 R CB 1.759 32.121 30.300 0.103 0.000 1.222 1151 R HN 1.673 nan 8.270 nan 0.000 0.455 1152 A N 2.978 125.869 122.820 0.118 0.000 2.574 1152 A HA 0.683 5.002 4.320 -0.001 0.000 0.297 1152 A C -1.685 175.968 177.584 0.116 0.000 1.062 1152 A CA -0.705 51.318 52.037 -0.024 0.000 0.686 1152 A CB 1.518 20.478 19.000 -0.066 0.000 1.285 1152 A HN 0.835 nan 8.150 nan 0.000 0.403 1153 E N 0.782 121.020 120.200 0.062 0.000 2.366 1153 E HA 0.692 5.041 4.350 -0.001 0.000 0.278 1153 E C -1.792 174.930 176.600 0.204 0.000 0.923 1153 E CA -0.681 55.816 56.400 0.161 0.000 0.761 1153 E CB 2.249 32.031 29.700 0.137 0.000 1.231 1153 E HN 0.680 nan 8.360 nan 0.000 0.443 1154 F N 1.405 121.378 119.950 0.039 0.000 2.831 1154 F HA 0.584 5.110 4.527 -0.001 0.000 0.346 1154 F C -1.155 174.627 175.800 -0.030 0.000 1.224 1154 F CA -0.452 57.534 58.000 -0.025 0.000 1.048 1154 F CB 1.639 40.595 39.000 -0.075 0.000 1.339 1154 F HN 0.790 nan 8.300 nan 0.000 0.514 1155 G N 4.957 113.912 108.800 0.259 0.000 2.696 1155 G HA2 0.625 4.584 3.960 -0.001 0.000 0.295 1155 G HA3 0.625 4.584 3.960 -0.001 0.000 0.295 1155 G C -2.262 172.671 174.900 0.056 0.000 1.398 1155 G CA -0.738 44.381 45.100 0.032 0.000 0.920 1155 G HN 0.530 nan 8.290 nan 0.000 0.492 1156 K N 0.186 120.557 120.400 -0.047 0.000 2.555 1156 K HA 0.281 4.600 4.320 -0.001 0.000 0.279 1156 K C -1.095 175.478 176.600 -0.045 0.000 0.986 1156 K CA -1.071 55.209 56.287 -0.012 0.000 0.880 1156 K CB 2.323 34.806 32.500 -0.028 0.000 1.474 1156 K HN 0.439 nan 8.250 nan 0.000 0.433 1157 N N 2.697 121.387 118.700 -0.017 0.000 2.402 1157 N HA 0.109 4.848 4.740 -0.001 0.000 0.252 1157 N C -0.369 175.104 175.510 -0.061 0.000 1.118 1157 N CA 0.181 53.204 53.050 -0.045 0.000 0.945 1157 N CB 0.336 38.812 38.487 -0.018 0.000 1.147 1157 N HN 0.502 nan 8.380 nan 0.000 0.495 1158 L N 2.902 124.059 121.223 -0.111 0.000 2.965 1158 L HA 0.100 4.439 4.340 -0.001 0.000 0.254 1158 L C 1.758 178.553 176.870 -0.125 0.000 1.220 1158 L CA -0.012 54.772 54.840 -0.093 0.000 1.023 1158 L CB 0.079 42.071 42.059 -0.111 0.000 1.355 1158 L HN 0.503 nan 8.230 nan 0.000 0.545 1159 T N -5.205 109.225 114.554 -0.206 0.000 3.072 1159 T HA -0.113 4.237 4.350 -0.001 0.000 0.266 1159 T C 1.154 175.695 174.700 -0.264 0.000 1.127 1159 T CA 0.947 62.885 62.100 -0.270 0.000 1.107 1159 T CB -0.350 68.328 68.868 -0.317 0.000 0.910 1159 T HN 0.439 nan 8.240 nan 0.000 0.513 1160 H N -0.307 118.774 119.070 0.018 0.000 2.594 1160 H HA 0.452 5.008 4.556 -0.001 0.000 0.279 1160 H C -0.236 175.108 175.328 0.027 0.000 1.042 1160 H CA -0.593 55.472 56.048 0.029 0.000 1.177 1160 H CB 0.684 30.465 29.762 0.032 0.000 1.524 1160 H HN 0.209 nan 8.280 nan 0.000 0.537 1161 V N 4.215 124.184 119.914 0.091 0.000 2.408 1161 V HA 0.028 4.147 4.120 -0.001 0.000 0.267 1161 V C -1.174 174.950 176.094 0.050 0.000 1.047 1161 V CA -1.144 61.198 62.300 0.071 0.000 0.937 1161 V CB 1.516 33.371 31.823 0.054 0.000 0.999 1161 V HN 0.232 nan 8.190 nan 0.000 0.472 1162 P HA -0.105 nan 4.420 nan 0.000 0.214 1162 P C 1.281 178.597 177.300 0.026 0.000 1.162 1162 P CA 1.015 64.146 63.100 0.051 0.000 0.879 1162 P CB 0.410 32.140 31.700 0.050 0.000 0.786 1163 R N -0.268 120.235 120.500 0.005 0.000 2.276 1163 R HA 0.171 4.510 4.340 -0.001 0.000 0.203 1163 R C 2.314 178.578 176.300 -0.059 0.000 1.017 1163 R CA 0.925 57.003 56.100 -0.037 0.000 1.010 1163 R CB -1.366 28.892 30.300 -0.070 0.000 0.900 1163 R HN 0.143 nan 8.270 nan 0.000 0.469 1164 A N 0.189 122.986 122.820 -0.039 0.000 2.067 1164 A HA -0.060 4.259 4.320 -0.001 0.000 0.219 1164 A C 1.491 179.048 177.584 -0.044 0.000 1.158 1164 A CA 1.452 53.456 52.037 -0.056 0.000 0.661 1164 A CB -0.082 18.881 19.000 -0.061 0.000 0.801 1164 A HN 0.177 nan 8.150 nan 0.000 0.452 1165 V N -3.685 116.219 119.914 -0.017 0.000 3.085 1165 V HA 0.294 4.413 4.120 -0.001 0.000 0.345 1165 V C -0.340 175.819 176.094 0.108 0.000 1.397 1165 V CA -0.482 61.826 62.300 0.013 0.000 1.165 1165 V CB -0.060 31.738 31.823 -0.042 0.000 1.153 1165 V HN 0.267 nan 8.190 nan 0.000 0.495 1166 D N 0.334 120.788 120.400 0.090 0.000 2.313 1166 D HA 0.132 4.771 4.640 -0.001 0.000 0.239 1166 D C 0.179 176.593 176.300 0.190 0.000 1.142 1166 D CA -0.401 53.675 54.000 0.127 0.000 0.847 1166 D CB 1.560 42.384 40.800 0.041 0.000 1.082 1166 D HN 0.541 nan 8.370 nan 0.000 0.480 1167 W N 4.448 125.807 121.300 0.098 0.000 2.358 1167 W HA -0.166 4.493 4.660 -0.003 0.000 0.303 1167 W C 1.854 178.441 176.519 0.113 0.000 1.208 1167 W CA 1.649 59.095 57.345 0.169 0.000 1.274 1167 W CB 0.009 29.558 29.460 0.148 0.000 1.138 1167 W HN 0.528 nan 8.180 nan 0.000 0.515 1168 A N -0.482 122.397 122.820 0.097 0.000 2.015 1168 A HA -0.151 4.169 4.320 -0.001 0.000 0.219 1168 A C 1.740 179.167 177.584 -0.262 0.000 1.163 1168 A CA 1.250 53.193 52.037 -0.157 0.000 0.646 1168 A CB -0.475 18.572 19.000 0.078 0.000 0.806 1168 A HN 0.389 nan 8.150 nan 0.000 0.448 1169 Q N -1.130 118.553 119.800 -0.195 0.000 2.222 1169 Q HA 0.393 4.732 4.340 -0.001 0.000 0.206 1169 Q C 0.477 176.269 176.000 -0.347 0.000 0.877 1169 Q CA 0.472 56.125 55.803 -0.251 0.000 0.958 1169 Q CB -0.181 28.443 28.738 -0.190 0.000 1.075 1169 Q HN 0.826 nan 8.270 nan 0.000 0.483 1170 A N 0.482 122.999 122.820 -0.505 0.000 2.466 1170 A HA -0.146 4.173 4.320 -0.001 0.000 0.295 1170 A C 0.836 178.292 177.584 -0.214 0.000 1.465 1170 A CA 0.784 52.328 52.037 -0.823 0.000 0.744 1170 A CB -1.788 16.517 19.000 -1.157 0.000 1.098 1170 A HN 0.465 nan 8.150 nan 0.000 0.402 1171 G N -0.900 107.872 108.800 -0.047 0.000 2.574 1171 G HA2 0.913 4.872 3.960 -0.001 0.000 0.248 1171 G HA3 0.913 4.872 3.960 -0.001 0.000 0.248 1171 G C 0.982 175.967 174.900 0.142 0.000 1.422 1171 G CA 0.380 45.505 45.100 0.041 0.000 1.051 1171 G HN 2.649 nan 8.290 nan 0.000 0.560 1172 G N -3.235 105.616 108.800 0.085 0.000 2.555 1172 G HA2 0.400 4.359 3.960 -0.001 0.000 0.686 1172 G HA3 0.400 4.359 3.960 -0.001 0.000 0.686 1172 G C 0.794 175.710 174.900 0.027 0.000 1.275 1172 G CA 0.384 45.535 45.100 0.084 0.000 0.871 1172 G HN 1.640 nan 8.290 nan 0.000 0.603 1173 A N -0.278 122.549 122.820 0.011 0.000 1.902 1173 A HA 0.170 4.490 4.320 -0.001 0.000 0.217 1173 A C 2.641 180.230 177.584 0.008 0.000 1.181 1173 A CA 2.277 54.300 52.037 -0.023 0.000 0.623 1173 A CB -0.381 18.622 19.000 0.005 0.000 0.818 1173 A HN 1.095 nan 8.150 nan 0.000 0.443 1174 L N -1.378 119.885 121.223 0.068 0.000 2.027 1174 L HA -0.131 4.209 4.340 -0.001 0.000 0.206 1174 L C 2.318 179.198 176.870 0.017 0.000 1.074 1174 L CA 0.872 55.763 54.840 0.085 0.000 0.745 1174 L CB -0.373 41.762 42.059 0.126 0.000 0.898 1174 L HN 0.291 nan 8.230 nan 0.000 0.433 1175 L N -0.828 120.408 121.223 0.022 0.000 2.313 1175 L HA -0.109 4.230 4.340 -0.001 0.000 0.214 1175 L C 1.750 178.568 176.870 -0.086 0.000 1.119 1175 L CA 1.274 56.069 54.840 -0.075 0.000 0.809 1175 L CB -0.459 41.544 42.059 -0.095 0.000 0.933 1175 L HN 0.184 nan 8.230 nan 0.000 0.449 1176 D N -1.508 118.884 120.400 -0.014 0.000 2.262 1176 D HA 0.107 4.746 4.640 -0.001 0.000 0.212 1176 D C 2.052 178.294 176.300 -0.098 0.000 0.964 1176 D CA 0.942 54.927 54.000 -0.024 0.000 0.875 1176 D CB 0.480 41.239 40.800 -0.069 0.000 0.996 1176 D HN 0.226 nan 8.370 nan 0.000 0.497 1177 L N -0.852 120.279 121.223 -0.154 0.000 2.694 1177 L HA 0.318 4.657 4.340 -0.001 0.000 0.228 1177 L C 2.225 179.111 176.870 0.027 0.000 1.048 1177 L CA 0.458 55.166 54.840 -0.221 0.000 0.887 1177 L CB -0.096 41.559 42.059 -0.672 0.000 1.265 1177 L HN -0.064 nan 8.230 nan 0.000 0.492 1178 G N 1.868 110.653 108.800 -0.025 0.000 2.443 1178 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.219 1178 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.219 1178 G C 1.524 176.294 174.900 -0.215 0.000 1.131 1178 G CA 0.927 45.971 45.100 -0.094 0.000 0.775 1178 G HN 0.467 nan 8.290 nan 0.000 0.547 1179 I N -2.640 117.843 120.570 -0.145 0.000 2.335 1179 I HA -0.178 3.991 4.170 -0.001 0.000 0.251 1179 I C 2.361 178.371 176.117 -0.178 0.000 1.129 1179 I CA 1.174 62.351 61.300 -0.205 0.000 1.402 1179 I CB -0.530 37.303 38.000 -0.278 0.000 1.069 1179 I HN 0.045 nan 8.210 nan 0.000 0.424 1180 Y N 1.177 121.478 120.300 0.003 0.000 2.263 1180 Y HA -0.124 4.426 4.550 -0.001 0.000 0.292 1180 Y C 2.874 178.754 175.900 -0.033 0.000 1.130 1180 Y CA 1.325 59.459 58.100 0.057 0.000 1.179 1180 Y CB -0.868 37.716 38.460 0.207 0.000 0.998 1180 Y HN 0.319 nan 8.280 nan 0.000 0.532 1181 C N -1.194 118.095 119.300 -0.018 0.000 2.432 1181 C HA -0.130 4.329 4.460 -0.001 0.000 0.277 1181 C C 2.756 177.583 174.990 -0.272 0.000 1.249 1181 C CA 0.835 59.712 59.018 -0.236 0.000 1.725 1181 C CB -1.197 26.127 27.740 -0.693 0.000 2.028 1181 C HN 0.339 nan 8.230 nan 0.000 0.477 1182 V N 2.174 121.826 119.914 -0.437 0.000 2.343 1182 V HA -0.267 3.852 4.120 -0.001 0.000 0.247 1182 V C 2.698 178.781 176.094 -0.019 0.000 1.051 1182 V CA 2.517 64.713 62.300 -0.172 0.000 1.036 1182 V CB -1.004 30.745 31.823 -0.122 0.000 0.654 1182 V HN 0.718 nan 8.190 nan 0.000 0.451 1183 Q N 0.159 119.946 119.800 -0.022 0.000 2.083 1183 Q HA -0.189 4.151 4.340 -0.001 0.000 0.198 1183 Q C 1.962 177.965 176.000 0.006 0.000 0.969 1183 Q CA 2.149 57.951 55.803 -0.001 0.000 0.838 1183 Q CB -1.039 27.698 28.738 -0.002 0.000 0.900 1183 Q HN 0.516 nan 8.270 nan 0.000 0.436 1184 F N 1.176 121.071 119.950 -0.093 0.000 2.069 1184 F HA -0.118 4.408 4.527 -0.001 0.000 0.298 1184 F C 1.816 177.510 175.800 -0.177 0.000 1.113 1184 F CA 1.555 59.476 58.000 -0.132 0.000 1.214 1184 F CB -0.227 38.702 39.000 -0.118 0.000 0.978 1184 F HN 0.091 nan 8.300 nan 0.000 0.474 1185 I N -0.648 119.882 120.570 -0.067 0.000 2.226 1185 I HA -0.313 3.856 4.170 -0.001 0.000 0.245 1185 I C 2.745 178.648 176.117 -0.358 0.000 1.100 1185 I CA 1.511 62.664 61.300 -0.244 0.000 1.374 1185 I CB -0.732 37.340 38.000 0.121 0.000 1.057 1185 I HN 0.251 nan 8.210 nan 0.000 0.413 1186 S N 0.631 116.267 115.700 -0.108 0.000 2.368 1186 S HA -0.262 4.207 4.470 -0.001 0.000 0.225 1186 S C 2.158 176.652 174.600 -0.177 0.000 1.030 1186 S CA 1.640 59.827 58.200 -0.022 0.000 0.999 1186 S CB -0.261 62.981 63.200 0.071 0.000 0.844 1186 S HN 0.389 nan 8.310 nan 0.000 0.459 1187 M N 1.446 120.879 119.600 -0.280 0.000 2.080 1187 M HA -0.106 4.373 4.480 -0.001 0.000 0.260 1187 M C 2.001 178.043 176.300 -0.431 0.000 1.068 1187 M CA 2.311 57.420 55.300 -0.319 0.000 1.109 1187 M CB -0.349 32.045 32.600 -0.344 0.000 1.342 1187 M HN 0.385 nan 8.290 nan 0.000 0.405 1188 V N -2.332 117.145 119.914 -0.728 0.000 2.809 1188 V HA -0.111 4.008 4.120 -0.001 0.000 0.256 1188 V C 0.975 176.689 176.094 -0.634 0.000 1.080 1188 V CA 1.131 62.956 62.300 -0.790 0.000 1.102 1188 V CB -1.122 30.031 31.823 -1.116 0.000 0.705 1188 V HN 0.404 nan 8.190 nan 0.000 0.475 1189 F N 2.160 121.878 119.950 -0.386 0.000 2.837 1189 F HA 0.720 5.246 4.527 -0.001 0.000 0.298 1189 F C 1.722 177.436 175.800 -0.143 0.000 1.161 1189 F CA -0.929 56.880 58.000 -0.319 0.000 1.353 1189 F CB -0.055 38.565 39.000 -0.633 0.000 0.951 1189 F HN 0.340 nan 8.300 nan 0.000 0.508 1190 G N -0.079 108.719 108.800 -0.003 0.000 2.160 1190 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.251 1190 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.251 1190 G C 1.268 176.197 174.900 0.048 0.000 1.008 1190 G CA 0.253 45.365 45.100 0.020 0.000 0.724 1190 G HN 1.230 nan 8.290 nan 0.000 0.514 1191 G N -1.467 107.364 108.800 0.052 0.000 2.203 1191 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.263 1191 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.263 1191 G C 0.372 175.357 174.900 0.142 0.000 1.012 1191 G CA 1.303 46.452 45.100 0.082 0.000 0.749 1191 G HN 1.127 nan 8.290 nan 0.000 0.512 1192 Q N -0.540 119.398 119.800 0.230 0.000 2.312 1192 Q HA 0.427 4.766 4.340 -0.001 0.000 0.236 1192 Q C 0.517 176.634 176.000 0.194 0.000 0.965 1192 Q CA -0.326 55.599 55.803 0.204 0.000 0.894 1192 Q CB 0.997 29.871 28.738 0.228 0.000 1.225 1192 Q HN 0.353 nan 8.270 nan 0.000 0.478 1193 K N 2.341 122.768 120.400 0.045 0.000 2.258 1193 K HA 0.264 4.583 4.320 -0.001 0.000 0.284 1193 K C -2.417 174.044 176.600 -0.230 0.000 1.051 1193 K CA -1.746 54.511 56.287 -0.051 0.000 0.923 1193 K CB 0.510 32.990 32.500 -0.033 0.000 1.046 1193 K HN 0.216 nan 8.250 nan 0.000 0.474 1194 P HA -0.010 nan 4.420 nan 0.000 0.268 1194 P C -0.399 176.733 177.300 -0.280 0.000 1.208 1194 P CA 0.081 62.824 63.100 -0.595 0.000 0.777 1194 P CB 0.645 32.043 31.700 -0.503 0.000 0.875 1195 E N 0.723 120.783 120.200 -0.233 0.000 2.318 1195 E HA 0.023 4.372 4.350 -0.001 0.000 0.193 1195 E C 0.414 176.956 176.600 -0.098 0.000 0.998 1195 E CA 0.661 56.985 56.400 -0.127 0.000 0.859 1195 E CB 0.253 29.895 29.700 -0.097 0.000 0.812 1195 E HN 0.299 nan 8.360 nan 0.000 0.492 1196 K N 0.424 120.759 120.400 -0.109 0.000 2.589 1196 K HA 0.351 4.671 4.320 -0.001 0.000 0.265 1196 K C -1.970 174.594 176.600 -0.061 0.000 0.935 1196 K CA -0.393 55.851 56.287 -0.071 0.000 0.850 1196 K CB 1.310 33.776 32.500 -0.056 0.000 1.372 1196 K HN -0.118 nan 8.250 nan 0.000 0.420 1197 I N 1.736 122.281 120.570 -0.041 0.000 2.608 1197 I HA 0.374 4.543 4.170 -0.001 0.000 0.295 1197 I C -0.773 175.327 176.117 -0.029 0.000 1.049 1197 I CA -0.647 60.639 61.300 -0.023 0.000 1.063 1197 I CB 2.405 40.400 38.000 -0.009 0.000 1.248 1197 I HN 0.456 nan 8.210 nan 0.000 0.424 1198 S N 3.909 119.587 115.700 -0.037 0.000 2.536 1198 S HA 0.763 5.232 4.470 -0.001 0.000 0.287 1198 S C -0.924 173.637 174.600 -0.066 0.000 1.101 1198 S CA -0.648 57.525 58.200 -0.046 0.000 0.950 1198 S CB 2.478 65.650 63.200 -0.047 0.000 1.056 1198 S HN 0.271 nan 8.310 nan 0.000 0.481 1199 V N 3.329 123.208 119.914 -0.059 0.000 2.841 1199 V HA 0.607 4.726 4.120 -0.001 0.000 0.310 1199 V C -0.800 175.260 176.094 -0.057 0.000 1.090 1199 V CA -0.549 61.708 62.300 -0.073 0.000 0.930 1199 V CB 1.887 33.680 31.823 -0.049 0.000 1.014 1199 V HN 0.881 nan 8.190 nan 0.000 0.425 1200 M N 2.640 122.203 119.600 -0.063 0.000 2.446 1200 M HA 0.868 5.347 4.480 -0.001 0.000 0.294 1200 M C 0.015 176.295 176.300 -0.033 0.000 1.158 1200 M CA -0.275 55.001 55.300 -0.040 0.000 0.899 1200 M CB 2.677 35.256 32.600 -0.035 0.000 1.687 1200 M HN 0.903 nan 8.290 nan 0.000 0.455 1201 G N 1.369 110.159 108.800 -0.016 0.000 2.451 1201 G HA2 0.688 4.647 3.960 -0.001 0.000 0.292 1201 G HA3 0.688 4.647 3.960 -0.001 0.000 0.292 1201 G C -2.165 172.738 174.900 0.006 0.000 1.427 1201 G CA -1.039 44.060 45.100 -0.003 0.000 0.792 1201 G HN 0.828 nan 8.290 nan 0.000 0.498 1202 R N -0.807 119.704 120.500 0.019 0.000 2.892 1202 R HA 0.831 5.170 4.340 -0.001 0.000 0.265 1202 R C -0.312 176.012 176.300 0.040 0.000 1.025 1202 R CA -1.087 55.027 56.100 0.022 0.000 0.982 1202 R CB 1.898 32.211 30.300 0.021 0.000 1.185 1202 R HN 0.487 nan 8.270 nan 0.000 0.484 1203 R N -0.045 120.476 120.500 0.035 0.000 2.549 1203 R HA 0.246 4.585 4.340 -0.001 0.000 0.267 1203 R C -0.606 175.749 176.300 0.091 0.000 1.045 1203 R CA -0.801 55.333 56.100 0.057 0.000 1.115 1203 R CB 0.668 30.984 30.300 0.026 0.000 1.121 1203 R HN 0.575 nan 8.270 nan 0.000 0.543 1204 H N 0.622 119.702 119.070 0.016 0.000 2.529 1204 H HA 0.049 4.604 4.556 -0.002 0.000 0.348 1204 H C 0.591 175.927 175.328 0.013 0.000 1.152 1204 H CA -0.573 55.483 56.048 0.014 0.000 1.202 1204 H CB 1.383 31.158 29.762 0.022 0.000 1.562 1204 H HN 0.635 nan 8.280 nan 0.000 0.515 1205 E N 1.943 121.847 120.200 -0.494 0.000 2.510 1205 E HA -0.125 4.224 4.350 -0.001 0.000 0.202 1205 E C 0.523 177.064 176.600 -0.099 0.000 1.072 1205 E CA 1.167 57.417 56.400 -0.250 0.000 0.883 1205 E CB -0.349 29.198 29.700 -0.254 0.000 0.818 1205 E HN 0.642 nan 8.360 nan 0.000 0.548 1206 T N -3.681 110.898 114.554 0.041 0.000 3.145 1206 T HA 0.466 4.816 4.350 -0.001 0.000 0.255 1206 T C 1.305 176.094 174.700 0.147 0.000 1.039 1206 T CA 0.213 62.388 62.100 0.126 0.000 0.928 1206 T CB 0.390 69.398 68.868 0.232 0.000 1.029 1206 T HN 0.306 nan 8.240 nan 0.000 0.554 1207 G N 0.620 109.487 108.800 0.113 0.000 2.179 1207 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.220 1207 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.220 1207 G C 0.081 175.158 174.900 0.295 0.000 0.990 1207 G CA 0.060 45.233 45.100 0.122 0.000 0.646 1207 G HN 1.418 nan 8.290 nan 0.000 0.517 1208 V N -1.438 118.641 119.914 0.275 0.000 3.166 1208 V HA 0.844 4.963 4.120 -0.001 0.000 0.317 1208 V C 0.126 176.321 176.094 0.168 0.000 1.136 1208 V CA -0.583 61.870 62.300 0.256 0.000 1.035 1208 V CB 1.707 33.688 31.823 0.264 0.000 1.110 1208 V HN 0.384 nan 8.190 nan 0.000 0.450 1209 D N 0.453 120.928 120.400 0.126 0.000 2.382 1209 D HA 0.108 4.747 4.640 -0.001 0.000 0.245 1209 D C 0.033 176.384 176.300 0.085 0.000 1.120 1209 D CA -0.029 54.025 54.000 0.090 0.000 0.890 1209 D CB 1.923 42.765 40.800 0.069 0.000 1.201 1209 D HN 0.755 nan 8.370 nan 0.000 0.433 1210 D N 0.842 121.294 120.400 0.087 0.000 2.566 1210 D HA -0.023 4.617 4.640 -0.001 0.000 0.253 1210 D C -0.409 175.911 176.300 0.034 0.000 0.992 1210 D CA 0.754 54.797 54.000 0.072 0.000 0.940 1210 D CB 0.791 41.687 40.800 0.159 0.000 1.095 1210 D HN 0.466 nan 8.370 nan 0.000 0.480 1211 T N 0.404 114.985 114.554 0.045 0.000 3.105 1211 T HA 0.508 4.858 4.350 -0.001 0.000 0.321 1211 T C -1.069 173.653 174.700 0.037 0.000 1.135 1211 T CA -0.587 61.536 62.100 0.039 0.000 1.053 1211 T CB 2.583 71.472 68.868 0.035 0.000 1.133 1211 T HN -0.159 nan 8.240 nan 0.000 0.463 1212 V N 2.689 122.630 119.914 0.046 0.000 2.668 1212 V HA 0.609 4.728 4.120 -0.001 0.000 0.304 1212 V C -0.301 175.777 176.094 -0.028 0.000 1.071 1212 V CA -0.718 61.594 62.300 0.020 0.000 0.894 1212 V CB 2.367 34.225 31.823 0.059 0.000 1.008 1212 V HN 0.984 nan 8.190 nan 0.000 0.425 1213 T N 3.862 118.355 114.554 -0.101 0.000 2.855 1213 T HA 0.786 5.135 4.350 -0.001 0.000 0.281 1213 T C -0.675 173.823 174.700 -0.337 0.000 1.007 1213 T CA -0.483 61.490 62.100 -0.211 0.000 1.009 1213 T CB 1.920 70.724 68.868 -0.107 0.000 0.983 1213 T HN 0.411 nan 8.240 nan 0.000 0.455 1214 V N 3.181 122.737 119.914 -0.596 0.000 2.760 1214 V HA 0.551 4.670 4.120 -0.001 0.000 0.309 1214 V C -1.161 174.738 176.094 -0.324 0.000 1.077 1214 V CA -0.858 61.117 62.300 -0.542 0.000 0.910 1214 V CB 2.155 33.414 31.823 -0.941 0.000 1.008 1214 V HN 0.631 nan 8.190 nan 0.000 0.424 1215 L N 5.064 126.213 121.223 -0.124 0.000 2.333 1215 L HA 0.721 5.060 4.340 -0.001 0.000 0.280 1215 L C -1.101 175.803 176.870 0.055 0.000 1.004 1215 L CA -0.075 54.763 54.840 -0.002 0.000 0.820 1215 L CB 1.503 43.547 42.059 -0.026 0.000 1.247 1215 L HN 0.530 nan 8.230 nan 0.000 0.416 1216 L N 3.940 125.270 121.223 0.177 0.000 2.343 1216 L HA 0.524 4.863 4.340 -0.001 0.000 0.278 1216 L C -0.364 176.627 176.870 0.203 0.000 0.996 1216 L CA -0.513 54.433 54.840 0.178 0.000 0.831 1216 L CB 1.656 43.905 42.059 0.316 0.000 1.232 1216 L HN 0.483 nan 8.230 nan 0.000 0.413 1217 Q N 2.296 122.118 119.800 0.036 0.000 2.295 1217 Q HA 0.359 4.698 4.340 -0.001 0.000 0.259 1217 Q C -1.632 174.310 176.000 -0.096 0.000 0.976 1217 Q CA 0.361 56.182 55.803 0.030 0.000 0.923 1217 Q CB 0.509 29.230 28.738 -0.028 0.000 1.185 1217 Q HN 0.445 nan 8.270 nan 0.000 0.410 1218 Y N 4.385 124.628 120.300 -0.095 0.000 2.567 1218 Y HA 0.527 5.078 4.550 0.000 0.000 0.333 1218 Y C -1.893 173.898 175.900 -0.181 0.000 1.106 1218 Y CA -2.423 55.568 58.100 -0.181 0.000 1.157 1218 Y CB 1.664 39.850 38.460 -0.457 0.000 1.277 1218 Y HN 0.656 nan 8.280 nan 0.000 0.490 1219 P HA 0.181 nan 4.420 nan 0.000 0.272 1219 P C 0.026 177.299 177.300 -0.044 0.000 1.230 1219 P CA 0.678 63.764 63.100 -0.024 0.000 0.788 1219 P CB 0.612 32.311 31.700 -0.003 0.000 0.949 1220 G N 0.463 109.243 108.800 -0.033 0.000 2.147 1220 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.244 1220 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.244 1220 G C 0.086 174.961 174.900 -0.041 0.000 1.005 1220 G CA 0.107 45.187 45.100 -0.033 0.000 0.713 1220 G HN 0.601 nan 8.290 nan 0.000 0.515 1221 E N -2.967 117.214 120.200 -0.032 0.000 2.340 1221 E HA -0.219 4.130 4.350 -0.001 0.000 0.240 1221 E C 0.502 177.089 176.600 -0.022 0.000 1.154 1221 E CA 1.271 57.667 56.400 -0.007 0.000 0.717 1221 E CB -2.438 27.266 29.700 0.005 0.000 1.250 1221 E HN 1.890 nan 8.360 nan 0.000 0.386 1222 V N -1.810 118.038 119.914 -0.110 0.000 2.962 1222 V HA 0.849 4.969 4.120 -0.001 0.000 0.313 1222 V C 0.081 176.064 176.094 -0.185 0.000 1.099 1222 V CA -0.813 61.345 62.300 -0.237 0.000 0.971 1222 V CB 2.611 34.134 31.823 -0.499 0.000 1.028 1222 V HN 0.371 nan 8.190 nan 0.000 0.430 1223 H N 1.134 120.148 119.070 -0.093 0.000 2.977 1223 H HA 0.905 5.460 4.556 -0.001 0.000 0.350 1223 H C -0.497 175.014 175.328 0.305 0.000 1.238 1223 H CA -0.497 55.606 56.048 0.092 0.000 1.124 1223 H CB 2.032 31.849 29.762 0.092 0.000 1.866 1223 H HN 1.152 nan 8.280 nan 0.000 0.550 1224 G N -0.426 108.685 108.800 0.518 0.000 2.680 1224 G HA2 0.524 4.483 3.960 -0.001 0.000 0.290 1224 G HA3 0.524 4.483 3.960 -0.001 0.000 0.290 1224 G C -1.289 173.851 174.900 0.399 0.000 1.355 1224 G CA -0.406 44.957 45.100 0.438 0.000 0.903 1224 G HN 0.930 nan 8.290 nan 0.000 0.474 1225 S N -1.256 114.640 115.700 0.327 0.000 2.618 1225 S HA 0.882 5.351 4.470 -0.001 0.000 0.277 1225 S C -1.031 173.750 174.600 0.302 0.000 1.138 1225 S CA -0.866 57.469 58.200 0.225 0.000 0.844 1225 S CB 1.829 65.112 63.200 0.138 0.000 1.127 1225 S HN 1.797 nan 8.310 nan 0.000 0.474 1226 F N -1.571 118.461 119.950 0.137 0.000 2.668 1226 F HA 0.873 5.399 4.527 -0.002 0.000 0.309 1226 F C -1.211 174.645 175.800 0.094 0.000 1.117 1226 F CA -0.765 57.304 58.000 0.116 0.000 0.951 1226 F CB 1.491 40.572 39.000 0.135 0.000 1.323 1226 F HN 0.581 nan 8.300 nan 0.000 0.451 1227 T N 1.698 116.453 114.554 0.335 0.000 2.881 1227 T HA 0.602 4.951 4.350 -0.001 0.000 0.290 1227 T C -1.034 173.855 174.700 0.315 0.000 1.000 1227 T CA -0.608 61.617 62.100 0.209 0.000 0.978 1227 T CB 1.084 70.019 68.868 0.112 0.000 0.997 1227 T HN 1.044 nan 8.240 nan 0.000 0.443 1228 C N 0.892 120.358 119.300 0.277 0.000 2.889 1228 C HA 0.996 5.455 4.460 -0.001 0.000 0.307 1228 C C -0.281 174.757 174.990 0.080 0.000 1.251 1228 C CA -0.947 58.184 59.018 0.187 0.000 1.593 1228 C CB 1.174 29.034 27.740 0.199 0.000 2.104 1228 C HN 0.832 nan 8.230 nan 0.000 0.476 1229 S N 0.066 115.765 115.700 -0.001 0.000 2.535 1229 S HA 0.624 5.093 4.470 -0.001 0.000 0.272 1229 S C -0.247 174.292 174.600 -0.102 0.000 1.149 1229 S CA -0.503 57.681 58.200 -0.027 0.000 0.888 1229 S CB 1.063 64.265 63.200 0.004 0.000 1.110 1229 S HN 1.395 nan 8.310 nan 0.000 0.463 1230 I N 2.378 122.879 120.570 -0.114 0.000 3.928 1230 I HA 0.363 4.532 4.170 -0.001 0.000 0.335 1230 I C 1.208 177.228 176.117 -0.162 0.000 1.325 1230 I CA 0.331 61.529 61.300 -0.170 0.000 1.107 1230 I CB 0.038 37.912 38.000 -0.210 0.000 1.014 1230 I HN 0.639 nan 8.210 nan 0.000 0.400 1231 T N -2.655 111.843 114.554 -0.093 0.000 3.010 1231 T HA 0.572 4.921 4.350 -0.001 0.000 0.252 1231 T C 0.853 175.544 174.700 -0.015 0.000 0.963 1231 T CA 0.387 62.455 62.100 -0.054 0.000 0.952 1231 T CB -0.175 68.694 68.868 0.001 0.000 1.182 1231 T HN 0.266 nan 8.240 nan 0.000 0.495 1232 A N 1.992 124.811 122.820 -0.002 0.000 2.260 1232 A HA 0.711 5.030 4.320 -0.001 0.000 0.314 1232 A C -0.095 177.507 177.584 0.031 0.000 1.257 1232 A CA -0.574 51.475 52.037 0.020 0.000 0.871 1232 A CB 0.878 19.895 19.000 0.029 0.000 1.166 1232 A HN 0.358 nan 8.150 nan 0.000 0.522 1233 Q N 1.801 121.626 119.800 0.042 0.000 2.283 1233 Q HA 0.338 4.677 4.340 -0.001 0.000 0.301 1233 Q C -0.827 175.216 176.000 0.072 0.000 1.063 1233 Q CA 1.071 56.913 55.803 0.065 0.000 0.952 1233 Q CB 0.037 28.814 28.738 0.066 0.000 1.166 1233 Q HN 0.648 nan 8.270 nan 0.000 0.381 1234 L N 1.604 122.885 121.223 0.097 0.000 2.211 1234 L HA 0.442 4.781 4.340 -0.001 0.000 0.259 1234 L C 1.139 178.064 176.870 0.092 0.000 1.031 1234 L CA -0.304 54.592 54.840 0.093 0.000 0.877 1234 L CB 1.398 43.524 42.059 0.111 0.000 1.457 1234 L HN 0.870 nan 8.230 nan 0.000 0.466 1235 S N -1.078 114.663 115.700 0.068 0.000 2.481 1235 S HA -0.101 4.368 4.470 -0.001 0.000 0.231 1235 S C 0.597 175.221 174.600 0.040 0.000 0.996 1235 S CA 0.574 58.801 58.200 0.046 0.000 0.942 1235 S CB -0.487 62.726 63.200 0.023 0.000 0.768 1235 S HN 0.743 nan 8.310 nan 0.000 0.520 1236 N N 2.104 120.840 118.700 0.061 0.000 2.725 1236 N HA -0.130 4.610 4.740 -0.001 0.000 0.251 1236 N C -0.024 175.436 175.510 -0.083 0.000 1.031 1236 N CA 1.494 54.563 53.050 0.031 0.000 0.720 1236 N CB -2.254 36.319 38.487 0.144 0.000 0.930 1236 N HN 0.941 nan 8.380 nan 0.000 0.543 1237 T N -3.961 110.528 114.554 -0.108 0.000 2.926 1237 T HA 0.898 5.247 4.350 -0.001 0.000 0.289 1237 T C -0.342 174.190 174.700 -0.279 0.000 1.054 1237 T CA -0.340 61.646 62.100 -0.190 0.000 1.015 1237 T CB 2.951 71.738 68.868 -0.135 0.000 1.167 1237 T HN 0.405 nan 8.240 nan 0.000 0.526 1238 A N 1.097 123.661 122.820 -0.426 0.000 2.455 1238 A HA 0.829 5.149 4.320 -0.001 0.000 0.300 1238 A C -0.212 177.102 177.584 -0.451 0.000 1.040 1238 A CA -0.708 50.904 52.037 -0.708 0.000 0.697 1238 A CB 1.425 19.425 19.000 -1.667 0.000 1.265 1238 A HN 1.590 nan 8.150 nan 0.000 0.407 1239 S N 0.181 115.773 115.700 -0.180 0.000 2.599 1239 S HA 0.852 5.321 4.470 -0.001 0.000 0.287 1239 S C -0.966 173.748 174.600 0.190 0.000 1.105 1239 S CA -0.609 57.604 58.200 0.023 0.000 0.899 1239 S CB 1.497 64.689 63.200 -0.013 0.000 1.100 1239 S HN 2.064 nan 8.310 nan 0.000 0.482 1240 V N 0.720 120.698 119.914 0.107 0.000 2.876 1240 V HA 0.882 5.001 4.120 -0.001 0.000 0.312 1240 V C -1.242 174.845 176.094 -0.011 0.000 1.085 1240 V CA -0.180 62.118 62.300 -0.004 0.000 0.945 1240 V CB 2.047 33.772 31.823 -0.163 0.000 1.017 1240 V HN 1.185 nan 8.190 nan 0.000 0.428 1241 S N 3.378 119.074 115.700 -0.006 0.000 2.569 1241 S HA 0.968 5.437 4.470 -0.001 0.000 0.280 1241 S C -0.120 174.486 174.600 0.009 0.000 1.111 1241 S CA -0.143 58.057 58.200 0.001 0.000 0.887 1241 S CB 1.798 65.002 63.200 0.007 0.000 1.095 1241 S HN 1.393 nan 8.310 nan 0.000 0.476 1242 G N 0.086 108.890 108.800 0.006 0.000 3.022 1242 G HA2 0.525 4.485 3.960 -0.001 0.000 0.284 1242 G HA3 0.525 4.485 3.960 -0.001 0.000 0.284 1242 G C 0.722 175.627 174.900 0.009 0.000 1.375 1242 G CA -0.012 45.095 45.100 0.012 0.000 0.902 1242 G HN 0.739 nan 8.290 nan 0.000 0.538 1243 T N -2.373 112.187 114.554 0.010 0.000 2.996 1243 T HA -0.020 4.329 4.350 -0.001 0.000 0.271 1243 T C 1.395 176.099 174.700 0.007 0.000 1.126 1243 T CA 1.534 63.640 62.100 0.010 0.000 1.103 1243 T CB -0.098 68.776 68.868 0.010 0.000 0.870 1243 T HN 0.405 nan 8.240 nan 0.000 0.528 1244 K N 0.202 120.605 120.400 0.005 0.000 2.402 1244 K HA 0.518 4.838 4.320 -0.001 0.000 0.204 1244 K C 0.774 177.375 176.600 0.001 0.000 1.056 1244 K CA -0.007 56.282 56.287 0.003 0.000 1.069 1244 K CB 1.329 33.830 32.500 0.002 0.000 0.888 1244 K HN 0.493 nan 8.250 nan 0.000 0.546 1245 G N 1.065 109.866 108.800 0.000 0.000 2.362 1245 G HA2 0.051 4.010 3.960 -0.001 0.000 0.288 1245 G HA3 0.051 4.010 3.960 -0.001 0.000 0.288 1245 G C -2.009 172.888 174.900 -0.006 0.000 1.305 1245 G CA -0.918 44.180 45.100 -0.002 0.000 0.910 1245 G HN -0.002 nan 8.290 nan 0.000 0.518 1246 M N 0.373 119.967 119.600 -0.011 0.000 2.465 1246 M HA 0.783 5.262 4.480 -0.001 0.000 0.316 1246 M C -0.434 175.851 176.300 -0.025 0.000 1.121 1246 M CA -0.778 54.514 55.300 -0.014 0.000 0.934 1246 M CB 1.929 34.521 32.600 -0.013 0.000 1.692 1246 M HN 1.613 nan 8.290 nan 0.000 0.444 1247 A N 3.619 126.426 122.820 -0.022 0.000 2.355 1247 A HA 0.707 5.026 4.320 -0.001 0.000 0.317 1247 A C -1.456 176.114 177.584 -0.023 0.000 1.094 1247 A CA -0.536 51.484 52.037 -0.028 0.000 0.764 1247 A CB 1.717 20.704 19.000 -0.022 0.000 1.230 1247 A HN 0.829 nan 8.150 nan 0.000 0.448 1248 Q N 2.049 121.815 119.800 -0.056 0.000 2.289 1248 Q HA 0.583 4.923 4.340 -0.001 0.000 0.270 1248 Q C -2.094 173.835 176.000 -0.119 0.000 1.038 1248 Q CA -0.529 55.222 55.803 -0.087 0.000 0.812 1248 Q CB 1.608 30.287 28.738 -0.099 0.000 1.300 1248 Q HN 0.746 nan 8.270 nan 0.000 0.427 1249 L N 4.960 126.081 121.223 -0.170 0.000 2.264 1249 L HA 0.408 4.747 4.340 -0.001 0.000 0.289 1249 L C -0.108 176.628 176.870 -0.224 0.000 1.044 1249 L CA -0.512 54.207 54.840 -0.201 0.000 0.807 1249 L CB 0.717 42.619 42.059 -0.262 0.000 1.192 1249 L HN 0.566 nan 8.230 nan 0.000 0.425 1250 L N 2.278 123.393 121.223 -0.181 0.000 2.466 1250 L HA 0.180 4.519 4.340 -0.001 0.000 0.257 1250 L C 0.601 177.344 176.870 -0.213 0.000 1.189 1250 L CA -0.545 54.198 54.840 -0.161 0.000 0.813 1250 L CB 0.393 42.391 42.059 -0.102 0.000 1.118 1250 L HN 0.589 nan 8.230 nan 0.000 0.471 1251 N N 2.271 120.870 118.700 -0.170 0.000 2.447 1251 N HA 0.074 4.813 4.740 -0.001 0.000 0.263 1251 N C -2.354 172.998 175.510 -0.263 0.000 1.226 1251 N CA -0.851 52.079 53.050 -0.201 0.000 0.906 1251 N CB 0.403 38.839 38.487 -0.086 0.000 1.060 1251 N HN 0.224 nan 8.380 nan 0.000 0.468 1252 P HA 0.172 nan 4.420 nan 0.000 0.291 1252 P C 0.857 177.612 177.300 -0.909 0.000 1.340 1252 P CA -0.628 61.927 63.100 -0.909 0.000 0.799 1252 P CB 0.354 31.095 31.700 -1.598 0.000 0.917 1253 C N 0.996 119.953 119.300 -0.573 0.000 2.422 1253 C HA -0.029 4.430 4.460 -0.001 0.000 0.286 1253 C C 2.022 176.654 174.990 -0.596 0.000 1.412 1253 C CA -0.054 58.654 59.018 -0.517 0.000 1.786 1253 C CB -2.206 25.290 27.740 -0.405 0.000 1.835 1253 C HN 0.736 nan 8.230 nan 0.000 0.533 1254 W N 1.334 122.118 121.300 -0.860 0.000 3.139 1254 W HA 0.382 5.041 4.660 -0.001 0.000 0.260 1254 W C 0.646 176.514 176.519 -1.085 0.000 1.312 1254 W CA 0.186 56.937 57.345 -0.990 0.000 1.606 1254 W CB -1.025 27.548 29.460 -1.478 0.000 1.118 1254 W HN 0.464 nan 8.180 nan 0.000 0.675 1255 C N -0.914 117.426 119.300 -1.601 0.000 3.392 1255 C HA 0.433 4.892 4.460 -0.001 0.000 0.217 1255 C C -2.489 171.658 174.990 -1.405 0.000 1.222 1255 C CA -2.307 55.499 59.018 -2.019 0.000 1.200 1255 C CB -0.871 25.969 27.740 -1.500 0.000 1.818 1255 C HN -0.027 nan 8.230 nan 0.000 0.586 1256 P HA 0.404 nan 4.420 nan 0.000 0.284 1256 P C 0.622 177.781 177.300 -0.235 0.000 1.253 1256 P CA 0.366 63.124 63.100 -0.569 0.000 0.800 1256 P CB 1.773 33.189 31.700 -0.474 0.000 0.961 1257 T N -2.059 112.437 114.554 -0.096 0.000 3.043 1257 T HA 0.245 4.594 4.350 -0.001 0.000 0.272 1257 T C 0.111 174.903 174.700 0.154 0.000 0.990 1257 T CA -0.190 61.969 62.100 0.099 0.000 0.897 1257 T CB 0.001 68.927 68.868 0.096 0.000 1.111 1257 T HN 0.422 nan 8.240 nan 0.000 0.529 1258 E N 1.053 121.286 120.200 0.056 0.000 2.293 1258 E HA 0.649 4.998 4.350 -0.001 0.000 0.270 1258 E C -1.936 174.693 176.600 0.048 0.000 0.879 1258 E CA -1.167 55.289 56.400 0.092 0.000 0.756 1258 E CB 2.707 32.430 29.700 0.038 0.000 1.208 1258 E HN 0.065 nan 8.360 nan 0.000 0.428 1259 L N 2.331 123.620 121.223 0.109 0.000 2.349 1259 L HA 0.416 4.755 4.340 -0.001 0.000 0.278 1259 L C -1.545 175.294 176.870 -0.051 0.000 0.996 1259 L CA -0.783 54.085 54.840 0.047 0.000 0.825 1259 L CB 1.837 44.006 42.059 0.185 0.000 1.243 1259 L HN 0.416 nan 8.230 nan 0.000 0.412 1260 V N 5.835 125.655 119.914 -0.156 0.000 2.384 1260 V HA 0.555 4.674 4.120 -0.001 0.000 0.287 1260 V C -0.484 175.530 176.094 -0.133 0.000 1.020 1260 V CA -0.661 61.482 62.300 -0.261 0.000 0.850 1260 V CB 1.665 33.206 31.823 -0.469 0.000 0.987 1260 V HN 0.503 nan 8.190 nan 0.000 0.436 1261 V N 4.960 124.824 119.914 -0.083 0.000 2.376 1261 V HA 0.424 4.543 4.120 -0.001 0.000 0.287 1261 V C 0.228 176.303 176.094 -0.033 0.000 1.015 1261 V CA -1.125 61.150 62.300 -0.043 0.000 0.834 1261 V CB 1.098 32.912 31.823 -0.015 0.000 1.001 1261 V HN 0.961 nan 8.190 nan 0.000 0.428 1262 K N 4.144 124.527 120.400 -0.029 0.000 3.278 1262 K HA -0.254 4.065 4.320 -0.001 0.000 0.270 1262 K C 1.263 177.859 176.600 -0.008 0.000 0.955 1262 K CA 0.768 57.046 56.287 -0.015 0.000 0.723 1262 K CB -1.360 31.137 32.500 -0.006 0.000 1.382 1262 K HN 1.501 nan 8.250 nan 0.000 0.461 1263 G N -0.100 108.688 108.800 -0.019 0.000 2.328 1263 G HA2 -0.416 3.543 3.960 -0.001 0.000 0.256 1263 G HA3 -0.416 3.543 3.960 -0.001 0.000 0.256 1263 G C -0.029 174.908 174.900 0.063 0.000 1.014 1263 G CA 0.525 45.637 45.100 0.020 0.000 0.620 1263 G HN 0.557 nan 8.290 nan 0.000 0.530 1264 E N 1.777 121.993 120.200 0.026 0.000 2.180 1264 E HA 0.246 4.595 4.350 -0.001 0.000 0.283 1264 E C -0.086 176.537 176.600 0.038 0.000 1.061 1264 E CA -0.532 55.902 56.400 0.058 0.000 0.861 1264 E CB -0.021 29.695 29.700 0.026 0.000 1.056 1264 E HN 0.586 nan 8.360 nan 0.000 0.407 1265 H N 4.338 123.392 119.070 -0.026 0.000 2.683 1265 H HA 0.237 4.792 4.556 -0.001 0.000 0.339 1265 H C -0.164 175.126 175.328 -0.063 0.000 1.081 1265 H CA 0.079 56.106 56.048 -0.034 0.000 1.432 1265 H CB 1.086 30.824 29.762 -0.039 0.000 1.462 1265 H HN 0.273 nan 8.280 nan 0.000 0.557 1266 K N 2.286 122.693 120.400 0.013 0.000 2.427 1266 K HA 0.197 4.517 4.320 -0.001 0.000 0.252 1266 K C -0.582 175.882 176.600 -0.226 0.000 0.931 1266 K CA -0.614 55.578 56.287 -0.159 0.000 0.793 1266 K CB 2.853 35.221 32.500 -0.220 0.000 1.211 1266 K HN 0.630 nan 8.250 nan 0.000 0.426 1267 E N 2.704 122.685 120.200 -0.366 0.000 2.207 1267 E HA 0.398 4.748 4.350 -0.001 0.000 0.270 1267 E C -1.451 174.864 176.600 -0.474 0.000 0.927 1267 E CA -0.679 55.582 56.400 -0.232 0.000 0.799 1267 E CB 0.916 30.552 29.700 -0.105 0.000 1.172 1267 E HN 0.336 nan 8.360 nan 0.000 0.404 1268 F N 3.946 123.896 119.950 0.001 0.000 2.610 1268 F HA 0.323 4.849 4.527 -0.001 0.000 0.355 1268 F C -0.230 175.590 175.800 0.033 0.000 1.140 1268 F CA -0.671 57.332 58.000 0.006 0.000 1.037 1268 F CB 0.967 39.956 39.000 -0.017 0.000 1.287 1268 F HN 0.283 nan 8.300 nan 0.000 0.457 1269 L N 3.902 125.220 121.223 0.158 0.000 2.461 1269 L HA 0.240 4.579 4.340 -0.001 0.000 0.272 1269 L C 0.312 177.285 176.870 0.171 0.000 1.197 1269 L CA -0.398 54.518 54.840 0.126 0.000 0.836 1269 L CB 0.539 42.638 42.059 0.067 0.000 1.105 1269 L HN 0.493 nan 8.230 nan 0.000 0.477 1270 L N 3.049 124.362 121.223 0.150 0.000 2.464 1270 L HA 0.204 4.543 4.340 -0.001 0.000 0.264 1270 L C -1.806 175.105 176.870 0.069 0.000 1.199 1270 L CA -1.676 53.250 54.840 0.143 0.000 0.818 1270 L CB -0.103 42.031 42.059 0.125 0.000 1.102 1270 L HN 0.415 nan 8.230 nan 0.000 0.473 1271 P HA 0.031 nan 4.420 nan 0.000 0.268 1271 P C -1.981 175.304 177.300 -0.026 0.000 1.208 1271 P CA -0.952 62.118 63.100 -0.050 0.000 0.777 1271 P CB -0.103 31.502 31.700 -0.158 0.000 0.875 1272 P HA -0.076 nan 4.420 nan 0.000 0.220 1272 P C 0.153 177.440 177.300 -0.021 0.000 1.148 1272 P CA 1.181 64.274 63.100 -0.012 0.000 0.803 1272 P CB 0.132 31.824 31.700 -0.013 0.000 0.782 1273 V N -4.709 115.180 119.914 -0.042 0.000 2.914 1273 V HA 0.659 4.778 4.120 -0.001 0.000 0.314 1273 V C -3.007 173.046 176.094 -0.069 0.000 1.084 1273 V CA -3.140 59.132 62.300 -0.048 0.000 0.963 1273 V CB 1.199 32.991 31.823 -0.051 0.000 1.025 1273 V HN -0.258 nan 8.190 nan 0.000 0.432 1274 P HA 0.402 nan 4.420 nan 0.000 0.274 1274 P C -0.866 176.429 177.300 -0.008 0.000 1.246 1274 P CA -0.408 62.672 63.100 -0.034 0.000 0.795 1274 P CB 0.526 32.205 31.700 -0.034 0.000 1.006 1275 K N 0.988 121.385 120.400 -0.005 0.000 2.210 1275 K HA 0.316 4.635 4.320 -0.001 0.000 0.236 1275 K C 0.007 176.613 176.600 0.010 0.000 1.016 1275 K CA -0.620 55.673 56.287 0.010 0.000 0.913 1275 K CB 0.410 32.913 32.500 0.005 0.000 1.141 1275 K HN 0.398 nan 8.250 nan 0.000 0.462 1276 N N -0.469 118.242 118.700 0.017 0.000 2.756 1276 N HA -0.155 4.584 4.740 -0.001 0.000 0.248 1276 N C -0.750 174.765 175.510 0.009 0.000 1.062 1276 N CA 0.394 53.450 53.050 0.009 0.000 0.696 1276 N CB -2.135 36.349 38.487 -0.006 0.000 0.946 1276 N HN 0.483 nan 8.380 nan 0.000 0.548 1277 C N 0.791 120.110 119.300 0.031 0.000 2.539 1277 C HA 0.201 4.660 4.460 -0.001 0.000 0.392 1277 C C 2.187 177.167 174.990 -0.016 0.000 1.269 1277 C CA -0.747 58.291 59.018 0.034 0.000 2.250 1277 C CB 0.624 28.420 27.740 0.093 0.000 2.584 1277 C HN 0.437 nan 8.230 nan 0.000 0.589 1278 N N 0.766 119.401 118.700 -0.109 0.000 2.137 1278 N HA -0.099 4.640 4.740 -0.001 0.000 0.190 1278 N C -0.161 175.040 175.510 -0.515 0.000 1.017 1278 N CA 1.441 54.271 53.050 -0.367 0.000 0.859 1278 N CB -0.120 38.020 38.487 -0.579 0.000 1.002 1278 N HN 0.573 nan 8.380 nan 0.000 0.428 1279 F N 0.469 120.498 119.950 0.131 0.000 2.522 1279 F HA 0.221 4.748 4.527 -0.001 0.000 0.324 1279 F C 0.459 176.411 175.800 0.253 0.000 1.077 1279 F CA -1.710 56.408 58.000 0.197 0.000 0.944 1279 F CB 0.863 39.980 39.000 0.195 0.000 1.175 1279 F HN -0.241 nan 8.300 nan 0.000 0.468 1280 D N 1.577 122.276 120.400 0.499 0.000 2.493 1280 D HA 0.016 4.655 4.640 -0.001 0.000 0.240 1280 D C 0.407 176.956 176.300 0.416 0.000 1.142 1280 D CA 0.816 55.043 54.000 0.378 0.000 0.872 1280 D CB 0.267 41.284 40.800 0.363 0.000 1.173 1280 D HN 0.538 nan 8.370 nan 0.000 0.467 1281 N N 2.170 121.051 118.700 0.300 0.000 2.741 1281 N HA -0.155 4.584 4.740 -0.001 0.000 0.251 1281 N C 1.247 177.083 175.510 0.543 0.000 1.112 1281 N CA 0.988 54.242 53.050 0.340 0.000 0.750 1281 N CB -1.421 37.206 38.487 0.234 0.000 1.119 1281 N HN 0.609 nan 8.380 nan 0.000 0.561 1282 G N -0.023 109.053 108.800 0.460 0.000 2.499 1282 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.221 1282 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.221 1282 G C 1.540 176.621 174.900 0.302 0.000 1.109 1282 G CA 1.385 46.714 45.100 0.381 0.000 0.749 1282 G HN 0.649 nan 8.290 nan 0.000 0.568 1283 A N 0.614 123.563 122.820 0.215 0.000 2.070 1283 A HA 0.208 4.527 4.320 -0.001 0.000 0.220 1283 A C 2.537 180.112 177.584 -0.015 0.000 1.159 1283 A CA 1.670 53.740 52.037 0.055 0.000 0.656 1283 A CB -0.586 18.417 19.000 0.004 0.000 0.800 1283 A HN 0.510 nan 8.150 nan 0.000 0.453 1284 G N -0.980 107.937 108.800 0.194 0.000 2.679 1284 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.212 1284 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.212 1284 G C 1.315 176.297 174.900 0.138 0.000 1.137 1284 G CA 0.630 45.640 45.100 -0.149 0.000 0.787 1284 G HN 0.504 nan 8.290 nan 0.000 0.534 1285 M N 1.638 121.485 119.600 0.412 0.000 2.446 1285 M HA -0.093 4.386 4.480 -0.001 0.000 0.263 1285 M C 2.790 179.146 176.300 0.093 0.000 1.066 1285 M CA 1.312 56.844 55.300 0.387 0.000 1.087 1285 M CB -0.170 32.587 32.600 0.261 0.000 1.406 1285 M HN 0.387 nan 8.290 nan 0.000 0.459 1286 S N -0.190 115.371 115.700 -0.232 0.000 2.399 1286 S HA -0.164 4.305 4.470 -0.001 0.000 0.231 1286 S C 1.590 176.047 174.600 -0.237 0.000 1.022 1286 S CA 0.949 58.937 58.200 -0.354 0.000 0.983 1286 S CB -0.823 62.080 63.200 -0.496 0.000 0.803 1286 S HN 0.454 nan 8.310 nan 0.000 0.480 1287 Y N 3.149 123.430 120.300 -0.031 0.000 2.181 1287 Y HA -0.100 4.450 4.550 -0.001 0.000 0.288 1287 Y C 2.766 178.675 175.900 0.015 0.000 1.146 1287 Y CA 1.117 59.221 58.100 0.006 0.000 1.164 1287 Y CB -0.829 37.620 38.460 -0.018 0.000 0.982 1287 Y HN 0.599 nan 8.280 nan 0.000 0.515 1288 E N -0.053 120.251 120.200 0.174 0.000 2.152 1288 E HA -0.116 4.233 4.350 -0.001 0.000 0.192 1288 E C 2.291 178.926 176.600 0.058 0.000 0.983 1288 E CA 0.976 57.289 56.400 -0.146 0.000 0.818 1288 E CB -0.470 29.298 29.700 0.113 0.000 0.758 1288 E HN 0.311 nan 8.360 nan 0.000 0.467 1289 A N 1.887 124.797 122.820 0.150 0.000 1.902 1289 A HA -0.178 4.141 4.320 -0.001 0.000 0.217 1289 A C 2.103 179.831 177.584 0.239 0.000 1.181 1289 A CA 1.727 53.880 52.037 0.194 0.000 0.623 1289 A CB -0.361 18.488 19.000 -0.252 0.000 0.818 1289 A HN 0.169 nan 8.150 nan 0.000 0.443 1290 K N -1.524 118.938 120.400 0.102 0.000 2.097 1290 K HA -0.157 4.163 4.320 -0.001 0.000 0.205 1290 K C 2.037 178.725 176.600 0.146 0.000 1.050 1290 K CA 1.506 57.898 56.287 0.174 0.000 0.938 1290 K CB -0.313 32.262 32.500 0.125 0.000 0.718 1290 K HN 0.738 nan 8.250 nan 0.000 0.442 1291 H N 0.540 119.596 119.070 -0.023 0.000 2.319 1291 H HA -0.097 4.458 4.556 -0.001 0.000 0.299 1291 H C 1.766 177.062 175.328 -0.054 0.000 1.092 1291 H CA 1.715 57.701 56.048 -0.102 0.000 1.302 1291 H CB -0.102 29.370 29.762 -0.483 0.000 1.373 1291 H HN -0.101 nan 8.280 nan 0.000 0.497 1292 V N 0.831 120.763 119.914 0.029 0.000 2.287 1292 V HA -0.295 3.824 4.120 -0.001 0.000 0.248 1292 V C 2.675 178.615 176.094 -0.257 0.000 1.053 1292 V CA 2.300 64.552 62.300 -0.079 0.000 1.027 1292 V CB -0.625 31.328 31.823 0.217 0.000 0.646 1292 V HN 0.438 nan 8.190 nan 0.000 0.447 1293 R N 0.011 120.483 120.500 -0.048 0.000 2.083 1293 R HA -0.221 4.118 4.340 -0.001 0.000 0.237 1293 R C 2.310 178.496 176.300 -0.192 0.000 1.137 1293 R CA 2.164 58.182 56.100 -0.136 0.000 0.951 1293 R CB -0.248 30.014 30.300 -0.065 0.000 0.851 1293 R HN 0.665 nan 8.270 nan 0.000 0.434 1294 E N -0.248 119.856 120.200 -0.161 0.000 2.058 1294 E HA -0.244 4.106 4.350 -0.001 0.000 0.194 1294 E C 2.218 178.684 176.600 -0.224 0.000 0.997 1294 E CA 1.670 57.971 56.400 -0.165 0.000 0.801 1294 E CB -0.222 29.400 29.700 -0.129 0.000 0.746 1294 E HN 0.448 nan 8.360 nan 0.000 0.450 1295 C N 0.774 119.864 119.300 -0.350 0.000 2.429 1295 C HA -0.103 4.357 4.460 -0.001 0.000 0.277 1295 C C 2.615 177.424 174.990 -0.301 0.000 1.262 1295 C CA 0.414 59.252 59.018 -0.301 0.000 1.733 1295 C CB -0.887 26.669 27.740 -0.307 0.000 2.010 1295 C HN 0.387 nan 8.230 nan 0.000 0.483 1296 L N -0.017 120.953 121.223 -0.423 0.000 2.109 1296 L HA -0.085 4.254 4.340 -0.001 0.000 0.207 1296 L C 2.897 179.640 176.870 -0.212 0.000 1.086 1296 L CA 1.285 55.907 54.840 -0.362 0.000 0.760 1296 L CB -0.551 41.253 42.059 -0.424 0.000 0.910 1296 L HN 0.315 nan 8.230 nan 0.000 0.437 1297 R N 0.301 120.687 120.500 -0.191 0.000 2.096 1297 R HA -0.148 4.191 4.340 -0.001 0.000 0.235 1297 R C 1.816 178.060 176.300 -0.093 0.000 1.127 1297 R CA 1.167 57.189 56.100 -0.129 0.000 0.968 1297 R CB -0.070 30.162 30.300 -0.114 0.000 0.861 1297 R HN 0.292 nan 8.270 nan 0.000 0.440 1298 K N -0.442 119.904 120.400 -0.090 0.000 2.551 1298 K HA 0.072 4.391 4.320 -0.001 0.000 0.192 1298 K C 0.787 177.363 176.600 -0.039 0.000 1.027 1298 K CA 0.535 56.791 56.287 -0.053 0.000 1.059 1298 K CB 0.504 32.981 32.500 -0.037 0.000 0.831 1298 K HN 0.370 nan 8.250 nan 0.000 0.508 1299 G N 1.839 110.606 108.800 -0.055 0.000 2.168 1299 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.257 1299 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.257 1299 G C 0.140 175.047 174.900 0.011 0.000 0.997 1299 G CA -0.038 45.045 45.100 -0.028 0.000 0.708 1299 G HN 0.209 nan 8.290 nan 0.000 0.520 1300 L N -0.550 120.687 121.223 0.024 0.000 2.461 1300 L HA 0.278 4.617 4.340 -0.001 0.000 0.272 1300 L C 1.312 178.324 176.870 0.238 0.000 1.197 1300 L CA -0.150 54.759 54.840 0.115 0.000 0.836 1300 L CB 0.414 42.558 42.059 0.141 0.000 1.105 1300 L HN -0.101 nan 8.230 nan 0.000 0.477 1301 K N 1.853 122.389 120.400 0.228 0.000 2.373 1301 K HA 0.184 4.503 4.320 -0.001 0.000 0.202 1301 K C -0.157 176.512 176.600 0.115 0.000 1.025 1301 K CA 0.150 56.572 56.287 0.224 0.000 1.115 1301 K CB 0.259 32.813 32.500 0.091 0.000 0.858 1301 K HN 0.790 nan 8.250 nan 0.000 0.525 1302 E N -1.773 118.535 120.200 0.179 0.000 2.403 1302 E HA 0.187 4.536 4.350 -0.001 0.000 0.280 1302 E C -1.386 175.348 176.600 0.223 0.000 1.101 1302 E CA -0.736 55.603 56.400 -0.102 0.000 0.856 1302 E CB 0.693 30.341 29.700 -0.087 0.000 1.303 1302 E HN -0.144 nan 8.360 nan 0.000 0.441 1303 S N 0.746 116.573 115.700 0.212 0.000 2.513 1303 S HA 0.347 4.816 4.470 -0.001 0.000 0.276 1303 S C -1.739 173.041 174.600 0.300 0.000 1.254 1303 S CA -1.487 56.981 58.200 0.447 0.000 1.053 1303 S CB 0.848 64.423 63.200 0.626 0.000 0.958 1303 S HN 0.450 nan 8.310 nan 0.000 0.491 1304 P HA 0.003 nan 4.420 nan 0.000 0.230 1304 P C 1.060 178.455 177.300 0.157 0.000 1.158 1304 P CA 0.456 63.671 63.100 0.192 0.000 0.769 1304 P CB 0.041 31.846 31.700 0.175 0.000 0.807 1305 V N -0.823 119.216 119.914 0.208 0.000 2.685 1305 V HA 0.053 4.173 4.120 -0.001 0.000 0.244 1305 V C 1.382 177.469 176.094 -0.013 0.000 1.054 1305 V CA 1.056 63.382 62.300 0.043 0.000 1.076 1305 V CB -0.386 31.396 31.823 -0.068 0.000 0.725 1305 V HN -0.025 nan 8.190 nan 0.000 0.467 1306 I N 1.716 122.347 120.570 0.102 0.000 2.750 1306 I HA 0.341 4.511 4.170 -0.001 0.000 0.279 1306 I C -2.767 173.398 176.117 0.080 0.000 1.206 1306 I CA -1.805 59.539 61.300 0.073 0.000 1.101 1306 I CB 1.104 39.166 38.000 0.104 0.000 1.431 1306 I HN 0.098 nan 8.210 nan 0.000 0.551 1307 P HA 0.146 nan 4.420 nan 0.000 0.269 1307 P C 1.060 178.363 177.300 0.006 0.000 1.209 1307 P CA -0.173 62.950 63.100 0.038 0.000 0.776 1307 P CB 1.027 32.749 31.700 0.037 0.000 0.876 1308 L N 2.183 123.393 121.223 -0.021 0.000 2.127 1308 L HA -0.157 4.182 4.340 -0.001 0.000 0.211 1308 L C 2.394 179.255 176.870 -0.015 0.000 1.089 1308 L CA 1.151 55.971 54.840 -0.034 0.000 0.757 1308 L CB -0.736 41.289 42.059 -0.056 0.000 0.899 1308 L HN 0.250 nan 8.230 nan 0.000 0.434 1309 V N -0.194 119.717 119.914 -0.004 0.000 2.626 1309 V HA -0.250 3.870 4.120 -0.001 0.000 0.252 1309 V C 2.367 178.465 176.094 0.007 0.000 1.067 1309 V CA 1.920 64.221 62.300 0.002 0.000 1.081 1309 V CB -0.010 31.817 31.823 0.006 0.000 0.686 1309 V HN 0.531 nan 8.190 nan 0.000 0.468 1310 E N -0.664 119.543 120.200 0.011 0.000 2.076 1310 E HA -0.145 4.204 4.350 -0.001 0.000 0.190 1310 E C 2.366 178.971 176.600 0.009 0.000 0.979 1310 E CA 1.112 57.522 56.400 0.016 0.000 0.807 1310 E CB -0.074 29.636 29.700 0.016 0.000 0.761 1310 E HN 0.612 nan 8.360 nan 0.000 0.454 1311 S N 0.856 116.556 115.700 0.000 0.000 2.380 1311 S HA -0.239 4.230 4.470 -0.001 0.000 0.229 1311 S C 1.666 176.261 174.600 -0.008 0.000 1.043 1311 S CA 1.659 59.855 58.200 -0.008 0.000 1.038 1311 S CB -0.269 62.920 63.200 -0.018 0.000 0.872 1311 S HN 0.340 nan 8.310 nan 0.000 0.456 1312 E N 0.195 120.391 120.200 -0.006 0.000 2.077 1312 E HA -0.150 4.199 4.350 -0.001 0.000 0.193 1312 E C 2.112 178.714 176.600 0.004 0.000 0.989 1312 E CA 1.083 57.481 56.400 -0.004 0.000 0.800 1312 E CB -0.221 29.476 29.700 -0.005 0.000 0.746 1312 E HN 0.323 nan 8.360 nan 0.000 0.452 1313 L N 0.963 122.193 121.223 0.011 0.000 2.056 1313 L HA -0.123 4.216 4.340 -0.001 0.000 0.207 1313 L C 1.981 178.867 176.870 0.028 0.000 1.078 1313 L CA 1.473 56.324 54.840 0.020 0.000 0.749 1313 L CB -0.281 41.796 42.059 0.030 0.000 0.901 1313 L HN 0.092 nan 8.230 nan 0.000 0.433 1314 L N -0.347 120.891 121.223 0.024 0.000 2.046 1314 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 1314 L C 2.708 179.586 176.870 0.015 0.000 1.077 1314 L CA 1.221 56.075 54.840 0.024 0.000 0.747 1314 L CB -1.123 40.938 42.059 0.003 0.000 0.896 1314 L HN 0.383 nan 8.230 nan 0.000 0.432 1315 A N -0.179 122.643 122.820 0.003 0.000 1.930 1315 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 1315 A C 1.933 179.526 177.584 0.015 0.000 1.175 1315 A CA 1.791 53.828 52.037 0.000 0.000 0.627 1315 A CB -0.461 18.533 19.000 -0.010 0.000 0.815 1315 A HN 0.357 nan 8.150 nan 0.000 0.443 1316 D N 0.203 120.613 120.400 0.016 0.000 2.104 1316 D HA -0.144 4.495 4.640 -0.001 0.000 0.194 1316 D C 1.866 178.184 176.300 0.030 0.000 0.994 1316 D CA 1.313 55.324 54.000 0.018 0.000 0.830 1316 D CB -0.349 40.458 40.800 0.012 0.000 0.959 1316 D HN 0.533 nan 8.370 nan 0.000 0.452 1317 I N 0.655 121.251 120.570 0.043 0.000 2.179 1317 I HA -0.213 3.956 4.170 -0.001 0.000 0.242 1317 I C 2.559 178.729 176.117 0.089 0.000 1.088 1317 I CA 0.573 61.915 61.300 0.069 0.000 1.357 1317 I CB -0.075 37.986 38.000 0.102 0.000 1.051 1317 I HN 0.038 nan 8.210 nan 0.000 0.409 1318 L N 0.667 121.936 121.223 0.078 0.000 2.056 1318 L HA -0.224 4.115 4.340 -0.001 0.000 0.207 1318 L C 2.560 179.478 176.870 0.079 0.000 1.078 1318 L CA 1.931 56.824 54.840 0.089 0.000 0.749 1318 L CB -0.449 41.639 42.059 0.048 0.000 0.901 1318 L HN 0.388 nan 8.230 nan 0.000 0.433 1319 E N -0.032 120.202 120.200 0.058 0.000 2.107 1319 E HA -0.279 4.070 4.350 -0.001 0.000 0.191 1319 E C 1.992 178.613 176.600 0.035 0.000 0.982 1319 E CA 1.175 57.605 56.400 0.049 0.000 0.809 1319 E CB -0.016 29.709 29.700 0.041 0.000 0.756 1319 E HN 0.469 nan 8.360 nan 0.000 0.459 1320 E N 0.060 120.281 120.200 0.035 0.000 2.072 1320 E HA -0.155 4.194 4.350 -0.001 0.000 0.191 1320 E C 2.046 178.662 176.600 0.027 0.000 0.985 1320 E CA 1.245 57.659 56.400 0.024 0.000 0.801 1320 E CB 0.141 29.853 29.700 0.020 0.000 0.750 1320 E HN 0.206 nan 8.360 nan 0.000 0.452 1321 V N 2.186 122.132 119.914 0.053 0.000 2.237 1321 V HA -0.308 3.811 4.120 -0.001 0.000 0.245 1321 V C 2.608 178.724 176.094 0.036 0.000 1.046 1321 V CA 2.502 64.836 62.300 0.057 0.000 1.007 1321 V CB -0.703 31.194 31.823 0.123 0.000 0.638 1321 V HN 0.425 nan 8.190 nan 0.000 0.445 1322 R N 0.064 120.587 120.500 0.039 0.000 2.189 1322 R HA -0.091 4.249 4.340 -0.001 0.000 0.218 1322 R C 2.203 178.486 176.300 -0.029 0.000 1.074 1322 R CA 1.212 57.315 56.100 0.004 0.000 0.991 1322 R CB -0.430 29.868 30.300 -0.004 0.000 0.883 1322 R HN 0.280 nan 8.270 nan 0.000 0.457 1323 R N 1.151 121.640 120.500 -0.018 0.000 2.092 1323 R HA 0.049 4.389 4.340 -0.001 0.000 0.231 1323 R C 2.317 178.604 176.300 -0.021 0.000 1.119 1323 R CA 1.553 57.638 56.100 -0.025 0.000 0.970 1323 R CB -0.416 29.876 30.300 -0.014 0.000 0.864 1323 R HN 0.403 nan 8.270 nan 0.000 0.440 1324 A N 0.663 123.476 122.820 -0.013 0.000 2.125 1324 A HA -0.094 4.225 4.320 -0.001 0.000 0.219 1324 A C 1.682 179.255 177.584 -0.018 0.000 1.156 1324 A CA 1.414 53.442 52.037 -0.015 0.000 0.671 1324 A CB -0.621 18.371 19.000 -0.014 0.000 0.794 1324 A HN 0.508 nan 8.150 nan 0.000 0.459 1325 I N -6.304 114.255 120.570 -0.020 0.000 3.936 1325 I HA 0.583 4.752 4.170 -0.001 0.000 0.330 1325 I C 0.962 177.062 176.117 -0.028 0.000 1.509 1325 I CA 0.353 61.641 61.300 -0.020 0.000 1.126 1325 I CB 0.231 38.222 38.000 -0.014 0.000 1.115 1325 I HN 0.237 nan 8.210 nan 0.000 0.424 1326 G N 1.408 110.187 108.800 -0.035 0.000 2.176 1326 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.253 1326 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.253 1326 G C 0.165 175.026 174.900 -0.065 0.000 0.979 1326 G CA 0.102 45.177 45.100 -0.042 0.000 0.641 1326 G HN 0.310 nan 8.290 nan 0.000 0.530 1327 V N 2.544 122.403 119.914 -0.092 0.000 2.427 1327 V HA 0.571 4.690 4.120 -0.001 0.000 0.268 1327 V C 0.917 176.829 176.094 -0.303 0.000 1.046 1327 V CA 0.655 62.852 62.300 -0.172 0.000 0.970 1327 V CB 0.793 32.507 31.823 -0.182 0.000 1.001 1327 V HN 0.810 nan 8.190 nan 0.000 0.476 1328 T N 2.627 117.010 114.554 -0.285 0.000 2.887 1328 T HA 0.790 5.139 4.350 -0.001 0.000 0.288 1328 T C -0.881 173.634 174.700 -0.309 0.000 1.021 1328 T CA -0.566 61.365 62.100 -0.281 0.000 1.000 1328 T CB 1.567 70.401 68.868 -0.056 0.000 1.034 1328 T HN 0.123 nan 8.240 nan 0.000 0.467 1329 F N 1.644 121.631 119.950 0.063 0.000 2.523 1329 F HA 0.527 5.053 4.527 -0.002 0.000 0.329 1329 F C -1.374 174.422 175.800 -0.006 0.000 1.061 1329 F CA -2.461 55.503 58.000 -0.061 0.000 0.967 1329 F CB 0.901 39.777 39.000 -0.205 0.000 1.218 1329 F HN 0.332 nan 8.300 nan 0.000 0.480 1330 P HA -0.276 nan 4.420 nan 0.000 0.221 1330 P C 0.949 178.296 177.300 0.077 0.000 1.160 1330 P CA 1.921 65.088 63.100 0.112 0.000 0.933 1330 P CB 0.073 31.782 31.700 0.016 0.000 0.793 1331 Q N -0.588 119.241 119.800 0.049 0.000 2.515 1331 Q HA -0.079 4.260 4.340 -0.001 0.000 0.215 1331 Q C 0.737 176.768 176.000 0.052 0.000 0.983 1331 Q CA 0.763 56.584 55.803 0.030 0.000 0.905 1331 Q CB -0.771 27.962 28.738 -0.008 0.000 0.961 1331 Q HN 0.488 nan 8.270 nan 0.000 0.503 1332 D N 0.000 120.446 120.400 0.077 0.000 6.856 1332 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 1332 D CA 0.000 54.036 54.000 0.059 0.000 0.868 1332 D CB 0.000 40.836 40.800 0.060 0.000 0.688 1332 D HN 0.000 nan 8.370 nan 0.000 0.683