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 2o48_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 0.000 177.514 177.584 -0.117 0.000 1.274 1002 A CA 0.000 51.985 52.037 -0.086 0.000 0.836 1002 A CB 0.000 18.983 19.000 -0.028 0.000 0.831 1003 L N 2.181 123.287 121.223 -0.195 0.000 2.500 1003 L HA 0.400 4.740 4.340 -0.001 0.000 0.272 1003 L C 0.492 177.273 176.870 -0.147 0.000 1.149 1003 L CA 0.771 55.460 54.840 -0.252 0.000 0.897 1003 L CB -0.160 41.677 42.059 -0.370 0.000 1.178 1003 L HN 0.588 nan 8.230 nan 0.000 0.473 1004 R N 4.985 125.388 120.500 -0.162 0.000 2.198 1004 R HA 0.225 4.565 4.340 -0.001 0.000 0.339 1004 R C -1.333 174.930 176.300 -0.062 0.000 1.020 1004 R CA -0.331 55.751 56.100 -0.031 0.000 0.864 1004 R CB 0.544 30.834 30.300 -0.016 0.000 1.105 1004 R HN 0.584 nan 8.270 nan 0.000 0.463 1005 W N 1.297 122.630 121.300 0.055 0.000 2.417 1005 W HA 0.459 5.119 4.660 -0.001 0.000 0.317 1005 W C 0.689 177.266 176.519 0.097 0.000 1.121 1005 W CA -0.338 57.059 57.345 0.087 0.000 1.208 1005 W CB 1.765 31.280 29.460 0.091 0.000 1.253 1005 W HN 0.571 nan 8.180 nan 0.000 0.533 1006 G N 3.667 112.687 108.800 0.366 0.000 2.461 1006 G HA2 0.668 4.628 3.960 -0.001 0.000 0.323 1006 G HA3 0.668 4.628 3.960 -0.001 0.000 0.323 1006 G C -1.387 173.698 174.900 0.308 0.000 1.229 1006 G CA -0.751 44.521 45.100 0.287 0.000 0.941 1006 G HN 0.296 nan 8.290 nan 0.000 0.477 1007 I N 2.569 123.280 120.570 0.234 0.000 2.330 1007 I HA 0.236 4.405 4.170 -0.001 0.000 0.289 1007 I C -0.178 175.971 176.117 0.054 0.000 1.001 1007 I CA -0.822 60.600 61.300 0.204 0.000 1.193 1007 I CB 1.348 39.428 38.000 0.134 0.000 1.345 1007 I HN 0.018 nan 8.210 nan 0.000 0.461 1008 V N 5.916 125.810 119.914 -0.034 0.000 2.350 1008 V HA 0.543 4.663 4.120 -0.001 0.000 0.276 1008 V C 0.339 176.242 176.094 -0.318 0.000 1.028 1008 V CA -0.083 62.046 62.300 -0.285 0.000 0.860 1008 V CB 0.973 32.509 31.823 -0.478 0.000 0.990 1008 V HN 1.021 nan 8.190 nan 0.000 0.453 1009 S N 4.175 119.741 115.700 -0.222 0.000 3.054 1009 S HA -0.085 4.384 4.470 -0.001 0.000 0.850 1009 S C -0.259 174.214 174.600 -0.211 0.000 0.982 1009 S CA 0.111 58.253 58.200 -0.096 0.000 1.324 1009 S CB -0.386 62.755 63.200 -0.099 0.000 0.940 1009 S HN 2.119 nan 8.310 nan 0.000 0.242 1010 V N 1.955 121.759 119.914 -0.184 0.000 2.838 1010 V HA 0.790 4.910 4.120 -0.001 0.000 0.363 1010 V C 1.072 177.160 176.094 -0.010 0.000 1.324 1010 V CA 0.621 62.693 62.300 -0.380 0.000 1.220 1010 V CB 0.109 31.721 31.823 -0.351 0.000 1.328 1010 V HN 1.401 nan 8.190 nan 0.000 0.595 1011 G N -0.144 108.684 108.800 0.046 0.000 2.532 1011 G HA2 0.494 4.454 3.960 -0.001 0.000 0.291 1011 G HA3 0.494 4.454 3.960 -0.001 0.000 0.291 1011 G C 0.609 175.626 174.900 0.195 0.000 1.349 1011 G CA -0.657 44.519 45.100 0.127 0.000 1.038 1011 G HN 0.274 nan 8.290 nan 0.000 0.518 1012 L N -0.521 120.819 121.223 0.196 0.000 2.013 1012 L HA -0.150 4.190 4.340 -0.001 0.000 0.212 1012 L C 2.739 179.798 176.870 0.314 0.000 1.073 1012 L CA 1.209 56.166 54.840 0.195 0.000 0.753 1012 L CB -0.362 41.755 42.059 0.097 0.000 0.890 1012 L HN 0.471 nan 8.230 nan 0.000 0.432 1013 I N -0.875 119.952 120.570 0.428 0.000 2.394 1013 I HA -0.251 3.918 4.170 -0.001 0.000 0.251 1013 I C 2.509 178.808 176.117 0.303 0.000 1.136 1013 I CA 0.963 62.505 61.300 0.403 0.000 1.425 1013 I CB 0.154 38.289 38.000 0.225 0.000 1.079 1013 I HN 0.226 nan 8.210 nan 0.000 0.425 1014 S N 0.434 116.304 115.700 0.284 0.000 2.383 1014 S HA -0.172 4.297 4.470 -0.001 0.000 0.229 1014 S C 2.058 176.825 174.600 0.278 0.000 1.030 1014 S CA 1.626 59.998 58.200 0.286 0.000 1.002 1014 S CB -0.138 63.118 63.200 0.095 0.000 0.829 1014 S HN 0.490 nan 8.310 nan 0.000 0.467 1015 S N 1.793 117.691 115.700 0.329 0.000 2.353 1015 S HA -0.155 4.315 4.470 -0.001 0.000 0.222 1015 S C 1.596 176.220 174.600 0.040 0.000 1.035 1015 S CA 1.492 59.811 58.200 0.199 0.000 1.025 1015 S CB -0.611 62.747 63.200 0.262 0.000 0.902 1015 S HN 0.458 nan 8.310 nan 0.000 0.440 1016 D N 0.461 120.927 120.400 0.111 0.000 2.123 1016 D HA -0.068 4.572 4.640 -0.001 0.000 0.196 1016 D C 1.556 177.853 176.300 -0.005 0.000 0.992 1016 D CA 0.822 54.867 54.000 0.075 0.000 0.833 1016 D CB -0.336 40.559 40.800 0.159 0.000 0.954 1016 D HN 0.303 nan 8.370 nan 0.000 0.455 1017 F N 1.111 120.940 119.950 -0.202 0.000 2.146 1017 F HA -0.130 4.396 4.527 -0.000 0.000 0.298 1017 F C 2.369 177.901 175.800 -0.446 0.000 1.096 1017 F CA 1.168 58.906 58.000 -0.437 0.000 1.275 1017 F CB -0.578 37.907 39.000 -0.859 0.000 1.008 1017 F HN -0.127 nan 8.300 nan 0.000 0.480 1018 T N 0.337 114.692 114.554 -0.332 0.000 2.746 1018 T HA -0.140 4.209 4.350 -0.001 0.000 0.267 1018 T C 2.234 176.709 174.700 -0.376 0.000 1.039 1018 T CA 1.330 63.196 62.100 -0.390 0.000 1.142 1018 T CB -0.755 67.947 68.868 -0.277 0.000 0.866 1018 T HN 0.314 nan 8.240 nan 0.000 0.444 1019 A N 0.881 123.534 122.820 -0.278 0.000 1.908 1019 A HA -0.065 4.255 4.320 -0.001 0.000 0.218 1019 A C 2.570 180.017 177.584 -0.227 0.000 1.181 1019 A CA 1.397 53.344 52.037 -0.150 0.000 0.627 1019 A CB -0.991 17.990 19.000 -0.032 0.000 0.818 1019 A HN 0.362 nan 8.150 nan 0.000 0.445 1020 V N -0.032 119.689 119.914 -0.322 0.000 2.307 1020 V HA -0.229 3.891 4.120 -0.001 0.000 0.245 1020 V C 2.546 178.343 176.094 -0.496 0.000 1.045 1020 V CA 1.832 63.911 62.300 -0.368 0.000 1.024 1020 V CB -0.694 30.901 31.823 -0.380 0.000 0.651 1020 V HN 0.574 nan 8.190 nan 0.000 0.449 1021 L N -0.203 120.585 121.223 -0.724 0.000 2.079 1021 L HA -0.201 4.139 4.340 -0.001 0.000 0.210 1021 L C 2.521 179.143 176.870 -0.412 0.000 1.081 1021 L CA 1.281 55.670 54.840 -0.752 0.000 0.752 1021 L CB -0.520 40.956 42.059 -0.971 0.000 0.896 1021 L HN 0.380 nan 8.230 nan 0.000 0.433 1022 Q N -0.629 118.990 119.800 -0.302 0.000 2.515 1022 Q HA -0.078 4.261 4.340 -0.001 0.000 0.212 1022 Q C 1.816 177.732 176.000 -0.141 0.000 0.970 1022 Q CA 1.336 57.038 55.803 -0.168 0.000 0.941 1022 Q CB -0.227 28.444 28.738 -0.111 0.000 0.998 1022 Q HN 0.606 nan 8.270 nan 0.000 0.518 1023 T N -3.631 110.814 114.554 -0.182 0.000 3.069 1023 T HA 0.292 4.642 4.350 -0.001 0.000 0.252 1023 T C 0.845 175.466 174.700 -0.132 0.000 1.053 1023 T CA -0.191 61.825 62.100 -0.140 0.000 0.964 1023 T CB 0.125 68.906 68.868 -0.144 0.000 1.005 1023 T HN -0.028 nan 8.240 nan 0.000 0.532 1024 L N 1.347 122.475 121.223 -0.158 0.000 2.439 1024 L HA 0.492 4.831 4.340 -0.001 0.000 0.259 1024 L C -2.275 174.594 176.870 -0.003 0.000 1.129 1024 L CA -2.801 51.973 54.840 -0.109 0.000 0.803 1024 L CB 0.247 42.167 42.059 -0.232 0.000 1.161 1024 L HN -0.103 nan 8.230 nan 0.000 0.462 1025 P HA 0.056 nan 4.420 nan 0.000 0.264 1025 P C -0.169 177.170 177.300 0.064 0.000 1.193 1025 P CA 0.070 63.196 63.100 0.044 0.000 0.763 1025 P CB 0.416 32.144 31.700 0.047 0.000 0.810 1026 R N 1.483 122.004 120.500 0.035 0.000 2.235 1026 R HA -0.058 4.281 4.340 -0.001 0.000 0.213 1026 R C 1.674 177.991 176.300 0.029 0.000 1.059 1026 R CA 1.385 57.507 56.100 0.035 0.000 0.997 1026 R CB -0.539 29.770 30.300 0.016 0.000 0.884 1026 R HN 0.513 nan 8.270 nan 0.000 0.462 1027 S N 0.385 116.095 115.700 0.016 0.000 2.558 1027 S HA 0.029 4.499 4.470 -0.001 0.000 0.217 1027 S C 1.402 175.985 174.600 -0.027 0.000 0.975 1027 S CA 0.191 58.389 58.200 -0.004 0.000 0.912 1027 S CB 0.245 63.441 63.200 -0.007 0.000 0.776 1027 S HN 0.355 nan 8.310 nan 0.000 0.526 1028 E N 0.357 120.551 120.200 -0.011 0.000 2.201 1028 E HA 0.164 4.513 4.350 -0.001 0.000 0.193 1028 E C -0.070 176.336 176.600 -0.324 0.000 0.957 1028 E CA 0.435 56.767 56.400 -0.113 0.000 0.858 1028 E CB 0.205 29.908 29.700 0.005 0.000 0.816 1028 E HN 0.601 nan 8.360 nan 0.000 0.475 1029 H N 0.116 119.223 119.070 0.061 0.000 2.856 1029 H HA 0.392 4.948 4.556 -0.001 0.000 0.355 1029 H C -0.926 174.468 175.328 0.111 0.000 1.079 1029 H CA -0.463 55.673 56.048 0.146 0.000 1.240 1029 H CB 1.680 31.520 29.762 0.130 0.000 1.701 1029 H HN -0.038 nan 8.280 nan 0.000 0.527 1030 Q N 1.598 121.558 119.800 0.266 0.000 2.347 1030 Q HA 0.415 4.755 4.340 -0.001 0.000 0.271 1030 Q C -0.945 175.195 176.000 0.233 0.000 1.064 1030 Q CA -0.900 55.008 55.803 0.174 0.000 0.800 1030 Q CB 3.510 32.309 28.738 0.102 0.000 1.304 1030 Q HN 0.317 nan 8.270 nan 0.000 0.438 1031 V N 2.985 122.987 119.914 0.147 0.000 2.364 1031 V HA 0.190 4.310 4.120 -0.001 0.000 0.272 1031 V C 0.193 176.365 176.094 0.131 0.000 1.036 1031 V CA -0.167 62.226 62.300 0.155 0.000 0.880 1031 V CB 1.282 33.143 31.823 0.064 0.000 0.991 1031 V HN 0.752 nan 8.190 nan 0.000 0.460 1032 V N 3.461 123.468 119.914 0.154 0.000 3.539 1032 V HA 0.611 4.730 4.120 -0.001 0.000 0.262 1032 V C 0.657 176.819 176.094 0.114 0.000 1.381 1032 V CA 1.094 63.465 62.300 0.118 0.000 1.060 1032 V CB 0.929 32.822 31.823 0.118 0.000 0.842 1032 V HN 0.933 nan 8.190 nan 0.000 0.445 1033 A N -0.736 122.175 122.820 0.151 0.000 2.599 1033 A HA 0.816 5.136 4.320 -0.001 0.000 0.290 1033 A C -1.859 175.829 177.584 0.174 0.000 1.101 1033 A CA -0.244 51.880 52.037 0.146 0.000 0.674 1033 A CB 2.268 21.430 19.000 0.270 0.000 1.277 1033 A HN 0.390 nan 8.150 nan 0.000 0.419 1034 V N -0.417 119.589 119.914 0.154 0.000 2.891 1034 V HA 0.817 4.937 4.120 -0.001 0.000 0.304 1034 V C -0.737 175.470 176.094 0.188 0.000 1.171 1034 V CA 0.306 62.691 62.300 0.142 0.000 0.943 1034 V CB 1.710 33.604 31.823 0.118 0.000 1.037 1034 V HN 2.317 nan 8.190 nan 0.000 0.427 1035 A N 4.726 127.658 122.820 0.187 0.000 2.374 1035 A HA 1.081 5.400 4.320 -0.001 0.000 0.317 1035 A C -0.247 177.488 177.584 0.251 0.000 1.094 1035 A CA 0.017 52.226 52.037 0.285 0.000 0.765 1035 A CB 1.900 21.130 19.000 0.383 0.000 1.268 1035 A HN 2.234 nan 8.150 nan 0.000 0.438 1036 A N 0.672 123.638 122.820 0.242 0.000 2.524 1036 A HA 0.736 5.055 4.320 -0.001 0.000 0.286 1036 A C 0.434 178.062 177.584 0.073 0.000 1.203 1036 A CA -0.680 51.481 52.037 0.207 0.000 0.736 1036 A CB 0.790 19.849 19.000 0.099 0.000 1.322 1036 A HN 0.769 nan 8.150 nan 0.000 0.424 1037 R N -0.394 120.093 120.500 -0.023 0.000 2.307 1037 R HA 0.063 4.403 4.340 -0.001 0.000 0.199 1037 R C -0.823 175.441 176.300 -0.060 0.000 1.000 1037 R CA 1.305 57.318 56.100 -0.145 0.000 1.023 1037 R CB -0.127 30.059 30.300 -0.191 0.000 0.908 1037 R HN 0.829 nan 8.270 nan 0.000 0.473 1038 D N -2.304 118.095 120.400 -0.002 0.000 2.661 1038 D HA 0.023 4.663 4.640 -0.001 0.000 0.228 1038 D C 0.326 176.652 176.300 0.043 0.000 1.183 1038 D CA -0.783 53.226 54.000 0.014 0.000 0.844 1038 D CB 0.806 41.614 40.800 0.012 0.000 1.555 1038 D HN -0.253 nan 8.370 nan 0.000 0.453 1039 L N 1.666 122.917 121.223 0.047 0.000 2.079 1039 L HA -0.131 4.208 4.340 -0.001 0.000 0.210 1039 L C 1.971 178.875 176.870 0.055 0.000 1.081 1039 L CA 2.662 57.537 54.840 0.059 0.000 0.752 1039 L CB -0.827 41.264 42.059 0.053 0.000 0.896 1039 L HN 0.689 nan 8.230 nan 0.000 0.433 1040 S N -1.002 114.727 115.700 0.048 0.000 2.371 1040 S HA -0.194 4.275 4.470 -0.001 0.000 0.224 1040 S C 2.189 176.829 174.600 0.068 0.000 1.029 1040 S CA 0.848 59.078 58.200 0.050 0.000 0.978 1040 S CB -0.523 62.700 63.200 0.039 0.000 0.833 1040 S HN 0.498 nan 8.310 nan 0.000 0.466 1041 R N 1.194 121.736 120.500 0.071 0.000 2.117 1041 R HA -0.003 4.336 4.340 -0.001 0.000 0.243 1041 R C 2.657 179.035 176.300 0.129 0.000 1.143 1041 R CA 1.476 57.632 56.100 0.093 0.000 0.968 1041 R CB -0.709 29.637 30.300 0.077 0.000 0.863 1041 R HN 0.631 nan 8.270 nan 0.000 0.444 1042 A N 0.938 123.825 122.820 0.110 0.000 1.897 1042 A HA -0.119 4.200 4.320 -0.001 0.000 0.215 1042 A C 1.834 179.503 177.584 0.143 0.000 1.181 1042 A CA 1.080 53.192 52.037 0.126 0.000 0.620 1042 A CB -0.172 18.890 19.000 0.103 0.000 0.821 1042 A HN 0.157 nan 8.150 nan 0.000 0.443 1043 K N -0.405 120.052 120.400 0.095 0.000 2.063 1043 K HA -0.193 4.126 4.320 -0.001 0.000 0.208 1043 K C 2.113 178.771 176.600 0.096 0.000 1.048 1043 K CA 1.534 57.865 56.287 0.074 0.000 0.928 1043 K CB -0.171 32.355 32.500 0.043 0.000 0.713 1043 K HN 0.659 nan 8.250 nan 0.000 0.442 1044 E N 0.312 120.577 120.200 0.107 0.000 2.058 1044 E HA -0.221 4.129 4.350 -0.001 0.000 0.194 1044 E C 1.921 178.607 176.600 0.142 0.000 0.997 1044 E CA 1.183 57.644 56.400 0.101 0.000 0.801 1044 E CB -0.134 29.623 29.700 0.094 0.000 0.746 1044 E HN 0.227 nan 8.360 nan 0.000 0.450 1045 F N 0.990 120.986 119.950 0.077 0.000 2.095 1045 F HA -0.238 4.289 4.527 -0.001 0.000 0.298 1045 F C 2.204 178.091 175.800 0.145 0.000 1.104 1045 F CA 1.832 59.917 58.000 0.143 0.000 1.232 1045 F CB -0.329 38.761 39.000 0.149 0.000 0.987 1045 F HN 0.086 nan 8.300 nan 0.000 0.475 1046 A N -0.515 122.503 122.820 0.330 0.000 1.933 1046 A HA -0.255 4.065 4.320 -0.001 0.000 0.218 1046 A C 2.010 179.634 177.584 0.066 0.000 1.175 1046 A CA 1.782 53.938 52.037 0.199 0.000 0.628 1046 A CB -0.923 18.162 19.000 0.141 0.000 0.814 1046 A HN 0.536 nan 8.150 nan 0.000 0.444 1047 Q N 0.133 119.952 119.800 0.033 0.000 1.967 1047 Q HA -0.180 4.160 4.340 -0.001 0.000 0.202 1047 Q C 2.099 178.048 176.000 -0.085 0.000 0.985 1047 Q CA 2.395 58.186 55.803 -0.019 0.000 0.839 1047 Q CB -0.358 28.372 28.738 -0.014 0.000 0.906 1047 Q HN 0.618 nan 8.270 nan 0.000 0.423 1048 K N -1.272 119.040 120.400 -0.146 0.000 2.160 1048 K HA -0.202 4.117 4.320 -0.001 0.000 0.206 1048 K C 0.997 177.312 176.600 -0.475 0.000 1.047 1048 K CA 1.550 57.645 56.287 -0.320 0.000 0.930 1048 K CB -0.065 32.191 32.500 -0.407 0.000 0.720 1048 K HN 0.427 nan 8.250 nan 0.000 0.450 1049 H N -0.898 118.017 119.070 -0.257 0.000 2.784 1049 H HA 0.036 4.591 4.556 -0.001 0.000 0.273 1049 H C -0.504 174.747 175.328 -0.129 0.000 1.112 1049 H CA 0.347 56.239 56.048 -0.261 0.000 1.162 1049 H CB 0.569 30.060 29.762 -0.451 0.000 1.586 1049 H HN 0.288 nan 8.280 nan 0.000 0.548 1050 D N 0.892 121.289 120.400 -0.005 0.000 2.718 1050 D HA -0.168 4.472 4.640 -0.001 0.000 0.242 1050 D C -0.891 175.429 176.300 0.033 0.000 1.123 1050 D CA 0.230 54.231 54.000 0.002 0.000 0.690 1050 D CB -1.593 39.197 40.800 -0.016 0.000 1.059 1050 D HN 0.353 nan 8.370 nan 0.000 0.429 1051 I N 0.884 121.490 120.570 0.059 0.000 2.362 1051 I HA 0.305 4.474 4.170 -0.001 0.000 0.289 1051 I C -0.979 175.164 176.117 0.043 0.000 0.994 1051 I CA -1.952 59.393 61.300 0.074 0.000 1.158 1051 I CB 1.718 39.801 38.000 0.138 0.000 1.315 1051 I HN -0.106 nan 8.210 nan 0.000 0.451 1052 P HA -0.133 nan 4.420 nan 0.000 0.219 1052 P C 0.130 177.412 177.300 -0.030 0.000 1.146 1052 P CA 1.195 64.297 63.100 0.003 0.000 0.808 1052 P CB 0.277 31.983 31.700 0.011 0.000 0.779 1053 K N -0.296 120.070 120.400 -0.056 0.000 2.427 1053 K HA 0.660 4.979 4.320 -0.001 0.000 0.252 1053 K C -1.665 174.764 176.600 -0.285 0.000 0.931 1053 K CA -0.765 55.407 56.287 -0.191 0.000 0.793 1053 K CB 2.116 34.496 32.500 -0.199 0.000 1.211 1053 K HN -0.102 nan 8.250 nan 0.000 0.426 1054 A N 3.137 125.710 122.820 -0.411 0.000 2.393 1054 A HA 0.751 5.071 4.320 -0.001 0.000 0.306 1054 A C -1.832 175.525 177.584 -0.378 0.000 1.050 1054 A CA -0.536 51.336 52.037 -0.274 0.000 0.724 1054 A CB 0.660 19.617 19.000 -0.071 0.000 1.248 1054 A HN 0.575 nan 8.150 nan 0.000 0.424 1055 Y N -0.161 120.186 120.300 0.077 0.000 2.545 1055 Y HA 0.560 5.110 4.550 -0.001 0.000 0.348 1055 Y C 1.188 177.125 175.900 0.062 0.000 1.002 1055 Y CA -0.257 57.883 58.100 0.067 0.000 1.039 1055 Y CB 2.581 41.087 38.460 0.076 0.000 1.271 1055 Y HN 0.710 nan 8.280 nan 0.000 0.467 1056 G N 0.014 108.947 108.800 0.221 0.000 3.233 1056 G HA2 0.333 4.292 3.960 -0.001 0.000 0.234 1056 G HA3 0.333 4.292 3.960 -0.001 0.000 0.234 1056 G C -0.324 174.607 174.900 0.052 0.000 1.137 1056 G CA 0.347 45.513 45.100 0.111 0.000 0.763 1056 G HN 0.515 nan 8.290 nan 0.000 0.549 1057 S N -1.612 114.135 115.700 0.079 0.000 2.579 1057 S HA 0.493 4.963 4.470 -0.001 0.000 0.272 1057 S C 0.329 174.987 174.600 0.097 0.000 1.141 1057 S CA -0.723 57.464 58.200 -0.022 0.000 0.843 1057 S CB 1.182 64.349 63.200 -0.055 0.000 1.122 1057 S HN -0.041 nan 8.310 nan 0.000 0.468 1058 Y N 0.804 121.098 120.300 -0.009 0.000 2.263 1058 Y HA 0.080 4.629 4.550 -0.001 0.000 0.292 1058 Y C 2.603 178.462 175.900 -0.068 0.000 1.130 1058 Y CA 1.252 59.339 58.100 -0.022 0.000 1.179 1058 Y CB -1.102 37.349 38.460 -0.016 0.000 0.998 1058 Y HN 0.925 nan 8.280 nan 0.000 0.532 1059 E N 1.029 121.272 120.200 0.071 0.000 2.097 1059 E HA -0.236 4.113 4.350 -0.001 0.000 0.196 1059 E C 1.737 178.272 176.600 -0.108 0.000 1.000 1059 E CA 1.988 58.380 56.400 -0.014 0.000 0.804 1059 E CB -0.148 29.537 29.700 -0.024 0.000 0.740 1059 E HN 0.562 nan 8.360 nan 0.000 0.454 1060 E N -0.211 119.875 120.200 -0.191 0.000 2.106 1060 E HA -0.131 4.218 4.350 -0.001 0.000 0.192 1060 E C 2.190 178.302 176.600 -0.814 0.000 0.984 1060 E CA 0.947 57.072 56.400 -0.458 0.000 0.806 1060 E CB -0.161 29.246 29.700 -0.488 0.000 0.750 1060 E HN 0.323 nan 8.360 nan 0.000 0.458 1061 L N 0.615 121.491 121.223 -0.578 0.000 2.027 1061 L HA -0.138 4.202 4.340 -0.001 0.000 0.206 1061 L C 2.383 179.179 176.870 -0.124 0.000 1.074 1061 L CA 1.294 55.965 54.840 -0.281 0.000 0.745 1061 L CB -0.260 41.839 42.059 0.068 0.000 0.898 1061 L HN 0.096 nan 8.230 nan 0.000 0.433 1062 A N -0.186 122.587 122.820 -0.079 0.000 1.927 1062 A HA -0.297 4.023 4.320 -0.001 0.000 0.220 1062 A C 2.248 179.796 177.584 -0.059 0.000 1.185 1062 A CA 2.278 54.289 52.037 -0.043 0.000 0.639 1062 A CB -0.490 18.496 19.000 -0.023 0.000 0.820 1062 A HN 0.495 nan 8.150 nan 0.000 0.451 1063 K N -0.382 119.955 120.400 -0.105 0.000 2.400 1063 K HA -0.003 4.317 4.320 -0.001 0.000 0.194 1063 K C -0.002 176.555 176.600 -0.071 0.000 1.033 1063 K CA 0.109 56.344 56.287 -0.086 0.000 1.021 1063 K CB 0.119 32.563 32.500 -0.092 0.000 0.808 1063 K HN 0.394 nan 8.250 nan 0.000 0.505 1064 D N 2.175 122.523 120.400 -0.086 0.000 2.389 1064 D HA -0.029 4.610 4.640 -0.001 0.000 0.263 1064 D C -1.608 174.708 176.300 0.028 0.000 1.255 1064 D CA -1.507 52.501 54.000 0.013 0.000 0.914 1064 D CB 1.199 42.068 40.800 0.116 0.000 1.116 1064 D HN 0.042 nan 8.370 nan 0.000 0.502 1065 P HA -0.060 nan 4.420 nan 0.000 0.242 1065 P C 0.692 178.005 177.300 0.022 0.000 1.197 1065 P CA 0.411 63.522 63.100 0.017 0.000 0.765 1065 P CB 0.434 32.143 31.700 0.014 0.000 0.936 1066 N N -0.526 118.201 118.700 0.045 0.000 2.416 1066 N HA -0.010 4.730 4.740 -0.001 0.000 0.177 1066 N C 0.193 175.724 175.510 0.036 0.000 1.036 1066 N CA 0.270 53.346 53.050 0.044 0.000 0.901 1066 N CB -0.088 38.439 38.487 0.067 0.000 0.976 1066 N HN -0.102 nan 8.380 nan 0.000 0.444 1067 V N 1.198 121.140 119.914 0.046 0.000 2.555 1067 V HA 0.073 4.192 4.120 -0.001 0.000 0.286 1067 V C 0.886 176.966 176.094 -0.023 0.000 1.044 1067 V CA 0.204 62.523 62.300 0.032 0.000 1.026 1067 V CB 1.455 33.317 31.823 0.064 0.000 0.981 1067 V HN 0.252 nan 8.190 nan 0.000 0.480 1068 E N 2.884 123.037 120.200 -0.080 0.000 2.206 1068 E HA 0.173 4.523 4.350 -0.001 0.000 0.195 1068 E C 0.022 176.521 176.600 -0.170 0.000 0.935 1068 E CA 0.355 56.678 56.400 -0.129 0.000 0.875 1068 E CB 1.298 30.889 29.700 -0.182 0.000 0.841 1068 E HN 0.450 nan 8.360 nan 0.000 0.477 1069 V N 0.572 120.334 119.914 -0.255 0.000 2.709 1069 V HA 0.680 4.799 4.120 -0.001 0.000 0.308 1069 V C -1.618 174.427 176.094 -0.082 0.000 1.062 1069 V CA -0.741 61.391 62.300 -0.280 0.000 0.901 1069 V CB 1.590 33.007 31.823 -0.677 0.000 1.003 1069 V HN 0.125 nan 8.190 nan 0.000 0.425 1070 A N 5.665 128.515 122.820 0.050 0.000 2.292 1070 A HA 0.710 5.029 4.320 -0.001 0.000 0.319 1070 A C -1.306 176.456 177.584 0.298 0.000 1.206 1070 A CA -0.469 51.669 52.037 0.169 0.000 0.835 1070 A CB 0.791 19.829 19.000 0.065 0.000 1.164 1070 A HN 1.215 nan 8.150 nan 0.000 0.505 1071 Y N 3.027 123.495 120.300 0.279 0.000 2.335 1071 Y HA 0.507 5.057 4.550 -0.000 0.000 0.339 1071 Y C -0.761 175.127 175.900 -0.021 0.000 0.987 1071 Y CA -0.611 57.609 58.100 0.200 0.000 1.140 1071 Y CB 1.273 39.909 38.460 0.292 0.000 1.173 1071 Y HN 0.360 nan 8.280 nan 0.000 0.486 1072 V N 6.896 126.420 119.914 -0.649 0.000 2.294 1072 V HA 0.351 4.471 4.120 -0.001 0.000 0.272 1072 V C 0.677 176.241 176.094 -0.884 0.000 1.027 1072 V CA 0.174 62.115 62.300 -0.599 0.000 0.823 1072 V CB 0.951 32.525 31.823 -0.414 0.000 1.030 1072 V HN 1.054 nan 8.190 nan 0.000 0.457 1073 G N 2.728 111.103 108.800 -0.708 0.000 3.690 1073 G HA2 0.160 4.119 3.960 -0.001 0.000 0.283 1073 G HA3 0.160 4.119 3.960 -0.001 0.000 0.283 1073 G C 0.686 175.481 174.900 -0.174 0.000 1.057 1073 G CA 0.439 45.234 45.100 -0.508 0.000 0.821 1073 G HN 0.681 nan 8.290 nan 0.000 0.526 1074 T N -2.033 112.446 114.554 -0.126 0.000 2.698 1074 T HA 0.326 4.675 4.350 -0.001 0.000 0.295 1074 T C 0.451 175.230 174.700 0.132 0.000 1.007 1074 T CA -0.328 61.790 62.100 0.031 0.000 0.980 1074 T CB 0.895 69.803 68.868 0.066 0.000 1.036 1074 T HN 0.233 nan 8.240 nan 0.000 0.526 1075 Q N -0.285 119.538 119.800 0.037 0.000 2.396 1075 Q HA 0.188 4.528 4.340 -0.001 0.000 0.221 1075 Q C 1.556 177.423 176.000 -0.221 0.000 1.025 1075 Q CA -0.472 55.283 55.803 -0.080 0.000 0.946 1075 Q CB 0.450 29.111 28.738 -0.127 0.000 1.224 1075 Q HN 0.828 nan 8.270 nan 0.000 0.539 1076 H N 0.505 119.325 119.070 -0.417 0.000 2.289 1076 H HA -0.165 4.391 4.556 -0.001 0.000 0.294 1076 H C -0.782 174.154 175.328 -0.654 0.000 1.095 1076 H CA 1.290 56.916 56.048 -0.703 0.000 1.256 1076 H CB -0.988 28.485 29.762 -0.481 0.000 1.359 1076 H HN 0.527 nan 8.280 nan 0.000 0.487 1077 P HA -0.068 nan 4.420 nan 0.000 0.229 1077 P C 0.806 178.003 177.300 -0.171 0.000 1.160 1077 P CA 1.074 64.019 63.100 -0.258 0.000 0.777 1077 P CB 0.199 31.749 31.700 -0.250 0.000 0.814 1078 Q N -2.020 117.699 119.800 -0.135 0.000 2.403 1078 Q HA 0.008 4.347 4.340 -0.001 0.000 0.203 1078 Q C 1.599 177.639 176.000 0.067 0.000 0.932 1078 Q CA 0.552 56.349 55.803 -0.009 0.000 0.945 1078 Q CB -0.846 27.925 28.738 0.055 0.000 1.045 1078 Q HN 0.518 nan 8.270 nan 0.000 0.511 1079 H N -0.302 118.732 119.070 -0.059 0.000 2.321 1079 H HA -0.086 4.469 4.556 -0.001 0.000 0.300 1079 H C 1.860 177.147 175.328 -0.068 0.000 1.087 1079 H CA 1.116 57.112 56.048 -0.087 0.000 1.319 1079 H CB 0.309 30.008 29.762 -0.106 0.000 1.379 1079 H HN 0.103 nan 8.280 nan 0.000 0.501 1080 K N 1.137 121.578 120.400 0.069 0.000 2.002 1080 K HA -0.140 4.180 4.320 -0.001 0.000 0.209 1080 K C 2.446 179.059 176.600 0.020 0.000 1.048 1080 K CA 1.155 57.457 56.287 0.025 0.000 0.930 1080 K CB -0.162 32.335 32.500 -0.004 0.000 0.714 1080 K HN 0.219 nan 8.250 nan 0.000 0.438 1081 A N 0.881 123.717 122.820 0.028 0.000 1.972 1081 A HA -0.083 4.236 4.320 -0.001 0.000 0.219 1081 A C 2.261 179.879 177.584 0.057 0.000 1.169 1081 A CA 1.840 53.899 52.037 0.036 0.000 0.635 1081 A CB -0.623 18.399 19.000 0.038 0.000 0.810 1081 A HN 0.519 nan 8.150 nan 0.000 0.446 1082 A N -0.629 122.232 122.820 0.070 0.000 1.897 1082 A HA 0.083 4.402 4.320 -0.001 0.000 0.215 1082 A C 2.203 179.776 177.584 -0.018 0.000 1.181 1082 A CA 1.528 53.592 52.037 0.045 0.000 0.620 1082 A CB -0.841 18.128 19.000 -0.050 0.000 0.821 1082 A HN 0.342 nan 8.150 nan 0.000 0.443 1083 V N 0.318 120.214 119.914 -0.031 0.000 2.287 1083 V HA -0.310 3.809 4.120 -0.001 0.000 0.248 1083 V C 2.704 178.786 176.094 -0.019 0.000 1.053 1083 V CA 2.094 64.369 62.300 -0.042 0.000 1.027 1083 V CB -0.712 31.082 31.823 -0.048 0.000 0.646 1083 V HN 0.506 nan 8.190 nan 0.000 0.447 1084 M N -0.864 118.732 119.600 -0.006 0.000 2.159 1084 M HA -0.144 4.336 4.480 -0.001 0.000 0.263 1084 M C 2.221 178.521 176.300 0.001 0.000 1.063 1084 M CA 1.812 57.110 55.300 -0.003 0.000 1.110 1084 M CB -1.154 31.446 32.600 0.000 0.000 1.374 1084 M HN 0.300 nan 8.290 nan 0.000 0.411 1085 L N -0.721 120.508 121.223 0.011 0.000 2.046 1085 L HA -0.243 4.096 4.340 -0.001 0.000 0.208 1085 L C 2.671 179.543 176.870 0.003 0.000 1.077 1085 L CA 1.053 55.902 54.840 0.015 0.000 0.747 1085 L CB -0.636 41.448 42.059 0.041 0.000 0.896 1085 L HN 0.339 nan 8.230 nan 0.000 0.432 1086 C N -0.355 118.944 119.300 -0.002 0.000 2.429 1086 C HA -0.128 4.332 4.460 -0.001 0.000 0.277 1086 C C 2.724 177.710 174.990 -0.006 0.000 1.262 1086 C CA 0.411 59.424 59.018 -0.007 0.000 1.733 1086 C CB -0.766 26.966 27.740 -0.014 0.000 2.010 1086 C HN 0.426 nan 8.230 nan 0.000 0.483 1087 L N 1.071 122.290 121.223 -0.007 0.000 2.056 1087 L HA -0.098 4.241 4.340 -0.001 0.000 0.207 1087 L C 2.908 179.775 176.870 -0.005 0.000 1.078 1087 L CA 1.466 56.303 54.840 -0.006 0.000 0.749 1087 L CB -0.820 41.233 42.059 -0.010 0.000 0.901 1087 L HN 0.299 nan 8.230 nan 0.000 0.433 1088 A N 0.090 122.907 122.820 -0.006 0.000 1.978 1088 A HA -0.161 4.158 4.320 -0.001 0.000 0.220 1088 A C 2.258 179.838 177.584 -0.007 0.000 1.170 1088 A CA 1.850 53.884 52.037 -0.006 0.000 0.636 1088 A CB -0.528 18.470 19.000 -0.005 0.000 0.810 1088 A HN 0.421 nan 8.150 nan 0.000 0.448 1089 A N -2.278 120.536 122.820 -0.009 0.000 2.308 1089 A HA 0.451 4.770 4.320 -0.001 0.000 0.217 1089 A C 1.601 179.178 177.584 -0.011 0.000 1.216 1089 A CA 1.058 53.088 52.037 -0.012 0.000 0.864 1089 A CB -0.645 18.345 19.000 -0.017 0.000 0.902 1089 A HN 1.882 nan 8.150 nan 0.000 0.499 1090 G N -0.227 108.569 108.800 -0.008 0.000 2.131 1090 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.223 1090 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.223 1090 G C -0.107 174.787 174.900 -0.009 0.000 0.990 1090 G CA 0.124 45.220 45.100 -0.008 0.000 0.671 1090 G HN 0.393 nan 8.290 nan 0.000 0.521 1091 K N 0.438 120.834 120.400 -0.007 0.000 2.130 1091 K HA 0.755 5.074 4.320 -0.001 0.000 0.268 1091 K C 0.702 177.306 176.600 0.007 0.000 0.983 1091 K CA 0.063 56.344 56.287 -0.011 0.000 0.893 1091 K CB 1.711 34.205 32.500 -0.010 0.000 1.066 1091 K HN 0.675 nan 8.250 nan 0.000 0.450 1092 A N 1.742 124.564 122.820 0.003 0.000 2.425 1092 A HA 0.381 4.701 4.320 -0.001 0.000 0.242 1092 A C -0.237 177.400 177.584 0.088 0.000 1.077 1092 A CA -0.354 51.732 52.037 0.083 0.000 0.781 1092 A CB 0.374 19.401 19.000 0.045 0.000 1.020 1092 A HN 0.389 nan 8.150 nan 0.000 0.494 1093 V N 2.224 122.238 119.914 0.167 0.000 2.638 1093 V HA 0.392 4.511 4.120 -0.001 0.000 0.306 1093 V C -0.860 175.343 176.094 0.181 0.000 1.052 1093 V CA -0.467 61.903 62.300 0.116 0.000 0.885 1093 V CB 1.520 33.358 31.823 0.024 0.000 0.999 1093 V HN 0.825 nan 8.190 nan 0.000 0.424 1094 L N 5.509 126.864 121.223 0.221 0.000 2.280 1094 L HA 0.672 5.011 4.340 -0.001 0.000 0.287 1094 L C -0.415 176.439 176.870 -0.027 0.000 1.023 1094 L CA 0.157 55.130 54.840 0.223 0.000 0.819 1094 L CB 0.948 43.285 42.059 0.462 0.000 1.212 1094 L HN 0.851 nan 8.230 nan 0.000 0.420 1095 C N 5.343 124.565 119.300 -0.130 0.000 2.329 1095 C HA 0.532 4.992 4.460 -0.001 0.000 0.329 1095 C C 0.467 175.218 174.990 -0.399 0.000 1.275 1095 C CA -0.681 58.134 59.018 -0.338 0.000 1.726 1095 C CB 0.453 28.034 27.740 -0.264 0.000 2.291 1095 C HN 0.847 nan 8.230 nan 0.000 0.514 1096 E N 3.204 123.019 120.200 -0.643 0.000 2.425 1096 E HA 0.078 4.428 4.350 -0.001 0.000 0.258 1096 E C -0.043 176.368 176.600 -0.315 0.000 1.151 1096 E CA 0.268 56.387 56.400 -0.469 0.000 0.958 1096 E CB 0.602 30.027 29.700 -0.458 0.000 0.968 1096 E HN 0.756 nan 8.360 nan 0.000 0.451 1097 K N 1.785 122.117 120.400 -0.113 0.000 2.144 1097 K HA 0.387 4.707 4.320 -0.001 0.000 0.270 1097 K C -2.481 174.079 176.600 -0.067 0.000 1.005 1097 K CA -1.663 54.577 56.287 -0.078 0.000 0.932 1097 K CB 0.943 33.376 32.500 -0.112 0.000 1.021 1097 K HN 0.067 nan 8.250 nan 0.000 0.462 1098 P HA 0.011 nan 4.420 nan 0.000 0.274 1098 P C 0.731 178.022 177.300 -0.014 0.000 1.231 1098 P CA -0.445 62.555 63.100 -0.167 0.000 0.790 1098 P CB 0.863 32.412 31.700 -0.251 0.000 0.951 1099 M N 1.170 120.761 119.600 -0.016 0.000 2.082 1099 M HA -0.068 4.412 4.480 -0.001 0.000 0.258 1099 M C 0.776 177.150 176.300 0.123 0.000 1.069 1099 M CA 2.347 57.664 55.300 0.029 0.000 1.102 1099 M CB -0.503 32.078 32.600 -0.033 0.000 1.336 1099 M HN 0.553 nan 8.290 nan 0.000 0.404 1100 G N -2.173 106.625 108.800 -0.004 0.000 2.730 1100 G HA2 0.458 4.417 3.960 -0.001 0.000 0.289 1100 G HA3 0.458 4.417 3.960 -0.001 0.000 0.289 1100 G C -0.076 174.743 174.900 -0.136 0.000 1.341 1100 G CA -0.723 44.343 45.100 -0.057 0.000 0.932 1100 G HN -0.002 nan 8.290 nan 0.000 0.481 1101 V N 0.425 120.244 119.914 -0.158 0.000 2.788 1101 V HA 0.093 4.212 4.120 -0.001 0.000 0.251 1101 V C 0.830 176.882 176.094 -0.069 0.000 1.068 1101 V CA 1.799 63.984 62.300 -0.193 0.000 1.090 1101 V CB -0.835 30.832 31.823 -0.261 0.000 0.710 1101 V HN 0.841 nan 8.190 nan 0.000 0.467 1102 N N -1.849 116.831 118.700 -0.034 0.000 3.204 1102 N HA 0.485 5.224 4.740 -0.001 0.000 0.285 1102 N C 0.435 175.943 175.510 -0.004 0.000 1.536 1102 N CA -0.033 53.022 53.050 0.008 0.000 0.832 1102 N CB 1.049 39.558 38.487 0.037 0.000 1.645 1102 N HN -0.137 nan 8.380 nan 0.000 0.586 1103 A N -0.599 122.225 122.820 0.007 0.000 2.015 1103 A HA 0.170 4.489 4.320 -0.001 0.000 0.219 1103 A C 1.957 179.539 177.584 -0.003 0.000 1.163 1103 A CA 1.950 53.987 52.037 0.001 0.000 0.646 1103 A CB -1.395 17.609 19.000 0.006 0.000 0.806 1103 A HN 0.836 nan 8.150 nan 0.000 0.448 1104 A N -0.245 122.574 122.820 -0.001 0.000 1.968 1104 A HA -0.072 4.248 4.320 -0.001 0.000 0.217 1104 A C 1.878 179.457 177.584 -0.009 0.000 1.169 1104 A CA 1.286 53.321 52.037 -0.003 0.000 0.638 1104 A CB -0.384 18.617 19.000 0.001 0.000 0.812 1104 A HN 0.601 nan 8.150 nan 0.000 0.446 1105 E N -0.097 120.095 120.200 -0.014 0.000 2.085 1105 E HA -0.148 4.202 4.350 -0.001 0.000 0.194 1105 E C 2.005 178.594 176.600 -0.019 0.000 0.994 1105 E CA 1.481 57.870 56.400 -0.019 0.000 0.801 1105 E CB -0.297 29.384 29.700 -0.031 0.000 0.743 1105 E HN 0.430 nan 8.360 nan 0.000 0.453 1106 V N 1.389 121.291 119.914 -0.020 0.000 2.295 1106 V HA -0.255 3.865 4.120 -0.001 0.000 0.246 1106 V C 2.262 178.343 176.094 -0.020 0.000 1.049 1106 V CA 1.749 64.036 62.300 -0.022 0.000 1.024 1106 V CB -0.544 31.265 31.823 -0.022 0.000 0.648 1106 V HN 0.208 nan 8.190 nan 0.000 0.447 1107 R N -0.002 120.489 120.500 -0.015 0.000 2.120 1107 R HA -0.211 4.129 4.340 -0.001 0.000 0.234 1107 R C 2.351 178.642 176.300 -0.015 0.000 1.123 1107 R CA 1.704 57.796 56.100 -0.014 0.000 0.975 1107 R CB -0.313 29.981 30.300 -0.009 0.000 0.866 1107 R HN 0.713 nan 8.270 nan 0.000 0.446 1108 E N 0.859 121.050 120.200 -0.014 0.000 2.112 1108 E HA -0.130 4.220 4.350 -0.001 0.000 0.190 1108 E C 1.956 178.546 176.600 -0.017 0.000 0.979 1108 E CA 0.684 57.076 56.400 -0.013 0.000 0.814 1108 E CB 0.092 29.786 29.700 -0.010 0.000 0.762 1108 E HN 0.263 nan 8.360 nan 0.000 0.460 1109 M N 0.271 119.859 119.600 -0.021 0.000 2.132 1109 M HA -0.126 4.353 4.480 -0.001 0.000 0.263 1109 M C 2.343 178.624 176.300 -0.033 0.000 1.065 1109 M CA 0.988 56.272 55.300 -0.026 0.000 1.122 1109 M CB -0.012 32.569 32.600 -0.031 0.000 1.365 1109 M HN 0.042 nan 8.290 nan 0.000 0.411 1110 V N 0.127 120.021 119.914 -0.034 0.000 2.343 1110 V HA -0.243 3.877 4.120 -0.001 0.000 0.247 1110 V C 2.321 178.397 176.094 -0.031 0.000 1.051 1110 V CA 2.212 64.489 62.300 -0.039 0.000 1.036 1110 V CB -1.018 30.784 31.823 -0.035 0.000 0.654 1110 V HN 0.512 nan 8.190 nan 0.000 0.451 1111 T N -0.510 114.031 114.554 -0.022 0.000 2.746 1111 T HA -0.220 4.129 4.350 -0.001 0.000 0.267 1111 T C 1.895 176.585 174.700 -0.016 0.000 1.039 1111 T CA 1.800 63.890 62.100 -0.017 0.000 1.142 1111 T CB -0.166 68.694 68.868 -0.012 0.000 0.866 1111 T HN 0.551 nan 8.240 nan 0.000 0.444 1112 E N 1.602 121.791 120.200 -0.017 0.000 2.031 1112 E HA -0.059 4.291 4.350 -0.001 0.000 0.193 1112 E C 2.294 178.884 176.600 -0.016 0.000 0.994 1112 E CA 1.433 57.824 56.400 -0.015 0.000 0.800 1112 E CB -0.628 29.064 29.700 -0.014 0.000 0.752 1112 E HN 0.393 nan 8.360 nan 0.000 0.447 1113 A N 0.712 123.518 122.820 -0.025 0.000 1.892 1113 A HA -0.256 4.064 4.320 -0.001 0.000 0.218 1113 A C 2.297 179.868 177.584 -0.021 0.000 1.188 1113 A CA 2.035 54.055 52.037 -0.028 0.000 0.631 1113 A CB -0.621 18.346 19.000 -0.054 0.000 0.822 1113 A HN 0.241 nan 8.150 nan 0.000 0.447 1114 R N -0.356 120.131 120.500 -0.022 0.000 2.075 1114 R HA -0.096 4.243 4.340 -0.001 0.000 0.232 1114 R C 2.666 178.961 176.300 -0.008 0.000 1.126 1114 R CA 1.616 57.707 56.100 -0.016 0.000 0.963 1114 R CB -0.281 30.010 30.300 -0.016 0.000 0.858 1114 R HN 0.724 nan 8.270 nan 0.000 0.435 1115 S N 0.086 115.781 115.700 -0.008 0.000 2.461 1115 S HA -0.046 4.424 4.470 -0.001 0.000 0.228 1115 S C 1.724 176.322 174.600 -0.003 0.000 1.005 1115 S CA 0.549 58.746 58.200 -0.005 0.000 0.942 1115 S CB 0.085 63.282 63.200 -0.005 0.000 0.776 1115 S HN 0.220 nan 8.310 nan 0.000 0.514 1116 R N 0.421 120.919 120.500 -0.003 0.000 2.334 1116 R HA 0.283 4.623 4.340 -0.001 0.000 0.216 1116 R C 1.243 177.545 176.300 0.003 0.000 0.905 1116 R CA 0.396 56.496 56.100 -0.001 0.000 1.064 1116 R CB -0.041 30.257 30.300 -0.002 0.000 1.046 1116 R HN 0.558 nan 8.270 nan 0.000 0.508 1117 G N 1.557 110.360 108.800 0.005 0.000 2.221 1117 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.265 1117 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.265 1117 G C -0.176 174.739 174.900 0.025 0.000 1.041 1117 G CA 0.101 45.208 45.100 0.012 0.000 0.807 1117 G HN 0.178 nan 8.290 nan 0.000 0.502 1118 L N -0.929 120.310 121.223 0.027 0.000 2.362 1118 L HA 0.655 4.994 4.340 -0.001 0.000 0.271 1118 L C 0.483 177.401 176.870 0.080 0.000 1.002 1118 L CA -1.453 53.419 54.840 0.052 0.000 0.818 1118 L CB 1.682 43.760 42.059 0.032 0.000 1.298 1118 L HN 0.123 nan 8.230 nan 0.000 0.420 1119 F N 3.719 123.651 119.950 -0.029 0.000 2.543 1119 F HA 0.338 4.865 4.527 0.000 0.000 0.375 1119 F C -0.506 175.285 175.800 -0.015 0.000 1.075 1119 F CA 0.049 58.036 58.000 -0.021 0.000 1.225 1119 F CB 0.586 39.563 39.000 -0.039 0.000 1.099 1119 F HN 0.263 nan 8.300 nan 0.000 0.561 1120 L N 8.518 129.354 121.223 -0.644 0.000 2.408 1120 L HA 0.646 4.985 4.340 -0.001 0.000 0.268 1120 L C -1.530 174.915 176.870 -0.708 0.000 0.986 1120 L CA -0.748 53.826 54.840 -0.443 0.000 0.820 1120 L CB 1.851 43.779 42.059 -0.219 0.000 1.303 1120 L HN 0.822 nan 8.230 nan 0.000 0.411 1121 M N 3.204 122.593 119.600 -0.352 0.000 2.421 1121 M HA 0.438 4.918 4.480 -0.001 0.000 0.287 1121 M C -1.396 174.900 176.300 -0.007 0.000 1.183 1121 M CA -0.487 54.718 55.300 -0.158 0.000 0.916 1121 M CB 2.144 34.776 32.600 0.053 0.000 1.701 1121 M HN 0.791 nan 8.290 nan 0.000 0.470 1122 E N 2.357 122.568 120.200 0.019 0.000 2.313 1122 E HA 0.499 4.848 4.350 -0.001 0.000 0.276 1122 E C -0.599 176.071 176.600 0.117 0.000 1.031 1122 E CA -0.169 56.245 56.400 0.023 0.000 0.857 1122 E CB 1.345 31.049 29.700 0.008 0.000 1.040 1122 E HN 0.722 nan 8.360 nan 0.000 0.408 1123 A N 6.649 129.517 122.820 0.081 0.000 3.118 1123 A HA 0.208 4.528 4.320 -0.001 0.000 0.256 1123 A C 0.095 177.849 177.584 0.283 0.000 1.667 1123 A CA -0.320 51.825 52.037 0.181 0.000 1.338 1123 A CB -0.666 18.375 19.000 0.067 0.000 1.127 1123 A HN 0.640 nan 8.150 nan 0.000 0.634 1124 I N 2.528 123.301 120.570 0.338 0.000 2.270 1124 I HA -0.028 4.141 4.170 -0.001 0.000 0.300 1124 I C 1.303 177.767 176.117 0.578 0.000 1.186 1124 I CA -0.461 61.054 61.300 0.359 0.000 1.431 1124 I CB 0.073 38.174 38.000 0.168 0.000 1.485 1124 I HN 0.886 nan 8.210 nan 0.000 0.650 1125 W N 3.784 125.328 121.300 0.408 0.000 2.392 1125 W HA -0.116 4.543 4.660 -0.002 0.000 0.279 1125 W C 1.534 178.442 176.519 0.648 0.000 1.225 1125 W CA 0.922 58.615 57.345 0.579 0.000 1.233 1125 W CB -1.952 27.827 29.460 0.531 0.000 1.122 1125 W HN 0.302 nan 8.180 nan 0.000 0.561 1126 T N 2.041 116.659 114.554 0.106 0.000 2.737 1126 T HA -0.238 4.112 4.350 -0.001 0.000 0.269 1126 T C 1.867 176.536 174.700 -0.052 0.000 1.040 1126 T CA 2.242 64.204 62.100 -0.230 0.000 1.142 1126 T CB -0.374 68.410 68.868 -0.140 0.000 0.861 1126 T HN 0.137 nan 8.240 nan 0.000 0.456 1127 R N 0.268 120.699 120.500 -0.115 0.000 2.193 1127 R HA -0.000 4.339 4.340 -0.001 0.000 0.229 1127 R C 1.546 177.491 176.300 -0.591 0.000 1.110 1127 R CA 0.966 56.796 56.100 -0.449 0.000 0.988 1127 R CB -0.488 29.333 30.300 -0.797 0.000 0.871 1127 R HN 0.486 nan 8.270 nan 0.000 0.458 1128 F N -1.028 118.979 119.950 0.095 0.000 2.727 1128 F HA 0.198 4.725 4.527 -0.001 0.000 0.302 1128 F C 0.644 176.334 175.800 -0.183 0.000 1.097 1128 F CA -0.589 57.413 58.000 0.004 0.000 1.330 1128 F CB -0.170 38.897 39.000 0.113 0.000 1.084 1128 F HN -0.214 nan 8.300 nan 0.000 0.578 1129 F N 2.316 122.103 119.950 -0.272 0.000 2.538 1129 F HA 0.106 4.632 4.527 -0.001 0.000 0.371 1129 F C -1.079 174.338 175.800 -0.638 0.000 1.087 1129 F CA -1.781 55.882 58.000 -0.561 0.000 1.250 1129 F CB 0.311 39.065 39.000 -0.410 0.000 1.110 1129 F HN -0.176 nan 8.300 nan 0.000 0.570 1130 P HA -0.306 nan 4.420 nan 0.000 0.216 1130 P C 1.294 177.997 177.300 -0.996 0.000 1.154 1130 P CA 2.294 64.985 63.100 -0.682 0.000 0.865 1130 P CB 0.024 31.405 31.700 -0.531 0.000 0.789 1131 A N -0.986 121.232 122.820 -1.003 0.000 1.978 1131 A HA -0.184 4.135 4.320 -0.001 0.000 0.220 1131 A C 2.334 179.642 177.584 -0.460 0.000 1.170 1131 A CA 2.170 53.680 52.037 -0.878 0.000 0.636 1131 A CB -1.436 17.331 19.000 -0.389 0.000 0.810 1131 A HN 0.156 nan 8.150 nan 0.000 0.448 1132 S N -0.867 114.630 115.700 -0.338 0.000 2.387 1132 S HA -0.106 4.363 4.470 -0.001 0.000 0.226 1132 S C 1.869 176.321 174.600 -0.247 0.000 1.026 1132 S CA 1.317 59.371 58.200 -0.243 0.000 0.972 1132 S CB -0.166 62.907 63.200 -0.211 0.000 0.814 1132 S HN 0.717 nan 8.310 nan 0.000 0.477 1133 E N 1.344 121.373 120.200 -0.286 0.000 2.051 1133 E HA -0.077 4.273 4.350 -0.001 0.000 0.192 1133 E C 2.194 178.675 176.600 -0.198 0.000 0.991 1133 E CA 1.051 57.315 56.400 -0.226 0.000 0.799 1133 E CB -0.247 29.325 29.700 -0.214 0.000 0.748 1133 E HN 0.471 nan 8.360 nan 0.000 0.449 1134 A N 0.544 123.202 122.820 -0.270 0.000 1.933 1134 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 1134 A C 2.117 179.636 177.584 -0.107 0.000 1.175 1134 A CA 1.287 53.229 52.037 -0.157 0.000 0.628 1134 A CB -0.602 18.310 19.000 -0.147 0.000 0.814 1134 A HN 0.342 nan 8.150 nan 0.000 0.444 1135 L N -0.040 121.098 121.223 -0.142 0.000 2.017 1135 L HA -0.123 4.217 4.340 -0.001 0.000 0.208 1135 L C 2.379 179.180 176.870 -0.114 0.000 1.073 1135 L CA 1.952 56.730 54.840 -0.104 0.000 0.745 1135 L CB -0.567 41.438 42.059 -0.090 0.000 0.894 1135 L HN 0.343 nan 8.230 nan 0.000 0.432 1136 R N -0.844 119.573 120.500 -0.138 0.000 2.127 1136 R HA -0.163 4.177 4.340 -0.001 0.000 0.238 1136 R C 2.518 178.764 176.300 -0.090 0.000 1.134 1136 R CA 1.394 57.416 56.100 -0.130 0.000 0.975 1136 R CB -0.668 29.552 30.300 -0.134 0.000 0.865 1136 R HN 0.556 nan 8.270 nan 0.000 0.447 1137 S N 0.350 116.006 115.700 -0.074 0.000 2.371 1137 S HA -0.076 4.394 4.470 -0.001 0.000 0.224 1137 S C 2.076 176.655 174.600 -0.035 0.000 1.029 1137 S CA 0.951 59.124 58.200 -0.045 0.000 0.978 1137 S CB -0.079 63.103 63.200 -0.030 0.000 0.833 1137 S HN 0.103 nan 8.310 nan 0.000 0.466 1138 V N 2.361 122.253 119.914 -0.037 0.000 2.282 1138 V HA -0.200 3.919 4.120 -0.001 0.000 0.249 1138 V C 2.479 178.549 176.094 -0.040 0.000 1.057 1138 V CA 2.148 64.430 62.300 -0.030 0.000 1.032 1138 V CB -0.762 31.043 31.823 -0.029 0.000 0.645 1138 V HN 0.496 nan 8.190 nan 0.000 0.447 1139 L N -0.017 121.168 121.223 -0.063 0.000 2.017 1139 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 1139 L C 2.717 179.560 176.870 -0.045 0.000 1.073 1139 L CA 1.642 56.442 54.840 -0.067 0.000 0.745 1139 L CB -0.870 41.125 42.059 -0.107 0.000 0.894 1139 L HN 0.357 nan 8.230 nan 0.000 0.432 1140 A N -0.699 122.095 122.820 -0.043 0.000 2.024 1140 A HA -0.262 4.057 4.320 -0.001 0.000 0.220 1140 A C 2.181 179.754 177.584 -0.017 0.000 1.164 1140 A CA 1.689 53.709 52.037 -0.028 0.000 0.643 1140 A CB -0.405 18.579 19.000 -0.026 0.000 0.806 1140 A HN 0.421 nan 8.150 nan 0.000 0.451 1141 Q N -1.758 118.032 119.800 -0.017 0.000 2.425 1141 Q HA 0.296 4.636 4.340 -0.001 0.000 0.204 1141 Q C 1.028 177.024 176.000 -0.008 0.000 0.933 1141 Q CA 0.814 56.611 55.803 -0.009 0.000 0.939 1141 Q CB 0.069 28.802 28.738 -0.007 0.000 1.044 1141 Q HN 0.886 nan 8.270 nan 0.000 0.513 1142 G N -0.579 108.214 108.800 -0.011 0.000 2.176 1142 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.252 1142 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.252 1142 G C 0.731 175.627 174.900 -0.007 0.000 1.024 1142 G CA 0.655 45.750 45.100 -0.007 0.000 0.755 1142 G HN 0.390 nan 8.290 nan 0.000 0.507 1143 T N 0.260 114.808 114.554 -0.010 0.000 2.904 1143 T HA 0.080 4.429 4.350 -0.001 0.000 0.267 1143 T C 2.287 176.983 174.700 -0.007 0.000 1.059 1143 T CA 1.256 63.352 62.100 -0.007 0.000 1.137 1143 T CB -0.073 68.790 68.868 -0.008 0.000 0.879 1143 T HN 0.425 nan 8.240 nan 0.000 0.467 1144 L N 0.591 121.808 121.223 -0.011 0.000 2.591 1144 L HA 0.315 4.654 4.340 -0.001 0.000 0.228 1144 L C 1.554 178.422 176.870 -0.003 0.000 1.133 1144 L CA -0.240 54.595 54.840 -0.009 0.000 0.880 1144 L CB -1.133 40.917 42.059 -0.015 0.000 1.033 1144 L HN 0.384 nan 8.230 nan 0.000 0.450 1145 G N 0.571 109.371 108.800 -0.001 0.000 2.642 1145 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.231 1145 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.231 1145 G C -0.695 174.209 174.900 0.005 0.000 1.338 1145 G CA -0.555 44.547 45.100 0.002 0.000 0.883 1145 G HN 0.226 nan 8.290 nan 0.000 0.570 1146 D N 0.681 121.086 120.400 0.008 0.000 2.389 1146 D HA 0.417 5.057 4.640 -0.001 0.000 0.247 1146 D C 1.185 177.496 176.300 0.019 0.000 1.128 1146 D CA 0.052 54.059 54.000 0.012 0.000 0.884 1146 D CB 0.834 41.640 40.800 0.010 0.000 1.194 1146 D HN 0.495 nan 8.370 nan 0.000 0.441 1147 L N 1.998 123.242 121.223 0.034 0.000 2.466 1147 L HA 0.235 4.574 4.340 -0.001 0.000 0.257 1147 L C 1.761 178.657 176.870 0.042 0.000 1.189 1147 L CA -0.445 54.430 54.840 0.059 0.000 0.813 1147 L CB 0.715 42.855 42.059 0.135 0.000 1.118 1147 L HN 0.244 nan 8.230 nan 0.000 0.471 1148 R N 0.295 120.820 120.500 0.041 0.000 2.622 1148 R HA 0.399 4.738 4.340 -0.001 0.000 0.180 1148 R C -0.814 175.428 176.300 -0.097 0.000 0.813 1148 R CA 0.263 56.352 56.100 -0.018 0.000 1.049 1148 R CB 0.986 31.278 30.300 -0.012 0.000 1.438 1148 R HN 0.408 nan 8.270 nan 0.000 0.636 1149 V N 0.371 120.271 119.914 -0.023 0.000 3.000 1149 V HA 0.762 4.882 4.120 -0.001 0.000 0.300 1149 V C -1.846 174.289 176.094 0.069 0.000 1.251 1149 V CA -0.600 61.652 62.300 -0.080 0.000 0.972 1149 V CB 2.058 33.749 31.823 -0.220 0.000 1.065 1149 V HN 0.330 nan 8.190 nan 0.000 0.431 1150 A N 5.044 127.942 122.820 0.131 0.000 2.384 1150 A HA 1.050 5.370 4.320 -0.001 0.000 0.312 1150 A C -0.749 176.935 177.584 0.167 0.000 1.113 1150 A CA -0.824 51.248 52.037 0.058 0.000 0.779 1150 A CB 2.018 20.868 19.000 -0.251 0.000 1.307 1150 A HN 1.104 nan 8.150 nan 0.000 0.436 1151 R N -0.134 120.488 120.500 0.204 0.000 2.584 1151 R HA 0.732 5.072 4.340 -0.001 0.000 0.276 1151 R C -1.299 175.063 176.300 0.103 0.000 1.046 1151 R CA 0.479 56.684 56.100 0.175 0.000 0.906 1151 R CB 1.772 32.138 30.300 0.110 0.000 1.215 1151 R HN 1.555 nan 8.270 nan 0.000 0.449 1152 A N 2.603 125.504 122.820 0.135 0.000 2.539 1152 A HA 0.770 5.089 4.320 -0.001 0.000 0.296 1152 A C -1.496 176.166 177.584 0.130 0.000 1.073 1152 A CA -0.644 51.400 52.037 0.010 0.000 0.700 1152 A CB 1.830 20.823 19.000 -0.012 0.000 1.296 1152 A HN 0.721 nan 8.150 nan 0.000 0.405 1153 E N 0.243 120.484 120.200 0.068 0.000 2.308 1153 E HA 0.585 4.934 4.350 -0.001 0.000 0.275 1153 E C -2.193 174.524 176.600 0.195 0.000 0.890 1153 E CA -0.431 56.059 56.400 0.149 0.000 0.754 1153 E CB 2.460 32.221 29.700 0.102 0.000 1.207 1153 E HN 0.445 nan 8.360 nan 0.000 0.426 1154 F N 1.737 121.707 119.950 0.034 0.000 2.915 1154 F HA 0.606 5.133 4.527 -0.001 0.000 0.350 1154 F C -1.042 174.733 175.800 -0.042 0.000 1.248 1154 F CA -0.683 57.292 58.000 -0.042 0.000 1.084 1154 F CB 1.437 40.374 39.000 -0.104 0.000 1.391 1154 F HN 0.490 nan 8.300 nan 0.000 0.548 1155 G N 4.880 113.818 108.800 0.231 0.000 2.719 1155 G HA2 0.648 4.607 3.960 -0.001 0.000 0.298 1155 G HA3 0.648 4.607 3.960 -0.001 0.000 0.298 1155 G C -1.893 173.028 174.900 0.035 0.000 1.411 1155 G CA -0.777 44.332 45.100 0.015 0.000 0.991 1155 G HN 0.441 nan 8.290 nan 0.000 0.509 1156 K N 0.702 121.064 120.400 -0.064 0.000 2.512 1156 K HA 0.299 4.619 4.320 -0.001 0.000 0.263 1156 K C -0.877 175.692 176.600 -0.052 0.000 0.966 1156 K CA -1.111 55.165 56.287 -0.018 0.000 0.851 1156 K CB 2.322 34.811 32.500 -0.018 0.000 1.395 1156 K HN 0.434 nan 8.250 nan 0.000 0.440 1157 N N 2.701 121.388 118.700 -0.021 0.000 2.406 1157 N HA 0.057 4.796 4.740 -0.001 0.000 0.265 1157 N C -0.404 175.065 175.510 -0.068 0.000 1.203 1157 N CA 0.320 53.339 53.050 -0.052 0.000 0.945 1157 N CB 0.297 38.767 38.487 -0.029 0.000 1.165 1157 N HN 0.502 nan 8.380 nan 0.000 0.485 1158 L N 2.904 124.055 121.223 -0.120 0.000 3.110 1158 L HA 0.106 4.446 4.340 -0.001 0.000 0.266 1158 L C 1.730 178.514 176.870 -0.143 0.000 1.257 1158 L CA -0.052 54.726 54.840 -0.104 0.000 1.038 1158 L CB 0.190 42.177 42.059 -0.121 0.000 1.395 1158 L HN 0.501 nan 8.230 nan 0.000 0.566 1159 T N -5.074 109.339 114.554 -0.234 0.000 3.085 1159 T HA -0.067 4.283 4.350 -0.001 0.000 0.263 1159 T C 1.364 175.908 174.700 -0.259 0.000 1.127 1159 T CA 0.758 62.683 62.100 -0.292 0.000 1.103 1159 T CB -0.197 68.471 68.868 -0.334 0.000 0.921 1159 T HN 0.274 nan 8.240 nan 0.000 0.510 1160 H N 0.168 119.246 119.070 0.012 0.000 2.586 1160 H HA 0.415 4.970 4.556 -0.001 0.000 0.273 1160 H C 0.060 175.402 175.328 0.024 0.000 0.997 1160 H CA -0.476 55.587 56.048 0.025 0.000 1.177 1160 H CB 0.337 30.116 29.762 0.029 0.000 1.471 1160 H HN 0.277 nan 8.280 nan 0.000 0.538 1161 V N 3.966 123.933 119.914 0.089 0.000 2.353 1161 V HA 0.079 4.199 4.120 -0.001 0.000 0.264 1161 V C -1.377 174.745 176.094 0.047 0.000 1.049 1161 V CA -1.093 61.249 62.300 0.071 0.000 0.896 1161 V CB 1.641 33.498 31.823 0.057 0.000 1.025 1161 V HN 0.084 nan 8.190 nan 0.000 0.475 1162 P HA -0.121 nan 4.420 nan 0.000 0.213 1162 P C 1.440 178.754 177.300 0.023 0.000 1.170 1162 P CA 1.352 64.482 63.100 0.049 0.000 0.902 1162 P CB 0.147 31.877 31.700 0.050 0.000 0.789 1163 R N -0.870 119.633 120.500 0.005 0.000 2.323 1163 R HA 0.163 4.502 4.340 -0.001 0.000 0.198 1163 R C 2.041 178.299 176.300 -0.071 0.000 0.988 1163 R CA 0.607 56.684 56.100 -0.039 0.000 1.041 1163 R CB -0.508 29.751 30.300 -0.068 0.000 0.926 1163 R HN 0.158 nan 8.270 nan 0.000 0.476 1164 A N 0.771 123.564 122.820 -0.045 0.000 1.929 1164 A HA -0.082 4.238 4.320 -0.001 0.000 0.216 1164 A C 1.924 179.480 177.584 -0.046 0.000 1.176 1164 A CA 1.356 53.356 52.037 -0.062 0.000 0.628 1164 A CB 0.043 19.004 19.000 -0.065 0.000 0.816 1164 A HN 0.215 nan 8.150 nan 0.000 0.444 1165 V N -3.032 116.869 119.914 -0.023 0.000 3.483 1165 V HA 0.236 4.356 4.120 -0.001 0.000 0.301 1165 V C -0.752 175.406 176.094 0.106 0.000 1.389 1165 V CA -0.494 61.812 62.300 0.010 0.000 1.101 1165 V CB -0.403 31.397 31.823 -0.039 0.000 0.971 1165 V HN 0.152 nan 8.190 nan 0.000 0.434 1166 D N 0.620 121.073 120.400 0.088 0.000 2.277 1166 D HA 0.196 4.835 4.640 -0.001 0.000 0.249 1166 D C 0.302 176.723 176.300 0.201 0.000 1.134 1166 D CA -0.422 53.661 54.000 0.138 0.000 0.863 1166 D CB 1.385 42.226 40.800 0.068 0.000 1.143 1166 D HN 0.442 nan 8.370 nan 0.000 0.458 1167 W N 3.707 125.077 121.300 0.117 0.000 2.363 1167 W HA -0.152 4.507 4.660 -0.003 0.000 0.296 1167 W C 1.629 178.251 176.519 0.171 0.000 1.212 1167 W CA 1.623 59.091 57.345 0.205 0.000 1.260 1167 W CB 0.089 29.643 29.460 0.156 0.000 1.131 1167 W HN 0.473 nan 8.180 nan 0.000 0.530 1168 A N -0.504 122.336 122.820 0.033 0.000 2.123 1168 A HA -0.038 4.281 4.320 -0.001 0.000 0.214 1168 A C 1.634 179.066 177.584 -0.252 0.000 1.152 1168 A CA 0.760 52.665 52.037 -0.220 0.000 0.728 1168 A CB -0.317 18.699 19.000 0.026 0.000 0.814 1168 A HN 0.385 nan 8.150 nan 0.000 0.464 1169 Q N -0.726 118.959 119.800 -0.192 0.000 2.247 1169 Q HA 0.383 4.722 4.340 -0.001 0.000 0.205 1169 Q C 0.555 176.347 176.000 -0.347 0.000 0.896 1169 Q CA 0.450 56.100 55.803 -0.254 0.000 0.950 1169 Q CB -0.335 28.278 28.738 -0.209 0.000 1.054 1169 Q HN 0.825 nan 8.270 nan 0.000 0.482 1170 A N 0.793 123.312 122.820 -0.501 0.000 2.415 1170 A HA -0.141 4.178 4.320 -0.001 0.000 0.292 1170 A C 0.860 178.338 177.584 -0.177 0.000 1.452 1170 A CA 0.789 52.342 52.037 -0.808 0.000 0.750 1170 A CB -1.820 16.480 19.000 -1.167 0.000 1.099 1170 A HN 0.494 nan 8.150 nan 0.000 0.391 1171 G N -0.889 107.893 108.800 -0.031 0.000 2.531 1171 G HA2 0.880 4.839 3.960 -0.001 0.000 0.253 1171 G HA3 0.880 4.839 3.960 -0.001 0.000 0.253 1171 G C 0.955 175.951 174.900 0.160 0.000 1.439 1171 G CA 0.348 45.476 45.100 0.046 0.000 1.056 1171 G HN 2.634 nan 8.290 nan 0.000 0.555 1172 G N -3.404 105.454 108.800 0.097 0.000 2.570 1172 G HA2 0.413 4.372 3.960 -0.001 0.000 0.686 1172 G HA3 0.413 4.372 3.960 -0.001 0.000 0.686 1172 G C 0.746 175.669 174.900 0.037 0.000 1.257 1172 G CA 0.367 45.526 45.100 0.099 0.000 0.846 1172 G HN 1.626 nan 8.290 nan 0.000 0.627 1173 A N -0.167 122.665 122.820 0.019 0.000 1.933 1173 A HA 0.155 4.475 4.320 -0.001 0.000 0.218 1173 A C 2.624 180.223 177.584 0.025 0.000 1.175 1173 A CA 2.267 54.296 52.037 -0.014 0.000 0.628 1173 A CB -0.363 18.642 19.000 0.008 0.000 0.814 1173 A HN 1.088 nan 8.150 nan 0.000 0.444 1174 L N -1.474 119.798 121.223 0.082 0.000 2.027 1174 L HA -0.127 4.212 4.340 -0.001 0.000 0.206 1174 L C 2.332 179.226 176.870 0.039 0.000 1.074 1174 L CA 0.895 55.798 54.840 0.104 0.000 0.745 1174 L CB -0.352 41.792 42.059 0.141 0.000 0.898 1174 L HN 0.297 nan 8.230 nan 0.000 0.433 1175 L N -0.881 120.365 121.223 0.039 0.000 2.341 1175 L HA -0.097 4.242 4.340 -0.001 0.000 0.214 1175 L C 1.732 178.571 176.870 -0.051 0.000 1.115 1175 L CA 1.223 56.034 54.840 -0.049 0.000 0.820 1175 L CB -0.383 41.637 42.059 -0.065 0.000 0.944 1175 L HN 0.179 nan 8.230 nan 0.000 0.452 1176 D N -1.488 118.920 120.400 0.014 0.000 2.262 1176 D HA 0.102 4.742 4.640 -0.001 0.000 0.212 1176 D C 2.009 178.269 176.300 -0.067 0.000 0.964 1176 D CA 0.985 54.984 54.000 -0.000 0.000 0.875 1176 D CB 0.473 41.238 40.800 -0.059 0.000 0.996 1176 D HN 0.230 nan 8.370 nan 0.000 0.497 1177 L N -0.907 120.245 121.223 -0.119 0.000 2.758 1177 L HA 0.327 4.666 4.340 -0.001 0.000 0.234 1177 L C 2.285 179.199 176.870 0.075 0.000 1.049 1177 L CA 0.448 55.199 54.840 -0.148 0.000 0.908 1177 L CB -0.320 41.346 42.059 -0.655 0.000 1.362 1177 L HN -0.072 nan 8.230 nan 0.000 0.499 1178 G N 2.326 111.134 108.800 0.014 0.000 2.450 1178 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.220 1178 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.220 1178 G C 1.528 176.318 174.900 -0.184 0.000 1.130 1178 G CA 1.330 46.404 45.100 -0.044 0.000 0.760 1178 G HN 0.498 nan 8.290 nan 0.000 0.557 1179 I N -2.714 117.786 120.570 -0.117 0.000 2.335 1179 I HA -0.177 3.992 4.170 -0.001 0.000 0.251 1179 I C 2.400 178.414 176.117 -0.171 0.000 1.129 1179 I CA 1.243 62.433 61.300 -0.184 0.000 1.402 1179 I CB -0.546 37.298 38.000 -0.259 0.000 1.069 1179 I HN 0.077 nan 8.210 nan 0.000 0.424 1180 Y N 1.135 121.437 120.300 0.004 0.000 2.263 1180 Y HA -0.115 4.435 4.550 -0.000 0.000 0.292 1180 Y C 2.858 178.730 175.900 -0.046 0.000 1.130 1180 Y CA 1.325 59.454 58.100 0.048 0.000 1.179 1180 Y CB -0.840 37.729 38.460 0.181 0.000 0.998 1180 Y HN 0.318 nan 8.280 nan 0.000 0.532 1181 C N -1.183 118.095 119.300 -0.037 0.000 2.446 1181 C HA -0.119 4.340 4.460 -0.001 0.000 0.277 1181 C C 2.728 177.536 174.990 -0.302 0.000 1.275 1181 C CA 0.756 59.613 59.018 -0.269 0.000 1.727 1181 C CB -1.179 26.111 27.740 -0.749 0.000 2.010 1181 C HN 0.343 nan 8.230 nan 0.000 0.486 1182 V N 2.218 121.876 119.914 -0.427 0.000 2.295 1182 V HA -0.265 3.854 4.120 -0.001 0.000 0.246 1182 V C 2.714 178.796 176.094 -0.020 0.000 1.049 1182 V CA 2.483 64.685 62.300 -0.164 0.000 1.024 1182 V CB -1.090 30.675 31.823 -0.098 0.000 0.648 1182 V HN 0.687 nan 8.190 nan 0.000 0.447 1183 Q N 0.437 120.225 119.800 -0.020 0.000 2.124 1183 Q HA -0.214 4.125 4.340 -0.001 0.000 0.202 1183 Q C 1.940 177.946 176.000 0.009 0.000 0.977 1183 Q CA 2.308 58.112 55.803 0.001 0.000 0.850 1183 Q CB -1.017 27.721 28.738 0.001 0.000 0.901 1183 Q HN 0.562 nan 8.270 nan 0.000 0.429 1184 F N 0.898 120.790 119.950 -0.097 0.000 2.113 1184 F HA -0.016 4.510 4.527 -0.001 0.000 0.297 1184 F C 1.792 177.481 175.800 -0.185 0.000 1.103 1184 F CA 1.271 59.190 58.000 -0.135 0.000 1.248 1184 F CB -0.157 38.769 39.000 -0.124 0.000 0.999 1184 F HN 0.075 nan 8.300 nan 0.000 0.475 1185 I N -0.435 120.089 120.570 -0.076 0.000 2.208 1185 I HA -0.329 3.840 4.170 -0.001 0.000 0.245 1185 I C 2.758 178.654 176.117 -0.367 0.000 1.097 1185 I CA 1.605 62.750 61.300 -0.257 0.000 1.363 1185 I CB -0.705 37.360 38.000 0.107 0.000 1.051 1185 I HN 0.266 nan 8.210 nan 0.000 0.413 1186 S N 0.511 116.141 115.700 -0.116 0.000 2.368 1186 S HA -0.242 4.228 4.470 -0.001 0.000 0.225 1186 S C 2.147 176.649 174.600 -0.164 0.000 1.030 1186 S CA 1.506 59.695 58.200 -0.017 0.000 0.999 1186 S CB -0.248 62.995 63.200 0.072 0.000 0.844 1186 S HN 0.397 nan 8.310 nan 0.000 0.459 1187 M N 1.535 120.974 119.600 -0.269 0.000 2.117 1187 M HA -0.098 4.382 4.480 -0.001 0.000 0.262 1187 M C 1.993 178.039 176.300 -0.423 0.000 1.065 1187 M CA 2.229 57.346 55.300 -0.306 0.000 1.114 1187 M CB -0.350 32.052 32.600 -0.329 0.000 1.361 1187 M HN 0.381 nan 8.290 nan 0.000 0.408 1188 V N -2.136 117.345 119.914 -0.722 0.000 2.667 1188 V HA -0.125 3.995 4.120 -0.001 0.000 0.252 1188 V C 0.989 176.716 176.094 -0.612 0.000 1.065 1188 V CA 1.186 63.011 62.300 -0.793 0.000 1.083 1188 V CB -1.186 29.957 31.823 -1.134 0.000 0.692 1188 V HN 0.406 nan 8.190 nan 0.000 0.468 1189 F N 2.230 121.956 119.950 -0.373 0.000 2.916 1189 F HA 0.723 5.250 4.527 -0.001 0.000 0.294 1189 F C 1.726 177.450 175.800 -0.127 0.000 1.189 1189 F CA -0.953 56.868 58.000 -0.299 0.000 1.369 1189 F CB -0.159 38.492 39.000 -0.581 0.000 0.961 1189 F HN 0.332 nan 8.300 nan 0.000 0.508 1190 G N 0.009 108.815 108.800 0.011 0.000 2.179 1190 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.257 1190 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.257 1190 G C 1.274 176.204 174.900 0.051 0.000 1.010 1190 G CA 0.337 45.452 45.100 0.025 0.000 0.736 1190 G HN 1.273 nan 8.290 nan 0.000 0.513 1191 G N -1.551 107.284 108.800 0.059 0.000 2.225 1191 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.267 1191 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.267 1191 G C 0.332 175.315 174.900 0.139 0.000 1.024 1191 G CA 1.233 46.384 45.100 0.086 0.000 0.784 1191 G HN 1.172 nan 8.290 nan 0.000 0.507 1192 Q N -0.565 119.372 119.800 0.228 0.000 2.260 1192 Q HA 0.456 4.796 4.340 -0.001 0.000 0.238 1192 Q C 0.452 176.550 176.000 0.164 0.000 0.948 1192 Q CA -0.480 55.438 55.803 0.191 0.000 0.895 1192 Q CB 1.202 30.064 28.738 0.206 0.000 1.218 1192 Q HN 0.321 nan 8.270 nan 0.000 0.470 1193 K N 2.228 122.645 120.400 0.028 0.000 2.276 1193 K HA 0.244 4.563 4.320 -0.001 0.000 0.283 1193 K C -2.387 174.065 176.600 -0.247 0.000 1.044 1193 K CA -1.749 54.499 56.287 -0.066 0.000 0.944 1193 K CB 0.445 32.920 32.500 -0.041 0.000 1.012 1193 K HN 0.238 nan 8.250 nan 0.000 0.472 1194 P HA -0.004 nan 4.420 nan 0.000 0.267 1194 P C -0.413 176.720 177.300 -0.278 0.000 1.200 1194 P CA 0.118 62.867 63.100 -0.585 0.000 0.772 1194 P CB 0.625 32.039 31.700 -0.476 0.000 0.855 1195 E N 0.903 120.963 120.200 -0.233 0.000 2.299 1195 E HA 0.006 4.355 4.350 -0.001 0.000 0.193 1195 E C 0.482 177.024 176.600 -0.095 0.000 0.998 1195 E CA 0.737 57.061 56.400 -0.127 0.000 0.851 1195 E CB 0.233 29.876 29.700 -0.095 0.000 0.795 1195 E HN 0.321 nan 8.360 nan 0.000 0.492 1196 K N 0.425 120.763 120.400 -0.104 0.000 2.589 1196 K HA 0.349 4.669 4.320 -0.001 0.000 0.265 1196 K C -1.995 174.573 176.600 -0.052 0.000 0.935 1196 K CA -0.389 55.858 56.287 -0.066 0.000 0.850 1196 K CB 1.356 33.825 32.500 -0.052 0.000 1.372 1196 K HN -0.112 nan 8.250 nan 0.000 0.420 1197 I N 1.906 122.456 120.570 -0.033 0.000 2.582 1197 I HA 0.321 4.491 4.170 -0.001 0.000 0.292 1197 I C -0.754 175.350 176.117 -0.021 0.000 1.066 1197 I CA -0.656 60.636 61.300 -0.014 0.000 1.053 1197 I CB 2.376 40.376 38.000 0.001 0.000 1.241 1197 I HN 0.445 nan 8.210 nan 0.000 0.421 1198 S N 4.439 120.122 115.700 -0.028 0.000 2.526 1198 S HA 0.786 5.255 4.470 -0.001 0.000 0.293 1198 S C -0.727 173.838 174.600 -0.058 0.000 1.092 1198 S CA -0.693 57.484 58.200 -0.039 0.000 0.980 1198 S CB 2.450 65.626 63.200 -0.041 0.000 1.048 1198 S HN 0.286 nan 8.310 nan 0.000 0.483 1199 V N 3.143 123.025 119.914 -0.054 0.000 2.789 1199 V HA 0.593 4.712 4.120 -0.001 0.000 0.311 1199 V C -0.742 175.319 176.094 -0.055 0.000 1.073 1199 V CA -0.602 61.657 62.300 -0.069 0.000 0.921 1199 V CB 1.853 33.647 31.823 -0.047 0.000 1.009 1199 V HN 0.875 nan 8.190 nan 0.000 0.426 1200 M N 2.582 122.144 119.600 -0.062 0.000 2.457 1200 M HA 0.863 5.343 4.480 -0.001 0.000 0.300 1200 M C 0.098 176.376 176.300 -0.036 0.000 1.141 1200 M CA -0.253 55.023 55.300 -0.041 0.000 0.901 1200 M CB 2.592 35.170 32.600 -0.036 0.000 1.687 1200 M HN 0.931 nan 8.290 nan 0.000 0.449 1201 G N 1.511 110.299 108.800 -0.020 0.000 2.488 1201 G HA2 0.728 4.687 3.960 -0.001 0.000 0.301 1201 G HA3 0.728 4.687 3.960 -0.001 0.000 0.301 1201 G C -2.128 172.773 174.900 0.001 0.000 1.339 1201 G CA -0.964 44.132 45.100 -0.007 0.000 0.803 1201 G HN 0.830 nan 8.290 nan 0.000 0.482 1202 R N -1.052 119.456 120.500 0.013 0.000 2.888 1202 R HA 0.813 5.152 4.340 -0.001 0.000 0.264 1202 R C -0.518 175.801 176.300 0.032 0.000 1.045 1202 R CA -1.105 55.005 56.100 0.016 0.000 0.962 1202 R CB 1.715 32.024 30.300 0.015 0.000 1.210 1202 R HN 0.490 nan 8.270 nan 0.000 0.479 1203 R N -0.055 120.461 120.500 0.026 0.000 2.543 1203 R HA 0.250 4.589 4.340 -0.001 0.000 0.268 1203 R C -0.587 175.758 176.300 0.075 0.000 1.067 1203 R CA -0.748 55.378 56.100 0.044 0.000 1.142 1203 R CB 0.722 31.028 30.300 0.011 0.000 1.110 1203 R HN 0.566 nan 8.270 nan 0.000 0.549 1204 H N -0.022 119.053 119.070 0.008 0.000 2.533 1204 H HA 0.125 4.680 4.556 -0.001 0.000 0.343 1204 H C 0.004 175.335 175.328 0.006 0.000 1.160 1204 H CA -0.445 55.607 56.048 0.008 0.000 1.218 1204 H CB 1.488 31.259 29.762 0.016 0.000 1.566 1204 H HN 0.529 nan 8.280 nan 0.000 0.522 1205 E N 0.616 120.505 120.200 -0.517 0.000 2.472 1205 E HA -0.057 4.292 4.350 -0.001 0.000 0.200 1205 E C 1.053 177.600 176.600 -0.088 0.000 1.046 1205 E CA 1.206 57.455 56.400 -0.252 0.000 0.871 1205 E CB 0.112 29.648 29.700 -0.274 0.000 0.806 1205 E HN 0.682 nan 8.360 nan 0.000 0.533 1206 T N -3.636 110.952 114.554 0.056 0.000 3.163 1206 T HA 0.396 4.745 4.350 -0.001 0.000 0.252 1206 T C 1.443 176.232 174.700 0.148 0.000 1.056 1206 T CA 0.060 62.239 62.100 0.132 0.000 0.947 1206 T CB 0.511 69.527 68.868 0.246 0.000 1.016 1206 T HN 0.218 nan 8.240 nan 0.000 0.554 1207 G N 0.633 109.493 108.800 0.101 0.000 2.176 1207 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.232 1207 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.232 1207 G C 0.075 175.127 174.900 0.254 0.000 0.986 1207 G CA 0.078 45.237 45.100 0.098 0.000 0.643 1207 G HN 1.400 nan 8.290 nan 0.000 0.522 1208 V N -2.015 118.044 119.914 0.241 0.000 3.204 1208 V HA 0.877 4.996 4.120 -0.001 0.000 0.316 1208 V C 0.048 176.233 176.094 0.151 0.000 1.160 1208 V CA -0.566 61.873 62.300 0.231 0.000 1.044 1208 V CB 1.755 33.731 31.823 0.256 0.000 1.136 1208 V HN 0.382 nan 8.190 nan 0.000 0.455 1209 D N 0.036 120.509 120.400 0.122 0.000 2.302 1209 D HA 0.172 4.812 4.640 -0.001 0.000 0.248 1209 D C -0.013 176.337 176.300 0.085 0.000 1.094 1209 D CA -0.134 53.921 54.000 0.091 0.000 0.897 1209 D CB 2.120 42.964 40.800 0.072 0.000 1.200 1209 D HN 0.714 nan 8.370 nan 0.000 0.429 1210 D N 0.790 121.241 120.400 0.086 0.000 2.468 1210 D HA -0.016 4.624 4.640 -0.001 0.000 0.243 1210 D C -0.377 175.944 176.300 0.035 0.000 0.994 1210 D CA 0.840 54.884 54.000 0.075 0.000 0.932 1210 D CB 0.771 41.654 40.800 0.138 0.000 1.078 1210 D HN 0.458 nan 8.370 nan 0.000 0.473 1211 T N 0.580 115.160 114.554 0.043 0.000 3.237 1211 T HA 0.464 4.813 4.350 -0.001 0.000 0.319 1211 T C -1.053 173.665 174.700 0.031 0.000 1.037 1211 T CA -0.568 61.554 62.100 0.036 0.000 1.048 1211 T CB 2.419 71.306 68.868 0.032 0.000 1.081 1211 T HN -0.168 nan 8.240 nan 0.000 0.455 1212 V N 2.988 122.924 119.914 0.036 0.000 2.668 1212 V HA 0.625 4.745 4.120 -0.001 0.000 0.304 1212 V C -0.222 175.841 176.094 -0.052 0.000 1.071 1212 V CA -0.755 61.548 62.300 0.006 0.000 0.894 1212 V CB 2.334 34.182 31.823 0.041 0.000 1.008 1212 V HN 0.949 nan 8.190 nan 0.000 0.425 1213 T N 3.772 118.253 114.554 -0.121 0.000 2.888 1213 T HA 0.794 5.143 4.350 -0.001 0.000 0.284 1213 T C -0.624 173.868 174.700 -0.347 0.000 1.017 1213 T CA -0.521 61.438 62.100 -0.235 0.000 1.022 1213 T CB 1.983 70.779 68.868 -0.119 0.000 1.013 1213 T HN 0.423 nan 8.240 nan 0.000 0.465 1214 V N 2.966 122.525 119.914 -0.591 0.000 2.841 1214 V HA 0.554 4.673 4.120 -0.001 0.000 0.310 1214 V C -1.143 174.788 176.094 -0.272 0.000 1.090 1214 V CA -0.874 61.130 62.300 -0.494 0.000 0.930 1214 V CB 2.157 33.487 31.823 -0.822 0.000 1.014 1214 V HN 0.635 nan 8.190 nan 0.000 0.425 1215 L N 4.794 125.959 121.223 -0.096 0.000 2.325 1215 L HA 0.701 5.040 4.340 -0.001 0.000 0.281 1215 L C -1.048 175.865 176.870 0.072 0.000 1.004 1215 L CA -0.038 54.812 54.840 0.016 0.000 0.823 1215 L CB 1.501 43.551 42.059 -0.015 0.000 1.236 1215 L HN 0.521 nan 8.230 nan 0.000 0.415 1216 L N 3.810 125.151 121.223 0.196 0.000 2.325 1216 L HA 0.544 4.883 4.340 -0.001 0.000 0.281 1216 L C -0.324 176.681 176.870 0.225 0.000 1.004 1216 L CA -0.511 54.451 54.840 0.203 0.000 0.823 1216 L CB 1.660 43.932 42.059 0.355 0.000 1.236 1216 L HN 0.480 nan 8.230 nan 0.000 0.415 1217 Q N 2.274 122.104 119.800 0.051 0.000 2.279 1217 Q HA 0.388 4.728 4.340 -0.001 0.000 0.256 1217 Q C -1.659 174.293 176.000 -0.080 0.000 0.937 1217 Q CA 0.246 56.076 55.803 0.044 0.000 0.933 1217 Q CB 0.615 29.340 28.738 -0.021 0.000 1.189 1217 Q HN 0.451 nan 8.270 nan 0.000 0.417 1218 Y N 4.198 124.437 120.300 -0.102 0.000 2.528 1218 Y HA 0.515 5.066 4.550 0.001 0.000 0.335 1218 Y C -1.878 173.912 175.900 -0.183 0.000 1.093 1218 Y CA -2.493 55.494 58.100 -0.189 0.000 1.134 1218 Y CB 1.636 39.812 38.460 -0.473 0.000 1.253 1218 Y HN 0.657 nan 8.280 nan 0.000 0.478 1219 P HA 0.140 nan 4.420 nan 0.000 0.270 1219 P C 0.144 177.418 177.300 -0.044 0.000 1.223 1219 P CA 0.953 64.039 63.100 -0.023 0.000 0.785 1219 P CB 0.544 32.242 31.700 -0.003 0.000 0.923 1220 G N 0.813 109.593 108.800 -0.033 0.000 2.137 1220 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.237 1220 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.237 1220 G C 0.256 175.131 174.900 -0.042 0.000 1.002 1220 G CA 0.329 45.409 45.100 -0.033 0.000 0.702 1220 G HN 0.631 nan 8.290 nan 0.000 0.515 1221 E N -2.501 117.678 120.200 -0.035 0.000 2.442 1221 E HA -0.114 4.235 4.350 -0.001 0.000 0.256 1221 E C 0.294 176.884 176.600 -0.017 0.000 1.095 1221 E CA 1.167 57.562 56.400 -0.008 0.000 0.747 1221 E CB -1.506 28.195 29.700 0.001 0.000 1.310 1221 E HN 1.993 nan 8.360 nan 0.000 0.396 1222 V N -1.373 118.484 119.914 -0.096 0.000 3.040 1222 V HA 0.909 5.029 4.120 -0.001 0.000 0.312 1222 V C -0.155 175.833 176.094 -0.177 0.000 1.115 1222 V CA -0.298 61.871 62.300 -0.218 0.000 0.998 1222 V CB 2.210 33.751 31.823 -0.469 0.000 1.042 1222 V HN 0.363 nan 8.190 nan 0.000 0.433 1223 H N 0.628 119.633 119.070 -0.108 0.000 3.016 1223 H HA 0.827 5.382 4.556 -0.001 0.000 0.362 1223 H C -0.569 174.949 175.328 0.317 0.000 1.233 1223 H CA -0.372 55.732 56.048 0.094 0.000 1.124 1223 H CB 1.987 31.808 29.762 0.099 0.000 1.850 1223 H HN 1.148 nan 8.280 nan 0.000 0.549 1224 G N -0.039 109.084 108.800 0.538 0.000 2.498 1224 G HA2 0.518 4.477 3.960 -0.001 0.000 0.312 1224 G HA3 0.518 4.477 3.960 -0.001 0.000 0.312 1224 G C -1.065 174.074 174.900 0.400 0.000 1.230 1224 G CA -0.540 44.836 45.100 0.461 0.000 0.968 1224 G HN 0.871 nan 8.290 nan 0.000 0.481 1225 S N -0.803 115.096 115.700 0.331 0.000 2.549 1225 S HA 0.850 5.320 4.470 -0.001 0.000 0.280 1225 S C -0.896 173.893 174.600 0.314 0.000 1.109 1225 S CA -0.856 57.484 58.200 0.234 0.000 0.905 1225 S CB 1.661 64.955 63.200 0.157 0.000 1.081 1225 S HN 1.478 nan 8.310 nan 0.000 0.477 1226 F N -1.038 118.994 119.950 0.137 0.000 2.643 1226 F HA 0.913 5.439 4.527 -0.002 0.000 0.314 1226 F C -1.074 174.782 175.800 0.093 0.000 1.096 1226 F CA -0.780 57.289 58.000 0.116 0.000 0.953 1226 F CB 1.520 40.601 39.000 0.135 0.000 1.345 1226 F HN 0.550 nan 8.300 nan 0.000 0.468 1227 T N 1.505 116.273 114.554 0.356 0.000 2.921 1227 T HA 0.594 4.943 4.350 -0.001 0.000 0.297 1227 T C -1.145 173.749 174.700 0.322 0.000 1.013 1227 T CA -0.610 61.618 62.100 0.213 0.000 0.990 1227 T CB 1.091 70.026 68.868 0.113 0.000 1.023 1227 T HN 1.053 nan 8.240 nan 0.000 0.447 1228 C N 0.756 120.218 119.300 0.271 0.000 2.889 1228 C HA 1.000 5.460 4.460 -0.001 0.000 0.307 1228 C C -0.390 174.649 174.990 0.082 0.000 1.251 1228 C CA -0.957 58.175 59.018 0.190 0.000 1.593 1228 C CB 1.199 29.069 27.740 0.217 0.000 2.104 1228 C HN 0.861 nan 8.230 nan 0.000 0.476 1229 S N -0.056 115.644 115.700 0.001 0.000 2.542 1229 S HA 0.599 5.068 4.470 -0.001 0.000 0.276 1229 S C -0.240 174.301 174.600 -0.098 0.000 1.148 1229 S CA -0.469 57.717 58.200 -0.024 0.000 0.886 1229 S CB 0.998 64.200 63.200 0.003 0.000 1.109 1229 S HN 1.389 nan 8.310 nan 0.000 0.458 1230 I N 2.372 122.877 120.570 -0.107 0.000 3.875 1230 I HA 0.338 4.508 4.170 -0.001 0.000 0.329 1230 I C 1.294 177.315 176.117 -0.159 0.000 1.295 1230 I CA 0.381 61.581 61.300 -0.166 0.000 1.129 1230 I CB 0.012 37.890 38.000 -0.204 0.000 1.008 1230 I HN 0.644 nan 8.210 nan 0.000 0.413 1231 T N -2.418 112.082 114.554 -0.090 0.000 3.028 1231 T HA 0.537 4.886 4.350 -0.001 0.000 0.250 1231 T C 0.927 175.616 174.700 -0.018 0.000 0.979 1231 T CA 0.381 62.448 62.100 -0.054 0.000 1.004 1231 T CB -0.240 68.629 68.868 0.002 0.000 1.120 1231 T HN 0.246 nan 8.240 nan 0.000 0.482 1232 A N 2.130 124.948 122.820 -0.003 0.000 2.260 1232 A HA 0.685 5.004 4.320 -0.001 0.000 0.308 1232 A C -0.027 177.574 177.584 0.027 0.000 1.254 1232 A CA -0.524 51.523 52.037 0.018 0.000 0.874 1232 A CB 0.664 19.680 19.000 0.027 0.000 1.153 1232 A HN 0.374 nan 8.150 nan 0.000 0.527 1233 Q N 1.899 121.723 119.800 0.039 0.000 2.286 1233 Q HA 0.361 4.700 4.340 -0.001 0.000 0.290 1233 Q C -0.802 175.240 176.000 0.070 0.000 1.049 1233 Q CA 1.037 56.877 55.803 0.062 0.000 0.923 1233 Q CB 0.035 28.811 28.738 0.064 0.000 1.183 1233 Q HN 0.650 nan 8.270 nan 0.000 0.383 1234 L N 1.550 122.830 121.223 0.094 0.000 2.267 1234 L HA 0.455 4.794 4.340 -0.001 0.000 0.264 1234 L C 1.133 178.057 176.870 0.091 0.000 1.021 1234 L CA -0.262 54.632 54.840 0.091 0.000 0.861 1234 L CB 1.304 43.428 42.059 0.108 0.000 1.443 1234 L HN 0.856 nan 8.230 nan 0.000 0.475 1235 S N -1.247 114.495 115.700 0.069 0.000 2.489 1235 S HA -0.074 4.396 4.470 -0.001 0.000 0.228 1235 S C 0.605 175.231 174.600 0.043 0.000 0.995 1235 S CA 0.524 58.752 58.200 0.048 0.000 0.934 1235 S CB -0.398 62.817 63.200 0.025 0.000 0.771 1235 S HN 0.726 nan 8.310 nan 0.000 0.522 1236 N N 2.044 120.782 118.700 0.063 0.000 2.721 1236 N HA -0.125 4.614 4.740 -0.001 0.000 0.249 1236 N C -0.053 175.413 175.510 -0.074 0.000 1.072 1236 N CA 1.483 54.557 53.050 0.040 0.000 0.710 1236 N CB -2.275 36.307 38.487 0.157 0.000 0.993 1236 N HN 0.919 nan 8.380 nan 0.000 0.547 1237 T N -3.654 110.840 114.554 -0.101 0.000 2.927 1237 T HA 0.909 5.258 4.350 -0.001 0.000 0.286 1237 T C -0.106 174.432 174.700 -0.270 0.000 1.040 1237 T CA -0.328 61.663 62.100 -0.181 0.000 1.010 1237 T CB 2.926 71.717 68.868 -0.128 0.000 1.177 1237 T HN 0.393 nan 8.240 nan 0.000 0.546 1238 A N 0.905 123.483 122.820 -0.404 0.000 2.486 1238 A HA 0.834 5.154 4.320 -0.001 0.000 0.300 1238 A C -0.271 177.059 177.584 -0.424 0.000 1.048 1238 A CA -0.733 50.908 52.037 -0.660 0.000 0.696 1238 A CB 1.458 19.523 19.000 -1.558 0.000 1.278 1238 A HN 1.568 nan 8.150 nan 0.000 0.405 1239 S N -0.104 115.497 115.700 -0.166 0.000 2.627 1239 S HA 0.862 5.332 4.470 -0.001 0.000 0.283 1239 S C -1.172 173.546 174.600 0.197 0.000 1.127 1239 S CA -0.667 57.558 58.200 0.041 0.000 0.863 1239 S CB 1.539 64.736 63.200 -0.006 0.000 1.121 1239 S HN 2.065 nan 8.310 nan 0.000 0.479 1240 V N 0.967 120.940 119.914 0.098 0.000 2.808 1240 V HA 0.825 4.944 4.120 -0.001 0.000 0.308 1240 V C -1.427 174.661 176.094 -0.011 0.000 1.099 1240 V CA -0.178 62.123 62.300 0.000 0.000 0.920 1240 V CB 2.090 33.829 31.823 -0.140 0.000 1.014 1240 V HN 1.209 nan 8.190 nan 0.000 0.425 1241 S N 4.030 119.727 115.700 -0.007 0.000 2.536 1241 S HA 0.963 5.432 4.470 -0.001 0.000 0.287 1241 S C -0.052 174.552 174.600 0.007 0.000 1.101 1241 S CA -0.149 58.051 58.200 -0.000 0.000 0.950 1241 S CB 1.799 65.003 63.200 0.006 0.000 1.056 1241 S HN 1.343 nan 8.310 nan 0.000 0.481 1242 G N 0.281 109.084 108.800 0.005 0.000 3.086 1242 G HA2 0.535 4.494 3.960 -0.001 0.000 0.282 1242 G HA3 0.535 4.494 3.960 -0.001 0.000 0.282 1242 G C 0.783 175.687 174.900 0.008 0.000 1.343 1242 G CA -0.023 45.083 45.100 0.010 0.000 0.895 1242 G HN 0.731 nan 8.290 nan 0.000 0.557 1243 T N -2.255 112.304 114.554 0.008 0.000 2.946 1243 T HA -0.045 4.304 4.350 -0.001 0.000 0.271 1243 T C 1.411 176.115 174.700 0.006 0.000 1.104 1243 T CA 1.645 63.750 62.100 0.008 0.000 1.114 1243 T CB -0.116 68.757 68.868 0.008 0.000 0.867 1243 T HN 0.406 nan 8.240 nan 0.000 0.513 1244 K N 0.276 120.678 120.400 0.004 0.000 2.402 1244 K HA 0.520 4.840 4.320 -0.001 0.000 0.204 1244 K C 0.763 177.364 176.600 0.001 0.000 1.056 1244 K CA -0.016 56.273 56.287 0.003 0.000 1.069 1244 K CB 1.324 33.825 32.500 0.002 0.000 0.888 1244 K HN 0.499 nan 8.250 nan 0.000 0.546 1245 G N 1.045 109.845 108.800 0.001 0.000 2.362 1245 G HA2 0.061 4.020 3.960 -0.001 0.000 0.288 1245 G HA3 0.061 4.020 3.960 -0.001 0.000 0.288 1245 G C -2.020 172.877 174.900 -0.005 0.000 1.305 1245 G CA -0.933 44.166 45.100 -0.001 0.000 0.910 1245 G HN -0.002 nan 8.290 nan 0.000 0.518 1246 M N 0.445 120.040 119.600 -0.009 0.000 2.456 1246 M HA 0.779 5.258 4.480 -0.001 0.000 0.324 1246 M C -0.350 175.937 176.300 -0.022 0.000 1.124 1246 M CA -0.772 54.520 55.300 -0.012 0.000 0.959 1246 M CB 1.858 34.452 32.600 -0.010 0.000 1.692 1246 M HN 1.548 nan 8.290 nan 0.000 0.444 1247 A N 3.689 126.497 122.820 -0.021 0.000 2.365 1247 A HA 0.708 5.028 4.320 -0.001 0.000 0.318 1247 A C -1.453 176.117 177.584 -0.023 0.000 1.091 1247 A CA -0.547 51.474 52.037 -0.028 0.000 0.763 1247 A CB 1.754 20.740 19.000 -0.023 0.000 1.248 1247 A HN 0.830 nan 8.150 nan 0.000 0.442 1248 Q N 1.904 121.671 119.800 -0.055 0.000 2.284 1248 Q HA 0.572 4.911 4.340 -0.001 0.000 0.269 1248 Q C -2.123 173.805 176.000 -0.120 0.000 1.026 1248 Q CA -0.507 55.245 55.803 -0.086 0.000 0.831 1248 Q CB 1.584 30.263 28.738 -0.097 0.000 1.322 1248 Q HN 0.740 nan 8.270 nan 0.000 0.419 1249 L N 5.041 126.163 121.223 -0.167 0.000 2.257 1249 L HA 0.394 4.734 4.340 -0.001 0.000 0.290 1249 L C -0.120 176.614 176.870 -0.227 0.000 1.044 1249 L CA -0.514 54.203 54.840 -0.204 0.000 0.810 1249 L CB 0.659 42.561 42.059 -0.263 0.000 1.193 1249 L HN 0.552 nan 8.230 nan 0.000 0.425 1250 L N 2.402 123.513 121.223 -0.186 0.000 2.464 1250 L HA 0.126 4.465 4.340 -0.001 0.000 0.264 1250 L C 0.747 177.487 176.870 -0.217 0.000 1.199 1250 L CA -0.490 54.250 54.840 -0.165 0.000 0.818 1250 L CB 0.206 42.199 42.059 -0.110 0.000 1.102 1250 L HN 0.595 nan 8.230 nan 0.000 0.473 1251 N N 2.982 121.578 118.700 -0.172 0.000 2.359 1251 N HA 0.014 4.754 4.740 -0.001 0.000 0.261 1251 N C -2.309 173.042 175.510 -0.265 0.000 1.267 1251 N CA -0.692 52.242 53.050 -0.193 0.000 0.864 1251 N CB 0.243 38.684 38.487 -0.077 0.000 1.063 1251 N HN 0.262 nan 8.380 nan 0.000 0.474 1252 P HA 0.181 nan 4.420 nan 0.000 0.292 1252 P C 0.813 177.565 177.300 -0.914 0.000 1.326 1252 P CA -0.621 61.928 63.100 -0.919 0.000 0.787 1252 P CB 0.443 31.129 31.700 -1.691 0.000 0.903 1253 C N 0.836 119.798 119.300 -0.564 0.000 2.432 1253 C HA -0.010 4.449 4.460 -0.001 0.000 0.282 1253 C C 2.120 176.762 174.990 -0.581 0.000 1.388 1253 C CA -0.103 58.612 59.018 -0.505 0.000 1.777 1253 C CB -2.221 25.276 27.740 -0.405 0.000 1.882 1253 C HN 0.745 nan 8.230 nan 0.000 0.520 1254 W N 1.492 122.271 121.300 -0.870 0.000 3.047 1254 W HA 0.335 4.994 4.660 -0.001 0.000 0.250 1254 W C 0.708 176.578 176.519 -1.081 0.000 1.314 1254 W CA 0.286 57.034 57.345 -0.995 0.000 1.540 1254 W CB -0.940 27.620 29.460 -1.501 0.000 1.127 1254 W HN 0.454 nan 8.180 nan 0.000 0.679 1255 C N -1.030 117.320 119.300 -1.583 0.000 3.319 1255 C HA 0.427 4.887 4.460 -0.001 0.000 0.200 1255 C C -2.463 171.673 174.990 -1.423 0.000 1.332 1255 C CA -2.403 55.411 59.018 -2.007 0.000 1.170 1255 C CB -0.987 25.853 27.740 -1.501 0.000 1.855 1255 C HN -0.060 nan 8.230 nan 0.000 0.593 1256 P HA 0.356 nan 4.420 nan 0.000 0.279 1256 P C 0.713 177.861 177.300 -0.253 0.000 1.239 1256 P CA 0.535 63.285 63.100 -0.584 0.000 0.789 1256 P CB 1.574 32.988 31.700 -0.477 0.000 0.933 1257 T N -1.983 112.503 114.554 -0.114 0.000 3.043 1257 T HA 0.255 4.604 4.350 -0.001 0.000 0.272 1257 T C 0.126 174.912 174.700 0.144 0.000 0.990 1257 T CA -0.147 62.001 62.100 0.080 0.000 0.897 1257 T CB 0.025 68.941 68.868 0.079 0.000 1.111 1257 T HN 0.374 nan 8.240 nan 0.000 0.529 1258 E N 0.987 121.217 120.200 0.050 0.000 2.256 1258 E HA 0.604 4.953 4.350 -0.001 0.000 0.268 1258 E C -1.969 174.652 176.600 0.035 0.000 0.877 1258 E CA -1.015 55.432 56.400 0.078 0.000 0.757 1258 E CB 2.755 32.468 29.700 0.023 0.000 1.183 1258 E HN 0.084 nan 8.360 nan 0.000 0.418 1259 L N 2.885 124.169 121.223 0.101 0.000 2.333 1259 L HA 0.444 4.783 4.340 -0.001 0.000 0.280 1259 L C -1.491 175.340 176.870 -0.065 0.000 1.004 1259 L CA -0.781 54.082 54.840 0.037 0.000 0.820 1259 L CB 1.810 43.973 42.059 0.174 0.000 1.247 1259 L HN 0.354 nan 8.230 nan 0.000 0.416 1260 V N 5.838 125.657 119.914 -0.159 0.000 2.409 1260 V HA 0.556 4.675 4.120 -0.001 0.000 0.291 1260 V C -0.595 175.425 176.094 -0.124 0.000 1.020 1260 V CA -0.639 61.509 62.300 -0.254 0.000 0.848 1260 V CB 1.729 33.271 31.823 -0.468 0.000 0.990 1260 V HN 0.506 nan 8.190 nan 0.000 0.430 1261 V N 5.020 124.888 119.914 -0.076 0.000 2.376 1261 V HA 0.450 4.570 4.120 -0.001 0.000 0.287 1261 V C 0.397 176.475 176.094 -0.026 0.000 1.015 1261 V CA -1.030 61.247 62.300 -0.038 0.000 0.834 1261 V CB 1.184 32.999 31.823 -0.013 0.000 1.001 1261 V HN 0.940 nan 8.190 nan 0.000 0.428 1262 K N 3.855 124.241 120.400 -0.023 0.000 3.077 1262 K HA -0.273 4.046 4.320 -0.001 0.000 0.264 1262 K C 1.216 177.815 176.600 -0.001 0.000 1.008 1262 K CA 0.729 57.011 56.287 -0.010 0.000 0.740 1262 K CB -1.330 31.168 32.500 -0.003 0.000 1.273 1262 K HN 1.533 nan 8.250 nan 0.000 0.477 1263 G N 0.183 108.979 108.800 -0.007 0.000 2.299 1263 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.237 1263 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.237 1263 G C -0.114 174.834 174.900 0.080 0.000 1.027 1263 G CA 0.370 45.489 45.100 0.032 0.000 0.619 1263 G HN 0.496 nan 8.290 nan 0.000 0.513 1264 E N 1.611 121.837 120.200 0.044 0.000 2.217 1264 E HA 0.376 4.726 4.350 -0.001 0.000 0.279 1264 E C -0.175 176.462 176.600 0.062 0.000 1.068 1264 E CA -0.536 55.905 56.400 0.069 0.000 0.882 1264 E CB 0.118 29.836 29.700 0.030 0.000 1.039 1264 E HN 0.539 nan 8.360 nan 0.000 0.418 1265 H N 3.508 122.563 119.070 -0.026 0.000 2.562 1265 H HA 0.317 4.872 4.556 -0.001 0.000 0.352 1265 H C -0.309 174.982 175.328 -0.061 0.000 1.125 1265 H CA 0.026 56.054 56.048 -0.033 0.000 1.379 1265 H CB 0.906 30.645 29.762 -0.038 0.000 1.464 1265 H HN 0.316 nan 8.280 nan 0.000 0.563 1266 K N 1.714 122.130 120.400 0.027 0.000 2.535 1266 K HA 0.202 4.521 4.320 -0.001 0.000 0.250 1266 K C -1.097 175.375 176.600 -0.213 0.000 0.948 1266 K CA -0.585 55.614 56.287 -0.147 0.000 0.796 1266 K CB 2.052 34.453 32.500 -0.165 0.000 1.216 1266 K HN 0.692 nan 8.250 nan 0.000 0.432 1267 E N 3.436 123.436 120.200 -0.333 0.000 2.202 1267 E HA 0.389 4.739 4.350 -0.001 0.000 0.272 1267 E C -1.440 174.882 176.600 -0.462 0.000 0.951 1267 E CA -0.670 55.600 56.400 -0.215 0.000 0.813 1267 E CB 0.862 30.505 29.700 -0.096 0.000 1.151 1267 E HN 0.344 nan 8.360 nan 0.000 0.398 1268 F N 4.031 123.981 119.950 0.000 0.000 2.610 1268 F HA 0.318 4.845 4.527 -0.001 0.000 0.355 1268 F C -0.278 175.542 175.800 0.033 0.000 1.140 1268 F CA -0.655 57.348 58.000 0.006 0.000 1.037 1268 F CB 0.943 39.934 39.000 -0.016 0.000 1.287 1268 F HN 0.283 nan 8.300 nan 0.000 0.457 1269 L N 3.838 125.160 121.223 0.164 0.000 2.439 1269 L HA 0.273 4.613 4.340 -0.001 0.000 0.269 1269 L C 0.337 177.314 176.870 0.178 0.000 1.179 1269 L CA -0.495 54.425 54.840 0.133 0.000 0.828 1269 L CB 0.574 42.676 42.059 0.072 0.000 1.106 1269 L HN 0.480 nan 8.230 nan 0.000 0.467 1270 L N 2.817 124.133 121.223 0.155 0.000 2.473 1270 L HA 0.165 4.505 4.340 -0.001 0.000 0.268 1270 L C -1.783 175.130 176.870 0.073 0.000 1.215 1270 L CA -1.636 53.290 54.840 0.143 0.000 0.823 1270 L CB -0.141 41.991 42.059 0.122 0.000 1.099 1270 L HN 0.409 nan 8.230 nan 0.000 0.483 1271 P HA 0.029 nan 4.420 nan 0.000 0.269 1271 P C -1.979 175.308 177.300 -0.021 0.000 1.217 1271 P CA -0.892 62.183 63.100 -0.041 0.000 0.783 1271 P CB -0.105 31.508 31.700 -0.145 0.000 0.898 1272 P HA -0.065 nan 4.420 nan 0.000 0.217 1272 P C 0.114 177.403 177.300 -0.019 0.000 1.151 1272 P CA 1.228 64.321 63.100 -0.011 0.000 0.828 1272 P CB 0.080 31.772 31.700 -0.013 0.000 0.788 1273 V N -4.284 115.607 119.914 -0.038 0.000 2.823 1273 V HA 0.659 4.779 4.120 -0.001 0.000 0.312 1273 V C -2.956 173.099 176.094 -0.065 0.000 1.072 1273 V CA -2.854 59.420 62.300 -0.044 0.000 0.937 1273 V CB 1.457 33.251 31.823 -0.049 0.000 1.013 1273 V HN -0.199 nan 8.190 nan 0.000 0.430 1274 P HA 0.595 nan 4.420 nan 0.000 0.284 1274 P C -0.241 177.055 177.300 -0.008 0.000 1.287 1274 P CA -0.605 62.474 63.100 -0.035 0.000 0.824 1274 P CB 1.649 33.326 31.700 -0.038 0.000 1.180 1275 K N -0.747 119.650 120.400 -0.004 0.000 2.387 1275 K HA 0.185 4.504 4.320 -0.001 0.000 0.197 1275 K C -0.009 176.601 176.600 0.016 0.000 1.127 1275 K CA 0.413 56.705 56.287 0.008 0.000 0.950 1275 K CB 0.175 32.676 32.500 0.001 0.000 1.017 1275 K HN 0.372 nan 8.250 nan 0.000 0.519 1276 N N 0.659 119.363 118.700 0.007 0.000 3.114 1276 N HA 0.173 4.912 4.740 -0.001 0.000 0.289 1276 N C -1.361 174.153 175.510 0.008 0.000 1.519 1276 N CA -0.410 52.644 53.050 0.007 0.000 1.026 1276 N CB 0.824 39.307 38.487 -0.006 0.000 1.306 1276 N HN 0.019 nan 8.380 nan 0.000 0.495 1277 C N 0.309 119.627 119.300 0.030 0.000 2.534 1277 C HA 0.117 4.576 4.460 -0.001 0.000 0.385 1277 C C 2.003 176.979 174.990 -0.023 0.000 1.264 1277 C CA -0.531 58.508 59.018 0.034 0.000 2.342 1277 C CB 0.046 27.845 27.740 0.098 0.000 2.564 1277 C HN 0.696 nan 8.230 nan 0.000 0.603 1278 N N 0.279 118.906 118.700 -0.121 0.000 2.149 1278 N HA -0.096 4.644 4.740 -0.001 0.000 0.188 1278 N C -0.445 174.750 175.510 -0.525 0.000 1.019 1278 N CA 1.368 54.182 53.050 -0.393 0.000 0.857 1278 N CB -0.055 38.047 38.487 -0.641 0.000 0.997 1278 N HN 0.561 nan 8.380 nan 0.000 0.426 1279 F N 0.787 120.821 119.950 0.141 0.000 2.522 1279 F HA 0.211 4.738 4.527 -0.001 0.000 0.324 1279 F C 0.169 176.131 175.800 0.269 0.000 1.077 1279 F CA -1.856 56.272 58.000 0.213 0.000 0.944 1279 F CB 0.783 39.911 39.000 0.214 0.000 1.175 1279 F HN -0.063 nan 8.300 nan 0.000 0.468 1280 D N 1.185 121.897 120.400 0.520 0.000 2.399 1280 D HA -0.002 4.637 4.640 -0.001 0.000 0.241 1280 D C -0.074 176.479 176.300 0.421 0.000 1.133 1280 D CA 0.082 54.309 54.000 0.380 0.000 0.890 1280 D CB 0.785 41.733 40.800 0.247 0.000 1.201 1280 D HN 0.626 nan 8.370 nan 0.000 0.432 1281 N N 0.780 119.660 118.700 0.299 0.000 2.800 1281 N HA -0.145 4.594 4.740 -0.001 0.000 0.250 1281 N C 1.336 177.176 175.510 0.549 0.000 1.078 1281 N CA 1.015 54.259 53.050 0.324 0.000 0.804 1281 N CB -1.645 36.944 38.487 0.171 0.000 1.135 1281 N HN 0.755 nan 8.380 nan 0.000 0.565 1282 G N 0.177 109.269 108.800 0.487 0.000 2.517 1282 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.222 1282 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.222 1282 G C 1.591 176.689 174.900 0.330 0.000 1.109 1282 G CA 1.591 46.945 45.100 0.424 0.000 0.746 1282 G HN 0.671 nan 8.290 nan 0.000 0.576 1283 A N 0.698 123.646 122.820 0.213 0.000 2.024 1283 A HA 0.119 4.438 4.320 -0.001 0.000 0.220 1283 A C 2.590 180.158 177.584 -0.026 0.000 1.164 1283 A CA 1.914 53.982 52.037 0.052 0.000 0.643 1283 A CB -0.774 18.230 19.000 0.006 0.000 0.806 1283 A HN 0.591 nan 8.150 nan 0.000 0.451 1284 G N -1.140 107.756 108.800 0.160 0.000 2.625 1284 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.214 1284 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.214 1284 G C 1.355 176.319 174.900 0.107 0.000 1.132 1284 G CA 0.712 45.703 45.100 -0.180 0.000 0.782 1284 G HN 0.509 nan 8.290 nan 0.000 0.538 1285 M N 1.660 121.508 119.600 0.414 0.000 2.446 1285 M HA -0.109 4.370 4.480 -0.001 0.000 0.263 1285 M C 2.867 179.224 176.300 0.095 0.000 1.066 1285 M CA 1.367 56.893 55.300 0.378 0.000 1.087 1285 M CB -0.176 32.582 32.600 0.263 0.000 1.406 1285 M HN 0.415 nan 8.290 nan 0.000 0.459 1286 S N -0.003 115.562 115.700 -0.224 0.000 2.382 1286 S HA -0.188 4.281 4.470 -0.001 0.000 0.228 1286 S C 1.630 176.089 174.600 -0.236 0.000 1.027 1286 S CA 1.106 59.098 58.200 -0.347 0.000 0.991 1286 S CB -0.889 62.014 63.200 -0.494 0.000 0.823 1286 S HN 0.468 nan 8.310 nan 0.000 0.469 1287 Y N 3.213 123.490 120.300 -0.039 0.000 2.165 1287 Y HA -0.103 4.446 4.550 -0.001 0.000 0.286 1287 Y C 2.778 178.684 175.900 0.010 0.000 1.155 1287 Y CA 1.151 59.251 58.100 -0.001 0.000 1.164 1287 Y CB -0.874 37.570 38.460 -0.027 0.000 0.978 1287 Y HN 0.625 nan 8.280 nan 0.000 0.513 1288 E N 0.011 120.311 120.200 0.166 0.000 2.107 1288 E HA -0.126 4.224 4.350 -0.001 0.000 0.191 1288 E C 2.346 178.978 176.600 0.054 0.000 0.982 1288 E CA 0.970 57.290 56.400 -0.134 0.000 0.809 1288 E CB -0.523 29.245 29.700 0.114 0.000 0.756 1288 E HN 0.304 nan 8.360 nan 0.000 0.459 1289 A N 2.177 125.090 122.820 0.155 0.000 1.883 1289 A HA -0.219 4.100 4.320 -0.001 0.000 0.217 1289 A C 2.165 179.883 177.584 0.222 0.000 1.186 1289 A CA 1.907 54.052 52.037 0.179 0.000 0.624 1289 A CB -0.445 18.415 19.000 -0.234 0.000 0.822 1289 A HN 0.180 nan 8.150 nan 0.000 0.444 1290 K N -1.683 118.778 120.400 0.103 0.000 2.097 1290 K HA -0.170 4.149 4.320 -0.001 0.000 0.205 1290 K C 2.065 178.753 176.600 0.147 0.000 1.050 1290 K CA 1.523 57.914 56.287 0.173 0.000 0.938 1290 K CB -0.324 32.257 32.500 0.134 0.000 0.718 1290 K HN 0.738 nan 8.250 nan 0.000 0.442 1291 H N 0.910 119.965 119.070 -0.026 0.000 2.353 1291 H HA -0.085 4.470 4.556 -0.001 0.000 0.300 1291 H C 1.822 177.118 175.328 -0.053 0.000 1.090 1291 H CA 1.542 57.526 56.048 -0.108 0.000 1.327 1291 H CB -0.068 29.396 29.762 -0.496 0.000 1.383 1291 H HN -0.121 nan 8.280 nan 0.000 0.508 1292 V N 0.711 120.607 119.914 -0.029 0.000 2.287 1292 V HA -0.278 3.841 4.120 -0.001 0.000 0.248 1292 V C 2.657 178.584 176.094 -0.278 0.000 1.053 1292 V CA 2.246 64.462 62.300 -0.141 0.000 1.027 1292 V CB -0.611 31.302 31.823 0.151 0.000 0.646 1292 V HN 0.413 nan 8.190 nan 0.000 0.447 1293 R N 0.128 120.595 120.500 -0.054 0.000 2.080 1293 R HA -0.228 4.111 4.340 -0.001 0.000 0.236 1293 R C 2.348 178.538 176.300 -0.184 0.000 1.137 1293 R CA 2.233 58.255 56.100 -0.130 0.000 0.943 1293 R CB -0.284 29.989 30.300 -0.045 0.000 0.846 1293 R HN 0.655 nan 8.270 nan 0.000 0.431 1294 E N -0.293 119.822 120.200 -0.142 0.000 2.097 1294 E HA -0.264 4.085 4.350 -0.001 0.000 0.196 1294 E C 2.211 178.693 176.600 -0.197 0.000 1.000 1294 E CA 1.723 58.039 56.400 -0.140 0.000 0.804 1294 E CB -0.240 29.404 29.700 -0.092 0.000 0.740 1294 E HN 0.452 nan 8.360 nan 0.000 0.454 1295 C N 0.651 119.760 119.300 -0.318 0.000 2.432 1295 C HA -0.106 4.353 4.460 -0.001 0.000 0.277 1295 C C 2.629 177.457 174.990 -0.271 0.000 1.249 1295 C CA 0.414 59.270 59.018 -0.270 0.000 1.725 1295 C CB -0.921 26.663 27.740 -0.260 0.000 2.028 1295 C HN 0.387 nan 8.230 nan 0.000 0.477 1296 L N 0.140 121.114 121.223 -0.415 0.000 2.056 1296 L HA -0.142 4.197 4.340 -0.001 0.000 0.207 1296 L C 2.893 179.642 176.870 -0.201 0.000 1.078 1296 L CA 1.468 56.100 54.840 -0.346 0.000 0.749 1296 L CB -0.616 41.190 42.059 -0.422 0.000 0.901 1296 L HN 0.327 nan 8.230 nan 0.000 0.433 1297 R N 0.358 120.749 120.500 -0.181 0.000 2.105 1297 R HA -0.172 4.168 4.340 -0.001 0.000 0.239 1297 R C 1.908 178.156 176.300 -0.085 0.000 1.135 1297 R CA 1.356 57.383 56.100 -0.122 0.000 0.967 1297 R CB -0.136 30.100 30.300 -0.107 0.000 0.861 1297 R HN 0.298 nan 8.270 nan 0.000 0.442 1298 K N -0.628 119.726 120.400 -0.078 0.000 2.487 1298 K HA 0.082 4.402 4.320 -0.001 0.000 0.192 1298 K C 0.757 177.339 176.600 -0.030 0.000 1.027 1298 K CA 0.517 56.779 56.287 -0.041 0.000 1.054 1298 K CB 0.588 33.075 32.500 -0.022 0.000 0.824 1298 K HN 0.382 nan 8.250 nan 0.000 0.510 1299 G N 1.639 110.410 108.800 -0.047 0.000 2.153 1299 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.252 1299 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.252 1299 G C 0.082 174.993 174.900 0.018 0.000 0.994 1299 G CA -0.120 44.966 45.100 -0.023 0.000 0.698 1299 G HN 0.184 nan 8.290 nan 0.000 0.521 1300 L N -0.579 120.666 121.223 0.038 0.000 2.467 1300 L HA 0.319 4.658 4.340 -0.001 0.000 0.270 1300 L C 1.371 178.385 176.870 0.240 0.000 1.205 1300 L CA -0.286 54.628 54.840 0.123 0.000 0.828 1300 L CB 0.407 42.557 42.059 0.153 0.000 1.101 1300 L HN -0.109 nan 8.230 nan 0.000 0.479 1301 K N 1.459 121.983 120.400 0.206 0.000 2.358 1301 K HA 0.175 4.495 4.320 -0.001 0.000 0.197 1301 K C -0.079 176.551 176.600 0.050 0.000 1.025 1301 K CA 0.187 56.586 56.287 0.186 0.000 1.104 1301 K CB 0.303 32.846 32.500 0.072 0.000 0.855 1301 K HN 0.790 nan 8.250 nan 0.000 0.531 1302 E N -1.753 118.502 120.200 0.091 0.000 2.432 1302 E HA 0.208 4.557 4.350 -0.001 0.000 0.279 1302 E C -1.343 175.356 176.600 0.165 0.000 1.099 1302 E CA -0.765 55.537 56.400 -0.164 0.000 0.859 1302 E CB 0.673 30.297 29.700 -0.126 0.000 1.402 1302 E HN -0.168 nan 8.360 nan 0.000 0.451 1303 S N 0.711 116.513 115.700 0.169 0.000 2.513 1303 S HA 0.295 4.765 4.470 -0.001 0.000 0.276 1303 S C -1.630 173.137 174.600 0.277 0.000 1.254 1303 S CA -1.588 56.854 58.200 0.404 0.000 1.053 1303 S CB 0.776 64.312 63.200 0.561 0.000 0.958 1303 S HN 0.439 nan 8.310 nan 0.000 0.491 1304 P HA -0.013 nan 4.420 nan 0.000 0.230 1304 P C 1.096 178.485 177.300 0.149 0.000 1.158 1304 P CA 0.507 63.715 63.100 0.181 0.000 0.769 1304 P CB 0.067 31.865 31.700 0.162 0.000 0.807 1305 V N -0.464 119.571 119.914 0.202 0.000 2.685 1305 V HA 0.046 4.165 4.120 -0.001 0.000 0.244 1305 V C 1.491 177.584 176.094 -0.001 0.000 1.054 1305 V CA 1.080 63.400 62.300 0.035 0.000 1.076 1305 V CB -0.307 31.448 31.823 -0.113 0.000 0.725 1305 V HN -0.013 nan 8.190 nan 0.000 0.467 1306 I N 2.167 122.810 120.570 0.121 0.000 2.750 1306 I HA 0.326 4.495 4.170 -0.001 0.000 0.279 1306 I C -2.717 173.449 176.117 0.081 0.000 1.206 1306 I CA -1.754 59.597 61.300 0.085 0.000 1.101 1306 I CB 1.255 39.330 38.000 0.124 0.000 1.431 1306 I HN 0.108 nan 8.210 nan 0.000 0.551 1307 P HA 0.157 nan 4.420 nan 0.000 0.272 1307 P C 1.080 178.380 177.300 0.001 0.000 1.223 1307 P CA -0.213 62.905 63.100 0.030 0.000 0.784 1307 P CB 1.337 33.056 31.700 0.032 0.000 0.923 1308 L N 2.102 123.309 121.223 -0.027 0.000 2.079 1308 L HA -0.162 4.177 4.340 -0.001 0.000 0.210 1308 L C 2.500 179.359 176.870 -0.018 0.000 1.081 1308 L CA 1.220 56.037 54.840 -0.038 0.000 0.752 1308 L CB -0.789 41.235 42.059 -0.058 0.000 0.896 1308 L HN 0.233 nan 8.230 nan 0.000 0.433 1309 V N -0.184 119.726 119.914 -0.008 0.000 2.626 1309 V HA -0.255 3.864 4.120 -0.001 0.000 0.252 1309 V C 2.383 178.481 176.094 0.006 0.000 1.067 1309 V CA 1.925 64.225 62.300 -0.001 0.000 1.081 1309 V CB -0.030 31.795 31.823 0.004 0.000 0.686 1309 V HN 0.516 nan 8.190 nan 0.000 0.468 1310 E N -0.811 119.395 120.200 0.009 0.000 2.076 1310 E HA -0.135 4.215 4.350 -0.001 0.000 0.190 1310 E C 2.364 178.969 176.600 0.009 0.000 0.979 1310 E CA 1.045 57.453 56.400 0.015 0.000 0.807 1310 E CB -0.034 29.675 29.700 0.016 0.000 0.761 1310 E HN 0.591 nan 8.360 nan 0.000 0.454 1311 S N 0.829 116.530 115.700 0.000 0.000 2.392 1311 S HA -0.222 4.248 4.470 -0.001 0.000 0.232 1311 S C 1.653 176.248 174.600 -0.009 0.000 1.041 1311 S CA 1.534 59.729 58.200 -0.008 0.000 1.026 1311 S CB -0.223 62.966 63.200 -0.018 0.000 0.845 1311 S HN 0.331 nan 8.310 nan 0.000 0.465 1312 E N 0.252 120.448 120.200 -0.007 0.000 2.047 1312 E HA -0.122 4.228 4.350 -0.001 0.000 0.191 1312 E C 2.122 178.724 176.600 0.003 0.000 0.987 1312 E CA 0.971 57.368 56.400 -0.005 0.000 0.799 1312 E CB -0.236 29.460 29.700 -0.006 0.000 0.752 1312 E HN 0.295 nan 8.360 nan 0.000 0.449 1313 L N 1.196 122.425 121.223 0.010 0.000 2.046 1313 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 1313 L C 2.017 178.903 176.870 0.027 0.000 1.077 1313 L CA 1.552 56.403 54.840 0.019 0.000 0.747 1313 L CB -0.332 41.744 42.059 0.029 0.000 0.896 1313 L HN 0.112 nan 8.230 nan 0.000 0.432 1314 L N -0.602 120.635 121.223 0.023 0.000 2.046 1314 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 1314 L C 2.677 179.556 176.870 0.014 0.000 1.077 1314 L CA 1.215 56.068 54.840 0.022 0.000 0.747 1314 L CB -1.064 40.996 42.059 0.003 0.000 0.896 1314 L HN 0.394 nan 8.230 nan 0.000 0.432 1315 A N -0.178 122.644 122.820 0.002 0.000 1.898 1315 A HA -0.198 4.121 4.320 -0.001 0.000 0.216 1315 A C 1.925 179.518 177.584 0.014 0.000 1.181 1315 A CA 1.709 53.745 52.037 -0.001 0.000 0.620 1315 A CB -0.442 18.550 19.000 -0.012 0.000 0.819 1315 A HN 0.347 nan 8.150 nan 0.000 0.442 1316 D N 0.234 120.644 120.400 0.016 0.000 2.123 1316 D HA -0.146 4.494 4.640 -0.001 0.000 0.196 1316 D C 1.854 178.173 176.300 0.031 0.000 0.992 1316 D CA 1.282 55.293 54.000 0.019 0.000 0.833 1316 D CB -0.349 40.459 40.800 0.012 0.000 0.954 1316 D HN 0.531 nan 8.370 nan 0.000 0.455 1317 I N 0.180 120.777 120.570 0.043 0.000 2.202 1317 I HA -0.231 3.938 4.170 -0.001 0.000 0.242 1317 I C 2.368 178.539 176.117 0.090 0.000 1.091 1317 I CA 0.470 61.812 61.300 0.070 0.000 1.368 1317 I CB -0.065 37.995 38.000 0.100 0.000 1.058 1317 I HN -0.022 nan 8.210 nan 0.000 0.410 1318 L N 0.918 122.190 121.223 0.081 0.000 2.093 1318 L HA -0.215 4.125 4.340 -0.001 0.000 0.208 1318 L C 2.493 179.414 176.870 0.085 0.000 1.085 1318 L CA 1.876 56.773 54.840 0.094 0.000 0.755 1318 L CB -0.523 41.568 42.059 0.052 0.000 0.904 1318 L HN 0.268 nan 8.230 nan 0.000 0.435 1319 E N -0.810 119.428 120.200 0.063 0.000 2.107 1319 E HA -0.269 4.081 4.350 -0.001 0.000 0.191 1319 E C 2.078 178.707 176.600 0.047 0.000 0.982 1319 E CA 1.186 57.621 56.400 0.059 0.000 0.809 1319 E CB -0.185 29.543 29.700 0.047 0.000 0.756 1319 E HN 0.611 nan 8.360 nan 0.000 0.459 1320 E N -0.015 120.211 120.200 0.043 0.000 2.106 1320 E HA -0.155 4.195 4.350 -0.001 0.000 0.192 1320 E C 2.050 178.671 176.600 0.035 0.000 0.984 1320 E CA 1.185 57.604 56.400 0.032 0.000 0.806 1320 E CB 0.175 29.890 29.700 0.025 0.000 0.750 1320 E HN 0.203 nan 8.360 nan 0.000 0.458 1321 V N 2.095 122.045 119.914 0.059 0.000 2.261 1321 V HA -0.295 3.825 4.120 -0.001 0.000 0.246 1321 V C 2.603 178.724 176.094 0.045 0.000 1.047 1321 V CA 2.429 64.766 62.300 0.061 0.000 1.015 1321 V CB -0.668 31.227 31.823 0.120 0.000 0.642 1321 V HN 0.409 nan 8.190 nan 0.000 0.446 1322 R N 0.226 120.759 120.500 0.055 0.000 2.189 1322 R HA -0.069 4.271 4.340 -0.001 0.000 0.218 1322 R C 2.208 178.507 176.300 -0.002 0.000 1.074 1322 R CA 1.161 57.279 56.100 0.029 0.000 0.991 1322 R CB -0.444 29.880 30.300 0.040 0.000 0.883 1322 R HN 0.362 nan 8.270 nan 0.000 0.457 1323 R N 0.770 121.274 120.500 0.006 0.000 2.115 1323 R HA 0.007 4.346 4.340 -0.001 0.000 0.230 1323 R C 2.395 178.690 176.300 -0.008 0.000 1.111 1323 R CA 1.335 57.432 56.100 -0.005 0.000 0.976 1323 R CB -0.299 30.003 30.300 0.004 0.000 0.870 1323 R HN 0.356 nan 8.270 nan 0.000 0.445 1324 A N 1.533 124.351 122.820 -0.003 0.000 1.978 1324 A HA -0.128 4.191 4.320 -0.001 0.000 0.220 1324 A C 1.946 179.522 177.584 -0.013 0.000 1.170 1324 A CA 1.350 53.382 52.037 -0.008 0.000 0.636 1324 A CB -0.492 18.503 19.000 -0.008 0.000 0.810 1324 A HN 0.491 nan 8.150 nan 0.000 0.448 1325 I N -5.642 114.920 120.570 -0.013 0.000 3.941 1325 I HA 0.542 4.711 4.170 -0.001 0.000 0.335 1325 I C 1.034 177.136 176.117 -0.024 0.000 1.402 1325 I CA 0.453 61.743 61.300 -0.017 0.000 1.112 1325 I CB 0.056 38.049 38.000 -0.011 0.000 1.043 1325 I HN 0.309 nan 8.210 nan 0.000 0.395 1326 G N 1.590 110.372 108.800 -0.030 0.000 2.157 1326 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.248 1326 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.248 1326 G C 0.091 174.954 174.900 -0.063 0.000 0.979 1326 G CA 0.072 45.149 45.100 -0.039 0.000 0.650 1326 G HN 0.286 nan 8.290 nan 0.000 0.529 1327 V N 2.440 122.304 119.914 -0.084 0.000 2.408 1327 V HA 0.616 4.735 4.120 -0.001 0.000 0.267 1327 V C 0.867 176.806 176.094 -0.259 0.000 1.047 1327 V CA 0.566 62.767 62.300 -0.165 0.000 0.937 1327 V CB 0.925 32.651 31.823 -0.163 0.000 0.999 1327 V HN 0.779 nan 8.190 nan 0.000 0.472 1328 T N 2.378 116.769 114.554 -0.271 0.000 2.887 1328 T HA 0.783 5.133 4.350 -0.001 0.000 0.288 1328 T C -0.905 173.612 174.700 -0.305 0.000 1.021 1328 T CA -0.568 61.393 62.100 -0.231 0.000 1.000 1328 T CB 1.612 70.454 68.868 -0.043 0.000 1.034 1328 T HN 0.111 nan 8.240 nan 0.000 0.467 1329 F N 2.009 122.015 119.950 0.094 0.000 2.507 1329 F HA 0.507 5.033 4.527 -0.002 0.000 0.327 1329 F C -1.321 174.499 175.800 0.033 0.000 1.068 1329 F CA -2.432 55.571 58.000 0.005 0.000 0.965 1329 F CB 1.491 40.414 39.000 -0.128 0.000 1.192 1329 F HN 0.348 nan 8.300 nan 0.000 0.476 1330 P HA -0.242 nan 4.420 nan 0.000 0.216 1330 P C 0.843 178.197 177.300 0.090 0.000 1.154 1330 P CA 1.699 64.887 63.100 0.146 0.000 0.865 1330 P CB 0.156 31.915 31.700 0.098 0.000 0.789 1331 Q N -0.244 119.592 119.800 0.061 0.000 2.443 1331 Q HA -0.087 4.252 4.340 -0.001 0.000 0.213 1331 Q C 0.849 176.880 176.000 0.053 0.000 0.982 1331 Q CA 0.774 56.598 55.803 0.034 0.000 0.894 1331 Q CB -0.741 27.993 28.738 -0.007 0.000 0.947 1331 Q HN 0.482 nan 8.270 nan 0.000 0.480 1332 D N 0.000 120.450 120.400 0.083 0.000 6.856 1332 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 1332 D CA 0.000 54.039 54.000 0.064 0.000 0.868 1332 D CB 0.000 40.843 40.800 0.072 0.000 0.688 1332 D HN 0.000 nan 8.370 nan 0.000 0.683