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 1bmv_1_1 DATA FIRST_RESID 1001 DATA SEQUENCE SISQQTVWNQ MATVRTPLNF DSSKQSFCQF SVDLLGGGIS VDKTGDWITL DATA SEQUENCE VQNSPISNLL RVAAWKKGCL MVKVVMSGNA AVKRSDWASL VQVFLTNSNS DATA SEQUENCE TEHFDACRWT KSEPHSWELI FPIEVCGPNN GFEMWSSEWA NQTSWHLSFL DATA SEQUENCE VDNPKQSTTF DVLLGISQNF EIAGNTLMPA FSVPQ 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 1001 S HA 0.000 nan 4.470 nan 0.000 0.327 1001 S C 0.000 174.602 174.600 0.003 0.000 1.055 1001 S CA 0.000 58.203 58.200 0.005 0.000 1.107 1001 S CB 0.000 63.202 63.200 0.003 0.000 0.593 1002 I N 2.316 122.887 120.570 0.001 0.000 2.497 1002 I HA 0.569 4.739 4.170 0.000 0.000 0.284 1002 I C -1.025 175.084 176.117 -0.013 0.000 1.060 1002 I CA -0.081 61.218 61.300 -0.002 0.000 1.071 1002 I CB 1.650 39.652 38.000 0.003 0.000 1.216 1002 I HN 0.659 nan 8.210 nan 0.000 0.442 1003 S N 5.355 121.044 115.700 -0.018 0.000 2.547 1003 S HA 0.735 5.205 4.470 0.000 0.000 0.270 1003 S C -1.249 173.333 174.600 -0.031 0.000 1.150 1003 S CA -0.744 57.437 58.200 -0.032 0.000 0.850 1003 S CB 2.664 65.844 63.200 -0.033 0.000 1.118 1003 S HN 0.611 nan 8.310 nan 0.000 0.461 1004 Q N 0.305 120.078 119.800 -0.045 0.000 2.391 1004 Q HA 0.395 4.735 4.340 0.000 0.000 0.279 1004 Q C -1.784 174.182 176.000 -0.058 0.000 1.028 1004 Q CA -0.463 55.316 55.803 -0.039 0.000 0.836 1004 Q CB 2.154 30.874 28.738 -0.029 0.000 1.414 1004 Q HN 0.812 nan 8.270 nan 0.000 0.397 1005 Q N 0.835 120.611 119.800 -0.040 0.000 2.235 1005 Q HA 0.286 4.626 4.340 0.000 0.000 0.250 1005 Q C -0.406 175.583 176.000 -0.018 0.000 0.909 1005 Q CA 0.364 56.142 55.803 -0.042 0.000 0.910 1005 Q CB 1.391 30.117 28.738 -0.019 0.000 1.223 1005 Q HN 0.956 nan 8.270 nan 0.000 0.432 1006 T N -1.275 113.266 114.554 -0.022 0.000 4.093 1006 T HA -0.167 4.183 4.350 0.000 0.000 0.334 1006 T C -0.082 174.700 174.700 0.136 0.000 0.773 1006 T CA 0.902 63.052 62.100 0.084 0.000 1.900 1006 T CB -1.892 67.048 68.868 0.119 0.000 1.911 1006 T HN 0.512 nan 8.240 nan 0.000 0.844 1007 V N -0.157 119.763 119.914 0.009 0.000 2.277 1007 V HA 0.691 4.811 4.120 0.000 0.000 0.269 1007 V C -0.246 175.853 176.094 0.010 0.000 1.036 1007 V CA -1.077 61.253 62.300 0.050 0.000 0.821 1007 V CB 0.187 32.015 31.823 0.008 0.000 1.052 1007 V HN 0.377 nan 8.190 nan 0.000 0.462 1008 W N 4.292 125.568 121.300 -0.041 0.000 2.485 1008 W HA 0.691 5.351 4.660 0.000 0.000 0.364 1008 W C 0.111 176.596 176.519 -0.055 0.000 1.171 1008 W CA -0.454 56.858 57.345 -0.054 0.000 1.304 1008 W CB 1.200 30.626 29.460 -0.057 0.000 1.335 1008 W HN 0.767 nan 8.180 nan 0.000 0.643 1009 N N -0.426 118.402 118.700 0.213 0.000 2.287 1009 N HA 0.300 5.040 4.740 0.000 0.000 0.289 1009 N C -1.283 174.257 175.510 0.050 0.000 1.066 1009 N CA -1.139 51.965 53.050 0.091 0.000 0.841 1009 N CB 1.553 40.060 38.487 0.033 0.000 1.599 1009 N HN 0.431 nan 8.380 nan 0.000 0.476 1010 Q N 0.766 120.573 119.800 0.012 0.000 2.354 1010 Q HA -0.074 4.266 4.340 0.000 0.000 0.310 1010 Q C -0.028 175.955 176.000 -0.028 0.000 1.104 1010 Q CA 0.852 56.643 55.803 -0.020 0.000 0.968 1010 Q CB 0.794 29.514 28.738 -0.029 0.000 1.251 1010 Q HN 0.831 nan 8.270 nan 0.000 0.411 1011 M N 0.615 120.196 119.600 -0.031 0.000 1.918 1011 M HA 0.337 4.817 4.480 0.000 0.000 0.192 1011 M C -1.101 175.186 176.300 -0.022 0.000 1.474 1011 M CA 0.438 55.718 55.300 -0.035 0.000 0.927 1011 M CB 0.995 33.581 32.600 -0.022 0.000 1.567 1011 M HN 0.521 nan 8.290 nan 0.000 0.581 1012 A N 0.570 123.388 122.820 -0.003 0.000 2.355 1012 A HA 0.781 5.101 4.320 0.000 0.000 0.324 1012 A C -0.858 176.730 177.584 0.007 0.000 1.117 1012 A CA -0.391 51.658 52.037 0.021 0.000 0.785 1012 A CB 1.658 20.703 19.000 0.075 0.000 1.254 1012 A HN 0.314 nan 8.150 nan 0.000 0.453 1013 T N 1.391 115.950 114.554 0.009 0.000 3.566 1013 T HA 0.393 4.743 4.350 0.000 0.000 0.330 1013 T C -1.411 173.279 174.700 -0.016 0.000 0.877 1013 T CA -0.176 61.916 62.100 -0.014 0.000 1.030 1013 T CB 0.752 69.598 68.868 -0.036 0.000 1.033 1013 T HN 0.541 nan 8.240 nan 0.000 0.463 1014 V N 4.482 124.382 119.914 -0.024 0.000 2.417 1014 V HA 0.619 4.739 4.120 0.000 0.000 0.291 1014 V C 0.209 176.227 176.094 -0.125 0.000 1.024 1014 V CA -0.733 61.507 62.300 -0.100 0.000 0.861 1014 V CB 1.775 33.391 31.823 -0.345 0.000 0.985 1014 V HN 0.595 nan 8.190 nan 0.000 0.436 1015 R N 2.049 122.508 120.500 -0.070 0.000 2.711 1015 R HA 0.620 4.960 4.340 0.000 0.000 0.284 1015 R C -0.647 175.560 176.300 -0.154 0.000 0.968 1015 R CA -0.520 55.497 56.100 -0.139 0.000 0.924 1015 R CB 2.257 32.482 30.300 -0.125 0.000 1.162 1015 R HN 0.744 nan 8.270 nan 0.000 0.465 1016 T N 4.060 118.384 114.554 -0.384 0.000 2.909 1016 T HA 0.296 4.646 4.350 0.000 0.000 0.286 1016 T C -2.403 171.887 174.700 -0.683 0.000 1.002 1016 T CA -1.473 60.178 62.100 -0.749 0.000 1.074 1016 T CB 1.266 69.765 68.868 -0.616 0.000 0.984 1016 T HN 0.377 nan 8.240 nan 0.000 0.495 1017 P HA 0.118 nan 4.420 nan 0.000 0.265 1017 P C 0.239 177.330 177.300 -0.349 0.000 1.193 1017 P CA -0.207 62.538 63.100 -0.592 0.000 0.765 1017 P CB 0.513 31.828 31.700 -0.640 0.000 0.823 1018 L N 2.316 123.419 121.223 -0.199 0.000 2.162 1018 L HA -0.012 4.328 4.340 0.000 0.000 0.205 1018 L C 0.754 177.598 176.870 -0.043 0.000 1.086 1018 L CA 1.297 56.066 54.840 -0.119 0.000 0.778 1018 L CB -1.234 40.769 42.059 -0.093 0.000 0.928 1018 L HN 0.414 nan 8.230 nan 0.000 0.446 1019 N N -0.229 118.454 118.700 -0.028 0.000 2.482 1019 N HA 0.295 5.035 4.740 0.000 0.000 0.242 1019 N C -0.971 174.601 175.510 0.105 0.000 1.100 1019 N CA -0.035 53.024 53.050 0.016 0.000 0.946 1019 N CB 0.128 38.615 38.487 0.001 0.000 1.227 1019 N HN -0.012 nan 8.380 nan 0.000 0.508 1020 F N 1.300 121.184 119.950 -0.110 0.000 2.617 1020 F HA 0.287 4.814 4.527 0.000 0.000 0.325 1020 F C -1.262 174.487 175.800 -0.086 0.000 1.179 1020 F CA -1.385 56.549 58.000 -0.111 0.000 0.965 1020 F CB 1.520 40.433 39.000 -0.145 0.000 1.232 1020 F HN 0.270 nan 8.300 nan 0.000 0.461 1021 D N 3.307 123.391 120.400 -0.527 0.000 2.411 1021 D HA 0.083 4.723 4.640 0.000 0.000 0.225 1021 D C 0.650 176.584 176.300 -0.611 0.000 1.156 1021 D CA 0.409 54.155 54.000 -0.424 0.000 0.874 1021 D CB 1.474 42.102 40.800 -0.285 0.000 1.034 1021 D HN 0.430 nan 8.370 nan 0.000 0.502 1022 S N 2.217 117.670 115.700 -0.411 0.000 3.079 1022 S HA -0.056 4.414 4.470 0.000 0.000 0.245 1022 S C 0.223 174.680 174.600 -0.238 0.000 1.013 1022 S CA 0.216 58.236 58.200 -0.300 0.000 1.117 1022 S CB -0.460 62.673 63.200 -0.112 0.000 0.851 1022 S HN 0.248 nan 8.310 nan 0.000 0.523 1023 S N 0.768 116.290 115.700 -0.298 0.000 2.397 1023 S HA 0.455 4.925 4.470 0.000 0.000 0.190 1023 S C -0.547 173.927 174.600 -0.209 0.000 1.100 1023 S CA -0.720 57.361 58.200 -0.198 0.000 1.150 1023 S CB -0.016 63.102 63.200 -0.136 0.000 1.302 1023 S HN 0.680 nan 8.310 nan 0.000 0.417 1024 K N 1.402 121.671 120.400 -0.218 0.000 1.905 1024 K HA 0.147 4.467 4.320 0.000 0.000 0.084 1024 K C -0.373 176.076 176.600 -0.250 0.000 1.435 1024 K CA -0.307 55.867 56.287 -0.189 0.000 0.514 1024 K CB -1.288 31.111 32.500 -0.169 0.000 3.335 1024 K HN 0.360 nan 8.250 nan 0.000 0.671 1025 Q N -0.711 118.933 119.800 -0.260 0.000 2.402 1025 Q HA -0.070 4.270 4.340 0.000 0.000 0.192 1025 Q C 0.673 176.541 176.000 -0.219 0.000 1.002 1025 Q CA 0.791 56.439 55.803 -0.259 0.000 0.857 1025 Q CB -1.213 27.252 28.738 -0.456 0.000 3.432 1025 Q HN 0.554 nan 8.270 nan 0.000 0.516 1026 S N -0.134 115.531 115.700 -0.059 0.000 2.406 1026 S HA 0.121 4.591 4.470 0.000 0.000 0.228 1026 S C 0.618 175.418 174.600 0.334 0.000 1.020 1026 S CA 1.015 59.309 58.200 0.157 0.000 0.965 1026 S CB -0.254 63.072 63.200 0.211 0.000 0.798 1026 S HN 0.612 nan 8.310 nan 0.000 0.488 1027 F N 1.305 121.447 119.950 0.320 0.000 2.497 1027 F HA 0.798 5.325 4.527 0.000 0.000 0.331 1027 F C -0.050 175.973 175.800 0.372 0.000 1.060 1027 F CA -1.695 56.484 58.000 0.299 0.000 0.989 1027 F CB 0.499 39.644 39.000 0.242 0.000 1.245 1027 F HN 0.204 nan 8.300 nan 0.000 0.486 1028 C N 1.436 121.028 119.300 0.485 0.000 2.614 1028 C HA 0.808 5.268 4.460 0.000 0.000 0.320 1028 C C -1.014 174.378 174.990 0.670 0.000 1.200 1028 C CA -0.255 59.017 59.018 0.424 0.000 1.700 1028 C CB 1.449 29.180 27.740 -0.014 0.000 2.275 1028 C HN 1.034 nan 8.230 nan 0.000 0.492 1029 Q N 1.682 121.925 119.800 0.738 0.000 2.331 1029 Q HA 0.804 5.144 4.340 0.000 0.000 0.272 1029 Q C -1.210 175.118 176.000 0.547 0.000 1.062 1029 Q CA -0.394 55.775 55.803 0.611 0.000 0.806 1029 Q CB 2.266 31.282 28.738 0.463 0.000 1.312 1029 Q HN 0.887 nan 8.270 nan 0.000 0.431 1030 F N -1.074 119.018 119.950 0.237 0.000 2.693 1030 F HA 0.808 5.335 4.527 0.000 0.000 0.309 1030 F C -1.553 174.377 175.800 0.217 0.000 1.129 1030 F CA -0.691 57.331 58.000 0.037 0.000 0.948 1030 F CB 1.642 40.484 39.000 -0.263 0.000 1.315 1030 F HN 0.372 nan 8.300 nan 0.000 0.447 1031 S N 1.106 116.859 115.700 0.088 0.000 2.549 1031 S HA 0.828 5.298 4.470 0.000 0.000 0.280 1031 S C -1.902 172.813 174.600 0.192 0.000 1.109 1031 S CA -0.620 57.632 58.200 0.085 0.000 0.905 1031 S CB 2.145 65.432 63.200 0.144 0.000 1.081 1031 S HN 0.678 nan 8.310 nan 0.000 0.477 1032 V N 3.218 123.257 119.914 0.209 0.000 2.483 1032 V HA 0.376 4.496 4.120 0.000 0.000 0.297 1032 V C -0.910 175.275 176.094 0.151 0.000 1.027 1032 V CA -0.777 61.646 62.300 0.206 0.000 0.855 1032 V CB 1.841 33.808 31.823 0.240 0.000 0.995 1032 V HN 0.868 nan 8.190 nan 0.000 0.424 1033 D N 4.788 125.239 120.400 0.085 0.000 2.468 1033 D HA 0.196 4.836 4.640 0.000 0.000 0.218 1033 D C 0.869 177.172 176.300 0.005 0.000 1.155 1033 D CA -0.353 53.602 54.000 -0.075 0.000 0.924 1033 D CB 1.360 42.160 40.800 -0.000 0.000 1.029 1033 D HN 0.260 nan 8.370 nan 0.000 0.515 1034 L N 3.217 124.468 121.223 0.047 0.000 2.043 1034 L HA -0.137 4.203 4.340 0.000 0.000 0.212 1034 L C 2.110 179.039 176.870 0.099 0.000 1.075 1034 L CA 1.487 56.383 54.840 0.094 0.000 0.752 1034 L CB -0.376 41.781 42.059 0.164 0.000 0.891 1034 L HN 0.556 nan 8.230 nan 0.000 0.432 1035 L N -2.109 119.203 121.223 0.148 0.000 2.607 1035 L HA 0.162 4.502 4.340 0.000 0.000 0.228 1035 L C 1.944 178.860 176.870 0.077 0.000 1.123 1035 L CA 0.475 55.426 54.840 0.184 0.000 0.890 1035 L CB -0.285 41.946 42.059 0.288 0.000 1.103 1035 L HN 0.327 nan 8.230 nan 0.000 0.468 1036 G N -1.204 107.571 108.800 -0.041 0.000 2.798 1036 G HA2 0.290 4.250 3.960 0.000 0.000 0.200 1036 G HA3 0.290 4.250 3.960 0.000 0.000 0.200 1036 G C 1.035 175.721 174.900 -0.357 0.000 1.092 1036 G CA 0.646 45.446 45.100 -0.501 0.000 0.800 1036 G HN 0.310 nan 8.290 nan 0.000 0.566 1037 G N -0.707 108.000 108.800 -0.154 0.000 2.270 1037 G HA2 0.374 4.334 3.960 0.000 0.000 0.224 1037 G HA3 0.374 4.334 3.960 0.000 0.000 0.224 1037 G C 0.252 175.105 174.900 -0.077 0.000 1.079 1037 G CA 0.075 45.103 45.100 -0.119 0.000 0.807 1037 G HN 1.306 nan 8.290 nan 0.000 0.492 1038 G N -0.375 108.416 108.800 -0.015 0.000 2.687 1038 G HA2 0.717 4.677 3.960 0.000 0.000 0.301 1038 G HA3 0.717 4.677 3.960 0.000 0.000 0.301 1038 G C -0.270 174.678 174.900 0.081 0.000 1.416 1038 G CA -0.930 44.188 45.100 0.031 0.000 1.005 1038 G HN 0.811 nan 8.290 nan 0.000 0.509 1039 I N 1.235 121.847 120.570 0.070 0.000 2.321 1039 I HA 0.445 4.615 4.170 0.000 0.000 0.291 1039 I C 0.165 176.314 176.117 0.053 0.000 0.998 1039 I CA -0.662 60.693 61.300 0.091 0.000 1.227 1039 I CB 1.730 39.777 38.000 0.078 0.000 1.368 1039 I HN 0.339 nan 8.210 nan 0.000 0.466 1040 S N 5.533 121.274 115.700 0.068 0.000 2.472 1040 S HA 0.744 5.214 4.470 0.000 0.000 0.303 1040 S C -0.410 174.149 174.600 -0.069 0.000 1.099 1040 S CA -0.540 57.675 58.200 0.025 0.000 1.077 1040 S CB 1.547 64.795 63.200 0.081 0.000 1.031 1040 S HN 0.546 nan 8.310 nan 0.000 0.487 1041 V N 2.164 121.968 119.914 -0.183 0.000 3.158 1041 V HA 0.687 4.807 4.120 0.000 0.000 0.311 1041 V C -0.302 175.650 176.094 -0.235 0.000 1.181 1041 V CA -0.881 61.126 62.300 -0.489 0.000 1.054 1041 V CB 1.611 32.888 31.823 -0.910 0.000 1.085 1041 V HN 0.718 nan 8.190 nan 0.000 0.446 1042 D N 0.356 120.633 120.400 -0.205 0.000 2.380 1042 D HA 0.268 4.908 4.640 0.000 0.000 0.254 1042 D C 0.214 176.681 176.300 0.278 0.000 1.288 1042 D CA 0.235 54.397 54.000 0.269 0.000 1.008 1042 D CB 0.921 42.172 40.800 0.752 0.000 1.099 1042 D HN 0.837 nan 8.370 nan 0.000 0.537 1043 K N -0.753 119.827 120.400 0.299 0.000 2.564 1043 K HA 0.145 4.465 4.320 0.000 0.000 0.201 1043 K C 0.610 177.347 176.600 0.228 0.000 1.086 1043 K CA -0.044 56.379 56.287 0.227 0.000 1.062 1043 K CB 0.244 32.834 32.500 0.149 0.000 0.849 1043 K HN 0.151 nan 8.250 nan 0.000 0.529 1044 T N -0.521 114.228 114.554 0.325 0.000 2.904 1044 T HA 0.117 4.467 4.350 0.000 0.000 0.267 1044 T C 0.834 175.672 174.700 0.230 0.000 1.059 1044 T CA 0.948 63.229 62.100 0.301 0.000 1.137 1044 T CB 0.338 69.471 68.868 0.441 0.000 0.879 1044 T HN 0.485 nan 8.240 nan 0.000 0.467 1045 G N -0.077 108.851 108.800 0.213 0.000 2.561 1045 G HA2 0.398 4.358 3.960 0.000 0.000 0.310 1045 G HA3 0.398 4.358 3.960 0.000 0.000 0.310 1045 G C -2.180 172.816 174.900 0.160 0.000 1.292 1045 G CA -0.704 44.458 45.100 0.103 0.000 0.811 1045 G HN -0.033 nan 8.290 nan 0.000 0.482 1046 D N 0.850 121.286 120.400 0.061 0.000 2.456 1046 D HA 0.290 4.930 4.640 0.000 0.000 0.219 1046 D C -0.765 175.569 176.300 0.056 0.000 1.126 1046 D CA 0.034 54.088 54.000 0.091 0.000 0.890 1046 D CB 0.714 41.541 40.800 0.045 0.000 1.025 1046 D HN 0.183 nan 8.370 nan 0.000 0.511 1047 W N 1.934 123.230 121.300 -0.007 0.000 2.251 1047 W HA 0.341 5.001 4.660 0.000 0.000 0.329 1047 W C 0.760 177.251 176.519 -0.048 0.000 1.234 1047 W CA -0.444 56.876 57.345 -0.042 0.000 1.228 1047 W CB 0.786 30.225 29.460 -0.036 0.000 1.135 1047 W HN 0.183 nan 8.180 nan 0.000 0.576 1048 I N 3.815 124.495 120.570 0.182 0.000 2.388 1048 I HA 0.170 4.340 4.170 0.000 0.000 0.281 1048 I C 0.233 176.398 176.117 0.079 0.000 1.046 1048 I CA -0.489 60.862 61.300 0.086 0.000 1.187 1048 I CB 0.373 38.379 38.000 0.010 0.000 1.351 1048 I HN 0.313 nan 8.210 nan 0.000 0.472 1049 T N 4.223 118.821 114.554 0.073 0.000 2.888 1049 T HA 0.792 5.142 4.350 0.000 0.000 0.284 1049 T C -0.847 173.863 174.700 0.017 0.000 1.017 1049 T CA -0.721 61.399 62.100 0.034 0.000 1.022 1049 T CB 2.304 71.183 68.868 0.019 0.000 1.013 1049 T HN 0.268 nan 8.240 nan 0.000 0.465 1050 L N 2.655 123.881 121.223 0.006 0.000 2.526 1050 L HA 0.697 5.037 4.340 0.000 0.000 0.263 1050 L C -1.433 175.431 176.870 -0.011 0.000 0.943 1050 L CA -0.640 54.197 54.840 -0.005 0.000 0.859 1050 L CB 2.187 44.238 42.059 -0.013 0.000 1.313 1050 L HN 0.738 nan 8.230 nan 0.000 0.406 1051 V N 3.884 123.784 119.914 -0.023 0.000 2.628 1051 V HA 0.548 4.668 4.120 0.000 0.000 0.306 1051 V C -0.355 175.701 176.094 -0.065 0.000 1.045 1051 V CA -0.640 61.633 62.300 -0.044 0.000 0.905 1051 V CB 1.932 33.720 31.823 -0.060 0.000 0.997 1051 V HN 0.785 nan 8.190 nan 0.000 0.436 1052 Q N 2.786 122.542 119.800 -0.073 0.000 2.278 1052 Q HA 0.366 4.706 4.340 0.000 0.000 0.257 1052 Q C -0.193 175.737 176.000 -0.117 0.000 0.928 1052 Q CA -0.278 55.480 55.803 -0.074 0.000 0.932 1052 Q CB 0.761 29.466 28.738 -0.055 0.000 1.221 1052 Q HN 0.572 nan 8.270 nan 0.000 0.434 1053 N N 1.616 120.251 118.700 -0.109 0.000 3.050 1053 N HA 0.074 4.814 4.740 0.000 0.000 0.289 1053 N C -0.899 174.561 175.510 -0.084 0.000 1.209 1053 N CA 0.151 53.118 53.050 -0.139 0.000 1.154 1053 N CB 0.464 38.909 38.487 -0.070 0.000 1.444 1053 N HN 0.333 nan 8.380 nan 0.000 0.529 1054 S N 1.304 116.945 115.700 -0.099 0.000 2.652 1054 S HA 0.303 4.774 4.470 0.000 0.000 0.270 1054 S C -1.134 173.435 174.600 -0.052 0.000 1.243 1054 S CA -1.414 56.749 58.200 -0.061 0.000 0.999 1054 S CB 1.381 64.546 63.200 -0.059 0.000 0.973 1054 S HN 0.239 nan 8.310 nan 0.000 0.544 1055 P HA -0.108 nan 4.420 nan 0.000 0.215 1055 P C 1.432 178.716 177.300 -0.027 0.000 1.157 1055 P CA 1.074 64.166 63.100 -0.014 0.000 0.874 1055 P CB 0.044 31.740 31.700 -0.007 0.000 0.790 1056 I N -0.966 119.576 120.570 -0.047 0.000 2.162 1056 I HA -0.200 3.970 4.170 0.000 0.000 0.238 1056 I C 2.479 178.547 176.117 -0.081 0.000 1.076 1056 I CA 1.511 62.770 61.300 -0.069 0.000 1.353 1056 I CB -0.547 37.398 38.000 -0.091 0.000 1.063 1056 I HN -0.066 nan 8.210 nan 0.000 0.408 1057 S N 0.964 116.604 115.700 -0.099 0.000 2.389 1057 S HA -0.362 4.108 4.470 0.000 0.000 0.231 1057 S C 1.774 176.251 174.600 -0.204 0.000 1.052 1057 S CA 2.645 60.760 58.200 -0.143 0.000 1.053 1057 S CB -0.939 62.166 63.200 -0.159 0.000 0.886 1057 S HN 0.617 nan 8.310 nan 0.000 0.456 1058 N N 0.071 118.657 118.700 -0.190 0.000 2.120 1058 N HA -0.104 4.636 4.740 0.000 0.000 0.188 1058 N C 1.863 177.367 175.510 -0.010 0.000 1.024 1058 N CA 1.441 54.385 53.050 -0.176 0.000 0.852 1058 N CB -0.231 38.230 38.487 -0.043 0.000 1.003 1058 N HN 0.443 nan 8.380 nan 0.000 0.424 1059 L N 1.083 122.310 121.223 0.005 0.000 2.027 1059 L HA -0.056 4.284 4.340 0.000 0.000 0.206 1059 L C 1.775 178.693 176.870 0.080 0.000 1.074 1059 L CA 1.337 56.214 54.840 0.061 0.000 0.745 1059 L CB -0.262 41.825 42.059 0.047 0.000 0.898 1059 L HN 0.135 nan 8.230 nan 0.000 0.433 1060 L N -0.531 120.716 121.223 0.039 0.000 2.275 1060 L HA -0.098 4.242 4.340 0.000 0.000 0.215 1060 L C 2.606 179.487 176.870 0.018 0.000 1.119 1060 L CA 0.847 55.727 54.840 0.065 0.000 0.790 1060 L CB -0.537 41.538 42.059 0.027 0.000 0.919 1060 L HN 0.257 nan 8.230 nan 0.000 0.443 1061 R N -1.035 119.461 120.500 -0.005 0.000 2.200 1061 R HA 0.016 4.356 4.340 0.000 0.000 0.208 1061 R C 1.970 178.318 176.300 0.081 0.000 1.033 1061 R CA 0.598 56.697 56.100 -0.001 0.000 1.000 1061 R CB 0.077 30.392 30.300 0.026 0.000 0.906 1061 R HN 0.201 nan 8.270 nan 0.000 0.462 1062 V N 0.567 120.554 119.914 0.122 0.000 2.949 1062 V HA 0.168 4.288 4.120 0.000 0.000 0.245 1062 V C 0.839 176.976 176.094 0.072 0.000 1.086 1062 V CA 0.511 62.877 62.300 0.109 0.000 1.097 1062 V CB 0.417 32.325 31.823 0.141 0.000 0.762 1062 V HN 0.168 nan 8.190 nan 0.000 0.470 1063 A N 0.463 123.340 122.820 0.095 0.000 2.437 1063 A HA 0.624 4.944 4.320 0.000 0.000 0.303 1063 A C 1.426 179.058 177.584 0.080 0.000 1.324 1063 A CA 0.454 52.561 52.037 0.117 0.000 0.983 1063 A CB 0.441 19.551 19.000 0.183 0.000 1.142 1063 A HN 0.439 nan 8.150 nan 0.000 0.541 1064 A N 2.833 125.665 122.820 0.020 0.000 2.067 1064 A HA 0.053 4.373 4.320 0.000 0.000 0.219 1064 A C 0.338 177.727 177.584 -0.326 0.000 1.158 1064 A CA 0.575 52.503 52.037 -0.180 0.000 0.661 1064 A CB -0.126 18.718 19.000 -0.259 0.000 0.801 1064 A HN 0.817 nan 8.150 nan 0.000 0.452 1065 W N -0.107 121.282 121.300 0.148 0.000 2.619 1065 W HA 0.525 5.185 4.660 0.000 0.000 0.327 1065 W C -0.660 175.999 176.519 0.232 0.000 1.027 1065 W CA -0.707 56.771 57.345 0.222 0.000 1.233 1065 W CB 1.457 31.035 29.460 0.197 0.000 1.370 1065 W HN -0.133 nan 8.180 nan 0.000 0.453 1066 K N 3.537 124.147 120.400 0.351 0.000 2.463 1066 K HA 0.461 4.782 4.320 0.000 0.000 0.255 1066 K C -0.912 175.507 176.600 -0.302 0.000 0.942 1066 K CA -1.149 55.095 56.287 -0.071 0.000 0.814 1066 K CB 2.712 35.213 32.500 0.001 0.000 1.122 1066 K HN 0.248 nan 8.250 nan 0.000 0.425 1067 K N 2.031 121.989 120.400 -0.737 0.000 2.471 1067 K HA 0.616 4.936 4.320 0.000 0.000 0.252 1067 K C -0.671 175.564 176.600 -0.608 0.000 0.938 1067 K CA -0.339 55.511 56.287 -0.729 0.000 0.796 1067 K CB 1.642 33.356 32.500 -1.310 0.000 1.161 1067 K HN 0.867 nan 8.250 nan 0.000 0.425 1068 G N 1.631 110.269 108.800 -0.271 0.000 2.334 1068 G HA2 -0.028 3.932 3.960 0.000 0.000 0.315 1068 G HA3 -0.028 3.932 3.960 0.000 0.000 0.315 1068 G C -1.507 173.516 174.900 0.205 0.000 1.284 1068 G CA -0.907 44.164 45.100 -0.048 0.000 0.985 1068 G HN 0.638 nan 8.290 nan 0.000 0.504 1069 C N 0.343 119.810 119.300 0.279 0.000 2.322 1069 C HA 0.814 5.274 4.460 0.000 0.000 0.324 1069 C C 0.540 175.656 174.990 0.210 0.000 1.284 1069 C CA -0.511 58.645 59.018 0.231 0.000 1.606 1069 C CB -0.248 27.564 27.740 0.120 0.000 2.251 1069 C HN 0.667 nan 8.230 nan 0.000 0.502 1070 L N 2.940 124.246 121.223 0.138 0.000 2.342 1070 L HA 0.659 4.999 4.340 0.000 0.000 0.271 1070 L C -0.270 176.585 176.870 -0.027 0.000 1.008 1070 L CA -0.601 54.219 54.840 -0.032 0.000 0.818 1070 L CB 1.598 43.617 42.059 -0.067 0.000 1.296 1070 L HN 0.486 nan 8.230 nan 0.000 0.427 1071 M N 2.227 121.786 119.600 -0.068 0.000 2.294 1071 M HA 0.504 4.984 4.480 0.000 0.000 0.335 1071 M C -0.911 175.438 176.300 0.082 0.000 1.079 1071 M CA -0.362 54.926 55.300 -0.021 0.000 0.982 1071 M CB 1.683 34.200 32.600 -0.139 0.000 1.651 1071 M HN 0.190 nan 8.290 nan 0.000 0.437 1072 V N 4.315 124.162 119.914 -0.111 0.000 2.881 1072 V HA 0.678 4.798 4.120 0.000 0.000 0.316 1072 V C -0.402 175.490 176.094 -0.336 0.000 1.070 1072 V CA -0.867 61.251 62.300 -0.304 0.000 0.976 1072 V CB 2.260 33.600 31.823 -0.805 0.000 1.038 1072 V HN 0.653 nan 8.190 nan 0.000 0.446 1073 K N 2.112 122.307 120.400 -0.343 0.000 2.588 1073 K HA 0.551 4.871 4.320 0.000 0.000 0.250 1073 K C -2.013 174.462 176.600 -0.209 0.000 0.972 1073 K CA -0.318 55.747 56.287 -0.369 0.000 0.821 1073 K CB 2.231 34.311 32.500 -0.699 0.000 1.249 1073 K HN 0.452 nan 8.250 nan 0.000 0.442 1074 V N 3.112 122.980 119.914 -0.076 0.000 2.448 1074 V HA 0.556 4.676 4.120 0.000 0.000 0.295 1074 V C -0.275 175.858 176.094 0.064 0.000 1.025 1074 V CA -0.991 61.356 62.300 0.079 0.000 0.859 1074 V CB 1.771 33.791 31.823 0.329 0.000 0.988 1074 V HN 0.388 nan 8.190 nan 0.000 0.431 1075 V N 5.022 124.907 119.914 -0.047 0.000 2.588 1075 V HA 0.498 4.618 4.120 0.000 0.000 0.304 1075 V C -0.177 175.749 176.094 -0.280 0.000 1.042 1075 V CA -0.543 61.666 62.300 -0.152 0.000 0.877 1075 V CB 2.087 33.821 31.823 -0.147 0.000 0.996 1075 V HN 0.862 nan 8.190 nan 0.000 0.425 1076 M N 3.759 123.020 119.600 -0.564 0.000 2.047 1076 M HA 0.433 4.914 4.480 0.000 0.000 0.342 1076 M C -0.436 175.604 176.300 -0.434 0.000 1.058 1076 M CA 0.078 54.970 55.300 -0.681 0.000 0.991 1076 M CB 1.124 32.896 32.600 -1.380 0.000 1.474 1076 M HN 0.693 nan 8.290 nan 0.000 0.419 1077 S N 3.284 118.771 115.700 -0.354 0.000 2.438 1077 S HA 0.740 5.210 4.470 0.000 0.000 0.293 1077 S C 0.347 174.800 174.600 -0.244 0.000 1.141 1077 S CA -0.702 57.352 58.200 -0.243 0.000 1.080 1077 S CB 1.344 64.420 63.200 -0.206 0.000 0.978 1077 S HN 0.852 nan 8.310 nan 0.000 0.479 1078 G N 1.679 110.407 108.800 -0.120 0.000 3.016 1078 G HA2 0.378 4.338 3.960 0.000 0.000 0.270 1078 G HA3 0.378 4.338 3.960 0.000 0.000 0.270 1078 G C -0.561 174.338 174.900 -0.002 0.000 1.352 1078 G CA -0.812 44.275 45.100 -0.021 0.000 1.060 1078 G HN 0.546 nan 8.290 nan 0.000 0.538 1079 N N 0.342 119.082 118.700 0.066 0.000 2.416 1079 N HA 0.297 5.037 4.740 0.000 0.000 0.265 1079 N C 0.753 176.279 175.510 0.027 0.000 1.195 1079 N CA 0.233 53.297 53.050 0.023 0.000 0.943 1079 N CB 1.224 39.721 38.487 0.016 0.000 1.115 1079 N HN 0.480 nan 8.380 nan 0.000 0.481 1080 A N 3.020 125.771 122.820 -0.116 0.000 2.379 1080 A HA 0.380 4.700 4.320 0.000 0.000 0.236 1080 A C 1.502 178.962 177.584 -0.206 0.000 1.272 1080 A CA 0.361 52.214 52.037 -0.306 0.000 0.886 1080 A CB -0.066 18.765 19.000 -0.281 0.000 0.962 1080 A HN 0.673 nan 8.150 nan 0.000 0.504 1081 A N -0.561 122.203 122.820 -0.094 0.000 2.095 1081 A HA 0.375 4.695 4.320 0.000 0.000 0.212 1081 A C 0.816 178.396 177.584 -0.007 0.000 1.162 1081 A CA 0.259 52.264 52.037 -0.055 0.000 0.753 1081 A CB -0.165 18.812 19.000 -0.037 0.000 0.840 1081 A HN 0.235 nan 8.150 nan 0.000 0.468 1082 V N 2.335 122.273 119.914 0.041 0.000 2.485 1082 V HA 0.008 4.129 4.120 0.000 0.000 0.287 1082 V C 0.394 176.623 176.094 0.226 0.000 1.022 1082 V CA 0.143 62.532 62.300 0.148 0.000 1.067 1082 V CB 0.364 32.340 31.823 0.255 0.000 0.967 1082 V HN 0.352 nan 8.190 nan 0.000 0.479 1083 K N 4.844 125.354 120.400 0.183 0.000 2.379 1083 K HA 0.158 4.478 4.320 0.000 0.000 0.284 1083 K C 1.314 178.064 176.600 0.250 0.000 1.044 1083 K CA -0.311 56.087 56.287 0.185 0.000 0.974 1083 K CB 0.618 33.184 32.500 0.110 0.000 0.962 1083 K HN 0.479 nan 8.250 nan 0.000 0.474 1084 R N 1.626 122.279 120.500 0.254 0.000 2.276 1084 R HA -0.162 4.178 4.340 0.000 0.000 0.243 1084 R C 1.166 177.536 176.300 0.118 0.000 1.161 1084 R CA 1.930 58.118 56.100 0.146 0.000 1.007 1084 R CB 0.041 30.353 30.300 0.020 0.000 0.867 1084 R HN 0.645 nan 8.270 nan 0.000 0.472 1085 S N -1.113 114.659 115.700 0.120 0.000 2.528 1085 S HA 0.031 4.501 4.470 0.000 0.000 0.219 1085 S C 0.487 175.162 174.600 0.125 0.000 0.985 1085 S CA 0.139 58.399 58.200 0.099 0.000 0.914 1085 S CB 0.432 63.675 63.200 0.071 0.000 0.776 1085 S HN 0.166 nan 8.310 nan 0.000 0.526 1086 D N 0.587 121.084 120.400 0.162 0.000 2.463 1086 D HA 0.169 4.809 4.640 0.000 0.000 0.224 1086 D C -0.754 175.669 176.300 0.204 0.000 1.174 1086 D CA -0.320 53.770 54.000 0.151 0.000 0.829 1086 D CB -0.044 40.831 40.800 0.124 0.000 0.993 1086 D HN 0.502 nan 8.370 nan 0.000 0.497 1087 W N 1.405 122.736 121.300 0.052 0.000 2.311 1087 W HA 0.446 5.106 4.660 0.000 0.000 0.310 1087 W C -0.670 175.885 176.519 0.060 0.000 1.274 1087 W CA -0.577 56.803 57.345 0.058 0.000 1.215 1087 W CB 0.903 30.381 29.460 0.030 0.000 1.227 1087 W HN -0.125 nan 8.180 nan 0.000 0.523 1088 A N 4.942 127.582 122.820 -0.299 0.000 3.082 1088 A HA 0.441 4.761 4.320 0.000 0.000 0.328 1088 A C -0.899 176.474 177.584 -0.352 0.000 1.089 1088 A CA -0.237 51.684 52.037 -0.194 0.000 0.802 1088 A CB 0.660 19.609 19.000 -0.086 0.000 1.138 1088 A HN 0.385 nan 8.150 nan 0.000 0.474 1089 S N 1.338 116.784 115.700 -0.423 0.000 2.582 1089 S HA 0.572 5.042 4.470 0.000 0.000 0.287 1089 S C -1.095 173.610 174.600 0.176 0.000 1.146 1089 S CA -0.536 57.532 58.200 -0.220 0.000 0.941 1089 S CB 0.521 63.444 63.200 -0.462 0.000 1.115 1089 S HN 1.715 nan 8.310 nan 0.000 0.458 1090 L N 3.138 124.480 121.223 0.197 0.000 2.286 1090 L HA 1.062 5.402 4.340 0.000 0.000 0.265 1090 L C -0.910 176.135 176.870 0.291 0.000 1.012 1090 L CA -0.915 54.069 54.840 0.241 0.000 0.818 1090 L CB 1.760 43.904 42.059 0.142 0.000 1.337 1090 L HN 0.670 nan 8.230 nan 0.000 0.438 1091 V N 1.060 121.132 119.914 0.264 0.000 2.663 1091 V HA 0.373 4.493 4.120 0.000 0.000 0.286 1091 V C -1.118 175.025 176.094 0.081 0.000 1.085 1091 V CA -0.129 62.358 62.300 0.312 0.000 0.916 1091 V CB 1.594 33.816 31.823 0.665 0.000 1.039 1091 V HN 0.962 nan 8.190 nan 0.000 0.453 1092 Q N 4.389 124.176 119.800 -0.022 0.000 2.323 1092 Q HA 0.555 4.895 4.340 0.000 0.000 0.257 1092 Q C -0.628 175.003 176.000 -0.613 0.000 1.022 1092 Q CA -0.186 55.423 55.803 -0.323 0.000 0.919 1092 Q CB 1.696 30.241 28.738 -0.321 0.000 1.220 1092 Q HN 0.740 nan 8.270 nan 0.000 0.427 1093 V N 3.966 123.497 119.914 -0.638 0.000 2.547 1093 V HA 0.543 4.663 4.120 0.000 0.000 0.299 1093 V C -0.530 175.146 176.094 -0.697 0.000 1.040 1093 V CA -0.651 61.225 62.300 -0.706 0.000 0.913 1093 V CB 0.899 32.398 31.823 -0.540 0.000 0.992 1093 V HN 0.510 nan 8.190 nan 0.000 0.449 1094 F N 3.381 123.232 119.950 -0.165 0.000 2.588 1094 F HA 0.748 5.275 4.527 0.000 0.000 0.314 1094 F C -0.461 175.319 175.800 -0.033 0.000 1.069 1094 F CA -0.972 56.980 58.000 -0.080 0.000 0.931 1094 F CB 1.975 40.922 39.000 -0.088 0.000 1.260 1094 F HN 0.292 nan 8.300 nan 0.000 0.465 1095 L N 2.164 123.515 121.223 0.213 0.000 2.415 1095 L HA 0.723 5.063 4.340 0.000 0.000 0.268 1095 L C -0.899 176.121 176.870 0.250 0.000 0.984 1095 L CA 0.337 55.294 54.840 0.194 0.000 0.853 1095 L CB 1.224 43.325 42.059 0.070 0.000 1.215 1095 L HN 0.712 nan 8.230 nan 0.000 0.419 1096 T N 1.665 116.431 114.554 0.353 0.000 2.887 1096 T HA 0.370 4.720 4.350 0.000 0.000 0.292 1096 T C 0.549 175.537 174.700 0.481 0.000 1.087 1096 T CA -0.638 61.674 62.100 0.354 0.000 1.009 1096 T CB 1.576 70.526 68.868 0.137 0.000 1.203 1096 T HN 0.625 nan 8.240 nan 0.000 0.518 1097 N N -0.310 118.549 118.700 0.265 0.000 2.236 1097 N HA 0.192 4.932 4.740 0.000 0.000 0.196 1097 N C 0.179 175.621 175.510 -0.113 0.000 1.114 1097 N CA -0.316 52.768 53.050 0.058 0.000 0.859 1097 N CB 0.682 39.025 38.487 -0.240 0.000 0.982 1097 N HN 0.286 nan 8.380 nan 0.000 0.493 1098 S N 0.108 115.608 115.700 -0.334 0.000 2.618 1098 S HA 0.301 4.771 4.470 0.000 0.000 0.277 1098 S C -0.970 173.280 174.600 -0.584 0.000 1.138 1098 S CA -0.696 57.142 58.200 -0.604 0.000 0.844 1098 S CB 1.538 64.150 63.200 -0.980 0.000 1.127 1098 S HN 0.151 nan 8.310 nan 0.000 0.474 1099 N N 0.725 119.104 118.700 -0.535 0.000 2.327 1099 N HA 0.258 4.998 4.740 0.000 0.000 0.231 1099 N C -0.704 174.661 175.510 -0.241 0.000 1.130 1099 N CA -0.077 52.749 53.050 -0.372 0.000 0.845 1099 N CB 0.564 38.871 38.487 -0.300 0.000 1.073 1099 N HN 0.218 nan 8.380 nan 0.000 0.496 1100 S N -1.110 114.430 115.700 -0.267 0.000 2.578 1100 S HA 0.107 4.577 4.470 0.000 0.000 0.283 1100 S C 1.335 175.854 174.600 -0.135 0.000 1.195 1100 S CA -0.492 57.606 58.200 -0.171 0.000 1.050 1100 S CB 1.556 64.674 63.200 -0.137 0.000 1.012 1100 S HN 0.203 nan 8.310 nan 0.000 0.511 1101 T N 2.010 116.494 114.554 -0.116 0.000 2.904 1101 T HA -0.044 4.306 4.350 0.000 0.000 0.267 1101 T C 1.199 175.797 174.700 -0.169 0.000 1.059 1101 T CA 1.343 63.365 62.100 -0.129 0.000 1.137 1101 T CB -0.252 68.556 68.868 -0.100 0.000 0.879 1101 T HN 0.749 nan 8.240 nan 0.000 0.467 1102 E N -0.445 119.662 120.200 -0.155 0.000 2.427 1102 E HA -0.007 4.343 4.350 0.000 0.000 0.196 1102 E C 0.344 176.679 176.600 -0.442 0.000 1.028 1102 E CA 0.195 56.435 56.400 -0.266 0.000 0.864 1102 E CB -0.107 29.486 29.700 -0.178 0.000 0.813 1102 E HN 0.593 nan 8.360 nan 0.000 0.514 1103 H N -0.258 118.577 119.070 -0.391 0.000 2.547 1103 H HA 0.267 4.823 4.556 0.000 0.000 0.362 1103 H C -0.550 174.534 175.328 -0.408 0.000 1.181 1103 H CA 0.042 55.877 56.048 -0.355 0.000 1.376 1103 H CB 0.501 30.150 29.762 -0.189 0.000 1.488 1103 H HN -0.103 nan 8.280 nan 0.000 0.583 1104 F N 0.238 120.200 119.950 0.020 0.000 2.483 1104 F HA 0.183 4.710 4.527 0.000 0.000 0.329 1104 F C 0.371 176.188 175.800 0.028 0.000 1.064 1104 F CA -1.036 56.960 58.000 -0.007 0.000 0.986 1104 F CB 1.143 40.122 39.000 -0.034 0.000 1.218 1104 F HN 0.435 nan 8.300 nan 0.000 0.484 1105 D N 0.968 121.521 120.400 0.255 0.000 2.389 1105 D HA 0.256 4.896 4.640 0.000 0.000 0.247 1105 D C 0.539 176.898 176.300 0.097 0.000 1.128 1105 D CA 0.232 54.315 54.000 0.138 0.000 0.884 1105 D CB 1.746 42.599 40.800 0.090 0.000 1.194 1105 D HN 0.613 nan 8.370 nan 0.000 0.441 1106 A N 2.061 124.933 122.820 0.088 0.000 1.850 1106 A HA 0.057 4.377 4.320 0.000 0.000 0.212 1106 A C 0.929 178.420 177.584 -0.155 0.000 1.208 1106 A CA 0.659 52.708 52.037 0.019 0.000 0.609 1106 A CB 0.142 19.184 19.000 0.069 0.000 0.860 1106 A HN 0.578 nan 8.150 nan 0.000 0.448 1107 C N -1.568 117.570 119.300 -0.269 0.000 2.889 1107 C HA 0.789 5.250 4.460 0.000 0.000 0.307 1107 C C -0.584 174.047 174.990 -0.598 0.000 1.251 1107 C CA -0.754 57.893 59.018 -0.618 0.000 1.593 1107 C CB 1.487 28.581 27.740 -1.078 0.000 2.104 1107 C HN 0.551 nan 8.230 nan 0.000 0.476 1108 R N 2.622 122.644 120.500 -0.797 0.000 2.569 1108 R HA 0.367 4.707 4.340 0.000 0.000 0.293 1108 R C -1.557 174.392 176.300 -0.584 0.000 1.186 1108 R CA -0.307 55.511 56.100 -0.470 0.000 0.956 1108 R CB 0.967 31.160 30.300 -0.179 0.000 1.196 1108 R HN 0.777 nan 8.270 nan 0.000 0.444 1109 W N 2.002 123.082 121.300 -0.367 0.000 2.639 1109 W HA 0.449 5.109 4.660 0.000 0.000 0.347 1109 W C -0.438 175.839 176.519 -0.404 0.000 1.067 1109 W CA -0.906 56.229 57.345 -0.350 0.000 1.218 1109 W CB 2.526 31.772 29.460 -0.358 0.000 1.393 1109 W HN 0.298 nan 8.180 nan 0.000 0.557 1110 T N 2.752 117.253 114.554 -0.088 0.000 2.965 1110 T HA 0.258 4.608 4.350 0.000 0.000 0.306 1110 T C -0.392 174.190 174.700 -0.197 0.000 0.991 1110 T CA -0.795 61.207 62.100 -0.164 0.000 1.001 1110 T CB 1.540 70.337 68.868 -0.119 0.000 0.984 1110 T HN 0.067 nan 8.240 nan 0.000 0.446 1111 K N 2.038 122.233 120.400 -0.341 0.000 2.345 1111 K HA 0.581 4.901 4.320 0.000 0.000 0.255 1111 K C -0.334 176.120 176.600 -0.243 0.000 0.934 1111 K CA -0.834 55.156 56.287 -0.494 0.000 0.801 1111 K CB 1.937 33.675 32.500 -1.270 0.000 1.137 1111 K HN 0.617 nan 8.250 nan 0.000 0.424 1112 S N 1.189 116.855 115.700 -0.058 0.000 2.617 1112 S HA 0.190 4.661 4.470 0.000 0.000 0.237 1112 S C -0.414 174.304 174.600 0.196 0.000 1.142 1112 S CA -0.791 57.523 58.200 0.190 0.000 1.167 1112 S CB 0.208 63.509 63.200 0.169 0.000 1.068 1112 S HN 0.518 nan 8.310 nan 0.000 0.470 1113 E N 3.372 123.685 120.200 0.188 0.000 2.200 1113 E HA 0.361 4.711 4.350 0.000 0.000 0.283 1113 E C -2.602 173.858 176.600 -0.234 0.000 1.015 1113 E CA -2.445 53.975 56.400 0.033 0.000 0.819 1113 E CB 0.934 30.700 29.700 0.111 0.000 1.081 1113 E HN 0.204 nan 8.360 nan 0.000 0.397 1114 P HA -0.068 nan 4.420 nan 0.000 0.265 1114 P C -0.574 175.976 177.300 -1.249 0.000 1.193 1114 P CA 0.643 62.617 63.100 -1.877 0.000 0.765 1114 P CB 0.360 31.200 31.700 -1.434 0.000 0.823 1115 H N -0.656 117.556 119.070 -1.429 0.000 5.197 1115 H HA -0.241 4.315 4.556 0.000 0.000 0.082 1115 H C 0.373 175.555 175.328 -0.243 0.000 0.552 1115 H CA 1.691 57.424 56.048 -0.525 0.000 1.126 1115 H CB -1.478 28.101 29.762 -0.305 0.000 0.581 1115 H HN 0.674 nan 8.280 nan 0.000 0.658 1116 S N -0.206 115.424 115.700 -0.116 0.000 2.535 1116 S HA 0.512 4.982 4.470 0.000 0.000 0.272 1116 S C -1.548 173.086 174.600 0.057 0.000 1.149 1116 S CA -0.364 57.785 58.200 -0.085 0.000 0.888 1116 S CB 2.102 65.262 63.200 -0.068 0.000 1.110 1116 S HN 0.625 nan 8.310 nan 0.000 0.463 1117 W N 1.340 122.654 121.300 0.024 0.000 3.118 1117 W HA 0.775 5.435 4.660 0.000 0.000 0.328 1117 W C -1.384 175.151 176.519 0.026 0.000 1.239 1117 W CA -0.662 56.697 57.345 0.024 0.000 1.176 1117 W CB 1.037 30.530 29.460 0.055 0.000 1.433 1117 W HN 0.895 nan 8.180 nan 0.000 0.562 1118 E N 1.239 121.704 120.200 0.443 0.000 2.312 1118 E HA 0.647 4.997 4.350 0.000 0.000 0.267 1118 E C -2.090 174.666 176.600 0.261 0.000 0.894 1118 E CA -1.010 55.551 56.400 0.269 0.000 0.773 1118 E CB 2.741 32.499 29.700 0.096 0.000 1.241 1118 E HN 0.436 nan 8.360 nan 0.000 0.432 1119 L N 5.138 126.457 121.223 0.159 0.000 2.680 1119 L HA 0.401 4.741 4.340 0.000 0.000 0.260 1119 L C -2.004 174.862 176.870 -0.006 0.000 0.975 1119 L CA -0.232 54.633 54.840 0.041 0.000 0.920 1119 L CB 1.187 43.236 42.059 -0.016 0.000 1.234 1119 L HN 0.472 nan 8.230 nan 0.000 0.429 1120 I N 5.748 126.337 120.570 0.031 0.000 2.339 1120 I HA 0.546 4.717 4.170 0.000 0.000 0.290 1120 I C -0.725 175.496 176.117 0.173 0.000 0.994 1120 I CA -0.483 60.840 61.300 0.038 0.000 1.191 1120 I CB 1.078 39.138 38.000 0.100 0.000 1.343 1120 I HN 0.637 nan 8.210 nan 0.000 0.458 1121 F N 6.115 126.083 119.950 0.030 0.000 2.641 1121 F HA 0.739 5.266 4.527 0.000 0.000 0.308 1121 F C -3.244 172.599 175.800 0.073 0.000 1.105 1121 F CA -2.687 55.354 58.000 0.069 0.000 0.964 1121 F CB 1.246 40.304 39.000 0.097 0.000 1.294 1121 F HN 0.080 nan 8.300 nan 0.000 0.442 1122 P HA 0.456 nan 4.420 nan 0.000 0.280 1122 P C -0.721 176.710 177.300 0.217 0.000 1.244 1122 P CA -0.135 63.073 63.100 0.179 0.000 0.784 1122 P CB 1.444 33.227 31.700 0.139 0.000 0.913 1123 I N -1.338 119.289 120.570 0.094 0.000 2.569 1123 I HA 0.650 4.820 4.170 0.000 0.000 0.296 1123 I C -0.762 175.397 176.117 0.069 0.000 1.028 1123 I CA -0.956 60.331 61.300 -0.021 0.000 1.082 1123 I CB 2.879 40.830 38.000 -0.083 0.000 1.264 1123 I HN 0.203 nan 8.210 nan 0.000 0.429 1124 E N 4.986 125.245 120.200 0.099 0.000 2.246 1124 E HA 0.489 4.839 4.350 0.000 0.000 0.266 1124 E C -1.727 175.130 176.600 0.428 0.000 0.880 1124 E CA -0.835 55.702 56.400 0.228 0.000 0.762 1124 E CB 2.648 32.444 29.700 0.161 0.000 1.180 1124 E HN 0.646 nan 8.360 nan 0.000 0.416 1125 V N 4.373 124.502 119.914 0.359 0.000 2.334 1125 V HA 0.268 4.388 4.120 0.000 0.000 0.267 1125 V C -0.277 175.903 176.094 0.143 0.000 1.040 1125 V CA -0.619 61.871 62.300 0.316 0.000 0.866 1125 V CB 0.507 32.467 31.823 0.229 0.000 1.019 1125 V HN 0.721 nan 8.190 nan 0.000 0.468 1126 C N 4.289 123.689 119.300 0.166 0.000 2.345 1126 C HA 0.942 5.402 4.460 0.000 0.000 0.323 1126 C C 0.835 175.882 174.990 0.095 0.000 1.276 1126 C CA -0.517 58.563 59.018 0.102 0.000 1.543 1126 C CB 0.613 28.428 27.740 0.125 0.000 2.211 1126 C HN 1.058 nan 8.230 nan 0.000 0.493 1127 G N 2.839 111.701 108.800 0.104 0.000 2.672 1127 G HA2 0.645 4.605 3.960 0.000 0.000 0.292 1127 G HA3 0.645 4.605 3.960 0.000 0.000 0.292 1127 G C -2.453 172.549 174.900 0.170 0.000 1.375 1127 G CA -0.818 44.376 45.100 0.156 0.000 0.890 1127 G HN 0.315 nan 8.290 nan 0.000 0.476 1128 P HA -0.073 nan 4.420 nan 0.000 0.226 1128 P C 1.162 178.569 177.300 0.178 0.000 1.153 1128 P CA 0.705 63.906 63.100 0.167 0.000 0.777 1128 P CB 0.327 32.130 31.700 0.172 0.000 0.794 1129 N N -0.235 118.568 118.700 0.171 0.000 2.048 1129 N HA -0.140 4.600 4.740 0.000 0.000 0.193 1129 N C 1.288 176.791 175.510 -0.013 0.000 1.061 1129 N CA 1.274 54.301 53.050 -0.039 0.000 0.849 1129 N CB -0.121 38.093 38.487 -0.456 0.000 1.044 1129 N HN 0.023 nan 8.380 nan 0.000 0.429 1130 N N -1.791 116.956 118.700 0.077 0.000 2.118 1130 N HA 0.192 4.932 4.740 0.000 0.000 0.226 1130 N C -0.301 175.342 175.510 0.221 0.000 1.305 1130 N CA 0.366 53.484 53.050 0.113 0.000 0.890 1130 N CB 1.340 39.837 38.487 0.017 0.000 1.118 1130 N HN 0.352 nan 8.380 nan 0.000 0.511 1131 G N -0.446 108.514 108.800 0.266 0.000 2.407 1131 G HA2 -0.061 3.899 3.960 0.000 0.000 0.210 1131 G HA3 -0.061 3.899 3.960 0.000 0.000 0.210 1131 G C -0.602 174.355 174.900 0.094 0.000 1.015 1131 G CA -0.697 44.493 45.100 0.150 0.000 0.807 1131 G HN 0.114 nan 8.290 nan 0.000 0.539 1132 F N 1.036 121.016 119.950 0.048 0.000 2.422 1132 F HA 0.706 5.233 4.527 0.000 0.000 0.333 1132 F C 0.535 176.517 175.800 0.304 0.000 1.095 1132 F CA -0.602 57.476 58.000 0.129 0.000 1.038 1132 F CB 1.792 40.818 39.000 0.045 0.000 1.156 1132 F HN 0.086 nan 8.300 nan 0.000 0.483 1133 E N 3.391 123.874 120.200 0.472 0.000 2.288 1133 E HA 0.522 4.872 4.350 0.000 0.000 0.268 1133 E C -1.495 175.275 176.600 0.283 0.000 0.885 1133 E CA -0.944 55.685 56.400 0.383 0.000 0.767 1133 E CB 2.032 31.829 29.700 0.162 0.000 1.220 1133 E HN 0.659 nan 8.360 nan 0.000 0.427 1134 M N 3.847 123.488 119.600 0.068 0.000 2.383 1134 M HA 0.317 4.798 4.480 0.000 0.000 0.325 1134 M C -1.388 174.900 176.300 -0.021 0.000 1.092 1134 M CA -0.839 54.323 55.300 -0.230 0.000 0.961 1134 M CB 1.089 33.244 32.600 -0.742 0.000 1.672 1134 M HN 0.717 nan 8.290 nan 0.000 0.438 1135 W N 4.674 125.884 121.300 -0.150 0.000 2.385 1135 W HA -0.001 4.660 4.660 0.000 0.000 0.336 1135 W C 0.504 176.981 176.519 -0.071 0.000 1.351 1135 W CA 1.252 58.545 57.345 -0.086 0.000 1.295 1135 W CB 0.270 29.691 29.460 -0.065 0.000 1.239 1135 W HN 0.825 nan 8.180 nan 0.000 0.565 1136 S N 3.354 118.633 115.700 -0.702 0.000 3.229 1136 S HA -0.272 4.198 4.470 0.000 0.000 0.327 1136 S C 0.423 174.810 174.600 -0.356 0.000 0.828 1136 S CA 0.965 58.743 58.200 -0.704 0.000 1.288 1136 S CB -1.275 61.157 63.200 -1.279 0.000 0.835 1136 S HN 0.578 nan 8.310 nan 0.000 0.443 1137 S N -0.443 115.166 115.700 -0.151 0.000 2.584 1137 S HA 0.232 4.702 4.470 0.000 0.000 0.273 1137 S C 1.124 175.737 174.600 0.021 0.000 1.311 1137 S CA -0.676 57.510 58.200 -0.024 0.000 1.034 1137 S CB 1.111 64.329 63.200 0.030 0.000 0.939 1137 S HN 0.572 nan 8.310 nan 0.000 0.513 1138 E N 3.270 123.508 120.200 0.063 0.000 2.418 1138 E HA -0.084 4.266 4.350 0.000 0.000 0.197 1138 E C 1.323 178.019 176.600 0.159 0.000 1.026 1138 E CA 0.427 56.871 56.400 0.074 0.000 0.862 1138 E CB 0.004 29.751 29.700 0.079 0.000 0.799 1138 E HN 0.880 nan 8.360 nan 0.000 0.518 1139 W N 0.592 121.904 121.300 0.020 0.000 2.315 1139 W HA -0.209 4.451 4.660 0.000 0.000 0.323 1139 W C 0.763 177.310 176.519 0.047 0.000 1.233 1139 W CA 1.592 58.972 57.345 0.057 0.000 1.267 1139 W CB 0.024 29.558 29.460 0.123 0.000 1.160 1139 W HN 0.057 nan 8.180 nan 0.000 0.474 1140 A N 0.703 123.461 122.820 -0.102 0.000 3.113 1140 A HA 0.240 4.560 4.320 0.000 0.000 0.307 1140 A C -0.086 177.438 177.584 -0.101 0.000 1.025 1140 A CA -0.363 51.524 52.037 -0.250 0.000 1.012 1140 A CB -1.127 17.755 19.000 -0.196 0.000 1.085 1140 A HN 0.433 nan 8.150 nan 0.000 0.519 1141 N N 0.838 119.491 118.700 -0.078 0.000 2.696 1141 N HA -0.210 4.530 4.740 0.000 0.000 0.271 1141 N C 0.161 175.640 175.510 -0.051 0.000 0.997 1141 N CA 0.521 53.538 53.050 -0.055 0.000 0.801 1141 N CB -0.442 38.010 38.487 -0.060 0.000 0.913 1141 N HN 0.815 nan 8.380 nan 0.000 0.557 1142 Q N -0.179 119.599 119.800 -0.035 0.000 2.471 1142 Q HA 0.310 4.650 4.340 0.000 0.000 0.223 1142 Q C 0.574 176.490 176.000 -0.139 0.000 1.045 1142 Q CA 0.421 56.195 55.803 -0.048 0.000 0.956 1142 Q CB 1.165 29.913 28.738 0.017 0.000 1.249 1142 Q HN 0.295 nan 8.270 nan 0.000 0.549 1143 T N -1.111 113.338 114.554 -0.174 0.000 2.591 1143 T HA 0.573 4.923 4.350 0.000 0.000 0.274 1143 T C -0.769 173.753 174.700 -0.297 0.000 0.945 1143 T CA -0.386 61.561 62.100 -0.255 0.000 1.087 1143 T CB 1.699 70.430 68.868 -0.229 0.000 1.416 1143 T HN 0.503 nan 8.240 nan 0.000 0.514 1144 S N -1.780 113.736 115.700 -0.308 0.000 3.642 1144 S HA 0.712 5.182 4.470 0.000 0.000 0.312 1144 S C -2.051 172.266 174.600 -0.471 0.000 1.117 1144 S CA -0.664 57.392 58.200 -0.241 0.000 1.104 1144 S CB 0.771 63.955 63.200 -0.027 0.000 1.397 1144 S HN 0.627 nan 8.310 nan 0.000 0.756 1145 W N 0.905 122.275 121.300 0.117 0.000 3.211 1145 W HA 0.497 5.157 4.660 0.000 0.000 0.335 1145 W C -1.355 175.165 176.519 0.000 0.000 1.113 1145 W CA -0.492 56.938 57.345 0.141 0.000 1.235 1145 W CB 1.283 30.837 29.460 0.157 0.000 1.365 1145 W HN 0.592 nan 8.180 nan 0.000 0.476 1146 H N 2.567 121.920 119.070 0.473 0.000 2.600 1146 H HA 0.541 5.097 4.556 0.000 0.000 0.357 1146 H C -1.135 174.336 175.328 0.239 0.000 1.106 1146 H CA -0.822 55.400 56.048 0.289 0.000 1.193 1146 H CB 2.161 32.038 29.762 0.192 0.000 1.594 1146 H HN 0.251 nan 8.280 nan 0.000 0.526 1147 L N 2.837 124.230 121.223 0.284 0.000 2.324 1147 L HA 0.475 4.815 4.340 0.000 0.000 0.274 1147 L C -0.825 176.032 176.870 -0.021 0.000 1.012 1147 L CA -0.140 54.769 54.840 0.115 0.000 0.859 1147 L CB 0.575 42.723 42.059 0.148 0.000 1.224 1147 L HN 0.564 nan 8.230 nan 0.000 0.429 1148 S N 3.902 119.550 115.700 -0.086 0.000 2.651 1148 S HA 0.777 5.247 4.470 0.000 0.000 0.291 1148 S C -0.728 173.629 174.600 -0.406 0.000 1.141 1148 S CA -0.355 57.792 58.200 -0.089 0.000 1.027 1148 S CB 1.219 64.478 63.200 0.098 0.000 1.043 1148 S HN 0.351 nan 8.310 nan 0.000 0.530 1149 F N 0.388 120.171 119.950 -0.279 0.000 2.603 1149 F HA 0.701 5.228 4.527 0.000 0.000 0.317 1149 F C -0.621 175.213 175.800 0.056 0.000 1.066 1149 F CA -0.976 56.870 58.000 -0.258 0.000 0.941 1149 F CB 1.549 40.137 39.000 -0.687 0.000 1.291 1149 F HN 0.351 nan 8.300 nan 0.000 0.472 1150 L N 2.336 123.746 121.223 0.311 0.000 2.491 1150 L HA 0.697 5.037 4.340 0.000 0.000 0.267 1150 L C -1.641 175.441 176.870 0.353 0.000 0.971 1150 L CA -0.409 54.633 54.840 0.337 0.000 0.857 1150 L CB 1.616 43.818 42.059 0.238 0.000 1.226 1150 L HN 0.388 nan 8.230 nan 0.000 0.408 1151 V N 2.695 122.878 119.914 0.449 0.000 2.398 1151 V HA 0.503 4.623 4.120 0.000 0.000 0.286 1151 V C -0.543 175.756 176.094 0.341 0.000 1.026 1151 V CA -0.645 61.908 62.300 0.423 0.000 0.868 1151 V CB 1.515 33.624 31.823 0.476 0.000 0.982 1151 V HN 0.579 nan 8.190 nan 0.000 0.443 1152 D N 4.327 124.890 120.400 0.271 0.000 2.344 1152 D HA 0.260 4.900 4.640 0.000 0.000 0.239 1152 D C 0.157 176.518 176.300 0.102 0.000 1.064 1152 D CA -0.119 54.016 54.000 0.225 0.000 0.829 1152 D CB 1.024 41.943 40.800 0.197 0.000 1.129 1152 D HN 0.639 nan 8.370 nan 0.000 0.506 1153 N N 3.790 122.543 118.700 0.089 0.000 2.663 1153 N HA -0.126 4.614 4.740 0.000 0.000 0.263 1153 N C -2.028 173.423 175.510 -0.098 0.000 1.109 1153 N CA -0.193 52.851 53.050 -0.010 0.000 0.701 1153 N CB -0.204 38.216 38.487 -0.111 0.000 0.879 1153 N HN 0.293 nan 8.380 nan 0.000 0.550 1154 P HA -0.074 nan 4.420 nan 0.000 0.234 1154 P C 1.029 178.159 177.300 -0.284 0.000 1.167 1154 P CA 0.944 63.881 63.100 -0.271 0.000 0.763 1154 P CB 0.212 31.536 31.700 -0.628 0.000 0.835 1155 K N -0.861 119.422 120.400 -0.195 0.000 2.418 1155 K HA -0.012 4.308 4.320 0.000 0.000 0.195 1155 K C 2.039 178.546 176.600 -0.155 0.000 1.035 1155 K CA 0.674 56.873 56.287 -0.147 0.000 1.003 1155 K CB 0.168 32.637 32.500 -0.053 0.000 0.793 1155 K HN 0.154 nan 8.250 nan 0.000 0.494 1156 Q N -0.744 118.929 119.800 -0.212 0.000 2.389 1156 Q HA 0.143 4.483 4.340 0.000 0.000 0.198 1156 Q C 0.234 176.133 176.000 -0.167 0.000 0.967 1156 Q CA 0.352 55.982 55.803 -0.289 0.000 0.863 1156 Q CB 0.705 29.035 28.738 -0.680 0.000 0.987 1156 Q HN -0.064 nan 8.270 nan 0.000 0.557 1157 S N 1.294 116.890 115.700 -0.174 0.000 4.183 1157 S HA 0.007 4.477 4.470 0.000 0.000 0.195 1157 S C 0.971 175.405 174.600 -0.276 0.000 1.421 1157 S CA 0.060 58.249 58.200 -0.018 0.000 0.920 1157 S CB -0.041 63.294 63.200 0.224 0.000 1.525 1157 S HN 0.499 nan 8.310 nan 0.000 0.447 1158 T N -0.202 114.160 114.554 -0.320 0.000 2.668 1158 T HA -0.049 4.301 4.350 0.000 0.000 0.262 1158 T C 0.905 175.247 174.700 -0.597 0.000 1.045 1158 T CA 0.932 62.795 62.100 -0.395 0.000 1.152 1158 T CB -0.382 68.324 68.868 -0.270 0.000 0.864 1158 T HN 0.387 nan 8.240 nan 0.000 0.419 1159 T N 1.784 115.939 114.554 -0.664 0.000 2.888 1159 T HA 0.650 5.000 4.350 0.000 0.000 0.284 1159 T C -1.370 172.750 174.700 -0.967 0.000 1.017 1159 T CA -0.531 61.180 62.100 -0.649 0.000 1.022 1159 T CB 1.223 69.871 68.868 -0.367 0.000 1.013 1159 T HN 0.211 nan 8.240 nan 0.000 0.465 1160 F N 1.199 121.014 119.950 -0.226 0.000 2.557 1160 F HA 0.403 4.930 4.527 0.000 0.000 0.316 1160 F C -0.094 175.598 175.800 -0.180 0.000 1.141 1160 F CA -1.194 56.662 58.000 -0.240 0.000 0.922 1160 F CB 1.816 40.681 39.000 -0.224 0.000 1.194 1160 F HN 0.402 nan 8.300 nan 0.000 0.443 1161 D N 2.759 123.175 120.400 0.027 0.000 2.408 1161 D HA 0.495 5.135 4.640 0.000 0.000 0.243 1161 D C -1.156 175.133 176.300 -0.018 0.000 1.075 1161 D CA -0.078 53.907 54.000 -0.026 0.000 0.832 1161 D CB 2.762 43.512 40.800 -0.084 0.000 1.162 1161 D HN 0.190 nan 8.370 nan 0.000 0.515 1162 V N 4.630 124.543 119.914 -0.003 0.000 2.357 1162 V HA 0.432 4.552 4.120 0.000 0.000 0.284 1162 V C -0.000 176.067 176.094 -0.045 0.000 1.018 1162 V CA -0.579 61.718 62.300 -0.004 0.000 0.841 1162 V CB 1.368 33.229 31.823 0.064 0.000 0.991 1162 V HN 0.326 nan 8.190 nan 0.000 0.437 1163 L N 6.445 127.607 121.223 -0.102 0.000 2.342 1163 L HA 0.835 5.175 4.340 0.000 0.000 0.271 1163 L C -0.644 176.206 176.870 -0.035 0.000 1.008 1163 L CA -0.545 54.237 54.840 -0.095 0.000 0.818 1163 L CB 1.786 43.709 42.059 -0.227 0.000 1.296 1163 L HN 0.468 nan 8.230 nan 0.000 0.427 1164 L N -0.098 121.187 121.223 0.104 0.000 2.359 1164 L HA 1.079 5.419 4.340 0.000 0.000 0.256 1164 L C -0.099 176.934 176.870 0.271 0.000 1.026 1164 L CA -0.554 54.402 54.840 0.193 0.000 0.828 1164 L CB 1.872 43.945 42.059 0.023 0.000 1.406 1164 L HN 0.590 nan 8.230 nan 0.000 0.413 1165 G N -0.207 108.669 108.800 0.127 0.000 2.672 1165 G HA2 0.748 4.708 3.960 0.000 0.000 0.292 1165 G HA3 0.748 4.708 3.960 0.000 0.000 0.292 1165 G C -1.967 172.800 174.900 -0.222 0.000 1.375 1165 G CA -0.696 44.325 45.100 -0.132 0.000 0.890 1165 G HN 0.723 nan 8.290 nan 0.000 0.476 1166 I N 0.004 120.425 120.570 -0.248 0.000 2.607 1166 I HA 0.685 4.855 4.170 0.000 0.000 0.305 1166 I C 0.218 176.235 176.117 -0.167 0.000 0.995 1166 I CA -0.713 60.441 61.300 -0.242 0.000 1.148 1166 I CB 2.143 39.998 38.000 -0.240 0.000 1.323 1166 I HN 0.473 nan 8.210 nan 0.000 0.461 1167 S N 3.358 119.009 115.700 -0.083 0.000 2.541 1167 S HA 0.212 4.682 4.470 0.000 0.000 0.283 1167 S C 0.579 175.200 174.600 0.034 0.000 1.196 1167 S CA -0.364 57.829 58.200 -0.012 0.000 1.062 1167 S CB 1.719 64.956 63.200 0.062 0.000 1.009 1167 S HN 0.768 nan 8.310 nan 0.000 0.502 1168 Q N 2.171 121.977 119.800 0.009 0.000 2.376 1168 Q HA -0.103 4.237 4.340 0.000 0.000 0.211 1168 Q C 1.095 177.128 176.000 0.055 0.000 0.986 1168 Q CA 1.595 57.410 55.803 0.020 0.000 0.886 1168 Q CB -0.061 28.678 28.738 0.003 0.000 0.927 1168 Q HN 0.776 nan 8.270 nan 0.000 0.457 1169 N N -1.147 117.598 118.700 0.075 0.000 2.401 1169 N HA -0.001 4.739 4.740 0.000 0.000 0.264 1169 N C -1.089 174.480 175.510 0.098 0.000 1.238 1169 N CA -0.248 52.843 53.050 0.069 0.000 0.889 1169 N CB 0.091 38.602 38.487 0.040 0.000 1.196 1169 N HN 0.008 nan 8.380 nan 0.000 0.511 1170 F N 2.328 122.270 119.950 -0.013 0.000 2.411 1170 F HA 0.307 4.834 4.527 0.000 0.000 0.355 1170 F C 0.125 175.927 175.800 0.004 0.000 1.117 1170 F CA -0.658 57.336 58.000 -0.011 0.000 1.139 1170 F CB 0.975 39.978 39.000 0.004 0.000 1.120 1170 F HN 0.184 nan 8.300 nan 0.000 0.493 1171 E N 8.071 128.078 120.200 -0.320 0.000 2.246 1171 E HA 0.521 4.871 4.350 0.000 0.000 0.266 1171 E C -1.433 175.067 176.600 -0.167 0.000 0.880 1171 E CA -0.788 55.535 56.400 -0.130 0.000 0.762 1171 E CB 1.593 31.247 29.700 -0.077 0.000 1.180 1171 E HN 0.705 nan 8.360 nan 0.000 0.416 1172 I N 0.309 120.945 120.570 0.109 0.000 3.170 1172 I HA 0.987 5.157 4.170 0.000 0.000 0.312 1172 I C -1.286 175.026 176.117 0.324 0.000 1.085 1172 I CA -1.116 60.328 61.300 0.241 0.000 0.999 1172 I CB 2.237 40.365 38.000 0.213 0.000 1.233 1172 I HN 0.647 nan 8.210 nan 0.000 0.467 1173 A N 2.159 125.178 122.820 0.332 0.000 2.549 1173 A HA 0.697 5.017 4.320 0.000 0.000 0.306 1173 A C -0.377 177.390 177.584 0.306 0.000 1.053 1173 A CA 0.177 52.350 52.037 0.227 0.000 0.892 1173 A CB 0.249 19.294 19.000 0.075 0.000 1.329 1173 A HN 2.347 nan 8.150 nan 0.000 0.388 1174 G N 0.795 109.723 108.800 0.214 0.000 2.515 1174 G HA2 0.372 4.332 3.960 0.000 0.000 0.686 1174 G HA3 0.372 4.332 3.960 0.000 0.000 0.686 1174 G C -1.059 173.918 174.900 0.127 0.000 1.274 1174 G CA -0.282 44.945 45.100 0.210 0.000 0.874 1174 G HN 1.706 nan 8.290 nan 0.000 0.631 1175 N N -0.406 118.344 118.700 0.083 0.000 2.442 1175 N HA 0.608 5.348 4.740 0.000 0.000 0.274 1175 N C -0.115 175.404 175.510 0.016 0.000 1.002 1175 N CA -0.306 52.774 53.050 0.050 0.000 0.910 1175 N CB 1.392 39.903 38.487 0.039 0.000 1.244 1175 N HN 0.561 nan 8.380 nan 0.000 0.492 1176 T N 4.113 118.667 114.554 0.001 0.000 2.743 1176 T HA 0.126 4.476 4.350 0.000 0.000 0.290 1176 T C 0.412 175.099 174.700 -0.020 0.000 0.908 1176 T CA -0.254 61.831 62.100 -0.026 0.000 1.092 1176 T CB -0.039 68.803 68.868 -0.044 0.000 0.882 1176 T HN 0.371 nan 8.240 nan 0.000 0.531 1177 L N 5.881 127.088 121.223 -0.027 0.000 2.515 1177 L HA 0.206 4.546 4.340 0.000 0.000 0.281 1177 L C -0.038 176.795 176.870 -0.062 0.000 1.131 1177 L CA 0.187 55.003 54.840 -0.041 0.000 0.905 1177 L CB -0.044 41.997 42.059 -0.030 0.000 1.246 1177 L HN 0.476 nan 8.230 nan 0.000 0.463 1178 M N 5.169 124.709 119.600 -0.100 0.000 2.528 1178 M HA 0.506 4.986 4.480 0.000 0.000 0.321 1178 M C -1.865 174.291 176.300 -0.240 0.000 1.153 1178 M CA -1.786 53.430 55.300 -0.141 0.000 0.951 1178 M CB 1.046 33.571 32.600 -0.126 0.000 1.705 1178 M HN 0.304 nan 8.290 nan 0.000 0.451 1179 P HA 0.292 nan 4.420 nan 0.000 0.272 1179 P C -0.806 176.267 177.300 -0.378 0.000 1.254 1179 P CA -0.508 62.470 63.100 -0.204 0.000 0.795 1179 P CB 0.111 31.749 31.700 -0.103 0.000 1.022 1180 A N 0.574 123.234 122.820 -0.266 0.000 2.520 1180 A HA 0.238 4.558 4.320 0.000 0.000 0.245 1180 A C 0.001 177.497 177.584 -0.147 0.000 1.072 1180 A CA -0.210 51.666 52.037 -0.268 0.000 0.761 1180 A CB -1.000 17.930 19.000 -0.117 0.000 1.004 1180 A HN 0.415 nan 8.150 nan 0.000 0.499 1181 F N 2.004 121.944 119.950 -0.017 0.000 2.443 1181 F HA 0.243 4.770 4.527 0.000 0.000 0.353 1181 F C 1.309 177.102 175.800 -0.012 0.000 1.101 1181 F CA -0.111 57.879 58.000 -0.017 0.000 1.226 1181 F CB 1.172 40.161 39.000 -0.018 0.000 1.140 1181 F HN 0.530 nan 8.300 nan 0.000 0.557 1182 S N 2.596 118.407 115.700 0.185 0.000 2.523 1182 S HA 0.445 4.915 4.470 0.000 0.000 0.275 1182 S C -0.586 174.059 174.600 0.076 0.000 1.281 1182 S CA -0.618 57.639 58.200 0.095 0.000 1.050 1182 S CB 0.592 63.832 63.200 0.067 0.000 0.937 1182 S HN 0.362 nan 8.310 nan 0.000 0.492 1183 V N 8.005 127.953 119.914 0.056 0.000 2.378 1183 V HA 0.393 4.513 4.120 0.000 0.000 0.288 1183 V C -1.733 174.375 176.094 0.024 0.000 1.016 1183 V CA -1.532 60.791 62.300 0.039 0.000 0.840 1183 V CB 1.150 32.996 31.823 0.039 0.000 0.994 1183 V HN 0.806 nan 8.190 nan 0.000 0.431 1184 P HA 0.220 nan 4.420 nan 0.000 0.271 1184 P C -0.043 177.261 177.300 0.007 0.000 1.238 1184 P CA -0.221 62.885 63.100 0.009 0.000 0.794 1184 P CB 0.259 31.961 31.700 0.003 0.000 0.959 1185 Q N 0.000 119.802 119.800 0.004 0.000 2.315 1185 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 1185 Q CA 0.000 55.804 55.803 0.002 0.000 1.022 1185 Q CB 0.000 28.738 28.738 -0.001 0.000 1.108 1185 Q HN 0.000 nan 8.270 nan 0.000 0.481