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 1yw2_1_A DATA FIRST_RESID 1004 DATA SEQUENCE ERPTFYRQEL NKTIWEVPER YQNLSPVGSG AYGSVCAAFD TKTGHRVAVK DATA SEQUENCE KLSRPFQSII HAKRTYRELR LLKHMKHENV IGLLDVFTPA RSLEEFNDVY DATA SEQUENCE LVTHLMGADL NNIVKCQKLT DDHVQFLIYQ ILRGLKYIHS ADIIHRDLKP DATA SEQUENCE SNLAVNEDCE LKILDFGXAR HXXXXXXXXV ATRWYRAPEI MLNWMHYNQT DATA SEQUENCE VDIWSVGCIM AELLTGRTLF PGTDHIDQLK LILRLVGTPG AELLKKISSE DATA SEQUENCE SARNYIQSLA QMPKMNFANV FIGANPLAVD LLEKMLVLDS DKRITAAQAL DATA SEQUENCE AHAYFAQYHD PDDEPVADPY DQSFESRDLL IDEWKSLTYD EVISFVPPPL 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 1004 E HA 0.000 nan 4.350 nan 0.000 0.291 1004 E C 0.000 176.626 176.600 0.042 0.000 1.382 1004 E CA 0.000 56.415 56.400 0.025 0.000 0.976 1004 E CB 0.000 29.708 29.700 0.014 0.000 0.812 1005 R N 2.745 123.276 120.500 0.052 0.000 2.695 1005 R HA 0.383 4.729 4.340 0.009 0.000 0.288 1005 R C -2.539 173.817 176.300 0.093 0.000 1.344 1005 R CA -1.215 54.938 56.100 0.088 0.000 1.005 1005 R CB 1.006 31.369 30.300 0.106 0.000 1.233 1005 R HN 0.611 nan 8.270 nan 0.000 0.442 1006 P HA -0.004 nan 4.420 nan 0.000 0.270 1006 P C -0.582 176.748 177.300 0.051 0.000 1.221 1006 P CA -0.074 63.002 63.100 -0.039 0.000 0.788 1006 P CB 0.870 32.423 31.700 -0.244 0.000 0.904 1007 T N 0.186 114.735 114.554 -0.009 0.000 2.867 1007 T HA 0.560 4.916 4.350 0.009 0.000 0.282 1007 T C -0.680 174.062 174.700 0.069 0.000 1.000 1007 T CA -0.490 61.694 62.100 0.140 0.000 1.042 1007 T CB -0.040 68.893 68.868 0.108 0.000 0.973 1007 T HN 0.115 nan 8.240 nan 0.000 0.465 1008 F N 2.768 122.745 119.950 0.045 0.000 2.557 1008 F HA 0.687 5.220 4.527 0.009 0.000 0.336 1008 F C -0.342 175.547 175.800 0.149 0.000 1.058 1008 F CA -0.995 57.026 58.000 0.034 0.000 0.988 1008 F CB 1.354 40.339 39.000 -0.025 0.000 1.275 1008 F HN 0.694 nan 8.300 nan 0.000 0.488 1009 Y N -1.015 119.414 120.300 0.216 0.000 2.479 1009 Y HA 0.709 5.265 4.550 0.009 0.000 0.338 1009 Y C -1.124 174.883 175.900 0.179 0.000 1.055 1009 Y CA -1.627 56.566 58.100 0.154 0.000 1.023 1009 Y CB 1.173 39.689 38.460 0.093 0.000 1.287 1009 Y HN 0.465 nan 8.280 nan 0.000 0.447 1010 R N 3.660 124.298 120.500 0.230 0.000 2.536 1010 R HA 0.555 4.901 4.340 0.009 0.000 0.279 1010 R C -0.954 175.488 176.300 0.237 0.000 1.001 1010 R CA -0.841 55.362 56.100 0.171 0.000 1.027 1010 R CB 1.938 32.331 30.300 0.154 0.000 1.096 1010 R HN 1.019 nan 8.270 nan 0.000 0.502 1011 Q N -0.103 119.834 119.800 0.228 0.000 2.575 1011 Q HA 0.262 4.608 4.340 0.009 0.000 0.290 1011 Q C -1.484 174.657 176.000 0.236 0.000 0.963 1011 Q CA -0.870 55.068 55.803 0.226 0.000 0.783 1011 Q CB 1.996 30.881 28.738 0.246 0.000 1.467 1011 Q HN 0.593 nan 8.270 nan 0.000 0.402 1012 E N 1.895 122.207 120.200 0.187 0.000 2.070 1012 E HA 0.218 4.574 4.350 0.009 0.000 0.261 1012 E C -0.853 175.854 176.600 0.178 0.000 0.926 1012 E CA -0.597 55.923 56.400 0.200 0.000 0.760 1012 E CB 0.778 30.561 29.700 0.138 0.000 1.133 1012 E HN 0.440 nan 8.360 nan 0.000 0.420 1013 L N 5.592 126.963 121.223 0.247 0.000 2.480 1013 L HA 0.115 4.460 4.340 0.009 0.000 0.243 1013 L C -0.629 176.353 176.870 0.187 0.000 1.315 1013 L CA -0.355 54.561 54.840 0.127 0.000 1.231 1013 L CB -1.294 40.706 42.059 -0.098 0.000 1.444 1013 L HN 0.468 nan 8.230 nan 0.000 0.409 1014 N N 1.553 120.336 118.700 0.138 0.000 2.612 1014 N HA -0.273 4.472 4.740 0.009 0.000 0.303 1014 N C 0.687 176.264 175.510 0.111 0.000 1.320 1014 N CA 0.583 53.696 53.050 0.104 0.000 0.675 1014 N CB -0.100 38.430 38.487 0.072 0.000 1.032 1014 N HN 0.450 nan 8.380 nan 0.000 0.513 1015 K N 0.294 120.750 120.400 0.093 0.000 2.437 1015 K HA 0.062 4.387 4.320 0.009 0.000 0.205 1015 K C -0.197 176.461 176.600 0.096 0.000 1.026 1015 K CA 0.035 56.371 56.287 0.082 0.000 1.153 1015 K CB 0.358 32.889 32.500 0.052 0.000 0.863 1015 K HN 0.569 nan 8.250 nan 0.000 0.502 1016 T N 1.419 116.056 114.554 0.139 0.000 2.910 1016 T HA 0.260 4.615 4.350 0.009 0.000 0.293 1016 T C 0.423 175.256 174.700 0.222 0.000 1.015 1016 T CA -0.425 61.753 62.100 0.131 0.000 1.094 1016 T CB 1.403 70.350 68.868 0.131 0.000 0.968 1016 T HN -0.035 nan 8.240 nan 0.000 0.521 1017 I N 1.677 122.317 120.570 0.117 0.000 2.353 1017 I HA 0.317 4.493 4.170 0.009 0.000 0.293 1017 I C -0.788 175.404 176.117 0.126 0.000 0.992 1017 I CA -0.653 60.751 61.300 0.173 0.000 1.268 1017 I CB 0.973 39.031 38.000 0.096 0.000 1.387 1017 I HN 0.689 nan 8.210 nan 0.000 0.478 1018 W N 4.137 125.516 121.300 0.131 0.000 2.587 1018 W HA 0.457 5.123 4.660 0.009 0.000 0.324 1018 W C -0.375 176.203 176.519 0.098 0.000 1.040 1018 W CA -0.488 56.974 57.345 0.194 0.000 1.222 1018 W CB 1.281 30.825 29.460 0.140 0.000 1.381 1018 W HN 0.394 nan 8.180 nan 0.000 0.483 1019 E N 2.718 123.096 120.200 0.296 0.000 2.437 1019 E HA 0.436 4.791 4.350 0.009 0.000 0.238 1019 E C -0.735 175.922 176.600 0.095 0.000 0.969 1019 E CA -0.688 55.805 56.400 0.155 0.000 0.759 1019 E CB 1.054 30.860 29.700 0.177 0.000 1.283 1019 E HN 0.241 nan 8.360 nan 0.000 0.416 1020 V N -0.634 119.261 119.914 -0.030 0.000 3.040 1020 V HA 0.742 4.867 4.120 0.009 0.000 0.312 1020 V C -2.800 172.885 176.094 -0.681 0.000 1.115 1020 V CA -3.353 58.754 62.300 -0.321 0.000 0.998 1020 V CB 1.890 33.576 31.823 -0.228 0.000 1.042 1020 V HN 0.207 nan 8.190 nan 0.000 0.433 1021 P HA 0.162 nan 4.420 nan 0.000 0.269 1021 P C 0.607 177.731 177.300 -0.293 0.000 1.215 1021 P CA 0.088 62.608 63.100 -0.967 0.000 0.780 1021 P CB 0.534 31.708 31.700 -0.876 0.000 0.898 1022 E N 2.135 122.257 120.200 -0.129 0.000 2.333 1022 E HA -0.212 4.144 4.350 0.009 0.000 0.198 1022 E C 1.829 178.418 176.600 -0.019 0.000 1.007 1022 E CA 0.674 57.134 56.400 0.099 0.000 0.845 1022 E CB -0.073 29.642 29.700 0.025 0.000 0.766 1022 E HN 0.355 nan 8.360 nan 0.000 0.507 1023 R N -0.152 120.217 120.500 -0.219 0.000 2.153 1023 R HA -0.194 4.152 4.340 0.009 0.000 0.252 1023 R C 0.096 176.065 176.300 -0.552 0.000 1.158 1023 R CA 1.353 57.170 56.100 -0.471 0.000 0.975 1023 R CB -0.162 29.677 30.300 -0.769 0.000 0.871 1023 R HN 0.017 nan 8.270 nan 0.000 0.450 1024 Y N 0.620 120.906 120.300 -0.023 0.000 2.341 1024 Y HA 0.419 4.975 4.550 0.009 0.000 0.337 1024 Y C 0.055 176.044 175.900 0.149 0.000 1.014 1024 Y CA -1.003 57.123 58.100 0.042 0.000 1.111 1024 Y CB 1.625 40.099 38.460 0.024 0.000 1.194 1024 Y HN 0.022 nan 8.280 nan 0.000 0.462 1025 Q N 0.697 120.675 119.800 0.297 0.000 2.587 1025 Q HA 0.331 4.677 4.340 0.009 0.000 0.293 1025 Q C -0.571 175.550 176.000 0.202 0.000 1.083 1025 Q CA -1.279 54.670 55.803 0.245 0.000 0.792 1025 Q CB 1.902 30.740 28.738 0.166 0.000 1.484 1025 Q HN 0.766 nan 8.270 nan 0.000 0.446 1026 N N -0.126 118.652 118.700 0.128 0.000 2.740 1026 N HA -0.155 4.590 4.740 0.009 0.000 0.248 1026 N C -0.892 174.645 175.510 0.045 0.000 1.062 1026 N CA 0.128 53.221 53.050 0.071 0.000 0.704 1026 N CB -0.693 37.828 38.487 0.058 0.000 0.968 1026 N HN 0.365 nan 8.380 nan 0.000 0.547 1027 L N 0.427 121.666 121.223 0.027 0.000 2.654 1027 L HA 0.097 4.442 4.340 0.009 0.000 0.271 1027 L C 0.707 177.488 176.870 -0.148 0.000 1.169 1027 L CA 1.146 55.921 54.840 -0.108 0.000 0.947 1027 L CB 0.223 42.152 42.059 -0.216 0.000 1.232 1027 L HN 0.285 nan 8.230 nan 0.000 0.486 1028 S N 6.326 121.944 115.700 -0.136 0.000 2.605 1028 S HA 0.549 5.024 4.470 0.009 0.000 0.308 1028 S C -2.394 172.137 174.600 -0.116 0.000 1.113 1028 S CA -1.371 56.768 58.200 -0.102 0.000 1.049 1028 S CB 1.700 64.876 63.200 -0.038 0.000 1.001 1028 S HN 0.289 nan 8.310 nan 0.000 0.480 1029 P HA 0.029 nan 4.420 nan 0.000 0.266 1029 P C 0.413 177.711 177.300 -0.003 0.000 1.193 1029 P CA -0.015 63.055 63.100 -0.050 0.000 0.770 1029 P CB 0.545 32.244 31.700 -0.000 0.000 0.836 1030 V N -0.587 119.346 119.914 0.032 0.000 3.432 1030 V HA 0.672 4.797 4.120 0.009 0.000 0.290 1030 V C 0.304 176.443 176.094 0.076 0.000 1.591 1030 V CA 0.434 62.763 62.300 0.048 0.000 1.069 1030 V CB 0.073 31.924 31.823 0.045 0.000 0.892 1030 V HN 0.772 nan 8.190 nan 0.000 0.436 1031 G N 0.298 109.152 108.800 0.089 0.000 2.350 1031 G HA2 0.553 4.519 3.960 0.009 0.000 0.305 1031 G HA3 0.553 4.519 3.960 0.009 0.000 0.305 1031 G C -0.884 174.081 174.900 0.108 0.000 1.479 1031 G CA 0.202 45.362 45.100 0.099 0.000 0.949 1031 G HN 1.553 nan 8.290 nan 0.000 0.651 1032 S N -0.922 114.833 115.700 0.093 0.000 2.542 1032 S HA 0.903 5.379 4.470 0.009 0.000 0.276 1032 S C 0.176 174.814 174.600 0.063 0.000 1.148 1032 S CA 0.276 58.526 58.200 0.083 0.000 0.886 1032 S CB 1.590 64.843 63.200 0.087 0.000 1.109 1032 S HN 2.239 nan 8.310 nan 0.000 0.458 1033 G N 0.371 109.205 108.800 0.057 0.000 3.122 1033 G HA2 0.715 4.680 3.960 0.009 0.000 0.180 1033 G HA3 0.715 4.680 3.960 0.009 0.000 0.180 1033 G C 0.672 175.601 174.900 0.049 0.000 1.279 1033 G CA -0.343 44.792 45.100 0.058 0.000 0.987 1033 G HN 1.348 nan 8.290 nan 0.000 0.589 1034 A N -1.863 121.001 122.820 0.074 0.000 2.178 1034 A HA 0.351 4.677 4.320 0.009 0.000 0.211 1034 A C 1.149 178.710 177.584 -0.039 0.000 1.157 1034 A CA 0.662 52.712 52.037 0.022 0.000 0.780 1034 A CB -0.134 18.894 19.000 0.047 0.000 0.828 1034 A HN 0.473 nan 8.150 nan 0.000 0.476 1035 Y N -0.888 119.387 120.300 -0.042 0.000 2.612 1035 Y HA 0.445 5.001 4.550 0.010 0.000 0.250 1035 Y C 1.028 176.864 175.900 -0.105 0.000 1.175 1035 Y CA 0.269 58.324 58.100 -0.075 0.000 1.205 1035 Y CB 0.961 39.341 38.460 -0.135 0.000 1.201 1035 Y HN 0.384 nan 8.280 nan 0.000 0.532 1036 G N -1.117 107.695 108.800 0.020 0.000 2.313 1036 G HA2 0.398 4.363 3.960 0.009 0.000 0.296 1036 G HA3 0.398 4.363 3.960 0.009 0.000 0.296 1036 G C -1.558 173.342 174.900 -0.001 0.000 1.356 1036 G CA -0.882 44.190 45.100 -0.046 0.000 0.833 1036 G HN -0.167 nan 8.290 nan 0.000 0.552 1037 S N -0.938 114.765 115.700 0.006 0.000 2.614 1037 S HA 0.726 5.202 4.470 0.009 0.000 0.288 1037 S C -0.376 174.412 174.600 0.312 0.000 1.137 1037 S CA -0.604 57.687 58.200 0.151 0.000 0.992 1037 S CB 1.845 65.159 63.200 0.191 0.000 1.026 1037 S HN 0.904 nan 8.310 nan 0.000 0.486 1038 V N 1.513 121.601 119.914 0.289 0.000 2.769 1038 V HA 0.637 4.762 4.120 0.009 0.000 0.312 1038 V C -0.310 175.894 176.094 0.183 0.000 1.058 1038 V CA -0.587 61.884 62.300 0.285 0.000 0.952 1038 V CB 1.722 33.634 31.823 0.149 0.000 1.019 1038 V HN 1.018 nan 8.190 nan 0.000 0.445 1039 C N 2.303 121.628 119.300 0.042 0.000 2.609 1039 C HA 0.825 5.291 4.460 0.009 0.000 0.313 1039 C C 0.570 175.516 174.990 -0.074 0.000 1.175 1039 C CA -0.784 58.127 59.018 -0.179 0.000 1.434 1039 C CB 1.201 28.544 27.740 -0.663 0.000 2.005 1039 C HN 1.067 nan 8.230 nan 0.000 0.471 1040 A N 2.218 125.011 122.820 -0.045 0.000 2.304 1040 A HA 0.931 5.256 4.320 0.009 0.000 0.271 1040 A C 0.015 177.613 177.584 0.024 0.000 1.091 1040 A CA 0.392 52.437 52.037 0.014 0.000 0.812 1040 A CB 0.522 19.543 19.000 0.035 0.000 1.056 1040 A HN 1.912 nan 8.150 nan 0.000 0.489 1041 A N -0.277 122.601 122.820 0.097 0.000 2.544 1041 A HA 0.578 4.904 4.320 0.009 0.000 0.291 1041 A C -1.616 176.135 177.584 0.278 0.000 1.055 1041 A CA -0.482 51.654 52.037 0.163 0.000 0.651 1041 A CB 0.327 19.410 19.000 0.138 0.000 1.296 1041 A HN 1.569 nan 8.150 nan 0.000 0.431 1042 F N 1.380 121.413 119.950 0.139 0.000 2.426 1042 F HA 0.544 5.077 4.527 0.010 0.000 0.348 1042 F C -0.169 175.713 175.800 0.137 0.000 1.124 1042 F CA -0.697 57.378 58.000 0.125 0.000 1.008 1042 F CB 1.325 40.365 39.000 0.067 0.000 1.139 1042 F HN 0.557 nan 8.300 nan 0.000 0.452 1043 D N 3.959 124.128 120.400 -0.385 0.000 2.402 1043 D HA 0.058 4.703 4.640 0.009 0.000 0.235 1043 D C 1.358 177.209 176.300 -0.748 0.000 1.226 1043 D CA 0.238 53.974 54.000 -0.440 0.000 0.918 1043 D CB 0.911 41.606 40.800 -0.176 0.000 1.043 1043 D HN 0.669 nan 8.370 nan 0.000 0.506 1044 T N 0.922 115.172 114.554 -0.506 0.000 2.977 1044 T HA -0.158 4.197 4.350 0.009 0.000 0.271 1044 T C 1.648 176.188 174.700 -0.267 0.000 1.105 1044 T CA 0.863 62.785 62.100 -0.296 0.000 1.116 1044 T CB 0.040 68.856 68.868 -0.086 0.000 0.878 1044 T HN 0.311 nan 8.240 nan 0.000 0.509 1045 K N 1.189 121.403 120.400 -0.311 0.000 2.007 1045 K HA -0.054 4.271 4.320 0.009 0.000 0.206 1045 K C 2.444 178.934 176.600 -0.182 0.000 1.047 1045 K CA 1.672 57.832 56.287 -0.212 0.000 0.937 1045 K CB -0.188 32.191 32.500 -0.201 0.000 0.718 1045 K HN 0.572 nan 8.250 nan 0.000 0.438 1046 T N -2.970 111.454 114.554 -0.217 0.000 3.081 1046 T HA 0.164 4.519 4.350 0.009 0.000 0.250 1046 T C 0.971 175.418 174.700 -0.421 0.000 1.100 1046 T CA 0.321 62.284 62.100 -0.229 0.000 1.038 1046 T CB 0.373 69.191 68.868 -0.084 0.000 0.962 1046 T HN 0.332 nan 8.240 nan 0.000 0.516 1047 G N 1.865 110.393 108.800 -0.453 0.000 2.338 1047 G HA2 -0.202 3.764 3.960 0.009 0.000 0.296 1047 G HA3 -0.202 3.764 3.960 0.009 0.000 0.296 1047 G C -0.283 174.272 174.900 -0.576 0.000 1.040 1047 G CA 0.114 44.915 45.100 -0.498 0.000 1.004 1047 G HN 0.708 nan 8.290 nan 0.000 0.509 1048 H N -0.782 117.934 119.070 -0.589 0.000 2.771 1048 H HA 0.555 5.117 4.556 0.009 0.000 0.367 1048 H C 0.522 175.773 175.328 -0.128 0.000 1.172 1048 H CA -0.857 55.073 56.048 -0.196 0.000 1.186 1048 H CB 1.351 31.069 29.762 -0.072 0.000 1.790 1048 H HN 0.277 nan 8.280 nan 0.000 0.556 1049 R N 1.111 121.784 120.500 0.288 0.000 2.312 1049 R HA 0.446 4.791 4.340 0.009 0.000 0.311 1049 R C -0.622 175.776 176.300 0.162 0.000 1.004 1049 R CA -0.691 55.564 56.100 0.259 0.000 0.902 1049 R CB 1.097 31.554 30.300 0.261 0.000 1.073 1049 R HN 0.378 nan 8.270 nan 0.000 0.457 1050 V N -0.772 119.232 119.914 0.151 0.000 3.102 1050 V HA 0.868 4.994 4.120 0.009 0.000 0.312 1050 V C -0.596 175.544 176.094 0.078 0.000 1.135 1050 V CA -1.260 61.101 62.300 0.102 0.000 1.022 1050 V CB 1.947 33.838 31.823 0.113 0.000 1.056 1050 V HN 0.794 nan 8.190 nan 0.000 0.436 1051 A N 1.587 124.437 122.820 0.050 0.000 2.292 1051 A HA 0.836 5.162 4.320 0.009 0.000 0.319 1051 A C -0.543 177.063 177.584 0.036 0.000 1.206 1051 A CA -0.626 51.440 52.037 0.048 0.000 0.835 1051 A CB 1.203 20.235 19.000 0.055 0.000 1.164 1051 A HN 1.377 nan 8.150 nan 0.000 0.505 1052 V N 2.980 122.936 119.914 0.069 0.000 2.378 1052 V HA 0.375 4.501 4.120 0.009 0.000 0.288 1052 V C 0.103 176.392 176.094 0.326 0.000 1.016 1052 V CA -0.651 61.739 62.300 0.151 0.000 0.840 1052 V CB 1.297 33.240 31.823 0.200 0.000 0.994 1052 V HN 0.899 nan 8.190 nan 0.000 0.431 1053 K N 4.455 124.971 120.400 0.193 0.000 2.263 1053 K HA 0.421 4.746 4.320 0.009 0.000 0.272 1053 K C -0.311 176.239 176.600 -0.082 0.000 1.033 1053 K CA -0.615 55.746 56.287 0.123 0.000 0.884 1053 K CB 0.911 33.417 32.500 0.010 0.000 1.107 1053 K HN 0.656 nan 8.250 nan 0.000 0.460 1054 K N 6.210 126.422 120.400 -0.313 0.000 2.253 1054 K HA 0.215 4.541 4.320 0.009 0.000 0.277 1054 K C -0.399 175.853 176.600 -0.581 0.000 1.053 1054 K CA -0.540 55.232 56.287 -0.857 0.000 0.892 1054 K CB 0.620 32.206 32.500 -1.523 0.000 1.102 1054 K HN 0.612 nan 8.250 nan 0.000 0.469 1055 L N 3.272 124.170 121.223 -0.542 0.000 2.461 1055 L HA -0.020 4.325 4.340 0.009 0.000 0.272 1055 L C 1.411 178.060 176.870 -0.367 0.000 1.197 1055 L CA -0.081 54.539 54.840 -0.367 0.000 0.836 1055 L CB 1.228 43.072 42.059 -0.357 0.000 1.105 1055 L HN 0.872 nan 8.230 nan 0.000 0.477 1056 S N 2.003 117.555 115.700 -0.247 0.000 2.336 1056 S HA 0.010 4.485 4.470 0.009 0.000 0.214 1056 S C 0.572 174.997 174.600 -0.292 0.000 1.032 1056 S CA 1.032 59.082 58.200 -0.250 0.000 1.001 1056 S CB 0.043 63.130 63.200 -0.188 0.000 0.953 1056 S HN 0.558 nan 8.310 nan 0.000 0.430 1057 R N 0.967 121.288 120.500 -0.298 0.000 2.718 1057 R HA 0.232 4.577 4.340 0.009 0.000 0.266 1057 R C -2.660 173.415 176.300 -0.376 0.000 1.776 1057 R CA -1.478 54.403 56.100 -0.366 0.000 1.567 1057 R CB 0.920 30.967 30.300 -0.421 0.000 1.336 1057 R HN 0.267 nan 8.270 nan 0.000 0.619 1058 P HA -0.141 nan 4.420 nan 0.000 0.217 1058 P C 0.227 177.036 177.300 -0.819 0.000 1.148 1058 P CA 1.398 63.997 63.100 -0.835 0.000 0.828 1058 P CB 0.114 30.853 31.700 -1.602 0.000 0.783 1059 F N -0.888 119.007 119.950 -0.091 0.000 2.881 1059 F HA 0.321 4.853 4.527 0.009 0.000 0.343 1059 F C 2.020 177.767 175.800 -0.088 0.000 1.233 1059 F CA -0.770 57.200 58.000 -0.050 0.000 1.262 1059 F CB -0.662 38.292 39.000 -0.077 0.000 0.980 1059 F HN -0.119 nan 8.300 nan 0.000 0.506 1060 Q N 1.226 120.949 119.800 -0.128 0.000 2.297 1060 Q HA -0.009 4.337 4.340 0.009 0.000 0.204 1060 Q C 0.143 176.091 176.000 -0.085 0.000 0.962 1060 Q CA 1.196 56.868 55.803 -0.218 0.000 0.879 1060 Q CB 0.401 28.810 28.738 -0.549 0.000 0.947 1060 Q HN 0.467 nan 8.270 nan 0.000 0.462 1061 S N -2.032 113.687 115.700 0.031 0.000 2.643 1061 S HA 0.303 4.778 4.470 0.009 0.000 0.270 1061 S C 0.571 175.264 174.600 0.156 0.000 1.166 1061 S CA -0.871 57.383 58.200 0.089 0.000 0.815 1061 S CB 0.078 63.329 63.200 0.086 0.000 1.139 1061 S HN 0.156 nan 8.310 nan 0.000 0.472 1062 I N 0.388 121.046 120.570 0.148 0.000 2.226 1062 I HA -0.140 4.035 4.170 0.009 0.000 0.245 1062 I C 1.580 177.735 176.117 0.064 0.000 1.100 1062 I CA 1.301 62.711 61.300 0.183 0.000 1.374 1062 I CB -0.252 37.870 38.000 0.203 0.000 1.057 1062 I HN 0.570 nan 8.210 nan 0.000 0.413 1063 I N 0.204 120.817 120.570 0.073 0.000 2.252 1063 I HA -0.283 3.892 4.170 0.009 0.000 0.245 1063 I C 2.386 178.506 176.117 0.006 0.000 1.102 1063 I CA 1.628 62.942 61.300 0.023 0.000 1.385 1063 I CB -1.202 36.838 38.000 0.067 0.000 1.064 1063 I HN 0.196 nan 8.210 nan 0.000 0.414 1064 H N 0.108 119.187 119.070 0.015 0.000 2.353 1064 H HA -0.050 4.512 4.556 0.009 0.000 0.300 1064 H C 2.206 177.505 175.328 -0.048 0.000 1.090 1064 H CA 1.793 57.852 56.048 0.019 0.000 1.327 1064 H CB -0.064 29.660 29.762 -0.064 0.000 1.383 1064 H HN 0.311 nan 8.280 nan 0.000 0.508 1065 A N 0.781 123.674 122.820 0.123 0.000 1.851 1065 A HA -0.238 4.088 4.320 0.009 0.000 0.216 1065 A C 2.156 179.667 177.584 -0.122 0.000 1.195 1065 A CA 1.936 54.089 52.037 0.193 0.000 0.622 1065 A CB -0.581 18.636 19.000 0.362 0.000 0.831 1065 A HN 0.409 nan 8.150 nan 0.000 0.444 1066 K N -0.524 119.478 120.400 -0.662 0.000 2.209 1066 K HA -0.216 4.109 4.320 0.009 0.000 0.204 1066 K C 2.178 178.538 176.600 -0.401 0.000 1.048 1066 K CA 1.696 57.341 56.287 -1.070 0.000 0.940 1066 K CB -0.071 31.675 32.500 -1.257 0.000 0.729 1066 K HN 0.422 nan 8.250 nan 0.000 0.451 1067 R N 0.042 120.374 120.500 -0.279 0.000 2.100 1067 R HA 0.018 4.364 4.340 0.009 0.000 0.220 1067 R C 1.739 177.855 176.300 -0.306 0.000 1.091 1067 R CA 1.900 57.833 56.100 -0.279 0.000 0.986 1067 R CB -0.773 29.325 30.300 -0.337 0.000 0.888 1067 R HN 0.012 nan 8.270 nan 0.000 0.444 1068 T N 0.454 114.877 114.554 -0.217 0.000 2.624 1068 T HA -0.264 4.092 4.350 0.009 0.000 0.268 1068 T C 1.397 176.019 174.700 -0.130 0.000 1.041 1068 T CA 1.999 63.981 62.100 -0.196 0.000 1.159 1068 T CB -0.684 68.065 68.868 -0.197 0.000 0.863 1068 T HN 0.402 nan 8.240 nan 0.000 0.434 1069 Y N 2.109 122.321 120.300 -0.147 0.000 2.128 1069 Y HA -0.236 4.320 4.550 0.009 0.000 0.284 1069 Y C 2.822 178.551 175.900 -0.287 0.000 1.154 1069 Y CA 2.006 60.017 58.100 -0.149 0.000 1.149 1069 Y CB -0.166 38.228 38.460 -0.111 0.000 0.976 1069 Y HN 0.022 nan 8.280 nan 0.000 0.505 1070 R N 0.530 120.856 120.500 -0.290 0.000 2.083 1070 R HA -0.251 4.095 4.340 0.009 0.000 0.237 1070 R C 2.278 178.386 176.300 -0.319 0.000 1.137 1070 R CA 2.147 58.162 56.100 -0.143 0.000 0.951 1070 R CB -0.508 29.844 30.300 0.087 0.000 0.851 1070 R HN 0.561 nan 8.270 nan 0.000 0.434 1071 E N 0.389 120.227 120.200 -0.602 0.000 2.028 1071 E HA -0.172 4.184 4.350 0.009 0.000 0.191 1071 E C 2.181 178.587 176.600 -0.324 0.000 0.988 1071 E CA 0.981 56.910 56.400 -0.786 0.000 0.799 1071 E CB -0.104 29.086 29.700 -0.850 0.000 0.755 1071 E HN 0.397 nan 8.360 nan 0.000 0.447 1072 L N 0.699 121.758 121.223 -0.274 0.000 2.012 1072 L HA -0.226 4.119 4.340 0.009 0.000 0.210 1072 L C 2.652 179.436 176.870 -0.143 0.000 1.073 1072 L CA 1.320 56.055 54.840 -0.175 0.000 0.748 1072 L CB -0.296 41.690 42.059 -0.122 0.000 0.891 1072 L HN 0.210 nan 8.230 nan 0.000 0.431 1073 R N -0.456 119.882 120.500 -0.270 0.000 2.083 1073 R HA -0.192 4.153 4.340 0.009 0.000 0.237 1073 R C 2.030 178.411 176.300 0.135 0.000 1.137 1073 R CA 1.223 57.250 56.100 -0.122 0.000 0.951 1073 R CB -1.166 28.900 30.300 -0.390 0.000 0.851 1073 R HN 0.295 nan 8.270 nan 0.000 0.434 1074 L N 1.077 122.369 121.223 0.114 0.000 2.027 1074 L HA -0.042 4.304 4.340 0.009 0.000 0.206 1074 L C 2.255 179.166 176.870 0.068 0.000 1.074 1074 L CA 1.401 56.257 54.840 0.026 0.000 0.745 1074 L CB -0.736 41.420 42.059 0.163 0.000 0.898 1074 L HN 0.081 nan 8.230 nan 0.000 0.433 1075 L N -0.605 120.672 121.223 0.091 0.000 2.079 1075 L HA -0.274 4.072 4.340 0.009 0.000 0.210 1075 L C 2.477 179.404 176.870 0.096 0.000 1.081 1075 L CA 1.449 56.336 54.840 0.077 0.000 0.752 1075 L CB -0.511 41.560 42.059 0.021 0.000 0.896 1075 L HN 0.275 nan 8.230 nan 0.000 0.433 1076 K N -1.413 119.056 120.400 0.115 0.000 2.288 1076 K HA -0.185 4.141 4.320 0.009 0.000 0.201 1076 K C 1.870 178.612 176.600 0.235 0.000 1.048 1076 K CA 0.833 57.241 56.287 0.200 0.000 0.956 1076 K CB -0.064 32.568 32.500 0.220 0.000 0.746 1076 K HN 0.284 nan 8.250 nan 0.000 0.461 1077 H N -0.200 118.929 119.070 0.097 0.000 2.497 1077 H HA 0.161 4.722 4.556 0.009 0.000 0.282 1077 H C 0.093 175.494 175.328 0.122 0.000 1.003 1077 H CA 0.372 56.475 56.048 0.092 0.000 1.307 1077 H CB 0.412 30.140 29.762 -0.057 0.000 1.437 1077 H HN -0.110 nan 8.280 nan 0.000 0.544 1078 M N 1.951 121.627 119.600 0.127 0.000 2.108 1078 M HA 0.187 4.673 4.480 0.009 0.000 0.347 1078 M C -0.710 175.642 176.300 0.087 0.000 1.326 1078 M CA 0.379 55.772 55.300 0.155 0.000 1.126 1078 M CB 0.757 33.442 32.600 0.141 0.000 1.606 1078 M HN 0.139 nan 8.290 nan 0.000 0.462 1079 K N 3.256 123.693 120.400 0.062 0.000 2.624 1079 K HA 0.453 4.779 4.320 0.009 0.000 0.200 1079 K C -1.059 175.381 176.600 -0.267 0.000 1.036 1079 K CA -0.362 55.904 56.287 -0.035 0.000 1.029 1079 K CB 1.148 33.661 32.500 0.022 0.000 1.317 1079 K HN 0.680 nan 8.250 nan 0.000 0.555 1080 H N 0.214 119.006 119.070 -0.464 0.000 3.079 1080 H HA 0.057 4.618 4.556 0.009 0.000 0.356 1080 H C 0.411 175.539 175.328 -0.335 0.000 1.221 1080 H CA -0.600 55.095 56.048 -0.588 0.000 1.185 1080 H CB 1.534 30.577 29.762 -1.198 0.000 1.882 1080 H HN 0.417 nan 8.280 nan 0.000 0.543 1081 E N 2.226 122.224 120.200 -0.336 0.000 2.347 1081 E HA -0.117 4.239 4.350 0.009 0.000 0.196 1081 E C 0.134 176.681 176.600 -0.090 0.000 1.008 1081 E CA 0.909 57.186 56.400 -0.205 0.000 0.852 1081 E CB 0.045 29.609 29.700 -0.228 0.000 0.783 1081 E HN 0.583 nan 8.360 nan 0.000 0.505 1082 N N 0.427 119.204 118.700 0.128 0.000 2.230 1082 N HA 0.104 4.850 4.740 0.009 0.000 0.202 1082 N C -0.924 174.546 175.510 -0.065 0.000 1.119 1082 N CA -0.118 52.945 53.050 0.022 0.000 0.851 1082 N CB 1.224 39.722 38.487 0.018 0.000 0.990 1082 N HN -0.114 nan 8.380 nan 0.000 0.497 1083 V N 1.306 121.190 119.914 -0.051 0.000 2.709 1083 V HA 0.309 4.435 4.120 0.009 0.000 0.308 1083 V C -0.133 175.946 176.094 -0.025 0.000 1.062 1083 V CA -1.032 61.222 62.300 -0.078 0.000 0.901 1083 V CB 2.313 34.072 31.823 -0.108 0.000 1.003 1083 V HN 0.056 nan 8.190 nan 0.000 0.425 1084 I N 3.587 124.158 120.570 0.001 0.000 2.668 1084 I HA 0.313 4.489 4.170 0.009 0.000 0.285 1084 I C 0.984 177.144 176.117 0.072 0.000 1.168 1084 I CA 1.106 62.436 61.300 0.051 0.000 1.424 1084 I CB 0.424 38.453 38.000 0.049 0.000 1.377 1084 I HN 0.840 nan 8.210 nan 0.000 0.560 1085 G N 6.578 115.445 108.800 0.111 0.000 3.140 1085 G HA2 0.674 4.640 3.960 0.009 0.000 0.271 1085 G HA3 0.674 4.640 3.960 0.009 0.000 0.271 1085 G C -1.049 173.891 174.900 0.068 0.000 1.370 1085 G CA -0.774 44.388 45.100 0.103 0.000 1.014 1085 G HN 0.426 nan 8.290 nan 0.000 0.541 1086 L N 1.242 122.497 121.223 0.054 0.000 2.282 1086 L HA 0.280 4.625 4.340 0.009 0.000 0.288 1086 L C 0.769 177.666 176.870 0.044 0.000 1.033 1086 L CA -0.902 53.918 54.840 -0.033 0.000 0.807 1086 L CB 1.812 43.758 42.059 -0.189 0.000 1.209 1086 L HN 0.316 nan 8.230 nan 0.000 0.423 1087 L N 1.356 122.552 121.223 -0.045 0.000 2.202 1087 L HA 0.208 4.553 4.340 0.009 0.000 0.205 1087 L C 0.333 177.324 176.870 0.201 0.000 1.083 1087 L CA 1.318 56.184 54.840 0.042 0.000 0.790 1087 L CB -0.581 41.419 42.059 -0.098 0.000 0.942 1087 L HN 0.631 nan 8.230 nan 0.000 0.452 1088 D N -2.243 118.173 120.400 0.026 0.000 2.609 1088 D HA 0.430 5.075 4.640 0.009 0.000 0.239 1088 D C -1.387 174.735 176.300 -0.296 0.000 1.229 1088 D CA -0.142 53.866 54.000 0.014 0.000 0.808 1088 D CB 3.186 44.155 40.800 0.282 0.000 1.448 1088 D HN -0.282 nan 8.370 nan 0.000 0.433 1089 V N 3.191 122.918 119.914 -0.313 0.000 2.733 1089 V HA 0.861 4.986 4.120 0.009 0.000 0.306 1089 V C -1.635 174.512 176.094 0.088 0.000 1.084 1089 V CA -0.471 61.679 62.300 -0.250 0.000 0.905 1089 V CB 1.189 32.776 31.823 -0.393 0.000 1.010 1089 V HN 0.519 nan 8.190 nan 0.000 0.424 1090 F N 2.653 122.672 119.950 0.115 0.000 2.685 1090 F HA 0.925 5.457 4.527 0.009 0.000 0.315 1090 F C -0.747 175.269 175.800 0.361 0.000 1.126 1090 F CA -0.690 57.444 58.000 0.222 0.000 0.950 1090 F CB 1.874 41.010 39.000 0.227 0.000 1.360 1090 F HN 0.526 nan 8.300 nan 0.000 0.469 1091 T N 1.120 116.061 114.554 0.645 0.000 2.956 1091 T HA 0.477 4.832 4.350 0.009 0.000 0.312 1091 T C -2.395 172.513 174.700 0.346 0.000 1.151 1091 T CA -1.536 60.904 62.100 0.568 0.000 1.024 1091 T CB 1.990 71.222 68.868 0.607 0.000 1.140 1091 T HN 0.550 nan 8.240 nan 0.000 0.473 1092 P HA 0.210 nan 4.420 nan 0.000 0.224 1092 P C 0.646 177.785 177.300 -0.268 0.000 1.157 1092 P CA 0.190 62.935 63.100 -0.592 0.000 0.799 1092 P CB -0.206 31.248 31.700 -0.409 0.000 0.809 1093 A N 0.795 123.632 122.820 0.028 0.000 2.567 1093 A HA -0.009 4.316 4.320 0.009 0.000 0.236 1093 A C 1.443 179.078 177.584 0.086 0.000 1.088 1093 A CA 0.598 52.695 52.037 0.100 0.000 0.776 1093 A CB 0.007 19.167 19.000 0.267 0.000 1.033 1093 A HN -0.010 nan 8.150 nan 0.000 0.513 1094 R N -0.922 119.628 120.500 0.082 0.000 2.469 1094 R HA 0.158 4.503 4.340 0.009 0.000 0.250 1094 R C 0.131 176.495 176.300 0.107 0.000 0.909 1094 R CA 1.010 57.161 56.100 0.084 0.000 1.050 1094 R CB 0.104 30.432 30.300 0.045 0.000 1.256 1094 R HN 0.954 nan 8.270 nan 0.000 0.550 1095 S N -1.163 114.584 115.700 0.078 0.000 2.618 1095 S HA 0.185 4.660 4.470 0.009 0.000 0.277 1095 S C 0.706 175.164 174.600 -0.237 0.000 1.138 1095 S CA -0.750 57.446 58.200 -0.008 0.000 0.844 1095 S CB 1.373 64.553 63.200 -0.033 0.000 1.127 1095 S HN -0.030 nan 8.310 nan 0.000 0.474 1096 L N 1.574 122.456 121.223 -0.569 0.000 2.043 1096 L HA 0.028 4.373 4.340 0.009 0.000 0.212 1096 L C 2.244 178.921 176.870 -0.322 0.000 1.075 1096 L CA 2.320 56.645 54.840 -0.858 0.000 0.752 1096 L CB -1.297 40.343 42.059 -0.698 0.000 0.891 1096 L HN 0.937 nan 8.230 nan 0.000 0.432 1097 E N 0.143 120.228 120.200 -0.192 0.000 2.086 1097 E HA -0.266 4.089 4.350 0.009 0.000 0.200 1097 E C 1.901 178.473 176.600 -0.047 0.000 1.012 1097 E CA 2.098 58.440 56.400 -0.097 0.000 0.812 1097 E CB -0.196 29.464 29.700 -0.067 0.000 0.743 1097 E HN 0.820 nan 8.360 nan 0.000 0.453 1098 E N -0.404 119.789 120.200 -0.013 0.000 2.481 1098 E HA -0.021 4.335 4.350 0.009 0.000 0.198 1098 E C -0.103 176.568 176.600 0.119 0.000 1.027 1098 E CA -0.418 56.003 56.400 0.035 0.000 0.900 1098 E CB -0.102 29.620 29.700 0.036 0.000 0.993 1098 E HN 0.099 nan 8.360 nan 0.000 0.482 1099 F N 2.725 122.628 119.950 -0.078 0.000 2.602 1099 F HA 0.043 4.576 4.527 0.009 0.000 0.385 1099 F C 0.570 176.413 175.800 0.072 0.000 1.063 1099 F CA 0.305 58.311 58.000 0.009 0.000 1.233 1099 F CB 0.333 39.280 39.000 -0.088 0.000 1.067 1099 F HN -0.033 nan 8.300 nan 0.000 0.564 1100 N N 1.783 120.434 118.700 -0.080 0.000 1.872 1100 N HA 0.033 4.778 4.740 0.009 0.000 0.223 1100 N C -1.709 173.702 175.510 -0.165 0.000 1.424 1100 N CA -0.149 52.850 53.050 -0.086 0.000 0.710 1100 N CB 0.210 38.687 38.487 -0.017 0.000 1.074 1100 N HN 0.427 nan 8.380 nan 0.000 0.544 1101 D N 0.327 120.633 120.400 -0.157 0.000 2.619 1101 D HA 0.465 5.111 4.640 0.009 0.000 0.241 1101 D C -1.048 175.191 176.300 -0.101 0.000 1.087 1101 D CA -0.294 53.590 54.000 -0.193 0.000 0.851 1101 D CB 2.738 43.490 40.800 -0.080 0.000 1.474 1101 D HN -0.219 nan 8.370 nan 0.000 0.478 1102 V N 2.551 122.291 119.914 -0.289 0.000 2.577 1102 V HA 0.435 4.560 4.120 0.009 0.000 0.303 1102 V C -1.239 174.576 176.094 -0.465 0.000 1.042 1102 V CA -0.750 61.444 62.300 -0.176 0.000 0.872 1102 V CB 1.280 33.005 31.823 -0.162 0.000 0.998 1102 V HN 0.404 nan 8.190 nan 0.000 0.423 1103 Y N 4.382 124.429 120.300 -0.422 0.000 2.409 1103 Y HA 0.749 5.305 4.550 0.009 0.000 0.343 1103 Y C -0.183 175.326 175.900 -0.652 0.000 0.973 1103 Y CA -0.935 56.764 58.100 -0.667 0.000 1.064 1103 Y CB 1.906 39.615 38.460 -1.252 0.000 1.207 1103 Y HN 0.433 nan 8.280 nan 0.000 0.452 1104 L N 3.860 124.913 121.223 -0.283 0.000 2.346 1104 L HA 0.821 5.167 4.340 0.009 0.000 0.276 1104 L C -0.984 175.791 176.870 -0.158 0.000 1.006 1104 L CA -1.152 53.552 54.840 -0.225 0.000 0.817 1104 L CB 1.736 43.696 42.059 -0.166 0.000 1.272 1104 L HN 0.302 nan 8.230 nan 0.000 0.421 1105 V N 1.382 121.205 119.914 -0.152 0.000 2.540 1105 V HA 0.715 4.841 4.120 0.009 0.000 0.302 1105 V C -0.114 175.921 176.094 -0.099 0.000 1.035 1105 V CA -0.306 61.933 62.300 -0.101 0.000 0.873 1105 V CB 1.981 33.762 31.823 -0.070 0.000 0.992 1105 V HN 0.883 nan 8.190 nan 0.000 0.428 1106 T N 1.335 115.837 114.554 -0.088 0.000 2.754 1106 T HA 0.426 4.781 4.350 0.009 0.000 0.296 1106 T C -0.973 173.645 174.700 -0.137 0.000 1.205 1106 T CA -0.651 61.360 62.100 -0.149 0.000 1.009 1106 T CB 1.360 70.216 68.868 -0.020 0.000 1.368 1106 T HN 0.802 nan 8.240 nan 0.000 0.509 1107 H N 2.122 121.193 119.070 0.002 0.000 2.975 1107 H HA 0.259 4.821 4.556 0.009 0.000 0.303 1107 H C 0.157 175.483 175.328 -0.003 0.000 1.023 1107 H CA -0.437 55.598 56.048 -0.022 0.000 1.473 1107 H CB 0.327 30.052 29.762 -0.063 0.000 1.498 1107 H HN 0.302 nan 8.280 nan 0.000 0.549 1108 L N 3.535 124.827 121.223 0.115 0.000 2.455 1108 L HA -0.063 4.283 4.340 0.009 0.000 0.272 1108 L C 0.896 177.812 176.870 0.078 0.000 1.174 1108 L CA 0.122 55.016 54.840 0.089 0.000 0.869 1108 L CB 0.537 42.649 42.059 0.089 0.000 1.130 1108 L HN 0.645 nan 8.230 nan 0.000 0.474 1109 M N 3.006 122.641 119.600 0.059 0.000 2.653 1109 M HA 0.278 4.763 4.480 0.009 0.000 0.259 1109 M C 1.511 177.833 176.300 0.037 0.000 1.244 1109 M CA 0.928 56.250 55.300 0.037 0.000 1.163 1109 M CB -0.413 32.197 32.600 0.018 0.000 1.309 1109 M HN 0.924 nan 8.290 nan 0.000 0.509 1110 G N 1.256 110.082 108.800 0.043 0.000 2.199 1110 G HA2 -0.120 3.846 3.960 0.009 0.000 0.254 1110 G HA3 -0.120 3.846 3.960 0.009 0.000 0.254 1110 G C 0.222 175.149 174.900 0.045 0.000 0.982 1110 G CA 0.462 45.589 45.100 0.046 0.000 0.632 1110 G HN 0.886 nan 8.290 nan 0.000 0.529 1111 A N -0.694 122.148 122.820 0.036 0.000 2.586 1111 A HA 0.690 5.016 4.320 0.009 0.000 0.290 1111 A C -0.880 176.714 177.584 0.017 0.000 1.086 1111 A CA 0.418 52.479 52.037 0.040 0.000 0.665 1111 A CB 0.912 19.937 19.000 0.041 0.000 1.279 1111 A HN 1.142 nan 8.150 nan 0.000 0.423 1112 D N -0.431 119.977 120.400 0.012 0.000 2.506 1112 D HA 0.424 5.070 4.640 0.009 0.000 0.254 1112 D C 1.007 177.295 176.300 -0.020 0.000 1.089 1112 D CA -0.716 53.271 54.000 -0.022 0.000 1.050 1112 D CB 0.510 41.280 40.800 -0.051 0.000 1.221 1112 D HN 0.378 nan 8.370 nan 0.000 0.589 1113 L N -0.063 121.133 121.223 -0.044 0.000 2.013 1113 L HA -0.248 4.098 4.340 0.009 0.000 0.212 1113 L C 1.793 178.661 176.870 -0.005 0.000 1.073 1113 L CA 1.794 56.613 54.840 -0.035 0.000 0.753 1113 L CB -0.559 41.462 42.059 -0.063 0.000 0.890 1113 L HN 0.469 nan 8.230 nan 0.000 0.432 1114 N N 0.670 119.366 118.700 -0.008 0.000 2.011 1114 N HA -0.271 4.475 4.740 0.009 0.000 0.199 1114 N C 1.477 177.021 175.510 0.056 0.000 1.047 1114 N CA 2.305 55.371 53.050 0.026 0.000 0.863 1114 N CB -0.361 38.129 38.487 0.004 0.000 1.056 1114 N HN 0.295 nan 8.380 nan 0.000 0.427 1115 N N -0.659 118.080 118.700 0.065 0.000 2.334 1115 N HA -0.073 4.673 4.740 0.009 0.000 0.187 1115 N C 1.333 176.882 175.510 0.066 0.000 1.016 1115 N CA 0.600 53.711 53.050 0.101 0.000 0.879 1115 N CB 0.072 38.625 38.487 0.110 0.000 0.965 1115 N HN 0.316 nan 8.380 nan 0.000 0.438 1116 I N -1.116 119.480 120.570 0.044 0.000 3.708 1116 I HA -0.012 4.163 4.170 0.009 0.000 0.302 1116 I C 1.243 177.384 176.117 0.040 0.000 1.255 1116 I CA 0.380 61.701 61.300 0.035 0.000 1.362 1116 I CB 0.520 38.532 38.000 0.021 0.000 1.100 1116 I HN -0.004 nan 8.210 nan 0.000 0.434 1117 V N 0.589 120.530 119.914 0.044 0.000 3.590 1117 V HA 0.052 4.178 4.120 0.009 0.000 0.265 1117 V C 0.629 176.756 176.094 0.054 0.000 1.239 1117 V CA 0.477 62.807 62.300 0.051 0.000 1.117 1117 V CB 0.030 31.882 31.823 0.049 0.000 0.818 1117 V HN 0.085 nan 8.190 nan 0.000 0.451 1118 K N -0.407 120.027 120.400 0.056 0.000 2.138 1118 K HA 0.379 4.705 4.320 0.009 0.000 0.263 1118 K C -0.356 176.271 176.600 0.046 0.000 0.965 1118 K CA -0.267 56.052 56.287 0.054 0.000 0.868 1118 K CB 1.254 33.792 32.500 0.063 0.000 1.083 1118 K HN 0.217 nan 8.250 nan 0.000 0.443 1119 C N 2.913 122.237 119.300 0.040 0.000 2.679 1119 C HA 0.104 4.570 4.460 0.009 0.000 0.417 1119 C C 0.137 175.150 174.990 0.038 0.000 1.302 1119 C CA -0.016 59.023 59.018 0.036 0.000 1.973 1119 C CB -0.135 27.622 27.740 0.028 0.000 2.715 1119 C HN 0.690 nan 8.230 nan 0.000 0.628 1120 Q N 2.135 121.955 119.800 0.034 0.000 2.333 1120 Q HA 0.382 4.727 4.340 0.009 0.000 0.266 1120 Q C -1.060 174.960 176.000 0.033 0.000 1.053 1120 Q CA -0.504 55.323 55.803 0.039 0.000 0.890 1120 Q CB 1.344 30.105 28.738 0.039 0.000 1.337 1120 Q HN 0.734 nan 8.270 nan 0.000 0.474 1121 K N 1.183 121.608 120.400 0.041 0.000 2.082 1121 K HA -0.029 4.297 4.320 0.009 0.000 1.036 1121 K C -1.716 174.915 176.600 0.052 0.000 0.850 1121 K CA 0.148 56.459 56.287 0.040 0.000 0.933 1121 K CB -1.423 31.090 32.500 0.023 0.000 3.408 1121 K HN 0.661 nan 8.250 nan 0.000 0.125 1122 L N 0.588 121.853 121.223 0.070 0.000 2.358 1122 L HA 0.611 4.957 4.340 0.009 0.000 0.268 1122 L C 1.114 177.997 176.870 0.020 0.000 1.032 1122 L CA -1.115 53.778 54.840 0.089 0.000 0.805 1122 L CB 0.773 42.942 42.059 0.183 0.000 1.253 1122 L HN 0.351 nan 8.230 nan 0.000 0.452 1123 T N -0.115 114.392 114.554 -0.078 0.000 2.902 1123 T HA -0.140 4.215 4.350 0.009 0.000 0.317 1123 T C 0.871 175.506 174.700 -0.108 0.000 1.064 1123 T CA 0.552 62.547 62.100 -0.174 0.000 1.130 1123 T CB 0.269 68.870 68.868 -0.445 0.000 1.073 1123 T HN 0.872 nan 8.240 nan 0.000 0.524 1124 D N 1.019 121.392 120.400 -0.046 0.000 2.149 1124 D HA -0.156 4.489 4.640 0.009 0.000 0.194 1124 D C 1.757 178.062 176.300 0.008 0.000 1.001 1124 D CA 1.630 55.647 54.000 0.029 0.000 0.849 1124 D CB -0.105 40.721 40.800 0.043 0.000 0.939 1124 D HN 0.738 nan 8.370 nan 0.000 0.449 1125 D N -1.539 118.819 120.400 -0.069 0.000 2.149 1125 D HA -0.199 4.447 4.640 0.009 0.000 0.198 1125 D C 1.653 178.035 176.300 0.137 0.000 0.990 1125 D CA 1.267 55.261 54.000 -0.010 0.000 0.839 1125 D CB 0.040 40.777 40.800 -0.105 0.000 0.948 1125 D HN 0.370 nan 8.370 nan 0.000 0.460 1126 H N -0.852 118.296 119.070 0.129 0.000 2.415 1126 H HA 0.086 4.647 4.556 0.009 0.000 0.297 1126 H C 2.410 177.841 175.328 0.172 0.000 1.048 1126 H CA 0.663 56.815 56.048 0.173 0.000 1.365 1126 H CB -0.611 29.234 29.762 0.140 0.000 1.421 1126 H HN 0.093 nan 8.280 nan 0.000 0.533 1127 V N 1.439 121.492 119.914 0.231 0.000 2.252 1127 V HA -0.311 3.814 4.120 0.009 0.000 0.249 1127 V C 2.509 178.752 176.094 0.248 0.000 1.056 1127 V CA 1.972 64.396 62.300 0.207 0.000 1.022 1127 V CB -0.630 31.311 31.823 0.197 0.000 0.641 1127 V HN 0.347 nan 8.190 nan 0.000 0.445 1128 Q N -1.295 118.628 119.800 0.204 0.000 2.096 1128 Q HA -0.282 4.064 4.340 0.009 0.000 0.208 1128 Q C 2.123 178.254 176.000 0.219 0.000 0.993 1128 Q CA 2.591 58.493 55.803 0.166 0.000 0.862 1128 Q CB -0.312 28.402 28.738 -0.039 0.000 0.915 1128 Q HN 0.664 nan 8.270 nan 0.000 0.416 1129 F N 0.338 120.175 119.950 -0.188 0.000 2.128 1129 F HA -0.188 4.344 4.527 0.009 0.000 0.295 1129 F C 1.711 177.429 175.800 -0.136 0.000 1.100 1129 F CA 0.891 58.614 58.000 -0.461 0.000 1.260 1129 F CB -0.355 38.452 39.000 -0.321 0.000 1.009 1129 F HN 0.026 nan 8.300 nan 0.000 0.476 1130 L N 0.569 121.716 121.223 -0.125 0.000 1.989 1130 L HA -0.256 4.089 4.340 0.009 0.000 0.211 1130 L C 2.541 179.315 176.870 -0.161 0.000 1.071 1130 L CA 1.535 56.243 54.840 -0.220 0.000 0.749 1130 L CB -1.639 40.388 42.059 -0.054 0.000 0.890 1130 L HN 0.178 nan 8.230 nan 0.000 0.431 1131 I N -1.361 119.219 120.570 0.017 0.000 2.361 1131 I HA -0.319 3.857 4.170 0.009 0.000 0.251 1131 I C 2.551 178.579 176.117 -0.149 0.000 1.133 1131 I CA 1.191 62.519 61.300 0.046 0.000 1.413 1131 I CB -1.375 36.817 38.000 0.320 0.000 1.073 1131 I HN 0.293 nan 8.210 nan 0.000 0.424 1132 Y N 2.009 122.114 120.300 -0.326 0.000 2.293 1132 Y HA -0.200 4.355 4.550 0.008 0.000 0.291 1132 Y C 2.627 178.287 175.900 -0.400 0.000 1.137 1132 Y CA 1.589 59.307 58.100 -0.637 0.000 1.202 1132 Y CB -0.237 37.923 38.460 -0.500 0.000 0.990 1132 Y HN 0.204 nan 8.280 nan 0.000 0.537 1133 Q N -0.082 119.455 119.800 -0.439 0.000 2.123 1133 Q HA -0.100 4.246 4.340 0.009 0.000 0.199 1133 Q C 2.225 177.986 176.000 -0.398 0.000 0.966 1133 Q CA 1.790 57.316 55.803 -0.461 0.000 0.845 1133 Q CB -0.050 28.421 28.738 -0.445 0.000 0.907 1133 Q HN 0.562 nan 8.270 nan 0.000 0.439 1134 I N 0.358 120.724 120.570 -0.339 0.000 2.252 1134 I HA -0.268 3.907 4.170 0.009 0.000 0.245 1134 I C 1.954 177.886 176.117 -0.308 0.000 1.102 1134 I CA 1.019 62.148 61.300 -0.284 0.000 1.385 1134 I CB -0.136 37.734 38.000 -0.216 0.000 1.064 1134 I HN 0.197 nan 8.210 nan 0.000 0.414 1135 L N 0.195 121.209 121.223 -0.349 0.000 2.275 1135 L HA -0.154 4.192 4.340 0.009 0.000 0.215 1135 L C 2.690 179.342 176.870 -0.362 0.000 1.119 1135 L CA 0.967 55.609 54.840 -0.330 0.000 0.790 1135 L CB -0.484 41.364 42.059 -0.352 0.000 0.919 1135 L HN 0.243 nan 8.230 nan 0.000 0.443 1136 R N 0.185 120.397 120.500 -0.480 0.000 2.062 1136 R HA -0.069 4.277 4.340 0.009 0.000 0.226 1136 R C 2.274 178.417 176.300 -0.261 0.000 1.125 1136 R CA 1.189 57.059 56.100 -0.382 0.000 0.966 1136 R CB -0.317 29.635 30.300 -0.580 0.000 0.861 1136 R HN 0.307 nan 8.270 nan 0.000 0.433 1137 G N 1.010 109.611 108.800 -0.332 0.000 2.422 1137 G HA2 -0.221 3.745 3.960 0.009 0.000 0.218 1137 G HA3 -0.221 3.745 3.960 0.009 0.000 0.218 1137 G C 1.244 175.897 174.900 -0.412 0.000 1.140 1137 G CA 0.269 45.047 45.100 -0.536 0.000 0.775 1137 G HN 0.237 nan 8.290 nan 0.000 0.545 1138 L N 0.620 121.632 121.223 -0.351 0.000 2.141 1138 L HA 0.154 4.499 4.340 0.009 0.000 0.209 1138 L C 2.633 179.263 176.870 -0.401 0.000 1.094 1138 L CA 1.735 56.319 54.840 -0.426 0.000 0.763 1138 L CB -0.411 41.382 42.059 -0.443 0.000 0.908 1138 L HN 0.207 nan 8.230 nan 0.000 0.437 1139 K N -1.609 118.650 120.400 -0.236 0.000 2.032 1139 K HA -0.294 4.032 4.320 0.009 0.000 0.209 1139 K C 2.274 178.857 176.600 -0.028 0.000 1.048 1139 K CA 2.092 58.326 56.287 -0.090 0.000 0.927 1139 K CB -0.445 32.041 32.500 -0.024 0.000 0.712 1139 K HN 0.368 nan 8.250 nan 0.000 0.441 1140 Y N 1.332 121.503 120.300 -0.216 0.000 2.114 1140 Y HA -0.212 4.343 4.550 0.009 0.000 0.284 1140 Y C 1.894 177.730 175.900 -0.107 0.000 1.143 1140 Y CA 1.857 59.857 58.100 -0.166 0.000 1.135 1140 Y CB -0.195 38.019 38.460 -0.410 0.000 0.980 1140 Y HN 0.020 nan 8.280 nan 0.000 0.499 1141 I N -0.454 120.077 120.570 -0.064 0.000 2.142 1141 I HA -0.392 3.784 4.170 0.009 0.000 0.240 1141 I C 2.343 178.469 176.117 0.015 0.000 1.078 1141 I CA 1.965 63.227 61.300 -0.063 0.000 1.343 1141 I CB -0.728 37.242 38.000 -0.051 0.000 1.046 1141 I HN 0.358 nan 8.210 nan 0.000 0.405 1142 H N 0.068 119.108 119.070 -0.050 0.000 2.387 1142 H HA -0.162 4.399 4.556 0.009 0.000 0.299 1142 H C 2.472 177.773 175.328 -0.045 0.000 1.099 1142 H CA 1.364 57.392 56.048 -0.033 0.000 1.315 1142 H CB -0.010 29.743 29.762 -0.015 0.000 1.380 1142 H HN 0.402 nan 8.280 nan 0.000 0.513 1143 S N 0.436 116.170 115.700 0.055 0.000 2.507 1143 S HA 0.003 4.478 4.470 0.009 0.000 0.235 1143 S C 1.922 176.502 174.600 -0.034 0.000 0.988 1143 S CA 0.553 58.752 58.200 -0.001 0.000 0.944 1143 S CB 0.114 63.294 63.200 -0.033 0.000 0.762 1143 S HN 0.420 nan 8.310 nan 0.000 0.526 1144 A N 1.057 123.844 122.820 -0.054 0.000 2.345 1144 A HA 0.291 4.616 4.320 0.009 0.000 0.225 1144 A C 0.389 178.001 177.584 0.047 0.000 1.243 1144 A CA 0.182 52.214 52.037 -0.008 0.000 0.875 1144 A CB -0.224 18.746 19.000 -0.050 0.000 0.929 1144 A HN 0.406 nan 8.150 nan 0.000 0.502 1145 D N -0.870 119.553 120.400 0.037 0.000 2.775 1145 D HA -0.143 4.503 4.640 0.009 0.000 0.235 1145 D C -0.370 175.957 176.300 0.045 0.000 1.120 1145 D CA 1.006 55.024 54.000 0.029 0.000 0.708 1145 D CB -1.429 39.386 40.800 0.026 0.000 1.084 1145 D HN 0.526 nan 8.370 nan 0.000 0.434 1146 I N 0.563 121.170 120.570 0.062 0.000 2.569 1146 I HA 0.412 4.587 4.170 0.009 0.000 0.296 1146 I C 0.498 176.677 176.117 0.103 0.000 1.028 1146 I CA -0.861 60.479 61.300 0.066 0.000 1.082 1146 I CB 2.048 40.069 38.000 0.036 0.000 1.264 1146 I HN -0.144 nan 8.210 nan 0.000 0.429 1147 I N 4.792 125.396 120.570 0.057 0.000 2.362 1147 I HA 0.206 4.382 4.170 0.009 0.000 0.289 1147 I C 0.734 176.903 176.117 0.086 0.000 0.994 1147 I CA -0.443 60.911 61.300 0.090 0.000 1.158 1147 I CB 1.597 39.617 38.000 0.033 0.000 1.315 1147 I HN 0.691 nan 8.210 nan 0.000 0.451 1148 H N 5.787 124.910 119.070 0.089 0.000 2.276 1148 H HA -0.046 4.515 4.556 0.009 0.000 0.301 1148 H C 1.674 176.997 175.328 -0.009 0.000 1.073 1148 H CA 2.348 58.387 56.048 -0.015 0.000 1.311 1148 H CB 0.268 30.011 29.762 -0.032 0.000 1.379 1148 H HN 0.615 nan 8.280 nan 0.000 0.494 1149 R N -1.374 119.266 120.500 0.233 0.000 3.862 1149 R HA -0.218 4.127 4.340 0.009 0.000 0.470 1149 R C -0.295 176.101 176.300 0.159 0.000 0.879 1149 R CA 1.435 57.632 56.100 0.162 0.000 1.508 1149 R CB -1.413 28.945 30.300 0.097 0.000 2.170 1149 R HN 0.527 nan 8.270 nan 0.000 0.496 1150 D N -0.095 120.487 120.400 0.303 0.000 2.620 1150 D HA 0.212 4.858 4.640 0.009 0.000 0.260 1150 D C -0.284 176.121 176.300 0.175 0.000 1.367 1150 D CA -0.217 53.909 54.000 0.209 0.000 0.805 1150 D CB 0.406 41.259 40.800 0.089 0.000 1.096 1150 D HN 0.164 nan 8.370 nan 0.000 0.488 1151 L N 2.102 123.372 121.223 0.078 0.000 2.513 1151 L HA 0.139 4.484 4.340 0.009 0.000 0.272 1151 L C 0.268 177.036 176.870 -0.170 0.000 1.187 1151 L CA 0.772 55.466 54.840 -0.244 0.000 0.895 1151 L CB 0.153 42.075 42.059 -0.229 0.000 1.147 1151 L HN 0.186 nan 8.230 nan 0.000 0.483 1152 K N 3.106 123.328 120.400 -0.298 0.000 2.625 1152 K HA 0.323 4.649 4.320 0.009 0.000 0.284 1152 K C -2.895 173.453 176.600 -0.421 0.000 0.984 1152 K CA -1.413 54.564 56.287 -0.518 0.000 0.865 1152 K CB 1.213 33.447 32.500 -0.443 0.000 1.468 1152 K HN -0.043 nan 8.250 nan 0.000 0.407 1153 P HA -0.279 nan 4.420 nan 0.000 0.217 1153 P C 1.213 178.402 177.300 -0.185 0.000 1.158 1153 P CA 2.462 65.404 63.100 -0.263 0.000 0.887 1153 P CB -0.001 31.579 31.700 -0.200 0.000 0.792 1154 S N -2.476 113.117 115.700 -0.179 0.000 2.555 1154 S HA -0.026 4.449 4.470 0.009 0.000 0.230 1154 S C 1.400 175.934 174.600 -0.110 0.000 0.978 1154 S CA 0.727 58.846 58.200 -0.135 0.000 0.934 1154 S CB -1.198 61.923 63.200 -0.131 0.000 0.766 1154 S HN 0.277 nan 8.310 nan 0.000 0.533 1155 N N 0.483 119.102 118.700 -0.135 0.000 2.280 1155 N HA 0.304 5.050 4.740 0.009 0.000 0.192 1155 N C -0.833 174.598 175.510 -0.132 0.000 1.109 1155 N CA -0.089 52.896 53.050 -0.109 0.000 0.855 1155 N CB 0.216 38.642 38.487 -0.103 0.000 0.974 1155 N HN 0.366 nan 8.380 nan 0.000 0.482 1156 L N 1.123 122.263 121.223 -0.139 0.000 2.287 1156 L HA 0.592 4.937 4.340 0.009 0.000 0.287 1156 L C -0.359 176.458 176.870 -0.089 0.000 1.022 1156 L CA -0.860 53.902 54.840 -0.131 0.000 0.814 1156 L CB 1.635 43.604 42.059 -0.151 0.000 1.217 1156 L HN -0.112 nan 8.230 nan 0.000 0.420 1157 A N 4.369 127.146 122.820 -0.072 0.000 2.253 1157 A HA 0.725 5.050 4.320 0.009 0.000 0.316 1157 A C -0.410 177.144 177.584 -0.051 0.000 1.327 1157 A CA -0.463 51.547 52.037 -0.044 0.000 0.917 1157 A CB 0.724 19.712 19.000 -0.020 0.000 1.162 1157 A HN 0.439 nan 8.150 nan 0.000 0.535 1158 V N 3.638 123.529 119.914 -0.040 0.000 2.555 1158 V HA 0.409 4.535 4.120 0.009 0.000 0.302 1158 V C -0.110 175.976 176.094 -0.013 0.000 1.038 1158 V CA -1.053 61.223 62.300 -0.040 0.000 0.887 1158 V CB 1.458 33.256 31.823 -0.042 0.000 0.991 1158 V HN 1.020 nan 8.190 nan 0.000 0.434 1159 N N 1.987 120.682 118.700 -0.008 0.000 2.478 1159 N HA 0.217 4.963 4.740 0.009 0.000 0.275 1159 N C 0.627 176.148 175.510 0.017 0.000 1.221 1159 N CA -0.865 52.192 53.050 0.010 0.000 0.979 1159 N CB 0.859 39.352 38.487 0.011 0.000 1.202 1159 N HN 0.695 nan 8.380 nan 0.000 0.564 1160 E N -1.414 118.800 120.200 0.023 0.000 2.338 1160 E HA -0.162 4.193 4.350 0.009 0.000 0.197 1160 E C -0.049 176.565 176.600 0.024 0.000 1.007 1160 E CA 0.622 57.035 56.400 0.022 0.000 0.849 1160 E CB -0.027 29.686 29.700 0.022 0.000 0.774 1160 E HN 0.526 nan 8.360 nan 0.000 0.506 1161 D N -0.902 119.519 120.400 0.035 0.000 2.363 1161 D HA -0.025 4.620 4.640 0.009 0.000 0.226 1161 D C 0.135 176.497 176.300 0.103 0.000 1.020 1161 D CA 0.138 54.169 54.000 0.053 0.000 0.892 1161 D CB -0.166 40.668 40.800 0.056 0.000 0.900 1161 D HN 0.205 nan 8.370 nan 0.000 0.531 1162 C N 0.453 119.800 119.300 0.079 0.000 4.392 1162 C HA -0.202 4.264 4.460 0.009 0.000 0.280 1162 C C 0.298 175.330 174.990 0.069 0.000 1.381 1162 C CA -0.068 59.011 59.018 0.103 0.000 1.871 1162 C CB -2.219 25.645 27.740 0.206 0.000 1.323 1162 C HN 0.374 nan 8.230 nan 0.000 0.772 1163 E N -0.231 119.995 120.200 0.043 0.000 2.313 1163 E HA 0.497 4.852 4.350 0.009 0.000 0.276 1163 E C -0.098 176.432 176.600 -0.118 0.000 1.031 1163 E CA -0.057 56.313 56.400 -0.050 0.000 0.857 1163 E CB 0.987 30.690 29.700 0.005 0.000 1.040 1163 E HN 0.558 nan 8.360 nan 0.000 0.408 1164 L N 2.939 124.044 121.223 -0.196 0.000 2.346 1164 L HA 0.467 4.813 4.340 0.009 0.000 0.274 1164 L C -1.150 175.625 176.870 -0.159 0.000 1.007 1164 L CA -0.548 54.184 54.840 -0.181 0.000 0.818 1164 L CB 0.932 42.847 42.059 -0.240 0.000 1.284 1164 L HN 0.385 nan 8.230 nan 0.000 0.424 1165 K N 6.020 126.344 120.400 -0.126 0.000 2.427 1165 K HA 0.500 4.825 4.320 0.009 0.000 0.252 1165 K C -1.187 175.348 176.600 -0.108 0.000 0.931 1165 K CA -0.701 55.521 56.287 -0.108 0.000 0.793 1165 K CB 2.518 34.974 32.500 -0.073 0.000 1.211 1165 K HN 0.542 nan 8.250 nan 0.000 0.426 1166 I N 4.655 125.153 120.570 -0.120 0.000 2.471 1166 I HA 0.074 4.250 4.170 0.009 0.000 0.286 1166 I C -0.108 175.980 176.117 -0.048 0.000 1.079 1166 I CA -0.699 60.528 61.300 -0.123 0.000 1.398 1166 I CB 0.134 38.042 38.000 -0.153 0.000 1.403 1166 I HN 0.331 nan 8.210 nan 0.000 0.530 1167 L N 2.957 124.166 121.223 -0.023 0.000 2.307 1167 L HA 0.521 4.866 4.340 0.009 0.000 0.284 1167 L C -0.044 176.872 176.870 0.077 0.000 1.023 1167 L CA -0.270 54.583 54.840 0.021 0.000 0.810 1167 L CB 0.994 43.063 42.059 0.015 0.000 1.231 1167 L HN 0.358 nan 8.230 nan 0.000 0.423 1168 D N 1.767 122.121 120.400 -0.077 0.000 2.194 1168 D HA 0.100 4.745 4.640 0.009 0.000 0.204 1168 D C -0.578 175.189 176.300 -0.890 0.000 0.964 1168 D CA 1.746 55.414 54.000 -0.554 0.000 0.846 1168 D CB 0.073 40.422 40.800 -0.753 0.000 0.962 1168 D HN 0.437 nan 8.370 nan 0.000 0.490 1169 F N -0.568 119.336 119.950 -0.077 0.000 2.562 1169 F HA 0.650 5.182 4.527 0.009 0.000 0.319 1169 F C 0.562 176.322 175.800 -0.067 0.000 1.154 1169 F CA -1.010 56.929 58.000 -0.102 0.000 0.931 1169 F CB 2.241 41.157 39.000 -0.140 0.000 1.198 1169 F HN -0.191 nan 8.300 nan 0.000 0.444 1173 R N -2.121 118.296 120.500 -0.138 0.000 4.608 1173 R HA 0.414 4.760 4.340 0.009 0.000 0.223 1173 R C -1.418 174.887 176.300 0.010 0.000 0.896 1173 R CA 0.315 56.264 56.100 -0.252 0.000 0.620 1173 R CB 0.392 30.654 30.300 -0.063 0.000 1.980 1173 R HN 1.185 nan 8.270 nan 0.000 0.357 1184 A N 2.432 125.079 122.820 -0.288 0.000 2.730 1184 A HA 0.532 4.858 4.320 0.009 0.000 0.280 1184 A C 0.795 178.019 177.584 -0.600 0.000 1.307 1184 A CA 0.444 51.948 52.037 -0.888 0.000 0.933 1184 A CB 0.421 18.078 19.000 -2.238 0.000 1.431 1184 A HN 1.726 nan 8.150 nan 0.000 0.601 1185 T N 0.371 114.826 114.554 -0.165 0.000 2.850 1185 T HA -0.460 3.896 4.350 0.009 0.000 0.232 1185 T C 1.785 176.505 174.700 0.033 0.000 1.186 1185 T CA 2.347 64.453 62.100 0.011 0.000 1.104 1185 T CB -0.795 68.047 68.868 -0.043 0.000 0.792 1185 T HN 1.037 nan 8.240 nan 0.000 0.505 1186 R N -0.047 120.363 120.500 -0.150 0.000 2.316 1186 R HA -0.028 4.318 4.340 0.009 0.000 0.202 1186 R C 1.689 178.003 176.300 0.022 0.000 1.029 1186 R CA 0.925 56.935 56.100 -0.149 0.000 1.018 1186 R CB -0.362 29.752 30.300 -0.310 0.000 0.888 1186 R HN 0.500 nan 8.270 nan 0.000 0.471 1187 W N 0.206 121.443 121.300 -0.105 0.000 2.584 1187 W HA 0.061 4.726 4.660 0.009 0.000 0.264 1187 W C 0.691 176.963 176.519 -0.412 0.000 1.264 1187 W CA 0.241 57.407 57.345 -0.299 0.000 1.306 1187 W CB -0.434 28.708 29.460 -0.530 0.000 1.110 1187 W HN 0.143 nan 8.180 nan 0.000 0.606 1188 Y N -0.794 119.719 120.300 0.355 0.000 2.444 1188 Y HA 0.258 4.813 4.550 0.009 0.000 0.249 1188 Y C 1.315 177.418 175.900 0.338 0.000 1.134 1188 Y CA -0.362 57.927 58.100 0.315 0.000 1.261 1188 Y CB -0.055 38.520 38.460 0.193 0.000 1.143 1188 Y HN -0.499 nan 8.280 nan 0.000 0.523 1189 R N 1.942 122.614 120.500 0.286 0.000 2.347 1189 R HA 0.361 4.706 4.340 0.009 0.000 0.304 1189 R C 0.257 176.477 176.300 -0.132 0.000 1.072 1189 R CA -0.149 56.002 56.100 0.086 0.000 0.980 1189 R CB 0.695 30.947 30.300 -0.080 0.000 0.986 1189 R HN 0.175 nan 8.270 nan 0.000 0.448 1190 A N 6.208 128.890 122.820 -0.229 0.000 2.565 1190 A HA 0.104 4.429 4.320 0.009 0.000 0.237 1190 A C -1.313 175.831 177.584 -0.735 0.000 1.053 1190 A CA -0.905 50.701 52.037 -0.718 0.000 0.755 1190 A CB 0.052 18.878 19.000 -0.290 0.000 0.980 1190 A HN 0.461 nan 8.150 nan 0.000 0.506 1191 P HA -0.233 nan 4.420 nan 0.000 0.214 1191 P C 1.424 178.360 177.300 -0.607 0.000 1.163 1191 P CA 1.681 64.351 63.100 -0.716 0.000 0.883 1191 P CB -0.022 31.252 31.700 -0.709 0.000 0.788 1192 E N 0.849 120.785 120.200 -0.441 0.000 2.147 1192 E HA -0.209 4.147 4.350 0.009 0.000 0.199 1192 E C 1.425 177.763 176.600 -0.436 0.000 1.005 1192 E CA 1.506 57.752 56.400 -0.256 0.000 0.810 1192 E CB -1.390 28.423 29.700 0.188 0.000 0.736 1192 E HN 0.399 nan 8.360 nan 0.000 0.460 1193 I N -1.748 118.557 120.570 -0.441 0.000 3.826 1193 I HA 0.257 4.432 4.170 0.009 0.000 0.319 1193 I C 1.580 177.485 176.117 -0.353 0.000 1.394 1193 I CA 0.019 61.059 61.300 -0.433 0.000 1.197 1193 I CB -0.269 37.493 38.000 -0.398 0.000 1.096 1193 I HN -0.123 nan 8.210 nan 0.000 0.409 1194 M N 0.728 120.069 119.600 -0.432 0.000 2.625 1194 M HA 0.362 4.847 4.480 0.009 0.000 0.396 1194 M C 0.310 176.350 176.300 -0.433 0.000 1.174 1194 M CA 0.252 55.354 55.300 -0.330 0.000 0.898 1194 M CB 0.929 33.314 32.600 -0.358 0.000 1.450 1194 M HN 0.322 nan 8.290 nan 0.000 0.522 1195 L N -1.051 119.796 121.223 -0.627 0.000 3.410 1195 L HA 0.320 4.665 4.340 0.009 0.000 0.309 1195 L C 0.591 177.076 176.870 -0.642 0.000 1.254 1195 L CA 0.098 54.424 54.840 -0.856 0.000 1.048 1195 L CB 0.262 41.261 42.059 -1.767 0.000 1.442 1195 L HN 0.378 nan 8.230 nan 0.000 0.615 1196 N N -1.678 116.809 118.700 -0.356 0.000 2.961 1196 N HA -0.186 4.559 4.740 0.009 0.000 0.223 1196 N C -0.212 175.331 175.510 0.054 0.000 0.866 1196 N CA 0.638 53.617 53.050 -0.119 0.000 1.030 1196 N CB -0.394 38.071 38.487 -0.036 0.000 1.037 1196 N HN 0.239 nan 8.380 nan 0.000 0.608 1197 W N 1.141 122.368 121.300 -0.121 0.000 2.160 1197 W HA 0.388 5.054 4.660 0.009 0.000 0.352 1197 W C 0.966 177.406 176.519 -0.132 0.000 1.288 1197 W CA 0.339 57.635 57.345 -0.081 0.000 1.279 1197 W CB -0.007 29.400 29.460 -0.089 0.000 1.181 1197 W HN 0.111 nan 8.180 nan 0.000 0.593 1198 M N -0.103 119.751 119.600 0.423 0.000 3.690 1198 M HA -0.041 4.445 4.480 0.009 0.000 0.439 1198 M C -0.356 176.246 176.300 0.503 0.000 1.893 1198 M CA -0.485 55.101 55.300 0.478 0.000 0.849 1198 M CB 0.877 33.738 32.600 0.434 0.000 2.989 1198 M HN 0.488 nan 8.290 nan 0.000 0.486 1199 H N 1.260 120.442 119.070 0.186 0.000 2.550 1199 H HA 0.283 4.844 4.556 0.009 0.000 0.304 1199 H C -0.567 174.752 175.328 -0.015 0.000 1.086 1199 H CA -0.304 55.758 56.048 0.024 0.000 1.089 1199 H CB -0.967 28.786 29.762 -0.014 0.000 1.528 1199 H HN 0.379 nan 8.280 nan 0.000 0.539 1200 Y N -0.141 120.241 120.300 0.138 0.000 2.139 1200 Y HA 0.182 4.738 4.550 0.010 0.000 0.368 1200 Y C 0.244 176.181 175.900 0.062 0.000 1.260 1200 Y CA -0.593 57.550 58.100 0.071 0.000 1.696 1200 Y CB 0.132 38.651 38.460 0.098 0.000 1.439 1200 Y HN 0.286 nan 8.280 nan 0.000 0.707 1201 N N -2.108 116.599 118.700 0.011 0.000 2.774 1201 N HA 0.183 4.928 4.740 0.009 0.000 0.264 1201 N C 0.068 175.566 175.510 -0.020 0.000 1.415 1201 N CA -0.766 52.228 53.050 -0.092 0.000 0.815 1201 N CB 0.948 39.408 38.487 -0.046 0.000 1.514 1201 N HN 0.775 nan 8.380 nan 0.000 0.523 1202 Q N -0.620 119.085 119.800 -0.158 0.000 2.182 1202 Q HA -0.230 4.116 4.340 0.009 0.000 0.213 1202 Q C 1.244 177.173 176.000 -0.119 0.000 1.000 1202 Q CA 3.466 59.064 55.803 -0.342 0.000 0.889 1202 Q CB -0.538 27.817 28.738 -0.638 0.000 0.932 1202 Q HN 0.897 nan 8.270 nan 0.000 0.415 1203 T N -2.049 112.506 114.554 0.002 0.000 3.077 1203 T HA -0.083 4.272 4.350 0.009 0.000 0.269 1203 T C 1.675 176.495 174.700 0.200 0.000 1.146 1203 T CA 0.909 63.082 62.100 0.121 0.000 1.091 1203 T CB -0.586 68.351 68.868 0.116 0.000 0.892 1203 T HN 0.287 nan 8.240 nan 0.000 0.533 1204 V N -0.037 120.002 119.914 0.207 0.000 2.407 1204 V HA -0.122 4.003 4.120 0.009 0.000 0.248 1204 V C 2.119 178.374 176.094 0.268 0.000 1.055 1204 V CA 1.931 64.370 62.300 0.232 0.000 1.049 1204 V CB -0.813 31.141 31.823 0.219 0.000 0.662 1204 V HN 0.275 nan 8.190 nan 0.000 0.455 1205 D N 0.685 121.240 120.400 0.259 0.000 2.218 1205 D HA -0.071 4.574 4.640 0.009 0.000 0.204 1205 D C 2.180 178.609 176.300 0.215 0.000 0.976 1205 D CA 1.373 55.521 54.000 0.246 0.000 0.853 1205 D CB -0.116 40.874 40.800 0.316 0.000 0.939 1205 D HN 0.439 nan 8.370 nan 0.000 0.481 1206 I N 0.166 120.880 120.570 0.240 0.000 2.252 1206 I HA -0.208 3.968 4.170 0.009 0.000 0.245 1206 I C 2.419 178.659 176.117 0.204 0.000 1.102 1206 I CA 0.642 62.054 61.300 0.187 0.000 1.385 1206 I CB -1.071 37.035 38.000 0.177 0.000 1.064 1206 I HN 0.263 nan 8.210 nan 0.000 0.414 1207 W N 2.562 123.927 121.300 0.107 0.000 2.301 1207 W HA -0.311 4.354 4.660 0.009 0.000 0.325 1207 W C 2.658 179.264 176.519 0.147 0.000 1.250 1207 W CA 2.515 59.934 57.345 0.123 0.000 1.261 1207 W CB -0.319 29.205 29.460 0.108 0.000 1.157 1207 W HN 0.169 nan 8.180 nan 0.000 0.473 1208 S N 0.696 116.617 115.700 0.369 0.000 2.370 1208 S HA -0.214 4.261 4.470 0.009 0.000 0.226 1208 S C 1.813 176.494 174.600 0.135 0.000 1.033 1208 S CA 1.758 60.134 58.200 0.293 0.000 1.011 1208 S CB -1.104 62.243 63.200 0.245 0.000 0.852 1208 S HN 0.157 nan 8.310 nan 0.000 0.457 1209 V N 2.098 122.052 119.914 0.066 0.000 2.392 1209 V HA -0.169 3.956 4.120 0.009 0.000 0.249 1209 V C 2.669 178.750 176.094 -0.023 0.000 1.059 1209 V CA 1.946 64.249 62.300 0.004 0.000 1.051 1209 V CB -1.586 30.232 31.823 -0.009 0.000 0.658 1209 V HN 0.618 nan 8.190 nan 0.000 0.455 1210 G N -1.267 107.490 108.800 -0.072 0.000 2.421 1210 G HA2 -0.270 3.696 3.960 0.009 0.000 0.216 1210 G HA3 -0.270 3.696 3.960 0.009 0.000 0.216 1210 G C 1.756 176.557 174.900 -0.165 0.000 1.171 1210 G CA 1.293 46.291 45.100 -0.170 0.000 0.775 1210 G HN 0.537 nan 8.290 nan 0.000 0.543 1211 C N 0.434 119.662 119.300 -0.121 0.000 2.413 1211 C HA 0.003 4.468 4.460 0.009 0.000 0.276 1211 C C 2.860 177.921 174.990 0.118 0.000 1.248 1211 C CA 0.582 59.596 59.018 -0.006 0.000 1.742 1211 C CB -1.012 26.831 27.740 0.171 0.000 2.017 1211 C HN 0.474 nan 8.230 nan 0.000 0.481 1212 I N 0.136 120.807 120.570 0.169 0.000 2.252 1212 I HA -0.277 3.898 4.170 0.009 0.000 0.245 1212 I C 2.683 178.830 176.117 0.050 0.000 1.102 1212 I CA 1.621 63.001 61.300 0.132 0.000 1.385 1212 I CB -0.508 37.508 38.000 0.026 0.000 1.064 1212 I HN 0.368 nan 8.210 nan 0.000 0.414 1213 M N 0.763 120.362 119.600 -0.002 0.000 2.080 1213 M HA -0.263 4.222 4.480 0.009 0.000 0.260 1213 M C 2.491 178.760 176.300 -0.052 0.000 1.068 1213 M CA 2.300 57.581 55.300 -0.031 0.000 1.109 1213 M CB -0.168 32.380 32.600 -0.088 0.000 1.342 1213 M HN 0.314 nan 8.290 nan 0.000 0.405 1214 A N -0.052 122.717 122.820 -0.085 0.000 1.873 1214 A HA -0.285 4.040 4.320 0.009 0.000 0.218 1214 A C 1.955 179.588 177.584 0.081 0.000 1.193 1214 A CA 2.252 54.302 52.037 0.021 0.000 0.629 1214 A CB -1.088 17.958 19.000 0.078 0.000 0.826 1214 A HN 0.717 nan 8.150 nan 0.000 0.447 1215 E N -0.337 119.880 120.200 0.029 0.000 2.153 1215 E HA -0.147 4.209 4.350 0.009 0.000 0.194 1215 E C 1.948 178.571 176.600 0.038 0.000 0.988 1215 E CA 0.963 57.376 56.400 0.022 0.000 0.811 1215 E CB -0.170 29.565 29.700 0.058 0.000 0.746 1215 E HN 0.655 nan 8.360 nan 0.000 0.466 1216 L N 0.317 121.568 121.223 0.048 0.000 2.072 1216 L HA -0.151 4.195 4.340 0.009 0.000 0.205 1216 L C 2.502 179.405 176.870 0.056 0.000 1.079 1216 L CA 0.733 55.606 54.840 0.055 0.000 0.752 1216 L CB -0.331 41.766 42.059 0.063 0.000 0.906 1216 L HN 0.239 nan 8.230 nan 0.000 0.436 1217 L N -1.149 120.107 121.223 0.054 0.000 2.275 1217 L HA -0.123 4.222 4.340 0.009 0.000 0.215 1217 L C 2.180 179.085 176.870 0.057 0.000 1.119 1217 L CA 0.996 55.872 54.840 0.060 0.000 0.790 1217 L CB -0.457 41.632 42.059 0.049 0.000 0.919 1217 L HN 0.180 nan 8.230 nan 0.000 0.443 1218 T N -1.691 112.892 114.554 0.048 0.000 2.969 1218 T HA 0.199 4.555 4.350 0.009 0.000 0.250 1218 T C 1.312 176.000 174.700 -0.021 0.000 1.021 1218 T CA 0.681 62.784 62.100 0.005 0.000 1.003 1218 T CB 0.616 69.472 68.868 -0.020 0.000 1.040 1218 T HN 0.479 nan 8.240 nan 0.000 0.492 1219 G N 2.896 111.694 108.800 -0.004 0.000 2.162 1219 G HA2 -0.253 3.712 3.960 0.009 0.000 0.260 1219 G HA3 -0.253 3.712 3.960 0.009 0.000 0.260 1219 G C 0.158 175.038 174.900 -0.034 0.000 0.976 1219 G CA 0.556 45.651 45.100 -0.008 0.000 0.655 1219 G HN 0.758 nan 8.290 nan 0.000 0.533 1220 R N -0.668 119.795 120.500 -0.062 0.000 2.643 1220 R HA 0.601 4.947 4.340 0.009 0.000 0.269 1220 R C -0.309 175.903 176.300 -0.147 0.000 1.037 1220 R CA 0.063 56.100 56.100 -0.104 0.000 0.894 1220 R CB 0.563 30.785 30.300 -0.130 0.000 1.238 1220 R HN 0.580 nan 8.270 nan 0.000 0.459 1221 T N 2.137 116.576 114.554 -0.192 0.000 2.908 1221 T HA 0.010 4.366 4.350 0.009 0.000 0.301 1221 T C 1.197 175.683 174.700 -0.357 0.000 1.019 1221 T CA -0.395 61.541 62.100 -0.273 0.000 1.152 1221 T CB 0.391 68.979 68.868 -0.467 0.000 0.966 1221 T HN 0.508 nan 8.240 nan 0.000 0.540 1222 L N 4.734 125.720 121.223 -0.394 0.000 2.005 1222 L HA 0.323 4.669 4.340 0.009 0.000 0.207 1222 L C 0.660 177.123 176.870 -0.680 0.000 1.072 1222 L CA 1.709 56.168 54.840 -0.635 0.000 0.744 1222 L CB -0.344 41.235 42.059 -0.800 0.000 0.895 1222 L HN 0.845 nan 8.230 nan 0.000 0.433 1223 F N 0.784 120.579 119.950 -0.259 0.000 2.531 1223 F HA 0.348 4.880 4.527 0.009 0.000 0.333 1223 F C -2.022 173.532 175.800 -0.409 0.000 1.292 1223 F CA -1.563 56.305 58.000 -0.219 0.000 1.184 1223 F CB 0.665 39.637 39.000 -0.046 0.000 1.426 1223 F HN 0.030 nan 8.300 nan 0.000 0.559 1224 P HA 0.125 nan 4.420 nan 0.000 0.220 1224 P C 0.701 177.823 177.300 -0.296 0.000 1.806 1224 P CA 0.261 62.729 63.100 -1.052 0.000 0.976 1224 P CB 0.232 31.385 31.700 -0.912 0.000 1.952 1225 G N 1.376 110.214 108.800 0.064 0.000 2.750 1225 G HA2 0.131 4.096 3.960 0.009 0.000 0.250 1225 G HA3 0.131 4.096 3.960 0.009 0.000 0.250 1225 G C 1.066 176.147 174.900 0.303 0.000 1.230 1225 G CA 0.168 45.374 45.100 0.177 0.000 0.883 1225 G HN 0.352 nan 8.290 nan 0.000 0.573 1226 T N -3.313 111.356 114.554 0.192 0.000 3.001 1226 T HA 0.317 4.672 4.350 0.009 0.000 0.251 1226 T C 0.184 174.975 174.700 0.151 0.000 1.040 1226 T CA 0.784 62.993 62.100 0.182 0.000 0.985 1226 T CB -0.005 68.933 68.868 0.116 0.000 1.011 1226 T HN 0.766 nan 8.240 nan 0.000 0.509 1227 D N -1.115 119.375 120.400 0.151 0.000 2.769 1227 D HA 0.205 4.850 4.640 0.009 0.000 0.309 1227 D C -0.150 176.266 176.300 0.193 0.000 1.315 1227 D CA -0.755 53.354 54.000 0.182 0.000 0.780 1227 D CB -0.025 40.844 40.800 0.115 0.000 1.312 1227 D HN -0.106 nan 8.370 nan 0.000 0.437 1228 H N -0.727 118.314 119.070 -0.047 0.000 2.491 1228 H HA 0.114 4.676 4.556 0.009 0.000 0.290 1228 H C 1.722 176.990 175.328 -0.101 0.000 1.050 1228 H CA 1.625 57.616 56.048 -0.095 0.000 1.309 1228 H CB -0.419 29.255 29.762 -0.148 0.000 1.392 1228 H HN 0.522 nan 8.280 nan 0.000 0.554 1229 I N -1.319 119.288 120.570 0.062 0.000 2.193 1229 I HA -0.083 4.093 4.170 0.009 0.000 0.240 1229 I C 2.090 178.220 176.117 0.022 0.000 1.084 1229 I CA 1.728 63.045 61.300 0.028 0.000 1.365 1229 I CB -0.330 37.707 38.000 0.062 0.000 1.064 1229 I HN -0.098 nan 8.210 nan 0.000 0.410 1230 D N 0.395 120.818 120.400 0.038 0.000 2.116 1230 D HA -0.295 4.351 4.640 0.009 0.000 0.193 1230 D C 2.208 178.517 176.300 0.014 0.000 0.998 1230 D CA 1.829 55.850 54.000 0.036 0.000 0.836 1230 D CB -0.138 40.697 40.800 0.058 0.000 0.951 1230 D HN 0.516 nan 8.370 nan 0.000 0.449 1231 Q N 0.039 119.840 119.800 0.002 0.000 2.045 1231 Q HA -0.137 4.208 4.340 0.009 0.000 0.206 1231 Q C 2.269 178.201 176.000 -0.114 0.000 0.991 1231 Q CA 1.471 57.252 55.803 -0.037 0.000 0.851 1231 Q CB -0.690 27.991 28.738 -0.095 0.000 0.911 1231 Q HN 0.461 nan 8.270 nan 0.000 0.418 1232 L N 0.170 121.311 121.223 -0.137 0.000 2.079 1232 L HA -0.259 4.087 4.340 0.009 0.000 0.210 1232 L C 2.170 178.983 176.870 -0.095 0.000 1.081 1232 L CA 1.716 56.460 54.840 -0.160 0.000 0.752 1232 L CB -0.286 41.682 42.059 -0.150 0.000 0.896 1232 L HN 0.266 nan 8.230 nan 0.000 0.433 1233 K N -0.297 120.079 120.400 -0.039 0.000 2.032 1233 K HA -0.207 4.119 4.320 0.009 0.000 0.209 1233 K C 1.995 178.599 176.600 0.007 0.000 1.048 1233 K CA 1.403 57.688 56.287 -0.003 0.000 0.927 1233 K CB -0.477 32.033 32.500 0.016 0.000 0.712 1233 K HN 0.348 nan 8.250 nan 0.000 0.441 1234 L N 0.913 122.143 121.223 0.012 0.000 2.141 1234 L HA -0.100 4.245 4.340 0.009 0.000 0.209 1234 L C 2.489 179.406 176.870 0.079 0.000 1.094 1234 L CA 0.777 55.672 54.840 0.092 0.000 0.763 1234 L CB -0.400 41.759 42.059 0.166 0.000 0.908 1234 L HN 0.142 nan 8.230 nan 0.000 0.437 1235 I N -0.212 120.228 120.570 -0.217 0.000 2.163 1235 I HA -0.295 3.880 4.170 0.009 0.000 0.240 1235 I C 2.467 178.557 176.117 -0.045 0.000 1.081 1235 I CA 1.265 62.285 61.300 -0.468 0.000 1.353 1235 I CB -0.209 37.462 38.000 -0.550 0.000 1.054 1235 I HN 0.210 nan 8.210 nan 0.000 0.407 1236 L N 0.455 121.662 121.223 -0.027 0.000 2.013 1236 L HA -0.265 4.081 4.340 0.009 0.000 0.212 1236 L C 2.759 179.681 176.870 0.086 0.000 1.073 1236 L CA 1.750 56.613 54.840 0.038 0.000 0.753 1236 L CB -0.863 41.207 42.059 0.018 0.000 0.890 1236 L HN 0.335 nan 8.230 nan 0.000 0.432 1237 R N 0.415 120.966 120.500 0.084 0.000 2.120 1237 R HA -0.208 4.138 4.340 0.009 0.000 0.234 1237 R C 2.237 178.614 176.300 0.129 0.000 1.123 1237 R CA 1.347 57.502 56.100 0.091 0.000 0.975 1237 R CB -0.172 30.170 30.300 0.071 0.000 0.866 1237 R HN 0.262 nan 8.270 nan 0.000 0.446 1238 L N 0.316 121.663 121.223 0.206 0.000 2.071 1238 L HA -0.018 4.328 4.340 0.009 0.000 0.201 1238 L C 2.130 179.166 176.870 0.276 0.000 1.076 1238 L CA 1.586 56.566 54.840 0.235 0.000 0.755 1238 L CB -0.237 42.036 42.059 0.357 0.000 0.915 1238 L HN 0.138 nan 8.230 nan 0.000 0.445 1239 V N -1.692 118.407 119.914 0.308 0.000 3.129 1239 V HA 0.445 4.570 4.120 0.009 0.000 0.259 1239 V C 1.165 177.381 176.094 0.203 0.000 1.116 1239 V CA 0.229 62.715 62.300 0.310 0.000 1.127 1239 V CB -1.701 30.334 31.823 0.353 0.000 0.742 1239 V HN 0.769 nan 8.190 nan 0.000 0.474 1240 G N 0.925 109.819 108.800 0.157 0.000 2.758 1240 G HA2 -0.093 3.872 3.960 0.009 0.000 0.686 1240 G HA3 -0.093 3.872 3.960 0.009 0.000 0.686 1240 G C -0.209 174.746 174.900 0.090 0.000 1.389 1240 G CA -0.334 44.832 45.100 0.110 0.000 0.845 1240 G HN 1.257 nan 8.290 nan 0.000 0.572 1241 T N 0.569 115.165 114.554 0.070 0.000 2.855 1241 T HA 0.532 4.888 4.350 0.009 0.000 0.314 1241 T C -1.577 173.162 174.700 0.065 0.000 1.077 1241 T CA -0.042 62.096 62.100 0.062 0.000 1.095 1241 T CB 1.211 70.110 68.868 0.051 0.000 0.987 1241 T HN 0.749 nan 8.240 nan 0.000 0.546 1242 P HA 0.330 nan 4.420 nan 0.000 0.282 1242 P C 0.479 177.809 177.300 0.051 0.000 1.249 1242 P CA -0.396 62.745 63.100 0.068 0.000 0.806 1242 P CB 0.528 32.277 31.700 0.083 0.000 0.984 1243 G N 1.050 109.877 108.800 0.044 0.000 2.559 1243 G HA2 0.208 4.173 3.960 0.009 0.000 0.235 1243 G HA3 0.208 4.173 3.960 0.009 0.000 0.235 1243 G C 1.281 176.194 174.900 0.022 0.000 1.266 1243 G CA 0.114 45.232 45.100 0.030 0.000 0.847 1243 G HN 0.557 nan 8.290 nan 0.000 0.583 1244 A N 1.009 123.839 122.820 0.016 0.000 1.986 1244 A HA -0.126 4.200 4.320 0.009 0.000 0.220 1244 A C 2.253 179.836 177.584 -0.001 0.000 1.171 1244 A CA 2.073 54.115 52.037 0.009 0.000 0.640 1244 A CB -0.320 18.684 19.000 0.007 0.000 0.811 1244 A HN 0.807 nan 8.150 nan 0.000 0.451 1245 E N 0.306 120.504 120.200 -0.003 0.000 2.017 1245 E HA -0.221 4.134 4.350 0.009 0.000 0.193 1245 E C 2.105 178.689 176.600 -0.026 0.000 0.997 1245 E CA 1.257 57.649 56.400 -0.013 0.000 0.804 1245 E CB -1.047 28.647 29.700 -0.009 0.000 0.757 1245 E HN 0.519 nan 8.360 nan 0.000 0.448 1246 L N 0.831 122.043 121.223 -0.018 0.000 2.051 1246 L HA -0.207 4.139 4.340 0.009 0.000 0.214 1246 L C 2.778 179.613 176.870 -0.058 0.000 1.076 1246 L CA 1.436 56.255 54.840 -0.035 0.000 0.758 1246 L CB -0.429 41.633 42.059 0.005 0.000 0.890 1246 L HN 0.199 nan 8.230 nan 0.000 0.433 1247 L N -0.370 120.840 121.223 -0.021 0.000 2.081 1247 L HA -0.274 4.071 4.340 0.009 0.000 0.212 1247 L C 2.585 179.427 176.870 -0.047 0.000 1.080 1247 L CA 1.312 56.142 54.840 -0.016 0.000 0.754 1247 L CB -0.574 41.489 42.059 0.007 0.000 0.893 1247 L HN 0.269 nan 8.230 nan 0.000 0.433 1248 K N 0.379 120.750 120.400 -0.049 0.000 2.365 1248 K HA -0.076 4.250 4.320 0.009 0.000 0.199 1248 K C 1.714 178.261 176.600 -0.088 0.000 1.045 1248 K CA 0.932 57.187 56.287 -0.054 0.000 0.962 1248 K CB -0.120 32.357 32.500 -0.038 0.000 0.759 1248 K HN 0.359 nan 8.250 nan 0.000 0.469 1249 K N 0.422 120.747 120.400 -0.125 0.000 2.487 1249 K HA 0.161 4.487 4.320 0.009 0.000 0.192 1249 K C 0.372 176.801 176.600 -0.285 0.000 1.027 1249 K CA 0.144 56.322 56.287 -0.181 0.000 1.054 1249 K CB 0.213 32.598 32.500 -0.191 0.000 0.824 1249 K HN 0.040 nan 8.250 nan 0.000 0.510 1250 I N 1.306 121.723 120.570 -0.255 0.000 2.304 1250 I HA -0.019 4.156 4.170 0.009 0.000 0.291 1250 I C 1.370 177.388 176.117 -0.165 0.000 1.018 1250 I CA -0.261 60.836 61.300 -0.339 0.000 1.260 1250 I CB 1.685 39.543 38.000 -0.236 0.000 1.390 1250 I HN 0.032 nan 8.210 nan 0.000 0.475 1251 S N 3.582 119.179 115.700 -0.172 0.000 2.421 1251 S HA -0.061 4.415 4.470 0.009 0.000 0.224 1251 S C 1.275 175.880 174.600 0.009 0.000 1.035 1251 S CA 0.266 58.428 58.200 -0.064 0.000 0.953 1251 S CB 0.058 63.224 63.200 -0.057 0.000 0.810 1251 S HN 0.621 nan 8.310 nan 0.000 0.497 1252 S N 2.019 117.753 115.700 0.056 0.000 2.611 1252 S HA 0.054 4.530 4.470 0.009 0.000 0.317 1252 S C 1.061 175.753 174.600 0.153 0.000 1.208 1252 S CA 0.230 58.526 58.200 0.161 0.000 1.217 1252 S CB 0.337 63.748 63.200 0.352 0.000 1.085 1252 S HN 0.636 nan 8.310 nan 0.000 0.529 1253 E N 4.913 125.177 120.200 0.106 0.000 2.049 1253 E HA -0.167 4.189 4.350 0.009 0.000 0.198 1253 E C 1.962 178.640 176.600 0.131 0.000 1.007 1253 E CA 2.268 58.724 56.400 0.094 0.000 0.809 1253 E CB -0.973 28.765 29.700 0.064 0.000 0.749 1253 E HN 0.666 nan 8.360 nan 0.000 0.450 1254 S N -0.645 115.146 115.700 0.152 0.000 2.383 1254 S HA -0.176 4.299 4.470 0.009 0.000 0.229 1254 S C 2.043 176.846 174.600 0.339 0.000 1.030 1254 S CA 1.640 59.979 58.200 0.232 0.000 1.002 1254 S CB -0.741 62.602 63.200 0.238 0.000 0.829 1254 S HN 0.526 nan 8.310 nan 0.000 0.467 1255 A N 1.770 124.748 122.820 0.263 0.000 1.877 1255 A HA -0.063 4.263 4.320 0.009 0.000 0.216 1255 A C 2.245 180.006 177.584 0.294 0.000 1.186 1255 A CA 1.429 53.627 52.037 0.268 0.000 0.620 1255 A CB -0.662 18.608 19.000 0.451 0.000 0.822 1255 A HN 0.642 nan 8.150 nan 0.000 0.443 1256 R N -0.217 120.433 120.500 0.250 0.000 2.091 1256 R HA -0.134 4.212 4.340 0.009 0.000 0.238 1256 R C 2.142 178.527 176.300 0.142 0.000 1.136 1256 R CA 1.605 57.812 56.100 0.178 0.000 0.959 1256 R CB -0.501 29.866 30.300 0.112 0.000 0.856 1256 R HN 0.651 nan 8.270 nan 0.000 0.437 1257 N N -0.187 118.590 118.700 0.129 0.000 2.058 1257 N HA -0.175 4.571 4.740 0.009 0.000 0.191 1257 N C 1.765 177.305 175.510 0.049 0.000 1.037 1257 N CA 1.352 54.431 53.050 0.049 0.000 0.848 1257 N CB -0.210 38.264 38.487 -0.021 0.000 1.021 1257 N HN 0.173 nan 8.380 nan 0.000 0.422 1258 Y N 2.027 122.339 120.300 0.020 0.000 2.139 1258 Y HA -0.224 4.331 4.550 0.009 0.000 0.282 1258 Y C 2.382 178.284 175.900 0.004 0.000 1.179 1258 Y CA 1.216 59.317 58.100 0.002 0.000 1.161 1258 Y CB -0.259 38.189 38.460 -0.020 0.000 0.970 1258 Y HN 0.139 nan 8.280 nan 0.000 0.511 1259 I N -0.660 120.021 120.570 0.184 0.000 2.133 1259 I HA -0.280 3.895 4.170 0.009 0.000 0.238 1259 I C 2.206 178.370 176.117 0.079 0.000 1.074 1259 I CA 1.255 62.624 61.300 0.115 0.000 1.342 1259 I CB -0.999 37.081 38.000 0.133 0.000 1.053 1259 I HN 0.257 nan 8.210 nan 0.000 0.404 1260 Q N 1.020 120.863 119.800 0.073 0.000 2.308 1260 Q HA -0.142 4.203 4.340 0.009 0.000 0.209 1260 Q C 1.181 177.195 176.000 0.024 0.000 0.985 1260 Q CA 1.333 57.163 55.803 0.045 0.000 0.881 1260 Q CB -0.338 28.424 28.738 0.040 0.000 0.917 1260 Q HN 0.566 nan 8.270 nan 0.000 0.443 1261 S N -0.018 115.691 115.700 0.015 0.000 3.158 1261 S HA 0.566 5.041 4.470 0.009 0.000 0.215 1261 S C -0.062 174.544 174.600 0.010 0.000 1.359 1261 S CA -0.497 57.699 58.200 -0.007 0.000 0.974 1261 S CB 0.067 63.233 63.200 -0.055 0.000 1.336 1261 S HN 0.139 nan 8.310 nan 0.000 0.488 1262 L N 0.526 121.760 121.223 0.018 0.000 2.828 1262 L HA 0.684 5.029 4.340 0.009 0.000 0.264 1262 L C -0.309 176.573 176.870 0.020 0.000 1.106 1262 L CA -1.090 53.764 54.840 0.023 0.000 0.955 1262 L CB 1.483 43.562 42.059 0.034 0.000 1.558 1262 L HN 0.586 nan 8.230 nan 0.000 0.386 1263 A N 0.817 123.650 122.820 0.021 0.000 2.511 1263 A HA 0.134 4.460 4.320 0.009 0.000 0.242 1263 A C 0.077 177.676 177.584 0.026 0.000 1.069 1263 A CA 0.187 52.236 52.037 0.020 0.000 0.763 1263 A CB 0.043 19.055 19.000 0.020 0.000 1.001 1263 A HN 0.625 nan 8.150 nan 0.000 0.498 1264 Q N 3.415 123.229 119.800 0.024 0.000 2.388 1264 Q HA 0.170 4.515 4.340 0.009 0.000 0.246 1264 Q C -0.314 175.706 176.000 0.034 0.000 1.246 1264 Q CA 0.197 56.017 55.803 0.029 0.000 0.895 1264 Q CB -0.207 28.546 28.738 0.025 0.000 1.510 1264 Q HN 0.628 nan 8.270 nan 0.000 0.503 1265 M N 6.398 126.022 119.600 0.041 0.000 2.268 1265 M HA 0.193 4.679 4.480 0.009 0.000 0.349 1265 M C -2.097 174.236 176.300 0.056 0.000 1.485 1265 M CA -1.499 53.831 55.300 0.049 0.000 1.094 1265 M CB 0.102 32.736 32.600 0.056 0.000 1.843 1265 M HN 0.451 nan 8.290 nan 0.000 0.460 1266 P HA 0.168 nan 4.420 nan 0.000 0.279 1266 P C -0.708 176.640 177.300 0.080 0.000 1.239 1266 P CA -0.399 62.736 63.100 0.058 0.000 0.789 1266 P CB 0.679 32.408 31.700 0.047 0.000 0.933 1267 K N 3.986 124.439 120.400 0.088 0.000 2.402 1267 K HA 0.133 4.458 4.320 0.009 0.000 0.285 1267 K C 0.309 176.988 176.600 0.131 0.000 1.054 1267 K CA -0.155 56.206 56.287 0.123 0.000 1.001 1267 K CB -0.192 32.373 32.500 0.108 0.000 0.946 1267 K HN 0.400 nan 8.250 nan 0.000 0.473 1268 M N 3.607 123.305 119.600 0.164 0.000 2.232 1268 M HA -0.014 4.472 4.480 0.009 0.000 0.321 1268 M C -0.030 176.401 176.300 0.218 0.000 1.101 1268 M CA 0.293 55.683 55.300 0.149 0.000 1.181 1268 M CB 0.454 33.120 32.600 0.110 0.000 1.432 1268 M HN 0.561 nan 8.290 nan 0.000 0.457 1269 N N 1.753 120.545 118.700 0.153 0.000 2.482 1269 N HA 0.177 4.923 4.740 0.009 0.000 0.242 1269 N C 0.078 175.724 175.510 0.227 0.000 1.100 1269 N CA 0.134 53.290 53.050 0.176 0.000 0.946 1269 N CB 0.062 38.607 38.487 0.097 0.000 1.227 1269 N HN 0.527 nan 8.380 nan 0.000 0.508 1270 F N 1.650 121.648 119.950 0.079 0.000 2.063 1270 F HA -0.389 4.143 4.527 0.009 0.000 0.298 1270 F C 2.345 178.231 175.800 0.142 0.000 1.105 1270 F CA 1.500 59.593 58.000 0.155 0.000 1.215 1270 F CB -0.033 39.041 39.000 0.123 0.000 0.972 1270 F HN 0.590 nan 8.300 nan 0.000 0.483 1271 A N 0.107 123.095 122.820 0.280 0.000 1.884 1271 A HA -0.302 4.024 4.320 0.009 0.000 0.219 1271 A C 2.039 179.679 177.584 0.092 0.000 1.197 1271 A CA 2.343 54.474 52.037 0.157 0.000 0.637 1271 A CB -1.111 17.953 19.000 0.108 0.000 0.827 1271 A HN 0.515 nan 8.150 nan 0.000 0.450 1272 N N -0.531 118.207 118.700 0.063 0.000 2.188 1272 N HA -0.089 4.657 4.740 0.009 0.000 0.184 1272 N C 1.671 177.142 175.510 -0.065 0.000 1.018 1272 N CA 1.508 54.560 53.050 0.003 0.000 0.858 1272 N CB -0.109 38.377 38.487 0.000 0.000 0.989 1272 N HN 0.287 nan 8.380 nan 0.000 0.426 1273 V N 0.051 119.893 119.914 -0.120 0.000 2.719 1273 V HA -0.037 4.089 4.120 0.009 0.000 0.252 1273 V C 0.134 175.931 176.094 -0.495 0.000 1.065 1273 V CA 1.102 63.189 62.300 -0.357 0.000 1.086 1273 V CB -0.202 31.302 31.823 -0.532 0.000 0.700 1273 V HN 0.118 nan 8.190 nan 0.000 0.467 1274 F N -0.119 119.738 119.950 -0.154 0.000 2.564 1274 F HA 0.504 5.037 4.527 0.010 0.000 0.368 1274 F C 0.380 176.134 175.800 -0.077 0.000 1.127 1274 F CA -0.081 57.830 58.000 -0.148 0.000 1.170 1274 F CB 1.326 40.205 39.000 -0.201 0.000 1.397 1274 F HN -0.119 nan 8.300 nan 0.000 0.493 1275 I N 0.619 121.250 120.570 0.101 0.000 4.161 1275 I HA 0.173 4.349 4.170 0.009 0.000 0.401 1275 I C 0.665 176.786 176.117 0.007 0.000 0.994 1275 I CA 0.986 62.295 61.300 0.015 0.000 1.238 1275 I CB 0.427 38.447 38.000 0.033 0.000 2.804 1275 I HN 0.535 nan 8.210 nan 0.000 0.839 1276 G N 2.484 111.300 108.800 0.028 0.000 2.175 1276 G HA2 0.026 3.992 3.960 0.009 0.000 0.182 1276 G HA3 0.026 3.992 3.960 0.009 0.000 0.182 1276 G C 0.303 175.223 174.900 0.032 0.000 1.003 1276 G CA 0.236 45.350 45.100 0.023 0.000 0.666 1276 G HN 0.945 nan 8.290 nan 0.000 0.506 1277 A N -0.127 122.721 122.820 0.047 0.000 2.240 1277 A HA 0.699 5.025 4.320 0.009 0.000 0.292 1277 A C 0.734 178.345 177.584 0.045 0.000 1.121 1277 A CA 0.128 52.194 52.037 0.047 0.000 0.851 1277 A CB 0.232 19.263 19.000 0.052 0.000 1.167 1277 A HN 0.781 nan 8.150 nan 0.000 0.503 1278 N N 0.496 119.234 118.700 0.063 0.000 2.347 1278 N HA 0.002 4.748 4.740 0.009 0.000 0.278 1278 N C -1.852 173.680 175.510 0.038 0.000 1.367 1278 N CA -1.109 51.991 53.050 0.084 0.000 0.898 1278 N CB 0.416 39.029 38.487 0.209 0.000 1.203 1278 N HN 0.133 nan 8.380 nan 0.000 0.491 1279 P HA -0.183 nan 4.420 nan 0.000 0.218 1279 P C 1.448 178.756 177.300 0.013 0.000 1.146 1279 P CA 1.030 64.145 63.100 0.026 0.000 0.820 1279 P CB 0.273 31.993 31.700 0.034 0.000 0.778 1280 L N -1.444 119.811 121.223 0.052 0.000 2.027 1280 L HA -0.155 4.191 4.340 0.009 0.000 0.206 1280 L C 2.458 179.217 176.870 -0.185 0.000 1.074 1280 L CA 1.599 56.493 54.840 0.091 0.000 0.745 1280 L CB -1.299 40.925 42.059 0.275 0.000 0.898 1280 L HN -0.018 nan 8.230 nan 0.000 0.433 1281 A N 0.006 122.525 122.820 -0.502 0.000 1.917 1281 A HA -0.196 4.129 4.320 0.009 0.000 0.219 1281 A C 2.280 179.527 177.584 -0.561 0.000 1.182 1281 A CA 2.238 53.641 52.037 -1.058 0.000 0.633 1281 A CB -0.886 17.671 19.000 -0.739 0.000 0.819 1281 A HN 0.251 nan 8.150 nan 0.000 0.448 1282 V N 0.206 119.949 119.914 -0.286 0.000 2.379 1282 V HA -0.219 3.907 4.120 0.009 0.000 0.245 1282 V C 2.253 178.305 176.094 -0.071 0.000 1.044 1282 V CA 2.306 64.518 62.300 -0.145 0.000 1.036 1282 V CB -0.882 30.956 31.823 0.025 0.000 0.664 1282 V HN 0.789 nan 8.190 nan 0.000 0.453 1283 D N -0.178 120.175 120.400 -0.077 0.000 2.219 1283 D HA -0.187 4.459 4.640 0.009 0.000 0.205 1283 D C 1.945 178.186 176.300 -0.099 0.000 0.970 1283 D CA 0.961 54.930 54.000 -0.051 0.000 0.851 1283 D CB 0.001 40.823 40.800 0.038 0.000 0.943 1283 D HN 0.309 nan 8.370 nan 0.000 0.488 1284 L N 0.017 121.091 121.223 -0.248 0.000 2.044 1284 L HA 0.040 4.386 4.340 0.009 0.000 0.205 1284 L C 2.054 178.757 176.870 -0.278 0.000 1.075 1284 L CA 1.374 55.953 54.840 -0.436 0.000 0.747 1284 L CB -0.605 41.032 42.059 -0.704 0.000 0.903 1284 L HN 0.161 nan 8.230 nan 0.000 0.435 1285 L N -0.314 120.744 121.223 -0.275 0.000 2.043 1285 L HA -0.272 4.074 4.340 0.009 0.000 0.212 1285 L C 2.583 179.460 176.870 0.012 0.000 1.075 1285 L CA 1.758 56.490 54.840 -0.180 0.000 0.752 1285 L CB -0.509 41.327 42.059 -0.370 0.000 0.891 1285 L HN 0.384 nan 8.230 nan 0.000 0.432 1286 E N 0.174 120.322 120.200 -0.087 0.000 2.130 1286 E HA -0.265 4.091 4.350 0.009 0.000 0.196 1286 E C 2.012 178.465 176.600 -0.245 0.000 0.998 1286 E CA 1.493 57.593 56.400 -0.500 0.000 0.806 1286 E CB 0.108 29.463 29.700 -0.575 0.000 0.738 1286 E HN 0.316 nan 8.360 nan 0.000 0.459 1287 K N -1.022 119.293 120.400 -0.142 0.000 2.361 1287 K HA 0.077 4.403 4.320 0.009 0.000 0.196 1287 K C 1.763 178.348 176.600 -0.024 0.000 1.039 1287 K CA 0.698 56.944 56.287 -0.068 0.000 1.001 1287 K CB 0.200 32.670 32.500 -0.050 0.000 0.795 1287 K HN 0.226 nan 8.250 nan 0.000 0.495 1288 M N 0.054 119.628 119.600 -0.043 0.000 2.545 1288 M HA 0.085 4.570 4.480 0.009 0.000 0.264 1288 M C 0.358 176.657 176.300 -0.001 0.000 1.155 1288 M CA 0.607 55.899 55.300 -0.013 0.000 1.162 1288 M CB 0.460 33.022 32.600 -0.065 0.000 1.330 1288 M HN -0.070 nan 8.290 nan 0.000 0.479 1289 L N 2.026 123.223 121.223 -0.042 0.000 2.449 1289 L HA 0.329 4.674 4.340 0.009 0.000 0.255 1289 L C -0.925 176.075 176.870 0.216 0.000 1.167 1289 L CA -0.632 54.133 54.840 -0.125 0.000 1.090 1289 L CB -0.099 41.815 42.059 -0.241 0.000 1.385 1289 L HN -0.084 nan 8.230 nan 0.000 0.411 1290 V N 1.964 122.089 119.914 0.353 0.000 2.513 1290 V HA 0.174 4.300 4.120 0.009 0.000 0.299 1290 V C 0.987 177.318 176.094 0.396 0.000 1.035 1290 V CA -0.620 61.863 62.300 0.305 0.000 0.889 1290 V CB 2.587 34.515 31.823 0.176 0.000 0.988 1290 V HN 0.449 nan 8.190 nan 0.000 0.440 1291 L N 1.961 123.344 121.223 0.267 0.000 2.083 1291 L HA 0.030 4.376 4.340 0.009 0.000 0.209 1291 L C 1.032 177.977 176.870 0.125 0.000 1.083 1291 L CA 1.583 56.525 54.840 0.169 0.000 0.752 1291 L CB -0.514 41.621 42.059 0.127 0.000 0.899 1291 L HN 0.743 nan 8.230 nan 0.000 0.433 1292 D N -1.786 118.686 120.400 0.120 0.000 2.339 1292 D HA 0.075 4.721 4.640 0.009 0.000 0.241 1292 D C 1.461 177.820 176.300 0.098 0.000 1.183 1292 D CA 0.503 54.554 54.000 0.085 0.000 0.859 1292 D CB 1.047 41.879 40.800 0.052 0.000 1.067 1292 D HN 0.195 nan 8.370 nan 0.000 0.484 1293 S N 2.388 118.147 115.700 0.097 0.000 2.400 1293 S HA -0.237 4.239 4.470 0.009 0.000 0.232 1293 S C 1.341 175.981 174.600 0.066 0.000 1.025 1293 S CA 0.973 59.236 58.200 0.105 0.000 0.993 1293 S CB -0.105 63.165 63.200 0.116 0.000 0.808 1293 S HN 0.422 nan 8.310 nan 0.000 0.478 1294 D N 1.269 121.690 120.400 0.035 0.000 2.265 1294 D HA 0.022 4.668 4.640 0.009 0.000 0.208 1294 D C 1.831 178.145 176.300 0.024 0.000 0.977 1294 D CA 0.982 54.988 54.000 0.010 0.000 0.871 1294 D CB 0.003 40.795 40.800 -0.014 0.000 0.925 1294 D HN 0.365 nan 8.370 nan 0.000 0.485 1295 K N -0.166 120.261 120.400 0.045 0.000 2.374 1295 K HA 0.154 4.480 4.320 0.009 0.000 0.202 1295 K C 0.347 176.984 176.600 0.061 0.000 1.040 1295 K CA -0.266 56.048 56.287 0.045 0.000 1.085 1295 K CB 0.933 33.457 32.500 0.040 0.000 0.873 1295 K HN 0.038 nan 8.250 nan 0.000 0.539 1296 R N 1.673 122.225 120.500 0.086 0.000 2.489 1296 R HA 0.122 4.468 4.340 0.009 0.000 0.287 1296 R C 0.377 176.725 176.300 0.081 0.000 1.053 1296 R CA -0.049 56.114 56.100 0.105 0.000 1.036 1296 R CB 0.320 30.713 30.300 0.154 0.000 0.966 1296 R HN 0.089 nan 8.270 nan 0.000 0.432 1297 I N 2.436 123.048 120.570 0.070 0.000 2.993 1297 I HA -0.049 4.127 4.170 0.009 0.000 0.286 1297 I C 0.475 176.638 176.117 0.077 0.000 1.215 1297 I CA 0.474 61.813 61.300 0.064 0.000 1.393 1297 I CB 0.816 38.848 38.000 0.053 0.000 1.371 1297 I HN 0.741 nan 8.210 nan 0.000 0.602 1298 T N 3.359 117.958 114.554 0.076 0.000 2.944 1298 T HA 0.568 4.924 4.350 0.009 0.000 0.284 1298 T C 0.965 175.719 174.700 0.089 0.000 1.010 1298 T CA -0.233 61.922 62.100 0.090 0.000 1.025 1298 T CB 1.621 70.536 68.868 0.079 0.000 1.079 1298 T HN 0.757 nan 8.240 nan 0.000 0.516 1299 A N 1.619 124.508 122.820 0.114 0.000 1.869 1299 A HA -0.008 4.317 4.320 0.009 0.000 0.218 1299 A C 2.632 180.231 177.584 0.024 0.000 1.203 1299 A CA 2.682 54.747 52.037 0.047 0.000 0.638 1299 A CB -1.679 17.335 19.000 0.023 0.000 0.831 1299 A HN 1.369 nan 8.150 nan 0.000 0.450 1300 A N -1.197 121.654 122.820 0.052 0.000 1.858 1300 A HA -0.230 4.095 4.320 0.009 0.000 0.216 1300 A C 2.130 179.744 177.584 0.050 0.000 1.190 1300 A CA 1.833 53.901 52.037 0.051 0.000 0.617 1300 A CB -0.795 18.247 19.000 0.070 0.000 0.827 1300 A HN 0.672 nan 8.150 nan 0.000 0.443 1301 Q N -0.602 119.236 119.800 0.064 0.000 2.096 1301 Q HA -0.222 4.123 4.340 0.009 0.000 0.208 1301 Q C 2.400 178.455 176.000 0.092 0.000 0.993 1301 Q CA 1.761 57.609 55.803 0.075 0.000 0.862 1301 Q CB -0.479 28.306 28.738 0.077 0.000 0.915 1301 Q HN 0.700 nan 8.270 nan 0.000 0.416 1302 A N 0.753 123.624 122.820 0.084 0.000 1.933 1302 A HA -0.160 4.165 4.320 0.009 0.000 0.218 1302 A C 2.065 179.750 177.584 0.169 0.000 1.175 1302 A CA 1.110 53.219 52.037 0.120 0.000 0.628 1302 A CB -0.667 18.383 19.000 0.084 0.000 0.814 1302 A HN 0.314 nan 8.150 nan 0.000 0.444 1303 L N -0.943 120.297 121.223 0.029 0.000 2.131 1303 L HA -0.172 4.173 4.340 0.009 0.000 0.210 1303 L C 2.618 179.303 176.870 -0.308 0.000 1.092 1303 L CA 0.969 55.770 54.840 -0.066 0.000 0.759 1303 L CB -0.343 41.674 42.059 -0.070 0.000 0.903 1303 L HN 0.438 nan 8.230 nan 0.000 0.435 1304 A N -2.000 120.661 122.820 -0.265 0.000 2.276 1304 A HA -0.050 4.276 4.320 0.009 0.000 0.212 1304 A C 0.670 178.272 177.584 0.030 0.000 1.230 1304 A CA -0.046 51.804 52.037 -0.311 0.000 0.844 1304 A CB -0.794 18.206 19.000 -0.000 0.000 0.860 1304 A HN 0.331 nan 8.150 nan 0.000 0.486 1305 H N -0.529 118.577 119.070 0.060 0.000 2.481 1305 H HA 0.514 5.075 4.556 0.009 0.000 0.339 1305 H C 1.301 176.715 175.328 0.143 0.000 1.131 1305 H CA 0.179 56.301 56.048 0.123 0.000 1.301 1305 H CB 1.591 31.445 29.762 0.153 0.000 1.476 1305 H HN 0.096 nan 8.280 nan 0.000 0.529 1306 A N 4.742 127.395 122.820 -0.278 0.000 1.903 1306 A HA -0.313 4.012 4.320 0.009 0.000 0.219 1306 A C 1.974 179.631 177.584 0.122 0.000 1.191 1306 A CA 1.889 53.875 52.037 -0.085 0.000 0.638 1306 A CB -1.317 17.559 19.000 -0.207 0.000 0.823 1306 A HN 0.856 nan 8.150 nan 0.000 0.451 1307 Y N -0.574 119.809 120.300 0.139 0.000 2.173 1307 Y HA -0.248 4.308 4.550 0.009 0.000 0.282 1307 Y C 1.132 176.859 175.900 -0.288 0.000 1.192 1307 Y CA 1.775 59.778 58.100 -0.163 0.000 1.176 1307 Y CB -0.472 37.713 38.460 -0.458 0.000 0.969 1307 Y HN 0.325 nan 8.280 nan 0.000 0.519 1308 F N -1.070 119.010 119.950 0.216 0.000 2.819 1308 F HA 0.363 4.895 4.527 0.009 0.000 0.294 1308 F C 1.740 177.605 175.800 0.108 0.000 1.166 1308 F CA 0.065 58.145 58.000 0.132 0.000 1.374 1308 F CB -0.457 38.672 39.000 0.214 0.000 0.956 1308 F HN 0.040 nan 8.300 nan 0.000 0.509 1309 A N 0.125 123.038 122.820 0.155 0.000 1.940 1309 A HA -0.256 4.069 4.320 0.009 0.000 0.219 1309 A C 2.046 179.644 177.584 0.023 0.000 1.176 1309 A CA 1.711 53.812 52.037 0.107 0.000 0.631 1309 A CB -0.364 18.657 19.000 0.036 0.000 0.814 1309 A HN 0.473 nan 8.150 nan 0.000 0.446 1310 Q N -2.200 117.550 119.800 -0.082 0.000 2.432 1310 Q HA 0.040 4.386 4.340 0.009 0.000 0.205 1310 Q C 1.201 176.938 176.000 -0.438 0.000 0.945 1310 Q CA 1.132 56.768 55.803 -0.279 0.000 0.924 1310 Q CB -0.180 28.311 28.738 -0.412 0.000 1.016 1310 Q HN 0.866 nan 8.270 nan 0.000 0.503 1311 Y N -1.647 118.566 120.300 -0.145 0.000 2.558 1311 Y HA 0.112 4.667 4.550 0.009 0.000 0.273 1311 Y C 0.725 176.324 175.900 -0.502 0.000 1.100 1311 Y CA -0.423 57.440 58.100 -0.395 0.000 1.276 1311 Y CB 0.252 38.310 38.460 -0.670 0.000 1.196 1311 Y HN 0.097 nan 8.280 nan 0.000 0.527 1312 H N 2.151 121.095 119.070 -0.210 0.000 3.184 1312 H HA 0.127 4.688 4.556 0.009 0.000 0.274 1312 H C -1.109 174.258 175.328 0.064 0.000 0.962 1312 H CA -0.236 55.820 56.048 0.012 0.000 1.441 1312 H CB -0.084 29.776 29.762 0.164 0.000 1.518 1312 H HN 0.143 nan 8.280 nan 0.000 0.539 1313 D N 6.101 126.450 120.400 -0.085 0.000 2.542 1313 D HA 0.248 4.894 4.640 0.009 0.000 0.252 1313 D C -2.270 173.951 176.300 -0.131 0.000 1.222 1313 D CA -2.282 51.586 54.000 -0.220 0.000 0.895 1313 D CB 1.885 42.655 40.800 -0.050 0.000 1.207 1313 D HN 0.269 nan 8.370 nan 0.000 0.558 1314 P HA 0.036 nan 4.420 nan 0.000 0.223 1314 P C -0.278 177.052 177.300 0.050 0.000 1.151 1314 P CA 0.794 63.900 63.100 0.010 0.000 0.787 1314 P CB 0.295 32.000 31.700 0.009 0.000 0.788 1315 D N -1.669 118.739 120.400 0.014 0.000 2.388 1315 D HA 0.039 4.685 4.640 0.009 0.000 0.221 1315 D C 0.249 176.571 176.300 0.036 0.000 1.133 1315 D CA 0.261 54.279 54.000 0.030 0.000 0.831 1315 D CB -0.320 40.488 40.800 0.014 0.000 0.962 1315 D HN 0.028 nan 8.370 nan 0.000 0.502 1316 D N 0.677 121.111 120.400 0.055 0.000 2.819 1316 D HA 0.082 4.727 4.640 0.009 0.000 0.326 1316 D C -0.663 175.689 176.300 0.088 0.000 1.408 1316 D CA -0.175 53.860 54.000 0.058 0.000 0.811 1316 D CB 0.108 40.943 40.800 0.057 0.000 1.148 1316 D HN 0.020 nan 8.370 nan 0.000 0.457 1317 E N 1.134 121.399 120.200 0.109 0.000 3.374 1317 E HA 0.259 4.614 4.350 0.009 0.000 0.223 1317 E C -2.429 174.264 176.600 0.156 0.000 1.210 1317 E CA -1.622 54.862 56.400 0.140 0.000 0.987 1317 E CB 1.465 31.274 29.700 0.182 0.000 1.322 1317 E HN 0.168 nan 8.360 nan 0.000 0.404 1318 P HA 0.030 nan 4.420 nan 0.000 0.272 1318 P C -0.218 177.259 177.300 0.295 0.000 1.240 1318 P CA -0.382 62.834 63.100 0.194 0.000 0.791 1318 P CB 0.747 32.547 31.700 0.167 0.000 0.978 1319 V N -2.642 117.405 119.914 0.222 0.000 3.166 1319 V HA 0.904 5.030 4.120 0.009 0.000 0.317 1319 V C -0.078 176.048 176.094 0.053 0.000 1.136 1319 V CA -1.429 60.955 62.300 0.140 0.000 1.035 1319 V CB 0.986 32.847 31.823 0.062 0.000 1.110 1319 V HN 0.654 nan 8.190 nan 0.000 0.450 1320 A N 0.195 122.859 122.820 -0.261 0.000 2.264 1320 A HA 0.540 4.865 4.320 0.009 0.000 0.304 1320 A C -0.074 177.463 177.584 -0.078 0.000 1.100 1320 A CA -0.603 51.174 52.037 -0.433 0.000 0.839 1320 A CB 0.043 18.501 19.000 -0.905 0.000 1.121 1320 A HN 0.938 nan 8.150 nan 0.000 0.496 1321 D N 1.617 122.022 120.400 0.008 0.000 2.399 1321 D HA 0.259 4.904 4.640 0.009 0.000 0.241 1321 D C -2.162 174.302 176.300 0.274 0.000 1.133 1321 D CA -0.347 53.736 54.000 0.138 0.000 0.890 1321 D CB 0.372 41.264 40.800 0.153 0.000 1.201 1321 D HN 0.297 nan 8.370 nan 0.000 0.432 1322 P HA -0.041 nan 4.420 nan 0.000 0.266 1322 P C -0.883 176.492 177.300 0.125 0.000 1.195 1322 P CA 0.098 63.278 63.100 0.134 0.000 0.768 1322 P CB 0.248 31.997 31.700 0.082 0.000 0.838 1323 Y N 2.044 122.254 120.300 -0.149 0.000 2.341 1323 Y HA 0.323 4.878 4.550 0.008 0.000 0.338 1323 Y C -0.449 175.368 175.900 -0.137 0.000 0.965 1323 Y CA -1.332 56.548 58.100 -0.367 0.000 1.108 1323 Y CB 1.129 39.257 38.460 -0.553 0.000 1.180 1323 Y HN 0.254 nan 8.280 nan 0.000 0.458 1324 D N 4.589 124.728 120.400 -0.435 0.000 2.325 1324 D HA 0.156 4.802 4.640 0.009 0.000 0.251 1324 D C -0.607 175.387 176.300 -0.511 0.000 1.196 1324 D CA 0.021 53.824 54.000 -0.329 0.000 0.866 1324 D CB 0.908 41.621 40.800 -0.146 0.000 1.101 1324 D HN 0.731 nan 8.370 nan 0.000 0.476 1325 Q N 1.860 121.462 119.800 -0.330 0.000 2.155 1325 Q HA 0.138 4.483 4.340 0.009 0.000 0.273 1325 Q C 1.090 176.936 176.000 -0.258 0.000 0.857 1325 Q CA -0.351 55.285 55.803 -0.278 0.000 1.116 1325 Q CB 0.446 29.044 28.738 -0.234 0.000 1.209 1325 Q HN 0.443 nan 8.270 nan 0.000 0.460 1326 S N 0.599 116.248 115.700 -0.085 0.000 2.442 1326 S HA -0.222 4.253 4.470 0.009 0.000 0.236 1326 S C 1.722 176.331 174.600 0.016 0.000 1.007 1326 S CA 0.915 59.091 58.200 -0.040 0.000 0.965 1326 S CB -0.772 62.432 63.200 0.006 0.000 0.773 1326 S HN 0.647 nan 8.310 nan 0.000 0.504 1327 F N 2.255 122.262 119.950 0.095 0.000 2.250 1327 F HA 0.078 4.610 4.527 0.009 0.000 0.301 1327 F C 2.041 177.994 175.800 0.255 0.000 1.077 1327 F CA 1.131 59.268 58.000 0.228 0.000 1.348 1327 F CB -0.693 38.564 39.000 0.428 0.000 1.040 1327 F HN 0.061 nan 8.300 nan 0.000 0.509 1328 E N 1.217 121.041 120.200 -0.628 0.000 2.204 1328 E HA -0.154 4.202 4.350 0.009 0.000 0.195 1328 E C 2.424 178.962 176.600 -0.102 0.000 0.990 1328 E CA 1.400 57.507 56.400 -0.489 0.000 0.821 1328 E CB -0.379 28.997 29.700 -0.540 0.000 0.750 1328 E HN 0.694 nan 8.360 nan 0.000 0.477 1329 S N 0.559 116.228 115.700 -0.053 0.000 2.377 1329 S HA -0.025 4.451 4.470 0.009 0.000 0.223 1329 S C 1.260 175.905 174.600 0.075 0.000 1.030 1329 S CA 0.133 58.333 58.200 0.000 0.000 0.970 1329 S CB -0.216 62.974 63.200 -0.016 0.000 0.830 1329 S HN 0.087 nan 8.310 nan 0.000 0.473 1330 R N 2.205 122.783 120.500 0.130 0.000 2.811 1330 R HA 0.195 4.541 4.340 0.009 0.000 0.265 1330 R C -0.920 175.529 176.300 0.248 0.000 1.026 1330 R CA 0.409 56.594 56.100 0.142 0.000 1.142 1330 R CB -0.024 30.334 30.300 0.097 0.000 1.027 1330 R HN 0.407 nan 8.270 nan 0.000 0.465 1331 D N 2.700 123.194 120.400 0.157 0.000 2.408 1331 D HA 0.252 4.897 4.640 0.009 0.000 0.261 1331 D C -0.046 176.275 176.300 0.034 0.000 1.190 1331 D CA -0.156 53.950 54.000 0.177 0.000 0.910 1331 D CB 0.970 41.833 40.800 0.104 0.000 1.097 1331 D HN 0.223 nan 8.370 nan 0.000 0.522 1332 L N 0.355 121.534 121.223 -0.072 0.000 2.421 1332 L HA 0.578 4.924 4.340 0.009 0.000 0.267 1332 L C 0.271 177.013 176.870 -0.214 0.000 1.036 1332 L CA -1.124 53.470 54.840 -0.411 0.000 0.829 1332 L CB 0.841 42.256 42.059 -1.072 0.000 1.437 1332 L HN -0.011 nan 8.230 nan 0.000 0.488 1333 L N 0.059 121.149 121.223 -0.222 0.000 2.387 1333 L HA 0.345 4.691 4.340 0.009 0.000 0.266 1333 L C 1.304 178.183 176.870 0.015 0.000 1.059 1333 L CA -0.486 54.331 54.840 -0.039 0.000 0.801 1333 L CB 0.955 42.991 42.059 -0.038 0.000 1.223 1333 L HN 0.482 nan 8.230 nan 0.000 0.456 1334 I N 0.101 120.757 120.570 0.143 0.000 2.181 1334 I HA -0.341 3.834 4.170 0.009 0.000 0.247 1334 I C 1.556 177.726 176.117 0.088 0.000 1.081 1334 I CA 1.639 63.061 61.300 0.204 0.000 1.340 1334 I CB -0.261 37.822 38.000 0.138 0.000 1.036 1334 I HN 0.820 nan 8.210 nan 0.000 0.417 1335 D N 0.554 120.946 120.400 -0.013 0.000 2.144 1335 D HA -0.149 4.497 4.640 0.009 0.000 0.199 1335 D C 2.172 178.408 176.300 -0.107 0.000 0.984 1335 D CA 1.083 55.038 54.000 -0.075 0.000 0.834 1335 D CB 0.020 40.772 40.800 -0.080 0.000 0.955 1335 D HN 0.403 nan 8.370 nan 0.000 0.465 1336 E N -0.936 119.166 120.200 -0.163 0.000 2.072 1336 E HA -0.128 4.227 4.350 0.009 0.000 0.190 1336 E C 2.113 178.552 176.600 -0.269 0.000 0.982 1336 E CA 0.551 56.790 56.400 -0.268 0.000 0.803 1336 E CB -0.221 29.235 29.700 -0.406 0.000 0.755 1336 E HN 0.453 nan 8.360 nan 0.000 0.453 1337 W N 1.868 123.099 121.300 -0.115 0.000 2.342 1337 W HA -0.167 4.499 4.660 0.009 0.000 0.297 1337 W C 2.494 178.972 176.519 -0.069 0.000 1.213 1337 W CA 0.714 57.980 57.345 -0.133 0.000 1.251 1337 W CB 0.036 29.498 29.460 0.003 0.000 1.136 1337 W HN 0.015 nan 8.180 nan 0.000 0.526 1338 K N 0.452 120.903 120.400 0.086 0.000 2.057 1338 K HA -0.190 4.136 4.320 0.009 0.000 0.206 1338 K C 2.354 178.948 176.600 -0.010 0.000 1.050 1338 K CA 1.727 57.863 56.287 -0.252 0.000 0.935 1338 K CB -0.434 31.732 32.500 -0.556 0.000 0.715 1338 K HN 0.066 nan 8.250 nan 0.000 0.439 1339 S N 0.290 115.979 115.700 -0.017 0.000 2.406 1339 S HA -0.068 4.407 4.470 0.009 0.000 0.228 1339 S C 1.965 176.624 174.600 0.099 0.000 1.020 1339 S CA 0.336 58.552 58.200 0.027 0.000 0.965 1339 S CB -0.163 63.007 63.200 -0.050 0.000 0.798 1339 S HN 0.202 nan 8.310 nan 0.000 0.488 1340 L N 2.207 123.457 121.223 0.044 0.000 1.970 1340 L HA -0.058 4.288 4.340 0.009 0.000 0.212 1340 L C 2.844 179.894 176.870 0.301 0.000 1.071 1340 L CA 2.275 57.149 54.840 0.058 0.000 0.751 1340 L CB -2.071 39.812 42.059 -0.292 0.000 0.889 1340 L HN 0.366 nan 8.230 nan 0.000 0.432 1341 T N -1.459 113.357 114.554 0.437 0.000 2.665 1341 T HA -0.296 4.060 4.350 0.009 0.000 0.268 1341 T C 1.770 176.708 174.700 0.396 0.000 1.035 1341 T CA 1.878 64.318 62.100 0.567 0.000 1.151 1341 T CB -0.559 68.764 68.868 0.758 0.000 0.862 1341 T HN 0.333 nan 8.240 nan 0.000 0.438 1342 Y N 2.232 122.624 120.300 0.153 0.000 2.128 1342 Y HA -0.207 4.348 4.550 0.009 0.000 0.284 1342 Y C 2.080 177.891 175.900 -0.148 0.000 1.154 1342 Y CA 1.643 59.530 58.100 -0.355 0.000 1.149 1342 Y CB -0.519 37.577 38.460 -0.608 0.000 0.976 1342 Y HN 0.141 nan 8.280 nan 0.000 0.505 1343 D N 0.045 120.473 120.400 0.047 0.000 2.158 1343 D HA -0.179 4.466 4.640 0.009 0.000 0.197 1343 D C 1.981 178.274 176.300 -0.011 0.000 0.995 1343 D CA 1.637 55.640 54.000 0.005 0.000 0.846 1343 D CB -0.151 40.701 40.800 0.086 0.000 0.941 1343 D HN 0.476 nan 8.370 nan 0.000 0.456 1344 E N -0.034 120.202 120.200 0.060 0.000 2.216 1344 E HA -0.034 4.321 4.350 0.009 0.000 0.192 1344 E C 2.377 179.014 176.600 0.062 0.000 0.988 1344 E CA 0.106 56.557 56.400 0.085 0.000 0.834 1344 E CB 0.010 29.776 29.700 0.109 0.000 0.772 1344 E HN 0.183 nan 8.360 nan 0.000 0.479 1345 V N 1.688 121.591 119.914 -0.018 0.000 2.270 1345 V HA -0.230 3.896 4.120 0.009 0.000 0.245 1345 V C 2.332 178.387 176.094 -0.066 0.000 1.043 1345 V CA 1.136 63.411 62.300 -0.043 0.000 1.014 1345 V CB -0.381 31.370 31.823 -0.120 0.000 0.645 1345 V HN 0.162 nan 8.190 nan 0.000 0.447 1346 I N 1.401 121.818 120.570 -0.256 0.000 2.118 1346 I HA -0.223 3.952 4.170 0.009 0.000 0.241 1346 I C 2.637 178.733 176.117 -0.036 0.000 1.070 1346 I CA 2.403 63.581 61.300 -0.203 0.000 1.327 1346 I CB -1.410 36.407 38.000 -0.305 0.000 1.034 1346 I HN 0.540 nan 8.210 nan 0.000 0.405 1347 S N -0.060 115.640 115.700 -0.000 0.000 2.607 1347 S HA -0.072 4.404 4.470 0.009 0.000 0.224 1347 S C 0.884 175.534 174.600 0.083 0.000 0.969 1347 S CA -0.435 57.786 58.200 0.036 0.000 0.927 1347 S CB -1.037 62.186 63.200 0.039 0.000 0.772 1347 S HN 0.202 nan 8.310 nan 0.000 0.533 1348 F N 2.546 122.497 119.950 0.002 0.000 2.602 1348 F HA 0.432 4.965 4.527 0.009 0.000 0.367 1348 F C -0.358 175.461 175.800 0.032 0.000 1.126 1348 F CA -0.275 57.741 58.000 0.026 0.000 1.321 1348 F CB 0.624 39.646 39.000 0.038 0.000 1.094 1348 F HN -0.055 nan 8.300 nan 0.000 0.594 1349 V N 7.985 127.291 119.914 -1.013 0.000 2.531 1349 V HA 0.370 4.496 4.120 0.009 0.000 0.301 1349 V C -2.002 173.377 176.094 -1.191 0.000 1.034 1349 V CA -1.587 60.203 62.300 -0.850 0.000 0.865 1349 V CB 1.778 33.385 31.823 -0.360 0.000 0.995 1349 V HN 0.741 nan 8.190 nan 0.000 0.424 1350 P HA 0.327 nan 4.420 nan 0.000 0.274 1350 P C -2.627 174.592 177.300 -0.135 0.000 1.231 1350 P CA -1.246 61.660 63.100 -0.324 0.000 0.790 1350 P CB 0.139 31.839 31.700 -0.000 0.000 0.951 1351 P HA 0.228 nan 4.420 nan 0.000 0.272 1351 P C -2.360 174.959 177.300 0.032 0.000 1.240 1351 P CA -1.125 61.999 63.100 0.041 0.000 0.791 1351 P CB -1.160 30.601 31.700 0.103 0.000 0.978 1352 P HA 0.292 nan 4.420 nan 0.000 0.270 1352 P C -1.088 176.237 177.300 0.040 0.000 1.551 1352 P CA -0.818 62.297 63.100 0.024 0.000 1.049 1352 P CB 0.524 32.231 31.700 0.012 0.000 1.397 1353 L N 0.000 121.253 121.223 0.050 0.000 2.949 1353 L HA 0.000 4.346 4.340 0.009 0.000 0.249 1353 L CA 0.000 54.879 54.840 0.064 0.000 0.813 1353 L CB 0.000 42.084 42.059 0.041 0.000 0.961 1353 L HN 0.000 nan 8.230 nan 0.000 0.502