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 2asd_1_B DATA FIRST_RESID 1001 DATA SEQUENCE GIVLFVDFDY FYAQVEEVLN PSLKGKPVVV CVFSGRFEDS GAVATANYEA DATA SEQUENCE RKFGVKAGIP IVEAKKILPN AVYLPMRKEV YQQVSSRIMN LLREYSEKIE DATA SEQUENCE IASIDEAYLD ISDKVRDYRE AYNLGLEIKN KILEKEKITV TVGISKNKVF DATA SEQUENCE AKIAADMAKP NGIKVIDDEE VKRLIRELDI ADVPGIGNIT AEKLKKLGIN DATA SEQUENCE KLVDTLSIEF DKLKGMIGEA KAKYLISLAR DEYNEPIRTR VRKSIGRIVT DATA SEQUENCE MKRNSRNLEE IKPYLFRAIE ESYYKLDKRI PKAIHVVAVT EDLDIVSRGR DATA SEQUENCE TFPHGISKET AYSESVKLLQ KILEEDERKI RRIGVRFSKF I VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 G HA2 0.000 nan 3.960 nan 0.000 0.244 1001 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 1001 G C 0.000 174.918 174.900 0.030 0.000 0.946 1001 G CA 0.000 45.109 45.100 0.015 0.000 0.502 1002 I N 2.387 122.986 120.570 0.048 0.000 2.466 1002 I HA 0.516 4.687 4.170 0.001 0.000 0.289 1002 I C -0.309 175.905 176.117 0.162 0.000 1.026 1002 I CA -1.138 60.225 61.300 0.107 0.000 1.078 1002 I CB 1.562 39.583 38.000 0.036 0.000 1.249 1002 I HN 0.199 nan 8.210 nan 0.000 0.429 1003 V N 6.934 126.985 119.914 0.228 0.000 2.495 1003 V HA 0.492 4.613 4.120 0.001 0.000 0.298 1003 V C -0.319 175.930 176.094 0.258 0.000 1.031 1003 V CA -0.696 61.748 62.300 0.241 0.000 0.871 1003 V CB 2.842 34.825 31.823 0.268 0.000 0.988 1003 V HN 0.560 nan 8.190 nan 0.000 0.432 1004 L N 5.357 126.721 121.223 0.236 0.000 2.319 1004 L HA 0.646 4.986 4.340 0.001 0.000 0.281 1004 L C -1.290 175.698 176.870 0.197 0.000 1.005 1004 L CA -0.426 54.527 54.840 0.188 0.000 0.828 1004 L CB 1.171 43.297 42.059 0.112 0.000 1.227 1004 L HN 0.641 nan 8.230 nan 0.000 0.415 1005 F N 5.835 125.781 119.950 -0.006 0.000 2.436 1005 F HA 0.688 5.216 4.527 0.001 0.000 0.340 1005 F C -1.031 174.672 175.800 -0.162 0.000 1.113 1005 F CA -0.565 57.330 58.000 -0.176 0.000 1.022 1005 F CB 1.556 40.422 39.000 -0.223 0.000 1.128 1005 F HN 0.105 nan 8.300 nan 0.000 0.466 1006 V N 5.348 124.718 119.914 -0.907 0.000 2.540 1006 V HA 0.372 4.493 4.120 0.001 0.000 0.302 1006 V C -1.205 174.262 176.094 -1.045 0.000 1.035 1006 V CA -0.696 61.198 62.300 -0.677 0.000 0.873 1006 V CB 1.640 33.294 31.823 -0.281 0.000 0.992 1006 V HN 0.699 nan 8.190 nan 0.000 0.428 1007 D N 3.833 123.828 120.400 -0.674 0.000 2.575 1007 D HA 0.376 5.017 4.640 0.001 0.000 0.250 1007 D C -0.872 175.331 176.300 -0.162 0.000 1.279 1007 D CA -0.400 53.257 54.000 -0.572 0.000 0.925 1007 D CB 1.204 41.782 40.800 -0.371 0.000 1.261 1007 D HN 0.139 nan 8.370 nan 0.000 0.567 1008 F N 1.624 121.400 119.950 -0.290 0.000 2.484 1008 F HA 0.202 4.730 4.527 0.001 0.000 0.360 1008 F C 1.317 177.083 175.800 -0.057 0.000 1.101 1008 F CA -0.611 57.262 58.000 -0.213 0.000 1.251 1008 F CB 0.208 38.967 39.000 -0.403 0.000 1.132 1008 F HN 0.139 nan 8.300 nan 0.000 0.570 1009 D N 2.304 122.814 120.400 0.184 0.000 2.350 1009 D HA 0.042 4.683 4.640 0.001 0.000 0.249 1009 D C 0.338 176.712 176.300 0.124 0.000 1.119 1009 D CA -0.054 54.084 54.000 0.231 0.000 0.886 1009 D CB 0.285 41.248 40.800 0.272 0.000 1.195 1009 D HN 0.649 nan 8.370 nan 0.000 0.437 1010 Y N -0.027 120.428 120.300 0.259 0.000 2.952 1010 Y HA -0.353 4.198 4.550 0.001 0.000 0.219 1010 Y C 0.727 176.706 175.900 0.132 0.000 1.085 1010 Y CA -0.407 57.776 58.100 0.139 0.000 0.872 1010 Y CB -2.164 36.371 38.460 0.126 0.000 1.114 1010 Y HN 0.299 nan 8.280 nan 0.000 0.482 1011 F N 1.604 121.503 119.950 -0.084 0.000 2.025 1011 F HA -0.278 4.250 4.527 0.001 0.000 0.297 1011 F C 2.120 177.876 175.800 -0.073 0.000 1.132 1011 F CA 1.890 59.849 58.000 -0.069 0.000 1.191 1011 F CB -0.753 38.298 39.000 0.086 0.000 0.963 1011 F HN 0.344 nan 8.300 nan 0.000 0.481 1012 Y N 0.430 120.393 120.300 -0.561 0.000 2.165 1012 Y HA -0.110 4.441 4.550 0.001 0.000 0.286 1012 Y C 2.703 178.189 175.900 -0.691 0.000 1.155 1012 Y CA 0.740 58.166 58.100 -1.122 0.000 1.164 1012 Y CB -1.854 35.999 38.460 -1.011 0.000 0.978 1012 Y HN 0.191 nan 8.280 nan 0.000 0.513 1013 A N -0.307 122.435 122.820 -0.130 0.000 1.930 1013 A HA -0.231 4.090 4.320 0.001 0.000 0.217 1013 A C 2.303 179.896 177.584 0.016 0.000 1.175 1013 A CA 1.634 53.686 52.037 0.025 0.000 0.627 1013 A CB -0.768 18.349 19.000 0.195 0.000 0.815 1013 A HN 0.514 nan 8.150 nan 0.000 0.443 1014 Q N -0.289 119.383 119.800 -0.212 0.000 2.119 1014 Q HA -0.110 4.230 4.340 0.001 0.000 0.201 1014 Q C 1.939 177.824 176.000 -0.192 0.000 0.972 1014 Q CA 1.682 57.267 55.803 -0.364 0.000 0.847 1014 Q CB -0.167 28.060 28.738 -0.852 0.000 0.903 1014 Q HN 0.426 nan 8.270 nan 0.000 0.433 1015 V N 1.469 121.222 119.914 -0.268 0.000 2.343 1015 V HA -0.242 3.879 4.120 0.001 0.000 0.247 1015 V C 2.184 178.256 176.094 -0.036 0.000 1.051 1015 V CA 1.875 64.072 62.300 -0.171 0.000 1.036 1015 V CB -0.508 31.170 31.823 -0.243 0.000 0.654 1015 V HN 0.377 nan 8.190 nan 0.000 0.451 1016 E N 0.049 120.245 120.200 -0.007 0.000 2.110 1016 E HA -0.218 4.132 4.350 0.001 0.000 0.193 1016 E C 2.187 178.813 176.600 0.042 0.000 0.988 1016 E CA 1.166 57.599 56.400 0.055 0.000 0.804 1016 E CB -0.194 29.553 29.700 0.079 0.000 0.745 1016 E HN 0.710 nan 8.360 nan 0.000 0.458 1017 E N 0.421 120.648 120.200 0.044 0.000 2.150 1017 E HA -0.099 4.252 4.350 0.001 0.000 0.193 1017 E C 2.235 178.859 176.600 0.039 0.000 0.985 1017 E CA 0.733 57.170 56.400 0.061 0.000 0.814 1017 E CB 0.092 29.861 29.700 0.114 0.000 0.752 1017 E HN 0.040 nan 8.360 nan 0.000 0.466 1018 V N 1.116 121.040 119.914 0.017 0.000 2.358 1018 V HA -0.224 3.897 4.120 0.001 0.000 0.246 1018 V C 2.125 178.227 176.094 0.013 0.000 1.047 1018 V CA 1.275 63.581 62.300 0.009 0.000 1.035 1018 V CB -0.240 31.578 31.823 -0.008 0.000 0.658 1018 V HN 0.187 nan 8.190 nan 0.000 0.452 1019 L N 0.040 121.272 121.223 0.015 0.000 2.291 1019 L HA 0.105 4.446 4.340 0.001 0.000 0.214 1019 L C 0.996 177.877 176.870 0.019 0.000 1.120 1019 L CA 1.316 56.165 54.840 0.015 0.000 0.799 1019 L CB -0.459 41.610 42.059 0.016 0.000 0.925 1019 L HN 0.396 nan 8.230 nan 0.000 0.446 1020 N N -1.237 117.478 118.700 0.026 0.000 2.675 1020 N HA 0.221 4.962 4.740 0.001 0.000 0.254 1020 N C -2.285 173.243 175.510 0.030 0.000 1.224 1020 N CA -1.608 51.458 53.050 0.026 0.000 0.777 1020 N CB 1.257 39.761 38.487 0.029 0.000 1.256 1020 N HN -0.208 nan 8.380 nan 0.000 0.531 1021 P HA -0.078 nan 4.420 nan 0.000 0.228 1021 P C 1.096 178.414 177.300 0.030 0.000 1.151 1021 P CA 0.874 63.992 63.100 0.031 0.000 0.770 1021 P CB 0.191 31.906 31.700 0.025 0.000 0.786 1022 S N -1.091 114.624 115.700 0.026 0.000 2.507 1022 S HA -0.067 4.404 4.470 0.001 0.000 0.235 1022 S C 1.677 176.293 174.600 0.026 0.000 0.988 1022 S CA 0.709 58.923 58.200 0.023 0.000 0.944 1022 S CB -1.422 61.791 63.200 0.020 0.000 0.762 1022 S HN 0.138 nan 8.310 nan 0.000 0.526 1023 L N 0.226 121.468 121.223 0.032 0.000 2.313 1023 L HA 0.136 4.477 4.340 0.001 0.000 0.214 1023 L C 1.005 177.898 176.870 0.039 0.000 1.119 1023 L CA 0.460 55.320 54.840 0.034 0.000 0.809 1023 L CB -0.395 41.690 42.059 0.044 0.000 0.933 1023 L HN 0.170 nan 8.230 nan 0.000 0.449 1024 K N 0.580 121.007 120.400 0.045 0.000 2.448 1024 K HA 0.178 4.499 4.320 0.001 0.000 0.278 1024 K C 1.154 177.773 176.600 0.032 0.000 1.009 1024 K CA 0.702 57.018 56.287 0.048 0.000 0.995 1024 K CB 0.334 32.864 32.500 0.050 0.000 0.917 1024 K HN 0.216 nan 8.250 nan 0.000 0.481 1025 G N 2.056 110.872 108.800 0.027 0.000 2.184 1025 G HA2 -0.303 3.658 3.960 0.001 0.000 0.264 1025 G HA3 -0.303 3.658 3.960 0.001 0.000 0.264 1025 G C -0.225 174.687 174.900 0.020 0.000 0.975 1025 G CA 0.293 45.406 45.100 0.021 0.000 0.642 1025 G HN 0.532 nan 8.290 nan 0.000 0.536 1026 K N 0.776 121.184 120.400 0.014 0.000 2.221 1026 K HA 0.556 4.877 4.320 0.001 0.000 0.243 1026 K C -2.757 173.836 176.600 -0.012 0.000 0.968 1026 K CA -2.197 54.090 56.287 0.001 0.000 0.846 1026 K CB 2.332 34.828 32.500 -0.006 0.000 1.141 1026 K HN -0.043 nan 8.250 nan 0.000 0.434 1027 P HA 0.098 nan 4.420 nan 0.000 0.276 1027 P C -0.866 176.362 177.300 -0.121 0.000 1.243 1027 P CA -0.270 62.792 63.100 -0.064 0.000 0.768 1027 P CB 0.691 32.331 31.700 -0.100 0.000 0.856 1028 V N 4.906 124.754 119.914 -0.111 0.000 2.531 1028 V HA 0.350 4.470 4.120 0.001 0.000 0.301 1028 V C -0.028 175.974 176.094 -0.154 0.000 1.034 1028 V CA -0.710 61.516 62.300 -0.123 0.000 0.865 1028 V CB 2.409 34.216 31.823 -0.026 0.000 0.995 1028 V HN 0.225 nan 8.190 nan 0.000 0.424 1029 V N 5.279 125.045 119.914 -0.247 0.000 2.407 1029 V HA 0.429 4.549 4.120 0.001 0.000 0.291 1029 V C -0.188 175.877 176.094 -0.048 0.000 1.018 1029 V CA -0.684 61.503 62.300 -0.189 0.000 0.842 1029 V CB 1.851 33.462 31.823 -0.353 0.000 0.996 1029 V HN 0.597 nan 8.190 nan 0.000 0.426 1030 V N 4.010 123.933 119.914 0.014 0.000 2.432 1030 V HA 0.370 4.490 4.120 0.001 0.000 0.275 1030 V C 0.115 176.247 176.094 0.063 0.000 1.043 1030 V CA -0.142 62.209 62.300 0.085 0.000 0.925 1030 V CB 1.184 33.081 31.823 0.125 0.000 0.985 1030 V HN 1.004 nan 8.190 nan 0.000 0.466 1031 C N 4.380 123.698 119.300 0.029 0.000 2.561 1031 C HA 0.650 5.110 4.460 0.001 0.000 0.319 1031 C C 0.103 174.972 174.990 -0.202 0.000 1.198 1031 C CA -0.844 58.060 59.018 -0.190 0.000 1.665 1031 C CB 1.709 29.116 27.740 -0.555 0.000 2.258 1031 C HN 0.607 nan 8.230 nan 0.000 0.493 1032 V N 2.907 122.698 119.914 -0.204 0.000 2.304 1032 V HA 0.295 4.416 4.120 0.001 0.000 0.269 1032 V C -0.592 175.411 176.094 -0.151 0.000 1.036 1032 V CA -0.085 62.172 62.300 -0.072 0.000 0.840 1032 V CB -0.236 31.599 31.823 0.021 0.000 1.036 1032 V HN 0.675 nan 8.190 nan 0.000 0.466 1033 F N 3.215 123.214 119.950 0.082 0.000 2.444 1033 F HA 0.215 4.743 4.527 0.001 0.000 0.360 1033 F C 1.762 177.597 175.800 0.058 0.000 1.106 1033 F CA -0.060 57.981 58.000 0.068 0.000 1.170 1033 F CB 1.564 40.602 39.000 0.062 0.000 1.113 1033 F HN 0.595 nan 8.300 nan 0.000 0.521 1034 S N 1.466 117.284 115.700 0.196 0.000 2.489 1034 S HA 0.162 4.633 4.470 0.001 0.000 0.228 1034 S C 1.813 176.479 174.600 0.110 0.000 0.995 1034 S CA 0.436 58.710 58.200 0.123 0.000 0.934 1034 S CB -0.266 62.981 63.200 0.079 0.000 0.771 1034 S HN 1.191 nan 8.310 nan 0.000 0.522 1035 G N 1.684 110.566 108.800 0.137 0.000 2.176 1035 G HA2 -0.357 3.603 3.960 0.001 0.000 0.253 1035 G HA3 -0.357 3.603 3.960 0.001 0.000 0.253 1035 G C 0.857 175.757 174.900 0.001 0.000 0.979 1035 G CA 0.482 45.627 45.100 0.076 0.000 0.641 1035 G HN 0.589 nan 8.290 nan 0.000 0.530 1036 R N -0.520 119.958 120.500 -0.037 0.000 2.064 1036 R HA 0.291 4.631 4.340 0.001 0.000 0.228 1036 R C 0.884 176.908 176.300 -0.460 0.000 1.144 1036 R CA 1.364 57.312 56.100 -0.254 0.000 0.932 1036 R CB -0.091 30.054 30.300 -0.258 0.000 0.833 1036 R HN 0.357 nan 8.270 nan 0.000 0.429 1037 F N -0.468 119.511 119.950 0.048 0.000 2.572 1037 F HA 0.251 4.779 4.527 0.001 0.000 0.342 1037 F C 1.568 177.399 175.800 0.052 0.000 1.064 1037 F CA -0.832 57.192 58.000 0.039 0.000 1.008 1037 F CB 0.901 39.920 39.000 0.031 0.000 1.303 1037 F HN -0.022 nan 8.300 nan 0.000 0.492 1038 E N 0.160 120.505 120.200 0.242 0.000 2.097 1038 E HA -0.246 4.105 4.350 0.001 0.000 0.196 1038 E C 0.328 177.015 176.600 0.144 0.000 1.000 1038 E CA 1.904 58.370 56.400 0.111 0.000 0.804 1038 E CB -0.003 29.736 29.700 0.066 0.000 0.740 1038 E HN 0.664 nan 8.360 nan 0.000 0.454 1039 D N -0.834 119.706 120.400 0.234 0.000 2.599 1039 D HA -0.004 4.636 4.640 0.001 0.000 0.249 1039 D C -0.523 175.936 176.300 0.265 0.000 1.313 1039 D CA -0.207 54.001 54.000 0.346 0.000 0.815 1039 D CB -0.258 40.659 40.800 0.196 0.000 1.077 1039 D HN -0.020 nan 8.370 nan 0.000 0.492 1040 S N -0.435 115.438 115.700 0.288 0.000 2.533 1040 S HA 0.578 5.048 4.470 0.001 0.000 0.282 1040 S C 0.755 175.448 174.600 0.155 0.000 1.304 1040 S CA 0.302 58.639 58.200 0.228 0.000 1.063 1040 S CB 1.193 64.584 63.200 0.318 0.000 0.881 1040 S HN 0.742 nan 8.310 nan 0.000 0.493 1041 G N 0.979 109.811 108.800 0.054 0.000 2.356 1041 G HA2 0.576 4.536 3.960 0.001 0.000 0.288 1041 G HA3 0.576 4.536 3.960 0.001 0.000 0.288 1041 G C -1.187 173.677 174.900 -0.060 0.000 1.302 1041 G CA -0.386 44.699 45.100 -0.025 0.000 0.887 1041 G HN 1.528 nan 8.290 nan 0.000 0.521 1042 A N -1.219 121.552 122.820 -0.082 0.000 2.423 1042 A HA 0.851 5.171 4.320 0.001 0.000 0.304 1042 A C -0.423 177.117 177.584 -0.074 0.000 1.104 1042 A CA -0.490 51.513 52.037 -0.057 0.000 0.757 1042 A CB 1.830 20.816 19.000 -0.022 0.000 1.313 1042 A HN 1.704 nan 8.150 nan 0.000 0.423 1043 V N 1.847 121.737 119.914 -0.040 0.000 2.455 1043 V HA 0.365 4.486 4.120 0.001 0.000 0.273 1043 V C 1.373 177.457 176.094 -0.018 0.000 1.045 1043 V CA 0.703 62.988 62.300 -0.025 0.000 0.976 1043 V CB 0.599 32.419 31.823 -0.004 0.000 0.993 1043 V HN 1.159 nan 8.190 nan 0.000 0.475 1044 A N 4.271 127.092 122.820 0.002 0.000 1.878 1044 A HA 0.226 4.547 4.320 0.001 0.000 0.213 1044 A C 1.126 178.661 177.584 -0.082 0.000 1.192 1044 A CA 1.483 53.522 52.037 0.004 0.000 0.619 1044 A CB 0.182 19.265 19.000 0.139 0.000 0.837 1044 A HN 0.746 nan 8.150 nan 0.000 0.446 1045 T N -3.451 111.065 114.554 -0.063 0.000 2.718 1045 T HA 0.565 4.916 4.350 0.001 0.000 0.306 1045 T C -1.841 172.823 174.700 -0.059 0.000 1.485 1045 T CA 0.154 62.199 62.100 -0.092 0.000 0.997 1045 T CB 1.315 70.090 68.868 -0.155 0.000 1.504 1045 T HN 1.169 nan 8.240 nan 0.000 0.497 1046 A N 2.164 124.935 122.820 -0.082 0.000 2.539 1046 A HA 0.777 5.098 4.320 0.001 0.000 0.296 1046 A C -0.406 177.110 177.584 -0.114 0.000 1.073 1046 A CA -0.841 51.145 52.037 -0.085 0.000 0.700 1046 A CB 1.314 20.256 19.000 -0.097 0.000 1.296 1046 A HN 0.980 nan 8.150 nan 0.000 0.405 1047 N N -0.043 118.603 118.700 -0.089 0.000 2.317 1047 N HA 0.119 4.859 4.740 0.001 0.000 0.245 1047 N C 0.278 175.613 175.510 -0.291 0.000 1.294 1047 N CA 0.144 53.069 53.050 -0.207 0.000 0.924 1047 N CB -0.115 38.267 38.487 -0.175 0.000 1.186 1047 N HN 0.576 nan 8.380 nan 0.000 0.495 1048 Y N -0.690 119.399 120.300 -0.352 0.000 2.293 1048 Y HA -0.092 4.459 4.550 0.001 0.000 0.291 1048 Y C 1.974 177.806 175.900 -0.113 0.000 1.137 1048 Y CA 1.363 59.340 58.100 -0.205 0.000 1.202 1048 Y CB -0.126 38.195 38.460 -0.232 0.000 0.990 1048 Y HN 0.624 nan 8.280 nan 0.000 0.537 1049 E N -0.052 120.159 120.200 0.019 0.000 2.058 1049 E HA -0.223 4.128 4.350 0.001 0.000 0.194 1049 E C 2.384 179.085 176.600 0.169 0.000 0.997 1049 E CA 1.407 57.852 56.400 0.076 0.000 0.801 1049 E CB -0.408 29.330 29.700 0.064 0.000 0.746 1049 E HN 0.428 nan 8.360 nan 0.000 0.450 1050 A N 0.947 123.819 122.820 0.087 0.000 1.969 1050 A HA -0.149 4.172 4.320 0.001 0.000 0.218 1050 A C 1.992 179.656 177.584 0.134 0.000 1.169 1050 A CA 1.233 53.344 52.037 0.125 0.000 0.635 1050 A CB -0.323 18.661 19.000 -0.028 0.000 0.810 1050 A HN 0.062 nan 8.150 nan 0.000 0.445 1051 R N -0.145 120.354 120.500 -0.003 0.000 2.152 1051 R HA -0.098 4.242 4.340 0.001 0.000 0.232 1051 R C 1.918 178.205 176.300 -0.022 0.000 1.117 1051 R CA 1.429 57.501 56.100 -0.047 0.000 0.981 1051 R CB -0.236 29.959 30.300 -0.175 0.000 0.870 1051 R HN 0.509 nan 8.270 nan 0.000 0.451 1052 K N -0.219 120.152 120.400 -0.048 0.000 2.209 1052 K HA -0.121 4.200 4.320 0.001 0.000 0.204 1052 K C 1.152 177.550 176.600 -0.336 0.000 1.048 1052 K CA 1.237 57.389 56.287 -0.225 0.000 0.940 1052 K CB -0.012 32.258 32.500 -0.383 0.000 0.729 1052 K HN 0.151 nan 8.250 nan 0.000 0.451 1053 F N -0.582 119.357 119.950 -0.017 0.000 2.765 1053 F HA 0.191 4.718 4.527 0.001 0.000 0.302 1053 F C 1.383 177.178 175.800 -0.009 0.000 1.111 1053 F CA 0.342 58.336 58.000 -0.009 0.000 1.359 1053 F CB 0.839 39.836 39.000 -0.005 0.000 1.097 1053 F HN 0.143 nan 8.300 nan 0.000 0.577 1054 G N 0.114 108.976 108.800 0.104 0.000 2.159 1054 G HA2 -0.235 3.726 3.960 0.001 0.000 0.227 1054 G HA3 -0.235 3.726 3.960 0.001 0.000 0.227 1054 G C 0.020 174.949 174.900 0.050 0.000 0.986 1054 G CA -0.149 44.984 45.100 0.056 0.000 0.651 1054 G HN 0.080 nan 8.290 nan 0.000 0.523 1055 V N 2.173 122.126 119.914 0.066 0.000 2.572 1055 V HA 0.515 4.635 4.120 0.001 0.000 0.291 1055 V C 0.693 176.781 176.094 -0.010 0.000 1.039 1055 V CA 1.097 63.418 62.300 0.035 0.000 1.055 1055 V CB 1.019 32.864 31.823 0.037 0.000 0.969 1055 V HN 0.726 nan 8.190 nan 0.000 0.482 1056 K N 3.732 124.122 120.400 -0.015 0.000 2.533 1056 K HA 0.854 5.175 4.320 0.001 0.000 0.272 1056 K C -0.643 175.936 176.600 -0.036 0.000 0.985 1056 K CA -0.922 55.341 56.287 -0.040 0.000 0.876 1056 K CB 1.963 34.442 32.500 -0.036 0.000 1.452 1056 K HN 0.591 nan 8.250 nan 0.000 0.439 1057 A N 0.251 123.041 122.820 -0.051 0.000 2.540 1057 A HA 0.414 4.735 4.320 0.001 0.000 0.239 1057 A C 1.266 178.832 177.584 -0.030 0.000 1.061 1057 A CA 1.251 53.261 52.037 -0.046 0.000 0.758 1057 A CB -1.143 17.820 19.000 -0.062 0.000 0.991 1057 A HN 1.457 nan 8.150 nan 0.000 0.502 1058 G N 1.086 109.872 108.800 -0.023 0.000 2.254 1058 G HA2 -0.222 3.739 3.960 0.001 0.000 0.225 1058 G HA3 -0.222 3.739 3.960 0.001 0.000 0.225 1058 G C 0.450 175.344 174.900 -0.011 0.000 1.003 1058 G CA 0.190 45.281 45.100 -0.015 0.000 0.622 1058 G HN 1.915 nan 8.290 nan 0.000 0.507 1059 I N 0.005 120.569 120.570 -0.010 0.000 2.720 1059 I HA 0.625 4.796 4.170 0.001 0.000 0.287 1059 I C -2.078 174.034 176.117 -0.008 0.000 1.090 1059 I CA -2.233 59.064 61.300 -0.005 0.000 1.384 1059 I CB 0.625 38.626 38.000 0.002 0.000 1.420 1059 I HN -0.092 nan 8.210 nan 0.000 0.575 1060 P HA 0.142 nan 4.420 nan 0.000 0.266 1060 P C 0.660 177.947 177.300 -0.021 0.000 1.195 1060 P CA 0.122 63.213 63.100 -0.015 0.000 0.768 1060 P CB 0.631 32.324 31.700 -0.011 0.000 0.838 1061 I N 2.179 122.722 120.570 -0.045 0.000 2.208 1061 I HA -0.242 3.928 4.170 0.001 0.000 0.245 1061 I C 2.067 178.135 176.117 -0.082 0.000 1.097 1061 I CA 1.446 62.706 61.300 -0.067 0.000 1.363 1061 I CB -0.347 37.573 38.000 -0.133 0.000 1.051 1061 I HN 0.178 nan 8.210 nan 0.000 0.413 1062 V N 0.453 120.327 119.914 -0.066 0.000 2.515 1062 V HA -0.211 3.910 4.120 0.001 0.000 0.250 1062 V C 2.445 178.509 176.094 -0.049 0.000 1.058 1062 V CA 1.581 63.837 62.300 -0.073 0.000 1.064 1062 V CB -0.591 31.195 31.823 -0.061 0.000 0.675 1062 V HN 0.403 nan 8.190 nan 0.000 0.461 1063 E N 0.399 120.584 120.200 -0.025 0.000 2.106 1063 E HA -0.127 4.224 4.350 0.001 0.000 0.192 1063 E C 2.388 178.999 176.600 0.018 0.000 0.984 1063 E CA 1.382 57.780 56.400 -0.005 0.000 0.806 1063 E CB -0.413 29.287 29.700 0.000 0.000 0.750 1063 E HN 0.573 nan 8.360 nan 0.000 0.458 1064 A N 1.738 124.582 122.820 0.040 0.000 1.933 1064 A HA -0.188 4.132 4.320 0.001 0.000 0.218 1064 A C 2.061 179.724 177.584 0.131 0.000 1.175 1064 A CA 1.465 53.571 52.037 0.114 0.000 0.628 1064 A CB -0.308 18.822 19.000 0.215 0.000 0.814 1064 A HN 0.102 nan 8.150 nan 0.000 0.444 1065 K N -0.279 120.124 120.400 0.005 0.000 2.211 1065 K HA -0.076 4.244 4.320 0.001 0.000 0.203 1065 K C 1.972 178.562 176.600 -0.016 0.000 1.050 1065 K CA 1.239 57.489 56.287 -0.062 0.000 0.945 1065 K CB -0.107 32.246 32.500 -0.246 0.000 0.732 1065 K HN 0.410 nan 8.250 nan 0.000 0.451 1066 K N 0.758 121.150 120.400 -0.013 0.000 2.057 1066 K HA -0.071 4.249 4.320 0.001 0.000 0.207 1066 K C 2.023 178.630 176.600 0.011 0.000 1.049 1066 K CA 1.130 57.414 56.287 -0.006 0.000 0.931 1066 K CB -0.025 32.472 32.500 -0.005 0.000 0.714 1066 K HN 0.112 nan 8.250 nan 0.000 0.440 1067 I N 0.137 120.725 120.570 0.029 0.000 2.406 1067 I HA -0.139 4.032 4.170 0.001 0.000 0.249 1067 I C 1.055 177.171 176.117 -0.003 0.000 1.122 1067 I CA 0.904 62.230 61.300 0.043 0.000 1.431 1067 I CB 0.373 38.417 38.000 0.074 0.000 1.087 1067 I HN 0.071 nan 8.210 nan 0.000 0.424 1068 L N 1.443 122.665 121.223 -0.002 0.000 2.435 1068 L HA 0.210 4.551 4.340 0.001 0.000 0.259 1068 L C -1.843 175.060 176.870 0.055 0.000 1.563 1068 L CA -0.785 54.005 54.840 -0.084 0.000 0.789 1068 L CB 1.273 43.257 42.059 -0.125 0.000 0.989 1068 L HN -0.095 nan 8.230 nan 0.000 0.522 1069 P HA -0.110 nan 4.420 nan 0.000 0.222 1069 P C 0.655 178.025 177.300 0.117 0.000 1.147 1069 P CA 1.107 64.245 63.100 0.063 0.000 0.790 1069 P CB 0.321 32.023 31.700 0.004 0.000 0.780 1070 N N -0.619 118.110 118.700 0.049 0.000 2.235 1070 N HA 0.185 4.926 4.740 0.001 0.000 0.209 1070 N C 0.381 175.895 175.510 0.007 0.000 1.122 1070 N CA -0.170 52.901 53.050 0.035 0.000 0.845 1070 N CB 0.507 38.984 38.487 -0.016 0.000 1.004 1070 N HN 0.063 nan 8.380 nan 0.000 0.499 1071 A N 0.486 123.301 122.820 -0.008 0.000 2.386 1071 A HA 0.278 4.599 4.320 0.001 0.000 0.246 1071 A C 0.458 177.939 177.584 -0.172 0.000 1.089 1071 A CA -0.108 51.814 52.037 -0.191 0.000 0.790 1071 A CB 0.538 19.273 19.000 -0.441 0.000 1.042 1071 A HN 0.003 nan 8.150 nan 0.000 0.497 1072 V N 1.537 121.328 119.914 -0.206 0.000 2.408 1072 V HA 0.151 4.272 4.120 0.001 0.000 0.267 1072 V C -0.940 175.021 176.094 -0.223 0.000 1.047 1072 V CA 0.247 62.489 62.300 -0.096 0.000 0.937 1072 V CB -0.476 31.325 31.823 -0.038 0.000 0.999 1072 V HN 0.623 nan 8.190 nan 0.000 0.472 1073 Y N 5.758 126.106 120.300 0.080 0.000 2.385 1073 Y HA 0.568 5.119 4.550 0.001 0.000 0.341 1073 Y C 0.172 176.184 175.900 0.187 0.000 0.965 1073 Y CA -0.364 57.813 58.100 0.127 0.000 1.180 1073 Y CB 0.995 39.552 38.460 0.161 0.000 1.139 1073 Y HN 0.452 nan 8.280 nan 0.000 0.502 1074 L N 6.584 127.963 121.223 0.260 0.000 2.334 1074 L HA 0.572 4.912 4.340 0.001 0.000 0.273 1074 L C -2.291 174.795 176.870 0.360 0.000 1.013 1074 L CA -2.349 52.646 54.840 0.259 0.000 0.816 1074 L CB 1.990 44.148 42.059 0.166 0.000 1.278 1074 L HN 0.362 nan 8.230 nan 0.000 0.431 1075 P HA 0.076 nan 4.420 nan 0.000 0.275 1075 P C -0.762 176.703 177.300 0.276 0.000 1.228 1075 P CA -0.482 62.883 63.100 0.442 0.000 0.786 1075 P CB 0.946 32.831 31.700 0.308 0.000 0.927 1076 M N 3.229 122.982 119.600 0.256 0.000 2.227 1076 M HA 0.065 4.546 4.480 0.001 0.000 0.349 1076 M C 0.607 176.945 176.300 0.063 0.000 1.443 1076 M CA 0.452 55.894 55.300 0.236 0.000 1.110 1076 M CB -0.123 32.615 32.600 0.230 0.000 1.773 1076 M HN 0.255 nan 8.290 nan 0.000 0.463 1077 R N 3.468 123.867 120.500 -0.168 0.000 2.860 1077 R HA 0.103 4.443 4.340 0.001 0.000 0.282 1077 R C 0.665 176.350 176.300 -1.024 0.000 1.408 1077 R CA -0.346 55.450 56.100 -0.506 0.000 1.636 1077 R CB 0.575 30.593 30.300 -0.470 0.000 1.187 1077 R HN 0.561 nan 8.270 nan 0.000 0.611 1078 K N 2.189 122.281 120.400 -0.513 0.000 2.063 1078 K HA -0.217 4.104 4.320 0.001 0.000 0.208 1078 K C 1.959 178.354 176.600 -0.341 0.000 1.048 1078 K CA 1.952 58.013 56.287 -0.376 0.000 0.928 1078 K CB 0.272 32.725 32.500 -0.078 0.000 0.713 1078 K HN 0.403 nan 8.250 nan 0.000 0.442 1079 E N 0.458 120.502 120.200 -0.260 0.000 2.085 1079 E HA -0.163 4.187 4.350 0.001 0.000 0.194 1079 E C 1.950 178.433 176.600 -0.195 0.000 0.994 1079 E CA 1.725 58.032 56.400 -0.155 0.000 0.801 1079 E CB -0.840 28.801 29.700 -0.099 0.000 0.743 1079 E HN 0.187 nan 8.360 nan 0.000 0.453 1080 V N 0.938 120.634 119.914 -0.363 0.000 2.295 1080 V HA -0.266 3.855 4.120 0.001 0.000 0.246 1080 V C 2.402 178.375 176.094 -0.203 0.000 1.049 1080 V CA 2.051 64.164 62.300 -0.311 0.000 1.024 1080 V CB -0.937 30.642 31.823 -0.407 0.000 0.648 1080 V HN 0.156 nan 8.190 nan 0.000 0.447 1081 Y N 0.230 120.421 120.300 -0.181 0.000 2.242 1081 Y HA -0.171 4.380 4.550 0.001 0.000 0.291 1081 Y C 2.583 178.555 175.900 0.119 0.000 1.137 1081 Y CA 1.115 59.099 58.100 -0.193 0.000 1.181 1081 Y CB -1.170 36.975 38.460 -0.526 0.000 0.989 1081 Y HN 0.254 nan 8.280 nan 0.000 0.527 1082 Q N 0.781 120.690 119.800 0.182 0.000 2.084 1082 Q HA -0.189 4.152 4.340 0.001 0.000 0.202 1082 Q C 2.026 178.127 176.000 0.168 0.000 0.978 1082 Q CA 1.867 57.789 55.803 0.200 0.000 0.844 1082 Q CB -0.297 28.508 28.738 0.112 0.000 0.898 1082 Q HN 0.580 nan 8.270 nan 0.000 0.426 1083 Q N -1.103 118.757 119.800 0.099 0.000 2.079 1083 Q HA -0.090 4.251 4.340 0.001 0.000 0.200 1083 Q C 2.090 178.158 176.000 0.113 0.000 0.974 1083 Q CA 1.585 57.436 55.803 0.079 0.000 0.840 1083 Q CB 0.058 28.814 28.738 0.031 0.000 0.898 1083 Q HN 0.261 nan 8.270 nan 0.000 0.430 1084 V N 0.213 120.219 119.914 0.153 0.000 2.343 1084 V HA -0.273 3.848 4.120 0.001 0.000 0.247 1084 V C 2.314 178.561 176.094 0.255 0.000 1.051 1084 V CA 1.918 64.329 62.300 0.186 0.000 1.036 1084 V CB -0.670 31.277 31.823 0.208 0.000 0.654 1084 V HN 0.369 nan 8.190 nan 0.000 0.451 1085 S N -0.216 115.733 115.700 0.416 0.000 2.359 1085 S HA -0.225 4.245 4.470 0.001 0.000 0.224 1085 S C 2.220 176.948 174.600 0.214 0.000 1.035 1085 S CA 2.196 60.618 58.200 0.370 0.000 1.018 1085 S CB -0.340 63.101 63.200 0.401 0.000 0.876 1085 S HN 0.614 nan 8.310 nan 0.000 0.448 1086 S N 1.226 117.026 115.700 0.167 0.000 2.382 1086 S HA 0.001 4.471 4.470 0.001 0.000 0.228 1086 S C 1.982 176.632 174.600 0.084 0.000 1.027 1086 S CA 0.854 59.121 58.200 0.111 0.000 0.991 1086 S CB -0.290 62.963 63.200 0.088 0.000 0.823 1086 S HN 0.513 nan 8.310 nan 0.000 0.469 1087 R N 0.568 121.113 120.500 0.075 0.000 2.075 1087 R HA 0.057 4.398 4.340 0.001 0.000 0.232 1087 R C 2.195 178.513 176.300 0.029 0.000 1.126 1087 R CA 1.189 57.316 56.100 0.045 0.000 0.963 1087 R CB -0.507 29.813 30.300 0.034 0.000 0.858 1087 R HN 0.409 nan 8.270 nan 0.000 0.435 1088 I N 0.615 121.191 120.570 0.009 0.000 2.252 1088 I HA -0.272 3.899 4.170 0.001 0.000 0.245 1088 I C 2.300 178.447 176.117 0.049 0.000 1.102 1088 I CA 0.987 62.255 61.300 -0.052 0.000 1.385 1088 I CB -0.194 37.616 38.000 -0.315 0.000 1.064 1088 I HN 0.117 nan 8.210 nan 0.000 0.414 1089 M N 0.286 119.953 119.600 0.112 0.000 2.149 1089 M HA -0.188 4.293 4.480 0.001 0.000 0.261 1089 M C 1.932 178.284 176.300 0.086 0.000 1.064 1089 M CA 1.627 56.997 55.300 0.116 0.000 1.102 1089 M CB -1.614 31.051 32.600 0.108 0.000 1.369 1089 M HN 0.259 nan 8.290 nan 0.000 0.408 1090 N N 0.615 119.355 118.700 0.068 0.000 2.188 1090 N HA -0.037 4.704 4.740 0.001 0.000 0.184 1090 N C 1.887 177.432 175.510 0.058 0.000 1.018 1090 N CA 0.985 54.068 53.050 0.053 0.000 0.858 1090 N CB -0.374 38.136 38.487 0.039 0.000 0.989 1090 N HN 0.383 nan 8.380 nan 0.000 0.426 1091 L N 0.376 121.640 121.223 0.069 0.000 2.083 1091 L HA -0.084 4.257 4.340 0.001 0.000 0.209 1091 L C 2.075 179.069 176.870 0.208 0.000 1.083 1091 L CA 0.744 55.648 54.840 0.107 0.000 0.752 1091 L CB -0.374 41.742 42.059 0.094 0.000 0.899 1091 L HN 0.122 nan 8.230 nan 0.000 0.433 1092 L N -0.771 120.560 121.223 0.180 0.000 2.217 1092 L HA -0.127 4.214 4.340 0.001 0.000 0.211 1092 L C 2.719 179.721 176.870 0.220 0.000 1.107 1092 L CA 0.841 55.818 54.840 0.229 0.000 0.783 1092 L CB -0.433 41.701 42.059 0.125 0.000 0.919 1092 L HN 0.197 nan 8.230 nan 0.000 0.442 1093 R N 0.275 120.851 120.500 0.127 0.000 2.193 1093 R HA -0.162 4.178 4.340 0.001 0.000 0.229 1093 R C 1.880 178.203 176.300 0.037 0.000 1.110 1093 R CA 1.044 57.192 56.100 0.080 0.000 0.988 1093 R CB -0.196 30.134 30.300 0.051 0.000 0.871 1093 R HN 0.479 nan 8.270 nan 0.000 0.458 1094 E N -0.637 119.552 120.200 -0.018 0.000 2.268 1094 E HA -0.166 4.185 4.350 0.001 0.000 0.195 1094 E C 0.765 177.172 176.600 -0.322 0.000 0.995 1094 E CA 1.000 57.274 56.400 -0.209 0.000 0.836 1094 E CB 0.087 29.568 29.700 -0.365 0.000 0.763 1094 E HN 0.450 nan 8.360 nan 0.000 0.491 1095 Y N -0.813 119.498 120.300 0.017 0.000 2.478 1095 Y HA 0.275 4.826 4.550 0.001 0.000 0.261 1095 Y C 0.583 176.500 175.900 0.028 0.000 1.127 1095 Y CA -0.097 58.014 58.100 0.020 0.000 1.288 1095 Y CB 1.200 39.670 38.460 0.017 0.000 1.084 1095 Y HN -0.209 nan 8.280 nan 0.000 0.530 1096 S N -1.152 114.635 115.700 0.145 0.000 2.542 1096 S HA 0.247 4.718 4.470 0.001 0.000 0.276 1096 S C -0.036 174.608 174.600 0.074 0.000 1.148 1096 S CA -0.626 57.637 58.200 0.104 0.000 0.886 1096 S CB 1.081 64.353 63.200 0.121 0.000 1.109 1096 S HN 0.182 nan 8.310 nan 0.000 0.458 1097 E N 2.001 122.234 120.200 0.055 0.000 2.072 1097 E HA 0.061 4.412 4.350 0.001 0.000 0.190 1097 E C -0.096 176.536 176.600 0.054 0.000 0.982 1097 E CA 0.919 57.346 56.400 0.045 0.000 0.803 1097 E CB 0.116 29.836 29.700 0.033 0.000 0.755 1097 E HN 0.429 nan 8.360 nan 0.000 0.453 1098 K N 1.171 121.608 120.400 0.062 0.000 2.262 1098 K HA 0.295 4.615 4.320 0.001 0.000 0.288 1098 K C -0.682 175.973 176.600 0.092 0.000 1.090 1098 K CA -0.006 56.322 56.287 0.069 0.000 0.918 1098 K CB 0.548 33.087 32.500 0.064 0.000 1.139 1098 K HN 0.085 nan 8.250 nan 0.000 0.462 1099 I N 1.338 121.963 120.570 0.092 0.000 2.619 1099 I HA 0.175 4.346 4.170 0.001 0.000 0.292 1099 I C -1.376 174.812 176.117 0.118 0.000 1.100 1099 I CA -0.562 60.806 61.300 0.113 0.000 1.043 1099 I CB 1.990 40.050 38.000 0.100 0.000 1.239 1099 I HN 0.534 nan 8.210 nan 0.000 0.420 1100 E N 8.104 128.403 120.200 0.165 0.000 2.186 1100 E HA 0.317 4.668 4.350 0.001 0.000 0.255 1100 E C -1.272 175.443 176.600 0.193 0.000 0.881 1100 E CA -0.765 55.740 56.400 0.175 0.000 0.752 1100 E CB 0.962 30.781 29.700 0.198 0.000 1.176 1100 E HN 0.465 nan 8.360 nan 0.000 0.421 1101 I N 4.358 125.000 120.570 0.120 0.000 2.494 1101 I HA 0.064 4.234 4.170 0.001 0.000 0.289 1101 I C 1.112 177.290 176.117 0.103 0.000 1.106 1101 I CA 0.301 61.650 61.300 0.081 0.000 1.369 1101 I CB 0.070 38.103 38.000 0.055 0.000 1.410 1101 I HN 0.666 nan 8.210 nan 0.000 0.523 1102 A N 5.302 128.194 122.820 0.120 0.000 2.044 1102 A HA 0.228 4.549 4.320 0.001 0.000 0.213 1102 A C 1.037 178.665 177.584 0.072 0.000 1.169 1102 A CA 0.996 53.129 52.037 0.160 0.000 0.724 1102 A CB 0.155 19.352 19.000 0.329 0.000 0.840 1102 A HN 0.772 nan 8.150 nan 0.000 0.463 1103 S N -2.673 113.026 115.700 -0.001 0.000 2.694 1103 S HA 0.348 4.818 4.470 0.001 0.000 0.273 1103 S C 0.507 175.069 174.600 -0.063 0.000 1.180 1103 S CA 0.133 58.322 58.200 -0.017 0.000 0.864 1103 S CB -0.221 62.962 63.200 -0.027 0.000 1.198 1103 S HN 0.340 nan 8.310 nan 0.000 0.499 1104 I N 1.275 121.838 120.570 -0.012 0.000 2.700 1104 I HA -0.055 4.116 4.170 0.001 0.000 0.261 1104 I C 0.699 176.683 176.117 -0.222 0.000 1.219 1104 I CA 2.140 63.463 61.300 0.039 0.000 1.463 1104 I CB -0.123 38.037 38.000 0.267 0.000 1.092 1104 I HN 0.781 nan 8.210 nan 0.000 0.452 1105 D N -0.765 119.325 120.400 -0.516 0.000 2.651 1105 D HA 0.137 4.778 4.640 0.001 0.000 0.280 1105 D C -0.316 175.115 176.300 -1.447 0.000 1.496 1105 D CA -0.229 52.970 54.000 -1.336 0.000 0.792 1105 D CB -0.107 40.116 40.800 -0.962 0.000 1.144 1105 D HN 0.297 nan 8.370 nan 0.000 0.470 1106 E N 0.020 119.710 120.200 -0.851 0.000 2.292 1106 E HA 0.743 5.093 4.350 0.001 0.000 0.272 1106 E C -1.404 174.927 176.600 -0.449 0.000 0.881 1106 E CA -1.124 54.865 56.400 -0.684 0.000 0.754 1106 E CB 2.471 32.007 29.700 -0.273 0.000 1.201 1106 E HN 0.233 nan 8.360 nan 0.000 0.425 1107 A N 2.425 124.940 122.820 -0.507 0.000 2.486 1107 A HA 0.618 4.938 4.320 0.001 0.000 0.300 1107 A C -1.884 175.578 177.584 -0.203 0.000 1.048 1107 A CA -0.612 51.303 52.037 -0.203 0.000 0.696 1107 A CB 0.727 19.666 19.000 -0.102 0.000 1.278 1107 A HN 0.555 nan 8.150 nan 0.000 0.405 1108 Y N 1.028 121.425 120.300 0.161 0.000 2.330 1108 Y HA 0.588 5.139 4.550 0.001 0.000 0.336 1108 Y C -0.294 175.682 175.900 0.127 0.000 1.036 1108 Y CA -0.499 57.727 58.100 0.211 0.000 1.125 1108 Y CB 1.580 40.167 38.460 0.212 0.000 1.194 1108 Y HN 0.467 nan 8.280 nan 0.000 0.469 1109 L N 3.679 125.052 121.223 0.251 0.000 2.325 1109 L HA 0.275 4.616 4.340 0.001 0.000 0.281 1109 L C -0.472 176.507 176.870 0.181 0.000 1.004 1109 L CA -0.576 54.371 54.840 0.179 0.000 0.823 1109 L CB 1.244 43.380 42.059 0.129 0.000 1.236 1109 L HN 0.543 nan 8.230 nan 0.000 0.415 1110 D N 4.119 124.610 120.400 0.151 0.000 2.359 1110 D HA 0.139 4.780 4.640 0.001 0.000 0.250 1110 D C 0.670 177.032 176.300 0.105 0.000 1.264 1110 D CA -0.019 54.055 54.000 0.124 0.000 0.911 1110 D CB 0.668 41.525 40.800 0.095 0.000 1.056 1110 D HN 0.523 nan 8.370 nan 0.000 0.499 1111 I N 0.601 121.235 120.570 0.107 0.000 3.856 1111 I HA 0.171 4.342 4.170 0.001 0.000 0.333 1111 I C 1.103 177.260 176.117 0.066 0.000 1.525 1111 I CA -0.560 60.795 61.300 0.091 0.000 1.173 1111 I CB 0.300 38.361 38.000 0.102 0.000 1.175 1111 I HN -0.034 nan 8.210 nan 0.000 0.424 1112 S N 1.666 117.399 115.700 0.055 0.000 2.400 1112 S HA -0.147 4.324 4.470 0.001 0.000 0.232 1112 S C 1.313 175.925 174.600 0.020 0.000 1.025 1112 S CA 1.783 59.999 58.200 0.027 0.000 0.993 1112 S CB -0.234 62.980 63.200 0.024 0.000 0.808 1112 S HN 0.620 nan 8.310 nan 0.000 0.478 1113 D N 0.342 120.760 120.400 0.030 0.000 2.333 1113 D HA 0.070 4.710 4.640 0.001 0.000 0.208 1113 D C 1.557 177.875 176.300 0.030 0.000 0.984 1113 D CA 0.496 54.511 54.000 0.025 0.000 0.873 1113 D CB 0.073 40.889 40.800 0.026 0.000 0.935 1113 D HN 0.209 nan 8.370 nan 0.000 0.521 1114 K N 0.583 121.008 120.400 0.043 0.000 2.323 1114 K HA 0.115 4.435 4.320 0.001 0.000 0.197 1114 K C 0.933 177.562 176.600 0.049 0.000 1.043 1114 K CA 0.252 56.570 56.287 0.052 0.000 0.997 1114 K CB 1.065 33.611 32.500 0.076 0.000 0.807 1114 K HN 0.152 nan 8.250 nan 0.000 0.497 1115 V N -1.937 118.001 119.914 0.040 0.000 2.962 1115 V HA 0.471 4.592 4.120 0.001 0.000 0.313 1115 V C 0.380 176.478 176.094 0.007 0.000 1.099 1115 V CA -1.068 61.253 62.300 0.034 0.000 0.971 1115 V CB 2.253 34.108 31.823 0.052 0.000 1.028 1115 V HN -0.146 nan 8.190 nan 0.000 0.430 1116 R N 1.012 121.512 120.500 0.001 0.000 2.254 1116 R HA 0.365 4.705 4.340 0.001 0.000 0.195 1116 R C -0.384 175.884 176.300 -0.053 0.000 0.957 1116 R CA 0.908 56.996 56.100 -0.020 0.000 1.024 1116 R CB 0.051 30.347 30.300 -0.007 0.000 0.952 1116 R HN 1.047 nan 8.270 nan 0.000 0.484 1117 D N -4.293 116.075 120.400 -0.052 0.000 2.738 1117 D HA 0.001 4.642 4.640 0.001 0.000 0.308 1117 D C -0.217 176.060 176.300 -0.037 0.000 1.311 1117 D CA -0.784 53.154 54.000 -0.103 0.000 0.799 1117 D CB -0.197 40.578 40.800 -0.041 0.000 1.332 1117 D HN -0.278 nan 8.370 nan 0.000 0.441 1118 Y N -0.144 120.181 120.300 0.042 0.000 2.352 1118 Y HA 0.071 4.622 4.550 0.001 0.000 0.292 1118 Y C 2.554 178.500 175.900 0.077 0.000 1.136 1118 Y CA 1.208 59.343 58.100 0.059 0.000 1.227 1118 Y CB -0.295 38.189 38.460 0.041 0.000 0.991 1118 Y HN 0.432 nan 8.280 nan 0.000 0.545 1119 R N 0.670 121.286 120.500 0.193 0.000 2.080 1119 R HA -0.192 4.148 4.340 0.001 0.000 0.236 1119 R C 1.925 178.324 176.300 0.166 0.000 1.137 1119 R CA 2.058 58.239 56.100 0.135 0.000 0.943 1119 R CB -0.179 30.165 30.300 0.074 0.000 0.846 1119 R HN 0.384 nan 8.270 nan 0.000 0.431 1120 E N -0.391 119.884 120.200 0.126 0.000 2.204 1120 E HA -0.151 4.200 4.350 0.001 0.000 0.194 1120 E C 1.858 178.537 176.600 0.131 0.000 0.989 1120 E CA 0.873 57.340 56.400 0.112 0.000 0.824 1120 E CB -0.017 29.727 29.700 0.073 0.000 0.756 1120 E HN 0.464 nan 8.360 nan 0.000 0.477 1121 A N 0.795 123.715 122.820 0.165 0.000 1.930 1121 A HA -0.204 4.116 4.320 0.001 0.000 0.217 1121 A C 1.988 179.675 177.584 0.171 0.000 1.175 1121 A CA 1.151 53.293 52.037 0.175 0.000 0.627 1121 A CB -0.674 18.480 19.000 0.256 0.000 0.815 1121 A HN 0.389 nan 8.150 nan 0.000 0.443 1122 Y N 1.369 121.721 120.300 0.087 0.000 2.181 1122 Y HA -0.216 4.334 4.550 0.001 0.000 0.288 1122 Y C 2.169 178.085 175.900 0.027 0.000 1.146 1122 Y CA 2.108 60.238 58.100 0.050 0.000 1.164 1122 Y CB -0.174 38.313 38.460 0.045 0.000 0.982 1122 Y HN 0.321 nan 8.280 nan 0.000 0.515 1123 N N 0.405 119.207 118.700 0.169 0.000 2.223 1123 N HA -0.168 4.573 4.740 0.001 0.000 0.185 1123 N C 1.789 177.288 175.510 -0.018 0.000 1.016 1123 N CA 1.334 54.425 53.050 0.068 0.000 0.863 1123 N CB -0.596 37.960 38.487 0.115 0.000 0.983 1123 N HN 0.411 nan 8.380 nan 0.000 0.429 1124 L N 0.873 122.096 121.223 -0.000 0.000 2.093 1124 L HA 0.072 4.413 4.340 0.001 0.000 0.208 1124 L C 2.031 178.814 176.870 -0.145 0.000 1.085 1124 L CA 1.526 56.346 54.840 -0.035 0.000 0.755 1124 L CB -1.021 41.050 42.059 0.021 0.000 0.904 1124 L HN 0.122 nan 8.230 nan 0.000 0.435 1125 G N -0.457 108.250 108.800 -0.155 0.000 2.418 1125 G HA2 -0.224 3.737 3.960 0.001 0.000 0.217 1125 G HA3 -0.224 3.737 3.960 0.001 0.000 0.217 1125 G C 1.597 176.339 174.900 -0.263 0.000 1.158 1125 G CA 1.036 46.005 45.100 -0.217 0.000 0.771 1125 G HN 0.423 nan 8.290 nan 0.000 0.545 1126 L N -0.071 120.977 121.223 -0.292 0.000 2.056 1126 L HA -0.038 4.303 4.340 0.001 0.000 0.207 1126 L C 2.756 179.531 176.870 -0.158 0.000 1.078 1126 L CA 1.395 56.093 54.840 -0.236 0.000 0.749 1126 L CB -0.378 41.554 42.059 -0.211 0.000 0.901 1126 L HN 0.337 nan 8.230 nan 0.000 0.433 1127 E N 0.759 120.876 120.200 -0.139 0.000 2.058 1127 E HA -0.246 4.105 4.350 0.001 0.000 0.194 1127 E C 2.295 178.775 176.600 -0.200 0.000 0.997 1127 E CA 1.356 57.694 56.400 -0.103 0.000 0.801 1127 E CB -0.025 29.655 29.700 -0.033 0.000 0.746 1127 E HN 0.431 nan 8.360 nan 0.000 0.450 1128 I N 0.702 121.043 120.570 -0.382 0.000 2.226 1128 I HA -0.281 3.889 4.170 0.001 0.000 0.245 1128 I C 2.443 178.412 176.117 -0.246 0.000 1.100 1128 I CA 1.225 62.231 61.300 -0.491 0.000 1.374 1128 I CB -0.132 37.538 38.000 -0.550 0.000 1.057 1128 I HN 0.040 nan 8.210 nan 0.000 0.413 1129 K N 0.516 120.799 120.400 -0.196 0.000 2.063 1129 K HA -0.164 4.157 4.320 0.001 0.000 0.208 1129 K C 1.878 178.416 176.600 -0.102 0.000 1.048 1129 K CA 1.461 57.664 56.287 -0.139 0.000 0.928 1129 K CB -0.192 32.229 32.500 -0.131 0.000 0.713 1129 K HN 0.300 nan 8.250 nan 0.000 0.442 1130 N N 0.987 119.633 118.700 -0.089 0.000 2.188 1130 N HA -0.148 4.593 4.740 0.001 0.000 0.184 1130 N C 1.649 177.140 175.510 -0.032 0.000 1.018 1130 N CA 1.059 54.079 53.050 -0.050 0.000 0.858 1130 N CB -0.075 38.391 38.487 -0.034 0.000 0.989 1130 N HN 0.077 nan 8.380 nan 0.000 0.426 1131 K N 1.607 121.991 120.400 -0.026 0.000 2.057 1131 K HA 0.089 4.410 4.320 0.001 0.000 0.206 1131 K C 1.869 178.462 176.600 -0.011 0.000 1.050 1131 K CA 0.880 57.178 56.287 0.019 0.000 0.935 1131 K CB -0.393 32.173 32.500 0.110 0.000 0.715 1131 K HN 0.106 nan 8.250 nan 0.000 0.439 1132 I N 0.383 120.919 120.570 -0.055 0.000 2.315 1132 I HA -0.202 3.969 4.170 0.001 0.000 0.248 1132 I C 2.068 178.136 176.117 -0.083 0.000 1.117 1132 I CA 0.553 61.798 61.300 -0.092 0.000 1.404 1132 I CB -0.215 37.689 38.000 -0.161 0.000 1.071 1132 I HN 0.145 nan 8.210 nan 0.000 0.419 1133 L N 0.793 121.976 121.223 -0.067 0.000 2.083 1133 L HA -0.188 4.152 4.340 0.001 0.000 0.209 1133 L C 2.351 179.202 176.870 -0.031 0.000 1.083 1133 L CA 1.862 56.673 54.840 -0.049 0.000 0.752 1133 L CB -0.487 41.549 42.059 -0.040 0.000 0.899 1133 L HN 0.183 nan 8.230 nan 0.000 0.433 1134 E N -0.897 119.290 120.200 -0.022 0.000 2.028 1134 E HA -0.189 4.161 4.350 0.001 0.000 0.191 1134 E C 1.972 178.566 176.600 -0.010 0.000 0.988 1134 E CA 1.104 57.498 56.400 -0.010 0.000 0.799 1134 E CB 0.041 29.741 29.700 -0.000 0.000 0.755 1134 E HN 0.307 nan 8.360 nan 0.000 0.447 1135 K N 0.198 120.590 120.400 -0.013 0.000 2.167 1135 K HA -0.017 4.304 4.320 0.001 0.000 0.203 1135 K C 1.481 178.070 176.600 -0.018 0.000 1.052 1135 K CA 0.879 57.160 56.287 -0.011 0.000 0.956 1135 K CB 0.313 32.809 32.500 -0.005 0.000 0.735 1135 K HN 0.084 nan 8.250 nan 0.000 0.451 1136 E N -0.072 120.109 120.200 -0.033 0.000 2.571 1136 E HA 0.072 4.422 4.350 0.001 0.000 0.222 1136 E C -0.274 176.303 176.600 -0.038 0.000 0.904 1136 E CA -0.044 56.334 56.400 -0.037 0.000 1.157 1136 E CB 0.771 30.433 29.700 -0.063 0.000 1.158 1136 E HN 0.007 nan 8.360 nan 0.000 0.540 1137 K N 0.761 121.138 120.400 -0.037 0.000 3.160 1137 K HA -0.162 4.158 4.320 0.001 0.000 0.280 1137 K C -0.080 176.495 176.600 -0.041 0.000 1.154 1137 K CA 0.564 56.833 56.287 -0.029 0.000 0.822 1137 K CB -1.645 30.846 32.500 -0.014 0.000 1.239 1137 K HN 0.176 nan 8.250 nan 0.000 0.489 1138 I N 1.824 122.351 120.570 -0.072 0.000 2.378 1138 I HA 0.117 4.288 4.170 0.001 0.000 0.291 1138 I C 1.242 177.300 176.117 -0.098 0.000 0.992 1138 I CA -0.327 60.916 61.300 -0.096 0.000 1.154 1138 I CB 1.640 39.556 38.000 -0.140 0.000 1.315 1138 I HN 0.115 nan 8.210 nan 0.000 0.448 1139 T N 4.430 118.947 114.554 -0.062 0.000 2.910 1139 T HA 0.657 5.008 4.350 0.001 0.000 0.293 1139 T C -0.029 174.655 174.700 -0.027 0.000 1.015 1139 T CA -0.549 61.531 62.100 -0.034 0.000 1.094 1139 T CB 1.653 70.534 68.868 0.023 0.000 0.968 1139 T HN 0.487 nan 8.240 nan 0.000 0.521 1140 V N -0.733 119.168 119.914 -0.023 0.000 3.130 1140 V HA 0.860 4.981 4.120 0.001 0.000 0.310 1140 V C -0.465 175.625 176.094 -0.008 0.000 1.158 1140 V CA -0.939 61.370 62.300 0.015 0.000 1.029 1140 V CB 1.850 33.684 31.823 0.018 0.000 1.057 1140 V HN 1.015 nan 8.190 nan 0.000 0.436 1141 T N 1.742 116.290 114.554 -0.011 0.000 2.823 1141 T HA 0.695 5.045 4.350 0.001 0.000 0.279 1141 T C -0.624 174.039 174.700 -0.062 0.000 0.998 1141 T CA -0.337 61.750 62.100 -0.022 0.000 0.994 1141 T CB 1.519 70.397 68.868 0.017 0.000 0.960 1141 T HN 0.748 nan 8.240 nan 0.000 0.448 1142 V N 2.600 122.486 119.914 -0.047 0.000 2.417 1142 V HA 0.772 4.893 4.120 0.001 0.000 0.291 1142 V C 0.562 176.679 176.094 0.038 0.000 1.024 1142 V CA -0.585 61.687 62.300 -0.047 0.000 0.861 1142 V CB 1.746 33.515 31.823 -0.089 0.000 0.985 1142 V HN 1.031 nan 8.190 nan 0.000 0.436 1143 G N 4.633 113.507 108.800 0.123 0.000 2.461 1143 G HA2 0.795 4.756 3.960 0.001 0.000 0.323 1143 G HA3 0.795 4.756 3.960 0.001 0.000 0.323 1143 G C -1.210 173.794 174.900 0.173 0.000 1.229 1143 G CA -0.491 44.709 45.100 0.167 0.000 0.941 1143 G HN 0.589 nan 8.290 nan 0.000 0.477 1144 I N 1.207 121.854 120.570 0.128 0.000 2.499 1144 I HA 0.577 4.748 4.170 0.001 0.000 0.288 1144 I C -0.019 176.146 176.117 0.080 0.000 1.048 1144 I CA -0.384 61.001 61.300 0.143 0.000 1.062 1144 I CB 2.299 40.385 38.000 0.145 0.000 1.238 1144 I HN 0.580 nan 8.210 nan 0.000 0.426 1145 S N 3.081 118.893 115.700 0.186 0.000 2.800 1145 S HA 0.324 4.795 4.470 0.001 0.000 0.293 1145 S C 0.303 175.110 174.600 0.345 0.000 1.209 1145 S CA -0.615 57.688 58.200 0.171 0.000 0.884 1145 S CB 1.314 64.611 63.200 0.161 0.000 1.244 1145 S HN 0.729 nan 8.310 nan 0.000 0.540 1146 K N 0.692 121.274 120.400 0.304 0.000 2.366 1146 K HA 0.158 4.479 4.320 0.001 0.000 0.198 1146 K C 0.581 177.319 176.600 0.230 0.000 1.044 1146 K CA 0.694 57.137 56.287 0.259 0.000 0.973 1146 K CB -0.493 32.116 32.500 0.181 0.000 0.767 1146 K HN 0.570 nan 8.250 nan 0.000 0.475 1147 N N -0.759 118.108 118.700 0.278 0.000 3.039 1147 N HA 0.139 4.880 4.740 0.001 0.000 0.257 1147 N C -0.435 175.230 175.510 0.258 0.000 1.497 1147 N CA -0.997 52.227 53.050 0.289 0.000 0.861 1147 N CB 1.107 39.840 38.487 0.410 0.000 1.479 1147 N HN -0.260 nan 8.380 nan 0.000 0.547 1148 K N 0.013 120.540 120.400 0.212 0.000 2.097 1148 K HA -0.034 4.287 4.320 0.001 0.000 0.206 1148 K C 1.805 178.413 176.600 0.013 0.000 1.049 1148 K CA 1.275 57.605 56.287 0.071 0.000 0.933 1148 K CB -0.155 32.174 32.500 -0.285 0.000 0.717 1148 K HN 0.292 nan 8.250 nan 0.000 0.442 1149 V N 0.646 120.470 119.914 -0.149 0.000 2.307 1149 V HA -0.210 3.911 4.120 0.001 0.000 0.245 1149 V C 1.903 177.788 176.094 -0.349 0.000 1.045 1149 V CA 1.706 63.779 62.300 -0.378 0.000 1.024 1149 V CB -0.471 30.889 31.823 -0.771 0.000 0.651 1149 V HN 0.154 nan 8.190 nan 0.000 0.449 1150 F N 0.449 120.345 119.950 -0.091 0.000 2.456 1150 F HA 0.112 4.639 4.527 0.001 0.000 0.298 1150 F C 2.294 178.082 175.800 -0.019 0.000 1.104 1150 F CA 0.837 58.804 58.000 -0.054 0.000 1.435 1150 F CB -0.719 38.261 39.000 -0.033 0.000 1.078 1150 F HN 0.068 nan 8.300 nan 0.000 0.546 1151 A N -0.014 122.906 122.820 0.166 0.000 1.930 1151 A HA -0.194 4.126 4.320 0.001 0.000 0.217 1151 A C 2.237 179.828 177.584 0.013 0.000 1.175 1151 A CA 1.671 53.801 52.037 0.155 0.000 0.627 1151 A CB -0.573 18.585 19.000 0.263 0.000 0.815 1151 A HN 0.328 nan 8.150 nan 0.000 0.443 1152 K N -0.248 119.998 120.400 -0.256 0.000 2.057 1152 K HA -0.008 4.313 4.320 0.001 0.000 0.206 1152 K C 1.716 178.212 176.600 -0.173 0.000 1.050 1152 K CA 1.337 57.284 56.287 -0.567 0.000 0.935 1152 K CB -0.301 31.808 32.500 -0.652 0.000 0.715 1152 K HN 0.454 nan 8.250 nan 0.000 0.439 1153 I N 1.032 121.534 120.570 -0.112 0.000 2.286 1153 I HA -0.252 3.918 4.170 0.001 0.000 0.248 1153 I C 2.399 178.537 176.117 0.035 0.000 1.115 1153 I CA 1.122 62.398 61.300 -0.042 0.000 1.392 1153 I CB -0.291 37.681 38.000 -0.046 0.000 1.065 1153 I HN 0.278 nan 8.210 nan 0.000 0.418 1154 A N 0.650 123.513 122.820 0.071 0.000 1.902 1154 A HA -0.165 4.155 4.320 0.001 0.000 0.217 1154 A C 2.528 180.168 177.584 0.093 0.000 1.181 1154 A CA 1.841 53.928 52.037 0.084 0.000 0.623 1154 A CB -0.799 18.255 19.000 0.090 0.000 0.818 1154 A HN 0.427 nan 8.150 nan 0.000 0.443 1155 A N -0.097 122.807 122.820 0.139 0.000 1.930 1155 A HA -0.143 4.177 4.320 0.001 0.000 0.217 1155 A C 1.721 179.376 177.584 0.119 0.000 1.175 1155 A CA 1.777 53.913 52.037 0.166 0.000 0.627 1155 A CB -0.529 18.674 19.000 0.339 0.000 0.815 1155 A HN 0.444 nan 8.150 nan 0.000 0.443 1156 D N -0.269 120.189 120.400 0.096 0.000 2.144 1156 D HA -0.136 4.505 4.640 0.001 0.000 0.199 1156 D C 1.897 178.231 176.300 0.056 0.000 0.984 1156 D CA 1.345 55.387 54.000 0.069 0.000 0.834 1156 D CB -0.327 40.494 40.800 0.036 0.000 0.955 1156 D HN 0.507 nan 8.370 nan 0.000 0.465 1157 M N -0.203 119.427 119.600 0.050 0.000 2.319 1157 M HA 0.003 4.484 4.480 0.001 0.000 0.265 1157 M C 1.759 178.080 176.300 0.035 0.000 1.068 1157 M CA 0.951 56.274 55.300 0.039 0.000 1.118 1157 M CB 0.258 32.880 32.600 0.036 0.000 1.395 1157 M HN -0.050 nan 8.290 nan 0.000 0.435 1158 A N -0.551 122.294 122.820 0.042 0.000 2.390 1158 A HA 0.172 4.493 4.320 0.001 0.000 0.232 1158 A C 0.823 178.417 177.584 0.016 0.000 1.233 1158 A CA -0.234 51.821 52.037 0.029 0.000 0.907 1158 A CB 0.027 19.051 19.000 0.039 0.000 0.967 1158 A HN 0.211 nan 8.150 nan 0.000 0.512 1159 K N 0.652 121.071 120.400 0.032 0.000 2.218 1159 K HA 0.148 4.469 4.320 0.001 0.000 0.250 1159 K C -1.983 174.573 176.600 -0.073 0.000 1.024 1159 K CA -0.730 55.574 56.287 0.027 0.000 0.842 1159 K CB -0.295 32.267 32.500 0.103 0.000 1.041 1159 K HN 0.023 nan 8.250 nan 0.000 0.522 1160 P HA -0.281 nan 4.420 nan 0.000 0.244 1160 P C -0.762 176.477 177.300 -0.103 0.000 1.052 1160 P CA 0.822 63.765 63.100 -0.261 0.000 0.761 1160 P CB -0.245 31.105 31.700 -0.583 0.000 0.616 1161 N N 0.582 119.266 118.700 -0.028 0.000 2.688 1161 N HA -0.189 4.552 4.740 0.001 0.000 0.258 1161 N C 0.163 175.658 175.510 -0.026 0.000 1.016 1161 N CA 1.647 54.688 53.050 -0.015 0.000 0.747 1161 N CB -1.009 37.472 38.487 -0.010 0.000 0.895 1161 N HN 0.690 nan 8.380 nan 0.000 0.543 1162 G N -0.170 108.619 108.800 -0.019 0.000 3.140 1162 G HA2 0.830 4.790 3.960 0.001 0.000 0.271 1162 G HA3 0.830 4.790 3.960 0.001 0.000 0.271 1162 G C -0.904 173.986 174.900 -0.016 0.000 1.370 1162 G CA -0.453 44.641 45.100 -0.010 0.000 1.014 1162 G HN 0.546 nan 8.290 nan 0.000 0.541 1163 I N -0.829 119.747 120.570 0.009 0.000 2.731 1163 I HA 0.574 4.744 4.170 0.001 0.000 0.289 1163 I C -1.921 174.261 176.117 0.108 0.000 1.399 1163 I CA -0.829 60.474 61.300 0.005 0.000 1.048 1163 I CB 2.134 40.050 38.000 -0.140 0.000 1.345 1163 I HN 0.362 nan 8.210 nan 0.000 0.425 1164 K N 6.026 126.490 120.400 0.107 0.000 2.525 1164 K HA 0.553 4.873 4.320 0.001 0.000 0.254 1164 K C -1.961 174.688 176.600 0.082 0.000 0.934 1164 K CA -0.513 55.839 56.287 0.109 0.000 0.802 1164 K CB 2.649 35.188 32.500 0.065 0.000 1.295 1164 K HN 0.407 nan 8.250 nan 0.000 0.433 1165 V N 5.098 125.035 119.914 0.037 0.000 2.435 1165 V HA 0.502 4.623 4.120 0.001 0.000 0.290 1165 V C 0.278 176.268 176.094 -0.173 0.000 1.030 1165 V CA -0.765 61.471 62.300 -0.106 0.000 0.881 1165 V CB 1.542 33.265 31.823 -0.167 0.000 0.983 1165 V HN 0.579 nan 8.190 nan 0.000 0.445 1166 I N 5.185 125.620 120.570 -0.224 0.000 2.347 1166 I HA 0.271 4.442 4.170 0.001 0.000 0.283 1166 I C 0.069 175.975 176.117 -0.352 0.000 1.058 1166 I CA -0.623 60.556 61.300 -0.201 0.000 1.202 1166 I CB 0.993 38.946 38.000 -0.079 0.000 1.386 1166 I HN 0.744 nan 8.210 nan 0.000 0.475 1167 D N 3.619 123.814 120.400 -0.341 0.000 2.380 1167 D HA 0.012 4.653 4.640 0.001 0.000 0.254 1167 D C 0.678 176.920 176.300 -0.097 0.000 1.288 1167 D CA -0.302 53.542 54.000 -0.260 0.000 1.008 1167 D CB 0.796 41.539 40.800 -0.095 0.000 1.099 1167 D HN 0.242 nan 8.370 nan 0.000 0.537 1168 D N -0.978 119.442 120.400 0.033 0.000 2.117 1168 D HA -0.159 4.481 4.640 0.001 0.000 0.197 1168 D C 1.647 177.905 176.300 -0.070 0.000 0.987 1168 D CA 1.255 55.244 54.000 -0.018 0.000 0.829 1168 D CB -0.202 40.615 40.800 0.028 0.000 0.961 1168 D HN 0.621 nan 8.370 nan 0.000 0.460 1169 E N 0.919 121.091 120.200 -0.047 0.000 2.077 1169 E HA -0.161 4.190 4.350 0.001 0.000 0.193 1169 E C 1.822 178.375 176.600 -0.079 0.000 0.989 1169 E CA 1.079 57.447 56.400 -0.053 0.000 0.800 1169 E CB 0.012 29.692 29.700 -0.035 0.000 0.746 1169 E HN 0.261 nan 8.360 nan 0.000 0.452 1170 E N -0.734 119.406 120.200 -0.100 0.000 2.208 1170 E HA -0.094 4.257 4.350 0.001 0.000 0.193 1170 E C 1.952 178.453 176.600 -0.165 0.000 0.988 1170 E CA 0.717 57.052 56.400 -0.108 0.000 0.828 1170 E CB 0.247 29.886 29.700 -0.102 0.000 0.763 1170 E HN 0.163 nan 8.360 nan 0.000 0.478 1171 V N 1.636 121.387 119.914 -0.273 0.000 2.407 1171 V HA -0.242 3.879 4.120 0.001 0.000 0.248 1171 V C 2.211 178.124 176.094 -0.302 0.000 1.055 1171 V CA 1.443 63.434 62.300 -0.516 0.000 1.049 1171 V CB -0.301 31.117 31.823 -0.675 0.000 0.662 1171 V HN 0.140 nan 8.190 nan 0.000 0.455 1172 K N 0.136 120.433 120.400 -0.172 0.000 2.057 1172 K HA -0.139 4.182 4.320 0.001 0.000 0.206 1172 K C 2.190 178.757 176.600 -0.055 0.000 1.050 1172 K CA 1.307 57.540 56.287 -0.091 0.000 0.935 1172 K CB -0.528 31.934 32.500 -0.064 0.000 0.715 1172 K HN 0.376 nan 8.250 nan 0.000 0.439 1173 R N 0.980 121.447 120.500 -0.056 0.000 2.091 1173 R HA -0.049 4.291 4.340 0.001 0.000 0.238 1173 R C 2.305 178.600 176.300 -0.008 0.000 1.136 1173 R CA 1.097 57.179 56.100 -0.029 0.000 0.959 1173 R CB -0.183 30.098 30.300 -0.031 0.000 0.856 1173 R HN 0.100 nan 8.270 nan 0.000 0.437 1174 L N 0.196 121.418 121.223 -0.002 0.000 2.240 1174 L HA -0.066 4.274 4.340 0.001 0.000 0.211 1174 L C 2.284 179.209 176.870 0.092 0.000 1.106 1174 L CA 0.608 55.486 54.840 0.064 0.000 0.793 1174 L CB -0.160 41.985 42.059 0.143 0.000 0.927 1174 L HN 0.229 nan 8.230 nan 0.000 0.446 1175 I N 0.296 120.910 120.570 0.073 0.000 2.454 1175 I HA -0.278 3.892 4.170 0.001 0.000 0.254 1175 I C 2.584 178.726 176.117 0.041 0.000 1.156 1175 I CA 1.384 62.732 61.300 0.080 0.000 1.433 1175 I CB -0.121 37.912 38.000 0.054 0.000 1.082 1175 I HN 0.366 nan 8.210 nan 0.000 0.432 1176 R N -0.182 120.333 120.500 0.024 0.000 2.307 1176 R HA 0.166 4.506 4.340 0.001 0.000 0.200 1176 R C 1.247 177.555 176.300 0.013 0.000 0.893 1176 R CA 0.234 56.343 56.100 0.015 0.000 1.042 1176 R CB -0.042 30.262 30.300 0.007 0.000 1.059 1176 R HN 0.275 nan 8.270 nan 0.000 0.530 1177 E N 0.696 120.906 120.200 0.017 0.000 2.465 1177 E HA 0.119 4.470 4.350 0.001 0.000 0.209 1177 E C -0.418 176.192 176.600 0.017 0.000 0.951 1177 E CA -0.334 56.074 56.400 0.013 0.000 0.997 1177 E CB 0.673 30.378 29.700 0.009 0.000 1.025 1177 E HN 0.032 nan 8.360 nan 0.000 0.500 1178 L N 2.506 123.745 121.223 0.027 0.000 2.305 1178 L HA 0.170 4.511 4.340 0.001 0.000 0.281 1178 L C -0.237 176.640 176.870 0.011 0.000 1.085 1178 L CA -0.348 54.507 54.840 0.024 0.000 0.813 1178 L CB 0.853 42.939 42.059 0.044 0.000 1.157 1178 L HN -0.200 nan 8.230 nan 0.000 0.436 1179 D N 3.800 124.202 120.400 0.004 0.000 2.487 1179 D HA -0.120 4.520 4.640 0.001 0.000 0.243 1179 D C 1.242 177.536 176.300 -0.009 0.000 1.154 1179 D CA 0.584 54.583 54.000 -0.002 0.000 0.876 1179 D CB 0.581 41.379 40.800 -0.003 0.000 1.161 1179 D HN 0.675 nan 8.370 nan 0.000 0.478 1180 I N 3.497 124.061 120.570 -0.010 0.000 2.567 1180 I HA -0.231 3.939 4.170 0.001 0.000 0.257 1180 I C 1.906 178.013 176.117 -0.018 0.000 1.184 1180 I CA 0.959 62.249 61.300 -0.017 0.000 1.451 1180 I CB 0.145 38.139 38.000 -0.011 0.000 1.089 1180 I HN 0.528 nan 8.210 nan 0.000 0.441 1181 A N -0.041 122.770 122.820 -0.014 0.000 2.019 1181 A HA -0.204 4.116 4.320 0.001 0.000 0.219 1181 A C 1.715 179.287 177.584 -0.021 0.000 1.164 1181 A CA 1.740 53.768 52.037 -0.015 0.000 0.644 1181 A CB -0.447 18.546 19.000 -0.012 0.000 0.805 1181 A HN 0.439 nan 8.150 nan 0.000 0.449 1182 D N -0.326 120.060 120.400 -0.025 0.000 2.363 1182 D HA 0.098 4.739 4.640 0.001 0.000 0.226 1182 D C 0.152 176.417 176.300 -0.059 0.000 1.020 1182 D CA 0.236 54.217 54.000 -0.032 0.000 0.892 1182 D CB -0.003 40.784 40.800 -0.022 0.000 0.900 1182 D HN 0.176 nan 8.370 nan 0.000 0.531 1183 V N 2.632 122.507 119.914 -0.066 0.000 2.530 1183 V HA 0.125 4.246 4.120 0.001 0.000 0.282 1183 V C -1.978 174.085 176.094 -0.052 0.000 1.048 1183 V CA -1.556 60.684 62.300 -0.101 0.000 0.997 1183 V CB 1.047 32.809 31.823 -0.102 0.000 0.987 1183 V HN -0.099 nan 8.190 nan 0.000 0.477 1184 P HA 0.157 nan 4.420 nan 0.000 0.264 1184 P C 0.970 178.250 177.300 -0.034 0.000 1.183 1184 P CA 1.447 64.514 63.100 -0.056 0.000 0.763 1184 P CB 0.454 32.102 31.700 -0.087 0.000 0.807 1185 G N 2.482 111.232 108.800 -0.083 0.000 2.199 1185 G HA2 -0.193 3.768 3.960 0.001 0.000 0.254 1185 G HA3 -0.193 3.768 3.960 0.001 0.000 0.254 1185 G C 0.031 174.882 174.900 -0.082 0.000 0.982 1185 G CA -0.431 44.586 45.100 -0.139 0.000 0.632 1185 G HN 0.491 nan 8.290 nan 0.000 0.529 1186 I N 2.457 123.008 120.570 -0.031 0.000 2.337 1186 I HA 0.534 4.705 4.170 0.001 0.000 0.285 1186 I C 1.198 177.300 176.117 -0.023 0.000 1.041 1186 I CA -0.274 61.017 61.300 -0.015 0.000 1.199 1186 I CB 0.193 38.199 38.000 0.010 0.000 1.370 1186 I HN 0.151 nan 8.210 nan 0.000 0.470 1187 G N 4.675 113.458 108.800 -0.028 0.000 2.531 1187 G HA2 0.211 4.172 3.960 0.001 0.000 0.281 1187 G HA3 0.211 4.172 3.960 0.001 0.000 0.281 1187 G C 0.630 175.518 174.900 -0.020 0.000 1.382 1187 G CA -0.420 44.665 45.100 -0.025 0.000 1.045 1187 G HN 0.568 nan 8.290 nan 0.000 0.533 1188 N N -0.990 117.699 118.700 -0.019 0.000 2.166 1188 N HA -0.110 4.631 4.740 0.001 0.000 0.186 1188 N C 2.027 177.528 175.510 -0.016 0.000 1.019 1188 N CA 0.813 53.853 53.050 -0.016 0.000 0.856 1188 N CB -0.071 38.408 38.487 -0.014 0.000 0.993 1188 N HN 0.316 nan 8.380 nan 0.000 0.426 1189 I N 0.240 120.800 120.570 -0.018 0.000 2.353 1189 I HA -0.151 4.020 4.170 0.001 0.000 0.248 1189 I C 2.045 178.151 176.117 -0.018 0.000 1.119 1189 I CA 1.282 62.572 61.300 -0.018 0.000 1.417 1189 I CB -0.526 37.462 38.000 -0.019 0.000 1.078 1189 I HN 0.108 nan 8.210 nan 0.000 0.421 1190 T N 0.309 114.851 114.554 -0.019 0.000 2.812 1190 T HA -0.060 4.291 4.350 0.001 0.000 0.264 1190 T C 2.076 176.768 174.700 -0.014 0.000 1.042 1190 T CA 1.275 63.364 62.100 -0.017 0.000 1.140 1190 T CB -0.374 68.484 68.868 -0.017 0.000 0.870 1190 T HN 0.397 nan 8.240 nan 0.000 0.445 1191 A N 1.442 124.254 122.820 -0.013 0.000 1.933 1191 A HA -0.127 4.194 4.320 0.001 0.000 0.218 1191 A C 2.184 179.762 177.584 -0.011 0.000 1.175 1191 A CA 1.947 53.977 52.037 -0.011 0.000 0.628 1191 A CB -0.527 18.466 19.000 -0.011 0.000 0.814 1191 A HN 0.454 nan 8.150 nan 0.000 0.444 1192 E N 0.169 120.362 120.200 -0.012 0.000 2.107 1192 E HA -0.100 4.251 4.350 0.001 0.000 0.191 1192 E C 1.903 178.496 176.600 -0.013 0.000 0.982 1192 E CA 1.493 57.886 56.400 -0.012 0.000 0.809 1192 E CB -0.189 29.504 29.700 -0.012 0.000 0.756 1192 E HN 0.605 nan 8.360 nan 0.000 0.459 1193 K N -0.305 120.086 120.400 -0.015 0.000 2.148 1193 K HA -0.051 4.270 4.320 0.001 0.000 0.204 1193 K C 2.053 178.642 176.600 -0.017 0.000 1.050 1193 K CA 1.110 57.386 56.287 -0.017 0.000 0.942 1193 K CB -0.065 32.423 32.500 -0.021 0.000 0.724 1193 K HN 0.193 nan 8.250 nan 0.000 0.446 1194 L N 0.430 121.644 121.223 -0.015 0.000 2.179 1194 L HA -0.117 4.224 4.340 0.001 0.000 0.208 1194 L C 2.239 179.103 176.870 -0.011 0.000 1.096 1194 L CA 0.905 55.737 54.840 -0.013 0.000 0.779 1194 L CB -0.145 41.909 42.059 -0.010 0.000 0.922 1194 L HN -0.021 nan 8.230 nan 0.000 0.443 1195 K N 0.284 120.678 120.400 -0.010 0.000 2.057 1195 K HA -0.128 4.193 4.320 0.001 0.000 0.207 1195 K C 2.016 178.611 176.600 -0.008 0.000 1.049 1195 K CA 1.195 57.477 56.287 -0.008 0.000 0.931 1195 K CB 0.101 32.597 32.500 -0.008 0.000 0.714 1195 K HN 0.087 nan 8.250 nan 0.000 0.440 1196 K N -0.180 120.214 120.400 -0.010 0.000 2.366 1196 K HA -0.038 4.282 4.320 0.001 0.000 0.198 1196 K C 1.492 178.086 176.600 -0.010 0.000 1.044 1196 K CA 0.523 56.804 56.287 -0.010 0.000 0.973 1196 K CB 0.088 32.582 32.500 -0.011 0.000 0.767 1196 K HN 0.091 nan 8.250 nan 0.000 0.475 1197 L N 0.078 121.294 121.223 -0.012 0.000 2.558 1197 L HA 0.113 4.454 4.340 0.001 0.000 0.225 1197 L C 1.105 177.969 176.870 -0.009 0.000 1.128 1197 L CA 1.192 56.025 54.840 -0.013 0.000 0.868 1197 L CB 0.074 42.122 42.059 -0.018 0.000 1.006 1197 L HN 0.451 nan 8.230 nan 0.000 0.454 1198 G N -0.547 108.249 108.800 -0.007 0.000 2.213 1198 G HA2 -0.246 3.715 3.960 0.001 0.000 0.226 1198 G HA3 -0.246 3.715 3.960 0.001 0.000 0.226 1198 G C 0.430 175.329 174.900 -0.003 0.000 0.992 1198 G CA 0.081 45.179 45.100 -0.004 0.000 0.632 1198 G HN 0.236 nan 8.290 nan 0.000 0.511 1199 I N 2.276 122.844 120.570 -0.004 0.000 2.363 1199 I HA 0.266 4.436 4.170 0.001 0.000 0.292 1199 I C 0.921 177.036 176.117 -0.003 0.000 1.075 1199 I CA -0.241 61.057 61.300 -0.002 0.000 1.333 1199 I CB 0.717 38.715 38.000 -0.003 0.000 1.415 1199 I HN 0.118 nan 8.210 nan 0.000 0.502 1200 N N 5.440 124.140 118.700 -0.001 0.000 2.210 1200 N HA 0.149 4.889 4.740 0.001 0.000 0.203 1200 N C -0.072 175.438 175.510 -0.001 0.000 1.175 1200 N CA 0.042 53.090 53.050 -0.002 0.000 0.894 1200 N CB 1.005 39.491 38.487 -0.002 0.000 1.041 1200 N HN 0.473 nan 8.380 nan 0.000 0.506 1201 K N 0.488 120.889 120.400 0.002 0.000 2.480 1201 K HA 0.358 4.678 4.320 0.001 0.000 0.258 1201 K C 1.020 177.623 176.600 0.005 0.000 0.990 1201 K CA -0.655 55.635 56.287 0.004 0.000 0.857 1201 K CB 1.686 34.191 32.500 0.008 0.000 1.384 1201 K HN -0.181 nan 8.250 nan 0.000 0.446 1202 L N 0.835 122.062 121.223 0.006 0.000 2.127 1202 L HA -0.164 4.177 4.340 0.001 0.000 0.211 1202 L C 2.192 179.070 176.870 0.014 0.000 1.089 1202 L CA 1.079 55.922 54.840 0.004 0.000 0.757 1202 L CB -0.169 41.898 42.059 0.013 0.000 0.899 1202 L HN 0.396 nan 8.230 nan 0.000 0.434 1203 V N -0.330 119.595 119.914 0.018 0.000 2.809 1203 V HA -0.216 3.904 4.120 0.001 0.000 0.256 1203 V C 1.718 177.821 176.094 0.016 0.000 1.080 1203 V CA 1.634 63.945 62.300 0.018 0.000 1.102 1203 V CB -0.353 31.479 31.823 0.015 0.000 0.705 1203 V HN 0.457 nan 8.190 nan 0.000 0.475 1204 D N 0.064 120.471 120.400 0.013 0.000 2.312 1204 D HA -0.105 4.535 4.640 0.001 0.000 0.211 1204 D C 2.141 178.451 176.300 0.016 0.000 0.964 1204 D CA 1.596 55.604 54.000 0.012 0.000 0.877 1204 D CB -0.090 40.715 40.800 0.007 0.000 0.924 1204 D HN 0.696 nan 8.370 nan 0.000 0.515 1205 T N -1.646 112.920 114.554 0.020 0.000 3.055 1205 T HA 0.035 4.386 4.350 0.001 0.000 0.265 1205 T C 2.167 176.896 174.700 0.049 0.000 1.111 1205 T CA 0.238 62.357 62.100 0.032 0.000 1.118 1205 T CB -0.184 68.704 68.868 0.033 0.000 0.909 1205 T HN 0.115 nan 8.240 nan 0.000 0.501 1206 L N 1.653 122.900 121.223 0.040 0.000 2.127 1206 L HA 0.067 4.408 4.340 0.001 0.000 0.203 1206 L C 3.180 180.073 176.870 0.038 0.000 1.080 1206 L CA 1.112 55.978 54.840 0.042 0.000 0.768 1206 L CB -0.672 41.405 42.059 0.030 0.000 0.924 1206 L HN 0.385 nan 8.230 nan 0.000 0.444 1207 S N 0.067 115.784 115.700 0.028 0.000 2.383 1207 S HA -0.106 4.365 4.470 0.001 0.000 0.227 1207 S C 1.032 175.648 174.600 0.028 0.000 1.026 1207 S CA 0.302 58.517 58.200 0.024 0.000 0.981 1207 S CB -0.488 62.722 63.200 0.017 0.000 0.818 1207 S HN 0.259 nan 8.310 nan 0.000 0.472 1208 I N 1.808 122.396 120.570 0.030 0.000 2.720 1208 I HA 0.177 4.348 4.170 0.001 0.000 0.287 1208 I C 0.198 176.345 176.117 0.050 0.000 1.090 1208 I CA -0.556 60.762 61.300 0.029 0.000 1.384 1208 I CB 1.031 39.042 38.000 0.017 0.000 1.420 1208 I HN 0.246 nan 8.210 nan 0.000 0.575 1209 E N 4.024 124.253 120.200 0.049 0.000 2.390 1209 E HA -0.007 4.344 4.350 0.001 0.000 0.261 1209 E C 0.106 176.770 176.600 0.107 0.000 1.076 1209 E CA 0.020 56.469 56.400 0.081 0.000 0.905 1209 E CB 0.829 30.567 29.700 0.063 0.000 0.984 1209 E HN 0.517 nan 8.360 nan 0.000 0.427 1210 F N 2.080 122.034 119.950 0.007 0.000 2.146 1210 F HA -0.172 4.356 4.527 0.001 0.000 0.298 1210 F C 1.743 177.548 175.800 0.009 0.000 1.096 1210 F CA 1.867 59.873 58.000 0.009 0.000 1.275 1210 F CB 0.040 39.045 39.000 0.010 0.000 1.008 1210 F HN 0.568 nan 8.300 nan 0.000 0.480 1211 D N -0.034 120.382 120.400 0.026 0.000 2.178 1211 D HA -0.189 4.452 4.640 0.001 0.000 0.202 1211 D C 2.174 178.405 176.300 -0.115 0.000 0.974 1211 D CA 1.130 55.092 54.000 -0.063 0.000 0.841 1211 D CB -0.163 40.666 40.800 0.048 0.000 0.953 1211 D HN 0.272 nan 8.370 nan 0.000 0.478 1212 K N -0.609 119.747 120.400 -0.075 0.000 2.155 1212 K HA -0.068 4.253 4.320 0.001 0.000 0.203 1212 K C 1.853 178.391 176.600 -0.104 0.000 1.052 1212 K CA 0.505 56.752 56.287 -0.067 0.000 0.948 1212 K CB -0.055 32.426 32.500 -0.032 0.000 0.728 1212 K HN 0.111 nan 8.250 nan 0.000 0.448 1213 L N 1.259 122.388 121.223 -0.157 0.000 2.240 1213 L HA -0.017 4.324 4.340 0.001 0.000 0.211 1213 L C 2.004 178.720 176.870 -0.256 0.000 1.106 1213 L CA 1.548 56.279 54.840 -0.181 0.000 0.793 1213 L CB -0.242 41.713 42.059 -0.173 0.000 0.927 1213 L HN 0.039 nan 8.230 nan 0.000 0.446 1214 K N -0.856 119.313 120.400 -0.385 0.000 2.062 1214 K HA -0.062 4.258 4.320 0.001 0.000 0.205 1214 K C 1.893 178.384 176.600 -0.182 0.000 1.051 1214 K CA 1.136 57.199 56.287 -0.373 0.000 0.941 1214 K CB -0.372 31.837 32.500 -0.486 0.000 0.719 1214 K HN 0.440 nan 8.250 nan 0.000 0.440 1215 G N 0.943 109.661 108.800 -0.138 0.000 2.448 1215 G HA2 -0.218 3.743 3.960 0.001 0.000 0.218 1215 G HA3 -0.218 3.743 3.960 0.001 0.000 0.218 1215 G C 1.309 176.168 174.900 -0.068 0.000 1.135 1215 G CA 0.535 45.586 45.100 -0.082 0.000 0.784 1215 G HN 0.236 nan 8.290 nan 0.000 0.543 1216 M N 0.769 120.323 119.600 -0.077 0.000 2.191 1216 M HA 0.245 4.726 4.480 0.001 0.000 0.262 1216 M C 2.119 178.387 176.300 -0.053 0.000 1.083 1216 M CA 1.212 56.478 55.300 -0.057 0.000 1.154 1216 M CB -0.095 32.472 32.600 -0.055 0.000 1.344 1216 M HN 0.337 nan 8.290 nan 0.000 0.431 1217 I N -3.120 117.411 120.570 -0.064 0.000 4.154 1217 I HA 0.584 4.754 4.170 0.001 0.000 0.334 1217 I C 0.670 176.757 176.117 -0.050 0.000 1.371 1217 I CA -0.013 61.257 61.300 -0.049 0.000 1.110 1217 I CB -0.295 37.682 38.000 -0.039 0.000 1.085 1217 I HN 0.340 nan 8.210 nan 0.000 0.398 1218 G N 1.994 110.755 108.800 -0.066 0.000 2.746 1218 G HA2 -0.236 3.725 3.960 0.001 0.000 0.685 1218 G HA3 -0.236 3.725 3.960 0.001 0.000 0.685 1218 G C 0.104 174.968 174.900 -0.061 0.000 1.350 1218 G CA 0.199 45.267 45.100 -0.055 0.000 0.837 1218 G HN 0.436 nan 8.290 nan 0.000 0.564 1219 E N 0.016 120.199 120.200 -0.027 0.000 2.047 1219 E HA 0.001 4.352 4.350 0.001 0.000 0.191 1219 E C 2.895 179.538 176.600 0.073 0.000 0.987 1219 E CA 1.838 58.253 56.400 0.025 0.000 0.799 1219 E CB -0.239 29.505 29.700 0.072 0.000 0.752 1219 E HN 1.023 nan 8.360 nan 0.000 0.449 1220 A N 1.411 124.260 122.820 0.048 0.000 1.883 1220 A HA -0.210 4.111 4.320 0.001 0.000 0.217 1220 A C 2.049 179.685 177.584 0.086 0.000 1.186 1220 A CA 1.715 53.786 52.037 0.058 0.000 0.624 1220 A CB -0.371 18.634 19.000 0.009 0.000 0.822 1220 A HN 0.124 nan 8.150 nan 0.000 0.444 1221 K N -0.549 119.881 120.400 0.050 0.000 2.217 1221 K HA 0.060 4.380 4.320 0.001 0.000 0.202 1221 K C 2.273 178.957 176.600 0.140 0.000 1.051 1221 K CA 0.818 57.158 56.287 0.088 0.000 0.952 1221 K CB -0.232 32.282 32.500 0.025 0.000 0.736 1221 K HN 0.449 nan 8.250 nan 0.000 0.453 1222 A N 2.022 124.887 122.820 0.075 0.000 1.873 1222 A HA -0.171 4.150 4.320 0.001 0.000 0.215 1222 A C 1.920 179.628 177.584 0.205 0.000 1.186 1222 A CA 1.420 53.492 52.037 0.059 0.000 0.616 1222 A CB -0.211 18.700 19.000 -0.148 0.000 0.823 1222 A HN 0.156 nan 8.150 nan 0.000 0.442 1223 K N -1.834 118.727 120.400 0.268 0.000 2.097 1223 K HA -0.112 4.209 4.320 0.001 0.000 0.205 1223 K C 1.969 178.709 176.600 0.234 0.000 1.050 1223 K CA 1.482 57.937 56.287 0.281 0.000 0.938 1223 K CB -0.332 32.312 32.500 0.239 0.000 0.718 1223 K HN 0.629 nan 8.250 nan 0.000 0.442 1224 Y N 1.836 122.202 120.300 0.111 0.000 2.114 1224 Y HA -0.203 4.348 4.550 0.001 0.000 0.284 1224 Y C 1.791 177.736 175.900 0.075 0.000 1.143 1224 Y CA 1.399 59.565 58.100 0.110 0.000 1.135 1224 Y CB -0.337 38.163 38.460 0.066 0.000 0.980 1224 Y HN -0.099 nan 8.280 nan 0.000 0.499 1225 L N -0.210 121.020 121.223 0.011 0.000 2.046 1225 L HA -0.237 4.104 4.340 0.001 0.000 0.208 1225 L C 2.513 179.347 176.870 -0.059 0.000 1.077 1225 L CA 1.550 56.324 54.840 -0.109 0.000 0.747 1225 L CB -0.550 41.522 42.059 0.020 0.000 0.896 1225 L HN 0.304 nan 8.230 nan 0.000 0.432 1226 I N -1.175 119.420 120.570 0.041 0.000 2.394 1226 I HA -0.275 3.896 4.170 0.001 0.000 0.251 1226 I C 2.783 178.927 176.117 0.044 0.000 1.136 1226 I CA 1.026 62.366 61.300 0.066 0.000 1.425 1226 I CB -0.135 37.951 38.000 0.144 0.000 1.079 1226 I HN 0.211 nan 8.210 nan 0.000 0.425 1227 S N 0.905 116.632 115.700 0.046 0.000 2.368 1227 S HA -0.113 4.358 4.470 0.001 0.000 0.224 1227 S C 2.027 176.665 174.600 0.065 0.000 1.029 1227 S CA 1.239 59.478 58.200 0.066 0.000 0.988 1227 S CB -0.179 63.094 63.200 0.122 0.000 0.838 1227 S HN 0.318 nan 8.310 nan 0.000 0.462 1228 L N 0.932 122.139 121.223 -0.027 0.000 2.093 1228 L HA -0.005 4.335 4.340 0.001 0.000 0.208 1228 L C 2.833 179.750 176.870 0.079 0.000 1.085 1228 L CA 1.139 55.971 54.840 -0.014 0.000 0.755 1228 L CB -0.553 41.328 42.059 -0.297 0.000 0.904 1228 L HN 0.382 nan 8.230 nan 0.000 0.435 1229 A N -0.037 122.800 122.820 0.029 0.000 2.015 1229 A HA -0.146 4.175 4.320 0.001 0.000 0.219 1229 A C 2.273 179.883 177.584 0.043 0.000 1.163 1229 A CA 1.159 53.222 52.037 0.044 0.000 0.646 1229 A CB -0.363 18.653 19.000 0.026 0.000 0.806 1229 A HN 0.328 nan 8.150 nan 0.000 0.448 1230 R N -1.073 119.453 120.500 0.043 0.000 2.313 1230 R HA 0.034 4.375 4.340 0.001 0.000 0.199 1230 R C -0.166 176.155 176.300 0.034 0.000 0.958 1230 R CA 0.521 56.641 56.100 0.033 0.000 1.047 1230 R CB 0.112 30.430 30.300 0.029 0.000 0.955 1230 R HN 0.382 nan 8.270 nan 0.000 0.481 1231 D N 0.597 121.029 120.400 0.054 0.000 2.809 1231 D HA -0.159 4.482 4.640 0.001 0.000 0.234 1231 D C -0.188 176.151 176.300 0.064 0.000 1.111 1231 D CA 0.919 54.947 54.000 0.046 0.000 0.726 1231 D CB -0.907 39.892 40.800 -0.001 0.000 1.089 1231 D HN 0.490 nan 8.370 nan 0.000 0.436 1232 E N -1.156 119.101 120.200 0.096 0.000 2.571 1232 E HA 0.013 4.364 4.350 0.001 0.000 0.222 1232 E C 0.366 177.029 176.600 0.105 0.000 0.904 1232 E CA -0.467 55.978 56.400 0.076 0.000 1.157 1232 E CB 0.662 30.389 29.700 0.046 0.000 1.158 1232 E HN 0.408 nan 8.360 nan 0.000 0.540 1233 Y N 3.153 123.470 120.300 0.029 0.000 2.620 1233 Y HA -0.049 4.502 4.550 0.001 0.000 0.330 1233 Y C 0.122 176.046 175.900 0.040 0.000 1.186 1233 Y CA 0.798 58.911 58.100 0.022 0.000 1.467 1233 Y CB 0.184 38.639 38.460 -0.008 0.000 1.262 1233 Y HN 0.057 nan 8.280 nan 0.000 0.550 1234 N N 2.523 121.025 118.700 -0.331 0.000 2.609 1234 N HA 0.059 4.799 4.740 0.001 0.000 0.251 1234 N C -1.831 173.491 175.510 -0.314 0.000 1.526 1234 N CA -0.647 52.294 53.050 -0.182 0.000 0.931 1234 N CB 0.192 38.650 38.487 -0.049 0.000 1.460 1234 N HN 0.330 nan 8.380 nan 0.000 0.526 1235 E N 2.339 122.165 120.200 -0.623 0.000 2.376 1235 E HA 0.149 4.499 4.350 0.001 0.000 0.266 1235 E C -1.944 174.557 176.600 -0.165 0.000 1.009 1235 E CA -1.140 55.027 56.400 -0.388 0.000 0.902 1235 E CB 0.730 30.177 29.700 -0.422 0.000 0.972 1235 E HN 0.435 nan 8.360 nan 0.000 0.439 1236 P HA 0.176 nan 4.420 nan 0.000 0.274 1236 P C -0.063 177.214 177.300 -0.039 0.000 1.231 1236 P CA -0.526 62.543 63.100 -0.051 0.000 0.790 1236 P CB 0.644 32.321 31.700 -0.038 0.000 0.951 1237 I N 2.695 123.262 120.570 -0.005 0.000 2.587 1237 I HA 0.054 4.225 4.170 0.001 0.000 0.284 1237 I C 1.422 177.552 176.117 0.022 0.000 1.134 1237 I CA 0.684 61.995 61.300 0.018 0.000 1.410 1237 I CB -0.333 37.711 38.000 0.074 0.000 1.392 1237 I HN 0.361 nan 8.210 nan 0.000 0.545 1238 R N 2.803 123.315 120.500 0.019 0.000 2.795 1238 R HA 0.634 4.975 4.340 0.001 0.000 0.275 1238 R C -0.883 175.441 176.300 0.039 0.000 0.981 1238 R CA -0.841 55.272 56.100 0.022 0.000 0.917 1238 R CB 0.763 31.066 30.300 0.005 0.000 1.202 1238 R HN 0.339 nan 8.270 nan 0.000 0.469 1239 T N 2.669 117.247 114.554 0.039 0.000 2.817 1239 T HA 0.105 4.456 4.350 0.001 0.000 0.295 1239 T C 0.129 174.854 174.700 0.042 0.000 0.958 1239 T CA -0.044 62.083 62.100 0.046 0.000 1.157 1239 T CB 0.155 69.047 68.868 0.040 0.000 0.898 1239 T HN 0.264 nan 8.240 nan 0.000 0.536 1240 R N 2.264 122.795 120.500 0.051 0.000 2.340 1240 R HA 0.422 4.763 4.340 0.001 0.000 0.300 1240 R C -0.626 175.704 176.300 0.050 0.000 1.069 1240 R CA -0.478 55.651 56.100 0.047 0.000 0.984 1240 R CB 0.833 31.167 30.300 0.056 0.000 1.003 1240 R HN 0.364 nan 8.270 nan 0.000 0.459 1241 V N 4.154 124.096 119.914 0.047 0.000 2.398 1241 V HA 0.228 4.349 4.120 0.001 0.000 0.286 1241 V C 0.271 176.411 176.094 0.077 0.000 1.026 1241 V CA -0.846 61.491 62.300 0.062 0.000 0.868 1241 V CB 1.476 33.334 31.823 0.058 0.000 0.982 1241 V HN 0.637 nan 8.190 nan 0.000 0.443 1242 R N 3.804 124.369 120.500 0.108 0.000 2.473 1242 R HA 0.075 4.416 4.340 0.001 0.000 0.315 1242 R C 0.968 177.399 176.300 0.217 0.000 0.972 1242 R CA 0.659 56.849 56.100 0.151 0.000 1.047 1242 R CB 0.168 30.565 30.300 0.162 0.000 0.932 1242 R HN 0.643 nan 8.270 nan 0.000 0.411 1243 K N 1.237 121.687 120.400 0.083 0.000 2.334 1243 K HA 0.083 4.403 4.320 0.001 0.000 0.195 1243 K C -0.145 176.247 176.600 -0.346 0.000 1.045 1243 K CA 0.605 56.817 56.287 -0.124 0.000 1.004 1243 K CB 0.556 32.983 32.500 -0.121 0.000 0.837 1243 K HN 0.704 nan 8.250 nan 0.000 0.510 1244 S N 0.117 115.800 115.700 -0.029 0.000 2.537 1244 S HA 0.532 5.003 4.470 0.001 0.000 0.270 1244 S C -1.078 173.675 174.600 0.255 0.000 1.142 1244 S CA -1.059 57.170 58.200 0.050 0.000 0.870 1244 S CB 1.705 64.866 63.200 -0.064 0.000 1.112 1244 S HN -0.096 nan 8.310 nan 0.000 0.466 1245 I N 1.497 122.277 120.570 0.351 0.000 2.608 1245 I HA 0.876 5.047 4.170 0.001 0.000 0.295 1245 I C 0.644 176.903 176.117 0.236 0.000 1.049 1245 I CA -0.209 61.240 61.300 0.249 0.000 1.063 1245 I CB 1.490 39.608 38.000 0.198 0.000 1.248 1245 I HN 1.148 nan 8.210 nan 0.000 0.424 1246 G N 4.037 112.942 108.800 0.175 0.000 2.645 1246 G HA2 0.728 4.688 3.960 0.001 0.000 0.292 1246 G HA3 0.728 4.688 3.960 0.001 0.000 0.292 1246 G C -1.774 173.212 174.900 0.144 0.000 1.415 1246 G CA -0.638 44.557 45.100 0.157 0.000 0.785 1246 G HN 0.509 nan 8.290 nan 0.000 0.483 1247 R N -0.772 119.806 120.500 0.130 0.000 2.522 1247 R HA 0.652 4.993 4.340 0.001 0.000 0.273 1247 R C -2.142 174.220 176.300 0.103 0.000 1.133 1247 R CA -0.584 55.590 56.100 0.125 0.000 0.969 1247 R CB 1.223 31.615 30.300 0.154 0.000 1.235 1247 R HN 0.803 nan 8.270 nan 0.000 0.433 1248 I N 5.152 125.774 120.570 0.086 0.000 2.533 1248 I HA 0.729 4.899 4.170 0.001 0.000 0.290 1248 I C -1.170 174.989 176.117 0.069 0.000 1.056 1248 I CA -0.899 60.443 61.300 0.070 0.000 1.057 1248 I CB 1.980 40.008 38.000 0.045 0.000 1.240 1248 I HN 0.569 nan 8.210 nan 0.000 0.423 1249 V N 2.345 122.298 119.914 0.065 0.000 2.914 1249 V HA 0.651 4.772 4.120 0.001 0.000 0.314 1249 V C -0.267 175.819 176.094 -0.014 0.000 1.084 1249 V CA -0.398 61.937 62.300 0.060 0.000 0.963 1249 V CB 1.638 33.536 31.823 0.125 0.000 1.025 1249 V HN 0.711 nan 8.190 nan 0.000 0.432 1250 T N 5.530 120.070 114.554 -0.024 0.000 2.780 1250 T HA 0.498 4.848 4.350 0.001 0.000 0.294 1250 T C 0.169 174.742 174.700 -0.211 0.000 0.949 1250 T CA -0.140 61.905 62.100 -0.092 0.000 1.074 1250 T CB 0.586 69.434 68.868 -0.033 0.000 0.910 1250 T HN 0.701 nan 8.240 nan 0.000 0.501 1251 M N 2.459 121.809 119.600 -0.417 0.000 2.202 1251 M HA 0.271 4.752 4.480 0.001 0.000 0.316 1251 M C 1.652 177.765 176.300 -0.311 0.000 1.138 1251 M CA -0.597 54.247 55.300 -0.760 0.000 1.151 1251 M CB 0.536 32.579 32.600 -0.928 0.000 1.422 1251 M HN 0.403 nan 8.290 nan 0.000 0.471 1252 K N 1.018 121.325 120.400 -0.155 0.000 2.211 1252 K HA -0.050 4.270 4.320 0.001 0.000 0.203 1252 K C 0.144 176.660 176.600 -0.141 0.000 1.050 1252 K CA 1.193 57.426 56.287 -0.089 0.000 0.945 1252 K CB 0.210 32.724 32.500 0.024 0.000 0.732 1252 K HN 0.673 nan 8.250 nan 0.000 0.451 1253 R N -1.041 119.392 120.500 -0.111 0.000 2.680 1253 R HA 0.365 4.706 4.340 0.001 0.000 0.269 1253 R C -1.254 174.998 176.300 -0.079 0.000 1.026 1253 R CA -0.956 55.096 56.100 -0.081 0.000 0.889 1253 R CB 0.422 30.699 30.300 -0.040 0.000 1.241 1253 R HN -0.251 nan 8.270 nan 0.000 0.463 1254 N N 0.587 119.259 118.700 -0.047 0.000 2.441 1254 N HA 0.226 4.967 4.740 0.001 0.000 0.251 1254 N C -0.925 174.565 175.510 -0.033 0.000 1.242 1254 N CA 0.227 53.251 53.050 -0.042 0.000 0.898 1254 N CB 1.261 39.738 38.487 -0.017 0.000 1.100 1254 N HN 0.599 nan 8.380 nan 0.000 0.443 1255 S N -0.217 115.462 115.700 -0.035 0.000 2.552 1255 S HA 0.466 4.937 4.470 0.001 0.000 0.272 1255 S C -0.839 173.751 174.600 -0.017 0.000 1.150 1255 S CA -0.884 57.304 58.200 -0.021 0.000 0.849 1255 S CB 0.729 63.917 63.200 -0.019 0.000 1.113 1255 S HN 0.699 nan 8.310 nan 0.000 0.458 1256 R N 2.040 122.536 120.500 -0.007 0.000 2.616 1256 R HA 0.332 4.672 4.340 0.001 0.000 0.427 1256 R C -0.175 176.125 176.300 -0.001 0.000 1.030 1256 R CA -0.651 55.446 56.100 -0.005 0.000 1.133 1256 R CB -0.173 30.125 30.300 -0.003 0.000 1.444 1256 R HN 0.401 nan 8.270 nan 0.000 0.578 1257 N N 1.737 120.438 118.700 0.001 0.000 2.422 1257 N HA 0.031 4.771 4.740 0.001 0.000 0.264 1257 N C 0.680 176.190 175.510 0.000 0.000 1.063 1257 N CA -0.174 52.877 53.050 0.003 0.000 0.959 1257 N CB 1.559 40.049 38.487 0.005 0.000 1.087 1257 N HN 0.142 nan 8.380 nan 0.000 0.483 1258 L N 4.499 125.721 121.223 -0.003 0.000 2.012 1258 L HA -0.105 4.235 4.340 0.001 0.000 0.210 1258 L C 1.942 178.793 176.870 -0.032 0.000 1.073 1258 L CA 1.870 56.704 54.840 -0.011 0.000 0.748 1258 L CB -0.392 41.665 42.059 -0.003 0.000 0.891 1258 L HN 0.611 nan 8.230 nan 0.000 0.431 1259 E N -0.450 119.734 120.200 -0.026 0.000 2.204 1259 E HA -0.233 4.117 4.350 0.001 0.000 0.194 1259 E C 2.113 178.689 176.600 -0.041 0.000 0.989 1259 E CA 1.100 57.474 56.400 -0.042 0.000 0.824 1259 E CB -0.014 29.672 29.700 -0.024 0.000 0.756 1259 E HN 0.630 nan 8.360 nan 0.000 0.477 1260 E N -0.572 119.625 120.200 -0.005 0.000 2.158 1260 E HA -0.070 4.280 4.350 0.001 0.000 0.191 1260 E C 1.737 178.401 176.600 0.106 0.000 0.982 1260 E CA 0.665 57.088 56.400 0.037 0.000 0.823 1260 E CB 0.051 29.780 29.700 0.049 0.000 0.766 1260 E HN 0.279 nan 8.360 nan 0.000 0.468 1261 I N 0.425 121.036 120.570 0.069 0.000 2.584 1261 I HA -0.144 4.027 4.170 0.001 0.000 0.255 1261 I C 2.305 178.452 176.117 0.050 0.000 1.145 1261 I CA 0.517 61.887 61.300 0.117 0.000 1.462 1261 I CB -0.036 37.982 38.000 0.030 0.000 1.102 1261 I HN -0.019 nan 8.210 nan 0.000 0.433 1262 K N 1.023 121.339 120.400 -0.138 0.000 2.020 1262 K HA -0.177 4.144 4.320 0.001 0.000 0.212 1262 K C -0.545 175.704 176.600 -0.585 0.000 1.050 1262 K CA 1.920 57.925 56.287 -0.470 0.000 0.929 1262 K CB -1.157 30.985 32.500 -0.596 0.000 0.714 1262 K HN 0.239 nan 8.250 nan 0.000 0.443 1263 P HA -0.202 nan 4.420 nan 0.000 0.216 1263 P C 0.957 178.172 177.300 -0.142 0.000 1.153 1263 P CA 1.613 64.568 63.100 -0.242 0.000 0.858 1263 P CB -0.131 31.396 31.700 -0.290 0.000 0.789 1264 Y N -0.531 119.748 120.300 -0.035 0.000 2.145 1264 Y HA -0.131 4.419 4.550 0.001 0.000 0.286 1264 Y C 2.550 178.492 175.900 0.071 0.000 1.145 1264 Y CA 0.825 58.938 58.100 0.021 0.000 1.148 1264 Y CB -1.463 36.997 38.460 0.001 0.000 0.981 1264 Y HN -0.139 nan 8.280 nan 0.000 0.507 1265 L N -1.134 120.214 121.223 0.208 0.000 2.083 1265 L HA -0.184 4.156 4.340 0.001 0.000 0.209 1265 L C 1.856 178.965 176.870 0.399 0.000 1.083 1265 L CA 1.693 56.670 54.840 0.229 0.000 0.752 1265 L CB -0.860 41.297 42.059 0.162 0.000 0.899 1265 L HN 0.060 nan 8.230 nan 0.000 0.433 1266 F N 0.103 120.164 119.950 0.184 0.000 2.206 1266 F HA -0.008 4.520 4.527 0.001 0.000 0.298 1266 F C 2.637 178.561 175.800 0.206 0.000 1.090 1266 F CA 0.935 59.094 58.000 0.266 0.000 1.323 1266 F CB -0.932 38.270 39.000 0.336 0.000 1.028 1266 F HN 0.118 nan 8.300 nan 0.000 0.492 1267 R N -0.101 120.601 120.500 0.336 0.000 2.148 1267 R HA -0.046 4.294 4.340 0.001 0.000 0.227 1267 R C 2.291 178.710 176.300 0.198 0.000 1.103 1267 R CA 1.019 57.247 56.100 0.214 0.000 0.983 1267 R CB -0.510 29.869 30.300 0.133 0.000 0.874 1267 R HN 0.200 nan 8.270 nan 0.000 0.451 1268 A N 1.057 124.010 122.820 0.221 0.000 1.929 1268 A HA -0.089 4.232 4.320 0.001 0.000 0.216 1268 A C 2.072 179.799 177.584 0.239 0.000 1.176 1268 A CA 0.963 53.123 52.037 0.206 0.000 0.628 1268 A CB -0.281 18.834 19.000 0.191 0.000 0.816 1268 A HN 0.146 nan 8.150 nan 0.000 0.444 1269 I N -0.556 120.157 120.570 0.240 0.000 2.202 1269 I HA -0.184 3.987 4.170 0.001 0.000 0.242 1269 I C 2.474 178.716 176.117 0.208 0.000 1.091 1269 I CA 1.075 62.529 61.300 0.257 0.000 1.368 1269 I CB -0.268 37.723 38.000 -0.015 0.000 1.058 1269 I HN 0.253 nan 8.210 nan 0.000 0.410 1270 E N 0.878 121.155 120.200 0.129 0.000 2.085 1270 E HA -0.249 4.102 4.350 0.001 0.000 0.194 1270 E C 2.048 178.760 176.600 0.187 0.000 0.994 1270 E CA 1.417 57.900 56.400 0.137 0.000 0.801 1270 E CB -0.179 29.608 29.700 0.146 0.000 0.743 1270 E HN 0.562 nan 8.360 nan 0.000 0.453 1271 E N 0.088 120.398 120.200 0.183 0.000 2.107 1271 E HA -0.055 4.295 4.350 0.001 0.000 0.191 1271 E C 2.181 178.924 176.600 0.238 0.000 0.982 1271 E CA 0.745 57.255 56.400 0.184 0.000 0.809 1271 E CB 0.055 29.841 29.700 0.143 0.000 0.756 1271 E HN 0.024 nan 8.360 nan 0.000 0.459 1272 S N 0.095 115.945 115.700 0.250 0.000 2.383 1272 S HA -0.133 4.337 4.470 0.001 0.000 0.227 1272 S C 1.637 176.265 174.600 0.047 0.000 1.026 1272 S CA 0.924 59.258 58.200 0.224 0.000 0.981 1272 S CB -0.210 63.252 63.200 0.436 0.000 0.818 1272 S HN 0.317 nan 8.310 nan 0.000 0.472 1273 Y N -0.177 120.106 120.300 -0.028 0.000 2.263 1273 Y HA -0.104 4.447 4.550 0.001 0.000 0.292 1273 Y C 2.250 178.128 175.900 -0.037 0.000 1.130 1273 Y CA 1.313 59.337 58.100 -0.127 0.000 1.179 1273 Y CB -0.425 37.939 38.460 -0.161 0.000 0.998 1273 Y HN 0.344 nan 8.280 nan 0.000 0.532 1274 Y N 1.158 121.503 120.300 0.075 0.000 2.128 1274 Y HA -0.296 4.254 4.550 0.001 0.000 0.284 1274 Y C 2.019 177.911 175.900 -0.014 0.000 1.154 1274 Y CA 1.887 60.005 58.100 0.029 0.000 1.149 1274 Y CB -0.295 38.189 38.460 0.039 0.000 0.976 1274 Y HN -0.067 nan 8.280 nan 0.000 0.505 1275 K N -0.055 120.344 120.400 -0.002 0.000 2.217 1275 K HA -0.065 4.256 4.320 0.001 0.000 0.202 1275 K C 2.031 178.516 176.600 -0.192 0.000 1.051 1275 K CA 1.074 57.296 56.287 -0.108 0.000 0.952 1275 K CB -0.146 32.390 32.500 0.060 0.000 0.736 1275 K HN 0.366 nan 8.250 nan 0.000 0.453 1276 L N 0.930 122.013 121.223 -0.234 0.000 2.046 1276 L HA -0.160 4.180 4.340 0.001 0.000 0.208 1276 L C 0.244 176.916 176.870 -0.331 0.000 1.077 1276 L CA 0.683 55.309 54.840 -0.357 0.000 0.747 1276 L CB -0.488 41.250 42.059 -0.534 0.000 0.896 1276 L HN 0.327 nan 8.230 nan 0.000 0.432 1277 D N 0.654 120.890 120.400 -0.273 0.000 3.218 1277 D HA -0.247 4.394 4.640 0.001 0.000 0.213 1277 D C 0.616 176.794 176.300 -0.204 0.000 1.192 1277 D CA 0.718 54.578 54.000 -0.233 0.000 0.940 1277 D CB -0.148 40.493 40.800 -0.265 0.000 0.841 1277 D HN 0.306 nan 8.370 nan 0.000 0.391 1278 K N -0.448 119.848 120.400 -0.174 0.000 3.030 1278 K HA -0.224 4.097 4.320 0.001 0.000 0.384 1278 K C 0.494 176.981 176.600 -0.188 0.000 0.560 1278 K CA 1.386 57.585 56.287 -0.146 0.000 1.690 1278 K CB -1.427 31.001 32.500 -0.119 0.000 1.009 1278 K HN 0.606 nan 8.250 nan 0.000 0.444 1279 R N 1.629 121.950 120.500 -0.298 0.000 2.489 1279 R HA 0.219 4.560 4.340 0.001 0.000 0.287 1279 R C 0.303 176.376 176.300 -0.379 0.000 1.053 1279 R CA 0.028 55.875 56.100 -0.422 0.000 1.036 1279 R CB 0.295 30.096 30.300 -0.832 0.000 0.966 1279 R HN 0.039 nan 8.270 nan 0.000 0.432 1280 I N 5.918 126.368 120.570 -0.199 0.000 2.354 1280 I HA 0.275 4.445 4.170 0.001 0.000 0.286 1280 I C -2.075 174.087 176.117 0.076 0.000 1.007 1280 I CA -3.331 57.916 61.300 -0.088 0.000 1.167 1280 I CB 1.089 39.076 38.000 -0.022 0.000 1.320 1280 I HN 0.377 nan 8.210 nan 0.000 0.458 1281 P HA 0.334 nan 4.420 nan 0.000 0.281 1281 P C -0.149 177.271 177.300 0.201 0.000 1.249 1281 P CA -0.469 62.831 63.100 0.334 0.000 0.810 1281 P CB 1.638 33.575 31.700 0.395 0.000 1.008 1282 K N 0.303 120.817 120.400 0.189 0.000 2.358 1282 K HA 0.415 4.736 4.320 0.001 0.000 0.200 1282 K C 0.503 177.239 176.600 0.228 0.000 1.030 1282 K CA -0.027 56.353 56.287 0.155 0.000 1.097 1282 K CB 0.822 33.390 32.500 0.113 0.000 0.862 1282 K HN 0.494 nan 8.250 nan 0.000 0.534 1283 A N 1.495 124.456 122.820 0.234 0.000 2.435 1283 A HA 0.713 5.033 4.320 0.001 0.000 0.304 1283 A C -1.449 176.298 177.584 0.272 0.000 1.064 1283 A CA -0.672 51.497 52.037 0.220 0.000 0.727 1283 A CB 1.314 20.400 19.000 0.143 0.000 1.284 1283 A HN 0.213 nan 8.150 nan 0.000 0.415 1284 I N 1.625 122.311 120.570 0.192 0.000 2.571 1284 I HA 0.446 4.616 4.170 0.001 0.000 0.289 1284 I C -1.425 174.674 176.117 -0.029 0.000 1.115 1284 I CA -0.317 60.997 61.300 0.023 0.000 1.045 1284 I CB 1.456 39.504 38.000 0.081 0.000 1.238 1284 I HN 0.794 nan 8.210 nan 0.000 0.424 1285 H N 6.220 125.174 119.070 -0.195 0.000 2.529 1285 H HA 0.403 4.960 4.556 0.001 0.000 0.348 1285 H C -0.983 174.259 175.328 -0.142 0.000 1.079 1285 H CA -0.804 55.168 56.048 -0.127 0.000 1.198 1285 H CB 2.613 32.315 29.762 -0.100 0.000 1.521 1285 H HN 0.251 nan 8.280 nan 0.000 0.514 1286 V N 4.801 124.714 119.914 -0.001 0.000 2.432 1286 V HA 0.110 4.231 4.120 0.001 0.000 0.275 1286 V C 0.151 176.261 176.094 0.027 0.000 1.043 1286 V CA -0.465 61.839 62.300 0.006 0.000 0.925 1286 V CB 1.328 33.163 31.823 0.020 0.000 0.985 1286 V HN 0.418 nan 8.190 nan 0.000 0.466 1287 V N 4.458 124.386 119.914 0.023 0.000 2.495 1287 V HA 0.833 4.953 4.120 0.001 0.000 0.298 1287 V C 0.223 176.326 176.094 0.016 0.000 1.031 1287 V CA -0.502 61.812 62.300 0.023 0.000 0.871 1287 V CB 1.730 33.562 31.823 0.015 0.000 0.988 1287 V HN 0.960 nan 8.190 nan 0.000 0.432 1288 A N 4.304 127.130 122.820 0.010 0.000 2.343 1288 A HA 0.829 5.150 4.320 0.001 0.000 0.316 1288 A C -0.875 176.707 177.584 -0.004 0.000 1.104 1288 A CA -0.552 51.485 52.037 0.000 0.000 0.768 1288 A CB 1.661 20.660 19.000 -0.001 0.000 1.213 1288 A HN 0.641 nan 8.150 nan 0.000 0.456 1289 V N 3.327 123.236 119.914 -0.010 0.000 2.364 1289 V HA 0.408 4.529 4.120 0.001 0.000 0.272 1289 V C 1.058 177.143 176.094 -0.015 0.000 1.036 1289 V CA 0.078 62.372 62.300 -0.010 0.000 0.880 1289 V CB 0.848 32.666 31.823 -0.009 0.000 0.991 1289 V HN 1.108 nan 8.190 nan 0.000 0.460 1290 T N 1.346 115.893 114.554 -0.011 0.000 2.753 1290 T HA 0.228 4.578 4.350 0.001 0.000 0.309 1290 T C 1.098 175.792 174.700 -0.010 0.000 1.043 1290 T CA -0.272 61.822 62.100 -0.011 0.000 0.964 1290 T CB 0.752 69.616 68.868 -0.007 0.000 1.206 1290 T HN 0.641 nan 8.240 nan 0.000 0.528 1291 E N 0.865 121.060 120.200 -0.008 0.000 2.085 1291 E HA -0.159 4.192 4.350 0.001 0.000 0.194 1291 E C 1.263 177.863 176.600 0.000 0.000 0.994 1291 E CA 1.651 58.050 56.400 -0.003 0.000 0.801 1291 E CB -0.265 29.434 29.700 -0.000 0.000 0.743 1291 E HN 0.855 nan 8.360 nan 0.000 0.453 1292 D N -0.090 120.309 120.400 -0.001 0.000 2.336 1292 D HA 0.038 4.679 4.640 0.001 0.000 0.228 1292 D C 0.446 176.744 176.300 -0.002 0.000 1.120 1292 D CA -0.033 53.967 54.000 -0.001 0.000 0.839 1292 D CB -0.196 40.603 40.800 -0.002 0.000 0.932 1292 D HN 0.103 nan 8.370 nan 0.000 0.509 1293 L N -0.930 120.292 121.223 -0.002 0.000 4.089 1293 L HA -0.190 4.151 4.340 0.001 0.000 0.408 1293 L C -0.291 176.576 176.870 -0.004 0.000 1.184 1293 L CA 0.448 55.286 54.840 -0.003 0.000 0.947 1293 L CB -1.485 40.574 42.059 -0.001 0.000 2.066 1293 L HN 0.295 nan 8.230 nan 0.000 0.851 1294 D N 0.529 120.926 120.400 -0.004 0.000 2.329 1294 D HA 0.560 5.200 4.640 0.001 0.000 0.246 1294 D C 0.232 176.530 176.300 -0.004 0.000 1.111 1294 D CA -0.166 53.831 54.000 -0.005 0.000 0.941 1294 D CB 1.390 42.187 40.800 -0.004 0.000 1.169 1294 D HN 0.118 nan 8.370 nan 0.000 0.441 1295 I N 1.919 122.487 120.570 -0.004 0.000 2.330 1295 I HA 0.192 4.363 4.170 0.001 0.000 0.289 1295 I C -0.094 176.024 176.117 0.001 0.000 1.001 1295 I CA -0.717 60.582 61.300 -0.002 0.000 1.193 1295 I CB 1.925 39.923 38.000 -0.004 0.000 1.345 1295 I HN -0.097 nan 8.210 nan 0.000 0.461 1296 V N 6.439 126.356 119.914 0.004 0.000 2.555 1296 V HA 0.738 4.858 4.120 0.001 0.000 0.302 1296 V C -0.266 175.837 176.094 0.016 0.000 1.038 1296 V CA -0.011 62.293 62.300 0.007 0.000 0.887 1296 V CB 2.122 33.947 31.823 0.003 0.000 0.991 1296 V HN 0.855 nan 8.190 nan 0.000 0.434 1297 S N 6.242 121.959 115.700 0.027 0.000 2.569 1297 S HA 0.901 5.372 4.470 0.001 0.000 0.280 1297 S C -1.032 173.587 174.600 0.032 0.000 1.111 1297 S CA -0.955 57.274 58.200 0.049 0.000 0.887 1297 S CB 2.376 65.638 63.200 0.103 0.000 1.095 1297 S HN 0.750 nan 8.310 nan 0.000 0.476 1298 R N 0.173 120.673 120.500 -0.001 0.000 2.533 1298 R HA 0.788 5.129 4.340 0.001 0.000 0.288 1298 R C -0.120 176.063 176.300 -0.196 0.000 1.039 1298 R CA 0.228 56.283 56.100 -0.075 0.000 0.909 1298 R CB 1.801 32.074 30.300 -0.046 0.000 1.195 1298 R HN 1.157 nan 8.270 nan 0.000 0.438 1299 G N 1.194 109.759 108.800 -0.391 0.000 2.766 1299 G HA2 0.744 4.705 3.960 0.001 0.000 0.288 1299 G HA3 0.744 4.705 3.960 0.001 0.000 0.288 1299 G C -1.564 173.085 174.900 -0.419 0.000 1.408 1299 G CA -0.594 44.120 45.100 -0.642 0.000 0.852 1299 G HN 0.433 nan 8.290 nan 0.000 0.487 1300 R N -0.580 119.702 120.500 -0.363 0.000 2.579 1300 R HA 0.479 4.820 4.340 0.001 0.000 0.260 1300 R C -1.613 174.514 176.300 -0.289 0.000 1.103 1300 R CA -0.449 55.455 56.100 -0.326 0.000 0.942 1300 R CB 1.827 31.895 30.300 -0.387 0.000 1.251 1300 R HN 0.565 nan 8.270 nan 0.000 0.450 1301 T N 4.521 118.913 114.554 -0.271 0.000 2.771 1301 T HA 0.467 4.818 4.350 0.001 0.000 0.281 1301 T C -0.626 173.918 174.700 -0.260 0.000 0.982 1301 T CA -0.157 61.858 62.100 -0.142 0.000 0.978 1301 T CB 0.308 69.148 68.868 -0.047 0.000 0.930 1301 T HN 0.234 nan 8.240 nan 0.000 0.447 1302 F N 3.797 123.717 119.950 -0.049 0.000 2.403 1302 F HA 0.374 4.901 4.527 0.001 0.000 0.326 1302 F C -1.093 174.695 175.800 -0.020 0.000 1.081 1302 F CA -2.417 55.538 58.000 -0.075 0.000 1.041 1302 F CB 0.976 39.752 39.000 -0.373 0.000 1.234 1302 F HN 0.366 nan 8.300 nan 0.000 0.503 1303 P HA -0.036 nan 4.420 nan 0.000 0.249 1303 P C -0.655 176.821 177.300 0.294 0.000 1.241 1303 P CA 1.021 64.270 63.100 0.249 0.000 0.781 1303 P CB -0.239 31.599 31.700 0.231 0.000 1.088 1304 H N -2.786 116.384 119.070 0.168 0.000 2.960 1304 H HA 0.573 5.130 4.556 0.002 0.000 0.338 1304 H C -0.175 175.212 175.328 0.099 0.000 1.261 1304 H CA -1.045 55.065 56.048 0.104 0.000 1.136 1304 H CB 0.429 30.229 29.762 0.063 0.000 1.875 1304 H HN -0.150 nan 8.280 nan 0.000 0.550 1305 G N 0.345 109.188 108.800 0.071 0.000 2.491 1305 G HA2 0.387 4.348 3.960 0.001 0.000 0.242 1305 G HA3 0.387 4.348 3.960 0.001 0.000 0.242 1305 G C -0.161 174.683 174.900 -0.094 0.000 1.266 1305 G CA -0.619 44.485 45.100 0.007 0.000 0.844 1305 G HN 0.509 nan 8.290 nan 0.000 0.571 1306 I N 1.696 122.219 120.570 -0.079 0.000 2.312 1306 I HA 0.138 4.309 4.170 0.001 0.000 0.291 1306 I C 1.001 177.128 176.117 0.017 0.000 1.031 1306 I CA -0.200 61.030 61.300 -0.116 0.000 1.293 1306 I CB 1.331 39.340 38.000 0.016 0.000 1.403 1306 I HN 0.471 nan 8.210 nan 0.000 0.484 1307 S N 5.772 121.454 115.700 -0.030 0.000 2.593 1307 S HA 0.079 4.550 4.470 0.001 0.000 0.269 1307 S C 1.325 175.846 174.600 -0.133 0.000 1.334 1307 S CA -0.255 57.927 58.200 -0.031 0.000 1.015 1307 S CB 1.012 64.188 63.200 -0.041 0.000 0.912 1307 S HN 0.750 nan 8.310 nan 0.000 0.541 1308 K N 1.342 121.541 120.400 -0.335 0.000 2.103 1308 K HA -0.155 4.166 4.320 0.001 0.000 0.207 1308 K C 1.627 178.058 176.600 -0.282 0.000 1.048 1308 K CA 1.914 57.765 56.287 -0.727 0.000 0.930 1308 K CB -0.244 31.827 32.500 -0.716 0.000 0.716 1308 K HN 0.680 nan 8.250 nan 0.000 0.444 1309 E N -0.289 119.855 120.200 -0.094 0.000 2.077 1309 E HA -0.112 4.239 4.350 0.001 0.000 0.193 1309 E C 1.849 178.464 176.600 0.024 0.000 0.989 1309 E CA 1.691 58.106 56.400 0.025 0.000 0.800 1309 E CB -0.234 29.454 29.700 -0.020 0.000 0.746 1309 E HN 0.268 nan 8.360 nan 0.000 0.452 1310 T N 0.217 114.751 114.554 -0.033 0.000 2.833 1310 T HA -0.116 4.234 4.350 0.001 0.000 0.269 1310 T C 1.824 176.534 174.700 0.017 0.000 1.054 1310 T CA 1.105 63.183 62.100 -0.037 0.000 1.135 1310 T CB -0.245 68.534 68.868 -0.148 0.000 0.869 1310 T HN 0.270 nan 8.240 nan 0.000 0.466 1311 A N 0.471 123.300 122.820 0.014 0.000 1.873 1311 A HA -0.036 4.284 4.320 0.001 0.000 0.215 1311 A C 1.980 179.598 177.584 0.057 0.000 1.186 1311 A CA 1.181 53.293 52.037 0.125 0.000 0.616 1311 A CB -1.018 18.102 19.000 0.200 0.000 0.823 1311 A HN 0.472 nan 8.150 nan 0.000 0.442 1312 Y N 0.276 120.544 120.300 -0.053 0.000 2.081 1312 Y HA -0.231 4.319 4.550 0.001 0.000 0.280 1312 Y C 3.243 179.125 175.900 -0.029 0.000 1.163 1312 Y CA 1.727 59.707 58.100 -0.199 0.000 1.135 1312 Y CB -0.765 37.435 38.460 -0.433 0.000 0.970 1312 Y HN 0.364 nan 8.280 nan 0.000 0.498 1313 S N -0.563 115.238 115.700 0.169 0.000 2.348 1313 S HA -0.229 4.242 4.470 0.001 0.000 0.221 1313 S C 2.079 176.787 174.600 0.179 0.000 1.033 1313 S CA 1.613 59.906 58.200 0.154 0.000 1.010 1313 S CB -0.314 62.952 63.200 0.111 0.000 0.891 1313 S HN 0.462 nan 8.310 nan 0.000 0.442 1314 E N 1.127 121.442 120.200 0.192 0.000 2.150 1314 E HA -0.063 4.287 4.350 0.001 0.000 0.193 1314 E C 2.166 178.874 176.600 0.180 0.000 0.985 1314 E CA 1.424 57.953 56.400 0.215 0.000 0.814 1314 E CB -0.396 29.502 29.700 0.329 0.000 0.752 1314 E HN 0.651 nan 8.360 nan 0.000 0.466 1315 S N -1.056 114.762 115.700 0.196 0.000 2.402 1315 S HA -0.100 4.371 4.470 0.001 0.000 0.229 1315 S C 2.083 176.808 174.600 0.208 0.000 1.021 1315 S CA 1.048 59.361 58.200 0.189 0.000 0.974 1315 S CB -0.511 62.826 63.200 0.228 0.000 0.800 1315 S HN 0.114 nan 8.310 nan 0.000 0.484 1316 V N 2.303 122.375 119.914 0.263 0.000 2.343 1316 V HA -0.157 3.964 4.120 0.001 0.000 0.247 1316 V C 2.671 178.844 176.094 0.133 0.000 1.051 1316 V CA 2.148 64.580 62.300 0.219 0.000 1.036 1316 V CB -0.696 31.282 31.823 0.258 0.000 0.654 1316 V HN 0.513 nan 8.190 nan 0.000 0.451 1317 K N -0.482 119.992 120.400 0.123 0.000 2.097 1317 K HA -0.122 4.198 4.320 0.001 0.000 0.205 1317 K C 1.960 178.594 176.600 0.057 0.000 1.050 1317 K CA 1.045 57.382 56.287 0.083 0.000 0.938 1317 K CB -0.240 32.311 32.500 0.085 0.000 0.718 1317 K HN 0.214 nan 8.250 nan 0.000 0.442 1318 L N 0.526 121.784 121.223 0.059 0.000 2.109 1318 L HA -0.085 4.256 4.340 0.001 0.000 0.207 1318 L C 2.090 178.976 176.870 0.028 0.000 1.086 1318 L CA 1.155 56.009 54.840 0.025 0.000 0.760 1318 L CB -0.828 41.238 42.059 0.012 0.000 0.910 1318 L HN 0.151 nan 8.230 nan 0.000 0.437 1319 L N -0.532 120.721 121.223 0.050 0.000 2.046 1319 L HA -0.199 4.142 4.340 0.001 0.000 0.208 1319 L C 2.465 179.352 176.870 0.029 0.000 1.077 1319 L CA 1.685 56.549 54.840 0.041 0.000 0.747 1319 L CB -0.682 41.409 42.059 0.053 0.000 0.896 1319 L HN 0.329 nan 8.230 nan 0.000 0.432 1320 Q N -0.506 119.315 119.800 0.036 0.000 2.135 1320 Q HA -0.286 4.054 4.340 0.001 0.000 0.204 1320 Q C 2.287 178.298 176.000 0.017 0.000 0.981 1320 Q CA 2.058 57.877 55.803 0.027 0.000 0.856 1320 Q CB -0.189 28.570 28.738 0.035 0.000 0.902 1320 Q HN 0.517 nan 8.270 nan 0.000 0.425 1321 K N 0.671 121.080 120.400 0.015 0.000 2.097 1321 K HA -0.125 4.196 4.320 0.001 0.000 0.205 1321 K C 1.877 178.478 176.600 0.002 0.000 1.050 1321 K CA 0.858 57.148 56.287 0.004 0.000 0.938 1321 K CB 0.014 32.512 32.500 -0.004 0.000 0.718 1321 K HN 0.140 nan 8.250 nan 0.000 0.442 1322 I N 0.788 121.360 120.570 0.004 0.000 2.179 1322 I HA -0.281 3.890 4.170 0.001 0.000 0.242 1322 I C 1.827 177.946 176.117 0.003 0.000 1.088 1322 I CA 0.638 61.940 61.300 0.003 0.000 1.357 1322 I CB -0.172 37.831 38.000 0.005 0.000 1.051 1322 I HN 0.158 nan 8.210 nan 0.000 0.409 1323 L N 0.467 121.693 121.223 0.005 0.000 2.083 1323 L HA -0.199 4.141 4.340 0.001 0.000 0.209 1323 L C 2.364 179.236 176.870 0.003 0.000 1.083 1323 L CA 1.803 56.646 54.840 0.004 0.000 0.752 1323 L CB -1.185 40.877 42.059 0.006 0.000 0.899 1323 L HN 0.313 nan 8.230 nan 0.000 0.433 1324 E N -0.823 119.380 120.200 0.004 0.000 2.216 1324 E HA -0.123 4.228 4.350 0.001 0.000 0.192 1324 E C 1.384 177.985 176.600 0.001 0.000 0.988 1324 E CA 0.615 57.017 56.400 0.003 0.000 0.834 1324 E CB 0.136 29.839 29.700 0.004 0.000 0.772 1324 E HN 0.536 nan 8.360 nan 0.000 0.479 1325 E N 0.065 120.265 120.200 -0.000 0.000 2.498 1325 E HA 0.072 4.423 4.350 0.001 0.000 0.203 1325 E C -0.359 176.240 176.600 -0.002 0.000 1.013 1325 E CA -0.037 56.362 56.400 -0.002 0.000 0.927 1325 E CB 0.763 30.460 29.700 -0.004 0.000 1.012 1325 E HN -0.009 nan 8.360 nan 0.000 0.482 1326 D N 0.281 120.680 120.400 -0.001 0.000 2.970 1326 D HA 0.071 4.712 4.640 0.001 0.000 0.230 1326 D C -0.141 176.158 176.300 -0.001 0.000 1.276 1326 D CA -0.079 53.920 54.000 -0.001 0.000 0.910 1326 D CB 1.467 42.266 40.800 -0.002 0.000 1.590 1326 D HN -0.073 nan 8.370 nan 0.000 0.551 1327 E N 1.510 121.710 120.200 -0.001 0.000 2.447 1327 E HA 0.075 4.426 4.350 0.001 0.000 0.195 1327 E C 0.267 176.866 176.600 -0.002 0.000 1.028 1327 E CA 0.047 56.446 56.400 -0.001 0.000 0.876 1327 E CB 0.819 30.519 29.700 -0.001 0.000 0.885 1327 E HN 0.183 nan 8.360 nan 0.000 0.500 1328 R N 1.870 122.369 120.500 -0.002 0.000 2.694 1328 R HA 0.141 4.481 4.340 0.001 0.000 0.268 1328 R C 0.257 176.554 176.300 -0.005 0.000 1.061 1328 R CA 0.204 56.302 56.100 -0.003 0.000 1.133 1328 R CB 0.580 30.877 30.300 -0.004 0.000 1.020 1328 R HN -0.075 nan 8.270 nan 0.000 0.475 1329 K N 1.741 122.138 120.400 -0.006 0.000 2.219 1329 K HA 0.208 4.528 4.320 0.001 0.000 0.258 1329 K C 0.082 176.673 176.600 -0.016 0.000 1.008 1329 K CA -0.080 56.201 56.287 -0.010 0.000 0.928 1329 K CB 0.595 33.090 32.500 -0.009 0.000 0.983 1329 K HN 0.372 nan 8.250 nan 0.000 0.484 1330 I N 2.109 122.664 120.570 -0.025 0.000 2.359 1330 I HA 0.184 4.355 4.170 0.001 0.000 0.294 1330 I C 1.452 177.534 176.117 -0.057 0.000 0.987 1330 I CA -0.296 60.982 61.300 -0.036 0.000 1.225 1330 I CB 1.528 39.506 38.000 -0.037 0.000 1.366 1330 I HN 0.639 nan 8.210 nan 0.000 0.466 1331 R N 5.049 125.517 120.500 -0.054 0.000 2.087 1331 R HA 0.256 4.596 4.340 0.001 0.000 0.216 1331 R C 0.197 176.435 176.300 -0.104 0.000 1.114 1331 R CA 0.541 56.601 56.100 -0.067 0.000 1.002 1331 R CB 0.528 30.807 30.300 -0.034 0.000 0.903 1331 R HN 0.563 nan 8.270 nan 0.000 0.445 1332 R N 0.030 120.483 120.500 -0.078 0.000 2.750 1332 R HA 0.427 4.768 4.340 0.001 0.000 0.281 1332 R C -1.359 174.906 176.300 -0.057 0.000 0.972 1332 R CA -0.851 55.201 56.100 -0.080 0.000 0.912 1332 R CB 2.181 32.459 30.300 -0.037 0.000 1.187 1332 R HN -0.011 nan 8.270 nan 0.000 0.464 1333 I N 0.168 120.709 120.570 -0.049 0.000 2.647 1333 I HA 0.739 4.910 4.170 0.001 0.000 0.295 1333 I C -0.637 175.506 176.117 0.043 0.000 1.078 1333 I CA -0.138 61.161 61.300 -0.001 0.000 1.048 1333 I CB 2.410 40.411 38.000 0.002 0.000 1.239 1333 I HN 0.791 nan 8.210 nan 0.000 0.421 1334 G N 4.349 113.179 108.800 0.051 0.000 2.548 1334 G HA2 0.621 4.582 3.960 0.001 0.000 0.301 1334 G HA3 0.621 4.582 3.960 0.001 0.000 0.301 1334 G C -2.231 172.695 174.900 0.043 0.000 1.349 1334 G CA -0.333 44.807 45.100 0.065 0.000 0.792 1334 G HN 0.786 nan 8.290 nan 0.000 0.481 1335 V N -0.687 119.243 119.914 0.027 0.000 3.049 1335 V HA 0.936 5.057 4.120 0.001 0.000 0.309 1335 V C -1.176 174.844 176.094 -0.122 0.000 1.148 1335 V CA -1.000 61.250 62.300 -0.082 0.000 0.990 1335 V CB 2.257 34.014 31.823 -0.109 0.000 1.039 1335 V HN 1.064 nan 8.190 nan 0.000 0.430 1336 R N 3.672 124.011 120.500 -0.269 0.000 2.533 1336 R HA 0.610 4.951 4.340 0.001 0.000 0.288 1336 R C -2.241 173.864 176.300 -0.324 0.000 1.039 1336 R CA -0.383 55.610 56.100 -0.178 0.000 0.909 1336 R CB 1.511 31.752 30.300 -0.099 0.000 1.195 1336 R HN 0.573 nan 8.270 nan 0.000 0.438 1337 F N 2.471 122.477 119.950 0.093 0.000 2.443 1337 F HA 0.577 5.105 4.527 0.001 0.000 0.335 1337 F C 0.469 176.324 175.800 0.092 0.000 1.104 1337 F CA -0.081 57.990 58.000 0.120 0.000 1.013 1337 F CB 2.236 41.295 39.000 0.099 0.000 1.136 1337 F HN 0.684 nan 8.300 nan 0.000 0.470 1338 S N 0.560 116.343 115.700 0.138 0.000 2.819 1338 S HA 0.562 5.033 4.470 0.001 0.000 0.299 1338 S C -1.096 173.321 174.600 -0.306 0.000 1.192 1338 S CA -1.292 56.718 58.200 -0.316 0.000 0.847 1338 S CB 1.586 64.643 63.200 -0.238 0.000 1.224 1338 S HN 0.598 nan 8.310 nan 0.000 0.537 1339 K N 0.578 120.713 120.400 -0.440 0.000 3.653 1339 K HA -0.131 4.190 4.320 0.001 0.000 0.275 1339 K C -1.151 175.412 176.600 -0.061 0.000 0.962 1339 K CA 0.377 56.541 56.287 -0.204 0.000 0.773 1339 K CB -2.032 30.438 32.500 -0.050 0.000 1.463 1339 K HN 0.430 nan 8.250 nan 0.000 0.450 1340 F N 0.757 120.722 119.950 0.026 0.000 2.450 1340 F HA 0.265 4.793 4.527 0.001 0.000 0.339 1340 F C 1.816 177.623 175.800 0.011 0.000 1.146 1340 F CA -0.886 57.120 58.000 0.009 0.000 1.267 1340 F CB 0.197 39.194 39.000 -0.007 0.000 1.178 1340 F HN 0.022 nan 8.300 nan 0.000 0.585 1341 I N 0.000 120.698 120.570 0.213 0.000 2.984 1341 I HA 0.000 4.171 4.170 0.001 0.000 0.288 1341 I CA 0.000 61.371 61.300 0.118 0.000 1.566 1341 I CB 0.000 38.050 38.000 0.084 0.000 1.214 1341 I HN 0.000 nan 8.210 nan 0.000 0.494