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 3gil_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 3.960 3.960 0.001 0.000 0.244 1001 G C 0.000 174.915 174.900 0.024 0.000 0.946 1001 G CA 0.000 45.100 45.100 0.001 0.000 0.502 1002 I N 2.015 122.618 120.570 0.054 0.000 2.548 1002 I HA 0.382 4.553 4.170 0.001 0.000 0.287 1002 I C -0.584 175.625 176.117 0.153 0.000 1.103 1002 I CA -1.114 60.258 61.300 0.120 0.000 1.049 1002 I CB 2.469 40.510 38.000 0.069 0.000 1.232 1002 I HN 0.237 nan 8.210 nan 0.000 0.429 1003 V N 6.619 126.657 119.914 0.207 0.000 2.417 1003 V HA 0.457 4.578 4.120 0.001 0.000 0.291 1003 V C -0.274 175.971 176.094 0.252 0.000 1.024 1003 V CA -0.614 61.821 62.300 0.226 0.000 0.861 1003 V CB 2.324 34.296 31.823 0.248 0.000 0.985 1003 V HN 0.513 nan 8.190 nan 0.000 0.436 1004 L N 5.236 126.599 121.223 0.233 0.000 2.307 1004 L HA 0.698 5.039 4.340 0.001 0.000 0.284 1004 L C -1.388 175.632 176.870 0.249 0.000 1.023 1004 L CA -0.479 54.481 54.840 0.201 0.000 0.810 1004 L CB 1.451 43.578 42.059 0.113 0.000 1.231 1004 L HN 0.653 nan 8.230 nan 0.000 0.423 1005 F N 5.573 125.538 119.950 0.026 0.000 2.493 1005 F HA 0.624 5.151 4.527 0.001 0.000 0.329 1005 F C -1.198 174.526 175.800 -0.127 0.000 1.126 1005 F CA -0.672 57.267 58.000 -0.101 0.000 0.937 1005 F CB 1.649 40.575 39.000 -0.123 0.000 1.146 1005 F HN 0.109 nan 8.300 nan 0.000 0.442 1006 V N 5.273 124.683 119.914 -0.839 0.000 2.459 1006 V HA 0.454 4.575 4.120 0.001 0.000 0.295 1006 V C -1.013 174.447 176.094 -1.055 0.000 1.029 1006 V CA -0.646 61.266 62.300 -0.647 0.000 0.874 1006 V CB 1.528 33.204 31.823 -0.245 0.000 0.985 1006 V HN 0.715 nan 8.190 nan 0.000 0.438 1007 D N 3.455 123.447 120.400 -0.680 0.000 2.855 1007 D HA 0.376 5.017 4.640 0.001 0.000 0.241 1007 D C -1.188 175.000 176.300 -0.186 0.000 1.277 1007 D CA -0.370 53.255 54.000 -0.626 0.000 0.918 1007 D CB 1.573 42.098 40.800 -0.458 0.000 1.462 1007 D HN 0.161 nan 8.370 nan 0.000 0.559 1008 F N 1.349 121.140 119.950 -0.264 0.000 2.399 1008 F HA 0.276 4.804 4.527 0.001 0.000 0.342 1008 F C 1.145 176.924 175.800 -0.035 0.000 1.106 1008 F CA -0.788 57.111 58.000 -0.168 0.000 1.196 1008 F CB 0.284 39.115 39.000 -0.282 0.000 1.163 1008 F HN 0.104 nan 8.300 nan 0.000 0.547 1009 D N 1.752 122.269 120.400 0.195 0.000 2.351 1009 D HA 0.079 4.719 4.640 0.001 0.000 0.251 1009 D C 0.223 176.552 176.300 0.049 0.000 1.137 1009 D CA 0.001 54.114 54.000 0.188 0.000 0.879 1009 D CB 0.066 40.970 40.800 0.174 0.000 1.181 1009 D HN 0.591 nan 8.370 nan 0.000 0.448 1010 Y N 0.345 120.783 120.300 0.229 0.000 2.933 1010 Y HA -0.362 4.188 4.550 0.001 0.000 0.217 1010 Y C 0.764 176.726 175.900 0.103 0.000 1.119 1010 Y CA -0.360 57.803 58.100 0.104 0.000 0.949 1010 Y CB -2.298 36.202 38.460 0.068 0.000 1.159 1010 Y HN 0.320 nan 8.280 nan 0.000 0.511 1011 F N 1.241 121.141 119.950 -0.085 0.000 2.065 1011 F HA -0.280 4.248 4.527 0.001 0.000 0.298 1011 F C 2.047 177.818 175.800 -0.050 0.000 1.112 1011 F CA 1.909 59.870 58.000 -0.064 0.000 1.212 1011 F CB -0.545 38.494 39.000 0.065 0.000 0.975 1011 F HN 0.367 nan 8.300 nan 0.000 0.476 1012 Y N 0.141 120.163 120.300 -0.463 0.000 2.163 1012 Y HA -0.009 4.541 4.550 0.001 0.000 0.288 1012 Y C 2.667 178.213 175.900 -0.590 0.000 1.136 1012 Y CA 0.658 58.183 58.100 -0.959 0.000 1.147 1012 Y CB -1.717 36.265 38.460 -0.798 0.000 0.987 1012 Y HN 0.151 nan 8.280 nan 0.000 0.509 1013 A N -0.185 122.599 122.820 -0.060 0.000 1.902 1013 A HA -0.246 4.075 4.320 0.001 0.000 0.217 1013 A C 2.282 179.890 177.584 0.040 0.000 1.181 1013 A CA 1.722 53.800 52.037 0.069 0.000 0.623 1013 A CB -0.887 18.258 19.000 0.242 0.000 0.818 1013 A HN 0.492 nan 8.150 nan 0.000 0.443 1014 Q N -0.302 119.391 119.800 -0.179 0.000 2.112 1014 Q HA -0.163 4.178 4.340 0.001 0.000 0.206 1014 Q C 2.052 177.921 176.000 -0.218 0.000 0.987 1014 Q CA 2.057 57.632 55.803 -0.381 0.000 0.858 1014 Q CB -0.233 28.020 28.738 -0.809 0.000 0.905 1014 Q HN 0.472 nan 8.270 nan 0.000 0.420 1015 V N 1.211 120.938 119.914 -0.312 0.000 2.343 1015 V HA -0.231 3.890 4.120 0.001 0.000 0.247 1015 V C 2.217 178.274 176.094 -0.062 0.000 1.051 1015 V CA 1.805 63.973 62.300 -0.219 0.000 1.036 1015 V CB -0.541 31.105 31.823 -0.294 0.000 0.654 1015 V HN 0.353 nan 8.190 nan 0.000 0.451 1016 E N 0.244 120.429 120.200 -0.024 0.000 2.085 1016 E HA -0.257 4.094 4.350 0.001 0.000 0.194 1016 E C 2.184 178.803 176.600 0.031 0.000 0.994 1016 E CA 1.488 57.913 56.400 0.041 0.000 0.801 1016 E CB -0.261 29.477 29.700 0.063 0.000 0.743 1016 E HN 0.713 nan 8.360 nan 0.000 0.453 1017 E N 0.346 120.567 120.200 0.034 0.000 2.110 1017 E HA -0.126 4.224 4.350 0.001 0.000 0.193 1017 E C 2.212 178.827 176.600 0.025 0.000 0.988 1017 E CA 1.005 57.435 56.400 0.049 0.000 0.804 1017 E CB 0.029 29.790 29.700 0.101 0.000 0.745 1017 E HN 0.042 nan 8.360 nan 0.000 0.458 1018 V N 1.010 120.923 119.914 -0.001 0.000 2.453 1018 V HA -0.194 3.927 4.120 0.001 0.000 0.247 1018 V C 1.993 178.087 176.094 -0.000 0.000 1.048 1018 V CA 1.049 63.344 62.300 -0.008 0.000 1.049 1018 V CB -0.193 31.612 31.823 -0.030 0.000 0.672 1018 V HN 0.215 nan 8.190 nan 0.000 0.457 1019 L N -0.059 121.166 121.223 0.003 0.000 2.291 1019 L HA 0.137 4.477 4.340 0.001 0.000 0.214 1019 L C 1.069 177.947 176.870 0.013 0.000 1.120 1019 L CA 1.308 56.153 54.840 0.008 0.000 0.799 1019 L CB -0.694 41.373 42.059 0.013 0.000 0.925 1019 L HN 0.399 nan 8.230 nan 0.000 0.446 1020 N N -0.867 117.844 118.700 0.019 0.000 2.640 1020 N HA 0.169 4.909 4.740 0.001 0.000 0.262 1020 N C -2.291 173.233 175.510 0.023 0.000 1.174 1020 N CA -1.043 52.019 53.050 0.020 0.000 0.791 1020 N CB 1.838 40.340 38.487 0.024 0.000 1.279 1020 N HN -0.155 nan 8.380 nan 0.000 0.535 1021 P HA -0.072 nan 4.420 nan 0.000 0.222 1021 P C 1.338 178.653 177.300 0.025 0.000 1.147 1021 P CA 0.949 64.063 63.100 0.023 0.000 0.790 1021 P CB 0.253 31.964 31.700 0.018 0.000 0.780 1022 S N -0.883 114.830 115.700 0.021 0.000 2.419 1022 S HA -0.123 4.347 4.470 0.001 0.000 0.233 1022 S C 1.736 176.350 174.600 0.022 0.000 1.016 1022 S CA 0.920 59.132 58.200 0.020 0.000 0.974 1022 S CB -1.362 61.848 63.200 0.017 0.000 0.786 1022 S HN -0.023 nan 8.310 nan 0.000 0.492 1023 L N 1.338 122.577 121.223 0.026 0.000 2.275 1023 L HA 0.230 4.571 4.340 0.001 0.000 0.215 1023 L C 1.265 178.155 176.870 0.033 0.000 1.119 1023 L CA 1.088 55.944 54.840 0.027 0.000 0.790 1023 L CB -1.024 41.055 42.059 0.033 0.000 0.919 1023 L HN 0.364 nan 8.230 nan 0.000 0.443 1024 K N -0.673 119.752 120.400 0.041 0.000 2.401 1024 K HA 0.325 4.645 4.320 0.001 0.000 0.278 1024 K C 1.135 177.757 176.600 0.037 0.000 1.018 1024 K CA 0.793 57.111 56.287 0.051 0.000 0.981 1024 K CB 0.206 32.741 32.500 0.058 0.000 0.933 1024 K HN 0.250 nan 8.250 nan 0.000 0.477 1025 G N 3.041 111.862 108.800 0.035 0.000 2.234 1025 G HA2 -0.248 3.713 3.960 0.001 0.000 0.235 1025 G HA3 -0.248 3.713 3.960 0.001 0.000 0.235 1025 G C -0.371 174.543 174.900 0.023 0.000 0.997 1025 G CA 0.172 45.288 45.100 0.027 0.000 0.623 1025 G HN 0.569 nan 8.290 nan 0.000 0.514 1026 K N 1.468 121.878 120.400 0.017 0.000 2.166 1026 K HA 0.593 4.913 4.320 0.001 0.000 0.245 1026 K C -2.653 173.944 176.600 -0.006 0.000 0.967 1026 K CA -2.086 54.205 56.287 0.007 0.000 0.863 1026 K CB 2.021 34.521 32.500 -0.000 0.000 1.107 1026 K HN 0.014 nan 8.250 nan 0.000 0.436 1027 P HA 0.066 nan 4.420 nan 0.000 0.276 1027 P C -0.848 176.390 177.300 -0.104 0.000 1.243 1027 P CA -0.225 62.845 63.100 -0.049 0.000 0.768 1027 P CB 0.719 32.394 31.700 -0.042 0.000 0.856 1028 V N 4.843 124.698 119.914 -0.098 0.000 2.495 1028 V HA 0.373 4.493 4.120 0.001 0.000 0.298 1028 V C 0.158 176.169 176.094 -0.139 0.000 1.031 1028 V CA -0.710 61.525 62.300 -0.109 0.000 0.871 1028 V CB 2.297 34.111 31.823 -0.015 0.000 0.988 1028 V HN 0.252 nan 8.190 nan 0.000 0.432 1029 V N 5.116 124.903 119.914 -0.213 0.000 2.409 1029 V HA 0.401 4.521 4.120 0.001 0.000 0.290 1029 V C -0.248 175.837 176.094 -0.016 0.000 1.017 1029 V CA -0.627 61.581 62.300 -0.154 0.000 0.841 1029 V CB 1.822 33.464 31.823 -0.302 0.000 1.003 1029 V HN 0.609 nan 8.190 nan 0.000 0.426 1030 V N 3.855 123.786 119.914 0.029 0.000 2.432 1030 V HA 0.395 4.515 4.120 0.001 0.000 0.275 1030 V C 0.137 176.255 176.094 0.041 0.000 1.043 1030 V CA -0.182 62.165 62.300 0.079 0.000 0.925 1030 V CB 1.256 33.150 31.823 0.119 0.000 0.985 1030 V HN 0.986 nan 8.190 nan 0.000 0.466 1031 C N 4.333 123.611 119.300 -0.037 0.000 2.561 1031 C HA 0.678 5.138 4.460 0.001 0.000 0.319 1031 C C 0.078 174.859 174.990 -0.347 0.000 1.198 1031 C CA -0.824 58.014 59.018 -0.301 0.000 1.665 1031 C CB 1.700 28.979 27.740 -0.769 0.000 2.258 1031 C HN 0.625 nan 8.230 nan 0.000 0.493 1032 V N 2.804 122.527 119.914 -0.319 0.000 2.333 1032 V HA 0.351 4.472 4.120 0.001 0.000 0.274 1032 V C -0.631 175.296 176.094 -0.279 0.000 1.028 1032 V CA -0.117 62.074 62.300 -0.181 0.000 0.851 1032 V CB 0.067 31.860 31.823 -0.050 0.000 1.000 1032 V HN 0.654 nan 8.190 nan 0.000 0.456 1033 F N 3.191 123.153 119.950 0.021 0.000 2.411 1033 F HA 0.321 4.848 4.527 0.001 0.000 0.350 1033 F C 1.583 177.362 175.800 -0.036 0.000 1.114 1033 F CA -0.049 57.942 58.000 -0.016 0.000 1.135 1033 F CB 1.923 40.920 39.000 -0.005 0.000 1.120 1033 F HN 0.592 nan 8.300 nan 0.000 0.495 1034 S N 1.544 117.290 115.700 0.077 0.000 2.404 1034 S HA 0.371 4.842 4.470 0.001 0.000 0.223 1034 S C 1.562 176.156 174.600 -0.009 0.000 1.040 1034 S CA 0.723 58.918 58.200 -0.007 0.000 0.957 1034 S CB 0.120 63.266 63.200 -0.091 0.000 0.826 1034 S HN 1.041 nan 8.310 nan 0.000 0.491 1035 G N 1.479 110.254 108.800 -0.042 0.000 3.180 1035 G HA2 -0.165 3.795 3.960 0.001 0.000 0.197 1035 G HA3 -0.165 3.795 3.960 0.001 0.000 0.197 1035 G C 1.076 175.935 174.900 -0.068 0.000 1.149 1035 G CA 0.134 45.221 45.100 -0.022 0.000 0.847 1035 G HN 0.248 nan 8.290 nan 0.000 0.469 1036 R N 0.430 120.837 120.500 -0.155 0.000 2.196 1036 R HA -0.137 4.203 4.340 0.001 0.000 0.244 1036 R C 1.265 177.579 176.300 0.023 0.000 1.121 1036 R CA 2.333 58.360 56.100 -0.123 0.000 0.930 1036 R CB -0.964 29.158 30.300 -0.297 0.000 0.890 1036 R HN 0.675 nan 8.270 nan 0.000 0.435 1037 F N -1.707 118.265 119.950 0.037 0.000 2.640 1037 F HA 0.480 5.008 4.527 0.001 0.000 0.324 1037 F C -0.306 175.512 175.800 0.030 0.000 1.077 1037 F CA -1.713 56.303 58.000 0.026 0.000 0.965 1037 F CB 0.613 39.624 39.000 0.017 0.000 1.351 1037 F HN -0.293 nan 8.300 nan 0.000 0.487 1038 E N 1.063 121.395 120.200 0.219 0.000 2.415 1038 E HA 0.150 4.501 4.350 0.001 0.000 0.260 1038 E C -0.545 176.179 176.600 0.206 0.000 1.016 1038 E CA 1.287 57.747 56.400 0.101 0.000 0.924 1038 E CB -0.082 29.646 29.700 0.047 0.000 0.961 1038 E HN 0.684 nan 8.360 nan 0.000 0.459 1039 D N 0.922 121.426 120.400 0.173 0.000 2.661 1039 D HA -0.164 4.477 4.640 0.001 0.000 0.183 1039 D C -0.493 175.904 176.300 0.162 0.000 0.935 1039 D CA 1.179 55.335 54.000 0.260 0.000 1.004 1039 D CB -1.558 39.369 40.800 0.212 0.000 1.053 1039 D HN 0.486 nan 8.370 nan 0.000 0.459 1040 S N 0.229 115.836 115.700 -0.155 0.000 2.516 1040 S HA 0.554 5.025 4.470 0.001 0.000 0.282 1040 S C 0.814 175.310 174.600 -0.174 0.000 1.286 1040 S CA 0.914 58.800 58.200 -0.524 0.000 1.066 1040 S CB 2.057 64.472 63.200 -1.309 0.000 0.884 1040 S HN 0.873 nan 8.310 nan 0.000 0.491 1041 G N 1.425 110.143 108.800 -0.136 0.000 2.332 1041 G HA2 0.553 4.514 3.960 0.001 0.000 0.265 1041 G HA3 0.553 4.514 3.960 0.001 0.000 0.265 1041 G C -1.138 173.705 174.900 -0.095 0.000 1.329 1041 G CA -0.263 44.770 45.100 -0.111 0.000 0.949 1041 G HN 1.749 nan 8.290 nan 0.000 0.476 1042 A N -1.265 121.485 122.820 -0.116 0.000 2.515 1042 A HA 0.814 5.135 4.320 0.001 0.000 0.298 1042 A C -0.361 177.168 177.584 -0.092 0.000 1.059 1042 A CA -0.223 51.767 52.037 -0.078 0.000 0.698 1042 A CB 1.701 20.672 19.000 -0.048 0.000 1.289 1042 A HN 1.825 nan 8.150 nan 0.000 0.404 1043 V N 1.875 121.759 119.914 -0.049 0.000 2.585 1043 V HA 0.303 4.423 4.120 0.001 0.000 0.296 1043 V C 1.509 177.586 176.094 -0.029 0.000 1.035 1043 V CA 0.920 63.202 62.300 -0.030 0.000 1.084 1043 V CB 0.736 32.561 31.823 0.002 0.000 0.953 1043 V HN 1.221 nan 8.190 nan 0.000 0.483 1044 A N 4.013 126.826 122.820 -0.011 0.000 1.878 1044 A HA 0.268 4.588 4.320 0.001 0.000 0.213 1044 A C 1.092 178.641 177.584 -0.058 0.000 1.192 1044 A CA 1.446 53.487 52.037 0.007 0.000 0.619 1044 A CB 0.213 19.295 19.000 0.136 0.000 0.837 1044 A HN 0.778 nan 8.150 nan 0.000 0.446 1045 T N -3.539 110.990 114.554 -0.041 0.000 2.700 1045 T HA 0.558 4.909 4.350 0.001 0.000 0.307 1045 T C -1.667 173.005 174.700 -0.048 0.000 1.580 1045 T CA 0.140 62.195 62.100 -0.074 0.000 0.992 1045 T CB 1.205 70.001 68.868 -0.119 0.000 1.577 1045 T HN 1.162 nan 8.240 nan 0.000 0.496 1046 A N 1.751 124.522 122.820 -0.082 0.000 2.532 1046 A HA 0.830 5.151 4.320 0.001 0.000 0.290 1046 A C -0.590 176.899 177.584 -0.158 0.000 1.143 1046 A CA -0.773 51.206 52.037 -0.096 0.000 0.728 1046 A CB 1.142 20.077 19.000 -0.108 0.000 1.317 1046 A HN 0.741 nan 8.150 nan 0.000 0.414 1047 N N -0.516 118.084 118.700 -0.166 0.000 2.374 1047 N HA 0.068 4.809 4.740 0.001 0.000 0.241 1047 N C 0.458 175.737 175.510 -0.385 0.000 1.262 1047 N CA 0.511 53.370 53.050 -0.317 0.000 0.880 1047 N CB -0.119 38.264 38.487 -0.172 0.000 1.105 1047 N HN 0.604 nan 8.380 nan 0.000 0.438 1048 Y N 0.446 120.473 120.300 -0.456 0.000 2.421 1048 Y HA -0.119 4.432 4.550 0.001 0.000 0.292 1048 Y C 1.685 177.482 175.900 -0.172 0.000 1.136 1048 Y CA 0.888 58.825 58.100 -0.273 0.000 1.255 1048 Y CB 0.176 38.469 38.460 -0.278 0.000 0.991 1048 Y HN 0.572 nan 8.280 nan 0.000 0.552 1049 E N -0.332 119.851 120.200 -0.028 0.000 2.204 1049 E HA -0.133 4.217 4.350 0.001 0.000 0.194 1049 E C 2.186 178.861 176.600 0.125 0.000 0.989 1049 E CA 1.060 57.487 56.400 0.045 0.000 0.824 1049 E CB -0.258 29.470 29.700 0.048 0.000 0.756 1049 E HN 0.434 nan 8.360 nan 0.000 0.477 1050 A N 0.209 123.046 122.820 0.029 0.000 1.943 1050 A HA 0.029 4.349 4.320 0.001 0.000 0.213 1050 A C 1.959 179.579 177.584 0.061 0.000 1.181 1050 A CA 0.537 52.620 52.037 0.078 0.000 0.653 1050 A CB -0.032 18.949 19.000 -0.032 0.000 0.833 1050 A HN 0.024 nan 8.150 nan 0.000 0.451 1051 R N 0.159 120.614 120.500 -0.075 0.000 2.092 1051 R HA -0.068 4.273 4.340 0.001 0.000 0.231 1051 R C 1.954 178.192 176.300 -0.104 0.000 1.119 1051 R CA 1.341 57.374 56.100 -0.111 0.000 0.970 1051 R CB -0.259 29.896 30.300 -0.240 0.000 0.864 1051 R HN 0.431 nan 8.270 nan 0.000 0.440 1052 K N -0.162 120.138 120.400 -0.167 0.000 2.189 1052 K HA -0.187 4.134 4.320 0.001 0.000 0.207 1052 K C 0.904 177.180 176.600 -0.540 0.000 1.046 1052 K CA 1.531 57.580 56.287 -0.397 0.000 0.928 1052 K CB -0.104 32.025 32.500 -0.618 0.000 0.720 1052 K HN 0.177 nan 8.250 nan 0.000 0.458 1053 F N -0.927 119.011 119.950 -0.019 0.000 2.647 1053 F HA 0.249 4.777 4.527 0.001 0.000 0.300 1053 F C 1.240 177.034 175.800 -0.009 0.000 1.106 1053 F CA 0.160 58.154 58.000 -0.010 0.000 1.313 1053 F CB 1.084 40.082 39.000 -0.004 0.000 1.007 1053 F HN 0.117 nan 8.300 nan 0.000 0.536 1054 G N -0.041 108.807 108.800 0.080 0.000 2.176 1054 G HA2 -0.248 3.713 3.960 0.001 0.000 0.232 1054 G HA3 -0.248 3.713 3.960 0.001 0.000 0.232 1054 G C -0.017 174.907 174.900 0.041 0.000 0.986 1054 G CA -0.111 45.017 45.100 0.047 0.000 0.643 1054 G HN 0.106 nan 8.290 nan 0.000 0.522 1055 V N 2.944 122.892 119.914 0.057 0.000 2.427 1055 V HA 0.560 4.681 4.120 0.001 0.000 0.268 1055 V C 0.606 176.690 176.094 -0.017 0.000 1.046 1055 V CA 0.927 63.250 62.300 0.039 0.000 0.970 1055 V CB 0.826 32.686 31.823 0.062 0.000 1.001 1055 V HN 0.735 nan 8.190 nan 0.000 0.476 1056 K N 3.810 124.195 120.400 -0.024 0.000 2.548 1056 K HA 0.829 5.149 4.320 0.001 0.000 0.282 1056 K C -0.571 176.001 176.600 -0.047 0.000 1.006 1056 K CA -0.886 55.365 56.287 -0.060 0.000 0.892 1056 K CB 1.957 34.418 32.500 -0.065 0.000 1.499 1056 K HN 0.537 nan 8.250 nan 0.000 0.433 1057 A N 0.167 122.949 122.820 -0.065 0.000 2.567 1057 A HA 0.384 4.704 4.320 0.001 0.000 0.240 1057 A C 1.266 178.826 177.584 -0.039 0.000 1.053 1057 A CA 1.467 53.470 52.037 -0.057 0.000 0.755 1057 A CB -1.301 17.654 19.000 -0.075 0.000 0.978 1057 A HN 1.532 nan 8.150 nan 0.000 0.507 1058 G N 1.353 110.135 108.800 -0.031 0.000 2.254 1058 G HA2 -0.226 3.734 3.960 0.001 0.000 0.225 1058 G HA3 -0.226 3.734 3.960 0.001 0.000 0.225 1058 G C 0.474 175.364 174.900 -0.016 0.000 1.003 1058 G CA 0.233 45.318 45.100 -0.024 0.000 0.622 1058 G HN 1.961 nan 8.290 nan 0.000 0.507 1059 I N 0.270 120.834 120.570 -0.010 0.000 3.004 1059 I HA 0.647 4.817 4.170 0.001 0.000 0.287 1059 I C -2.141 173.976 176.117 0.001 0.000 1.144 1059 I CA -2.138 59.162 61.300 0.000 0.000 1.353 1059 I CB 0.639 38.645 38.000 0.010 0.000 1.417 1059 I HN -0.043 nan 8.210 nan 0.000 0.602 1060 P HA 0.256 nan 4.420 nan 0.000 0.274 1060 P C 0.500 177.806 177.300 0.011 0.000 1.231 1060 P CA -0.157 62.947 63.100 0.007 0.000 0.790 1060 P CB 0.809 32.525 31.700 0.026 0.000 0.951 1061 I N 1.766 122.331 120.570 -0.009 0.000 2.179 1061 I HA -0.222 3.948 4.170 0.001 0.000 0.242 1061 I C 2.253 178.358 176.117 -0.019 0.000 1.088 1061 I CA 1.490 62.775 61.300 -0.025 0.000 1.357 1061 I CB -0.662 37.300 38.000 -0.063 0.000 1.051 1061 I HN 0.216 nan 8.210 nan 0.000 0.409 1062 V N -1.238 118.694 119.914 0.030 0.000 2.380 1062 V HA -0.279 3.841 4.120 0.001 0.000 0.251 1062 V C 2.077 178.183 176.094 0.019 0.000 1.063 1062 V CA 1.896 64.219 62.300 0.039 0.000 1.055 1062 V CB -0.857 31.026 31.823 0.100 0.000 0.657 1062 V HN 0.450 nan 8.190 nan 0.000 0.455 1063 E N 0.770 120.988 120.200 0.029 0.000 2.046 1063 E HA -0.014 4.336 4.350 0.001 0.000 0.190 1063 E C 2.477 179.104 176.600 0.045 0.000 0.982 1063 E CA 1.130 57.549 56.400 0.032 0.000 0.800 1063 E CB -0.389 29.331 29.700 0.033 0.000 0.756 1063 E HN 0.701 nan 8.360 nan 0.000 0.449 1064 A N 1.923 124.781 122.820 0.063 0.000 1.917 1064 A HA -0.267 4.054 4.320 0.001 0.000 0.219 1064 A C 1.949 179.621 177.584 0.147 0.000 1.182 1064 A CA 1.633 53.746 52.037 0.128 0.000 0.633 1064 A CB -0.409 18.719 19.000 0.214 0.000 0.819 1064 A HN 0.071 nan 8.150 nan 0.000 0.448 1065 K N -0.388 120.033 120.400 0.036 0.000 2.209 1065 K HA -0.128 4.193 4.320 0.001 0.000 0.204 1065 K C 1.931 178.549 176.600 0.029 0.000 1.048 1065 K CA 1.462 57.745 56.287 -0.007 0.000 0.940 1065 K CB -0.151 32.253 32.500 -0.160 0.000 0.729 1065 K HN 0.514 nan 8.250 nan 0.000 0.451 1066 K N 0.495 120.909 120.400 0.024 0.000 2.103 1066 K HA -0.036 4.285 4.320 0.001 0.000 0.204 1066 K C 2.049 178.663 176.600 0.022 0.000 1.052 1066 K CA 0.997 57.295 56.287 0.018 0.000 0.945 1066 K CB 0.016 32.526 32.500 0.016 0.000 0.722 1066 K HN 0.094 nan 8.250 nan 0.000 0.443 1067 I N 0.306 120.900 120.570 0.040 0.000 2.339 1067 I HA -0.101 4.070 4.170 0.001 0.000 0.245 1067 I C 0.744 176.855 176.117 -0.010 0.000 1.096 1067 I CA 0.762 62.081 61.300 0.031 0.000 1.408 1067 I CB 0.294 38.334 38.000 0.068 0.000 1.092 1067 I HN -0.024 nan 8.210 nan 0.000 0.423 1068 L N 2.425 123.672 121.223 0.039 0.000 2.457 1068 L HA 0.277 4.618 4.340 0.001 0.000 0.252 1068 L C -1.814 175.131 176.870 0.125 0.000 1.132 1068 L CA -1.136 53.710 54.840 0.011 0.000 0.938 1068 L CB 1.408 43.467 42.059 -0.000 0.000 1.246 1068 L HN -0.082 nan 8.230 nan 0.000 0.476 1069 P HA -0.004 nan 4.420 nan 0.000 0.231 1069 P C 0.424 177.802 177.300 0.131 0.000 1.168 1069 P CA 0.765 63.926 63.100 0.100 0.000 0.779 1069 P CB 0.416 32.136 31.700 0.035 0.000 0.844 1070 N N -0.271 118.476 118.700 0.078 0.000 2.235 1070 N HA 0.186 4.927 4.740 0.001 0.000 0.209 1070 N C 0.621 176.156 175.510 0.041 0.000 1.122 1070 N CA -0.106 52.979 53.050 0.059 0.000 0.845 1070 N CB 0.356 38.848 38.487 0.009 0.000 1.004 1070 N HN 0.096 nan 8.380 nan 0.000 0.499 1071 A N 0.313 123.158 122.820 0.041 0.000 2.346 1071 A HA 0.377 4.698 4.320 0.001 0.000 0.252 1071 A C 0.389 177.857 177.584 -0.193 0.000 1.089 1071 A CA -0.238 51.707 52.037 -0.155 0.000 0.797 1071 A CB 0.563 19.341 19.000 -0.369 0.000 1.047 1071 A HN -0.000 nan 8.150 nan 0.000 0.494 1072 V N 1.310 121.075 119.914 -0.248 0.000 2.432 1072 V HA 0.216 4.337 4.120 0.001 0.000 0.271 1072 V C -1.029 174.891 176.094 -0.291 0.000 1.046 1072 V CA 0.214 62.434 62.300 -0.134 0.000 0.945 1072 V CB -0.182 31.610 31.823 -0.052 0.000 0.992 1072 V HN 0.636 nan 8.190 nan 0.000 0.471 1073 Y N 5.503 125.860 120.300 0.095 0.000 2.334 1073 Y HA 0.610 5.160 4.550 0.001 0.000 0.336 1073 Y C 0.040 176.049 175.900 0.183 0.000 0.960 1073 Y CA -0.476 57.704 58.100 0.133 0.000 1.164 1073 Y CB 1.312 39.877 38.460 0.176 0.000 1.155 1073 Y HN 0.434 nan 8.280 nan 0.000 0.478 1074 L N 6.542 127.922 121.223 0.261 0.000 2.334 1074 L HA 0.565 4.905 4.340 0.001 0.000 0.276 1074 L C -2.330 174.725 176.870 0.309 0.000 1.014 1074 L CA -2.337 52.652 54.840 0.248 0.000 0.815 1074 L CB 2.176 44.330 42.059 0.157 0.000 1.268 1074 L HN 0.372 nan 8.230 nan 0.000 0.428 1075 P HA 0.037 nan 4.420 nan 0.000 0.271 1075 P C -0.615 176.821 177.300 0.226 0.000 1.216 1075 P CA -0.434 62.899 63.100 0.389 0.000 0.776 1075 P CB 0.886 32.784 31.700 0.330 0.000 0.881 1076 M N 3.889 123.603 119.600 0.190 0.000 2.246 1076 M HA 0.028 4.508 4.480 0.001 0.000 0.350 1076 M C 0.417 176.746 176.300 0.048 0.000 1.406 1076 M CA 0.588 56.002 55.300 0.189 0.000 1.089 1076 M CB 0.016 32.726 32.600 0.184 0.000 1.782 1076 M HN 0.221 nan 8.290 nan 0.000 0.457 1077 R N 4.461 124.870 120.500 -0.153 0.000 2.860 1077 R HA 0.148 4.489 4.340 0.001 0.000 0.282 1077 R C 0.559 176.282 176.300 -0.962 0.000 1.408 1077 R CA -0.289 55.519 56.100 -0.487 0.000 1.636 1077 R CB 0.436 30.442 30.300 -0.490 0.000 1.187 1077 R HN 0.760 nan 8.270 nan 0.000 0.611 1078 K N 1.183 121.311 120.400 -0.454 0.000 2.152 1078 K HA -0.205 4.115 4.320 0.001 0.000 0.206 1078 K C 0.774 177.210 176.600 -0.274 0.000 1.048 1078 K CA 1.628 57.732 56.287 -0.305 0.000 0.933 1078 K CB 0.397 32.878 32.500 -0.031 0.000 0.721 1078 K HN 0.267 nan 8.250 nan 0.000 0.447 1079 E N -0.243 119.813 120.200 -0.240 0.000 2.153 1079 E HA -0.146 4.205 4.350 0.001 0.000 0.194 1079 E C 1.817 178.309 176.600 -0.180 0.000 0.988 1079 E CA 1.005 57.323 56.400 -0.136 0.000 0.811 1079 E CB -0.019 29.631 29.700 -0.083 0.000 0.746 1079 E HN 0.051 nan 8.360 nan 0.000 0.466 1080 V N 0.248 119.939 119.914 -0.372 0.000 2.407 1080 V HA -0.208 3.912 4.120 0.001 0.000 0.245 1080 V C 1.624 177.595 176.094 -0.206 0.000 1.041 1080 V CA 1.438 63.547 62.300 -0.318 0.000 1.040 1080 V CB -0.514 31.062 31.823 -0.411 0.000 0.671 1080 V HN 0.248 nan 8.190 nan 0.000 0.455 1081 Y N 0.297 120.525 120.300 -0.120 0.000 2.200 1081 Y HA -0.189 4.361 4.550 0.001 0.000 0.290 1081 Y C 2.584 178.593 175.900 0.182 0.000 1.137 1081 Y CA 1.157 59.210 58.100 -0.079 0.000 1.163 1081 Y CB -1.174 37.124 38.460 -0.270 0.000 0.988 1081 Y HN 0.246 nan 8.280 nan 0.000 0.518 1082 Q N 0.781 120.711 119.800 0.215 0.000 2.061 1082 Q HA -0.213 4.128 4.340 0.001 0.000 0.204 1082 Q C 2.092 178.182 176.000 0.151 0.000 0.984 1082 Q CA 1.963 57.884 55.803 0.197 0.000 0.846 1082 Q CB -0.359 28.446 28.738 0.112 0.000 0.902 1082 Q HN 0.558 nan 8.270 nan 0.000 0.421 1083 Q N -0.995 118.856 119.800 0.085 0.000 2.112 1083 Q HA -0.163 4.177 4.340 0.001 0.000 0.206 1083 Q C 2.064 178.125 176.000 0.102 0.000 0.987 1083 Q CA 1.830 57.673 55.803 0.067 0.000 0.858 1083 Q CB -0.067 28.686 28.738 0.024 0.000 0.905 1083 Q HN 0.306 nan 8.270 nan 0.000 0.420 1084 V N -0.056 119.951 119.914 0.156 0.000 2.323 1084 V HA -0.225 3.895 4.120 0.001 0.000 0.244 1084 V C 2.318 178.559 176.094 0.244 0.000 1.041 1084 V CA 1.768 64.181 62.300 0.188 0.000 1.025 1084 V CB -0.627 31.325 31.823 0.215 0.000 0.656 1084 V HN 0.341 nan 8.190 nan 0.000 0.451 1085 S N -0.171 115.757 115.700 0.381 0.000 2.374 1085 S HA -0.241 4.230 4.470 0.001 0.000 0.227 1085 S C 2.225 176.936 174.600 0.184 0.000 1.037 1085 S CA 2.293 60.679 58.200 0.310 0.000 1.024 1085 S CB -0.332 63.053 63.200 0.308 0.000 0.861 1085 S HN 0.590 nan 8.310 nan 0.000 0.456 1086 S N 0.846 116.632 115.700 0.143 0.000 2.383 1086 S HA 0.062 4.532 4.470 0.001 0.000 0.227 1086 S C 1.976 176.619 174.600 0.072 0.000 1.026 1086 S CA 0.648 58.905 58.200 0.095 0.000 0.981 1086 S CB -0.233 63.011 63.200 0.073 0.000 0.818 1086 S HN 0.499 nan 8.310 nan 0.000 0.472 1087 R N 0.531 121.071 120.500 0.066 0.000 2.092 1087 R HA 0.068 4.409 4.340 0.001 0.000 0.231 1087 R C 2.118 178.434 176.300 0.027 0.000 1.119 1087 R CA 1.102 57.225 56.100 0.039 0.000 0.970 1087 R CB -0.428 29.889 30.300 0.029 0.000 0.864 1087 R HN 0.413 nan 8.270 nan 0.000 0.440 1088 I N 0.455 121.035 120.570 0.018 0.000 2.315 1088 I HA -0.254 3.917 4.170 0.001 0.000 0.248 1088 I C 2.232 178.382 176.117 0.054 0.000 1.117 1088 I CA 0.890 62.171 61.300 -0.032 0.000 1.404 1088 I CB -0.145 37.715 38.000 -0.233 0.000 1.071 1088 I HN 0.117 nan 8.210 nan 0.000 0.419 1089 M N 0.301 119.964 119.600 0.106 0.000 2.159 1089 M HA -0.167 4.313 4.480 0.001 0.000 0.263 1089 M C 1.946 178.294 176.300 0.080 0.000 1.063 1089 M CA 1.569 56.935 55.300 0.110 0.000 1.110 1089 M CB -1.574 31.086 32.600 0.099 0.000 1.374 1089 M HN 0.246 nan 8.290 nan 0.000 0.411 1090 N N 0.702 119.438 118.700 0.060 0.000 2.166 1090 N HA -0.074 4.667 4.740 0.001 0.000 0.186 1090 N C 1.890 177.424 175.510 0.041 0.000 1.019 1090 N CA 1.093 54.169 53.050 0.042 0.000 0.856 1090 N CB -0.427 38.077 38.487 0.028 0.000 0.993 1090 N HN 0.382 nan 8.380 nan 0.000 0.426 1091 L N 0.510 121.763 121.223 0.049 0.000 2.093 1091 L HA -0.072 4.268 4.340 0.001 0.000 0.208 1091 L C 2.165 179.128 176.870 0.155 0.000 1.085 1091 L CA 0.612 55.492 54.840 0.066 0.000 0.755 1091 L CB -0.397 41.702 42.059 0.065 0.000 0.904 1091 L HN 0.123 nan 8.230 nan 0.000 0.435 1092 L N -0.634 120.684 121.223 0.159 0.000 2.083 1092 L HA -0.219 4.121 4.340 0.001 0.000 0.209 1092 L C 2.756 179.739 176.870 0.188 0.000 1.083 1092 L CA 1.238 56.202 54.840 0.206 0.000 0.752 1092 L CB -0.528 41.610 42.059 0.132 0.000 0.899 1092 L HN 0.215 nan 8.230 nan 0.000 0.433 1093 R N -0.162 120.402 120.500 0.106 0.000 2.152 1093 R HA -0.139 4.202 4.340 0.001 0.000 0.232 1093 R C 2.172 178.491 176.300 0.030 0.000 1.117 1093 R CA 0.891 57.033 56.100 0.069 0.000 0.981 1093 R CB -0.062 30.265 30.300 0.045 0.000 0.870 1093 R HN 0.400 nan 8.270 nan 0.000 0.451 1094 E N -0.384 119.798 120.200 -0.031 0.000 2.110 1094 E HA -0.202 4.149 4.350 0.001 0.000 0.193 1094 E C 1.629 178.093 176.600 -0.228 0.000 0.988 1094 E CA 1.352 57.645 56.400 -0.178 0.000 0.804 1094 E CB -0.158 29.336 29.700 -0.342 0.000 0.745 1094 E HN 0.464 nan 8.360 nan 0.000 0.458 1095 Y N 0.708 121.020 120.300 0.019 0.000 2.201 1095 Y HA 0.045 4.596 4.550 0.001 0.000 0.292 1095 Y C 1.586 177.502 175.900 0.028 0.000 1.119 1095 Y CA 0.753 58.866 58.100 0.022 0.000 1.127 1095 Y CB 0.195 38.668 38.460 0.022 0.000 1.019 1095 Y HN -0.181 nan 8.280 nan 0.000 0.514 1096 S N -0.683 115.132 115.700 0.191 0.000 2.538 1096 S HA 0.260 4.731 4.470 0.001 0.000 0.288 1096 S C 0.285 174.939 174.600 0.089 0.000 1.108 1096 S CA -0.638 57.635 58.200 0.121 0.000 0.971 1096 S CB 1.316 64.590 63.200 0.124 0.000 1.041 1096 S HN 0.320 nan 8.310 nan 0.000 0.483 1097 E N 2.262 122.501 120.200 0.064 0.000 2.112 1097 E HA 0.023 4.373 4.350 0.001 0.000 0.190 1097 E C -0.087 176.548 176.600 0.059 0.000 0.979 1097 E CA 0.628 57.059 56.400 0.051 0.000 0.814 1097 E CB 0.080 29.802 29.700 0.036 0.000 0.762 1097 E HN 0.514 nan 8.360 nan 0.000 0.460 1098 K N 1.618 122.057 120.400 0.064 0.000 2.336 1098 K HA 0.237 4.558 4.320 0.001 0.000 0.290 1098 K C -0.387 176.268 176.600 0.091 0.000 1.067 1098 K CA 0.310 56.638 56.287 0.069 0.000 0.962 1098 K CB 0.619 33.157 32.500 0.063 0.000 1.008 1098 K HN 0.095 nan 8.250 nan 0.000 0.467 1099 I N 1.797 122.423 120.570 0.093 0.000 2.610 1099 I HA 0.097 4.267 4.170 0.001 0.000 0.289 1099 I C -1.374 174.817 176.117 0.123 0.000 1.163 1099 I CA -0.517 60.853 61.300 0.117 0.000 1.044 1099 I CB 1.942 40.003 38.000 0.101 0.000 1.251 1099 I HN 0.583 nan 8.210 nan 0.000 0.424 1100 E N 8.251 128.558 120.200 0.179 0.000 2.114 1100 E HA 0.343 4.694 4.350 0.001 0.000 0.266 1100 E C -1.092 175.638 176.600 0.216 0.000 0.896 1100 E CA -0.776 55.739 56.400 0.191 0.000 0.750 1100 E CB 1.025 30.848 29.700 0.206 0.000 1.121 1100 E HN 0.458 nan 8.360 nan 0.000 0.413 1101 I N 4.881 125.531 120.570 0.132 0.000 2.278 1101 I HA 0.107 4.277 4.170 0.001 0.000 0.296 1101 I C 1.067 177.243 176.117 0.099 0.000 1.121 1101 I CA 0.131 61.482 61.300 0.085 0.000 1.267 1101 I CB -0.173 37.860 38.000 0.054 0.000 1.447 1101 I HN 0.646 nan 8.210 nan 0.000 0.509 1102 A N 5.333 128.226 122.820 0.122 0.000 1.975 1102 A HA 0.128 4.448 4.320 0.001 0.000 0.215 1102 A C 1.134 178.757 177.584 0.065 0.000 1.170 1102 A CA 1.168 53.300 52.037 0.158 0.000 0.656 1102 A CB 0.130 19.311 19.000 0.301 0.000 0.821 1102 A HN 0.730 nan 8.150 nan 0.000 0.449 1103 S N -2.889 112.805 115.700 -0.009 0.000 2.727 1103 S HA 0.410 4.880 4.470 0.001 0.000 0.278 1103 S C 0.580 175.133 174.600 -0.078 0.000 1.186 1103 S CA 0.097 58.282 58.200 -0.026 0.000 0.836 1103 S CB -0.017 63.162 63.200 -0.034 0.000 1.186 1103 S HN 0.377 nan 8.310 nan 0.000 0.499 1104 I N 1.111 121.664 120.570 -0.028 0.000 2.530 1104 I HA -0.121 4.049 4.170 0.001 0.000 0.257 1104 I C 1.071 177.069 176.117 -0.198 0.000 1.179 1104 I CA 2.320 63.626 61.300 0.010 0.000 1.440 1104 I CB -0.120 38.003 38.000 0.205 0.000 1.087 1104 I HN 0.819 nan 8.210 nan 0.000 0.440 1105 D N -0.818 119.308 120.400 -0.457 0.000 2.540 1105 D HA 0.102 4.743 4.640 0.001 0.000 0.229 1105 D C -0.007 175.423 176.300 -1.449 0.000 1.250 1105 D CA -0.165 53.156 54.000 -1.133 0.000 0.817 1105 D CB 0.113 40.373 40.800 -0.901 0.000 1.060 1105 D HN 0.335 nan 8.370 nan 0.000 0.508 1106 E N 0.037 119.746 120.200 -0.818 0.000 2.256 1106 E HA 0.748 5.099 4.350 0.001 0.000 0.267 1106 E C -1.209 175.094 176.600 -0.495 0.000 0.892 1106 E CA -1.082 54.891 56.400 -0.713 0.000 0.775 1106 E CB 2.414 31.931 29.700 -0.305 0.000 1.207 1106 E HN 0.239 nan 8.360 nan 0.000 0.420 1107 A N 2.126 124.604 122.820 -0.571 0.000 2.574 1107 A HA 0.617 4.937 4.320 0.001 0.000 0.297 1107 A C -1.982 175.464 177.584 -0.229 0.000 1.062 1107 A CA -0.618 51.273 52.037 -0.244 0.000 0.686 1107 A CB 0.792 19.719 19.000 -0.123 0.000 1.285 1107 A HN 0.541 nan 8.150 nan 0.000 0.403 1108 Y N 0.194 120.599 120.300 0.175 0.000 2.387 1108 Y HA 0.680 5.230 4.550 0.001 0.000 0.336 1108 Y C -0.392 175.590 175.900 0.137 0.000 1.067 1108 Y CA -0.637 57.605 58.100 0.237 0.000 1.114 1108 Y CB 1.872 40.465 38.460 0.221 0.000 1.208 1108 Y HN 0.485 nan 8.280 nan 0.000 0.458 1109 L N 3.064 124.459 121.223 0.286 0.000 2.381 1109 L HA 0.323 4.663 4.340 0.001 0.000 0.274 1109 L C -0.409 176.569 176.870 0.180 0.000 0.988 1109 L CA -0.604 54.351 54.840 0.191 0.000 0.824 1109 L CB 1.541 43.682 42.059 0.137 0.000 1.263 1109 L HN 0.608 nan 8.230 nan 0.000 0.410 1110 D N 2.954 123.438 120.400 0.141 0.000 2.341 1110 D HA 0.485 5.125 4.640 0.001 0.000 0.245 1110 D C -0.880 175.479 176.300 0.098 0.000 1.106 1110 D CA 0.017 54.084 54.000 0.111 0.000 0.905 1110 D CB 1.139 41.988 40.800 0.081 0.000 1.202 1110 D HN 0.355 nan 8.370 nan 0.000 0.426 1111 I N 1.653 122.274 120.570 0.085 0.000 2.619 1111 I HA 0.173 4.344 4.170 0.001 0.000 0.292 1111 I C 0.557 176.701 176.117 0.045 0.000 1.100 1111 I CA -0.354 60.987 61.300 0.069 0.000 1.043 1111 I CB 2.108 40.153 38.000 0.076 0.000 1.239 1111 I HN 0.398 nan 8.210 nan 0.000 0.420 1112 S N 1.928 117.649 115.700 0.035 0.000 2.365 1112 S HA -0.103 4.367 4.470 0.001 0.000 0.126 1112 S C 0.729 175.341 174.600 0.020 0.000 0.626 1112 S CA 0.117 58.328 58.200 0.019 0.000 1.493 1112 S CB -0.364 62.845 63.200 0.015 0.000 0.946 1112 S HN 0.711 nan 8.310 nan 0.000 0.277 1113 D N 2.072 122.488 120.400 0.027 0.000 2.144 1113 D HA -0.003 4.637 4.640 0.001 0.000 0.199 1113 D C 0.213 176.532 176.300 0.032 0.000 0.984 1113 D CA 1.067 55.084 54.000 0.027 0.000 0.834 1113 D CB -0.062 40.757 40.800 0.031 0.000 0.955 1113 D HN 0.340 nan 8.370 nan 0.000 0.465 1114 K N 1.638 122.063 120.400 0.043 0.000 2.211 1114 K HA 0.328 4.648 4.320 0.001 0.000 0.275 1114 K C -0.040 176.583 176.600 0.039 0.000 1.024 1114 K CA -0.708 55.609 56.287 0.050 0.000 0.887 1114 K CB 2.101 34.646 32.500 0.074 0.000 1.084 1114 K HN -0.172 nan 8.250 nan 0.000 0.463 1115 V N 3.831 123.765 119.914 0.033 0.000 2.763 1115 V HA -0.014 4.106 4.120 0.001 0.000 0.306 1115 V C 0.926 177.025 176.094 0.008 0.000 1.059 1115 V CA -0.074 62.237 62.300 0.017 0.000 1.138 1115 V CB -0.127 31.706 31.823 0.017 0.000 0.940 1115 V HN 0.599 nan 8.190 nan 0.000 0.489 1116 R N 2.516 123.007 120.500 -0.015 0.000 2.546 1116 R HA 0.600 4.941 4.340 0.001 0.000 0.266 1116 R C -0.230 176.030 176.300 -0.067 0.000 1.086 1116 R CA -0.361 55.708 56.100 -0.053 0.000 1.160 1116 R CB 0.345 30.600 30.300 -0.076 0.000 1.138 1116 R HN 0.924 nan 8.270 nan 0.000 0.567 1117 D N -0.718 119.599 120.400 -0.138 0.000 10.327 1117 D HA -0.145 4.495 4.640 0.001 0.000 0.281 1117 D C -0.494 175.767 176.300 -0.065 0.000 2.922 1117 D CA -0.058 53.869 54.000 -0.123 0.000 2.796 1117 D CB -0.317 40.462 40.800 -0.035 0.000 1.091 1117 D HN 0.663 nan 8.370 nan 0.000 0.820 1118 Y N 2.016 122.338 120.300 0.036 0.000 2.439 1118 Y HA -0.029 4.522 4.550 0.001 0.000 0.292 1118 Y C 2.689 178.633 175.900 0.072 0.000 1.130 1118 Y CA 1.046 59.179 58.100 0.054 0.000 1.254 1118 Y CB 0.145 38.629 38.460 0.039 0.000 1.000 1118 Y HN 0.324 nan 8.280 nan 0.000 0.554 1119 R N 0.621 121.232 120.500 0.185 0.000 2.081 1119 R HA -0.151 4.190 4.340 0.001 0.000 0.235 1119 R C 2.041 178.431 176.300 0.150 0.000 1.131 1119 R CA 1.510 57.688 56.100 0.129 0.000 0.960 1119 R CB 0.010 30.352 30.300 0.071 0.000 0.856 1119 R HN 0.321 nan 8.270 nan 0.000 0.436 1120 E N 0.079 120.348 120.200 0.115 0.000 2.031 1120 E HA -0.197 4.153 4.350 0.001 0.000 0.193 1120 E C 2.000 178.671 176.600 0.118 0.000 0.994 1120 E CA 1.257 57.715 56.400 0.097 0.000 0.800 1120 E CB -0.280 29.457 29.700 0.062 0.000 0.752 1120 E HN 0.413 nan 8.360 nan 0.000 0.447 1121 A N 1.272 124.179 122.820 0.145 0.000 1.873 1121 A HA -0.255 4.065 4.320 0.001 0.000 0.218 1121 A C 2.147 179.819 177.584 0.147 0.000 1.193 1121 A CA 1.837 53.965 52.037 0.151 0.000 0.629 1121 A CB -1.155 17.982 19.000 0.229 0.000 0.826 1121 A HN 0.387 nan 8.150 nan 0.000 0.447 1122 Y N 1.469 121.814 120.300 0.075 0.000 2.151 1122 Y HA -0.293 4.258 4.550 0.001 0.000 0.284 1122 Y C 2.220 178.130 175.900 0.016 0.000 1.166 1122 Y CA 2.321 60.446 58.100 0.041 0.000 1.163 1122 Y CB -0.223 38.263 38.460 0.042 0.000 0.974 1122 Y HN 0.376 nan 8.280 nan 0.000 0.511 1123 N N 0.200 118.974 118.700 0.123 0.000 2.106 1123 N HA -0.163 4.577 4.740 0.001 0.000 0.188 1123 N C 1.814 177.291 175.510 -0.056 0.000 1.029 1123 N CA 1.349 54.416 53.050 0.029 0.000 0.848 1123 N CB -0.865 37.675 38.487 0.088 0.000 1.007 1123 N HN 0.408 nan 8.380 nan 0.000 0.423 1124 L N 1.124 122.326 121.223 -0.035 0.000 2.127 1124 L HA -0.018 4.322 4.340 0.001 0.000 0.211 1124 L C 1.944 178.694 176.870 -0.199 0.000 1.089 1124 L CA 1.663 56.448 54.840 -0.092 0.000 0.757 1124 L CB -1.053 40.979 42.059 -0.044 0.000 0.899 1124 L HN 0.173 nan 8.230 nan 0.000 0.434 1125 G N -0.500 108.192 108.800 -0.180 0.000 2.421 1125 G HA2 -0.250 3.711 3.960 0.001 0.000 0.216 1125 G HA3 -0.250 3.711 3.960 0.001 0.000 0.216 1125 G C 1.613 176.362 174.900 -0.251 0.000 1.171 1125 G CA 1.014 45.979 45.100 -0.225 0.000 0.775 1125 G HN 0.430 nan 8.290 nan 0.000 0.543 1126 L N 0.046 121.101 121.223 -0.280 0.000 2.079 1126 L HA -0.080 4.261 4.340 0.001 0.000 0.210 1126 L C 2.785 179.569 176.870 -0.143 0.000 1.081 1126 L CA 1.421 56.132 54.840 -0.216 0.000 0.752 1126 L CB -0.305 41.636 42.059 -0.197 0.000 0.896 1126 L HN 0.345 nan 8.230 nan 0.000 0.433 1127 E N 0.384 120.501 120.200 -0.138 0.000 2.110 1127 E HA -0.218 4.132 4.350 0.001 0.000 0.193 1127 E C 2.308 178.817 176.600 -0.153 0.000 0.988 1127 E CA 1.004 57.345 56.400 -0.098 0.000 0.804 1127 E CB 0.070 29.734 29.700 -0.060 0.000 0.745 1127 E HN 0.468 nan 8.360 nan 0.000 0.458 1128 I N 0.535 120.921 120.570 -0.307 0.000 2.233 1128 I HA -0.247 3.923 4.170 0.001 0.000 0.243 1128 I C 2.294 178.321 176.117 -0.151 0.000 1.093 1128 I CA 1.023 62.126 61.300 -0.328 0.000 1.380 1128 I CB -0.131 37.623 38.000 -0.410 0.000 1.067 1128 I HN 0.034 nan 8.210 nan 0.000 0.413 1129 K N 0.577 120.892 120.400 -0.142 0.000 2.113 1129 K HA -0.213 4.108 4.320 0.001 0.000 0.208 1129 K C 1.828 178.384 176.600 -0.072 0.000 1.047 1129 K CA 1.511 57.737 56.287 -0.102 0.000 0.928 1129 K CB -0.168 32.269 32.500 -0.105 0.000 0.716 1129 K HN 0.262 nan 8.250 nan 0.000 0.446 1130 N N 0.667 119.331 118.700 -0.061 0.000 2.171 1130 N HA -0.110 4.630 4.740 0.001 0.000 0.184 1130 N C 1.560 177.064 175.510 -0.009 0.000 1.021 1130 N CA 1.117 54.149 53.050 -0.030 0.000 0.854 1130 N CB -0.000 38.476 38.487 -0.018 0.000 0.994 1130 N HN 0.098 nan 8.380 nan 0.000 0.426 1131 K N 0.706 121.115 120.400 0.015 0.000 2.057 1131 K HA 0.122 4.442 4.320 0.001 0.000 0.206 1131 K C 1.969 178.574 176.600 0.008 0.000 1.050 1131 K CA 0.661 56.974 56.287 0.043 0.000 0.935 1131 K CB -0.059 32.520 32.500 0.132 0.000 0.715 1131 K HN 0.055 nan 8.250 nan 0.000 0.439 1132 I N 0.737 121.297 120.570 -0.018 0.000 2.163 1132 I HA -0.272 3.899 4.170 0.001 0.000 0.243 1132 I C 2.138 178.214 176.117 -0.069 0.000 1.085 1132 I CA 0.700 61.960 61.300 -0.067 0.000 1.347 1132 I CB -0.251 37.672 38.000 -0.127 0.000 1.044 1132 I HN 0.226 nan 8.210 nan 0.000 0.408 1133 L N 0.717 121.906 121.223 -0.057 0.000 2.131 1133 L HA -0.200 4.141 4.340 0.001 0.000 0.210 1133 L C 2.271 179.123 176.870 -0.030 0.000 1.092 1133 L CA 1.855 56.667 54.840 -0.046 0.000 0.759 1133 L CB -0.709 41.328 42.059 -0.038 0.000 0.903 1133 L HN 0.235 nan 8.230 nan 0.000 0.435 1134 E N -1.188 119.000 120.200 -0.021 0.000 2.060 1134 E HA -0.123 4.228 4.350 0.001 0.000 0.189 1134 E C 1.819 178.411 176.600 -0.013 0.000 0.974 1134 E CA 0.354 56.747 56.400 -0.012 0.000 0.808 1134 E CB 0.203 29.901 29.700 -0.003 0.000 0.768 1134 E HN 0.334 nan 8.360 nan 0.000 0.453 1135 K N 0.310 120.701 120.400 -0.015 0.000 2.167 1135 K HA -0.039 4.282 4.320 0.001 0.000 0.203 1135 K C 1.474 178.061 176.600 -0.022 0.000 1.052 1135 K CA 0.847 57.125 56.287 -0.015 0.000 0.956 1135 K CB 0.298 32.791 32.500 -0.011 0.000 0.735 1135 K HN 0.109 nan 8.250 nan 0.000 0.451 1136 E N -0.018 120.161 120.200 -0.035 0.000 2.541 1136 E HA 0.069 4.419 4.350 0.001 0.000 0.219 1136 E C -0.363 176.213 176.600 -0.041 0.000 0.922 1136 E CA 0.023 56.398 56.400 -0.041 0.000 1.095 1136 E CB 0.701 30.360 29.700 -0.068 0.000 1.112 1136 E HN 0.143 nan 8.360 nan 0.000 0.516 1137 K N 1.014 121.390 120.400 -0.040 0.000 3.117 1137 K HA -0.147 4.173 4.320 0.001 0.000 0.269 1137 K C -0.271 176.297 176.600 -0.052 0.000 1.098 1137 K CA 0.515 56.781 56.287 -0.036 0.000 0.785 1137 K CB -1.195 31.291 32.500 -0.024 0.000 1.242 1137 K HN 0.076 nan 8.250 nan 0.000 0.491 1138 I N 1.429 121.954 120.570 -0.076 0.000 2.406 1138 I HA 0.154 4.325 4.170 0.001 0.000 0.290 1138 I C 1.097 177.156 176.117 -0.097 0.000 0.999 1138 I CA -0.387 60.853 61.300 -0.100 0.000 1.124 1138 I CB 1.528 39.443 38.000 -0.141 0.000 1.289 1138 I HN 0.159 nan 8.210 nan 0.000 0.441 1139 T N 3.920 118.431 114.554 -0.072 0.000 2.909 1139 T HA 0.735 5.086 4.350 0.001 0.000 0.286 1139 T C -0.087 174.600 174.700 -0.022 0.000 1.002 1139 T CA -0.573 61.502 62.100 -0.043 0.000 1.074 1139 T CB 1.785 70.650 68.868 -0.005 0.000 0.984 1139 T HN 0.530 nan 8.240 nan 0.000 0.495 1140 V N -0.612 119.296 119.914 -0.010 0.000 3.078 1140 V HA 0.828 4.948 4.120 0.001 0.000 0.311 1140 V C -0.423 175.675 176.094 0.007 0.000 1.138 1140 V CA -0.958 61.366 62.300 0.041 0.000 1.007 1140 V CB 1.799 33.666 31.823 0.074 0.000 1.045 1140 V HN 1.023 nan 8.190 nan 0.000 0.432 1141 T N 2.141 116.698 114.554 0.006 0.000 2.829 1141 T HA 0.703 5.053 4.350 0.001 0.000 0.282 1141 T C -0.442 174.228 174.700 -0.051 0.000 0.990 1141 T CA -0.359 61.733 62.100 -0.012 0.000 1.028 1141 T CB 1.515 70.394 68.868 0.019 0.000 0.951 1141 T HN 0.757 nan 8.240 nan 0.000 0.460 1142 V N 2.164 122.056 119.914 -0.037 0.000 2.495 1142 V HA 0.784 4.904 4.120 0.001 0.000 0.298 1142 V C 0.482 176.602 176.094 0.044 0.000 1.031 1142 V CA -0.625 61.654 62.300 -0.036 0.000 0.871 1142 V CB 1.922 33.700 31.823 -0.074 0.000 0.988 1142 V HN 1.060 nan 8.190 nan 0.000 0.432 1143 G N 4.609 113.484 108.800 0.125 0.000 2.513 1143 G HA2 0.780 4.740 3.960 0.001 0.000 0.317 1143 G HA3 0.780 4.740 3.960 0.001 0.000 0.317 1143 G C -1.204 173.803 174.900 0.179 0.000 1.277 1143 G CA -0.462 44.741 45.100 0.172 0.000 0.955 1143 G HN 0.585 nan 8.290 nan 0.000 0.484 1144 I N 1.529 122.178 120.570 0.133 0.000 2.447 1144 I HA 0.575 4.746 4.170 0.001 0.000 0.287 1144 I C -0.001 176.163 176.117 0.079 0.000 1.023 1144 I CA -0.373 61.014 61.300 0.145 0.000 1.083 1144 I CB 2.161 40.252 38.000 0.152 0.000 1.245 1144 I HN 0.566 nan 8.210 nan 0.000 0.434 1145 S N 3.218 119.023 115.700 0.175 0.000 2.815 1145 S HA 0.322 4.792 4.470 0.001 0.000 0.296 1145 S C 0.182 174.959 174.600 0.296 0.000 1.224 1145 S CA -0.610 57.685 58.200 0.159 0.000 0.938 1145 S CB 1.273 64.555 63.200 0.135 0.000 1.285 1145 S HN 0.726 nan 8.310 nan 0.000 0.549 1146 K N 0.295 120.845 120.400 0.250 0.000 2.400 1146 K HA 0.232 4.552 4.320 0.001 0.000 0.194 1146 K C 0.209 176.926 176.600 0.196 0.000 1.033 1146 K CA 0.530 56.946 56.287 0.216 0.000 1.021 1146 K CB -0.372 32.216 32.500 0.147 0.000 0.808 1146 K HN 0.432 nan 8.250 nan 0.000 0.505 1147 N N -0.562 118.292 118.700 0.256 0.000 2.853 1147 N HA 0.174 4.914 4.740 0.001 0.000 0.258 1147 N C -0.342 175.321 175.510 0.256 0.000 1.444 1147 N CA -1.135 52.074 53.050 0.265 0.000 0.837 1147 N CB 1.082 39.804 38.487 0.391 0.000 1.489 1147 N HN -0.247 nan 8.380 nan 0.000 0.529 1148 K N -0.436 120.071 120.400 0.178 0.000 2.044 1148 K HA -0.118 4.202 4.320 0.001 0.000 0.210 1148 K C 1.371 178.010 176.600 0.066 0.000 1.049 1148 K CA 1.906 58.199 56.287 0.010 0.000 0.927 1148 K CB -0.500 31.774 32.500 -0.377 0.000 0.713 1148 K HN 0.336 nan 8.250 nan 0.000 0.443 1149 V N 0.639 120.573 119.914 0.035 0.000 2.358 1149 V HA -0.211 3.910 4.120 0.001 0.000 0.246 1149 V C 2.003 177.953 176.094 -0.240 0.000 1.047 1149 V CA 1.710 63.892 62.300 -0.197 0.000 1.035 1149 V CB -0.493 31.031 31.823 -0.497 0.000 0.658 1149 V HN 0.161 nan 8.190 nan 0.000 0.452 1150 F N 0.446 120.376 119.950 -0.032 0.000 2.367 1150 F HA 0.060 4.587 4.527 0.001 0.000 0.298 1150 F C 2.349 178.150 175.800 0.001 0.000 1.094 1150 F CA 0.900 58.887 58.000 -0.023 0.000 1.409 1150 F CB -0.781 38.218 39.000 -0.002 0.000 1.064 1150 F HN 0.063 nan 8.300 nan 0.000 0.528 1151 A N 0.181 123.119 122.820 0.197 0.000 1.883 1151 A HA -0.287 4.033 4.320 0.001 0.000 0.217 1151 A C 2.255 179.867 177.584 0.047 0.000 1.186 1151 A CA 2.106 54.243 52.037 0.168 0.000 0.624 1151 A CB -0.779 18.377 19.000 0.260 0.000 0.822 1151 A HN 0.340 nan 8.150 nan 0.000 0.444 1152 K N -0.509 119.769 120.400 -0.203 0.000 2.147 1152 K HA -0.060 4.261 4.320 0.001 0.000 0.205 1152 K C 1.741 178.268 176.600 -0.122 0.000 1.049 1152 K CA 1.407 57.425 56.287 -0.449 0.000 0.936 1152 K CB -0.301 31.827 32.500 -0.620 0.000 0.722 1152 K HN 0.537 nan 8.250 nan 0.000 0.446 1153 I N 0.760 121.276 120.570 -0.089 0.000 2.315 1153 I HA -0.222 3.949 4.170 0.001 0.000 0.248 1153 I C 2.426 178.561 176.117 0.031 0.000 1.117 1153 I CA 0.984 62.258 61.300 -0.043 0.000 1.404 1153 I CB -0.334 37.622 38.000 -0.074 0.000 1.071 1153 I HN 0.203 nan 8.210 nan 0.000 0.419 1154 A N 1.038 123.899 122.820 0.068 0.000 1.865 1154 A HA -0.240 4.081 4.320 0.001 0.000 0.217 1154 A C 2.590 180.228 177.584 0.090 0.000 1.191 1154 A CA 2.175 54.261 52.037 0.081 0.000 0.623 1154 A CB -1.077 17.978 19.000 0.092 0.000 0.826 1154 A HN 0.418 nan 8.150 nan 0.000 0.444 1155 A N 0.038 122.940 122.820 0.136 0.000 1.873 1155 A HA -0.279 4.042 4.320 0.001 0.000 0.218 1155 A C 1.796 179.443 177.584 0.104 0.000 1.193 1155 A CA 2.253 54.380 52.037 0.151 0.000 0.629 1155 A CB -0.911 18.267 19.000 0.296 0.000 0.826 1155 A HN 0.487 nan 8.150 nan 0.000 0.447 1156 D N -0.434 120.020 120.400 0.090 0.000 2.116 1156 D HA -0.182 4.459 4.640 0.001 0.000 0.193 1156 D C 2.010 178.340 176.300 0.050 0.000 0.998 1156 D CA 1.712 55.749 54.000 0.062 0.000 0.836 1156 D CB -0.386 40.432 40.800 0.029 0.000 0.951 1156 D HN 0.529 nan 8.370 nan 0.000 0.449 1157 M N -0.219 119.406 119.600 0.042 0.000 2.296 1157 M HA -0.032 4.448 4.480 0.001 0.000 0.265 1157 M C 1.600 177.920 176.300 0.033 0.000 1.064 1157 M CA 1.033 56.353 55.300 0.033 0.000 1.109 1157 M CB 0.110 32.728 32.600 0.030 0.000 1.396 1157 M HN -0.056 nan 8.290 nan 0.000 0.430 1158 A N -0.150 122.695 122.820 0.041 0.000 2.460 1158 A HA 0.175 4.495 4.320 0.001 0.000 0.258 1158 A C 0.839 178.438 177.584 0.024 0.000 1.300 1158 A CA -0.264 51.794 52.037 0.034 0.000 0.913 1158 A CB -0.126 18.901 19.000 0.045 0.000 1.031 1158 A HN 0.243 nan 8.150 nan 0.000 0.512 1159 K N 0.755 121.175 120.400 0.033 0.000 2.476 1159 K HA 0.157 4.478 4.320 0.001 0.000 0.263 1159 K C -1.900 174.677 176.600 -0.037 0.000 1.086 1159 K CA -1.145 55.162 56.287 0.033 0.000 0.880 1159 K CB -0.542 32.014 32.500 0.095 0.000 1.128 1159 K HN 0.020 nan 8.250 nan 0.000 0.497 1160 P HA -0.249 nan 4.420 nan 0.000 0.252 1160 P C -0.564 176.679 177.300 -0.095 0.000 1.084 1160 P CA 0.873 63.842 63.100 -0.218 0.000 0.762 1160 P CB -0.362 30.994 31.700 -0.574 0.000 0.657 1161 N N 0.766 119.449 118.700 -0.027 0.000 2.699 1161 N HA -0.190 4.551 4.740 0.001 0.000 0.256 1161 N C 0.222 175.715 175.510 -0.028 0.000 0.993 1161 N CA 1.393 54.431 53.050 -0.019 0.000 0.759 1161 N CB -0.945 37.532 38.487 -0.017 0.000 0.906 1161 N HN 0.665 nan 8.380 nan 0.000 0.541 1162 G N -0.166 108.623 108.800 -0.019 0.000 3.016 1162 G HA2 0.805 4.766 3.960 0.001 0.000 0.270 1162 G HA3 0.805 4.766 3.960 0.001 0.000 0.270 1162 G C -0.832 174.058 174.900 -0.017 0.000 1.352 1162 G CA -0.465 44.629 45.100 -0.011 0.000 1.060 1162 G HN 0.529 nan 8.290 nan 0.000 0.538 1163 I N -0.965 119.608 120.570 0.006 0.000 2.722 1163 I HA 0.688 4.859 4.170 0.001 0.000 0.292 1163 I C -1.853 174.330 176.117 0.109 0.000 1.267 1163 I CA -0.954 60.345 61.300 -0.002 0.000 1.036 1163 I CB 2.357 40.258 38.000 -0.165 0.000 1.281 1163 I HN 0.528 nan 8.210 nan 0.000 0.423 1164 K N 5.904 126.373 120.400 0.115 0.000 2.550 1164 K HA 0.636 4.956 4.320 0.001 0.000 0.252 1164 K C -2.237 174.419 176.600 0.093 0.000 0.943 1164 K CA -0.458 55.898 56.287 0.116 0.000 0.806 1164 K CB 2.063 34.606 32.500 0.072 0.000 1.289 1164 K HN 0.324 nan 8.250 nan 0.000 0.435 1165 V N 5.534 125.479 119.914 0.051 0.000 2.435 1165 V HA 0.539 4.659 4.120 0.001 0.000 0.290 1165 V C -0.069 175.931 176.094 -0.157 0.000 1.030 1165 V CA -0.702 61.543 62.300 -0.092 0.000 0.881 1165 V CB 1.442 33.174 31.823 -0.152 0.000 0.983 1165 V HN 0.706 nan 8.190 nan 0.000 0.445 1166 I N 5.427 125.866 120.570 -0.218 0.000 2.388 1166 I HA 0.275 4.445 4.170 0.001 0.000 0.281 1166 I C 0.253 176.167 176.117 -0.338 0.000 1.046 1166 I CA -0.414 60.777 61.300 -0.182 0.000 1.187 1166 I CB 0.948 38.922 38.000 -0.042 0.000 1.351 1166 I HN 0.768 nan 8.210 nan 0.000 0.472 1167 D N 4.561 124.768 120.400 -0.322 0.000 2.414 1167 D HA 0.008 4.648 4.640 0.001 0.000 0.251 1167 D C 0.355 176.603 176.300 -0.086 0.000 1.252 1167 D CA -0.310 53.543 54.000 -0.245 0.000 0.999 1167 D CB 1.276 42.022 40.800 -0.091 0.000 1.093 1167 D HN 0.320 nan 8.370 nan 0.000 0.515 1168 D N -0.211 120.208 120.400 0.032 0.000 2.182 1168 D HA -0.151 4.490 4.640 0.001 0.000 0.201 1168 D C 1.733 178.000 176.300 -0.055 0.000 0.986 1168 D CA 1.015 55.005 54.000 -0.017 0.000 0.847 1168 D CB 0.115 40.930 40.800 0.025 0.000 0.942 1168 D HN 0.441 nan 8.370 nan 0.000 0.467 1169 E N 0.966 121.144 120.200 -0.036 0.000 2.028 1169 E HA -0.142 4.208 4.350 0.001 0.000 0.191 1169 E C 1.974 178.541 176.600 -0.055 0.000 0.988 1169 E CA 0.680 57.056 56.400 -0.039 0.000 0.799 1169 E CB -0.256 29.429 29.700 -0.026 0.000 0.755 1169 E HN 0.501 nan 8.360 nan 0.000 0.447 1170 E N 0.608 120.769 120.200 -0.066 0.000 2.268 1170 E HA -0.096 4.254 4.350 0.001 0.000 0.195 1170 E C 2.149 178.702 176.600 -0.078 0.000 0.995 1170 E CA 0.516 56.880 56.400 -0.060 0.000 0.836 1170 E CB 0.126 29.791 29.700 -0.059 0.000 0.763 1170 E HN 0.032 nan 8.360 nan 0.000 0.491 1171 V N 1.638 121.458 119.914 -0.158 0.000 2.358 1171 V HA -0.229 3.891 4.120 0.001 0.000 0.246 1171 V C 2.184 178.170 176.094 -0.181 0.000 1.047 1171 V CA 1.477 63.592 62.300 -0.309 0.000 1.035 1171 V CB -0.368 31.131 31.823 -0.539 0.000 0.658 1171 V HN 0.169 nan 8.190 nan 0.000 0.452 1172 K N 0.227 120.555 120.400 -0.121 0.000 2.026 1172 K HA -0.195 4.126 4.320 0.001 0.000 0.208 1172 K C 2.319 178.903 176.600 -0.028 0.000 1.048 1172 K CA 1.521 57.770 56.287 -0.063 0.000 0.929 1172 K CB -0.371 32.099 32.500 -0.049 0.000 0.713 1172 K HN 0.334 nan 8.250 nan 0.000 0.439 1173 R N 1.266 121.751 120.500 -0.025 0.000 2.096 1173 R HA -0.136 4.205 4.340 0.001 0.000 0.240 1173 R C 2.450 178.758 176.300 0.013 0.000 1.139 1173 R CA 1.351 57.447 56.100 -0.007 0.000 0.952 1173 R CB -0.368 29.926 30.300 -0.010 0.000 0.854 1173 R HN 0.103 nan 8.270 nan 0.000 0.436 1174 L N 0.410 121.653 121.223 0.032 0.000 2.083 1174 L HA -0.190 4.151 4.340 0.001 0.000 0.209 1174 L C 2.436 179.362 176.870 0.093 0.000 1.083 1174 L CA 1.175 56.065 54.840 0.083 0.000 0.752 1174 L CB -0.277 41.890 42.059 0.181 0.000 0.899 1174 L HN 0.301 nan 8.230 nan 0.000 0.433 1175 I N -0.745 119.879 120.570 0.089 0.000 2.264 1175 I HA -0.320 3.850 4.170 0.001 0.000 0.248 1175 I C 2.727 178.864 176.117 0.032 0.000 1.111 1175 I CA 1.349 62.694 61.300 0.075 0.000 1.382 1175 I CB -0.236 37.796 38.000 0.054 0.000 1.060 1175 I HN 0.223 nan 8.210 nan 0.000 0.418 1176 R N 0.259 120.771 120.500 0.020 0.000 2.055 1176 R HA -0.071 4.270 4.340 0.001 0.000 0.226 1176 R C 2.221 178.526 176.300 0.007 0.000 1.135 1176 R CA 1.136 57.242 56.100 0.009 0.000 0.959 1176 R CB -0.133 30.169 30.300 0.004 0.000 0.854 1176 R HN 0.375 nan 8.270 nan 0.000 0.431 1177 E N 0.554 120.760 120.200 0.011 0.000 2.076 1177 E HA -0.090 4.260 4.350 0.001 0.000 0.190 1177 E C 0.140 176.743 176.600 0.005 0.000 0.979 1177 E CA 0.055 56.459 56.400 0.007 0.000 0.807 1177 E CB 0.023 29.728 29.700 0.008 0.000 0.761 1177 E HN -0.036 nan 8.360 nan 0.000 0.454 1178 L N 2.963 124.194 121.223 0.012 0.000 2.584 1178 L HA -0.049 4.292 4.340 0.001 0.000 0.272 1178 L C 0.026 176.888 176.870 -0.014 0.000 1.195 1178 L CA 0.407 55.248 54.840 0.001 0.000 0.920 1178 L CB 0.120 42.182 42.059 0.006 0.000 1.173 1178 L HN -0.092 nan 8.230 nan 0.000 0.489 1179 D N 3.529 123.919 120.400 -0.017 0.000 2.525 1179 D HA -0.163 4.478 4.640 0.001 0.000 0.235 1179 D C 1.246 177.526 176.300 -0.032 0.000 1.137 1179 D CA 0.211 54.198 54.000 -0.022 0.000 0.868 1179 D CB 0.756 41.544 40.800 -0.020 0.000 1.180 1179 D HN 0.651 nan 8.370 nan 0.000 0.465 1180 I N 4.112 124.663 120.570 -0.032 0.000 2.286 1180 I HA -0.223 3.947 4.170 0.001 0.000 0.248 1180 I C 2.130 178.223 176.117 -0.040 0.000 1.115 1180 I CA 1.665 62.941 61.300 -0.039 0.000 1.392 1180 I CB -0.197 37.783 38.000 -0.033 0.000 1.065 1180 I HN 0.525 nan 8.210 nan 0.000 0.418 1181 A N -0.714 122.086 122.820 -0.033 0.000 2.019 1181 A HA -0.196 4.125 4.320 0.001 0.000 0.219 1181 A C 1.948 179.510 177.584 -0.037 0.000 1.164 1181 A CA 1.832 53.850 52.037 -0.031 0.000 0.644 1181 A CB -0.668 18.317 19.000 -0.025 0.000 0.805 1181 A HN 0.464 nan 8.150 nan 0.000 0.449 1182 D N -0.317 120.058 120.400 -0.042 0.000 2.349 1182 D HA 0.084 4.725 4.640 0.001 0.000 0.224 1182 D C -0.082 176.171 176.300 -0.078 0.000 1.029 1182 D CA 0.295 54.265 54.000 -0.050 0.000 0.879 1182 D CB 0.156 40.931 40.800 -0.042 0.000 0.906 1182 D HN 0.155 nan 8.370 nan 0.000 0.528 1183 V N 2.992 122.854 119.914 -0.087 0.000 2.455 1183 V HA 0.121 4.241 4.120 0.001 0.000 0.273 1183 V C -2.000 174.051 176.094 -0.071 0.000 1.045 1183 V CA -1.536 60.689 62.300 -0.124 0.000 0.976 1183 V CB 1.026 32.765 31.823 -0.140 0.000 0.993 1183 V HN -0.098 nan 8.190 nan 0.000 0.475 1184 P HA 0.074 nan 4.420 nan 0.000 0.261 1184 P C 1.027 178.333 177.300 0.010 0.000 1.165 1184 P CA 1.695 64.766 63.100 -0.049 0.000 0.759 1184 P CB 0.339 31.993 31.700 -0.077 0.000 0.772 1185 G N 2.496 111.270 108.800 -0.043 0.000 2.195 1185 G HA2 -0.194 3.767 3.960 0.001 0.000 0.246 1185 G HA3 -0.194 3.767 3.960 0.001 0.000 0.246 1185 G C 0.033 174.914 174.900 -0.032 0.000 0.984 1185 G CA -0.463 44.588 45.100 -0.081 0.000 0.633 1185 G HN 0.484 nan 8.290 nan 0.000 0.525 1186 I N 2.181 122.748 120.570 -0.006 0.000 2.330 1186 I HA 0.592 4.762 4.170 0.001 0.000 0.289 1186 I C 1.105 177.207 176.117 -0.024 0.000 1.001 1186 I CA -0.136 61.158 61.300 -0.010 0.000 1.193 1186 I CB 0.420 38.415 38.000 -0.007 0.000 1.345 1186 I HN 0.163 nan 8.210 nan 0.000 0.461 1187 G N 4.615 113.399 108.800 -0.027 0.000 2.795 1187 G HA2 0.271 4.232 3.960 0.001 0.000 0.267 1187 G HA3 0.271 4.232 3.960 0.001 0.000 0.267 1187 G C 0.459 175.345 174.900 -0.024 0.000 1.362 1187 G CA -0.451 44.633 45.100 -0.027 0.000 1.048 1187 G HN 0.571 nan 8.290 nan 0.000 0.547 1188 N N -0.782 117.904 118.700 -0.022 0.000 2.331 1188 N HA -0.041 4.699 4.740 0.001 0.000 0.180 1188 N C 2.034 177.533 175.510 -0.020 0.000 1.019 1188 N CA 0.336 53.374 53.050 -0.020 0.000 0.881 1188 N CB 0.100 38.576 38.487 -0.018 0.000 0.972 1188 N HN 0.274 nan 8.380 nan 0.000 0.435 1189 I N 0.371 120.928 120.570 -0.021 0.000 2.333 1189 I HA -0.113 4.057 4.170 0.001 0.000 0.246 1189 I C 1.859 177.963 176.117 -0.022 0.000 1.106 1189 I CA 1.291 62.579 61.300 -0.021 0.000 1.411 1189 I CB -1.375 36.612 38.000 -0.022 0.000 1.082 1189 I HN 0.121 nan 8.210 nan 0.000 0.420 1190 T N 1.545 116.085 114.554 -0.024 0.000 2.737 1190 T HA -0.039 4.312 4.350 0.001 0.000 0.265 1190 T C 2.140 176.826 174.700 -0.024 0.000 1.038 1190 T CA 1.483 63.569 62.100 -0.024 0.000 1.144 1190 T CB -0.248 68.606 68.868 -0.023 0.000 0.866 1190 T HN 0.409 nan 8.240 nan 0.000 0.434 1191 A N 1.762 124.568 122.820 -0.023 0.000 1.873 1191 A HA -0.133 4.188 4.320 0.001 0.000 0.218 1191 A C 2.038 179.610 177.584 -0.021 0.000 1.193 1191 A CA 1.311 53.335 52.037 -0.022 0.000 0.629 1191 A CB -0.394 18.593 19.000 -0.021 0.000 0.826 1191 A HN 0.323 nan 8.150 nan 0.000 0.447 1192 E N -0.569 119.619 120.200 -0.020 0.000 2.416 1192 E HA 0.039 4.389 4.350 0.001 0.000 0.189 1192 E C 1.053 177.642 176.600 -0.019 0.000 1.091 1192 E CA 0.309 56.699 56.400 -0.018 0.000 0.889 1192 E CB 0.121 29.811 29.700 -0.016 0.000 1.015 1192 E HN 0.647 nan 8.360 nan 0.000 0.479 1193 K N -0.672 119.715 120.400 -0.021 0.000 2.329 1193 K HA 0.212 4.532 4.320 0.001 0.000 0.198 1193 K C 1.983 178.568 176.600 -0.025 0.000 1.085 1193 K CA -0.050 56.223 56.287 -0.023 0.000 0.961 1193 K CB 0.468 32.952 32.500 -0.026 0.000 0.971 1193 K HN 0.014 nan 8.250 nan 0.000 0.502 1194 L N 1.283 122.490 121.223 -0.027 0.000 2.109 1194 L HA -0.119 4.222 4.340 0.001 0.000 0.207 1194 L C 1.987 178.842 176.870 -0.024 0.000 1.086 1194 L CA 1.295 56.117 54.840 -0.029 0.000 0.760 1194 L CB -0.207 41.834 42.059 -0.031 0.000 0.910 1194 L HN 0.100 nan 8.230 nan 0.000 0.437 1195 K N -0.095 120.293 120.400 -0.021 0.000 2.147 1195 K HA -0.130 4.190 4.320 0.001 0.000 0.205 1195 K C 1.984 178.575 176.600 -0.016 0.000 1.049 1195 K CA 0.847 57.124 56.287 -0.017 0.000 0.936 1195 K CB 0.043 32.534 32.500 -0.016 0.000 0.722 1195 K HN 0.114 nan 8.250 nan 0.000 0.446 1196 K N 0.753 121.143 120.400 -0.016 0.000 2.280 1196 K HA -0.077 4.243 4.320 0.001 0.000 0.202 1196 K C 1.856 178.447 176.600 -0.015 0.000 1.047 1196 K CA 1.003 57.281 56.287 -0.015 0.000 0.942 1196 K CB -0.071 32.420 32.500 -0.015 0.000 0.739 1196 K HN 0.220 nan 8.250 nan 0.000 0.457 1197 L N -1.084 120.129 121.223 -0.018 0.000 2.416 1197 L HA 0.087 4.427 4.340 0.001 0.000 0.216 1197 L C 1.438 178.298 176.870 -0.016 0.000 1.098 1197 L CA 0.692 55.521 54.840 -0.018 0.000 0.840 1197 L CB 0.171 42.216 42.059 -0.024 0.000 0.981 1197 L HN 0.424 nan 8.230 nan 0.000 0.462 1198 G N 0.032 108.823 108.800 -0.016 0.000 2.352 1198 G HA2 -0.218 3.742 3.960 0.001 0.000 0.204 1198 G HA3 -0.218 3.742 3.960 0.001 0.000 0.204 1198 G C 0.364 175.255 174.900 -0.015 0.000 1.004 1198 G CA -0.413 44.679 45.100 -0.014 0.000 0.648 1198 G HN 0.112 nan 8.290 nan 0.000 0.491 1199 I N 2.642 123.201 120.570 -0.019 0.000 2.818 1199 I HA 0.015 4.186 4.170 0.001 0.000 0.285 1199 I C 1.274 177.378 176.117 -0.021 0.000 1.160 1199 I CA 0.150 61.438 61.300 -0.021 0.000 1.370 1199 I CB 0.331 38.315 38.000 -0.028 0.000 1.440 1199 I HN 0.162 nan 8.210 nan 0.000 0.555 1200 N N 4.854 123.543 118.700 -0.018 0.000 2.414 1200 N HA 0.074 4.814 4.740 0.001 0.000 0.177 1200 N C 0.374 175.872 175.510 -0.019 0.000 1.062 1200 N CA 0.655 53.695 53.050 -0.018 0.000 0.890 1200 N CB 0.590 39.068 38.487 -0.014 0.000 1.070 1200 N HN 0.423 nan 8.380 nan 0.000 0.454 1201 K N 0.542 120.931 120.400 -0.018 0.000 2.258 1201 K HA 0.241 4.561 4.320 0.001 0.000 0.236 1201 K C 1.125 177.712 176.600 -0.023 0.000 1.008 1201 K CA -0.682 55.595 56.287 -0.017 0.000 0.869 1201 K CB 1.203 33.697 32.500 -0.010 0.000 1.171 1201 K HN -0.148 nan 8.250 nan 0.000 0.447 1202 L N 1.051 122.260 121.223 -0.023 0.000 2.027 1202 L HA -0.145 4.196 4.340 0.001 0.000 0.206 1202 L C 2.097 178.955 176.870 -0.019 0.000 1.074 1202 L CA 1.273 56.093 54.840 -0.032 0.000 0.745 1202 L CB -0.058 41.986 42.059 -0.026 0.000 0.898 1202 L HN 0.388 nan 8.230 nan 0.000 0.433 1203 V N 0.151 120.062 119.914 -0.005 0.000 2.594 1203 V HA -0.283 3.837 4.120 0.001 0.000 0.253 1203 V C 1.782 177.874 176.094 -0.004 0.000 1.069 1203 V CA 2.127 64.427 62.300 -0.000 0.000 1.082 1203 V CB -0.440 31.385 31.823 0.003 0.000 0.680 1203 V HN 0.510 nan 8.190 nan 0.000 0.469 1204 D N 0.282 120.677 120.400 -0.009 0.000 2.221 1204 D HA -0.151 4.490 4.640 0.001 0.000 0.204 1204 D C 2.310 178.604 176.300 -0.011 0.000 0.982 1204 D CA 1.770 55.765 54.000 -0.009 0.000 0.857 1204 D CB -0.500 40.292 40.800 -0.013 0.000 0.934 1204 D HN 0.719 nan 8.370 nan 0.000 0.475 1205 T N -1.123 113.421 114.554 -0.017 0.000 2.929 1205 T HA -0.115 4.236 4.350 0.001 0.000 0.271 1205 T C 1.805 176.506 174.700 0.001 0.000 1.085 1205 T CA 0.506 62.594 62.100 -0.020 0.000 1.125 1205 T CB -0.493 68.356 68.868 -0.032 0.000 0.874 1205 T HN 0.188 nan 8.240 nan 0.000 0.494 1206 L N 1.026 122.255 121.223 0.009 0.000 2.693 1206 L HA 0.257 4.597 4.340 0.001 0.000 0.242 1206 L C 0.695 177.579 176.870 0.023 0.000 1.157 1206 L CA 0.044 54.898 54.840 0.023 0.000 0.929 1206 L CB -0.162 41.909 42.059 0.020 0.000 1.103 1206 L HN 0.174 nan 8.230 nan 0.000 0.430 1207 S N 0.369 116.079 115.700 0.017 0.000 2.612 1207 S HA 0.437 4.908 4.470 0.001 0.000 0.203 1207 S C -0.415 174.193 174.600 0.013 0.000 0.965 1207 S CA -0.310 57.900 58.200 0.016 0.000 1.157 1207 S CB 0.452 63.658 63.200 0.010 0.000 1.526 1207 S HN 0.041 nan 8.310 nan 0.000 0.423 1208 I N 1.490 122.071 120.570 0.018 0.000 2.610 1208 I HA 0.203 4.374 4.170 0.001 0.000 0.289 1208 I C -0.282 175.856 176.117 0.035 0.000 1.163 1208 I CA -0.275 61.032 61.300 0.012 0.000 1.044 1208 I CB 1.938 39.930 38.000 -0.013 0.000 1.251 1208 I HN 0.099 nan 8.210 nan 0.000 0.424 1209 E N 6.049 126.276 120.200 0.045 0.000 2.311 1209 E HA -0.071 4.280 4.350 0.001 0.000 0.247 1209 E C 0.842 177.516 176.600 0.124 0.000 1.215 1209 E CA 0.289 56.738 56.400 0.083 0.000 0.957 1209 E CB 0.043 29.780 29.700 0.062 0.000 1.020 1209 E HN 0.526 nan 8.360 nan 0.000 0.461 1210 F N 3.424 123.377 119.950 0.005 0.000 2.128 1210 F HA -0.489 4.038 4.527 0.001 0.000 0.272 1210 F C 1.831 177.635 175.800 0.007 0.000 1.090 1210 F CA 2.491 60.496 58.000 0.007 0.000 1.405 1210 F CB -0.036 38.969 39.000 0.008 0.000 0.898 1210 F HN 0.473 nan 8.300 nan 0.000 0.496 1211 D N -0.102 120.470 120.400 0.287 0.000 2.190 1211 D HA -0.212 4.429 4.640 0.001 0.000 0.200 1211 D C 2.207 178.530 176.300 0.038 0.000 0.992 1211 D CA 1.429 55.528 54.000 0.165 0.000 0.854 1211 D CB -0.349 40.531 40.800 0.133 0.000 0.936 1211 D HN 0.430 nan 8.370 nan 0.000 0.462 1212 K N -0.177 120.233 120.400 0.015 0.000 2.032 1212 K HA -0.172 4.149 4.320 0.001 0.000 0.209 1212 K C 2.110 178.669 176.600 -0.068 0.000 1.048 1212 K CA 0.752 57.028 56.287 -0.019 0.000 0.927 1212 K CB -0.145 32.348 32.500 -0.011 0.000 0.712 1212 K HN 0.046 nan 8.250 nan 0.000 0.441 1213 L N 1.563 122.703 121.223 -0.138 0.000 2.072 1213 L HA -0.104 4.237 4.340 0.001 0.000 0.205 1213 L C 2.243 178.970 176.870 -0.238 0.000 1.079 1213 L CA 1.706 56.420 54.840 -0.210 0.000 0.752 1213 L CB -0.439 41.431 42.059 -0.315 0.000 0.906 1213 L HN 0.062 nan 8.230 nan 0.000 0.436 1214 K N -0.772 119.446 120.400 -0.303 0.000 2.063 1214 K HA -0.154 4.167 4.320 0.001 0.000 0.208 1214 K C 1.883 178.442 176.600 -0.068 0.000 1.048 1214 K CA 1.512 57.692 56.287 -0.178 0.000 0.928 1214 K CB -0.593 31.891 32.500 -0.027 0.000 0.713 1214 K HN 0.465 nan 8.250 nan 0.000 0.442 1215 G N 0.354 109.126 108.800 -0.046 0.000 2.509 1215 G HA2 -0.187 3.773 3.960 0.001 0.000 0.218 1215 G HA3 -0.187 3.773 3.960 0.001 0.000 0.218 1215 G C 1.239 176.120 174.900 -0.032 0.000 1.124 1215 G CA 0.573 45.660 45.100 -0.023 0.000 0.776 1215 G HN 0.254 nan 8.290 nan 0.000 0.547 1216 M N 0.092 119.662 119.600 -0.050 0.000 2.556 1216 M HA 0.342 4.822 4.480 0.001 0.000 0.259 1216 M C 2.051 178.324 176.300 -0.045 0.000 1.175 1216 M CA 0.829 56.102 55.300 -0.044 0.000 1.202 1216 M CB 0.157 32.727 32.600 -0.049 0.000 1.298 1216 M HN 0.290 nan 8.290 nan 0.000 0.492 1217 I N -2.825 117.709 120.570 -0.060 0.000 4.082 1217 I HA 0.576 4.747 4.170 0.001 0.000 0.337 1217 I C 0.626 176.715 176.117 -0.046 0.000 1.352 1217 I CA 0.012 61.281 61.300 -0.051 0.000 1.097 1217 I CB -0.374 37.593 38.000 -0.054 0.000 1.048 1217 I HN 0.322 nan 8.210 nan 0.000 0.393 1218 G N 1.801 110.572 108.800 -0.048 0.000 2.746 1218 G HA2 -0.223 3.738 3.960 0.001 0.000 0.685 1218 G HA3 -0.223 3.738 3.960 0.001 0.000 0.685 1218 G C 0.016 174.900 174.900 -0.026 0.000 1.350 1218 G CA 0.171 45.255 45.100 -0.028 0.000 0.837 1218 G HN 0.393 nan 8.290 nan 0.000 0.564 1219 E N -0.019 120.193 120.200 0.020 0.000 2.028 1219 E HA -0.003 4.347 4.350 0.001 0.000 0.191 1219 E C 3.029 179.676 176.600 0.077 0.000 0.988 1219 E CA 1.691 58.137 56.400 0.077 0.000 0.799 1219 E CB -0.231 29.533 29.700 0.107 0.000 0.755 1219 E HN 0.960 nan 8.360 nan 0.000 0.447 1220 A N 1.287 124.138 122.820 0.051 0.000 1.892 1220 A HA -0.269 4.052 4.320 0.001 0.000 0.218 1220 A C 2.006 179.634 177.584 0.073 0.000 1.188 1220 A CA 1.908 53.977 52.037 0.053 0.000 0.631 1220 A CB -0.407 18.598 19.000 0.009 0.000 0.822 1220 A HN 0.101 nan 8.150 nan 0.000 0.447 1221 K N -0.783 119.642 120.400 0.041 0.000 2.155 1221 K HA 0.100 4.420 4.320 0.001 0.000 0.203 1221 K C 2.310 178.962 176.600 0.087 0.000 1.052 1221 K CA 0.768 57.104 56.287 0.081 0.000 0.948 1221 K CB -0.235 32.281 32.500 0.027 0.000 0.728 1221 K HN 0.453 nan 8.250 nan 0.000 0.448 1222 A N 2.059 124.870 122.820 -0.014 0.000 1.858 1222 A HA -0.215 4.106 4.320 0.001 0.000 0.216 1222 A C 1.848 179.452 177.584 0.033 0.000 1.190 1222 A CA 1.573 53.532 52.037 -0.131 0.000 0.617 1222 A CB -0.315 18.395 19.000 -0.483 0.000 0.827 1222 A HN 0.172 nan 8.150 nan 0.000 0.443 1223 K N -1.685 118.816 120.400 0.168 0.000 2.063 1223 K HA -0.206 4.115 4.320 0.001 0.000 0.208 1223 K C 2.020 178.750 176.600 0.217 0.000 1.048 1223 K CA 1.839 58.270 56.287 0.241 0.000 0.928 1223 K CB -0.449 32.188 32.500 0.230 0.000 0.713 1223 K HN 0.625 nan 8.250 nan 0.000 0.442 1224 Y N 1.814 122.164 120.300 0.084 0.000 2.114 1224 Y HA -0.181 4.370 4.550 0.001 0.000 0.284 1224 Y C 1.840 177.755 175.900 0.024 0.000 1.143 1224 Y CA 1.370 59.518 58.100 0.079 0.000 1.135 1224 Y CB -0.349 38.126 38.460 0.025 0.000 0.980 1224 Y HN -0.081 nan 8.280 nan 0.000 0.499 1225 L N -0.530 120.627 121.223 -0.110 0.000 2.093 1225 L HA -0.193 4.147 4.340 0.001 0.000 0.208 1225 L C 2.467 179.262 176.870 -0.125 0.000 1.085 1225 L CA 1.287 55.989 54.840 -0.229 0.000 0.755 1225 L CB -0.497 41.504 42.059 -0.097 0.000 0.904 1225 L HN 0.279 nan 8.230 nan 0.000 0.435 1226 I N -1.032 119.526 120.570 -0.020 0.000 2.202 1226 I HA -0.307 3.864 4.170 0.001 0.000 0.242 1226 I C 2.840 178.985 176.117 0.047 0.000 1.091 1226 I CA 1.277 62.599 61.300 0.037 0.000 1.368 1226 I CB -0.246 37.829 38.000 0.125 0.000 1.058 1226 I HN 0.180 nan 8.210 nan 0.000 0.410 1227 S N 0.840 116.584 115.700 0.073 0.000 2.370 1227 S HA -0.182 4.289 4.470 0.001 0.000 0.226 1227 S C 2.057 176.718 174.600 0.101 0.000 1.033 1227 S CA 1.438 59.704 58.200 0.110 0.000 1.011 1227 S CB -0.321 62.993 63.200 0.190 0.000 0.852 1227 S HN 0.281 nan 8.310 nan 0.000 0.457 1228 L N 0.906 122.124 121.223 -0.008 0.000 1.976 1228 L HA -0.125 4.216 4.340 0.001 0.000 0.209 1228 L C 2.941 179.846 176.870 0.059 0.000 1.071 1228 L CA 1.438 56.265 54.840 -0.020 0.000 0.746 1228 L CB -0.790 41.076 42.059 -0.323 0.000 0.890 1228 L HN 0.419 nan 8.230 nan 0.000 0.432 1229 A N -0.221 122.601 122.820 0.002 0.000 1.948 1229 A HA -0.237 4.083 4.320 0.001 0.000 0.220 1229 A C 2.294 179.899 177.584 0.035 0.000 1.177 1229 A CA 1.654 53.704 52.037 0.022 0.000 0.636 1229 A CB -0.569 18.432 19.000 0.001 0.000 0.815 1229 A HN 0.365 nan 8.150 nan 0.000 0.449 1230 R N -1.535 118.990 120.500 0.042 0.000 2.307 1230 R HA -0.044 4.296 4.340 0.001 0.000 0.199 1230 R C 0.122 176.444 176.300 0.037 0.000 1.000 1230 R CA 0.702 56.826 56.100 0.039 0.000 1.023 1230 R CB -0.111 30.217 30.300 0.047 0.000 0.908 1230 R HN 0.497 nan 8.270 nan 0.000 0.473 1231 D N 0.204 120.635 120.400 0.053 0.000 2.981 1231 D HA -0.167 4.473 4.640 0.001 0.000 0.223 1231 D C 0.111 176.444 176.300 0.054 0.000 1.151 1231 D CA 1.112 55.132 54.000 0.033 0.000 0.827 1231 D CB -0.970 39.818 40.800 -0.020 0.000 1.101 1231 D HN 0.464 nan 8.370 nan 0.000 0.426 1232 E N -1.266 118.988 120.200 0.089 0.000 2.434 1232 E HA 0.013 4.364 4.350 0.001 0.000 0.207 1232 E C 0.489 177.153 176.600 0.107 0.000 0.929 1232 E CA -0.490 55.956 56.400 0.076 0.000 1.001 1232 E CB 0.447 30.179 29.700 0.054 0.000 1.016 1232 E HN 0.462 nan 8.360 nan 0.000 0.502 1233 Y N 2.587 122.912 120.300 0.043 0.000 2.944 1233 Y HA -0.130 4.421 4.550 0.001 0.000 0.340 1233 Y C -0.437 175.498 175.900 0.059 0.000 1.275 1233 Y CA 0.493 58.624 58.100 0.051 0.000 1.590 1233 Y CB 0.224 38.709 38.460 0.043 0.000 1.218 1233 Y HN -0.137 nan 8.280 nan 0.000 0.576 1234 N N 5.154 123.502 118.700 -0.586 0.000 2.827 1234 N HA 0.080 4.821 4.740 0.001 0.000 0.240 1234 N C -1.897 173.321 175.510 -0.487 0.000 1.352 1234 N CA -0.526 52.270 53.050 -0.422 0.000 0.760 1234 N CB 0.736 39.133 38.487 -0.151 0.000 1.426 1234 N HN 0.578 nan 8.380 nan 0.000 0.561 1235 E N 1.595 121.415 120.200 -0.634 0.000 2.175 1235 E HA 0.480 4.831 4.350 0.001 0.000 0.278 1235 E C -2.113 174.381 176.600 -0.178 0.000 0.969 1235 E CA -1.621 54.580 56.400 -0.332 0.000 0.796 1235 E CB 1.650 31.192 29.700 -0.264 0.000 1.104 1235 E HN 0.295 nan 8.360 nan 0.000 0.395 1236 P HA 0.313 nan 4.420 nan 0.000 0.282 1236 P C -0.098 177.168 177.300 -0.057 0.000 1.249 1236 P CA -0.726 62.334 63.100 -0.067 0.000 0.806 1236 P CB 0.813 32.486 31.700 -0.045 0.000 0.984 1237 I N 2.995 123.547 120.570 -0.029 0.000 2.742 1237 I HA -0.012 4.159 4.170 0.001 0.000 0.287 1237 I C 1.292 177.417 176.117 0.013 0.000 1.186 1237 I CA 1.095 62.394 61.300 -0.002 0.000 1.417 1237 I CB -0.572 37.466 38.000 0.062 0.000 1.377 1237 I HN 0.430 nan 8.210 nan 0.000 0.556 1238 R N 2.883 123.391 120.500 0.014 0.000 2.698 1238 R HA 0.624 4.964 4.340 0.001 0.000 0.275 1238 R C -0.842 175.480 176.300 0.038 0.000 1.001 1238 R CA -0.775 55.337 56.100 0.020 0.000 0.896 1238 R CB 0.613 30.915 30.300 0.002 0.000 1.218 1238 R HN 0.321 nan 8.270 nan 0.000 0.462 1239 T N 2.707 117.285 114.554 0.040 0.000 2.916 1239 T HA 0.222 4.573 4.350 0.001 0.000 0.303 1239 T C -0.137 174.589 174.700 0.045 0.000 1.025 1239 T CA -0.074 62.054 62.100 0.047 0.000 1.142 1239 T CB 0.203 69.096 68.868 0.042 0.000 0.947 1239 T HN 0.340 nan 8.240 nan 0.000 0.544 1240 R N 1.182 121.714 120.500 0.053 0.000 2.732 1240 R HA 0.757 5.097 4.340 0.001 0.000 0.278 1240 R C -0.807 175.525 176.300 0.054 0.000 0.976 1240 R CA -0.885 55.246 56.100 0.052 0.000 0.963 1240 R CB 1.709 32.044 30.300 0.059 0.000 1.150 1240 R HN 0.511 nan 8.270 nan 0.000 0.478 1241 V N -0.708 119.241 119.914 0.058 0.000 3.049 1241 V HA 0.531 4.652 4.120 0.001 0.000 0.309 1241 V C -0.653 175.497 176.094 0.093 0.000 1.148 1241 V CA -1.376 60.966 62.300 0.069 0.000 0.990 1241 V CB 1.874 33.738 31.823 0.069 0.000 1.039 1241 V HN 0.619 nan 8.190 nan 0.000 0.430 1242 R N 1.955 122.520 120.500 0.108 0.000 2.399 1242 R HA 0.297 4.637 4.340 0.001 0.000 0.324 1242 R C 0.626 177.096 176.300 0.283 0.000 1.030 1242 R CA 0.728 56.921 56.100 0.156 0.000 0.984 1242 R CB 0.211 30.578 30.300 0.112 0.000 0.961 1242 R HN 0.860 nan 8.270 nan 0.000 0.433 1243 K N 1.136 121.664 120.400 0.212 0.000 2.284 1243 K HA 0.101 4.421 4.320 0.001 0.000 0.198 1243 K C 0.032 176.674 176.600 0.069 0.000 1.048 1243 K CA 0.779 57.148 56.287 0.137 0.000 0.987 1243 K CB 0.424 32.943 32.500 0.032 0.000 0.800 1243 K HN 0.699 nan 8.250 nan 0.000 0.486 1244 S N -0.130 115.679 115.700 0.183 0.000 2.569 1244 S HA 0.602 5.073 4.470 0.001 0.000 0.280 1244 S C -0.967 173.828 174.600 0.325 0.000 1.111 1244 S CA -0.983 57.323 58.200 0.176 0.000 0.887 1244 S CB 1.807 65.028 63.200 0.035 0.000 1.095 1244 S HN -0.091 nan 8.310 nan 0.000 0.476 1245 I N 1.573 122.377 120.570 0.389 0.000 2.607 1245 I HA 0.738 4.909 4.170 0.001 0.000 0.290 1245 I C 0.403 176.697 176.117 0.294 0.000 1.129 1245 I CA -0.147 61.329 61.300 0.294 0.000 1.042 1245 I CB 1.477 39.624 38.000 0.245 0.000 1.242 1245 I HN 1.107 nan 8.210 nan 0.000 0.421 1246 G N 4.786 113.712 108.800 0.211 0.000 2.721 1246 G HA2 0.790 4.750 3.960 0.001 0.000 0.296 1246 G HA3 0.790 4.750 3.960 0.001 0.000 0.296 1246 G C -1.721 173.280 174.900 0.167 0.000 1.383 1246 G CA -0.597 44.618 45.100 0.193 0.000 0.788 1246 G HN 0.465 nan 8.290 nan 0.000 0.500 1247 R N -1.387 119.202 120.500 0.147 0.000 2.643 1247 R HA 0.727 5.067 4.340 0.001 0.000 0.269 1247 R C -2.147 174.208 176.300 0.091 0.000 1.037 1247 R CA -0.584 55.593 56.100 0.129 0.000 0.894 1247 R CB 1.887 32.287 30.300 0.166 0.000 1.238 1247 R HN 0.865 nan 8.270 nan 0.000 0.459 1248 I N 2.837 123.451 120.570 0.072 0.000 2.692 1248 I HA 0.642 4.812 4.170 0.001 0.000 0.293 1248 I C -1.861 174.280 176.117 0.040 0.000 1.200 1248 I CA -0.514 60.811 61.300 0.043 0.000 1.036 1248 I CB 2.500 40.514 38.000 0.024 0.000 1.258 1248 I HN 0.370 nan 8.210 nan 0.000 0.421 1249 V N 5.184 125.112 119.914 0.022 0.000 2.841 1249 V HA 0.556 4.676 4.120 0.001 0.000 0.310 1249 V C -0.101 175.957 176.094 -0.060 0.000 1.090 1249 V CA -0.674 61.639 62.300 0.021 0.000 0.930 1249 V CB 2.127 34.007 31.823 0.094 0.000 1.014 1249 V HN 0.781 nan 8.190 nan 0.000 0.425 1250 T N 5.569 120.082 114.554 -0.068 0.000 2.869 1250 T HA 0.514 4.865 4.350 0.001 0.000 0.295 1250 T C -0.010 174.544 174.700 -0.244 0.000 0.987 1250 T CA -0.131 61.889 62.100 -0.134 0.000 1.109 1250 T CB 0.579 69.389 68.868 -0.096 0.000 0.932 1250 T HN 0.469 nan 8.240 nan 0.000 0.518 1251 M N 2.330 121.696 119.600 -0.391 0.000 2.409 1251 M HA 0.331 4.812 4.480 0.001 0.000 0.329 1251 M C 1.396 177.550 176.300 -0.243 0.000 1.180 1251 M CA -0.904 53.988 55.300 -0.680 0.000 1.053 1251 M CB 1.291 33.395 32.600 -0.828 0.000 1.586 1251 M HN 0.446 nan 8.290 nan 0.000 0.461 1252 K N 1.450 121.817 120.400 -0.054 0.000 2.089 1252 K HA -0.129 4.191 4.320 0.001 0.000 0.210 1252 K C 0.016 176.634 176.600 0.031 0.000 1.048 1252 K CA 1.668 57.997 56.287 0.069 0.000 0.926 1252 K CB 0.179 32.780 32.500 0.169 0.000 0.714 1252 K HN 0.667 nan 8.250 nan 0.000 0.448 1253 R N -1.267 119.231 120.500 -0.004 0.000 2.734 1253 R HA 0.351 4.691 4.340 0.001 0.000 0.271 1253 R C -1.017 175.261 176.300 -0.036 0.000 1.021 1253 R CA -0.922 55.178 56.100 -0.000 0.000 0.893 1253 R CB 0.556 30.875 30.300 0.031 0.000 1.244 1253 R HN -0.150 nan 8.270 nan 0.000 0.464 1254 N N 0.513 119.200 118.700 -0.023 0.000 2.518 1254 N HA 0.151 4.891 4.740 0.001 0.000 0.266 1254 N C -0.832 174.666 175.510 -0.020 0.000 1.196 1254 N CA 0.296 53.326 53.050 -0.032 0.000 0.947 1254 N CB 1.413 39.889 38.487 -0.019 0.000 1.098 1254 N HN 0.470 nan 8.380 nan 0.000 0.450 1255 S N 0.481 116.165 115.700 -0.027 0.000 2.542 1255 S HA 0.287 4.758 4.470 0.001 0.000 0.276 1255 S C -0.179 174.412 174.600 -0.013 0.000 1.148 1255 S CA -0.773 57.421 58.200 -0.011 0.000 0.886 1255 S CB 1.188 64.390 63.200 0.004 0.000 1.109 1255 S HN 0.585 nan 8.310 nan 0.000 0.458 1256 R N 2.106 122.603 120.500 -0.005 0.000 2.362 1256 R HA 0.233 4.574 4.340 0.001 0.000 0.227 1256 R C 0.476 176.776 176.300 -0.001 0.000 0.905 1256 R CA -0.172 55.925 56.100 -0.006 0.000 1.067 1256 R CB 0.031 30.329 30.300 -0.004 0.000 1.078 1256 R HN 0.588 nan 8.270 nan 0.000 0.516 1257 N N 1.995 120.698 118.700 0.006 0.000 2.405 1257 N HA -0.041 4.699 4.740 0.001 0.000 0.260 1257 N C 1.000 176.515 175.510 0.009 0.000 1.152 1257 N CA -0.259 52.798 53.050 0.011 0.000 0.948 1257 N CB 0.812 39.311 38.487 0.020 0.000 1.111 1257 N HN 0.020 nan 8.380 nan 0.000 0.485 1258 L N 4.397 125.622 121.223 0.004 0.000 1.990 1258 L HA -0.155 4.185 4.340 0.001 0.000 0.213 1258 L C 1.968 178.833 176.870 -0.007 0.000 1.072 1258 L CA 1.895 56.732 54.840 -0.006 0.000 0.755 1258 L CB -0.531 41.529 42.059 0.001 0.000 0.889 1258 L HN 0.639 nan 8.230 nan 0.000 0.432 1259 E N -0.515 119.692 120.200 0.011 0.000 2.409 1259 E HA -0.216 4.135 4.350 0.001 0.000 0.198 1259 E C 1.976 178.589 176.600 0.022 0.000 1.024 1259 E CA 0.707 57.119 56.400 0.021 0.000 0.861 1259 E CB 0.178 29.899 29.700 0.034 0.000 0.788 1259 E HN 0.678 nan 8.360 nan 0.000 0.521 1260 E N -0.122 120.096 120.200 0.030 0.000 2.170 1260 E HA -0.014 4.337 4.350 0.001 0.000 0.191 1260 E C 1.953 178.618 176.600 0.109 0.000 0.981 1260 E CA 0.200 56.637 56.400 0.062 0.000 0.830 1260 E CB 0.263 30.003 29.700 0.066 0.000 0.775 1260 E HN 0.194 nan 8.360 nan 0.000 0.470 1261 I N 0.403 121.010 120.570 0.062 0.000 2.585 1261 I HA -0.142 4.029 4.170 0.001 0.000 0.254 1261 I C 2.162 178.264 176.117 -0.025 0.000 1.129 1261 I CA 0.392 61.738 61.300 0.076 0.000 1.455 1261 I CB -0.064 37.933 38.000 -0.005 0.000 1.111 1261 I HN -0.024 nan 8.210 nan 0.000 0.433 1262 K N 1.124 121.426 120.400 -0.163 0.000 2.071 1262 K HA -0.220 4.100 4.320 0.001 0.000 0.217 1262 K C -0.542 175.694 176.600 -0.607 0.000 1.054 1262 K CA 2.249 58.240 56.287 -0.494 0.000 0.937 1262 K CB -1.384 30.910 32.500 -0.343 0.000 0.719 1262 K HN 0.289 nan 8.250 nan 0.000 0.454 1263 P HA -0.194 nan 4.420 nan 0.000 0.215 1263 P C 1.066 178.281 177.300 -0.143 0.000 1.153 1263 P CA 1.635 64.677 63.100 -0.096 0.000 0.853 1263 P CB -0.139 31.465 31.700 -0.159 0.000 0.788 1264 Y N -0.492 119.753 120.300 -0.091 0.000 2.181 1264 Y HA -0.129 4.421 4.550 0.000 0.000 0.288 1264 Y C 2.596 178.440 175.900 -0.092 0.000 1.146 1264 Y CA 0.780 58.842 58.100 -0.063 0.000 1.164 1264 Y CB -1.445 36.981 38.460 -0.056 0.000 0.982 1264 Y HN -0.147 nan 8.280 nan 0.000 0.515 1265 L N -0.913 120.275 121.223 -0.059 0.000 2.017 1265 L HA -0.207 4.133 4.340 0.001 0.000 0.208 1265 L C 1.922 178.725 176.870 -0.112 0.000 1.073 1265 L CA 1.740 56.491 54.840 -0.147 0.000 0.745 1265 L CB -0.950 40.919 42.059 -0.316 0.000 0.894 1265 L HN 0.072 nan 8.230 nan 0.000 0.432 1266 F N -0.112 119.768 119.950 -0.117 0.000 2.134 1266 F HA -0.140 4.387 4.527 0.001 0.000 0.299 1266 F C 2.769 178.515 175.800 -0.090 0.000 1.097 1266 F CA 1.434 59.274 58.000 -0.267 0.000 1.264 1266 F CB -1.119 37.684 39.000 -0.329 0.000 1.001 1266 F HN 0.101 nan 8.300 nan 0.000 0.479 1267 R N 0.418 121.010 120.500 0.153 0.000 2.096 1267 R HA -0.215 4.126 4.340 0.001 0.000 0.240 1267 R C 2.328 178.718 176.300 0.150 0.000 1.139 1267 R CA 1.622 57.798 56.100 0.127 0.000 0.952 1267 R CB -0.547 29.807 30.300 0.090 0.000 0.854 1267 R HN 0.272 nan 8.270 nan 0.000 0.436 1268 A N 0.642 123.551 122.820 0.149 0.000 1.930 1268 A HA -0.122 4.199 4.320 0.001 0.000 0.217 1268 A C 2.131 179.870 177.584 0.259 0.000 1.175 1268 A CA 1.266 53.407 52.037 0.174 0.000 0.627 1268 A CB -0.397 18.684 19.000 0.136 0.000 0.815 1268 A HN 0.343 nan 8.150 nan 0.000 0.443 1269 I N -0.556 120.184 120.570 0.283 0.000 2.163 1269 I HA -0.207 3.963 4.170 0.001 0.000 0.240 1269 I C 2.553 178.932 176.117 0.437 0.000 1.081 1269 I CA 1.244 62.807 61.300 0.438 0.000 1.353 1269 I CB -0.392 37.825 38.000 0.362 0.000 1.054 1269 I HN 0.298 nan 8.210 nan 0.000 0.407 1270 E N 0.964 121.359 120.200 0.325 0.000 2.070 1270 E HA -0.261 4.090 4.350 0.001 0.000 0.197 1270 E C 2.057 178.827 176.600 0.284 0.000 1.004 1270 E CA 1.548 58.122 56.400 0.290 0.000 0.805 1270 E CB -0.294 29.535 29.700 0.215 0.000 0.744 1270 E HN 0.575 nan 8.360 nan 0.000 0.451 1271 E N 0.379 120.721 120.200 0.237 0.000 2.106 1271 E HA -0.092 4.259 4.350 0.001 0.000 0.192 1271 E C 2.268 179.030 176.600 0.269 0.000 0.984 1271 E CA 0.712 57.241 56.400 0.214 0.000 0.806 1271 E CB -0.035 29.755 29.700 0.150 0.000 0.750 1271 E HN 0.031 nan 8.360 nan 0.000 0.458 1272 S N 0.331 116.209 115.700 0.296 0.000 2.348 1272 S HA -0.160 4.310 4.470 0.001 0.000 0.221 1272 S C 1.731 176.411 174.600 0.134 0.000 1.033 1272 S CA 1.095 59.458 58.200 0.271 0.000 1.010 1272 S CB -0.329 63.149 63.200 0.464 0.000 0.891 1272 S HN 0.323 nan 8.310 nan 0.000 0.442 1273 Y N -0.328 120.013 120.300 0.068 0.000 2.497 1273 Y HA -0.110 4.440 4.550 0.001 0.000 0.292 1273 Y C 2.086 178.011 175.900 0.041 0.000 1.137 1273 Y CA 1.108 59.195 58.100 -0.022 0.000 1.285 1273 Y CB -0.257 38.186 38.460 -0.028 0.000 0.991 1273 Y HN 0.399 nan 8.280 nan 0.000 0.556 1274 Y N 0.506 120.880 120.300 0.123 0.000 2.263 1274 Y HA -0.165 4.386 4.550 0.001 0.000 0.292 1274 Y C 2.254 178.165 175.900 0.018 0.000 1.130 1274 Y CA 1.468 59.607 58.100 0.064 0.000 1.179 1274 Y CB -0.055 38.444 38.460 0.066 0.000 0.998 1274 Y HN -0.130 nan 8.280 nan 0.000 0.532 1275 K N 0.425 120.869 120.400 0.074 0.000 2.062 1275 K HA -0.066 4.255 4.320 0.001 0.000 0.205 1275 K C 1.949 178.461 176.600 -0.146 0.000 1.051 1275 K CA 1.424 57.695 56.287 -0.027 0.000 0.941 1275 K CB -0.512 32.037 32.500 0.082 0.000 0.719 1275 K HN 0.394 nan 8.250 nan 0.000 0.440 1276 L N 0.575 121.693 121.223 -0.175 0.000 1.978 1276 L HA -0.241 4.099 4.340 0.001 0.000 0.218 1276 L C 0.271 176.981 176.870 -0.267 0.000 1.075 1276 L CA 1.413 56.082 54.840 -0.285 0.000 0.767 1276 L CB -0.818 40.994 42.059 -0.411 0.000 0.890 1276 L HN 0.472 nan 8.230 nan 0.000 0.434 1277 D N 0.066 120.333 120.400 -0.221 0.000 3.665 1277 D HA -0.257 4.384 4.640 0.001 0.000 0.206 1277 D C 0.623 176.821 176.300 -0.171 0.000 1.080 1277 D CA 1.016 54.897 54.000 -0.199 0.000 1.080 1277 D CB 0.036 40.671 40.800 -0.276 0.000 0.781 1277 D HN 0.442 nan 8.370 nan 0.000 0.401 1278 K N 0.379 120.705 120.400 -0.124 0.000 4.099 1278 K HA -0.251 4.070 4.320 0.001 0.000 0.439 1278 K C 0.672 177.203 176.600 -0.115 0.000 0.387 1278 K CA 1.405 57.631 56.287 -0.101 0.000 1.916 1278 K CB -1.310 31.131 32.500 -0.100 0.000 0.702 1278 K HN 0.616 nan 8.250 nan 0.000 0.499 1279 R N 1.456 121.838 120.500 -0.197 0.000 2.590 1279 R HA 0.343 4.683 4.340 0.001 0.000 0.274 1279 R C 0.283 176.487 176.300 -0.161 0.000 1.061 1279 R CA 0.303 56.250 56.100 -0.254 0.000 1.081 1279 R CB 0.294 30.240 30.300 -0.591 0.000 0.984 1279 R HN 0.193 nan 8.270 nan 0.000 0.448 1280 I N 5.226 125.794 120.570 -0.003 0.000 2.439 1280 I HA 0.309 4.479 4.170 0.001 0.000 0.285 1280 I C -2.230 174.030 176.117 0.238 0.000 1.021 1280 I CA -2.393 58.953 61.300 0.077 0.000 1.091 1280 I CB 2.180 40.225 38.000 0.076 0.000 1.242 1280 I HN 0.376 nan 8.210 nan 0.000 0.439 1281 P HA 0.339 nan 4.420 nan 0.000 0.286 1281 P C -0.448 176.979 177.300 0.211 0.000 1.261 1281 P CA -0.606 62.676 63.100 0.303 0.000 0.821 1281 P CB 1.968 33.877 31.700 0.348 0.000 1.013 1282 K N 0.820 121.314 120.400 0.156 0.000 2.356 1282 K HA 0.322 4.642 4.320 0.001 0.000 0.195 1282 K C 0.642 177.387 176.600 0.242 0.000 1.037 1282 K CA 0.311 56.697 56.287 0.165 0.000 1.014 1282 K CB 0.475 33.033 32.500 0.098 0.000 0.815 1282 K HN 0.533 nan 8.250 nan 0.000 0.507 1283 A N 1.350 124.294 122.820 0.207 0.000 2.393 1283 A HA 0.601 4.922 4.320 0.001 0.000 0.306 1283 A C -1.409 176.300 177.584 0.208 0.000 1.050 1283 A CA -0.655 51.490 52.037 0.179 0.000 0.724 1283 A CB 1.062 20.125 19.000 0.106 0.000 1.248 1283 A HN 0.202 nan 8.150 nan 0.000 0.424 1284 I N 2.545 123.168 120.570 0.089 0.000 2.498 1284 I HA 0.497 4.668 4.170 0.001 0.000 0.290 1284 I C -1.225 174.741 176.117 -0.252 0.000 1.032 1284 I CA -0.421 60.841 61.300 -0.064 0.000 1.073 1284 I CB 1.208 39.265 38.000 0.095 0.000 1.251 1284 I HN 0.754 nan 8.210 nan 0.000 0.426 1285 H N 6.250 125.195 119.070 -0.207 0.000 2.529 1285 H HA 0.391 4.948 4.556 0.001 0.000 0.348 1285 H C -1.026 174.211 175.328 -0.152 0.000 1.079 1285 H CA -0.753 55.214 56.048 -0.136 0.000 1.198 1285 H CB 2.562 32.255 29.762 -0.114 0.000 1.521 1285 H HN 0.258 nan 8.280 nan 0.000 0.514 1286 V N 4.334 124.247 119.914 -0.002 0.000 2.383 1286 V HA 0.140 4.261 4.120 0.001 0.000 0.275 1286 V C 0.244 176.337 176.094 -0.003 0.000 1.036 1286 V CA -0.590 61.698 62.300 -0.020 0.000 0.889 1286 V CB 1.411 33.219 31.823 -0.024 0.000 0.985 1286 V HN 0.419 nan 8.190 nan 0.000 0.459 1287 V N 4.268 124.174 119.914 -0.013 0.000 2.483 1287 V HA 0.852 4.972 4.120 0.001 0.000 0.295 1287 V C 0.266 176.347 176.094 -0.022 0.000 1.035 1287 V CA -0.393 61.898 62.300 -0.014 0.000 0.896 1287 V CB 1.756 33.567 31.823 -0.019 0.000 0.986 1287 V HN 0.984 nan 8.190 nan 0.000 0.447 1288 A N 4.256 127.062 122.820 -0.024 0.000 2.359 1288 A HA 0.792 5.113 4.320 0.001 0.000 0.303 1288 A C -1.007 176.558 177.584 -0.032 0.000 1.066 1288 A CA -0.511 51.507 52.037 -0.032 0.000 0.730 1288 A CB 1.751 20.732 19.000 -0.031 0.000 1.211 1288 A HN 0.606 nan 8.150 nan 0.000 0.439 1289 V N 3.615 123.506 119.914 -0.038 0.000 2.348 1289 V HA 0.367 4.488 4.120 0.001 0.000 0.270 1289 V C 1.026 177.098 176.094 -0.037 0.000 1.037 1289 V CA 0.122 62.401 62.300 -0.035 0.000 0.872 1289 V CB 0.879 32.679 31.823 -0.037 0.000 1.002 1289 V HN 1.094 nan 8.190 nan 0.000 0.464 1290 T N 0.965 115.502 114.554 -0.029 0.000 2.726 1290 T HA 0.105 4.456 4.350 0.001 0.000 0.294 1290 T C 1.212 175.897 174.700 -0.025 0.000 1.013 1290 T CA 0.031 62.115 62.100 -0.027 0.000 0.996 1290 T CB 0.828 69.683 68.868 -0.021 0.000 1.016 1290 T HN 0.716 nan 8.240 nan 0.000 0.529 1291 E N 0.645 120.832 120.200 -0.022 0.000 2.130 1291 E HA -0.237 4.114 4.350 0.001 0.000 0.196 1291 E C 0.676 177.268 176.600 -0.013 0.000 0.998 1291 E CA 1.744 58.134 56.400 -0.017 0.000 0.806 1291 E CB -0.293 29.400 29.700 -0.013 0.000 0.738 1291 E HN 0.868 nan 8.360 nan 0.000 0.459 1292 D N -0.367 120.026 120.400 -0.013 0.000 2.561 1292 D HA 0.052 4.692 4.640 0.001 0.000 0.232 1292 D C 0.594 176.886 176.300 -0.012 0.000 1.198 1292 D CA -0.108 53.886 54.000 -0.010 0.000 0.826 1292 D CB -0.398 40.396 40.800 -0.009 0.000 0.992 1292 D HN 0.305 nan 8.370 nan 0.000 0.490 1293 L N -1.831 119.382 121.223 -0.015 0.000 4.367 1293 L HA -0.251 4.089 4.340 0.001 0.000 0.424 1293 L C -0.291 176.568 176.870 -0.018 0.000 1.152 1293 L CA 0.564 55.394 54.840 -0.017 0.000 0.974 1293 L CB -1.702 40.348 42.059 -0.014 0.000 2.012 1293 L HN 0.205 nan 8.230 nan 0.000 0.922 1294 D N 1.097 121.486 120.400 -0.017 0.000 2.295 1294 D HA 0.464 5.104 4.640 0.001 0.000 0.248 1294 D C 0.410 176.698 176.300 -0.020 0.000 1.154 1294 D CA -0.254 53.735 54.000 -0.017 0.000 0.857 1294 D CB 0.736 41.527 40.800 -0.015 0.000 1.117 1294 D HN 0.125 nan 8.370 nan 0.000 0.468 1295 I N 3.040 123.598 120.570 -0.020 0.000 2.588 1295 I HA 0.142 4.313 4.170 0.001 0.000 0.283 1295 I C 0.061 176.167 176.117 -0.019 0.000 1.119 1295 I CA -0.248 61.039 61.300 -0.022 0.000 1.419 1295 I CB 0.937 38.923 38.000 -0.023 0.000 1.394 1295 I HN 0.044 nan 8.210 nan 0.000 0.562 1296 V N 4.833 124.736 119.914 -0.018 0.000 2.888 1296 V HA 0.504 4.625 4.120 0.001 0.000 0.309 1296 V C -0.500 175.589 176.094 -0.009 0.000 1.114 1296 V CA -0.443 61.849 62.300 -0.013 0.000 0.940 1296 V CB 2.442 34.257 31.823 -0.014 0.000 1.021 1296 V HN 0.914 nan 8.190 nan 0.000 0.426 1297 S N 4.587 120.288 115.700 0.002 0.000 2.546 1297 S HA 0.858 5.329 4.470 0.001 0.000 0.274 1297 S C -1.305 173.316 174.600 0.035 0.000 1.121 1297 S CA -1.092 57.121 58.200 0.022 0.000 0.887 1297 S CB 2.685 65.906 63.200 0.034 0.000 1.094 1297 S HN 0.568 nan 8.310 nan 0.000 0.474 1298 R N 0.759 121.277 120.500 0.031 0.000 2.628 1298 R HA 0.833 5.173 4.340 0.001 0.000 0.288 1298 R C 0.001 176.271 176.300 -0.050 0.000 0.980 1298 R CA -0.453 55.648 56.100 0.001 0.000 0.891 1298 R CB 1.850 32.139 30.300 -0.019 0.000 1.188 1298 R HN 1.042 nan 8.270 nan 0.000 0.450 1299 G N 0.546 109.248 108.800 -0.163 0.000 2.921 1299 G HA2 0.721 4.682 3.960 0.001 0.000 0.291 1299 G HA3 0.721 4.682 3.960 0.001 0.000 0.291 1299 G C -1.432 173.242 174.900 -0.376 0.000 1.370 1299 G CA -0.549 44.270 45.100 -0.469 0.000 0.847 1299 G HN 0.364 nan 8.290 nan 0.000 0.532 1300 R N -0.838 119.402 120.500 -0.434 0.000 2.594 1300 R HA 0.527 4.867 4.340 0.001 0.000 0.265 1300 R C -1.461 174.618 176.300 -0.369 0.000 1.070 1300 R CA -0.453 55.419 56.100 -0.380 0.000 0.909 1300 R CB 1.833 31.887 30.300 -0.410 0.000 1.243 1300 R HN 0.603 nan 8.270 nan 0.000 0.455 1301 T N 3.663 117.999 114.554 -0.363 0.000 2.867 1301 T HA 0.550 4.900 4.350 0.001 0.000 0.282 1301 T C -0.815 173.637 174.700 -0.414 0.000 1.000 1301 T CA -0.186 61.779 62.100 -0.224 0.000 1.042 1301 T CB 0.565 69.363 68.868 -0.116 0.000 0.973 1301 T HN 0.242 nan 8.240 nan 0.000 0.465 1302 F N 2.602 122.463 119.950 -0.148 0.000 2.523 1302 F HA 0.454 4.982 4.527 0.001 0.000 0.329 1302 F C -1.612 174.043 175.800 -0.242 0.000 1.061 1302 F CA -2.562 55.257 58.000 -0.301 0.000 0.967 1302 F CB 1.585 40.236 39.000 -0.581 0.000 1.218 1302 F HN 0.324 nan 8.300 nan 0.000 0.480 1303 P HA 0.053 nan 4.420 nan 0.000 0.261 1303 P C -0.905 176.460 177.300 0.107 0.000 1.352 1303 P CA 0.562 63.681 63.100 0.032 0.000 0.891 1303 P CB -0.194 31.546 31.700 0.066 0.000 1.383 1304 H N -3.032 116.136 119.070 0.163 0.000 2.928 1304 H HA 0.578 5.134 4.556 0.001 0.000 0.371 1304 H C -0.132 175.243 175.328 0.078 0.000 1.186 1304 H CA -1.209 54.897 56.048 0.097 0.000 1.134 1304 H CB 0.952 30.753 29.762 0.064 0.000 1.824 1304 H HN -0.137 nan 8.280 nan 0.000 0.554 1305 G N 0.782 109.702 108.800 0.200 0.000 2.559 1305 G HA2 0.318 4.278 3.960 0.001 0.000 0.235 1305 G HA3 0.318 4.278 3.960 0.001 0.000 0.235 1305 G C -0.096 174.871 174.900 0.113 0.000 1.266 1305 G CA -0.563 44.620 45.100 0.138 0.000 0.847 1305 G HN 0.558 nan 8.290 nan 0.000 0.583 1306 I N 1.905 122.526 120.570 0.084 0.000 2.307 1306 I HA 0.156 4.327 4.170 0.001 0.000 0.289 1306 I C 0.820 177.015 176.117 0.130 0.000 1.021 1306 I CA -0.480 60.845 61.300 0.041 0.000 1.224 1306 I CB 1.071 39.140 38.000 0.116 0.000 1.376 1306 I HN 0.483 nan 8.210 nan 0.000 0.470 1307 S N 4.631 120.351 115.700 0.034 0.000 2.596 1307 S HA 0.128 4.599 4.470 0.001 0.000 0.260 1307 S C 1.093 175.603 174.600 -0.150 0.000 1.336 1307 S CA -0.681 57.508 58.200 -0.018 0.000 0.993 1307 S CB 1.268 64.427 63.200 -0.068 0.000 0.923 1307 S HN 0.694 nan 8.310 nan 0.000 0.567 1308 K N 0.816 120.987 120.400 -0.381 0.000 2.057 1308 K HA -0.137 4.183 4.320 0.001 0.000 0.207 1308 K C 1.931 178.303 176.600 -0.380 0.000 1.049 1308 K CA 1.693 57.535 56.287 -0.741 0.000 0.931 1308 K CB -0.251 31.832 32.500 -0.696 0.000 0.714 1308 K HN 0.741 nan 8.250 nan 0.000 0.440 1309 E N -0.685 119.320 120.200 -0.325 0.000 2.107 1309 E HA -0.108 4.243 4.350 0.001 0.000 0.191 1309 E C 1.823 178.399 176.600 -0.040 0.000 0.982 1309 E CA 1.576 57.813 56.400 -0.270 0.000 0.809 1309 E CB 0.020 29.570 29.700 -0.251 0.000 0.756 1309 E HN 0.319 nan 8.360 nan 0.000 0.459 1310 T N 1.011 115.543 114.554 -0.037 0.000 2.788 1310 T HA -0.178 4.172 4.350 0.001 0.000 0.268 1310 T C 2.036 176.812 174.700 0.126 0.000 1.044 1310 T CA 1.173 63.283 62.100 0.018 0.000 1.139 1310 T CB -0.241 68.590 68.868 -0.062 0.000 0.867 1310 T HN 0.260 nan 8.240 nan 0.000 0.454 1311 A N 0.378 123.310 122.820 0.186 0.000 1.902 1311 A HA -0.069 4.251 4.320 0.001 0.000 0.217 1311 A C 2.033 179.857 177.584 0.400 0.000 1.181 1311 A CA 1.242 53.504 52.037 0.374 0.000 0.623 1311 A CB -1.084 18.220 19.000 0.506 0.000 0.818 1311 A HN 0.604 nan 8.150 nan 0.000 0.443 1312 Y N 0.276 120.660 120.300 0.140 0.000 2.128 1312 Y HA -0.242 4.309 4.550 0.001 0.000 0.284 1312 Y C 3.155 179.198 175.900 0.239 0.000 1.154 1312 Y CA 1.552 59.772 58.100 0.200 0.000 1.149 1312 Y CB -0.091 38.359 38.460 -0.016 0.000 0.976 1312 Y HN 0.321 nan 8.280 nan 0.000 0.505 1313 S N -0.669 115.214 115.700 0.306 0.000 2.357 1313 S HA -0.179 4.291 4.470 0.001 0.000 0.221 1313 S C 1.815 176.536 174.600 0.203 0.000 1.031 1313 S CA 1.306 59.639 58.200 0.221 0.000 0.982 1313 S CB -0.222 63.071 63.200 0.153 0.000 0.853 1313 S HN 0.343 nan 8.310 nan 0.000 0.458 1314 E N 1.820 122.150 120.200 0.217 0.000 2.106 1314 E HA -0.097 4.254 4.350 0.001 0.000 0.192 1314 E C 2.148 178.851 176.600 0.172 0.000 0.984 1314 E CA 1.410 57.942 56.400 0.220 0.000 0.806 1314 E CB -0.288 29.602 29.700 0.315 0.000 0.750 1314 E HN 0.526 nan 8.360 nan 0.000 0.458 1315 S N -0.787 115.021 115.700 0.180 0.000 2.382 1315 S HA -0.152 4.319 4.470 0.001 0.000 0.228 1315 S C 2.126 176.765 174.600 0.066 0.000 1.027 1315 S CA 1.246 59.514 58.200 0.113 0.000 0.991 1315 S CB -0.716 62.558 63.200 0.123 0.000 0.823 1315 S HN 0.127 nan 8.310 nan 0.000 0.469 1316 V N 2.438 122.411 119.914 0.097 0.000 2.407 1316 V HA -0.165 3.955 4.120 0.001 0.000 0.248 1316 V C 2.630 178.755 176.094 0.052 0.000 1.055 1316 V CA 2.062 64.400 62.300 0.063 0.000 1.049 1316 V CB -0.717 31.177 31.823 0.120 0.000 0.662 1316 V HN 0.525 nan 8.190 nan 0.000 0.455 1317 K N -0.156 120.287 120.400 0.071 0.000 2.097 1317 K HA -0.065 4.256 4.320 0.001 0.000 0.205 1317 K C 2.079 178.697 176.600 0.030 0.000 1.050 1317 K CA 1.202 57.521 56.287 0.054 0.000 0.938 1317 K CB -0.255 32.286 32.500 0.069 0.000 0.718 1317 K HN 0.353 nan 8.250 nan 0.000 0.442 1318 L N 0.602 121.842 121.223 0.028 0.000 2.056 1318 L HA -0.155 4.185 4.340 0.001 0.000 0.207 1318 L C 2.381 179.249 176.870 -0.005 0.000 1.078 1318 L CA 0.447 55.289 54.840 0.003 0.000 0.749 1318 L CB -0.400 41.657 42.059 -0.003 0.000 0.901 1318 L HN 0.151 nan 8.230 nan 0.000 0.433 1319 L N -0.172 121.047 121.223 -0.008 0.000 2.083 1319 L HA -0.237 4.104 4.340 0.001 0.000 0.209 1319 L C 2.512 179.374 176.870 -0.014 0.000 1.083 1319 L CA 1.747 56.574 54.840 -0.021 0.000 0.752 1319 L CB -0.554 41.480 42.059 -0.041 0.000 0.899 1319 L HN 0.251 nan 8.230 nan 0.000 0.433 1320 Q N -0.476 119.322 119.800 -0.004 0.000 2.050 1320 Q HA -0.283 4.057 4.340 0.001 0.000 0.202 1320 Q C 2.314 178.313 176.000 -0.002 0.000 0.980 1320 Q CA 2.080 57.883 55.803 0.001 0.000 0.840 1320 Q CB -0.292 28.452 28.738 0.010 0.000 0.898 1320 Q HN 0.497 nan 8.270 nan 0.000 0.424 1321 K N 0.755 121.154 120.400 -0.002 0.000 2.113 1321 K HA -0.195 4.126 4.320 0.001 0.000 0.208 1321 K C 1.944 178.540 176.600 -0.008 0.000 1.047 1321 K CA 1.262 57.546 56.287 -0.005 0.000 0.928 1321 K CB -0.101 32.394 32.500 -0.009 0.000 0.716 1321 K HN 0.187 nan 8.250 nan 0.000 0.446 1322 I N 0.590 121.154 120.570 -0.010 0.000 2.142 1322 I HA -0.295 3.875 4.170 0.001 0.000 0.240 1322 I C 2.084 178.195 176.117 -0.011 0.000 1.078 1322 I CA 0.792 62.086 61.300 -0.011 0.000 1.343 1322 I CB -0.298 37.693 38.000 -0.015 0.000 1.046 1322 I HN 0.155 nan 8.210 nan 0.000 0.405 1323 L N 0.727 121.944 121.223 -0.010 0.000 2.042 1323 L HA -0.216 4.125 4.340 0.001 0.000 0.210 1323 L C 2.466 179.332 176.870 -0.005 0.000 1.076 1323 L CA 1.780 56.615 54.840 -0.009 0.000 0.749 1323 L CB -0.971 41.083 42.059 -0.008 0.000 0.893 1323 L HN 0.250 nan 8.230 nan 0.000 0.432 1324 E N -0.527 119.671 120.200 -0.004 0.000 2.153 1324 E HA -0.211 4.139 4.350 0.001 0.000 0.194 1324 E C 1.097 177.694 176.600 -0.004 0.000 0.988 1324 E CA 1.258 57.657 56.400 -0.002 0.000 0.811 1324 E CB -0.024 29.676 29.700 -0.001 0.000 0.746 1324 E HN 0.581 nan 8.360 nan 0.000 0.466 1325 E N 0.284 120.480 120.200 -0.005 0.000 2.558 1325 E HA 0.132 4.483 4.350 0.001 0.000 0.205 1325 E C -0.957 175.639 176.600 -0.007 0.000 1.006 1325 E CA -0.100 56.297 56.400 -0.006 0.000 0.961 1325 E CB 0.693 30.389 29.700 -0.007 0.000 1.044 1325 E HN 0.003 nan 8.360 nan 0.000 0.465 1326 D N -0.454 119.942 120.400 -0.007 0.000 2.688 1326 D HA 0.086 4.726 4.640 0.001 0.000 0.210 1326 D C -0.311 175.985 176.300 -0.008 0.000 1.333 1326 D CA -0.165 53.830 54.000 -0.008 0.000 0.920 1326 D CB 1.088 41.882 40.800 -0.010 0.000 1.554 1326 D HN -0.204 nan 8.370 nan 0.000 0.579 1327 E N 1.270 121.466 120.200 -0.007 0.000 2.489 1327 E HA 0.156 4.506 4.350 0.001 0.000 0.193 1327 E C 0.220 176.816 176.600 -0.007 0.000 1.057 1327 E CA 0.245 56.641 56.400 -0.006 0.000 0.866 1327 E CB 0.327 30.024 29.700 -0.005 0.000 0.916 1327 E HN 0.296 nan 8.360 nan 0.000 0.500 1328 R N 0.926 121.420 120.500 -0.009 0.000 2.679 1328 R HA 0.192 4.533 4.340 0.001 0.000 0.269 1328 R C 0.074 176.366 176.300 -0.013 0.000 1.076 1328 R CA 0.068 56.161 56.100 -0.011 0.000 1.160 1328 R CB 0.547 30.840 30.300 -0.012 0.000 1.054 1328 R HN -0.046 nan 8.270 nan 0.000 0.507 1329 K N 1.398 121.789 120.400 -0.014 0.000 2.154 1329 K HA 0.310 4.630 4.320 0.001 0.000 0.264 1329 K C -0.037 176.547 176.600 -0.026 0.000 1.008 1329 K CA -0.304 55.972 56.287 -0.017 0.000 0.937 1329 K CB 0.805 33.296 32.500 -0.014 0.000 1.002 1329 K HN 0.349 nan 8.250 nan 0.000 0.469 1330 I N 2.270 122.820 120.570 -0.034 0.000 2.359 1330 I HA 0.195 4.365 4.170 0.001 0.000 0.294 1330 I C 1.344 177.421 176.117 -0.067 0.000 0.987 1330 I CA -0.306 60.964 61.300 -0.049 0.000 1.225 1330 I CB 1.541 39.508 38.000 -0.055 0.000 1.366 1330 I HN 0.699 nan 8.210 nan 0.000 0.466 1331 R N 5.200 125.658 120.500 -0.070 0.000 2.123 1331 R HA 0.272 4.612 4.340 0.001 0.000 0.209 1331 R C 0.145 176.369 176.300 -0.127 0.000 1.078 1331 R CA 0.410 56.459 56.100 -0.085 0.000 1.028 1331 R CB 0.622 30.888 30.300 -0.057 0.000 0.939 1331 R HN 0.564 nan 8.270 nan 0.000 0.463 1332 R N 0.253 120.688 120.500 -0.109 0.000 2.621 1332 R HA 0.363 4.704 4.340 0.001 0.000 0.284 1332 R C -1.563 174.680 176.300 -0.095 0.000 0.998 1332 R CA -0.876 55.152 56.100 -0.119 0.000 0.895 1332 R CB 2.143 32.395 30.300 -0.080 0.000 1.195 1332 R HN -0.009 nan 8.270 nan 0.000 0.450 1333 I N 0.524 121.034 120.570 -0.100 0.000 2.646 1333 I HA 0.766 4.937 4.170 0.001 0.000 0.299 1333 I C -0.267 175.836 176.117 -0.023 0.000 1.036 1333 I CA -0.257 61.007 61.300 -0.060 0.000 1.074 1333 I CB 2.221 40.183 38.000 -0.063 0.000 1.258 1333 I HN 0.796 nan 8.210 nan 0.000 0.430 1334 G N 4.260 113.052 108.800 -0.013 0.000 2.634 1334 G HA2 0.648 4.608 3.960 0.001 0.000 0.309 1334 G HA3 0.648 4.608 3.960 0.001 0.000 0.309 1334 G C -2.097 172.801 174.900 -0.004 0.000 1.299 1334 G CA -0.228 44.877 45.100 0.009 0.000 0.798 1334 G HN 0.913 nan 8.290 nan 0.000 0.490 1335 V N -0.323 119.590 119.914 -0.002 0.000 3.077 1335 V HA 0.890 5.010 4.120 0.001 0.000 0.299 1335 V C -1.533 174.493 176.094 -0.113 0.000 1.276 1335 V CA -0.735 61.516 62.300 -0.082 0.000 0.993 1335 V CB 2.246 34.024 31.823 -0.075 0.000 1.076 1335 V HN 1.417 nan 8.190 nan 0.000 0.434 1336 R N 3.867 124.222 120.500 -0.240 0.000 2.651 1336 R HA 0.731 5.071 4.340 0.001 0.000 0.278 1336 R C -2.306 173.797 176.300 -0.328 0.000 1.010 1336 R CA -0.578 55.421 56.100 -0.169 0.000 0.896 1336 R CB 1.824 32.090 30.300 -0.056 0.000 1.211 1336 R HN 0.430 nan 8.270 nan 0.000 0.456 1337 F N 1.403 121.428 119.950 0.125 0.000 2.469 1337 F HA 0.598 5.126 4.527 0.001 0.000 0.332 1337 F C 0.112 175.912 175.800 0.001 0.000 1.103 1337 F CA -0.203 57.868 58.000 0.119 0.000 0.979 1337 F CB 2.486 41.565 39.000 0.132 0.000 1.137 1337 F HN 0.848 nan 8.300 nan 0.000 0.463 1338 S N 0.412 116.098 115.700 -0.024 0.000 2.732 1338 S HA 0.667 5.138 4.470 0.001 0.000 0.293 1338 S C -1.162 173.084 174.600 -0.590 0.000 1.159 1338 S CA -1.477 56.447 58.200 -0.460 0.000 0.847 1338 S CB 1.635 64.712 63.200 -0.205 0.000 1.169 1338 S HN 0.568 nan 8.310 nan 0.000 0.501 1339 K N 0.356 120.381 120.400 -0.625 0.000 4.868 1339 K HA -0.141 4.180 4.320 0.001 0.000 0.314 1339 K C -1.351 175.100 176.600 -0.248 0.000 0.932 1339 K CA 0.305 56.397 56.287 -0.327 0.000 0.998 1339 K CB -1.778 30.653 32.500 -0.116 0.000 1.704 1339 K HN 0.416 nan 8.250 nan 0.000 0.426 1340 F N 1.397 121.380 119.950 0.054 0.000 2.371 1340 F HA 0.416 4.943 4.527 0.001 0.000 0.329 1340 F C 1.704 177.524 175.800 0.034 0.000 1.107 1340 F CA -1.155 56.868 58.000 0.039 0.000 1.137 1340 F CB 0.428 39.441 39.000 0.021 0.000 1.214 1340 F HN 0.084 nan 8.300 nan 0.000 0.536 1341 I N 0.000 120.709 120.570 0.231 0.000 2.984 1341 I HA 0.000 4.170 4.170 0.001 0.000 0.288 1341 I CA 0.000 61.381 61.300 0.135 0.000 1.566 1341 I CB 0.000 38.062 38.000 0.103 0.000 1.214 1341 I HN 0.000 nan 8.210 nan 0.000 0.494