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 1il2_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MRTEYCGQLR LSHVGQQVTL CGWVNRRRDL GSLIFIDMRD REGIVQVFFD DATA SEQUENCE PDRADALKLA SELRNEFCIQ VTGTVRARDE KNINRDMATG EIEVLASSLT DATA SEQUENCE IINRADVLPL DSNHVNTEEA RLKYRYLDLR RPEMAQRLKT RAKITSLVRR DATA SEQUENCE FMDDHGFLDI ETPMLTKATP EGARDYLVPS RVHKGKFYAL PQSPQLFKQL DATA SEQUENCE LMMSGFDRYY QIVKCFRDED LRADRQPEFT QIDVETSFMT APQVREVMEA DATA SEQUENCE LVRHLWLEVK GVDLGDFPVM TFAEAERRYG SDKPDLRNPM ELTDVADLLK DATA SEQUENCE SVEFAVFAGP ANDPKGRVAA LRVPGGASLT RKQIDEYGNF VKIYGAKGLA DATA SEQUENCE YIKVNERAKG LEGINSPVAK FLNAEIIEDI LDRTAAQDGD MIFFGADNKK DATA SEQUENCE IVADAMGALR LKVGKDLGLT DESKWAPLWV IDFPMFEDDG EGGLTAMHHP DATA SEQUENCE FTSPKDMTAA ELKAAPENAV ANAYDMVING YEVGGGSVRI HNGDMQQTVF DATA SEQUENCE GILGINEEEQ REKFGFLLDA LKYGTPPHAG LAFGLDRLTM LLTGTDNIRD DATA SEQUENCE VIAFPKTTAA ACLMTEAPSF ANPTALAELS IQVVK 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.241 176.300 -0.099 0.000 1.140 1001 M CA 0.000 55.252 55.300 -0.080 0.000 0.988 1001 M CB 0.000 32.565 32.600 -0.059 0.000 1.302 1002 R N 0.074 120.489 120.500 -0.140 0.000 2.919 1002 R HA 0.635 4.971 4.340 -0.007 0.000 0.284 1002 R C 0.464 176.677 176.300 -0.144 0.000 1.104 1002 R CA 0.796 56.794 56.100 -0.171 0.000 1.207 1002 R CB -0.097 30.033 30.300 -0.284 0.000 1.162 1002 R HN 0.462 nan 8.270 nan 0.000 0.561 1003 T N -4.569 109.897 114.554 -0.146 0.000 3.252 1003 T HA 0.265 4.611 4.350 -0.007 0.000 0.295 1003 T C -0.510 174.124 174.700 -0.111 0.000 0.897 1003 T CA -0.443 61.593 62.100 -0.106 0.000 0.905 1003 T CB 0.269 69.088 68.868 -0.082 0.000 1.202 1003 T HN 0.650 nan 8.240 nan 0.000 0.592 1004 E N -0.195 119.913 120.200 -0.153 0.000 2.388 1004 E HA 0.507 4.853 4.350 -0.007 0.000 0.281 1004 E C -2.220 174.296 176.600 -0.140 0.000 1.046 1004 E CA -0.647 55.691 56.400 -0.103 0.000 0.825 1004 E CB 1.205 30.837 29.700 -0.115 0.000 1.243 1004 E HN 0.279 nan 8.360 nan 0.000 0.438 1005 Y N 1.962 122.259 120.300 -0.005 0.000 2.313 1005 Y HA 0.171 4.716 4.550 -0.009 0.000 0.332 1005 Y C 1.350 177.273 175.900 0.038 0.000 1.071 1005 Y CA -0.461 57.654 58.100 0.025 0.000 1.169 1005 Y CB 0.788 39.272 38.460 0.040 0.000 1.192 1005 Y HN 0.705 nan 8.280 nan 0.000 0.487 1006 C N 1.721 121.122 119.300 0.168 0.000 2.336 1006 C HA -0.285 4.170 4.460 -0.007 0.000 0.275 1006 C C 2.732 177.812 174.990 0.150 0.000 1.175 1006 C CA 1.932 61.031 59.018 0.135 0.000 1.771 1006 C CB -1.376 26.443 27.740 0.133 0.000 2.030 1006 C HN 1.209 nan 8.230 nan 0.000 0.442 1007 G N -0.980 107.917 108.800 0.162 0.000 2.615 1007 G HA2 -0.152 3.804 3.960 -0.007 0.000 0.213 1007 G HA3 -0.152 3.804 3.960 -0.007 0.000 0.213 1007 G C 1.431 176.402 174.900 0.118 0.000 1.135 1007 G CA 0.454 45.628 45.100 0.123 0.000 0.772 1007 G HN 0.805 nan 8.290 nan 0.000 0.542 1008 Q N -0.855 119.040 119.800 0.158 0.000 2.281 1008 Q HA 0.281 4.617 4.340 -0.007 0.000 0.215 1008 Q C 0.455 176.606 176.000 0.252 0.000 0.867 1008 Q CA -0.368 55.539 55.803 0.172 0.000 0.940 1008 Q CB 0.474 29.325 28.738 0.188 0.000 1.111 1008 Q HN 0.380 nan 8.270 nan 0.000 0.513 1009 L N 2.115 123.490 121.223 0.255 0.000 2.462 1009 L HA 0.106 4.442 4.340 -0.007 0.000 0.272 1009 L C 0.153 177.105 176.870 0.135 0.000 1.166 1009 L CA 0.236 55.313 54.840 0.394 0.000 0.880 1009 L CB 0.053 42.260 42.059 0.247 0.000 1.142 1009 L HN -0.042 nan 8.230 nan 0.000 0.473 1010 R N 1.211 121.641 120.500 -0.117 0.000 2.905 1010 R HA 0.394 4.730 4.340 -0.007 0.000 0.260 1010 R C 0.722 176.907 176.300 -0.191 0.000 1.086 1010 R CA -0.854 55.125 56.100 -0.202 0.000 0.978 1010 R CB 0.645 30.776 30.300 -0.281 0.000 1.215 1010 R HN 0.443 nan 8.270 nan 0.000 0.480 1011 L N 0.814 121.965 121.223 -0.121 0.000 2.081 1011 L HA -0.231 4.105 4.340 -0.007 0.000 0.212 1011 L C 1.474 178.288 176.870 -0.093 0.000 1.080 1011 L CA 2.586 57.381 54.840 -0.075 0.000 0.754 1011 L CB -0.420 41.606 42.059 -0.055 0.000 0.893 1011 L HN 0.838 nan 8.230 nan 0.000 0.433 1012 S N -1.756 113.837 115.700 -0.177 0.000 2.465 1012 S HA -0.200 4.266 4.470 -0.007 0.000 0.241 1012 S C 1.472 176.041 174.600 -0.051 0.000 1.000 1012 S CA 0.826 58.938 58.200 -0.145 0.000 0.964 1012 S CB -0.566 62.521 63.200 -0.190 0.000 0.763 1012 S HN 0.529 nan 8.310 nan 0.000 0.512 1013 H N 0.533 119.607 119.070 0.006 0.000 2.526 1013 H HA 0.433 4.985 4.556 -0.007 0.000 0.274 1013 H C 0.202 175.529 175.328 -0.001 0.000 0.999 1013 H CA -0.624 55.427 56.048 0.005 0.000 1.157 1013 H CB -0.633 29.136 29.762 0.011 0.000 1.407 1013 H HN 0.250 nan 8.280 nan 0.000 0.568 1014 V N 0.878 120.841 119.914 0.083 0.000 2.599 1014 V HA 0.194 4.310 4.120 -0.007 0.000 0.300 1014 V C 1.530 177.645 176.094 0.035 0.000 1.034 1014 V CA 1.504 63.829 62.300 0.042 0.000 1.115 1014 V CB 0.746 32.576 31.823 0.012 0.000 0.934 1014 V HN 0.809 nan 8.190 nan 0.000 0.485 1015 G N 3.781 112.593 108.800 0.020 0.000 2.217 1015 G HA2 -0.274 3.681 3.960 -0.007 0.000 0.246 1015 G HA3 -0.274 3.681 3.960 -0.007 0.000 0.246 1015 G C 0.284 175.189 174.900 0.009 0.000 0.990 1015 G CA 0.360 45.465 45.100 0.009 0.000 0.627 1015 G HN 0.764 nan 8.290 nan 0.000 0.522 1016 Q N 1.180 120.994 119.800 0.024 0.000 2.304 1016 Q HA 0.545 4.881 4.340 -0.007 0.000 0.260 1016 Q C 0.297 176.289 176.000 -0.012 0.000 0.965 1016 Q CA 0.042 55.849 55.803 0.007 0.000 0.898 1016 Q CB 0.309 29.055 28.738 0.014 0.000 1.196 1016 Q HN 0.570 nan 8.270 nan 0.000 0.402 1017 Q N 2.851 122.636 119.800 -0.024 0.000 2.331 1017 Q HA 0.431 4.767 4.340 -0.007 0.000 0.257 1017 Q C -0.673 175.301 176.000 -0.044 0.000 0.957 1017 Q CA -0.666 55.118 55.803 -0.031 0.000 0.923 1017 Q CB 1.227 29.948 28.738 -0.029 0.000 1.212 1017 Q HN 0.554 nan 8.270 nan 0.000 0.443 1018 V N -0.490 119.395 119.914 -0.049 0.000 3.113 1018 V HA 0.760 4.876 4.120 -0.007 0.000 0.316 1018 V C -0.398 175.660 176.094 -0.060 0.000 1.125 1018 V CA -0.647 61.615 62.300 -0.063 0.000 1.026 1018 V CB 2.335 34.114 31.823 -0.073 0.000 1.080 1018 V HN 0.625 nan 8.190 nan 0.000 0.444 1019 T N 3.396 117.907 114.554 -0.071 0.000 2.840 1019 T HA 0.706 5.052 4.350 -0.007 0.000 0.287 1019 T C -0.657 173.987 174.700 -0.094 0.000 0.991 1019 T CA -0.235 61.821 62.100 -0.073 0.000 0.964 1019 T CB 0.907 69.733 68.868 -0.070 0.000 0.954 1019 T HN 0.685 nan 8.240 nan 0.000 0.438 1020 L N 2.223 123.396 121.223 -0.084 0.000 2.346 1020 L HA 0.748 5.083 4.340 -0.007 0.000 0.274 1020 L C -0.589 176.212 176.870 -0.116 0.000 1.007 1020 L CA -0.916 53.865 54.840 -0.099 0.000 0.818 1020 L CB 1.837 43.865 42.059 -0.050 0.000 1.284 1020 L HN 0.609 nan 8.230 nan 0.000 0.424 1021 C N 1.558 120.760 119.300 -0.163 0.000 2.563 1021 C HA 1.000 5.456 4.460 -0.007 0.000 0.314 1021 C C 0.611 175.446 174.990 -0.259 0.000 1.199 1021 C CA -0.367 58.523 59.018 -0.212 0.000 1.564 1021 C CB 0.915 28.520 27.740 -0.226 0.000 2.173 1021 C HN 1.080 nan 8.230 nan 0.000 0.485 1022 G N 1.173 109.726 108.800 -0.412 0.000 2.360 1022 G HA2 0.393 4.349 3.960 -0.007 0.000 0.276 1022 G HA3 0.393 4.349 3.960 -0.007 0.000 0.276 1022 G C -2.084 172.456 174.900 -0.600 0.000 1.256 1022 G CA -0.462 44.345 45.100 -0.488 0.000 0.890 1022 G HN 0.622 nan 8.290 nan 0.000 0.486 1023 W N -0.150 121.199 121.300 0.083 0.000 2.781 1023 W HA 0.572 5.226 4.660 -0.010 0.000 0.345 1023 W C -0.353 176.227 176.519 0.101 0.000 1.085 1023 W CA -0.723 56.681 57.345 0.099 0.000 1.198 1023 W CB 2.027 31.543 29.460 0.092 0.000 1.423 1023 W HN 0.310 nan 8.180 nan 0.000 0.532 1024 V N 2.696 122.798 119.914 0.314 0.000 2.415 1024 V HA -0.099 4.017 4.120 -0.007 0.000 0.267 1024 V C 1.121 177.325 176.094 0.183 0.000 1.042 1024 V CA 0.484 62.902 62.300 0.198 0.000 1.000 1024 V CB 0.318 32.215 31.823 0.123 0.000 1.015 1024 V HN 0.631 nan 8.190 nan 0.000 0.478 1025 N N 4.296 123.086 118.700 0.149 0.000 2.173 1025 N HA 0.017 4.753 4.740 -0.007 0.000 0.184 1025 N C 0.700 176.249 175.510 0.065 0.000 1.025 1025 N CA 0.583 53.699 53.050 0.108 0.000 0.852 1025 N CB 0.259 38.803 38.487 0.096 0.000 0.998 1025 N HN 0.438 nan 8.380 nan 0.000 0.427 1026 R N -0.006 120.527 120.500 0.055 0.000 2.629 1026 R HA 0.222 4.558 4.340 -0.007 0.000 0.266 1026 R C -1.592 174.720 176.300 0.021 0.000 1.051 1026 R CA -0.580 55.535 56.100 0.025 0.000 0.895 1026 R CB 1.850 32.161 30.300 0.019 0.000 1.246 1026 R HN 0.295 nan 8.270 nan 0.000 0.459 1027 R N 0.821 121.313 120.500 -0.013 0.000 2.534 1027 R HA 0.600 4.936 4.340 -0.007 0.000 0.301 1027 R C -0.739 175.557 176.300 -0.006 0.000 0.961 1027 R CA -0.757 55.329 56.100 -0.024 0.000 0.871 1027 R CB 1.743 31.980 30.300 -0.104 0.000 1.170 1027 R HN 0.357 nan 8.270 nan 0.000 0.446 1028 R N 2.096 122.621 120.500 0.041 0.000 2.407 1028 R HA 0.180 4.516 4.340 -0.007 0.000 0.298 1028 R C -1.263 175.075 176.300 0.064 0.000 1.166 1028 R CA -0.863 55.280 56.100 0.071 0.000 1.006 1028 R CB 1.377 31.755 30.300 0.131 0.000 1.145 1028 R HN 0.673 nan 8.270 nan 0.000 0.538 1029 D N 3.695 124.089 120.400 -0.010 0.000 2.428 1029 D HA 0.116 4.752 4.640 -0.007 0.000 0.221 1029 D C -0.088 176.193 176.300 -0.031 0.000 1.123 1029 D CA -0.527 53.439 54.000 -0.057 0.000 0.869 1029 D CB 1.027 41.770 40.800 -0.095 0.000 1.032 1029 D HN 0.237 nan 8.370 nan 0.000 0.506 1030 L N 3.762 124.968 121.223 -0.028 0.000 2.851 1030 L HA 0.377 4.713 4.340 -0.007 0.000 0.237 1030 L C 1.915 178.763 176.870 -0.036 0.000 1.257 1030 L CA 0.220 55.057 54.840 -0.004 0.000 1.061 1030 L CB -0.121 41.968 42.059 0.050 0.000 1.372 1030 L HN 0.748 nan 8.230 nan 0.000 0.493 1031 G N -0.488 108.278 108.800 -0.057 0.000 5.218 1031 G HA2 -0.445 3.511 3.960 -0.007 0.000 0.342 1031 G HA3 -0.445 3.511 3.960 -0.007 0.000 0.342 1031 G C 1.563 176.423 174.900 -0.066 0.000 1.391 1031 G CA 0.892 45.959 45.100 -0.055 0.000 1.096 1031 G HN 0.338 nan 8.290 nan 0.000 0.831 1032 S N 0.356 116.025 115.700 -0.051 0.000 2.383 1032 S HA 0.210 4.676 4.470 -0.007 0.000 0.227 1032 S C 0.626 175.172 174.600 -0.089 0.000 1.026 1032 S CA 1.763 59.936 58.200 -0.045 0.000 0.981 1032 S CB -0.278 62.915 63.200 -0.012 0.000 0.818 1032 S HN 1.365 nan 8.310 nan 0.000 0.472 1033 L N -0.747 120.372 121.223 -0.172 0.000 2.438 1033 L HA 0.681 5.017 4.340 -0.007 0.000 0.270 1033 L C -0.992 175.533 176.870 -0.575 0.000 0.972 1033 L CA -0.784 53.819 54.840 -0.394 0.000 0.831 1033 L CB 0.858 42.645 42.059 -0.453 0.000 1.273 1033 L HN -0.105 nan 8.230 nan 0.000 0.405 1034 I N 2.688 122.912 120.570 -0.578 0.000 2.460 1034 I HA 0.506 4.672 4.170 -0.007 0.000 0.298 1034 I C -0.960 174.815 176.117 -0.570 0.000 0.989 1034 I CA -0.320 60.706 61.300 -0.457 0.000 1.173 1034 I CB 1.612 39.433 38.000 -0.299 0.000 1.338 1034 I HN 0.435 nan 8.210 nan 0.000 0.456 1035 F N 6.052 125.933 119.950 -0.116 0.000 2.411 1035 F HA 0.467 4.989 4.527 -0.007 0.000 0.352 1035 F C -0.054 175.765 175.800 0.031 0.000 1.123 1035 F CA -0.622 57.354 58.000 -0.041 0.000 1.044 1035 F CB 1.124 40.101 39.000 -0.038 0.000 1.135 1035 F HN 0.099 nan 8.300 nan 0.000 0.461 1036 I N 3.365 124.103 120.570 0.280 0.000 2.382 1036 I HA 0.199 4.365 4.170 -0.007 0.000 0.286 1036 I C -0.567 175.666 176.117 0.195 0.000 1.002 1036 I CA -0.790 60.634 61.300 0.207 0.000 1.135 1036 I CB 1.409 39.562 38.000 0.255 0.000 1.288 1036 I HN 0.429 nan 8.210 nan 0.000 0.448 1037 D N 7.186 127.672 120.400 0.144 0.000 2.422 1037 D HA 0.242 4.878 4.640 -0.007 0.000 0.227 1037 D C 0.175 176.552 176.300 0.129 0.000 1.190 1037 D CA 0.050 54.124 54.000 0.124 0.000 0.905 1037 D CB 0.864 41.718 40.800 0.090 0.000 1.034 1037 D HN 0.402 nan 8.370 nan 0.000 0.507 1038 M N 2.665 122.346 119.600 0.136 0.000 2.216 1038 M HA 0.265 4.740 4.480 -0.007 0.000 0.356 1038 M C -0.247 176.145 176.300 0.153 0.000 1.205 1038 M CA -0.372 55.013 55.300 0.142 0.000 1.122 1038 M CB 1.104 33.776 32.600 0.120 0.000 1.571 1038 M HN 0.118 nan 8.290 nan 0.000 0.464 1039 R N 3.398 124.020 120.500 0.203 0.000 2.621 1039 R HA 0.497 4.833 4.340 -0.007 0.000 0.292 1039 R C -1.907 174.605 176.300 0.354 0.000 0.969 1039 R CA -0.515 55.727 56.100 0.237 0.000 0.887 1039 R CB 1.385 31.815 30.300 0.217 0.000 1.180 1039 R HN 0.918 nan 8.270 nan 0.000 0.450 1040 D N 1.876 122.466 120.400 0.317 0.000 2.752 1040 D HA 0.113 4.749 4.640 -0.007 0.000 0.313 1040 D C 0.571 177.051 176.300 0.300 0.000 1.225 1040 D CA -0.828 53.422 54.000 0.416 0.000 0.976 1040 D CB 0.538 41.556 40.800 0.362 0.000 1.443 1040 D HN 0.596 nan 8.370 nan 0.000 0.515 1041 R N -0.423 120.258 120.500 0.303 0.000 2.159 1041 R HA -0.084 4.252 4.340 -0.007 0.000 0.237 1041 R C 0.667 177.005 176.300 0.064 0.000 1.131 1041 R CA 1.115 57.299 56.100 0.141 0.000 0.982 1041 R CB -0.395 29.962 30.300 0.096 0.000 0.868 1041 R HN 0.291 nan 8.270 nan 0.000 0.453 1042 E N 0.808 121.062 120.200 0.090 0.000 2.358 1042 E HA 0.134 4.479 4.350 -0.007 0.000 0.195 1042 E C 0.905 177.548 176.600 0.073 0.000 1.010 1042 E CA 1.001 57.419 56.400 0.030 0.000 0.856 1042 E CB 0.705 30.428 29.700 0.038 0.000 0.795 1042 E HN 0.601 nan 8.360 nan 0.000 0.504 1043 G N -0.006 108.863 108.800 0.115 0.000 2.320 1043 G HA2 0.084 4.040 3.960 -0.007 0.000 0.274 1043 G HA3 0.084 4.040 3.960 -0.007 0.000 0.274 1043 G C -1.327 173.644 174.900 0.119 0.000 1.324 1043 G CA -0.801 44.357 45.100 0.097 0.000 0.957 1043 G HN 0.010 nan 8.290 nan 0.000 0.481 1044 I N 0.098 120.725 120.570 0.096 0.000 2.441 1044 I HA 0.684 4.850 4.170 -0.007 0.000 0.295 1044 I C -0.042 176.132 176.117 0.095 0.000 0.994 1044 I CA -1.160 60.201 61.300 0.101 0.000 1.144 1044 I CB 1.778 39.828 38.000 0.084 0.000 1.314 1044 I HN 0.477 nan 8.210 nan 0.000 0.445 1045 V N 5.619 125.595 119.914 0.104 0.000 2.914 1045 V HA 0.391 4.507 4.120 -0.007 0.000 0.314 1045 V C -0.839 175.322 176.094 0.112 0.000 1.084 1045 V CA -0.430 61.930 62.300 0.100 0.000 0.963 1045 V CB 2.286 34.168 31.823 0.098 0.000 1.025 1045 V HN 0.846 nan 8.190 nan 0.000 0.432 1046 Q N 2.915 122.788 119.800 0.121 0.000 2.278 1046 Q HA 0.609 4.945 4.340 -0.007 0.000 0.257 1046 Q C -1.522 174.583 176.000 0.175 0.000 0.928 1046 Q CA -0.442 55.460 55.803 0.166 0.000 0.932 1046 Q CB 1.730 30.582 28.738 0.190 0.000 1.221 1046 Q HN 0.662 nan 8.270 nan 0.000 0.434 1047 V N 5.142 125.166 119.914 0.182 0.000 2.427 1047 V HA 0.372 4.487 4.120 -0.007 0.000 0.286 1047 V C -0.641 175.518 176.094 0.109 0.000 1.034 1047 V CA -0.602 61.755 62.300 0.095 0.000 0.893 1047 V CB 1.069 32.941 31.823 0.082 0.000 0.982 1047 V HN 0.692 nan 8.190 nan 0.000 0.452 1048 F N 5.346 125.191 119.950 -0.175 0.000 2.427 1048 F HA 0.690 5.213 4.527 -0.007 0.000 0.346 1048 F C -0.795 174.760 175.800 -0.408 0.000 1.120 1048 F CA -1.014 56.876 58.000 -0.184 0.000 1.033 1048 F CB 1.074 40.016 39.000 -0.096 0.000 1.126 1048 F HN 0.345 nan 8.300 nan 0.000 0.462 1049 F N 5.066 124.721 119.950 -0.492 0.000 2.445 1049 F HA 0.310 4.832 4.527 -0.007 0.000 0.348 1049 F C -0.431 175.155 175.800 -0.356 0.000 1.125 1049 F CA -0.813 57.027 58.000 -0.267 0.000 0.983 1049 F CB 1.012 39.862 39.000 -0.250 0.000 1.198 1049 F HN 0.480 nan 8.300 nan 0.000 0.436 1050 D N 2.733 123.201 120.400 0.113 0.000 2.621 1050 D HA 0.484 5.120 4.640 -0.007 0.000 0.255 1050 D C -2.416 173.933 176.300 0.082 0.000 1.122 1050 D CA -2.295 51.773 54.000 0.114 0.000 1.096 1050 D CB 0.718 41.733 40.800 0.359 0.000 1.282 1050 D HN 0.067 nan 8.370 nan 0.000 0.619 1051 P HA -0.055 nan 4.420 nan 0.000 0.221 1051 P C 0.137 177.462 177.300 0.042 0.000 1.145 1051 P CA 1.050 64.173 63.100 0.039 0.000 0.795 1051 P CB 0.080 31.798 31.700 0.029 0.000 0.775 1052 D N -0.806 119.624 120.400 0.051 0.000 2.158 1052 D HA -0.131 4.504 4.640 -0.007 0.000 0.197 1052 D C 0.645 176.966 176.300 0.035 0.000 0.995 1052 D CA 1.141 55.162 54.000 0.036 0.000 0.846 1052 D CB -0.205 40.613 40.800 0.031 0.000 0.941 1052 D HN 0.073 nan 8.370 nan 0.000 0.456 1053 R N 0.690 121.220 120.500 0.051 0.000 2.666 1053 R HA 0.494 4.830 4.340 -0.007 0.000 0.275 1053 R C 0.618 176.955 176.300 0.062 0.000 1.266 1053 R CA -0.313 55.819 56.100 0.053 0.000 1.401 1053 R CB 0.498 30.836 30.300 0.064 0.000 1.145 1053 R HN 0.009 nan 8.270 nan 0.000 0.581 1054 A N 2.395 125.238 122.820 0.039 0.000 1.869 1054 A HA -0.242 4.074 4.320 -0.007 0.000 0.218 1054 A C 1.485 179.085 177.584 0.026 0.000 1.203 1054 A CA 1.718 53.771 52.037 0.028 0.000 0.638 1054 A CB -0.156 18.854 19.000 0.016 0.000 0.831 1054 A HN 0.479 nan 8.150 nan 0.000 0.450 1055 D N -0.194 120.222 120.400 0.027 0.000 2.123 1055 D HA -0.097 4.539 4.640 -0.007 0.000 0.196 1055 D C 2.261 178.582 176.300 0.035 0.000 0.992 1055 D CA 1.543 55.556 54.000 0.022 0.000 0.833 1055 D CB -0.455 40.358 40.800 0.022 0.000 0.954 1055 D HN 0.461 nan 8.370 nan 0.000 0.455 1056 A N 1.493 124.363 122.820 0.083 0.000 1.883 1056 A HA -0.156 4.160 4.320 -0.007 0.000 0.217 1056 A C 2.158 179.804 177.584 0.103 0.000 1.186 1056 A CA 0.867 53.004 52.037 0.167 0.000 0.624 1056 A CB -0.682 18.485 19.000 0.279 0.000 0.822 1056 A HN 0.207 nan 8.150 nan 0.000 0.444 1057 L N 0.045 121.325 121.223 0.094 0.000 2.017 1057 L HA -0.153 4.182 4.340 -0.007 0.000 0.208 1057 L C 2.267 179.066 176.870 -0.117 0.000 1.073 1057 L CA 2.597 57.424 54.840 -0.021 0.000 0.745 1057 L CB -0.977 41.089 42.059 0.012 0.000 0.894 1057 L HN 0.546 nan 8.230 nan 0.000 0.432 1058 K N -0.716 119.645 120.400 -0.064 0.000 2.097 1058 K HA -0.221 4.095 4.320 -0.007 0.000 0.206 1058 K C 2.141 178.686 176.600 -0.093 0.000 1.049 1058 K CA 1.382 57.628 56.287 -0.069 0.000 0.933 1058 K CB -0.000 32.479 32.500 -0.035 0.000 0.717 1058 K HN 0.242 nan 8.250 nan 0.000 0.442 1059 L N 0.754 121.919 121.223 -0.096 0.000 2.068 1059 L HA 0.073 4.409 4.340 -0.007 0.000 0.204 1059 L C 2.150 178.902 176.870 -0.197 0.000 1.076 1059 L CA 1.826 56.606 54.840 -0.100 0.000 0.753 1059 L CB -0.741 41.288 42.059 -0.050 0.000 0.910 1059 L HN 0.148 nan 8.230 nan 0.000 0.439 1060 A N -0.759 121.837 122.820 -0.374 0.000 2.084 1060 A HA -0.233 4.082 4.320 -0.007 0.000 0.221 1060 A C 2.388 179.712 177.584 -0.434 0.000 1.161 1060 A CA 1.936 53.590 52.037 -0.639 0.000 0.653 1060 A CB -1.025 17.075 19.000 -1.501 0.000 0.802 1060 A HN 0.692 nan 8.150 nan 0.000 0.457 1061 S N -0.467 115.054 115.700 -0.300 0.000 2.436 1061 S HA -0.082 4.384 4.470 -0.007 0.000 0.228 1061 S C 1.439 175.923 174.600 -0.195 0.000 1.014 1061 S CA 0.977 59.043 58.200 -0.223 0.000 0.950 1061 S CB -0.333 62.772 63.200 -0.159 0.000 0.784 1061 S HN 0.688 nan 8.310 nan 0.000 0.504 1062 E N 0.937 121.037 120.200 -0.166 0.000 2.418 1062 E HA 0.123 4.469 4.350 -0.007 0.000 0.197 1062 E C -0.038 176.418 176.600 -0.241 0.000 1.026 1062 E CA 0.055 56.384 56.400 -0.117 0.000 0.862 1062 E CB -0.235 29.452 29.700 -0.022 0.000 0.799 1062 E HN 0.573 nan 8.360 nan 0.000 0.518 1063 L N 1.872 122.883 121.223 -0.354 0.000 2.456 1063 L HA 0.128 4.464 4.340 -0.007 0.000 0.272 1063 L C 0.764 177.144 176.870 -0.816 0.000 1.189 1063 L CA 0.168 54.615 54.840 -0.654 0.000 0.846 1063 L CB 0.220 42.047 42.059 -0.388 0.000 1.111 1063 L HN -0.006 nan 8.230 nan 0.000 0.475 1064 R N 1.508 121.153 120.500 -1.425 0.000 2.885 1064 R HA 0.366 4.702 4.340 -0.007 0.000 0.260 1064 R C -0.790 175.263 176.300 -0.413 0.000 1.107 1064 R CA -1.202 54.438 56.100 -0.766 0.000 0.978 1064 R CB 0.784 30.738 30.300 -0.576 0.000 1.227 1064 R HN 0.568 nan 8.270 nan 0.000 0.473 1065 N N 2.038 120.678 118.700 -0.101 0.000 2.441 1065 N HA -0.051 4.685 4.740 -0.007 0.000 0.251 1065 N C -0.362 175.291 175.510 0.239 0.000 1.242 1065 N CA 0.217 53.300 53.050 0.055 0.000 0.898 1065 N CB 0.359 38.867 38.487 0.035 0.000 1.100 1065 N HN 0.331 nan 8.380 nan 0.000 0.443 1066 E N -0.036 120.318 120.200 0.257 0.000 2.722 1066 E HA -0.249 4.097 4.350 -0.007 0.000 0.265 1066 E C -0.974 175.932 176.600 0.509 0.000 1.081 1066 E CA 0.938 57.542 56.400 0.339 0.000 0.781 1066 E CB -1.622 28.199 29.700 0.203 0.000 1.372 1066 E HN 0.464 nan 8.360 nan 0.000 0.423 1067 F N -0.330 119.732 119.950 0.186 0.000 2.384 1067 F HA 0.180 4.703 4.527 -0.006 0.000 0.338 1067 F C 1.385 177.252 175.800 0.112 0.000 1.103 1067 F CA -0.718 57.360 58.000 0.130 0.000 1.157 1067 F CB 0.893 39.923 39.000 0.050 0.000 1.167 1067 F HN 0.058 nan 8.300 nan 0.000 0.529 1068 C N 7.960 127.309 119.300 0.081 0.000 2.325 1068 C HA 0.722 5.178 4.460 -0.007 0.000 0.347 1068 C C -0.044 174.838 174.990 -0.180 0.000 1.263 1068 C CA -0.573 58.284 59.018 -0.269 0.000 1.806 1068 C CB -1.815 25.741 27.740 -0.306 0.000 2.405 1068 C HN 0.715 nan 8.230 nan 0.000 0.537 1069 I N 3.348 123.789 120.570 -0.215 0.000 3.174 1069 I HA 0.629 4.795 4.170 -0.007 0.000 0.313 1069 I C -1.257 174.779 176.117 -0.136 0.000 1.155 1069 I CA -0.772 60.466 61.300 -0.103 0.000 0.977 1069 I CB 2.026 40.033 38.000 0.013 0.000 1.248 1069 I HN 0.648 nan 8.210 nan 0.000 0.453 1070 Q N 2.444 122.201 119.800 -0.072 0.000 2.321 1070 Q HA 0.679 5.015 4.340 -0.007 0.000 0.270 1070 Q C -2.200 173.790 176.000 -0.017 0.000 1.032 1070 Q CA -0.665 55.096 55.803 -0.070 0.000 0.784 1070 Q CB 2.530 31.222 28.738 -0.077 0.000 1.264 1070 Q HN 0.695 nan 8.270 nan 0.000 0.448 1071 V N 3.342 123.246 119.914 -0.018 0.000 2.531 1071 V HA 0.483 4.599 4.120 -0.007 0.000 0.301 1071 V C -0.463 175.614 176.094 -0.028 0.000 1.034 1071 V CA -0.546 61.756 62.300 0.003 0.000 0.865 1071 V CB 2.039 33.876 31.823 0.024 0.000 0.995 1071 V HN 0.858 nan 8.190 nan 0.000 0.424 1072 T N 3.747 118.284 114.554 -0.029 0.000 2.824 1072 T HA 0.834 5.180 4.350 -0.007 0.000 0.280 1072 T C 0.375 175.043 174.700 -0.053 0.000 0.995 1072 T CA 0.128 62.204 62.100 -0.040 0.000 1.009 1072 T CB 1.681 70.530 68.868 -0.032 0.000 0.955 1072 T HN 1.105 nan 8.240 nan 0.000 0.452 1073 G N 0.784 109.550 108.800 -0.057 0.000 2.578 1073 G HA2 0.626 4.582 3.960 -0.007 0.000 0.302 1073 G HA3 0.626 4.582 3.960 -0.007 0.000 0.302 1073 G C -1.195 173.674 174.900 -0.052 0.000 1.243 1073 G CA -0.331 44.728 45.100 -0.069 0.000 0.843 1073 G HN 0.798 nan 8.290 nan 0.000 0.486 1074 T N -1.101 113.423 114.554 -0.050 0.000 3.032 1074 T HA 0.498 4.844 4.350 -0.007 0.000 0.312 1074 T C -0.719 173.968 174.700 -0.023 0.000 1.078 1074 T CA -0.346 61.734 62.100 -0.034 0.000 1.028 1074 T CB 1.400 70.249 68.868 -0.033 0.000 1.091 1074 T HN 0.871 nan 8.240 nan 0.000 0.457 1075 V N 6.646 126.559 119.914 -0.002 0.000 2.485 1075 V HA 0.399 4.515 4.120 -0.007 0.000 0.287 1075 V C 0.808 176.907 176.094 0.008 0.000 1.022 1075 V CA 0.112 62.425 62.300 0.021 0.000 1.067 1075 V CB -0.401 31.463 31.823 0.069 0.000 0.967 1075 V HN 0.923 nan 8.190 nan 0.000 0.479 1076 R N 4.355 124.853 120.500 -0.004 0.000 2.808 1076 R HA 0.866 5.202 4.340 -0.007 0.000 0.272 1076 R C -0.521 175.769 176.300 -0.017 0.000 0.995 1076 R CA -0.776 55.311 56.100 -0.023 0.000 0.917 1076 R CB 1.853 32.118 30.300 -0.058 0.000 1.217 1076 R HN 0.587 nan 8.270 nan 0.000 0.471 1077 A N 2.198 125.005 122.820 -0.021 0.000 2.407 1077 A HA 0.319 4.635 4.320 -0.007 0.000 0.248 1077 A C -0.207 177.365 177.584 -0.021 0.000 1.082 1077 A CA -0.485 51.542 52.037 -0.016 0.000 0.785 1077 A CB 0.322 19.312 19.000 -0.017 0.000 1.020 1077 A HN 0.691 nan 8.150 nan 0.000 0.489 1078 R N 0.978 121.475 120.500 -0.005 0.000 2.297 1078 R HA 0.194 4.530 4.340 -0.007 0.000 0.308 1078 R C -0.867 175.430 176.300 -0.005 0.000 1.029 1078 R CA -0.548 55.553 56.100 0.002 0.000 0.929 1078 R CB 0.906 31.218 30.300 0.020 0.000 1.046 1078 R HN 0.874 nan 8.270 nan 0.000 0.461 1079 D N 1.637 122.034 120.400 -0.006 0.000 2.414 1079 D HA -0.074 4.561 4.640 -0.007 0.000 0.242 1079 D C 1.197 177.497 176.300 -0.001 0.000 1.129 1079 D CA 0.204 54.201 54.000 -0.006 0.000 0.885 1079 D CB 0.895 41.693 40.800 -0.004 0.000 1.198 1079 D HN 0.376 nan 8.370 nan 0.000 0.437 1080 E N 2.867 123.065 120.200 -0.003 0.000 2.149 1080 E HA -0.355 3.991 4.350 -0.007 0.000 0.215 1080 E C 1.559 178.158 176.600 -0.001 0.000 1.055 1080 E CA 1.532 57.931 56.400 -0.003 0.000 0.870 1080 E CB -0.149 29.549 29.700 -0.003 0.000 0.764 1080 E HN 0.664 nan 8.360 nan 0.000 0.463 1081 K N 0.065 120.466 120.400 0.002 0.000 2.218 1081 K HA -0.167 4.149 4.320 -0.007 0.000 0.205 1081 K C 1.214 177.816 176.600 0.003 0.000 1.046 1081 K CA 1.576 57.865 56.287 0.004 0.000 0.933 1081 K CB 0.029 32.535 32.500 0.010 0.000 0.728 1081 K HN 0.049 nan 8.250 nan 0.000 0.454 1082 N N 0.309 119.013 118.700 0.006 0.000 2.205 1082 N HA 0.115 4.851 4.740 -0.007 0.000 0.201 1082 N C 0.125 175.633 175.510 -0.003 0.000 1.128 1082 N CA -0.016 53.036 53.050 0.003 0.000 0.867 1082 N CB 0.464 38.969 38.487 0.031 0.000 0.996 1082 N HN 0.143 nan 8.380 nan 0.000 0.503 1083 I N 1.806 122.375 120.570 -0.002 0.000 2.815 1083 I HA -0.105 4.060 4.170 -0.007 0.000 0.291 1083 I C 0.742 176.853 176.117 -0.010 0.000 1.209 1083 I CA 0.404 61.702 61.300 -0.003 0.000 1.431 1083 I CB 0.286 38.284 38.000 -0.004 0.000 1.351 1083 I HN -0.053 nan 8.210 nan 0.000 0.585 1084 N N 6.609 125.305 118.700 -0.008 0.000 2.706 1084 N HA 0.174 4.909 4.740 -0.007 0.000 0.240 1084 N C 0.662 176.168 175.510 -0.007 0.000 1.039 1084 N CA -0.431 52.611 53.050 -0.013 0.000 0.888 1084 N CB 0.639 39.117 38.487 -0.015 0.000 1.128 1084 N HN 0.453 nan 8.380 nan 0.000 0.512 1085 R N 0.773 121.268 120.500 -0.008 0.000 2.397 1085 R HA -0.063 4.273 4.340 -0.007 0.000 0.213 1085 R C -0.467 175.830 176.300 -0.006 0.000 1.102 1085 R CA 0.713 56.809 56.100 -0.007 0.000 1.040 1085 R CB 0.224 30.520 30.300 -0.008 0.000 0.844 1085 R HN 0.424 nan 8.270 nan 0.000 0.478 1086 D N 0.005 120.401 120.400 -0.006 0.000 2.427 1086 D HA 0.203 4.839 4.640 -0.007 0.000 0.224 1086 D C 0.048 176.347 176.300 -0.000 0.000 1.157 1086 D CA 0.376 54.373 54.000 -0.005 0.000 0.828 1086 D CB 0.375 41.171 40.800 -0.007 0.000 0.974 1086 D HN 0.095 nan 8.370 nan 0.000 0.498 1087 M N -0.603 118.999 119.600 0.003 0.000 2.446 1087 M HA 0.448 4.924 4.480 -0.007 0.000 0.294 1087 M C 0.761 177.068 176.300 0.013 0.000 1.158 1087 M CA -0.788 54.519 55.300 0.011 0.000 0.899 1087 M CB 2.639 35.249 32.600 0.017 0.000 1.687 1087 M HN -0.194 nan 8.290 nan 0.000 0.455 1088 A N 0.526 123.356 122.820 0.017 0.000 1.972 1088 A HA -0.064 4.252 4.320 -0.007 0.000 0.219 1088 A C 1.456 179.052 177.584 0.020 0.000 1.169 1088 A CA 2.068 54.114 52.037 0.016 0.000 0.635 1088 A CB -0.751 18.262 19.000 0.021 0.000 0.810 1088 A HN 0.869 nan 8.150 nan 0.000 0.446 1089 T N -3.476 111.098 114.554 0.033 0.000 3.264 1089 T HA 0.414 4.759 4.350 -0.007 0.000 0.257 1089 T C 1.278 175.999 174.700 0.035 0.000 0.976 1089 T CA 0.472 62.598 62.100 0.042 0.000 0.908 1089 T CB 0.383 69.291 68.868 0.066 0.000 1.082 1089 T HN 0.267 nan 8.240 nan 0.000 0.567 1090 G N 2.129 110.941 108.800 0.021 0.000 2.408 1090 G HA2 -0.106 3.850 3.960 -0.007 0.000 0.217 1090 G HA3 -0.106 3.850 3.960 -0.007 0.000 0.217 1090 G C 1.209 176.117 174.900 0.013 0.000 1.150 1090 G CA 0.159 45.268 45.100 0.015 0.000 0.776 1090 G HN 0.651 nan 8.290 nan 0.000 0.542 1091 E N -0.478 119.727 120.200 0.008 0.000 2.494 1091 E HA 0.199 4.545 4.350 -0.007 0.000 0.193 1091 E C -0.080 176.526 176.600 0.010 0.000 1.074 1091 E CA -0.086 56.316 56.400 0.004 0.000 0.867 1091 E CB 0.439 30.135 29.700 -0.007 0.000 0.924 1091 E HN 0.237 nan 8.360 nan 0.000 0.502 1092 I N 1.045 121.630 120.570 0.025 0.000 3.095 1092 I HA 0.298 4.464 4.170 -0.007 0.000 0.310 1092 I C -0.565 175.589 176.117 0.060 0.000 1.196 1092 I CA -1.006 60.316 61.300 0.036 0.000 0.985 1092 I CB 2.311 40.335 38.000 0.040 0.000 1.250 1092 I HN 0.005 nan 8.210 nan 0.000 0.446 1093 E N 1.558 121.796 120.200 0.063 0.000 2.423 1093 E HA 0.585 4.931 4.350 -0.007 0.000 0.280 1093 E C -1.591 175.044 176.600 0.058 0.000 1.030 1093 E CA -0.890 55.566 56.400 0.093 0.000 0.812 1093 E CB 2.510 32.301 29.700 0.153 0.000 1.313 1093 E HN 0.266 nan 8.360 nan 0.000 0.456 1094 V N 0.113 120.060 119.914 0.055 0.000 2.448 1094 V HA 0.512 4.628 4.120 -0.007 0.000 0.295 1094 V C -0.452 175.628 176.094 -0.024 0.000 1.025 1094 V CA -0.943 61.360 62.300 0.006 0.000 0.859 1094 V CB 1.403 33.221 31.823 -0.007 0.000 0.988 1094 V HN 0.789 nan 8.190 nan 0.000 0.431 1095 L N 6.155 127.347 121.223 -0.052 0.000 2.369 1095 L HA 0.639 4.975 4.340 -0.007 0.000 0.279 1095 L C 0.843 177.629 176.870 -0.140 0.000 1.108 1095 L CA 0.032 54.828 54.840 -0.074 0.000 0.852 1095 L CB 0.828 42.835 42.059 -0.086 0.000 1.169 1095 L HN 1.058 nan 8.230 nan 0.000 0.452 1096 A N 3.571 126.217 122.820 -0.289 0.000 2.425 1096 A HA 0.344 4.660 4.320 -0.007 0.000 0.249 1096 A C 0.878 178.346 177.584 -0.194 0.000 1.084 1096 A CA 0.281 52.096 52.037 -0.371 0.000 0.781 1096 A CB 0.573 18.996 19.000 -0.961 0.000 1.019 1096 A HN 0.930 nan 8.150 nan 0.000 0.490 1097 S N 0.272 115.907 115.700 -0.108 0.000 2.619 1097 S HA 0.326 4.792 4.470 -0.007 0.000 0.238 1097 S C 0.425 175.020 174.600 -0.007 0.000 1.068 1097 S CA 0.455 58.628 58.200 -0.045 0.000 0.926 1097 S CB 0.211 63.389 63.200 -0.037 0.000 0.864 1097 S HN 0.629 nan 8.310 nan 0.000 0.493 1098 S N 1.207 116.905 115.700 -0.003 0.000 2.540 1098 S HA 0.768 5.234 4.470 -0.007 0.000 0.275 1098 S C -1.750 172.897 174.600 0.077 0.000 1.123 1098 S CA -0.632 57.589 58.200 0.035 0.000 0.907 1098 S CB 2.098 65.304 63.200 0.011 0.000 1.081 1098 S HN 0.447 nan 8.310 nan 0.000 0.476 1099 L N 2.460 123.755 121.223 0.120 0.000 2.410 1099 L HA 0.793 5.129 4.340 -0.007 0.000 0.270 1099 L C -1.160 175.756 176.870 0.077 0.000 0.983 1099 L CA 0.258 55.190 54.840 0.154 0.000 0.822 1099 L CB 2.061 44.274 42.059 0.257 0.000 1.285 1099 L HN 0.666 nan 8.230 nan 0.000 0.409 1100 T N 6.203 120.788 114.554 0.051 0.000 2.881 1100 T HA 0.524 4.870 4.350 -0.007 0.000 0.291 1100 T C -0.195 174.514 174.700 0.015 0.000 0.990 1100 T CA -0.139 61.973 62.100 0.021 0.000 0.976 1100 T CB 0.931 69.798 68.868 -0.003 0.000 0.970 1100 T HN 0.451 nan 8.240 nan 0.000 0.438 1101 I N 4.532 125.116 120.570 0.024 0.000 2.294 1101 I HA 0.203 4.369 4.170 -0.007 0.000 0.295 1101 I C 1.361 177.464 176.117 -0.023 0.000 1.098 1101 I CA -0.192 61.127 61.300 0.032 0.000 1.277 1101 I CB 0.414 38.461 38.000 0.078 0.000 1.434 1101 I HN 0.711 nan 8.210 nan 0.000 0.498 1102 I N 4.906 125.444 120.570 -0.055 0.000 2.202 1102 I HA -0.110 4.056 4.170 -0.007 0.000 0.242 1102 I C 0.596 176.661 176.117 -0.088 0.000 1.091 1102 I CA 1.168 62.422 61.300 -0.077 0.000 1.368 1102 I CB -0.111 37.823 38.000 -0.110 0.000 1.058 1102 I HN 0.619 nan 8.210 nan 0.000 0.410 1103 N N 0.316 118.942 118.700 -0.122 0.000 2.431 1103 N HA 0.320 5.056 4.740 -0.007 0.000 0.275 1103 N C -1.042 174.249 175.510 -0.365 0.000 1.091 1103 N CA -0.571 52.377 53.050 -0.170 0.000 0.922 1103 N CB 2.118 40.546 38.487 -0.099 0.000 1.666 1103 N HN -0.003 nan 8.380 nan 0.000 0.484 1104 R N 0.642 120.826 120.500 -0.527 0.000 2.560 1104 R HA 0.728 5.064 4.340 -0.007 0.000 0.270 1104 R C -0.006 175.825 176.300 -0.781 0.000 1.074 1104 R CA -0.510 54.868 56.100 -1.203 0.000 1.140 1104 R CB 0.755 30.587 30.300 -0.780 0.000 1.073 1104 R HN 0.534 nan 8.270 nan 0.000 0.527 1105 A N 1.652 123.955 122.820 -0.861 0.000 2.337 1105 A HA 0.376 4.692 4.320 -0.007 0.000 0.329 1105 A C -0.880 176.715 177.584 0.019 0.000 1.146 1105 A CA -0.840 51.106 52.037 -0.151 0.000 0.800 1105 A CB 1.094 20.160 19.000 0.110 0.000 1.220 1105 A HN 0.620 nan 8.150 nan 0.000 0.472 1106 D N -0.020 120.399 120.400 0.030 0.000 2.398 1106 D HA 0.349 4.985 4.640 -0.007 0.000 0.264 1106 D C 0.252 176.592 176.300 0.066 0.000 1.263 1106 D CA -0.144 53.886 54.000 0.051 0.000 1.037 1106 D CB 0.418 41.235 40.800 0.027 0.000 1.101 1106 D HN 0.227 nan 8.370 nan 0.000 0.551 1107 V N 1.425 121.364 119.914 0.040 0.000 2.485 1107 V HA 0.009 4.125 4.120 -0.007 0.000 0.287 1107 V C 0.434 176.514 176.094 -0.024 0.000 1.022 1107 V CA -0.124 62.187 62.300 0.019 0.000 1.067 1107 V CB -0.326 31.503 31.823 0.010 0.000 0.967 1107 V HN 0.223 nan 8.190 nan 0.000 0.479 1108 L N 7.517 128.720 121.223 -0.034 0.000 2.453 1108 L HA 0.146 4.482 4.340 -0.007 0.000 0.272 1108 L C -1.119 175.648 176.870 -0.172 0.000 1.182 1108 L CA -1.104 53.677 54.840 -0.099 0.000 0.858 1108 L CB 0.264 42.278 42.059 -0.076 0.000 1.120 1108 L HN 0.501 nan 8.230 nan 0.000 0.474 1109 P HA 0.059 nan 4.420 nan 0.000 0.233 1109 P C -0.230 176.896 177.300 -0.292 0.000 1.167 1109 P CA 0.942 63.756 63.100 -0.476 0.000 0.770 1109 P CB 0.323 31.227 31.700 -1.327 0.000 0.837 1110 L N -1.663 119.426 121.223 -0.223 0.000 2.309 1110 L HA 0.497 4.833 4.340 -0.007 0.000 0.261 1110 L C -0.336 176.449 176.870 -0.142 0.000 1.021 1110 L CA -0.978 53.781 54.840 -0.135 0.000 0.823 1110 L CB 1.989 43.975 42.059 -0.121 0.000 1.366 1110 L HN -0.272 nan 8.230 nan 0.000 0.423 1111 D N -0.253 120.034 120.400 -0.188 0.000 2.471 1111 D HA 0.211 4.847 4.640 -0.007 0.000 0.245 1111 D C 0.441 176.540 176.300 -0.335 0.000 1.116 1111 D CA -0.264 53.534 54.000 -0.338 0.000 0.853 1111 D CB 1.986 42.351 40.800 -0.725 0.000 1.123 1111 D HN 0.444 nan 8.370 nan 0.000 0.540 1112 S N 2.892 118.465 115.700 -0.210 0.000 2.440 1112 S HA -0.178 4.288 4.470 -0.007 0.000 0.240 1112 S C 1.383 175.891 174.600 -0.153 0.000 1.014 1112 S CA 1.157 59.270 58.200 -0.144 0.000 0.980 1112 S CB -0.077 63.070 63.200 -0.089 0.000 0.775 1112 S HN 0.596 nan 8.310 nan 0.000 0.499 1113 N N 0.197 118.756 118.700 -0.236 0.000 2.395 1113 N HA 0.033 4.769 4.740 -0.007 0.000 0.175 1113 N C 0.057 175.513 175.510 -0.090 0.000 1.029 1113 N CA 0.586 53.545 53.050 -0.152 0.000 0.897 1113 N CB 0.251 38.682 38.487 -0.093 0.000 0.991 1113 N HN 0.653 nan 8.380 nan 0.000 0.441 1114 H N -2.838 116.223 119.070 -0.014 0.000 2.930 1114 H HA 0.420 4.972 4.556 -0.007 0.000 0.371 1114 H C -0.760 174.559 175.328 -0.014 0.000 1.169 1114 H CA -1.184 54.856 56.048 -0.013 0.000 1.157 1114 H CB 0.425 30.180 29.762 -0.011 0.000 1.789 1114 H HN -0.344 nan 8.280 nan 0.000 0.547 1115 V N 3.184 123.185 119.914 0.146 0.000 2.583 1115 V HA -0.129 3.987 4.120 -0.007 0.000 0.302 1115 V C 0.369 176.535 176.094 0.120 0.000 1.033 1115 V CA 0.657 63.009 62.300 0.087 0.000 1.194 1115 V CB -0.816 31.040 31.823 0.054 0.000 0.879 1115 V HN 0.767 nan 8.190 nan 0.000 0.482 1116 N N 2.581 121.325 118.700 0.074 0.000 2.482 1116 N HA 0.343 5.079 4.740 -0.007 0.000 0.279 1116 N C 0.238 175.776 175.510 0.047 0.000 1.182 1116 N CA -0.314 52.780 53.050 0.072 0.000 0.969 1116 N CB 1.600 40.111 38.487 0.040 0.000 1.201 1116 N HN 0.788 nan 8.380 nan 0.000 0.523 1117 T N -2.086 112.495 114.554 0.046 0.000 2.919 1117 T HA 0.106 4.452 4.350 -0.007 0.000 0.302 1117 T C 1.099 175.818 174.700 0.031 0.000 1.031 1117 T CA -0.287 61.834 62.100 0.035 0.000 1.127 1117 T CB 0.938 69.828 68.868 0.036 0.000 0.952 1117 T HN 0.403 nan 8.240 nan 0.000 0.540 1118 E N 0.628 120.843 120.200 0.024 0.000 2.160 1118 E HA -0.212 4.134 4.350 -0.007 0.000 0.195 1118 E C 1.977 178.590 176.600 0.022 0.000 0.991 1118 E CA 1.327 57.738 56.400 0.019 0.000 0.810 1118 E CB 0.032 29.742 29.700 0.017 0.000 0.742 1118 E HN 0.934 nan 8.360 nan 0.000 0.466 1119 E N 0.580 120.796 120.200 0.026 0.000 2.017 1119 E HA -0.233 4.113 4.350 -0.007 0.000 0.193 1119 E C 2.074 178.695 176.600 0.036 0.000 0.997 1119 E CA 1.161 57.576 56.400 0.025 0.000 0.804 1119 E CB -0.120 29.596 29.700 0.027 0.000 0.757 1119 E HN 0.209 nan 8.360 nan 0.000 0.448 1120 A N 1.245 124.105 122.820 0.067 0.000 1.908 1120 A HA -0.215 4.100 4.320 -0.007 0.000 0.218 1120 A C 2.205 179.877 177.584 0.148 0.000 1.181 1120 A CA 1.798 53.916 52.037 0.135 0.000 0.627 1120 A CB -0.558 18.511 19.000 0.115 0.000 0.818 1120 A HN 0.246 nan 8.150 nan 0.000 0.445 1121 R N -1.194 119.346 120.500 0.067 0.000 2.075 1121 R HA -0.038 4.298 4.340 -0.007 0.000 0.232 1121 R C 1.902 178.204 176.300 0.004 0.000 1.126 1121 R CA 1.189 57.308 56.100 0.033 0.000 0.963 1121 R CB -0.465 29.837 30.300 0.003 0.000 0.858 1121 R HN 0.372 nan 8.270 nan 0.000 0.435 1122 L N 1.396 122.619 121.223 -0.001 0.000 2.027 1122 L HA -0.128 4.208 4.340 -0.007 0.000 0.206 1122 L C 2.244 179.078 176.870 -0.060 0.000 1.074 1122 L CA 1.700 56.533 54.840 -0.012 0.000 0.745 1122 L CB -0.683 41.377 42.059 0.001 0.000 0.898 1122 L HN 0.066 nan 8.230 nan 0.000 0.433 1123 K N -1.301 119.032 120.400 -0.112 0.000 2.360 1123 K HA -0.180 4.136 4.320 -0.007 0.000 0.201 1123 K C -0.048 176.148 176.600 -0.675 0.000 1.046 1123 K CA 1.253 57.349 56.287 -0.319 0.000 0.940 1123 K CB 0.053 32.373 32.500 -0.299 0.000 0.748 1123 K HN 0.320 nan 8.250 nan 0.000 0.465 1124 Y N -0.420 119.782 120.300 -0.164 0.000 2.555 1124 Y HA 0.266 4.812 4.550 -0.007 0.000 0.317 1124 Y C 0.791 176.415 175.900 -0.460 0.000 0.928 1124 Y CA -0.838 56.986 58.100 -0.462 0.000 1.116 1124 Y CB 0.625 38.824 38.460 -0.435 0.000 1.169 1124 Y HN -0.143 nan 8.280 nan 0.000 0.627 1125 R N 0.438 120.855 120.500 -0.138 0.000 2.103 1125 R HA -0.233 4.103 4.340 -0.007 0.000 0.242 1125 R C 1.614 177.898 176.300 -0.026 0.000 1.142 1125 R CA 2.201 58.283 56.100 -0.031 0.000 0.960 1125 R CB -0.605 29.771 30.300 0.127 0.000 0.858 1125 R HN 0.764 nan 8.270 nan 0.000 0.439 1126 Y N -1.538 118.855 120.300 0.155 0.000 2.403 1126 Y HA -0.106 4.441 4.550 -0.006 0.000 0.291 1126 Y C 1.788 177.704 175.900 0.027 0.000 1.143 1126 Y CA 0.416 58.584 58.100 0.114 0.000 1.257 1126 Y CB -0.518 38.040 38.460 0.163 0.000 0.984 1126 Y HN -0.117 nan 8.280 nan 0.000 0.550 1127 L N 0.616 121.707 121.223 -0.220 0.000 2.200 1127 L HA -0.006 4.330 4.340 -0.007 0.000 0.200 1127 L C 2.099 178.900 176.870 -0.114 0.000 1.072 1127 L CA 1.518 56.283 54.840 -0.126 0.000 0.787 1127 L CB -1.175 40.764 42.059 -0.200 0.000 0.957 1127 L HN 0.247 nan 8.230 nan 0.000 0.459 1128 D N -0.241 120.086 120.400 -0.120 0.000 2.149 1128 D HA -0.207 4.429 4.640 -0.007 0.000 0.198 1128 D C 2.129 178.373 176.300 -0.093 0.000 0.990 1128 D CA 1.259 55.204 54.000 -0.092 0.000 0.839 1128 D CB 0.020 40.774 40.800 -0.077 0.000 0.948 1128 D HN 0.278 nan 8.370 nan 0.000 0.460 1129 L N -0.279 120.885 121.223 -0.098 0.000 2.465 1129 L HA 0.052 4.388 4.340 -0.007 0.000 0.224 1129 L C 2.375 179.179 176.870 -0.110 0.000 1.145 1129 L CA 0.289 55.063 54.840 -0.109 0.000 0.834 1129 L CB -0.126 41.855 42.059 -0.131 0.000 0.944 1129 L HN -0.043 nan 8.230 nan 0.000 0.451 1130 R N -0.002 120.425 120.500 -0.122 0.000 2.280 1130 R HA -0.008 4.328 4.340 -0.007 0.000 0.207 1130 R C 0.461 176.691 176.300 -0.117 0.000 1.043 1130 R CA 0.220 56.220 56.100 -0.167 0.000 1.006 1130 R CB -0.059 30.106 30.300 -0.224 0.000 0.885 1130 R HN 0.316 nan 8.270 nan 0.000 0.467 1131 R N 0.893 121.338 120.500 -0.090 0.000 2.401 1131 R HA 0.046 4.382 4.340 -0.007 0.000 0.299 1131 R C -1.826 174.439 176.300 -0.058 0.000 1.064 1131 R CA -1.495 54.565 56.100 -0.066 0.000 1.000 1131 R CB 0.452 30.715 30.300 -0.061 0.000 0.973 1131 R HN -0.083 nan 8.270 nan 0.000 0.438 1132 P HA -0.201 nan 4.420 nan 0.000 0.215 1132 P C 0.304 177.580 177.300 -0.041 0.000 1.153 1132 P CA 1.236 64.314 63.100 -0.035 0.000 0.853 1132 P CB 0.326 32.014 31.700 -0.020 0.000 0.788 1133 E N -1.172 119.005 120.200 -0.039 0.000 2.085 1133 E HA -0.178 4.168 4.350 -0.007 0.000 0.194 1133 E C 1.980 178.551 176.600 -0.049 0.000 0.994 1133 E CA 1.388 57.764 56.400 -0.040 0.000 0.801 1133 E CB -0.923 28.756 29.700 -0.035 0.000 0.743 1133 E HN 0.211 nan 8.360 nan 0.000 0.453 1134 M N 0.179 119.746 119.600 -0.056 0.000 2.081 1134 M HA 0.054 4.530 4.480 -0.007 0.000 0.261 1134 M C 2.428 178.682 176.300 -0.077 0.000 1.075 1134 M CA 1.629 56.888 55.300 -0.069 0.000 1.133 1134 M CB -1.277 31.276 32.600 -0.079 0.000 1.330 1134 M HN 0.208 nan 8.290 nan 0.000 0.414 1135 A N -0.129 122.646 122.820 -0.076 0.000 1.978 1135 A HA -0.238 4.078 4.320 -0.007 0.000 0.220 1135 A C 2.139 179.683 177.584 -0.066 0.000 1.170 1135 A CA 2.060 54.052 52.037 -0.074 0.000 0.636 1135 A CB -0.780 18.180 19.000 -0.066 0.000 0.810 1135 A HN 0.534 nan 8.150 nan 0.000 0.448 1136 Q N 0.193 119.957 119.800 -0.060 0.000 2.124 1136 Q HA -0.153 4.183 4.340 -0.007 0.000 0.202 1136 Q C 2.125 178.083 176.000 -0.070 0.000 0.977 1136 Q CA 1.883 57.649 55.803 -0.060 0.000 0.850 1136 Q CB -0.315 28.390 28.738 -0.054 0.000 0.901 1136 Q HN 0.693 nan 8.270 nan 0.000 0.429 1137 R N -0.628 119.829 120.500 -0.072 0.000 2.081 1137 R HA -0.124 4.212 4.340 -0.007 0.000 0.235 1137 R C 2.021 178.273 176.300 -0.081 0.000 1.131 1137 R CA 1.358 57.411 56.100 -0.078 0.000 0.960 1137 R CB -0.442 29.814 30.300 -0.074 0.000 0.856 1137 R HN 0.253 nan 8.270 nan 0.000 0.436 1138 L N 1.263 122.439 121.223 -0.079 0.000 2.156 1138 L HA -0.089 4.247 4.340 -0.007 0.000 0.208 1138 L C 2.104 178.935 176.870 -0.065 0.000 1.095 1138 L CA 1.625 56.420 54.840 -0.074 0.000 0.770 1138 L CB -0.347 41.663 42.059 -0.082 0.000 0.914 1138 L HN 0.047 nan 8.230 nan 0.000 0.439 1139 K N -1.215 119.146 120.400 -0.066 0.000 2.097 1139 K HA -0.072 4.244 4.320 -0.007 0.000 0.205 1139 K C 1.948 178.505 176.600 -0.072 0.000 1.050 1139 K CA 1.589 57.839 56.287 -0.062 0.000 0.938 1139 K CB -0.271 32.192 32.500 -0.061 0.000 0.718 1139 K HN 0.273 nan 8.250 nan 0.000 0.442 1140 T N 0.817 115.320 114.554 -0.086 0.000 2.857 1140 T HA -0.096 4.250 4.350 -0.007 0.000 0.266 1140 T C 1.780 176.413 174.700 -0.111 0.000 1.048 1140 T CA 0.901 62.936 62.100 -0.108 0.000 1.139 1140 T CB -0.072 68.720 68.868 -0.126 0.000 0.874 1140 T HN 0.245 nan 8.240 nan 0.000 0.455 1141 R N 1.108 121.551 120.500 -0.095 0.000 2.127 1141 R HA -0.054 4.282 4.340 -0.007 0.000 0.238 1141 R C 2.399 178.658 176.300 -0.067 0.000 1.134 1141 R CA 1.435 57.484 56.100 -0.085 0.000 0.975 1141 R CB -0.345 29.915 30.300 -0.067 0.000 0.865 1141 R HN 0.370 nan 8.270 nan 0.000 0.447 1142 A N 0.596 123.381 122.820 -0.058 0.000 2.014 1142 A HA -0.110 4.206 4.320 -0.007 0.000 0.218 1142 A C 1.998 179.553 177.584 -0.047 0.000 1.163 1142 A CA 1.175 53.188 52.037 -0.041 0.000 0.652 1142 A CB -0.317 18.663 19.000 -0.033 0.000 0.808 1142 A HN 0.353 nan 8.150 nan 0.000 0.449 1143 K N -0.137 120.222 120.400 -0.069 0.000 2.148 1143 K HA -0.037 4.279 4.320 -0.007 0.000 0.204 1143 K C 1.660 178.207 176.600 -0.089 0.000 1.050 1143 K CA 1.235 57.475 56.287 -0.079 0.000 0.942 1143 K CB -0.251 32.186 32.500 -0.105 0.000 0.724 1143 K HN 0.527 nan 8.250 nan 0.000 0.446 1144 I N 0.838 121.345 120.570 -0.106 0.000 2.162 1144 I HA -0.259 3.907 4.170 -0.007 0.000 0.238 1144 I C 2.473 178.549 176.117 -0.068 0.000 1.076 1144 I CA 1.659 62.888 61.300 -0.119 0.000 1.353 1144 I CB -0.782 37.133 38.000 -0.143 0.000 1.063 1144 I HN 0.324 nan 8.210 nan 0.000 0.408 1145 T N -1.945 112.584 114.554 -0.041 0.000 2.737 1145 T HA -0.244 4.102 4.350 -0.007 0.000 0.269 1145 T C 2.012 176.723 174.700 0.018 0.000 1.040 1145 T CA 1.801 63.900 62.100 -0.002 0.000 1.142 1145 T CB -0.667 68.206 68.868 0.009 0.000 0.861 1145 T HN 0.306 nan 8.240 nan 0.000 0.456 1146 S N 0.962 116.666 115.700 0.006 0.000 2.356 1146 S HA 0.034 4.499 4.470 -0.007 0.000 0.223 1146 S C 2.046 176.672 174.600 0.043 0.000 1.032 1146 S CA 1.032 59.247 58.200 0.025 0.000 1.005 1146 S CB -0.621 62.584 63.200 0.009 0.000 0.867 1146 S HN 0.580 nan 8.310 nan 0.000 0.449 1147 L N 1.003 122.238 121.223 0.021 0.000 2.046 1147 L HA -0.067 4.269 4.340 -0.007 0.000 0.208 1147 L C 2.542 179.475 176.870 0.104 0.000 1.077 1147 L CA 1.012 55.892 54.840 0.066 0.000 0.747 1147 L CB -0.634 41.408 42.059 -0.029 0.000 0.896 1147 L HN 0.235 nan 8.230 nan 0.000 0.432 1148 V N -0.193 119.736 119.914 0.025 0.000 2.255 1148 V HA -0.294 3.821 4.120 -0.007 0.000 0.247 1148 V C 2.677 178.780 176.094 0.015 0.000 1.051 1148 V CA 1.779 64.076 62.300 -0.005 0.000 1.018 1148 V CB -0.609 31.195 31.823 -0.031 0.000 0.641 1148 V HN 0.416 nan 8.190 nan 0.000 0.445 1149 R N -0.140 120.400 120.500 0.067 0.000 2.073 1149 R HA -0.125 4.211 4.340 -0.007 0.000 0.234 1149 R C 2.480 178.831 176.300 0.085 0.000 1.134 1149 R CA 1.524 57.692 56.100 0.112 0.000 0.952 1149 R CB -0.401 30.011 30.300 0.187 0.000 0.850 1149 R HN 0.515 nan 8.270 nan 0.000 0.433 1150 R N -0.515 120.049 120.500 0.106 0.000 2.115 1150 R HA -0.117 4.219 4.340 -0.007 0.000 0.230 1150 R C 2.085 178.449 176.300 0.108 0.000 1.111 1150 R CA 1.190 57.353 56.100 0.105 0.000 0.976 1150 R CB -0.334 30.032 30.300 0.111 0.000 0.870 1150 R HN 0.181 nan 8.270 nan 0.000 0.445 1151 F N 1.346 121.273 119.950 -0.038 0.000 2.098 1151 F HA -0.162 4.360 4.527 -0.009 0.000 0.294 1151 F C 2.228 178.005 175.800 -0.038 0.000 1.107 1151 F CA 1.378 59.335 58.000 -0.071 0.000 1.234 1151 F CB -0.022 38.874 39.000 -0.173 0.000 1.002 1151 F HN -0.176 nan 8.300 nan 0.000 0.472 1152 M N 0.445 119.999 119.600 -0.078 0.000 2.065 1152 M HA -0.234 4.242 4.480 -0.007 0.000 0.259 1152 M C 1.863 178.124 176.300 -0.065 0.000 1.069 1152 M CA 1.698 56.783 55.300 -0.358 0.000 1.110 1152 M CB -1.607 30.307 32.600 -1.143 0.000 1.328 1152 M HN 0.123 nan 8.290 nan 0.000 0.405 1153 D N 0.613 121.011 120.400 -0.003 0.000 2.158 1153 D HA -0.192 4.444 4.640 -0.007 0.000 0.197 1153 D C 1.721 178.068 176.300 0.078 0.000 0.995 1153 D CA 1.245 55.323 54.000 0.131 0.000 0.846 1153 D CB -0.539 40.344 40.800 0.138 0.000 0.941 1153 D HN 0.481 nan 8.370 nan 0.000 0.456 1154 D N -0.406 119.999 120.400 0.008 0.000 2.264 1154 D HA -0.142 4.494 4.640 -0.007 0.000 0.208 1154 D C 0.428 176.617 176.300 -0.185 0.000 0.966 1154 D CA 0.693 54.638 54.000 -0.092 0.000 0.864 1154 D CB 0.127 40.835 40.800 -0.154 0.000 0.933 1154 D HN 0.292 nan 8.370 nan 0.000 0.499 1155 H N -1.189 117.800 119.070 -0.135 0.000 2.524 1155 H HA 0.361 4.912 4.556 -0.008 0.000 0.299 1155 H C 1.125 176.543 175.328 0.150 0.000 1.074 1155 H CA 0.469 56.505 56.048 -0.020 0.000 1.115 1155 H CB 0.529 30.264 29.762 -0.044 0.000 1.522 1155 H HN 0.152 nan 8.280 nan 0.000 0.543 1156 G N 0.129 109.025 108.800 0.161 0.000 2.179 1156 G HA2 -0.304 3.652 3.960 -0.007 0.000 0.257 1156 G HA3 -0.304 3.652 3.960 -0.007 0.000 0.257 1156 G C -0.264 174.677 174.900 0.068 0.000 1.010 1156 G CA -0.096 45.053 45.100 0.081 0.000 0.736 1156 G HN 0.243 nan 8.290 nan 0.000 0.513 1157 F N -0.530 119.495 119.950 0.126 0.000 2.399 1157 F HA 0.671 5.193 4.527 -0.008 0.000 0.334 1157 F C 0.896 176.894 175.800 0.330 0.000 1.097 1157 F CA -1.052 57.083 58.000 0.224 0.000 1.076 1157 F CB 1.329 40.442 39.000 0.188 0.000 1.162 1157 F HN -0.067 nan 8.300 nan 0.000 0.495 1158 L N 2.858 124.348 121.223 0.444 0.000 2.265 1158 L HA 0.255 4.590 4.340 -0.007 0.000 0.289 1158 L C -0.273 176.601 176.870 0.007 0.000 1.033 1158 L CA -0.737 54.250 54.840 0.244 0.000 0.814 1158 L CB 0.880 43.033 42.059 0.156 0.000 1.203 1158 L HN 0.482 nan 8.230 nan 0.000 0.423 1159 D N 5.379 125.651 120.400 -0.213 0.000 2.342 1159 D HA 0.250 4.886 4.640 -0.007 0.000 0.260 1159 D C -0.536 175.586 176.300 -0.297 0.000 1.278 1159 D CA 0.350 53.952 54.000 -0.664 0.000 0.910 1159 D CB 0.364 40.864 40.800 -0.500 0.000 1.079 1159 D HN 0.258 nan 8.370 nan 0.000 0.496 1160 I N 3.133 123.577 120.570 -0.211 0.000 2.466 1160 I HA 0.178 4.344 4.170 -0.007 0.000 0.289 1160 I C 0.286 176.405 176.117 0.002 0.000 1.026 1160 I CA -0.870 60.383 61.300 -0.077 0.000 1.078 1160 I CB 1.958 39.921 38.000 -0.061 0.000 1.249 1160 I HN 0.124 nan 8.210 nan 0.000 0.429 1161 E N 4.429 124.589 120.200 -0.068 0.000 2.289 1161 E HA 0.281 4.627 4.350 -0.007 0.000 0.278 1161 E C -0.200 176.341 176.600 -0.099 0.000 1.032 1161 E CA -0.331 56.031 56.400 -0.063 0.000 0.854 1161 E CB 1.155 30.805 29.700 -0.083 0.000 1.046 1161 E HN 0.617 nan 8.360 nan 0.000 0.409 1162 T N 0.178 114.669 114.554 -0.105 0.000 2.948 1162 T HA 0.602 4.947 4.350 -0.007 0.000 0.285 1162 T C -2.319 172.185 174.700 -0.327 0.000 1.019 1162 T CA -1.975 59.958 62.100 -0.278 0.000 1.013 1162 T CB 1.350 70.084 68.868 -0.225 0.000 1.117 1162 T HN 0.176 nan 8.240 nan 0.000 0.533 1163 P HA 0.459 nan 4.420 nan 0.000 0.282 1163 P C 0.037 177.199 177.300 -0.230 0.000 1.259 1163 P CA -0.865 62.013 63.100 -0.371 0.000 0.826 1163 P CB 1.125 32.582 31.700 -0.405 0.000 1.064 1164 M N -0.113 119.401 119.600 -0.143 0.000 2.615 1164 M HA 0.178 4.654 4.480 -0.007 0.000 0.262 1164 M C 0.891 177.122 176.300 -0.116 0.000 1.198 1164 M CA 0.559 55.803 55.300 -0.094 0.000 1.165 1164 M CB 0.192 32.736 32.600 -0.093 0.000 1.310 1164 M HN 0.163 nan 8.290 nan 0.000 0.494 1165 L N 2.398 123.526 121.223 -0.158 0.000 2.466 1165 L HA 0.166 4.502 4.340 -0.007 0.000 0.248 1165 L C 0.412 177.287 176.870 0.008 0.000 1.240 1165 L CA -0.293 54.427 54.840 -0.200 0.000 1.180 1165 L CB -0.761 41.007 42.059 -0.485 0.000 1.413 1165 L HN 0.360 nan 8.230 nan 0.000 0.406 1166 T N -1.921 112.707 114.554 0.124 0.000 2.586 1166 T HA 0.451 4.797 4.350 -0.007 0.000 0.224 1166 T C -0.255 174.588 174.700 0.237 0.000 0.878 1166 T CA -0.739 61.491 62.100 0.217 0.000 1.153 1166 T CB 1.418 70.458 68.868 0.287 0.000 1.777 1166 T HN 0.267 nan 8.240 nan 0.000 0.522 1167 K N 0.097 120.620 120.400 0.205 0.000 2.375 1167 K HA 0.767 5.082 4.320 -0.007 0.000 0.249 1167 K C -0.276 176.430 176.600 0.177 0.000 0.942 1167 K CA -1.024 55.351 56.287 0.146 0.000 0.806 1167 K CB 1.970 34.510 32.500 0.068 0.000 1.227 1167 K HN 0.815 nan 8.250 nan 0.000 0.430 1168 A N 1.358 124.272 122.820 0.157 0.000 2.586 1168 A HA 0.154 4.470 4.320 -0.007 0.000 0.231 1168 A C -0.048 177.686 177.584 0.249 0.000 1.055 1168 A CA 0.710 52.854 52.037 0.178 0.000 0.756 1168 A CB -0.025 19.049 19.000 0.123 0.000 0.988 1168 A HN 0.724 nan 8.150 nan 0.000 0.509 1169 T N 2.811 117.526 114.554 0.268 0.000 2.971 1169 T HA 0.595 4.941 4.350 -0.007 0.000 0.304 1169 T C -3.105 171.781 174.700 0.310 0.000 1.038 1169 T CA -1.417 60.880 62.100 0.329 0.000 1.007 1169 T CB 1.303 70.308 68.868 0.228 0.000 1.055 1169 T HN 0.391 nan 8.240 nan 0.000 0.451 1170 P HA 0.423 nan 4.420 nan 0.000 0.276 1170 P C -0.248 177.174 177.300 0.203 0.000 1.264 1170 P CA 0.017 63.273 63.100 0.260 0.000 0.769 1170 P CB 0.839 32.690 31.700 0.250 0.000 0.840 1171 E N 2.107 122.405 120.200 0.163 0.000 2.641 1171 E HA 0.295 4.641 4.350 -0.007 0.000 0.224 1171 E C 1.179 177.840 176.600 0.101 0.000 0.951 1171 E CA 0.387 56.867 56.400 0.133 0.000 1.102 1171 E CB 0.068 29.870 29.700 0.169 0.000 1.091 1171 E HN 0.531 nan 8.360 nan 0.000 0.507 1172 G N -0.606 108.251 108.800 0.095 0.000 2.284 1172 G HA2 -0.085 3.871 3.960 -0.007 0.000 0.201 1172 G HA3 -0.085 3.871 3.960 -0.007 0.000 0.201 1172 G C 0.459 175.401 174.900 0.069 0.000 0.998 1172 G CA -0.054 45.090 45.100 0.074 0.000 0.651 1172 G HN 0.509 nan 8.290 nan 0.000 0.489 1173 A N -0.052 122.816 122.820 0.080 0.000 2.373 1173 A HA 0.942 5.258 4.320 -0.007 0.000 0.291 1173 A C 0.356 177.959 177.584 0.032 0.000 1.171 1173 A CA -0.438 51.632 52.037 0.054 0.000 0.922 1173 A CB 0.807 19.848 19.000 0.069 0.000 1.400 1173 A HN 0.431 nan 8.150 nan 0.000 0.474 1174 R N 0.332 120.820 120.500 -0.020 0.000 2.560 1174 R HA 0.401 4.737 4.340 -0.007 0.000 0.270 1174 R C -1.178 175.067 176.300 -0.093 0.000 1.074 1174 R CA -0.544 55.524 56.100 -0.054 0.000 1.140 1174 R CB 0.475 30.720 30.300 -0.092 0.000 1.073 1174 R HN 0.623 nan 8.270 nan 0.000 0.527 1175 D N 0.941 121.301 120.400 -0.066 0.000 2.175 1175 D HA 0.125 4.761 4.640 -0.007 0.000 0.248 1175 D C -0.671 175.590 176.300 -0.065 0.000 1.047 1175 D CA -0.140 53.844 54.000 -0.026 0.000 0.883 1175 D CB 1.013 41.843 40.800 0.050 0.000 1.180 1175 D HN 0.286 nan 8.370 nan 0.000 0.438 1176 Y N 1.130 121.489 120.300 0.098 0.000 2.359 1176 Y HA 0.209 4.756 4.550 -0.004 0.000 0.334 1176 Y C 0.728 176.665 175.900 0.060 0.000 1.058 1176 Y CA -0.180 57.965 58.100 0.074 0.000 1.244 1176 Y CB 0.596 39.098 38.460 0.070 0.000 1.187 1176 Y HN 0.053 nan 8.280 nan 0.000 0.510 1177 L N 3.485 124.840 121.223 0.220 0.000 2.387 1177 L HA 0.740 5.076 4.340 -0.007 0.000 0.266 1177 L C -0.760 176.274 176.870 0.273 0.000 1.059 1177 L CA -1.280 53.693 54.840 0.221 0.000 0.801 1177 L CB 1.378 43.521 42.059 0.140 0.000 1.223 1177 L HN 0.210 nan 8.230 nan 0.000 0.456 1178 V N 1.018 121.143 119.914 0.351 0.000 2.488 1178 V HA 0.280 4.395 4.120 -0.007 0.000 0.293 1178 V C -2.420 173.847 176.094 0.289 0.000 1.027 1178 V CA -1.563 60.905 62.300 0.279 0.000 0.862 1178 V CB 1.733 33.663 31.823 0.179 0.000 1.008 1178 V HN 0.580 nan 8.190 nan 0.000 0.428 1179 P HA 0.104 nan 4.420 nan 0.000 0.266 1179 P C -0.260 176.965 177.300 -0.126 0.000 1.195 1179 P CA 0.425 63.355 63.100 -0.284 0.000 0.768 1179 P CB 0.615 32.228 31.700 -0.145 0.000 0.838 1180 S N 2.248 117.791 115.700 -0.261 0.000 2.480 1180 S HA 0.229 4.695 4.470 -0.007 0.000 0.286 1180 S C 1.173 175.726 174.600 -0.078 0.000 1.180 1180 S CA -0.635 57.550 58.200 -0.025 0.000 1.075 1180 S CB 0.359 63.499 63.200 -0.100 0.000 0.996 1180 S HN 0.416 nan 8.310 nan 0.000 0.487 1181 R N 3.454 123.941 120.500 -0.020 0.000 2.100 1181 R HA 0.058 4.394 4.340 -0.007 0.000 0.220 1181 R C 1.246 177.477 176.300 -0.114 0.000 1.091 1181 R CA 1.206 57.268 56.100 -0.063 0.000 0.986 1181 R CB -0.293 29.982 30.300 -0.042 0.000 0.888 1181 R HN 0.620 nan 8.270 nan 0.000 0.444 1182 V N 0.519 120.333 119.914 -0.165 0.000 2.649 1182 V HA -0.050 4.065 4.120 -0.007 0.000 0.248 1182 V C 0.512 176.260 176.094 -0.577 0.000 1.054 1182 V CA 1.044 63.121 62.300 -0.371 0.000 1.073 1182 V CB -0.310 31.230 31.823 -0.472 0.000 0.699 1182 V HN 0.316 nan 8.190 nan 0.000 0.463 1183 H N 1.100 120.121 119.070 -0.082 0.000 2.632 1183 H HA 0.325 4.876 4.556 -0.008 0.000 0.258 1183 H C 0.152 175.398 175.328 -0.137 0.000 1.278 1183 H CA -0.662 55.322 56.048 -0.107 0.000 1.352 1183 H CB 0.507 30.186 29.762 -0.139 0.000 1.418 1183 H HN 0.313 nan 8.280 nan 0.000 0.513 1184 K N 0.882 121.254 120.400 -0.047 0.000 2.550 1184 K HA -0.019 4.297 4.320 -0.007 0.000 0.280 1184 K C 1.114 177.686 176.600 -0.047 0.000 0.987 1184 K CA 1.341 57.591 56.287 -0.062 0.000 1.048 1184 K CB 0.166 32.643 32.500 -0.038 0.000 0.879 1184 K HN 0.887 nan 8.250 nan 0.000 0.491 1185 G N 2.900 111.654 108.800 -0.076 0.000 2.220 1185 G HA2 -0.316 3.639 3.960 -0.007 0.000 0.269 1185 G HA3 -0.316 3.639 3.960 -0.007 0.000 0.269 1185 G C -0.228 174.699 174.900 0.045 0.000 0.977 1185 G CA 0.815 45.926 45.100 0.019 0.000 0.634 1185 G HN 0.610 nan 8.290 nan 0.000 0.539 1186 K N -0.693 119.623 120.400 -0.139 0.000 2.123 1186 K HA 0.759 5.074 4.320 -0.007 0.000 0.248 1186 K C -0.833 175.526 176.600 -0.401 0.000 0.969 1186 K CA -0.641 55.593 56.287 -0.089 0.000 0.882 1186 K CB 1.078 33.511 32.500 -0.112 0.000 1.080 1186 K HN 0.052 nan 8.250 nan 0.000 0.441 1187 F N 0.283 120.148 119.950 -0.141 0.000 2.599 1187 F HA 0.385 4.908 4.527 -0.007 0.000 0.311 1187 F C -0.492 175.199 175.800 -0.182 0.000 1.076 1187 F CA -0.876 57.059 58.000 -0.108 0.000 0.937 1187 F CB 0.944 39.938 39.000 -0.011 0.000 1.282 1187 F HN 0.354 nan 8.300 nan 0.000 0.460 1188 Y N 0.555 120.960 120.300 0.175 0.000 2.488 1188 Y HA 0.742 5.292 4.550 -0.001 0.000 0.325 1188 Y C 0.047 176.021 175.900 0.122 0.000 1.204 1188 Y CA -1.100 57.061 58.100 0.101 0.000 1.229 1188 Y CB 1.508 39.993 38.460 0.043 0.000 1.274 1188 Y HN 0.648 nan 8.280 nan 0.000 0.493 1189 A N 2.108 125.085 122.820 0.261 0.000 2.356 1189 A HA 0.639 4.955 4.320 -0.007 0.000 0.310 1189 A C -1.264 176.401 177.584 0.134 0.000 1.075 1189 A CA -0.780 51.366 52.037 0.182 0.000 0.746 1189 A CB 0.573 19.665 19.000 0.154 0.000 1.221 1189 A HN 0.749 nan 8.150 nan 0.000 0.443 1190 L N 3.922 125.193 121.223 0.079 0.000 2.416 1190 L HA 0.281 4.617 4.340 -0.007 0.000 0.272 1190 L C -1.720 175.236 176.870 0.143 0.000 1.161 1190 L CA -1.542 53.268 54.840 -0.049 0.000 0.845 1190 L CB 0.778 42.626 42.059 -0.351 0.000 1.119 1190 L HN 0.521 nan 8.230 nan 0.000 0.464 1191 P HA -0.029 nan 4.420 nan 0.000 0.261 1191 P C -0.355 177.134 177.300 0.315 0.000 1.203 1191 P CA 0.058 63.316 63.100 0.264 0.000 0.767 1191 P CB 0.744 32.588 31.700 0.239 0.000 0.785 1192 Q N 1.164 121.125 119.800 0.269 0.000 2.488 1192 Q HA 0.041 4.377 4.340 -0.007 0.000 0.211 1192 Q C 0.630 176.767 176.000 0.228 0.000 0.967 1192 Q CA 0.692 56.653 55.803 0.264 0.000 0.926 1192 Q CB 0.225 29.103 28.738 0.232 0.000 0.992 1192 Q HN 0.550 nan 8.270 nan 0.000 0.506 1193 S N -1.595 114.230 115.700 0.207 0.000 2.686 1193 S HA 0.184 4.650 4.470 -0.007 0.000 0.273 1193 S C -2.810 171.910 174.600 0.200 0.000 1.060 1193 S CA -0.973 57.336 58.200 0.181 0.000 0.845 1193 S CB 0.839 64.152 63.200 0.189 0.000 1.086 1193 S HN -0.204 nan 8.310 nan 0.000 0.461 1194 P HA 0.214 nan 4.420 nan 0.000 0.261 1194 P C 1.087 178.512 177.300 0.209 0.000 1.352 1194 P CA -0.082 63.167 63.100 0.248 0.000 0.891 1194 P CB 0.326 32.164 31.700 0.230 0.000 1.383 1195 Q N 1.078 120.956 119.800 0.129 0.000 2.007 1195 Q HA -0.247 4.089 4.340 -0.007 0.000 0.214 1195 Q C 1.675 177.608 176.000 -0.111 0.000 1.031 1195 Q CA 2.172 57.976 55.803 0.002 0.000 0.886 1195 Q CB -1.374 27.307 28.738 -0.096 0.000 0.992 1195 Q HN 0.063 nan 8.270 nan 0.000 0.415 1196 L N -0.561 120.538 121.223 -0.207 0.000 2.079 1196 L HA -0.126 4.210 4.340 -0.007 0.000 0.210 1196 L C 2.263 178.979 176.870 -0.258 0.000 1.081 1196 L CA 1.615 56.267 54.840 -0.312 0.000 0.752 1196 L CB -0.987 40.917 42.059 -0.259 0.000 0.896 1196 L HN 0.278 nan 8.230 nan 0.000 0.433 1197 F N 0.307 120.218 119.950 -0.065 0.000 2.186 1197 F HA -0.177 4.350 4.527 0.000 0.000 0.299 1197 F C 2.333 178.003 175.800 -0.216 0.000 1.090 1197 F CA 1.397 59.330 58.000 -0.112 0.000 1.307 1197 F CB -0.590 38.347 39.000 -0.106 0.000 1.019 1197 F HN 0.192 nan 8.300 nan 0.000 0.489 1198 K N -0.044 120.297 120.400 -0.099 0.000 2.217 1198 K HA -0.150 4.166 4.320 -0.007 0.000 0.202 1198 K C 1.824 178.316 176.600 -0.180 0.000 1.051 1198 K CA 1.266 57.314 56.287 -0.398 0.000 0.952 1198 K CB -0.575 31.712 32.500 -0.356 0.000 0.736 1198 K HN 0.298 nan 8.250 nan 0.000 0.453 1199 Q N 1.136 120.890 119.800 -0.078 0.000 2.020 1199 Q HA -0.034 4.302 4.340 -0.007 0.000 0.202 1199 Q C 2.221 178.133 176.000 -0.146 0.000 0.982 1199 Q CA 1.517 57.291 55.803 -0.050 0.000 0.838 1199 Q CB -0.179 28.565 28.738 0.010 0.000 0.899 1199 Q HN 0.338 nan 8.270 nan 0.000 0.423 1200 L N 0.444 121.613 121.223 -0.090 0.000 2.187 1200 L HA -0.206 4.130 4.340 -0.007 0.000 0.213 1200 L C 2.179 179.042 176.870 -0.012 0.000 1.100 1200 L CA 0.756 55.572 54.840 -0.041 0.000 0.765 1200 L CB -0.355 41.704 42.059 -0.001 0.000 0.904 1200 L HN 0.286 nan 8.230 nan 0.000 0.437 1201 L N -1.170 120.034 121.223 -0.032 0.000 2.291 1201 L HA -0.143 4.193 4.340 -0.007 0.000 0.214 1201 L C 2.492 179.423 176.870 0.101 0.000 1.120 1201 L CA 0.435 55.319 54.840 0.073 0.000 0.799 1201 L CB -0.176 41.810 42.059 -0.122 0.000 0.925 1201 L HN 0.325 nan 8.230 nan 0.000 0.446 1202 M N -1.156 118.397 119.600 -0.078 0.000 2.236 1202 M HA -0.075 4.401 4.480 -0.007 0.000 0.266 1202 M C 2.166 178.347 176.300 -0.197 0.000 1.070 1202 M CA 1.539 56.742 55.300 -0.161 0.000 1.137 1202 M CB -0.718 31.666 32.600 -0.360 0.000 1.378 1202 M HN 0.251 nan 8.290 nan 0.000 0.426 1203 M N -0.759 118.726 119.600 -0.192 0.000 2.476 1203 M HA -0.061 4.415 4.480 -0.007 0.000 0.262 1203 M C 1.587 177.849 176.300 -0.063 0.000 1.079 1203 M CA 0.840 56.067 55.300 -0.122 0.000 1.104 1203 M CB -0.446 32.108 32.600 -0.075 0.000 1.409 1203 M HN 0.111 nan 8.290 nan 0.000 0.467 1204 S N -0.231 115.448 115.700 -0.035 0.000 2.558 1204 S HA 0.190 4.656 4.470 -0.007 0.000 0.217 1204 S C 1.519 175.965 174.600 -0.257 0.000 0.975 1204 S CA 0.758 58.921 58.200 -0.062 0.000 0.912 1204 S CB 0.244 63.523 63.200 0.132 0.000 0.776 1204 S HN 0.751 nan 8.310 nan 0.000 0.526 1205 G N 1.052 109.734 108.800 -0.196 0.000 2.176 1205 G HA2 -0.231 3.725 3.960 -0.007 0.000 0.232 1205 G HA3 -0.231 3.725 3.960 -0.007 0.000 0.232 1205 G C -0.008 174.740 174.900 -0.254 0.000 0.986 1205 G CA -0.572 44.384 45.100 -0.239 0.000 0.643 1205 G HN 0.467 nan 8.290 nan 0.000 0.522 1206 F N 2.165 122.107 119.950 -0.015 0.000 2.494 1206 F HA 0.371 4.897 4.527 -0.002 0.000 0.351 1206 F C 1.492 177.292 175.800 -0.001 0.000 1.205 1206 F CA 0.028 58.036 58.000 0.014 0.000 1.125 1206 F CB 0.682 39.710 39.000 0.047 0.000 1.268 1206 F HN 0.105 nan 8.300 nan 0.000 0.593 1207 D N 2.301 122.761 120.400 0.101 0.000 2.149 1207 D HA -0.186 4.450 4.640 -0.007 0.000 0.194 1207 D C 0.465 176.760 176.300 -0.009 0.000 1.001 1207 D CA 1.750 55.765 54.000 0.026 0.000 0.849 1207 D CB 0.291 41.107 40.800 0.027 0.000 0.939 1207 D HN 0.434 nan 8.370 nan 0.000 0.449 1208 R N -0.882 119.612 120.500 -0.009 0.000 2.502 1208 R HA 0.324 4.660 4.340 -0.007 0.000 0.300 1208 R C -1.339 175.103 176.300 0.236 0.000 0.984 1208 R CA -0.792 55.223 56.100 -0.142 0.000 0.882 1208 R CB 1.828 31.591 30.300 -0.895 0.000 1.180 1208 R HN 0.120 nan 8.270 nan 0.000 0.444 1209 Y N 3.735 124.219 120.300 0.306 0.000 2.630 1209 Y HA 0.678 5.223 4.550 -0.009 0.000 0.337 1209 Y C -1.368 174.876 175.900 0.573 0.000 1.051 1209 Y CA -0.912 57.394 58.100 0.343 0.000 1.121 1209 Y CB 1.633 40.199 38.460 0.178 0.000 1.299 1209 Y HN 0.632 nan 8.280 nan 0.000 0.498 1210 Y N 0.795 120.507 120.300 -0.980 0.000 2.765 1210 Y HA 0.493 5.041 4.550 -0.004 0.000 0.350 1210 Y C -2.284 173.134 175.900 -0.803 0.000 1.196 1210 Y CA -0.885 56.671 58.100 -0.906 0.000 1.119 1210 Y CB 0.495 38.797 38.460 -0.264 0.000 1.368 1210 Y HN 0.926 nan 8.280 nan 0.000 0.463 1211 Q N 2.222 121.670 119.800 -0.587 0.000 2.686 1211 Q HA 0.529 4.865 4.340 -0.007 0.000 0.266 1211 Q C -2.311 173.642 176.000 -0.077 0.000 0.965 1211 Q CA -0.942 54.597 55.803 -0.439 0.000 0.894 1211 Q CB 1.676 30.225 28.738 -0.314 0.000 1.583 1211 Q HN 0.839 nan 8.270 nan 0.000 0.405 1212 I N 3.015 123.567 120.570 -0.030 0.000 2.287 1212 I HA 0.428 4.594 4.170 -0.007 0.000 0.290 1212 I C -0.184 175.933 176.117 0.000 0.000 1.069 1212 I CA -0.899 60.422 61.300 0.036 0.000 1.237 1212 I CB 0.888 38.922 38.000 0.057 0.000 1.418 1212 I HN 0.504 nan 8.210 nan 0.000 0.481 1213 V N 2.800 122.716 119.914 0.004 0.000 2.864 1213 V HA 0.575 4.691 4.120 -0.007 0.000 0.314 1213 V C -0.290 175.744 176.094 -0.099 0.000 1.073 1213 V CA -1.217 61.070 62.300 -0.023 0.000 0.956 1213 V CB 1.951 33.781 31.823 0.012 0.000 1.023 1213 V HN 0.479 nan 8.190 nan 0.000 0.435 1214 K N 1.548 121.875 120.400 -0.121 0.000 2.258 1214 K HA 0.589 4.904 4.320 -0.007 0.000 0.284 1214 K C -0.828 175.529 176.600 -0.406 0.000 1.051 1214 K CA 0.095 56.198 56.287 -0.305 0.000 0.923 1214 K CB 0.280 32.652 32.500 -0.213 0.000 1.046 1214 K HN 0.985 nan 8.250 nan 0.000 0.474 1215 C N 4.037 122.861 119.300 -0.794 0.000 2.470 1215 C HA 0.639 5.095 4.460 -0.007 0.000 0.341 1215 C C -0.963 173.575 174.990 -0.753 0.000 1.190 1215 C CA -0.824 57.819 59.018 -0.625 0.000 1.904 1215 C CB 0.105 27.343 27.740 -0.837 0.000 2.354 1215 C HN 0.695 nan 8.230 nan 0.000 0.509 1216 F N 1.329 121.281 119.950 0.004 0.000 2.539 1216 F HA 0.620 5.140 4.527 -0.013 0.000 0.318 1216 F C 0.384 176.381 175.800 0.328 0.000 1.135 1216 F CA -0.625 57.513 58.000 0.230 0.000 0.915 1216 F CB 1.021 40.187 39.000 0.276 0.000 1.176 1216 F HN 0.334 nan 8.300 nan 0.000 0.440 1217 R N 1.310 122.125 120.500 0.525 0.000 2.510 1217 R HA 0.218 4.554 4.340 -0.007 0.000 0.294 1217 R C -1.653 174.741 176.300 0.157 0.000 1.056 1217 R CA -0.841 55.444 56.100 0.307 0.000 0.918 1217 R CB 2.086 32.579 30.300 0.321 0.000 1.187 1217 R HN 0.501 nan 8.270 nan 0.000 0.437 1218 D N 4.096 124.376 120.400 -0.200 0.000 2.435 1218 D HA 0.035 4.671 4.640 -0.007 0.000 0.230 1218 D C -0.309 175.946 176.300 -0.075 0.000 1.215 1218 D CA 0.116 53.927 54.000 -0.316 0.000 0.947 1218 D CB 0.437 40.812 40.800 -0.708 0.000 1.048 1218 D HN 0.566 nan 8.370 nan 0.000 0.512 1219 E N 1.379 121.596 120.200 0.028 0.000 2.459 1219 E HA 0.362 4.708 4.350 -0.007 0.000 0.275 1219 E C -1.006 175.629 176.600 0.057 0.000 0.987 1219 E CA -1.048 55.376 56.400 0.040 0.000 0.828 1219 E CB 0.633 30.365 29.700 0.053 0.000 1.428 1219 E HN -0.012 nan 8.360 nan 0.000 0.457 1220 D N 1.027 121.455 120.400 0.046 0.000 2.424 1220 D HA 0.191 4.827 4.640 -0.007 0.000 0.244 1220 D C -0.043 176.289 176.300 0.053 0.000 1.134 1220 D CA 0.313 54.342 54.000 0.048 0.000 0.881 1220 D CB 0.708 41.530 40.800 0.037 0.000 1.191 1220 D HN 0.262 nan 8.370 nan 0.000 0.445 1221 L N 2.450 123.708 121.223 0.059 0.000 2.416 1221 L HA 0.598 4.934 4.340 -0.007 0.000 0.262 1221 L C 1.015 177.914 176.870 0.049 0.000 1.093 1221 L CA -0.622 54.253 54.840 0.059 0.000 0.801 1221 L CB 0.965 43.068 42.059 0.073 0.000 1.191 1221 L HN 0.472 nan 8.230 nan 0.000 0.459 1222 R N 0.188 120.716 120.500 0.047 0.000 3.034 1222 R HA 0.563 4.899 4.340 -0.007 0.000 0.264 1222 R C 0.250 176.583 176.300 0.055 0.000 1.030 1222 R CA -0.246 55.883 56.100 0.048 0.000 0.903 1222 R CB 0.625 30.953 30.300 0.047 0.000 1.414 1222 R HN 0.379 nan 8.270 nan 0.000 0.429 1223 A N 0.341 123.201 122.820 0.066 0.000 1.978 1223 A HA -0.156 4.160 4.320 -0.007 0.000 0.220 1223 A C 0.788 178.433 177.584 0.101 0.000 1.170 1223 A CA 1.988 54.075 52.037 0.083 0.000 0.636 1223 A CB -0.869 18.191 19.000 0.100 0.000 0.810 1223 A HN 0.731 nan 8.150 nan 0.000 0.448 1224 D N -1.658 118.808 120.400 0.111 0.000 2.559 1224 D HA 0.217 4.852 4.640 -0.007 0.000 0.234 1224 D C 0.233 176.542 176.300 0.017 0.000 1.226 1224 D CA -0.199 53.864 54.000 0.105 0.000 0.830 1224 D CB -0.113 40.825 40.800 0.230 0.000 1.028 1224 D HN 0.321 nan 8.370 nan 0.000 0.492 1225 R N -0.007 120.501 120.500 0.013 0.000 2.673 1225 R HA 0.483 4.819 4.340 -0.007 0.000 0.281 1225 R C -0.787 175.530 176.300 0.028 0.000 0.991 1225 R CA -0.714 55.373 56.100 -0.021 0.000 0.896 1225 R CB 2.091 32.387 30.300 -0.007 0.000 1.201 1225 R HN -0.025 nan 8.270 nan 0.000 0.457 1226 Q N 1.928 121.758 119.800 0.050 0.000 2.421 1226 Q HA 0.280 4.616 4.340 -0.007 0.000 0.280 1226 Q C -1.955 174.167 176.000 0.204 0.000 1.085 1226 Q CA -1.887 53.989 55.803 0.121 0.000 0.807 1226 Q CB 2.575 31.390 28.738 0.128 0.000 1.405 1226 Q HN 0.342 nan 8.270 nan 0.000 0.419 1227 P HA -0.183 nan 4.420 nan 0.000 0.216 1227 P C -0.329 177.162 177.300 0.319 0.000 1.150 1227 P CA 1.385 64.686 63.100 0.335 0.000 0.837 1227 P CB 0.554 32.449 31.700 0.325 0.000 0.786 1228 E N 0.016 120.299 120.200 0.138 0.000 2.210 1228 E HA 0.544 4.890 4.350 -0.007 0.000 0.266 1228 E C -0.559 176.038 176.600 -0.005 0.000 0.883 1228 E CA -1.081 55.210 56.400 -0.181 0.000 0.761 1228 E CB 1.499 30.931 29.700 -0.448 0.000 1.156 1228 E HN 0.156 nan 8.360 nan 0.000 0.412 1229 F N -0.579 119.243 119.950 -0.213 0.000 2.824 1229 F HA 0.756 5.281 4.527 -0.003 0.000 0.330 1229 F C -1.017 174.723 175.800 -0.100 0.000 1.175 1229 F CA -1.106 56.833 58.000 -0.102 0.000 0.974 1229 F CB 1.583 40.566 39.000 -0.029 0.000 1.430 1229 F HN 0.212 nan 8.300 nan 0.000 0.507 1230 T N 0.978 115.597 114.554 0.108 0.000 2.824 1230 T HA 0.447 4.793 4.350 -0.007 0.000 0.282 1230 T C -1.049 173.743 174.700 0.154 0.000 0.993 1230 T CA -0.679 61.414 62.100 -0.013 0.000 0.967 1230 T CB 1.658 70.538 68.868 0.020 0.000 0.960 1230 T HN 0.557 nan 8.240 nan 0.000 0.441 1231 Q N 1.695 121.537 119.800 0.070 0.000 2.301 1231 Q HA 0.576 4.912 4.340 -0.007 0.000 0.267 1231 Q C -0.661 175.442 176.000 0.171 0.000 1.035 1231 Q CA -0.877 55.044 55.803 0.196 0.000 0.856 1231 Q CB 2.448 31.306 28.738 0.199 0.000 1.337 1231 Q HN 0.583 nan 8.270 nan 0.000 0.450 1232 I N 2.033 122.750 120.570 0.245 0.000 2.310 1232 I HA 0.133 4.299 4.170 -0.007 0.000 0.287 1232 I C -0.527 175.741 176.117 0.251 0.000 1.073 1232 I CA -0.494 60.953 61.300 0.245 0.000 1.216 1232 I CB 0.713 38.894 38.000 0.301 0.000 1.415 1232 I HN 0.445 nan 8.210 nan 0.000 0.480 1233 D N 5.394 125.902 120.400 0.179 0.000 2.304 1233 D HA 0.385 5.021 4.640 -0.007 0.000 0.250 1233 D C -0.883 175.498 176.300 0.135 0.000 1.107 1233 D CA 0.184 54.297 54.000 0.188 0.000 0.885 1233 D CB 1.821 42.757 40.800 0.225 0.000 1.192 1233 D HN 0.195 nan 8.370 nan 0.000 0.436 1234 V N 2.649 122.701 119.914 0.230 0.000 2.777 1234 V HA 0.620 4.736 4.120 -0.007 0.000 0.306 1234 V C -1.583 174.767 176.094 0.426 0.000 1.112 1234 V CA -0.540 61.916 62.300 0.261 0.000 0.917 1234 V CB 2.053 33.950 31.823 0.123 0.000 1.018 1234 V HN 0.559 nan 8.190 nan 0.000 0.426 1235 E N 3.394 123.954 120.200 0.601 0.000 2.314 1235 E HA 0.851 5.197 4.350 -0.007 0.000 0.272 1235 E C -0.657 176.209 176.600 0.442 0.000 0.884 1235 E CA -0.006 56.701 56.400 0.512 0.000 0.753 1235 E CB 2.525 32.524 29.700 0.498 0.000 1.213 1235 E HN 1.104 nan 8.360 nan 0.000 0.432 1236 T N -0.382 114.354 114.554 0.303 0.000 2.838 1236 T HA 0.882 5.227 4.350 -0.007 0.000 0.292 1236 T C -0.738 174.020 174.700 0.097 0.000 1.113 1236 T CA -0.654 61.552 62.100 0.176 0.000 1.008 1236 T CB 1.254 70.231 68.868 0.182 0.000 1.259 1236 T HN 0.557 nan 8.240 nan 0.000 0.520 1237 S N -0.488 115.201 115.700 -0.018 0.000 2.556 1237 S HA 0.656 5.122 4.470 -0.007 0.000 0.271 1237 S C -0.407 174.126 174.600 -0.113 0.000 1.135 1237 S CA -1.095 56.988 58.200 -0.195 0.000 0.858 1237 S CB 0.527 63.428 63.200 -0.498 0.000 1.114 1237 S HN 1.139 nan 8.310 nan 0.000 0.468 1238 F N -0.749 119.218 119.950 0.028 0.000 3.018 1238 F HA -0.190 4.333 4.527 -0.006 0.000 0.287 1238 F C 0.043 175.846 175.800 0.005 0.000 0.813 1238 F CA 0.393 58.397 58.000 0.007 0.000 1.209 1238 F CB -1.507 37.495 39.000 0.003 0.000 1.321 1238 F HN 0.558 nan 8.300 nan 0.000 0.477 1239 M N -0.018 119.672 119.600 0.150 0.000 2.378 1239 M HA 0.322 4.798 4.480 -0.007 0.000 0.289 1239 M C 0.239 176.569 176.300 0.050 0.000 1.136 1239 M CA -0.526 54.829 55.300 0.092 0.000 0.917 1239 M CB 2.477 35.130 32.600 0.089 0.000 1.669 1239 M HN 0.104 nan 8.290 nan 0.000 0.461 1240 T N -0.495 114.072 114.554 0.022 0.000 2.849 1240 T HA 0.555 4.901 4.350 -0.007 0.000 0.284 1240 T C 1.219 175.885 174.700 -0.057 0.000 1.004 1240 T CA -0.132 61.963 62.100 -0.009 0.000 1.021 1240 T CB 1.288 70.145 68.868 -0.018 0.000 1.013 1240 T HN 0.735 nan 8.240 nan 0.000 0.527 1241 A N 1.711 124.489 122.820 -0.071 0.000 1.869 1241 A HA -0.026 4.290 4.320 -0.007 0.000 0.218 1241 A C -0.074 177.274 177.584 -0.393 0.000 1.203 1241 A CA 1.775 53.684 52.037 -0.212 0.000 0.638 1241 A CB -2.220 16.717 19.000 -0.104 0.000 0.831 1241 A HN 0.766 nan 8.150 nan 0.000 0.450 1242 P HA -0.181 nan 4.420 nan 0.000 0.216 1242 P C 1.470 178.641 177.300 -0.214 0.000 1.150 1242 P CA 1.670 64.606 63.100 -0.274 0.000 0.843 1242 P CB -0.101 31.506 31.700 -0.156 0.000 0.787 1243 Q N -1.145 118.576 119.800 -0.133 0.000 2.172 1243 Q HA -0.074 4.262 4.340 -0.007 0.000 0.200 1243 Q C 2.030 178.002 176.000 -0.048 0.000 0.964 1243 Q CA 1.023 56.791 55.803 -0.058 0.000 0.855 1243 Q CB -0.499 28.235 28.738 -0.006 0.000 0.918 1243 Q HN 0.134 nan 8.270 nan 0.000 0.444 1244 V N 0.850 120.699 119.914 -0.107 0.000 2.244 1244 V HA -0.268 3.848 4.120 -0.007 0.000 0.244 1244 V C 2.148 178.157 176.094 -0.143 0.000 1.042 1244 V CA 1.787 64.046 62.300 -0.069 0.000 1.006 1244 V CB -0.530 31.235 31.823 -0.095 0.000 0.641 1244 V HN 0.291 nan 8.190 nan 0.000 0.446 1245 R N -0.236 119.998 120.500 -0.443 0.000 2.119 1245 R HA -0.270 4.066 4.340 -0.007 0.000 0.246 1245 R C 2.371 178.645 176.300 -0.043 0.000 1.146 1245 R CA 2.166 57.953 56.100 -0.521 0.000 0.962 1245 R CB -0.420 29.148 30.300 -1.220 0.000 0.863 1245 R HN 0.644 nan 8.270 nan 0.000 0.442 1246 E N 0.247 120.397 120.200 -0.084 0.000 2.012 1246 E HA -0.212 4.134 4.350 -0.007 0.000 0.197 1246 E C 1.984 178.626 176.600 0.070 0.000 1.007 1246 E CA 1.661 58.065 56.400 0.007 0.000 0.816 1246 E CB -0.099 29.599 29.700 -0.002 0.000 0.762 1246 E HN 0.166 nan 8.360 nan 0.000 0.451 1247 V N 0.752 120.725 119.914 0.097 0.000 2.407 1247 V HA -0.249 3.867 4.120 -0.007 0.000 0.248 1247 V C 2.177 178.354 176.094 0.138 0.000 1.055 1247 V CA 1.599 63.980 62.300 0.135 0.000 1.049 1247 V CB -0.232 31.704 31.823 0.189 0.000 0.662 1247 V HN 0.371 nan 8.190 nan 0.000 0.455 1248 M N -0.363 119.340 119.600 0.172 0.000 2.175 1248 M HA -0.122 4.354 4.480 -0.007 0.000 0.264 1248 M C 2.124 178.591 176.300 0.278 0.000 1.063 1248 M CA 2.152 57.625 55.300 0.289 0.000 1.119 1248 M CB -1.224 31.593 32.600 0.361 0.000 1.377 1248 M HN 0.625 nan 8.290 nan 0.000 0.415 1249 E N 0.224 120.542 120.200 0.196 0.000 2.152 1249 E HA -0.064 4.282 4.350 -0.007 0.000 0.192 1249 E C 1.902 178.351 176.600 -0.251 0.000 0.983 1249 E CA 1.013 57.333 56.400 -0.132 0.000 0.818 1249 E CB 0.118 29.689 29.700 -0.215 0.000 0.758 1249 E HN 0.396 nan 8.360 nan 0.000 0.467 1250 A N 0.860 123.622 122.820 -0.096 0.000 2.015 1250 A HA -0.083 4.233 4.320 -0.007 0.000 0.219 1250 A C 2.019 179.433 177.584 -0.283 0.000 1.163 1250 A CA 0.880 52.882 52.037 -0.059 0.000 0.646 1250 A CB -0.441 18.655 19.000 0.161 0.000 0.806 1250 A HN 0.390 nan 8.150 nan 0.000 0.448 1251 L N -0.534 120.417 121.223 -0.454 0.000 1.973 1251 L HA -0.049 4.287 4.340 -0.007 0.000 0.208 1251 L C 2.341 178.915 176.870 -0.494 0.000 1.073 1251 L CA 2.212 56.504 54.840 -0.913 0.000 0.746 1251 L CB -0.808 40.906 42.059 -0.575 0.000 0.891 1251 L HN 0.138 nan 8.230 nan 0.000 0.433 1252 V N 0.118 119.841 119.914 -0.319 0.000 2.469 1252 V HA -0.308 3.807 4.120 -0.007 0.000 0.251 1252 V C 2.872 178.956 176.094 -0.017 0.000 1.064 1252 V CA 2.246 64.427 62.300 -0.199 0.000 1.066 1252 V CB -0.506 31.190 31.823 -0.212 0.000 0.667 1252 V HN 0.662 nan 8.190 nan 0.000 0.461 1253 R N -0.961 119.498 120.500 -0.068 0.000 2.066 1253 R HA -0.210 4.126 4.340 -0.007 0.000 0.232 1253 R C 2.406 178.728 176.300 0.037 0.000 1.131 1253 R CA 2.023 58.130 56.100 0.012 0.000 0.955 1253 R CB -0.545 29.718 30.300 -0.062 0.000 0.851 1253 R HN 0.779 nan 8.270 nan 0.000 0.432 1254 H N 0.433 119.407 119.070 -0.160 0.000 2.352 1254 H HA -0.093 4.458 4.556 -0.008 0.000 0.299 1254 H C 1.841 177.094 175.328 -0.126 0.000 1.097 1254 H CA 2.131 58.087 56.048 -0.154 0.000 1.311 1254 H CB -0.244 29.311 29.762 -0.345 0.000 1.377 1254 H HN 0.177 nan 8.280 nan 0.000 0.504 1255 L N -1.044 120.057 121.223 -0.203 0.000 2.012 1255 L HA -0.237 4.099 4.340 -0.007 0.000 0.210 1255 L C 2.526 179.256 176.870 -0.234 0.000 1.073 1255 L CA 1.345 56.036 54.840 -0.249 0.000 0.748 1255 L CB -0.662 41.300 42.059 -0.161 0.000 0.891 1255 L HN 0.484 nan 8.230 nan 0.000 0.431 1256 W N -0.021 121.078 121.300 -0.335 0.000 2.342 1256 W HA -0.256 4.400 4.660 -0.007 0.000 0.297 1256 W C 2.444 178.796 176.519 -0.278 0.000 1.213 1256 W CA 0.978 58.108 57.345 -0.360 0.000 1.251 1256 W CB -0.121 29.104 29.460 -0.392 0.000 1.136 1256 W HN 0.230 nan 8.180 nan 0.000 0.526 1257 L N 1.083 122.280 121.223 -0.043 0.000 2.056 1257 L HA -0.159 4.177 4.340 -0.007 0.000 0.207 1257 L C 2.168 178.948 176.870 -0.150 0.000 1.078 1257 L CA 2.031 56.828 54.840 -0.071 0.000 0.749 1257 L CB -0.938 41.105 42.059 -0.026 0.000 0.901 1257 L HN -0.225 nan 8.230 nan 0.000 0.433 1258 E N -0.910 119.136 120.200 -0.258 0.000 2.216 1258 E HA -0.029 4.316 4.350 -0.007 0.000 0.192 1258 E C 2.199 178.658 176.600 -0.235 0.000 0.988 1258 E CA 1.066 57.313 56.400 -0.254 0.000 0.834 1258 E CB -0.029 29.450 29.700 -0.369 0.000 0.772 1258 E HN 0.430 nan 8.360 nan 0.000 0.479 1259 V N 0.876 120.609 119.914 -0.301 0.000 2.672 1259 V HA -0.006 4.110 4.120 -0.007 0.000 0.242 1259 V C 1.597 177.509 176.094 -0.302 0.000 1.059 1259 V CA 0.971 63.081 62.300 -0.317 0.000 1.081 1259 V CB 0.055 31.620 31.823 -0.430 0.000 0.752 1259 V HN 0.032 nan 8.190 nan 0.000 0.472 1260 K N -0.155 120.035 120.400 -0.350 0.000 2.374 1260 K HA 0.354 4.670 4.320 -0.007 0.000 0.202 1260 K C 1.439 177.968 176.600 -0.117 0.000 1.040 1260 K CA 0.674 56.809 56.287 -0.253 0.000 1.085 1260 K CB 0.732 33.003 32.500 -0.382 0.000 0.873 1260 K HN 0.453 nan 8.250 nan 0.000 0.539 1261 G N 1.501 110.236 108.800 -0.109 0.000 2.189 1261 G HA2 -0.272 3.684 3.960 -0.007 0.000 0.267 1261 G HA3 -0.272 3.684 3.960 -0.007 0.000 0.267 1261 G C 0.381 175.284 174.900 0.006 0.000 0.975 1261 G CA 0.579 45.654 45.100 -0.042 0.000 0.644 1261 G HN 0.146 nan 8.290 nan 0.000 0.537 1262 V N 0.761 120.683 119.914 0.014 0.000 2.834 1262 V HA 0.523 4.639 4.120 -0.007 0.000 0.301 1262 V C 0.195 176.347 176.094 0.097 0.000 1.066 1262 V CA -0.034 62.325 62.300 0.098 0.000 1.052 1262 V CB 1.837 33.760 31.823 0.167 0.000 1.021 1262 V HN 0.331 nan 8.190 nan 0.000 0.480 1263 D N 2.561 123.024 120.400 0.104 0.000 2.469 1263 D HA 0.309 4.944 4.640 -0.007 0.000 0.251 1263 D C 0.469 176.821 176.300 0.087 0.000 1.173 1263 D CA -0.355 53.698 54.000 0.088 0.000 0.882 1263 D CB 1.559 42.404 40.800 0.076 0.000 1.129 1263 D HN 0.379 nan 8.370 nan 0.000 0.549 1264 L N 2.777 124.043 121.223 0.071 0.000 2.478 1264 L HA 0.214 4.550 4.340 -0.007 0.000 0.223 1264 L C 1.606 178.557 176.870 0.135 0.000 1.140 1264 L CA 0.446 55.313 54.840 0.044 0.000 0.842 1264 L CB -0.711 41.317 42.059 -0.050 0.000 0.953 1264 L HN 0.619 nan 8.230 nan 0.000 0.452 1265 G N 0.645 109.530 108.800 0.142 0.000 2.749 1265 G HA2 -0.255 3.701 3.960 -0.007 0.000 0.242 1265 G HA3 -0.255 3.701 3.960 -0.007 0.000 0.242 1265 G C -0.667 174.366 174.900 0.222 0.000 1.364 1265 G CA -0.469 44.714 45.100 0.138 0.000 0.888 1265 G HN 0.264 nan 8.290 nan 0.000 0.566 1266 D N 0.071 120.574 120.400 0.172 0.000 2.443 1266 D HA 0.354 4.990 4.640 -0.007 0.000 0.239 1266 D C 0.617 177.155 176.300 0.396 0.000 1.136 1266 D CA 0.558 54.675 54.000 0.194 0.000 0.879 1266 D CB 0.118 40.993 40.800 0.125 0.000 1.195 1266 D HN 0.355 nan 8.370 nan 0.000 0.443 1267 F N 2.864 122.841 119.950 0.046 0.000 2.424 1267 F HA 0.210 4.732 4.527 -0.008 0.000 0.356 1267 F C -1.228 174.634 175.800 0.103 0.000 1.110 1267 F CA -2.190 55.822 58.000 0.019 0.000 1.161 1267 F CB 0.938 39.891 39.000 -0.078 0.000 1.115 1267 F HN 0.016 nan 8.300 nan 0.000 0.507 1268 P HA 0.017 nan 4.420 nan 0.000 0.267 1268 P C -0.745 176.701 177.300 0.243 0.000 1.200 1268 P CA -0.009 63.197 63.100 0.176 0.000 0.772 1268 P CB 1.511 33.268 31.700 0.095 0.000 0.855 1269 V N 4.214 124.257 119.914 0.215 0.000 2.495 1269 V HA 0.553 4.669 4.120 -0.007 0.000 0.298 1269 V C 0.297 176.485 176.094 0.157 0.000 1.031 1269 V CA -0.474 61.967 62.300 0.234 0.000 0.871 1269 V CB 1.436 33.364 31.823 0.175 0.000 0.988 1269 V HN 0.652 nan 8.190 nan 0.000 0.432 1270 M N 4.233 123.930 119.600 0.162 0.000 2.501 1270 M HA 0.583 5.058 4.480 -0.007 0.000 0.293 1270 M C -0.167 176.182 176.300 0.081 0.000 1.192 1270 M CA -0.304 55.060 55.300 0.106 0.000 0.886 1270 M CB 2.589 35.257 32.600 0.113 0.000 1.710 1270 M HN 0.818 nan 8.290 nan 0.000 0.457 1271 T N 0.343 114.918 114.554 0.035 0.000 2.882 1271 T HA 0.255 4.601 4.350 -0.007 0.000 0.287 1271 T C 0.698 175.371 174.700 -0.045 0.000 1.014 1271 T CA -0.516 61.590 62.100 0.010 0.000 1.049 1271 T CB 0.729 69.604 68.868 0.012 0.000 1.001 1271 T HN 0.644 nan 8.240 nan 0.000 0.525 1272 F N 2.023 121.797 119.950 -0.293 0.000 2.091 1272 F HA -0.062 4.461 4.527 -0.007 0.000 0.299 1272 F C 2.465 178.137 175.800 -0.213 0.000 1.103 1272 F CA 2.005 59.747 58.000 -0.429 0.000 1.228 1272 F CB -1.053 37.594 39.000 -0.588 0.000 0.984 1272 F HN 0.772 nan 8.300 nan 0.000 0.477 1273 A N 0.085 122.798 122.820 -0.179 0.000 1.858 1273 A HA -0.203 4.113 4.320 -0.007 0.000 0.216 1273 A C 2.295 179.741 177.584 -0.230 0.000 1.190 1273 A CA 1.662 53.556 52.037 -0.239 0.000 0.617 1273 A CB -1.133 17.827 19.000 -0.066 0.000 0.827 1273 A HN 0.507 nan 8.150 nan 0.000 0.443 1274 E N -0.175 119.941 120.200 -0.141 0.000 2.035 1274 E HA -0.270 4.075 4.350 -0.007 0.000 0.204 1274 E C 2.317 178.822 176.600 -0.158 0.000 1.025 1274 E CA 1.594 57.922 56.400 -0.121 0.000 0.835 1274 E CB -0.356 29.310 29.700 -0.057 0.000 0.764 1274 E HN 0.508 nan 8.360 nan 0.000 0.457 1275 A N 0.691 123.443 122.820 -0.113 0.000 1.978 1275 A HA -0.233 4.083 4.320 -0.007 0.000 0.220 1275 A C 1.988 179.496 177.584 -0.126 0.000 1.170 1275 A CA 1.972 54.002 52.037 -0.011 0.000 0.636 1275 A CB -0.466 18.540 19.000 0.010 0.000 0.810 1275 A HN 0.219 nan 8.150 nan 0.000 0.448 1276 E N -0.408 119.596 120.200 -0.326 0.000 2.152 1276 E HA -0.062 4.284 4.350 -0.007 0.000 0.192 1276 E C 2.258 178.712 176.600 -0.243 0.000 0.983 1276 E CA 0.906 57.095 56.400 -0.352 0.000 0.818 1276 E CB -0.077 29.270 29.700 -0.590 0.000 0.758 1276 E HN 0.614 nan 8.360 nan 0.000 0.467 1277 R N -0.248 120.108 120.500 -0.241 0.000 2.056 1277 R HA 0.061 4.397 4.340 -0.007 0.000 0.227 1277 R C 2.387 178.528 176.300 -0.266 0.000 1.149 1277 R CA 1.304 57.277 56.100 -0.211 0.000 0.937 1277 R CB -0.239 29.950 30.300 -0.185 0.000 0.835 1277 R HN 0.067 nan 8.270 nan 0.000 0.430 1278 R N -0.432 119.824 120.500 -0.407 0.000 2.120 1278 R HA -0.126 4.210 4.340 -0.007 0.000 0.234 1278 R C 1.211 177.030 176.300 -0.802 0.000 1.123 1278 R CA 1.449 57.129 56.100 -0.699 0.000 0.975 1278 R CB 0.036 29.683 30.300 -1.089 0.000 0.866 1278 R HN 0.426 nan 8.270 nan 0.000 0.446 1279 Y N -2.047 118.187 120.300 -0.111 0.000 2.425 1279 Y HA 0.286 4.832 4.550 -0.006 0.000 0.261 1279 Y C 1.321 177.147 175.900 -0.123 0.000 1.084 1279 Y CA 0.010 58.045 58.100 -0.109 0.000 1.248 1279 Y CB 1.013 39.414 38.460 -0.099 0.000 1.270 1279 Y HN 0.150 nan 8.280 nan 0.000 0.524 1280 G N 1.438 110.216 108.800 -0.036 0.000 2.198 1280 G HA2 -0.238 3.718 3.960 -0.007 0.000 0.260 1280 G HA3 -0.238 3.718 3.960 -0.007 0.000 0.260 1280 G C -0.042 174.829 174.900 -0.049 0.000 1.025 1280 G CA 0.670 45.726 45.100 -0.073 0.000 0.769 1280 G HN 0.389 nan 8.290 nan 0.000 0.507 1281 S N -0.742 114.946 115.700 -0.021 0.000 2.533 1281 S HA 0.512 4.978 4.470 -0.007 0.000 0.271 1281 S C 0.315 174.914 174.600 -0.001 0.000 1.143 1281 S CA 0.358 58.557 58.200 -0.003 0.000 0.891 1281 S CB 1.300 64.501 63.200 0.002 0.000 1.105 1281 S HN 0.475 nan 8.310 nan 0.000 0.468 1282 D N 2.499 122.941 120.400 0.070 0.000 2.328 1282 D HA 0.106 4.741 4.640 -0.007 0.000 0.226 1282 D C 0.335 176.754 176.300 0.199 0.000 1.066 1282 D CA 0.042 54.140 54.000 0.163 0.000 0.861 1282 D CB -0.221 40.874 40.800 0.493 0.000 0.912 1282 D HN 0.630 nan 8.370 nan 0.000 0.521 1283 K N -0.306 120.154 120.400 0.100 0.000 3.306 1283 K HA 0.278 4.594 4.320 -0.007 0.000 0.169 1283 K C -3.055 173.513 176.600 -0.053 0.000 1.110 1283 K CA -1.283 55.038 56.287 0.056 0.000 0.783 1283 K CB 1.016 33.559 32.500 0.073 0.000 0.958 1283 K HN -0.143 nan 8.250 nan 0.000 0.581 1284 P HA -0.055 nan 4.420 nan 0.000 0.266 1284 P C -0.836 176.259 177.300 -0.342 0.000 1.195 1284 P CA 0.202 63.105 63.100 -0.329 0.000 0.768 1284 P CB 0.794 32.077 31.700 -0.695 0.000 0.838 1285 D N 3.218 123.421 120.400 -0.328 0.000 2.479 1285 D HA 0.101 4.737 4.640 -0.007 0.000 0.218 1285 D C 0.697 176.819 176.300 -0.297 0.000 1.131 1285 D CA -0.453 53.397 54.000 -0.250 0.000 0.916 1285 D CB -0.079 40.608 40.800 -0.188 0.000 1.022 1285 D HN 0.004 nan 8.370 nan 0.000 0.515 1286 L N 3.540 124.585 121.223 -0.298 0.000 2.711 1286 L HA 0.096 4.432 4.340 -0.007 0.000 0.242 1286 L C 2.103 178.881 176.870 -0.155 0.000 1.153 1286 L CA 0.622 55.306 54.840 -0.259 0.000 0.898 1286 L CB -0.574 41.352 42.059 -0.221 0.000 1.044 1286 L HN 0.301 nan 8.230 nan 0.000 0.437 1287 R N -1.029 119.385 120.500 -0.144 0.000 2.140 1287 R HA 0.045 4.381 4.340 -0.007 0.000 0.213 1287 R C 0.882 177.126 176.300 -0.094 0.000 1.059 1287 R CA 0.001 56.032 56.100 -0.115 0.000 1.000 1287 R CB -0.058 30.165 30.300 -0.128 0.000 0.910 1287 R HN 0.242 nan 8.270 nan 0.000 0.455 1288 N N 2.660 121.299 118.700 -0.102 0.000 2.420 1288 N HA 0.004 4.740 4.740 -0.007 0.000 0.262 1288 N C -1.768 173.717 175.510 -0.041 0.000 1.144 1288 N CA -1.348 51.659 53.050 -0.072 0.000 0.952 1288 N CB 1.326 39.764 38.487 -0.082 0.000 1.081 1288 N HN 0.010 nan 8.380 nan 0.000 0.480 1289 P HA -0.013 nan 4.420 nan 0.000 0.245 1289 P C 0.328 177.656 177.300 0.047 0.000 1.212 1289 P CA 0.468 63.577 63.100 0.015 0.000 0.774 1289 P CB 0.362 32.063 31.700 0.002 0.000 0.999 1290 M N 0.404 120.030 119.600 0.042 0.000 2.242 1290 M HA 0.166 4.642 4.480 -0.007 0.000 0.344 1290 M C 0.593 176.951 176.300 0.097 0.000 1.140 1290 M CA 0.715 56.043 55.300 0.047 0.000 1.160 1290 M CB 0.718 33.330 32.600 0.020 0.000 1.491 1290 M HN -0.117 nan 8.290 nan 0.000 0.459 1291 E N 1.864 122.078 120.200 0.024 0.000 2.359 1291 E HA 0.601 4.947 4.350 -0.007 0.000 0.266 1291 E C -1.448 175.096 176.600 -0.093 0.000 0.920 1291 E CA -0.876 55.487 56.400 -0.061 0.000 0.788 1291 E CB 2.400 32.017 29.700 -0.138 0.000 1.279 1291 E HN 0.531 nan 8.360 nan 0.000 0.438 1292 L N 1.320 122.450 121.223 -0.155 0.000 2.282 1292 L HA 0.383 4.719 4.340 -0.007 0.000 0.288 1292 L C -0.231 176.560 176.870 -0.132 0.000 1.033 1292 L CA -0.416 54.349 54.840 -0.126 0.000 0.807 1292 L CB 1.509 43.492 42.059 -0.127 0.000 1.209 1292 L HN 0.406 nan 8.230 nan 0.000 0.423 1293 T N 1.337 115.831 114.554 -0.100 0.000 2.771 1293 T HA 0.215 4.561 4.350 -0.007 0.000 0.281 1293 T C -0.477 174.188 174.700 -0.058 0.000 0.982 1293 T CA -0.575 61.476 62.100 -0.081 0.000 0.978 1293 T CB 1.123 69.953 68.868 -0.063 0.000 0.930 1293 T HN 0.352 nan 8.240 nan 0.000 0.447 1294 D N 2.354 122.719 120.400 -0.059 0.000 2.308 1294 D HA 0.303 4.939 4.640 -0.007 0.000 0.251 1294 D C 0.732 177.017 176.300 -0.024 0.000 1.127 1294 D CA -0.069 53.904 54.000 -0.045 0.000 0.876 1294 D CB 1.340 42.106 40.800 -0.056 0.000 1.176 1294 D HN 0.410 nan 8.370 nan 0.000 0.446 1295 V N -0.084 119.821 119.914 -0.016 0.000 3.157 1295 V HA 0.413 4.529 4.120 -0.007 0.000 0.361 1295 V C 1.087 177.157 176.094 -0.040 0.000 1.421 1295 V CA -0.061 62.236 62.300 -0.005 0.000 1.213 1295 V CB 0.322 32.176 31.823 0.052 0.000 1.164 1295 V HN 0.414 nan 8.190 nan 0.000 0.559 1296 A N 1.555 124.345 122.820 -0.050 0.000 2.016 1296 A HA -0.059 4.257 4.320 -0.007 0.000 0.217 1296 A C 1.854 179.421 177.584 -0.029 0.000 1.162 1296 A CA 1.549 53.552 52.037 -0.057 0.000 0.662 1296 A CB -0.350 18.617 19.000 -0.054 0.000 0.812 1296 A HN 0.774 nan 8.150 nan 0.000 0.450 1297 D N -0.655 119.733 120.400 -0.020 0.000 2.363 1297 D HA -0.031 4.605 4.640 -0.007 0.000 0.220 1297 D C 1.083 177.383 176.300 0.000 0.000 0.994 1297 D CA 0.493 54.488 54.000 -0.009 0.000 0.890 1297 D CB -0.061 40.733 40.800 -0.009 0.000 0.906 1297 D HN 0.329 nan 8.370 nan 0.000 0.530 1298 L N -0.388 120.836 121.223 0.001 0.000 2.616 1298 L HA 0.248 4.584 4.340 -0.007 0.000 0.229 1298 L C 1.516 178.403 176.870 0.028 0.000 1.110 1298 L CA 0.466 55.316 54.840 0.015 0.000 0.884 1298 L CB 0.219 42.291 42.059 0.021 0.000 1.115 1298 L HN -0.005 nan 8.230 nan 0.000 0.481 1299 L N -1.050 120.186 121.223 0.021 0.000 3.168 1299 L HA 0.157 4.493 4.340 -0.007 0.000 0.277 1299 L C 1.782 178.682 176.870 0.051 0.000 1.245 1299 L CA -0.056 54.819 54.840 0.057 0.000 1.035 1299 L CB 0.053 42.143 42.059 0.053 0.000 1.399 1299 L HN 0.148 nan 8.230 nan 0.000 0.580 1300 K N -0.631 119.786 120.400 0.028 0.000 2.155 1300 K HA 0.021 4.337 4.320 -0.007 0.000 0.203 1300 K C 1.390 178.005 176.600 0.025 0.000 1.052 1300 K CA 1.338 57.637 56.287 0.019 0.000 0.948 1300 K CB -0.040 32.466 32.500 0.009 0.000 0.728 1300 K HN 0.056 nan 8.250 nan 0.000 0.448 1301 S N 1.003 116.723 115.700 0.032 0.000 2.631 1301 S HA 0.121 4.587 4.470 -0.007 0.000 0.217 1301 S C 0.119 174.747 174.600 0.046 0.000 0.958 1301 S CA -0.397 57.822 58.200 0.032 0.000 0.920 1301 S CB 0.185 63.402 63.200 0.028 0.000 0.776 1301 S HN 0.083 nan 8.310 nan 0.000 0.517 1302 V N 1.984 121.938 119.914 0.067 0.000 2.649 1302 V HA 0.179 4.295 4.120 -0.007 0.000 0.292 1302 V C 1.276 177.410 176.094 0.068 0.000 1.055 1302 V CA -0.144 62.214 62.300 0.097 0.000 1.023 1302 V CB 1.471 33.399 31.823 0.176 0.000 0.992 1302 V HN 0.283 nan 8.190 nan 0.000 0.480 1303 E N 2.701 122.943 120.200 0.069 0.000 2.447 1303 E HA 0.062 4.408 4.350 -0.007 0.000 0.195 1303 E C 0.466 177.078 176.600 0.020 0.000 1.028 1303 E CA -0.182 56.238 56.400 0.032 0.000 0.876 1303 E CB 0.259 29.976 29.700 0.028 0.000 0.885 1303 E HN 0.598 nan 8.360 nan 0.000 0.500 1304 F N 0.743 120.599 119.950 -0.158 0.000 2.471 1304 F HA 0.363 4.886 4.527 -0.007 0.000 0.365 1304 F C 0.989 176.642 175.800 -0.246 0.000 1.095 1304 F CA -0.330 57.475 58.000 -0.323 0.000 1.174 1304 F CB 0.311 39.018 39.000 -0.489 0.000 1.105 1304 F HN -0.002 nan 8.300 nan 0.000 0.535 1305 A N 6.084 128.576 122.820 -0.547 0.000 1.970 1305 A HA -0.343 3.973 4.320 -0.007 0.000 0.227 1305 A C 2.453 179.639 177.584 -0.664 0.000 1.568 1305 A CA 3.671 55.397 52.037 -0.520 0.000 0.813 1305 A CB -1.726 17.059 19.000 -0.358 0.000 0.833 1305 A HN 1.637 nan 8.150 nan 0.000 0.492 1306 V N -1.779 117.609 119.914 -0.878 0.000 2.311 1306 V HA -0.350 3.766 4.120 -0.007 0.000 0.259 1306 V C 2.150 178.115 176.094 -0.216 0.000 1.086 1306 V CA 2.910 64.894 62.300 -0.527 0.000 1.078 1306 V CB -0.937 30.629 31.823 -0.428 0.000 0.668 1306 V HN 0.582 nan 8.190 nan 0.000 0.452 1307 F N 0.219 119.762 119.950 -0.678 0.000 2.262 1307 F HA 0.226 4.749 4.527 -0.007 0.000 0.292 1307 F C 2.822 178.496 175.800 -0.209 0.000 1.081 1307 F CA 0.582 58.411 58.000 -0.284 0.000 1.355 1307 F CB -0.510 38.420 39.000 -0.116 0.000 1.069 1307 F HN 0.347 nan 8.300 nan 0.000 0.506 1308 A N 1.153 123.940 122.820 -0.054 0.000 1.859 1308 A HA -0.214 4.101 4.320 -0.007 0.000 0.218 1308 A C 2.383 179.935 177.584 -0.053 0.000 1.209 1308 A CA 2.277 54.282 52.037 -0.052 0.000 0.639 1308 A CB -1.664 17.275 19.000 -0.102 0.000 0.835 1308 A HN 0.408 nan 8.150 nan 0.000 0.450 1309 G N -0.138 108.612 108.800 -0.084 0.000 2.639 1309 G HA2 -0.205 3.751 3.960 -0.007 0.000 0.216 1309 G HA3 -0.205 3.751 3.960 -0.007 0.000 0.216 1309 G C -0.224 174.652 174.900 -0.040 0.000 1.267 1309 G CA 1.427 46.491 45.100 -0.061 0.000 0.801 1309 G HN 0.482 nan 8.290 nan 0.000 0.592 1310 P HA -0.097 nan 4.420 nan 0.000 0.218 1310 P C 2.008 179.290 177.300 -0.031 0.000 1.146 1310 P CA 1.924 65.008 63.100 -0.027 0.000 0.820 1310 P CB -0.103 31.585 31.700 -0.021 0.000 0.778 1311 A N -0.183 122.619 122.820 -0.030 0.000 1.832 1311 A HA -0.192 4.124 4.320 -0.007 0.000 0.214 1311 A C 2.158 179.730 177.584 -0.021 0.000 1.200 1311 A CA 1.680 53.701 52.037 -0.028 0.000 0.610 1311 A CB -1.381 17.612 19.000 -0.012 0.000 0.842 1311 A HN 0.133 nan 8.150 nan 0.000 0.444 1312 N N 0.417 119.107 118.700 -0.017 0.000 2.309 1312 N HA -0.100 4.636 4.740 -0.007 0.000 0.182 1312 N C -0.040 175.461 175.510 -0.015 0.000 1.018 1312 N CA 0.892 53.934 53.050 -0.014 0.000 0.876 1312 N CB -0.305 38.174 38.487 -0.013 0.000 0.972 1312 N HN 0.573 nan 8.380 nan 0.000 0.434 1313 D N 2.116 122.506 120.400 -0.017 0.000 2.371 1313 D HA 0.043 4.679 4.640 -0.007 0.000 0.256 1313 D C -1.344 174.948 176.300 -0.013 0.000 1.193 1313 D CA -1.782 52.209 54.000 -0.014 0.000 0.881 1313 D CB 1.224 42.014 40.800 -0.016 0.000 1.143 1313 D HN 0.070 nan 8.370 nan 0.000 0.473 1314 P HA -0.163 nan 4.420 nan 0.000 0.225 1314 P C 0.890 178.187 177.300 -0.005 0.000 1.148 1314 P CA 0.819 63.914 63.100 -0.007 0.000 0.779 1314 P CB 0.243 31.940 31.700 -0.004 0.000 0.780 1315 K N 0.189 120.586 120.400 -0.004 0.000 2.418 1315 K HA 0.116 4.432 4.320 -0.007 0.000 0.195 1315 K C 0.991 177.589 176.600 -0.003 0.000 1.035 1315 K CA 0.327 56.614 56.287 -0.000 0.000 1.003 1315 K CB 0.016 32.516 32.500 0.001 0.000 0.793 1315 K HN 0.079 nan 8.250 nan 0.000 0.494 1316 G N 0.467 109.261 108.800 -0.010 0.000 3.108 1316 G HA2 0.581 4.537 3.960 -0.007 0.000 0.268 1316 G HA3 0.581 4.537 3.960 -0.007 0.000 0.268 1316 G C -1.356 173.531 174.900 -0.022 0.000 1.361 1316 G CA -0.957 44.135 45.100 -0.014 0.000 1.047 1316 G HN 0.298 nan 8.290 nan 0.000 0.540 1317 R N -2.509 117.975 120.500 -0.027 0.000 2.712 1317 R HA 0.599 4.934 4.340 -0.007 0.000 0.272 1317 R C -2.289 173.983 176.300 -0.045 0.000 1.032 1317 R CA -0.827 55.250 56.100 -0.038 0.000 0.874 1317 R CB 1.550 31.826 30.300 -0.041 0.000 1.256 1317 R HN 0.436 nan 8.270 nan 0.000 0.468 1318 V N 1.124 120.999 119.914 -0.065 0.000 2.357 1318 V HA 0.648 4.764 4.120 -0.007 0.000 0.281 1318 V C -0.419 175.647 176.094 -0.046 0.000 1.015 1318 V CA -0.468 61.775 62.300 -0.095 0.000 0.827 1318 V CB 1.070 32.753 31.823 -0.233 0.000 1.018 1318 V HN 0.901 nan 8.190 nan 0.000 0.432 1319 A N 3.861 126.677 122.820 -0.006 0.000 2.317 1319 A HA 0.937 5.253 4.320 -0.007 0.000 0.327 1319 A C 0.153 177.746 177.584 0.015 0.000 1.178 1319 A CA -0.297 51.736 52.037 -0.007 0.000 0.817 1319 A CB 1.332 20.306 19.000 -0.042 0.000 1.189 1319 A HN 1.221 nan 8.150 nan 0.000 0.489 1320 A N 1.988 124.777 122.820 -0.051 0.000 2.288 1320 A HA 0.607 4.923 4.320 -0.007 0.000 0.320 1320 A C -0.715 176.756 177.584 -0.189 0.000 1.217 1320 A CA -0.441 51.444 52.037 -0.253 0.000 0.840 1320 A CB 0.489 19.290 19.000 -0.332 0.000 1.179 1320 A HN 1.350 nan 8.150 nan 0.000 0.504 1321 L N 3.039 124.164 121.223 -0.163 0.000 2.264 1321 L HA 0.509 4.845 4.340 -0.007 0.000 0.289 1321 L C 0.354 177.195 176.870 -0.048 0.000 1.044 1321 L CA -0.207 54.597 54.840 -0.059 0.000 0.807 1321 L CB 0.925 42.993 42.059 0.014 0.000 1.192 1321 L HN 0.676 nan 8.230 nan 0.000 0.425 1322 R N 5.489 125.964 120.500 -0.042 0.000 2.278 1322 R HA 0.327 4.663 4.340 -0.007 0.000 0.322 1322 R C -1.651 174.657 176.300 0.014 0.000 1.058 1322 R CA -0.363 55.718 56.100 -0.033 0.000 0.991 1322 R CB 0.896 31.168 30.300 -0.047 0.000 1.140 1322 R HN 0.553 nan 8.270 nan 0.000 0.518 1323 V N 6.920 126.869 119.914 0.058 0.000 2.334 1323 V HA 0.401 4.517 4.120 -0.007 0.000 0.267 1323 V C -2.383 173.743 176.094 0.053 0.000 1.040 1323 V CA -2.454 59.894 62.300 0.080 0.000 0.866 1323 V CB 1.226 33.156 31.823 0.177 0.000 1.019 1323 V HN 0.618 nan 8.190 nan 0.000 0.468 1324 P HA 0.273 nan 4.420 nan 0.000 0.264 1324 P C 1.010 178.326 177.300 0.027 0.000 1.183 1324 P CA 1.744 64.856 63.100 0.020 0.000 0.763 1324 P CB 0.806 32.513 31.700 0.012 0.000 0.807 1325 G N 3.085 111.896 108.800 0.019 0.000 3.909 1325 G HA2 -0.360 3.596 3.960 -0.007 0.000 0.218 1325 G HA3 -0.360 3.596 3.960 -0.007 0.000 0.218 1325 G C 1.513 176.428 174.900 0.025 0.000 1.404 1325 G CA 0.829 45.941 45.100 0.019 0.000 0.905 1325 G HN 0.806 nan 8.290 nan 0.000 0.589 1326 G N 1.450 110.282 108.800 0.054 0.000 3.404 1326 G HA2 -0.088 3.868 3.960 -0.007 0.000 0.260 1326 G HA3 -0.088 3.868 3.960 -0.007 0.000 0.260 1326 G C 2.143 177.051 174.900 0.013 0.000 1.060 1326 G CA 3.596 48.741 45.100 0.075 0.000 0.752 1326 G HN 2.184 nan 8.290 nan 0.000 0.717 1327 A N -0.118 122.694 122.820 -0.013 0.000 2.084 1327 A HA 0.078 4.394 4.320 -0.007 0.000 0.221 1327 A C 2.613 180.181 177.584 -0.027 0.000 1.161 1327 A CA 2.320 54.341 52.037 -0.027 0.000 0.653 1327 A CB -0.473 18.520 19.000 -0.011 0.000 0.802 1327 A HN 0.521 nan 8.150 nan 0.000 0.457 1328 S N -0.605 115.087 115.700 -0.014 0.000 2.474 1328 S HA 0.042 4.508 4.470 -0.007 0.000 0.235 1328 S C 0.413 174.992 174.600 -0.034 0.000 0.997 1328 S CA 0.064 58.253 58.200 -0.018 0.000 0.949 1328 S CB -0.461 62.733 63.200 -0.009 0.000 0.766 1328 S HN 0.377 nan 8.310 nan 0.000 0.517 1329 L N 3.587 124.788 121.223 -0.037 0.000 2.601 1329 L HA 0.047 4.383 4.340 -0.007 0.000 0.277 1329 L C 1.345 178.154 176.870 -0.102 0.000 1.219 1329 L CA 0.330 55.129 54.840 -0.068 0.000 0.915 1329 L CB -0.871 41.167 42.059 -0.036 0.000 1.160 1329 L HN 0.210 nan 8.230 nan 0.000 0.494 1330 T N 0.592 115.084 114.554 -0.103 0.000 2.855 1330 T HA 0.093 4.439 4.350 -0.007 0.000 0.314 1330 T C 1.354 175.988 174.700 -0.110 0.000 1.077 1330 T CA -0.308 61.738 62.100 -0.090 0.000 1.095 1330 T CB 0.437 69.257 68.868 -0.080 0.000 0.987 1330 T HN 0.586 nan 8.240 nan 0.000 0.546 1331 R N 0.339 120.791 120.500 -0.079 0.000 2.241 1331 R HA -0.048 4.287 4.340 -0.007 0.000 0.224 1331 R C 2.148 178.413 176.300 -0.059 0.000 1.101 1331 R CA 1.205 57.264 56.100 -0.068 0.000 0.995 1331 R CB -0.130 30.161 30.300 -0.015 0.000 0.870 1331 R HN 0.624 nan 8.270 nan 0.000 0.463 1332 K N 0.701 121.058 120.400 -0.071 0.000 2.128 1332 K HA -0.032 4.284 4.320 -0.007 0.000 0.202 1332 K C 1.635 178.157 176.600 -0.130 0.000 1.050 1332 K CA 1.296 57.542 56.287 -0.069 0.000 0.966 1332 K CB 0.182 32.645 32.500 -0.061 0.000 0.759 1332 K HN 0.072 nan 8.250 nan 0.000 0.454 1333 Q N -0.106 119.578 119.800 -0.194 0.000 2.297 1333 Q HA -0.115 4.221 4.340 -0.007 0.000 0.208 1333 Q C 1.621 177.357 176.000 -0.440 0.000 0.981 1333 Q CA 1.207 56.785 55.803 -0.376 0.000 0.876 1333 Q CB -0.124 28.407 28.738 -0.347 0.000 0.921 1333 Q HN 0.243 nan 8.270 nan 0.000 0.446 1334 I N 0.811 121.269 120.570 -0.187 0.000 2.235 1334 I HA -0.206 3.960 4.170 -0.007 0.000 0.241 1334 I C 1.612 177.767 176.117 0.064 0.000 1.085 1334 I CA 1.263 62.554 61.300 -0.014 0.000 1.378 1334 I CB -0.332 37.600 38.000 -0.113 0.000 1.076 1334 I HN 0.030 nan 8.210 nan 0.000 0.415 1335 D N 0.735 121.151 120.400 0.027 0.000 2.133 1335 D HA -0.251 4.385 4.640 -0.007 0.000 0.192 1335 D C 2.064 178.413 176.300 0.081 0.000 1.001 1335 D CA 1.772 55.812 54.000 0.068 0.000 0.844 1335 D CB -0.411 40.412 40.800 0.038 0.000 0.944 1335 D HN 0.609 nan 8.370 nan 0.000 0.447 1336 E N 0.061 120.272 120.200 0.018 0.000 2.017 1336 E HA -0.230 4.116 4.350 -0.007 0.000 0.193 1336 E C 2.223 178.954 176.600 0.218 0.000 0.997 1336 E CA 1.030 57.467 56.400 0.062 0.000 0.804 1336 E CB -1.128 28.550 29.700 -0.037 0.000 0.757 1336 E HN 0.471 nan 8.360 nan 0.000 0.448 1337 Y N 1.295 121.621 120.300 0.043 0.000 2.228 1337 Y HA -0.208 4.338 4.550 -0.007 0.000 0.285 1337 Y C 2.738 178.711 175.900 0.120 0.000 1.178 1337 Y CA 0.239 58.369 58.100 0.049 0.000 1.202 1337 Y CB -0.307 38.084 38.460 -0.114 0.000 0.974 1337 Y HN 0.317 nan 8.280 nan 0.000 0.527 1338 G N 0.012 108.988 108.800 0.293 0.000 2.408 1338 G HA2 -0.229 3.727 3.960 -0.007 0.000 0.217 1338 G HA3 -0.229 3.727 3.960 -0.007 0.000 0.217 1338 G C 1.413 176.438 174.900 0.207 0.000 1.150 1338 G CA 0.805 46.049 45.100 0.240 0.000 0.776 1338 G HN 0.337 nan 8.290 nan 0.000 0.542 1339 N N -0.154 118.673 118.700 0.211 0.000 2.354 1339 N HA -0.007 4.729 4.740 -0.007 0.000 0.179 1339 N C 1.719 177.380 175.510 0.253 0.000 1.021 1339 N CA 0.235 53.398 53.050 0.188 0.000 0.887 1339 N CB -0.242 38.337 38.487 0.154 0.000 0.974 1339 N HN 0.449 nan 8.380 nan 0.000 0.437 1340 F N 2.561 122.588 119.950 0.128 0.000 2.010 1340 F HA -0.250 4.273 4.527 -0.007 0.000 0.296 1340 F C 2.349 178.273 175.800 0.208 0.000 1.146 1340 F CA 1.511 59.599 58.000 0.147 0.000 1.181 1340 F CB -0.267 38.797 39.000 0.105 0.000 0.965 1340 F HN -0.129 nan 8.300 nan 0.000 0.480 1341 V N -1.167 118.759 119.914 0.020 0.000 2.794 1341 V HA -0.300 3.816 4.120 -0.007 0.000 0.260 1341 V C 1.980 178.104 176.094 0.051 0.000 1.103 1341 V CA 2.085 64.332 62.300 -0.088 0.000 1.125 1341 V CB -1.185 30.603 31.823 -0.059 0.000 0.702 1341 V HN 0.414 nan 8.190 nan 0.000 0.494 1342 K N 0.822 121.270 120.400 0.081 0.000 2.097 1342 K HA 0.023 4.339 4.320 -0.007 0.000 0.205 1342 K C 2.135 178.744 176.600 0.015 0.000 1.050 1342 K CA 1.878 58.203 56.287 0.064 0.000 0.938 1342 K CB -0.372 32.175 32.500 0.078 0.000 0.718 1342 K HN 0.806 nan 8.250 nan 0.000 0.442 1343 I N -1.939 118.615 120.570 -0.027 0.000 2.756 1343 I HA -0.197 3.969 4.170 -0.007 0.000 0.262 1343 I C 0.671 176.585 176.117 -0.338 0.000 1.225 1343 I CA 1.307 62.501 61.300 -0.178 0.000 1.472 1343 I CB -0.169 37.687 38.000 -0.241 0.000 1.094 1343 I HN 0.042 nan 8.210 nan 0.000 0.454 1344 Y N 2.001 122.210 120.300 -0.152 0.000 2.493 1344 Y HA 0.450 4.995 4.550 -0.007 0.000 0.275 1344 Y C 1.785 177.633 175.900 -0.087 0.000 1.183 1344 Y CA 0.220 58.233 58.100 -0.145 0.000 1.258 1344 Y CB 0.444 38.764 38.460 -0.233 0.000 1.108 1344 Y HN 0.383 nan 8.280 nan 0.000 0.521 1345 G N -0.107 108.714 108.800 0.035 0.000 2.157 1345 G HA2 -0.209 3.747 3.960 -0.007 0.000 0.239 1345 G HA3 -0.209 3.747 3.960 -0.007 0.000 0.239 1345 G C 0.326 175.250 174.900 0.040 0.000 0.982 1345 G CA -0.122 44.996 45.100 0.030 0.000 0.650 1345 G HN 0.600 nan 8.290 nan 0.000 0.527 1346 A N 0.057 122.908 122.820 0.052 0.000 2.388 1346 A HA 0.709 5.025 4.320 -0.007 0.000 0.257 1346 A C 1.345 178.969 177.584 0.067 0.000 1.095 1346 A CA 0.807 52.879 52.037 0.057 0.000 0.791 1346 A CB 0.429 19.464 19.000 0.058 0.000 1.029 1346 A HN 0.338 nan 8.150 nan 0.000 0.489 1347 K N 1.341 121.784 120.400 0.072 0.000 2.026 1347 K HA 0.038 4.354 4.320 -0.007 0.000 0.208 1347 K C 1.057 177.718 176.600 0.102 0.000 1.048 1347 K CA 1.477 57.808 56.287 0.074 0.000 0.929 1347 K CB -0.039 32.501 32.500 0.067 0.000 0.713 1347 K HN 0.881 nan 8.250 nan 0.000 0.439 1348 G N -0.180 108.701 108.800 0.135 0.000 2.570 1348 G HA2 0.453 4.409 3.960 -0.007 0.000 0.310 1348 G HA3 0.453 4.409 3.960 -0.007 0.000 0.310 1348 G C -2.206 172.827 174.900 0.221 0.000 1.266 1348 G CA -0.752 44.451 45.100 0.172 0.000 0.825 1348 G HN 0.019 nan 8.290 nan 0.000 0.483 1349 L N 0.475 121.869 121.223 0.285 0.000 2.555 1349 L HA 0.813 5.149 4.340 -0.007 0.000 0.264 1349 L C 0.156 177.318 176.870 0.486 0.000 0.972 1349 L CA -0.471 54.596 54.840 0.378 0.000 0.876 1349 L CB 0.930 43.203 42.059 0.356 0.000 1.216 1349 L HN 1.206 nan 8.230 nan 0.000 0.415 1350 A N 4.086 127.218 122.820 0.520 0.000 2.302 1350 A HA 0.755 5.071 4.320 -0.007 0.000 0.285 1350 A C -1.152 176.785 177.584 0.588 0.000 1.105 1350 A CA -0.095 52.234 52.037 0.487 0.000 0.816 1350 A CB 0.478 19.764 19.000 0.477 0.000 1.067 1350 A HN 0.904 nan 8.150 nan 0.000 0.489 1351 Y N -1.573 118.907 120.300 0.299 0.000 2.644 1351 Y HA 0.821 5.367 4.550 -0.007 0.000 0.338 1351 Y C -1.143 174.821 175.900 0.106 0.000 1.119 1351 Y CA -1.744 56.411 58.100 0.092 0.000 1.060 1351 Y CB 1.355 39.675 38.460 -0.233 0.000 1.294 1351 Y HN 0.428 nan 8.280 nan 0.000 0.472 1352 I N 2.467 123.126 120.570 0.149 0.000 2.531 1352 I HA 0.270 4.436 4.170 -0.007 0.000 0.283 1352 I C -1.284 174.890 176.117 0.095 0.000 1.083 1352 I CA -0.860 60.498 61.300 0.098 0.000 1.071 1352 I CB 1.965 40.066 38.000 0.169 0.000 1.210 1352 I HN 0.576 nan 8.210 nan 0.000 0.450 1353 K N 5.358 125.842 120.400 0.140 0.000 2.316 1353 K HA 0.322 4.638 4.320 -0.007 0.000 0.289 1353 K C -0.302 176.318 176.600 0.033 0.000 1.070 1353 K CA -0.398 55.932 56.287 0.072 0.000 0.928 1353 K CB 1.626 34.181 32.500 0.092 0.000 1.039 1353 K HN 0.303 nan 8.250 nan 0.000 0.480 1354 V N 5.360 125.281 119.914 0.011 0.000 2.223 1354 V HA -0.038 4.078 4.120 -0.007 0.000 0.249 1354 V C 1.094 177.192 176.094 0.005 0.000 1.233 1354 V CA -0.231 62.074 62.300 0.008 0.000 1.131 1354 V CB -0.509 31.316 31.823 0.003 0.000 1.298 1354 V HN 0.723 nan 8.190 nan 0.000 0.498 1355 N N 2.953 121.658 118.700 0.007 0.000 2.028 1355 N HA -0.099 4.637 4.740 -0.007 0.000 0.194 1355 N C 0.802 176.313 175.510 0.002 0.000 1.050 1355 N CA 1.192 54.245 53.050 0.004 0.000 0.848 1355 N CB 0.255 38.744 38.487 0.004 0.000 1.038 1355 N HN 0.679 nan 8.380 nan 0.000 0.423 1356 E N -0.228 119.973 120.200 0.002 0.000 2.313 1356 E HA 0.254 4.600 4.350 -0.007 0.000 0.280 1356 E C 0.185 176.786 176.600 0.001 0.000 0.898 1356 E CA -0.452 55.949 56.400 0.001 0.000 0.803 1356 E CB 1.117 30.817 29.700 -0.001 0.000 1.286 1356 E HN -0.149 nan 8.360 nan 0.000 0.401 1357 R N 2.567 123.069 120.500 0.002 0.000 2.113 1357 R HA -0.191 4.144 4.340 -0.007 0.000 0.231 1357 R C 1.659 177.960 176.300 0.002 0.000 1.129 1357 R CA 1.851 57.953 56.100 0.003 0.000 0.915 1357 R CB -1.020 29.283 30.300 0.004 0.000 0.837 1357 R HN 0.655 nan 8.270 nan 0.000 0.430 1358 A N 1.557 124.377 122.820 0.001 0.000 2.054 1358 A HA -0.230 4.086 4.320 -0.007 0.000 0.223 1358 A C 1.816 179.399 177.584 -0.001 0.000 1.169 1358 A CA 1.954 53.991 52.037 -0.000 0.000 0.655 1358 A CB -0.402 18.598 19.000 -0.001 0.000 0.812 1358 A HN 0.367 nan 8.150 nan 0.000 0.462 1359 K N -0.574 119.824 120.400 -0.002 0.000 2.458 1359 K HA 0.284 4.600 4.320 -0.007 0.000 0.194 1359 K C 1.453 178.050 176.600 -0.005 0.000 1.024 1359 K CA 0.230 56.515 56.287 -0.004 0.000 1.108 1359 K CB -0.266 32.232 32.500 -0.005 0.000 0.846 1359 K HN 0.556 nan 8.250 nan 0.000 0.518 1360 G N 2.279 111.077 108.800 -0.003 0.000 2.660 1360 G HA2 -0.384 3.572 3.960 -0.007 0.000 0.338 1360 G HA3 -0.384 3.572 3.960 -0.007 0.000 0.338 1360 G C 0.912 175.807 174.900 -0.008 0.000 1.336 1360 G CA 0.706 45.804 45.100 -0.003 0.000 0.990 1360 G HN 0.260 nan 8.290 nan 0.000 0.537 1361 L N 0.953 122.168 121.223 -0.013 0.000 2.270 1361 L HA -0.110 4.226 4.340 -0.007 0.000 0.217 1361 L C 2.757 179.612 176.870 -0.025 0.000 1.107 1361 L CA 1.950 56.777 54.840 -0.023 0.000 0.772 1361 L CB -0.455 41.587 42.059 -0.028 0.000 0.902 1361 L HN 0.496 nan 8.230 nan 0.000 0.439 1362 E N -0.198 119.991 120.200 -0.019 0.000 2.318 1362 E HA -0.001 4.344 4.350 -0.007 0.000 0.193 1362 E C 2.069 178.661 176.600 -0.013 0.000 0.998 1362 E CA 0.940 57.329 56.400 -0.018 0.000 0.859 1362 E CB -0.007 29.684 29.700 -0.015 0.000 0.812 1362 E HN 0.450 nan 8.360 nan 0.000 0.492 1363 G N 1.597 110.391 108.800 -0.010 0.000 3.042 1363 G HA2 0.245 4.201 3.960 -0.007 0.000 0.212 1363 G HA3 0.245 4.201 3.960 -0.007 0.000 0.212 1363 G C 0.637 175.535 174.900 -0.002 0.000 1.166 1363 G CA -0.004 45.093 45.100 -0.005 0.000 0.767 1363 G HN 0.203 nan 8.290 nan 0.000 0.546 1364 I N -3.178 117.389 120.570 -0.006 0.000 2.785 1364 I HA 0.617 4.783 4.170 -0.007 0.000 0.302 1364 I C -1.491 174.621 176.117 -0.009 0.000 1.069 1364 I CA -2.119 59.181 61.300 -0.001 0.000 1.045 1364 I CB 2.355 40.357 38.000 0.002 0.000 1.236 1364 I HN -0.195 nan 8.210 nan 0.000 0.429 1365 N N 3.010 121.712 118.700 0.004 0.000 2.491 1365 N HA 0.582 5.318 4.740 -0.007 0.000 0.274 1365 N C -1.831 173.661 175.510 -0.029 0.000 1.023 1365 N CA -0.038 53.012 53.050 -0.000 0.000 0.902 1365 N CB 1.509 40.023 38.487 0.045 0.000 1.267 1365 N HN 0.851 nan 8.380 nan 0.000 0.503 1366 S N 4.003 119.624 115.700 -0.132 0.000 2.562 1366 S HA 0.475 4.941 4.470 -0.007 0.000 0.274 1366 S C -2.186 172.204 174.600 -0.350 0.000 1.160 1366 S CA -0.844 57.178 58.200 -0.297 0.000 0.933 1366 S CB 1.457 64.532 63.200 -0.207 0.000 1.100 1366 S HN 0.292 nan 8.310 nan 0.000 0.468 1367 P HA -0.094 nan 4.420 nan 0.000 0.214 1367 P C 1.646 178.619 177.300 -0.544 0.000 1.163 1367 P CA 1.617 64.474 63.100 -0.404 0.000 0.883 1367 P CB -0.063 31.443 31.700 -0.323 0.000 0.788 1368 V N -3.044 116.584 119.914 -0.477 0.000 2.970 1368 V HA -0.056 4.060 4.120 -0.007 0.000 0.260 1368 V C 2.139 177.919 176.094 -0.524 0.000 1.100 1368 V CA 1.255 63.213 62.300 -0.570 0.000 1.122 1368 V CB -1.956 29.628 31.823 -0.398 0.000 0.721 1368 V HN 0.026 nan 8.190 nan 0.000 0.483 1369 A N 2.676 125.273 122.820 -0.373 0.000 1.915 1369 A HA -0.336 3.980 4.320 -0.007 0.000 0.220 1369 A C 2.298 179.712 177.584 -0.282 0.000 1.198 1369 A CA 3.167 55.053 52.037 -0.250 0.000 0.647 1369 A CB -0.718 18.165 19.000 -0.195 0.000 0.825 1369 A HN 0.848 nan 8.150 nan 0.000 0.456 1370 K N -1.187 118.954 120.400 -0.432 0.000 2.009 1370 K HA -0.133 4.183 4.320 -0.007 0.000 0.210 1370 K C 1.737 178.165 176.600 -0.285 0.000 1.049 1370 K CA 1.757 57.812 56.287 -0.386 0.000 0.929 1370 K CB -0.868 31.319 32.500 -0.522 0.000 0.714 1370 K HN 0.444 nan 8.250 nan 0.000 0.440 1371 F N 1.219 120.946 119.950 -0.372 0.000 2.481 1371 F HA -0.148 4.375 4.527 -0.007 0.000 0.297 1371 F C 0.969 176.627 175.800 -0.237 0.000 1.095 1371 F CA -0.173 57.562 58.000 -0.442 0.000 1.465 1371 F CB -0.192 38.145 39.000 -1.104 0.000 1.098 1371 F HN -0.023 nan 8.300 nan 0.000 0.585 1372 L N -0.974 120.233 121.223 -0.028 0.000 2.777 1372 L HA 0.398 4.734 4.340 -0.007 0.000 0.241 1372 L C -0.257 176.616 176.870 0.004 0.000 1.854 1372 L CA -0.736 54.118 54.840 0.025 0.000 2.070 1372 L CB 0.109 42.188 42.059 0.033 0.000 2.441 1372 L HN -0.027 nan 8.230 nan 0.000 0.587 1373 N N -2.453 116.253 118.700 0.010 0.000 3.106 1373 N HA 0.532 5.268 4.740 -0.007 0.000 0.253 1373 N C -0.062 175.450 175.510 0.003 0.000 1.506 1373 N CA -0.204 52.846 53.050 0.001 0.000 0.876 1373 N CB 0.500 38.994 38.487 0.011 0.000 1.452 1373 N HN 0.471 nan 8.380 nan 0.000 0.542 1374 A N 0.419 123.239 122.820 -0.001 0.000 1.842 1374 A HA -0.223 4.093 4.320 -0.007 0.000 0.217 1374 A C 1.602 179.193 177.584 0.011 0.000 1.206 1374 A CA 2.184 54.222 52.037 0.002 0.000 0.630 1374 A CB -1.513 17.486 19.000 -0.001 0.000 0.839 1374 A HN 0.834 nan 8.150 nan 0.000 0.447 1375 E N -0.447 119.760 120.200 0.013 0.000 2.108 1375 E HA -0.248 4.098 4.350 -0.007 0.000 0.203 1375 E C 1.950 178.565 176.600 0.025 0.000 1.022 1375 E CA 1.624 58.034 56.400 0.017 0.000 0.823 1375 E CB -0.454 29.255 29.700 0.016 0.000 0.744 1375 E HN 0.724 nan 8.360 nan 0.000 0.456 1376 I N 0.813 121.402 120.570 0.031 0.000 2.090 1376 I HA -0.282 3.884 4.170 -0.007 0.000 0.236 1376 I C 2.505 178.653 176.117 0.052 0.000 1.064 1376 I CA 1.103 62.430 61.300 0.044 0.000 1.324 1376 I CB -0.343 37.691 38.000 0.056 0.000 1.044 1376 I HN 0.089 nan 8.210 nan 0.000 0.399 1377 I N 0.789 121.388 120.570 0.049 0.000 2.236 1377 I HA -0.344 3.822 4.170 -0.007 0.000 0.249 1377 I C 2.443 178.593 176.117 0.055 0.000 1.102 1377 I CA 1.635 62.971 61.300 0.059 0.000 1.365 1377 I CB -0.500 37.521 38.000 0.034 0.000 1.051 1377 I HN 0.345 nan 8.210 nan 0.000 0.420 1378 E N 0.567 120.789 120.200 0.037 0.000 2.051 1378 E HA -0.219 4.127 4.350 -0.007 0.000 0.192 1378 E C 1.780 178.401 176.600 0.035 0.000 0.991 1378 E CA 1.337 57.755 56.400 0.030 0.000 0.799 1378 E CB -0.131 29.581 29.700 0.020 0.000 0.748 1378 E HN 0.502 nan 8.360 nan 0.000 0.449 1379 D N 0.810 121.232 120.400 0.038 0.000 2.117 1379 D HA -0.123 4.513 4.640 -0.007 0.000 0.197 1379 D C 2.078 178.407 176.300 0.049 0.000 0.987 1379 D CA 0.829 54.851 54.000 0.036 0.000 0.829 1379 D CB -0.097 40.723 40.800 0.033 0.000 0.961 1379 D HN 0.185 nan 8.370 nan 0.000 0.460 1380 I N 0.815 121.431 120.570 0.076 0.000 2.226 1380 I HA -0.243 3.922 4.170 -0.007 0.000 0.245 1380 I C 2.425 178.593 176.117 0.084 0.000 1.100 1380 I CA 0.759 62.127 61.300 0.114 0.000 1.374 1380 I CB -0.089 38.037 38.000 0.210 0.000 1.057 1380 I HN -0.011 nan 8.210 nan 0.000 0.413 1381 L N -0.139 121.125 121.223 0.068 0.000 2.072 1381 L HA -0.176 4.159 4.340 -0.007 0.000 0.205 1381 L C 2.180 179.064 176.870 0.023 0.000 1.079 1381 L CA 1.060 55.925 54.840 0.041 0.000 0.752 1381 L CB -0.705 41.376 42.059 0.037 0.000 0.906 1381 L HN 0.204 nan 8.230 nan 0.000 0.436 1382 D N 0.063 120.477 120.400 0.023 0.000 2.104 1382 D HA -0.213 4.423 4.640 -0.007 0.000 0.194 1382 D C 2.185 178.491 176.300 0.009 0.000 0.994 1382 D CA 1.205 55.214 54.000 0.014 0.000 0.830 1382 D CB -0.067 40.741 40.800 0.014 0.000 0.959 1382 D HN 0.098 nan 8.370 nan 0.000 0.452 1383 R N 0.347 120.855 120.500 0.013 0.000 2.082 1383 R HA -0.121 4.214 4.340 -0.007 0.000 0.234 1383 R C 2.221 178.518 176.300 -0.005 0.000 1.136 1383 R CA 2.387 58.490 56.100 0.005 0.000 0.935 1383 R CB -0.837 29.470 30.300 0.012 0.000 0.842 1383 R HN 0.291 nan 8.270 nan 0.000 0.430 1384 T N -2.097 112.455 114.554 -0.004 0.000 3.051 1384 T HA 0.092 4.438 4.350 -0.007 0.000 0.269 1384 T C 1.018 175.707 174.700 -0.018 0.000 1.127 1384 T CA 0.680 62.767 62.100 -0.021 0.000 1.107 1384 T CB -0.317 68.530 68.868 -0.035 0.000 0.898 1384 T HN 0.521 nan 8.240 nan 0.000 0.517 1385 A N 0.323 123.138 122.820 -0.008 0.000 2.869 1385 A HA 0.124 4.440 4.320 -0.007 0.000 0.280 1385 A C 0.822 178.402 177.584 -0.006 0.000 1.458 1385 A CA 0.437 52.470 52.037 -0.006 0.000 0.776 1385 A CB -2.477 16.518 19.000 -0.008 0.000 1.028 1385 A HN 1.793 nan 8.150 nan 0.000 0.547 1386 A N -0.187 122.630 122.820 -0.005 0.000 2.531 1386 A HA 0.469 4.785 4.320 -0.007 0.000 0.236 1386 A C 0.649 178.232 177.584 -0.002 0.000 1.062 1386 A CA 0.638 52.671 52.037 -0.006 0.000 0.760 1386 A CB 0.143 19.141 19.000 -0.003 0.000 0.995 1386 A HN 0.738 nan 8.150 nan 0.000 0.501 1387 Q N 0.861 120.659 119.800 -0.003 0.000 2.399 1387 Q HA 0.335 4.671 4.340 -0.007 0.000 0.276 1387 Q C -1.197 174.803 176.000 -0.001 0.000 1.098 1387 Q CA -0.728 55.074 55.803 -0.001 0.000 0.827 1387 Q CB 1.360 30.098 28.738 -0.001 0.000 1.386 1387 Q HN 0.793 nan 8.270 nan 0.000 0.443 1388 D N -0.038 120.362 120.400 0.000 0.000 2.455 1388 D HA 0.346 4.982 4.640 -0.007 0.000 0.241 1388 D C 1.132 177.432 176.300 -0.000 0.000 1.138 1388 D CA 1.601 55.602 54.000 0.000 0.000 0.877 1388 D CB 0.371 41.171 40.800 0.000 0.000 1.187 1388 D HN 0.777 nan 8.370 nan 0.000 0.451 1389 G N 1.866 110.666 108.800 -0.000 0.000 2.308 1389 G HA2 -0.255 3.701 3.960 -0.007 0.000 0.221 1389 G HA3 -0.255 3.701 3.960 -0.007 0.000 0.221 1389 G C 0.066 174.965 174.900 -0.001 0.000 1.032 1389 G CA -0.258 44.841 45.100 -0.001 0.000 0.623 1389 G HN 0.563 nan 8.290 nan 0.000 0.506 1390 D N 0.890 121.288 120.400 -0.003 0.000 2.378 1390 D HA 0.500 5.136 4.640 -0.007 0.000 0.238 1390 D C 0.552 176.838 176.300 -0.023 0.000 1.180 1390 D CA 0.506 54.502 54.000 -0.006 0.000 0.895 1390 D CB 0.931 41.726 40.800 -0.008 0.000 1.192 1390 D HN 0.477 nan 8.370 nan 0.000 0.438 1391 M N 1.108 120.682 119.600 -0.042 0.000 2.602 1391 M HA 0.453 4.929 4.480 -0.007 0.000 0.312 1391 M C -1.839 174.361 176.300 -0.167 0.000 1.181 1391 M CA -0.502 54.720 55.300 -0.129 0.000 0.910 1391 M CB 1.677 34.154 32.600 -0.205 0.000 1.723 1391 M HN 0.141 nan 8.290 nan 0.000 0.459 1392 I N 4.772 125.189 120.570 -0.255 0.000 2.439 1392 I HA 0.333 4.499 4.170 -0.007 0.000 0.283 1392 I C -1.294 174.549 176.117 -0.456 0.000 1.023 1392 I CA -0.232 60.882 61.300 -0.310 0.000 1.100 1392 I CB 0.604 38.420 38.000 -0.305 0.000 1.238 1392 I HN 0.660 nan 8.210 nan 0.000 0.445 1393 F N 5.630 125.439 119.950 -0.236 0.000 2.377 1393 F HA 0.504 5.027 4.527 -0.007 0.000 0.328 1393 F C -0.025 175.556 175.800 -0.364 0.000 1.094 1393 F CA -0.242 57.687 58.000 -0.120 0.000 1.093 1393 F CB 1.253 40.250 39.000 -0.005 0.000 1.214 1393 F HN 0.179 nan 8.300 nan 0.000 0.518 1394 F N 0.547 120.700 119.950 0.339 0.000 2.493 1394 F HA 0.604 5.127 4.527 -0.007 0.000 0.329 1394 F C 0.351 176.255 175.800 0.173 0.000 1.126 1394 F CA -0.902 57.212 58.000 0.190 0.000 0.937 1394 F CB 1.970 41.090 39.000 0.200 0.000 1.146 1394 F HN 0.465 nan 8.300 nan 0.000 0.442 1395 G N 1.749 110.697 108.800 0.248 0.000 2.487 1395 G HA2 0.677 4.633 3.960 -0.007 0.000 0.314 1395 G HA3 0.677 4.633 3.960 -0.007 0.000 0.314 1395 G C -1.615 173.344 174.900 0.099 0.000 1.267 1395 G CA -0.820 44.370 45.100 0.150 0.000 0.937 1395 G HN 0.863 nan 8.290 nan 0.000 0.481 1396 A N 2.744 125.626 122.820 0.103 0.000 2.499 1396 A HA 0.762 5.078 4.320 -0.007 0.000 0.280 1396 A C -0.902 176.710 177.584 0.047 0.000 1.135 1396 A CA -0.524 51.540 52.037 0.046 0.000 0.744 1396 A CB 1.574 20.595 19.000 0.035 0.000 1.213 1396 A HN 0.639 nan 8.150 nan 0.000 0.434 1397 D N 0.527 120.939 120.400 0.019 0.000 3.948 1397 D HA 0.118 4.753 4.640 -0.007 0.000 0.338 1397 D C -1.062 175.239 176.300 0.002 0.000 1.541 1397 D CA -0.232 53.776 54.000 0.014 0.000 0.973 1397 D CB 0.564 41.379 40.800 0.024 0.000 1.449 1397 D HN 0.598 nan 8.370 nan 0.000 0.624 1398 N N 1.086 119.789 118.700 0.004 0.000 2.530 1398 N HA 0.103 4.839 4.740 -0.007 0.000 0.277 1398 N C 0.647 176.157 175.510 -0.001 0.000 1.168 1398 N CA -0.112 52.938 53.050 0.001 0.000 0.979 1398 N CB 1.538 40.029 38.487 0.006 0.000 1.141 1398 N HN 0.355 nan 8.380 nan 0.000 0.459 1399 K N 0.673 121.070 120.400 -0.005 0.000 2.184 1399 K HA -0.300 4.016 4.320 -0.007 0.000 0.210 1399 K C 1.679 178.274 176.600 -0.009 0.000 1.048 1399 K CA 2.040 58.319 56.287 -0.012 0.000 0.931 1399 K CB -0.041 32.454 32.500 -0.009 0.000 0.718 1399 K HN 0.665 nan 8.250 nan 0.000 0.465 1400 K N 1.259 121.664 120.400 0.009 0.000 1.967 1400 K HA -0.130 4.186 4.320 -0.007 0.000 0.212 1400 K C 2.092 178.699 176.600 0.012 0.000 1.044 1400 K CA 1.501 57.799 56.287 0.019 0.000 0.942 1400 K CB -0.183 32.337 32.500 0.034 0.000 0.726 1400 K HN 0.036 nan 8.250 nan 0.000 0.440 1401 I N 1.494 122.074 120.570 0.017 0.000 2.236 1401 I HA -0.317 3.849 4.170 -0.007 0.000 0.249 1401 I C 2.342 178.457 176.117 -0.003 0.000 1.102 1401 I CA 1.197 62.509 61.300 0.020 0.000 1.365 1401 I CB -0.305 37.709 38.000 0.024 0.000 1.051 1401 I HN 0.105 nan 8.210 nan 0.000 0.420 1402 V N 0.998 120.905 119.914 -0.011 0.000 2.295 1402 V HA -0.286 3.830 4.120 -0.007 0.000 0.246 1402 V C 2.743 178.802 176.094 -0.059 0.000 1.049 1402 V CA 2.044 64.327 62.300 -0.028 0.000 1.024 1402 V CB -1.028 30.780 31.823 -0.024 0.000 0.648 1402 V HN 0.511 nan 8.190 nan 0.000 0.447 1403 A N -0.061 122.726 122.820 -0.056 0.000 1.933 1403 A HA -0.228 4.088 4.320 -0.007 0.000 0.218 1403 A C 1.955 179.485 177.584 -0.091 0.000 1.175 1403 A CA 2.058 54.050 52.037 -0.074 0.000 0.628 1403 A CB -0.560 18.400 19.000 -0.066 0.000 0.814 1403 A HN 0.574 nan 8.150 nan 0.000 0.444 1404 D N 0.120 120.482 120.400 -0.063 0.000 2.087 1404 D HA 0.005 4.641 4.640 -0.007 0.000 0.201 1404 D C 2.344 178.465 176.300 -0.299 0.000 0.980 1404 D CA 1.710 55.665 54.000 -0.076 0.000 0.849 1404 D CB -0.839 40.008 40.800 0.080 0.000 1.001 1404 D HN 0.358 nan 8.370 nan 0.000 0.452 1405 A N 0.463 123.157 122.820 -0.211 0.000 1.908 1405 A HA -0.197 4.119 4.320 -0.007 0.000 0.218 1405 A C 2.169 179.503 177.584 -0.416 0.000 1.181 1405 A CA 1.924 53.743 52.037 -0.363 0.000 0.627 1405 A CB -0.489 18.451 19.000 -0.101 0.000 0.818 1405 A HN 0.131 nan 8.150 nan 0.000 0.445 1406 M N -0.373 119.081 119.600 -0.243 0.000 2.160 1406 M HA 0.100 4.576 4.480 -0.007 0.000 0.264 1406 M C 2.103 178.275 176.300 -0.213 0.000 1.073 1406 M CA 1.496 56.681 55.300 -0.193 0.000 1.142 1406 M CB -0.938 31.597 32.600 -0.109 0.000 1.358 1406 M HN 0.348 nan 8.290 nan 0.000 0.422 1407 G N -0.699 107.981 108.800 -0.201 0.000 2.442 1407 G HA2 -0.175 3.781 3.960 -0.007 0.000 0.219 1407 G HA3 -0.175 3.781 3.960 -0.007 0.000 0.219 1407 G C 1.527 176.301 174.900 -0.211 0.000 1.141 1407 G CA 1.148 46.153 45.100 -0.158 0.000 0.763 1407 G HN 0.611 nan 8.290 nan 0.000 0.554 1408 A N 0.554 123.136 122.820 -0.396 0.000 1.855 1408 A HA 0.092 4.408 4.320 -0.007 0.000 0.215 1408 A C 2.363 179.864 177.584 -0.138 0.000 1.191 1408 A CA 1.657 53.434 52.037 -0.432 0.000 0.613 1408 A CB -0.622 17.614 19.000 -1.274 0.000 0.829 1408 A HN 0.483 nan 8.150 nan 0.000 0.442 1409 L N 0.344 121.445 121.223 -0.204 0.000 2.021 1409 L HA -0.254 4.081 4.340 -0.007 0.000 0.215 1409 L C 2.499 179.264 176.870 -0.175 0.000 1.074 1409 L CA 2.811 57.599 54.840 -0.086 0.000 0.760 1409 L CB -0.696 41.200 42.059 -0.272 0.000 0.889 1409 L HN 0.544 nan 8.230 nan 0.000 0.433 1410 R N -0.522 119.884 120.500 -0.157 0.000 2.115 1410 R HA -0.233 4.103 4.340 -0.007 0.000 0.239 1410 R C 2.326 178.567 176.300 -0.099 0.000 1.133 1410 R CA 2.620 58.653 56.100 -0.112 0.000 0.935 1410 R CB -0.681 29.582 30.300 -0.062 0.000 0.853 1410 R HN 0.516 nan 8.270 nan 0.000 0.433 1411 L N 0.654 121.825 121.223 -0.087 0.000 2.012 1411 L HA -0.232 4.104 4.340 -0.007 0.000 0.210 1411 L C 2.862 179.677 176.870 -0.092 0.000 1.073 1411 L CA 2.066 56.857 54.840 -0.082 0.000 0.748 1411 L CB -0.604 41.411 42.059 -0.073 0.000 0.891 1411 L HN 0.365 nan 8.230 nan 0.000 0.431 1412 K N 0.193 120.532 120.400 -0.101 0.000 1.978 1412 K HA -0.197 4.119 4.320 -0.007 0.000 0.214 1412 K C 2.012 178.501 176.600 -0.185 0.000 1.049 1412 K CA 2.028 58.204 56.287 -0.184 0.000 0.939 1412 K CB -0.262 32.018 32.500 -0.366 0.000 0.721 1412 K HN 0.003 nan 8.250 nan 0.000 0.441 1413 V N 1.116 120.875 119.914 -0.258 0.000 2.250 1413 V HA -0.304 3.811 4.120 -0.007 0.000 0.253 1413 V C 2.429 178.487 176.094 -0.061 0.000 1.065 1413 V CA 2.321 64.526 62.300 -0.159 0.000 1.039 1413 V CB -1.349 30.368 31.823 -0.178 0.000 0.647 1413 V HN 0.744 nan 8.190 nan 0.000 0.446 1414 G N -0.789 107.969 108.800 -0.070 0.000 2.550 1414 G HA2 -0.325 3.631 3.960 -0.007 0.000 0.222 1414 G HA3 -0.325 3.631 3.960 -0.007 0.000 0.222 1414 G C 1.659 176.531 174.900 -0.046 0.000 1.113 1414 G CA 1.478 46.548 45.100 -0.049 0.000 0.748 1414 G HN 0.542 nan 8.290 nan 0.000 0.585 1415 K N -0.287 120.080 120.400 -0.056 0.000 2.078 1415 K HA 0.042 4.358 4.320 -0.007 0.000 0.203 1415 K C 2.163 178.744 176.600 -0.031 0.000 1.043 1415 K CA 0.681 56.938 56.287 -0.049 0.000 0.960 1415 K CB -0.092 32.372 32.500 -0.060 0.000 0.761 1415 K HN -0.005 nan 8.250 nan 0.000 0.448 1416 D N 0.849 121.236 120.400 -0.023 0.000 2.239 1416 D HA -0.161 4.475 4.640 -0.007 0.000 0.202 1416 D C 0.850 177.159 176.300 0.015 0.000 0.993 1416 D CA 1.261 55.266 54.000 0.008 0.000 0.874 1416 D CB 0.099 40.944 40.800 0.075 0.000 0.922 1416 D HN 0.038 nan 8.370 nan 0.000 0.464 1417 L N -1.284 119.948 121.223 0.015 0.000 3.014 1417 L HA 0.345 4.681 4.340 -0.007 0.000 0.263 1417 L C 1.283 178.151 176.870 -0.003 0.000 1.207 1417 L CA -0.014 54.834 54.840 0.014 0.000 1.017 1417 L CB 0.235 42.316 42.059 0.035 0.000 1.360 1417 L HN 0.016 nan 8.230 nan 0.000 0.560 1418 G N 0.289 109.080 108.800 -0.015 0.000 2.341 1418 G HA2 -0.306 3.650 3.960 -0.007 0.000 0.292 1418 G HA3 -0.306 3.650 3.960 -0.007 0.000 0.292 1418 G C 0.976 175.861 174.900 -0.024 0.000 1.021 1418 G CA 0.915 46.001 45.100 -0.024 0.000 0.905 1418 G HN 0.430 nan 8.290 nan 0.000 0.508 1419 L N -0.710 120.499 121.223 -0.023 0.000 2.307 1419 L HA 0.099 4.435 4.340 -0.007 0.000 0.211 1419 L C 1.661 178.509 176.870 -0.035 0.000 1.099 1419 L CA 0.847 55.674 54.840 -0.022 0.000 0.816 1419 L CB -0.087 41.965 42.059 -0.012 0.000 0.952 1419 L HN 0.228 nan 8.230 nan 0.000 0.455 1420 T N 0.755 115.281 114.554 -0.046 0.000 2.769 1420 T HA -0.033 4.312 4.350 -0.007 0.000 0.293 1420 T C 0.096 174.753 174.700 -0.072 0.000 0.931 1420 T CA -0.101 61.961 62.100 -0.063 0.000 1.139 1420 T CB 0.508 69.332 68.868 -0.073 0.000 0.881 1420 T HN -0.013 nan 8.240 nan 0.000 0.532 1421 D N 3.389 123.741 120.400 -0.079 0.000 2.545 1421 D HA 0.008 4.644 4.640 -0.007 0.000 0.227 1421 D C 1.213 177.435 176.300 -0.130 0.000 1.150 1421 D CA -0.247 53.698 54.000 -0.091 0.000 1.046 1421 D CB 0.203 40.954 40.800 -0.083 0.000 1.098 1421 D HN 0.398 nan 8.370 nan 0.000 0.502 1422 E N 0.624 120.747 120.200 -0.127 0.000 2.501 1422 E HA -0.133 4.213 4.350 -0.007 0.000 0.203 1422 E C 1.594 178.054 176.600 -0.234 0.000 1.072 1422 E CA 0.339 56.641 56.400 -0.163 0.000 0.885 1422 E CB 0.172 29.799 29.700 -0.121 0.000 0.813 1422 E HN 0.549 nan 8.360 nan 0.000 0.556 1423 S N 0.446 116.017 115.700 -0.216 0.000 2.387 1423 S HA -0.069 4.397 4.470 -0.007 0.000 0.221 1423 S C 1.261 175.619 174.600 -0.403 0.000 1.041 1423 S CA 0.082 58.130 58.200 -0.254 0.000 0.959 1423 S CB -0.089 63.024 63.200 -0.145 0.000 0.843 1423 S HN 0.208 nan 8.310 nan 0.000 0.488 1424 K N -0.033 120.176 120.400 -0.319 0.000 2.140 1424 K HA 0.242 4.558 4.320 -0.007 0.000 0.237 1424 K C -1.389 174.909 176.600 -0.503 0.000 1.045 1424 K CA -0.820 55.274 56.287 -0.322 0.000 0.896 1424 K CB 0.205 32.636 32.500 -0.116 0.000 1.122 1424 K HN 0.419 nan 8.250 nan 0.000 0.503 1425 W N -0.602 120.674 121.300 -0.040 0.000 2.471 1425 W HA 0.484 5.141 4.660 -0.006 0.000 0.318 1425 W C -0.790 175.610 176.519 -0.199 0.000 1.034 1425 W CA -0.859 56.426 57.345 -0.100 0.000 1.224 1425 W CB 1.977 31.370 29.460 -0.111 0.000 1.335 1425 W HN 0.692 nan 8.180 nan 0.000 0.452 1426 A N 5.883 128.688 122.820 -0.024 0.000 2.937 1426 A HA 0.464 4.780 4.320 -0.007 0.000 0.338 1426 A C -2.392 175.033 177.584 -0.265 0.000 1.273 1426 A CA -1.484 50.467 52.037 -0.144 0.000 0.937 1426 A CB -0.307 18.612 19.000 -0.136 0.000 1.133 1426 A HN 0.295 nan 8.150 nan 0.000 0.491 1427 P HA 0.630 nan 4.420 nan 0.000 0.279 1427 P C -0.561 176.342 177.300 -0.661 0.000 1.252 1427 P CA -0.203 62.415 63.100 -0.803 0.000 0.811 1427 P CB 1.679 32.419 31.700 -1.600 0.000 1.035 1428 L N -1.847 119.062 121.223 -0.524 0.000 3.020 1428 L HA 0.609 4.944 4.340 -0.007 0.000 0.273 1428 L C -2.086 174.738 176.870 -0.077 0.000 1.018 1428 L CA -1.034 53.691 54.840 -0.192 0.000 0.950 1428 L CB 1.282 43.298 42.059 -0.071 0.000 1.510 1428 L HN 0.268 nan 8.230 nan 0.000 0.404 1429 W N 1.056 122.442 121.300 0.144 0.000 2.475 1429 W HA 0.733 5.388 4.660 -0.008 0.000 0.317 1429 W C -0.839 175.772 176.519 0.153 0.000 1.046 1429 W CA -0.927 56.520 57.345 0.172 0.000 1.215 1429 W CB 2.261 31.817 29.460 0.159 0.000 1.335 1429 W HN 0.237 nan 8.180 nan 0.000 0.471 1430 V N 6.675 126.887 119.914 0.497 0.000 2.313 1430 V HA 0.311 4.427 4.120 -0.007 0.000 0.278 1430 V C 0.417 176.748 176.094 0.394 0.000 1.017 1430 V CA -0.705 61.787 62.300 0.321 0.000 0.823 1430 V CB -0.271 31.708 31.823 0.259 0.000 1.010 1430 V HN 0.484 nan 8.190 nan 0.000 0.443 1431 I N 0.410 121.123 120.570 0.238 0.000 3.501 1431 I HA 0.691 4.857 4.170 -0.007 0.000 0.297 1431 I C -0.136 176.048 176.117 0.112 0.000 1.199 1431 I CA -0.833 60.617 61.300 0.249 0.000 0.987 1431 I CB 1.091 39.191 38.000 0.167 0.000 1.365 1431 I HN 0.453 nan 8.210 nan 0.000 0.574 1432 D N 1.083 121.568 120.400 0.142 0.000 2.803 1432 D HA -0.206 4.430 4.640 -0.007 0.000 0.233 1432 D C -0.872 175.436 176.300 0.012 0.000 1.182 1432 D CA 0.965 55.009 54.000 0.073 0.000 0.726 1432 D CB -1.337 39.492 40.800 0.048 0.000 0.987 1432 D HN 0.358 nan 8.370 nan 0.000 0.412 1433 F N 0.560 120.442 119.950 -0.115 0.000 2.406 1433 F HA 0.313 4.836 4.527 -0.006 0.000 0.327 1433 F C -1.143 174.432 175.800 -0.375 0.000 1.153 1433 F CA -1.714 56.075 58.000 -0.352 0.000 1.218 1433 F CB 0.296 39.048 39.000 -0.412 0.000 1.215 1433 F HN -0.094 nan 8.300 nan 0.000 0.570 1434 P HA -0.055 nan 4.420 nan 0.000 0.270 1434 P C 0.289 177.463 177.300 -0.209 0.000 1.223 1434 P CA -0.123 62.853 63.100 -0.208 0.000 0.785 1434 P CB 0.750 32.324 31.700 -0.211 0.000 0.923 1435 M N 1.427 120.896 119.600 -0.218 0.000 2.236 1435 M HA 0.108 4.583 4.480 -0.007 0.000 0.266 1435 M C -0.058 175.743 176.300 -0.832 0.000 1.070 1435 M CA 1.947 56.935 55.300 -0.520 0.000 1.137 1435 M CB -0.265 32.031 32.600 -0.507 0.000 1.378 1435 M HN 0.284 nan 8.290 nan 0.000 0.426 1436 F N -0.765 119.148 119.950 -0.062 0.000 2.706 1436 F HA 0.509 5.032 4.527 -0.007 0.000 0.328 1436 F C -0.645 175.132 175.800 -0.038 0.000 1.123 1436 F CA -1.174 56.797 58.000 -0.049 0.000 0.978 1436 F CB 1.089 40.068 39.000 -0.034 0.000 1.404 1436 F HN -0.006 nan 8.300 nan 0.000 0.497 1437 E N -0.305 120.017 120.200 0.203 0.000 2.343 1437 E HA 0.292 4.638 4.350 -0.007 0.000 0.278 1437 E C -1.993 174.668 176.600 0.101 0.000 0.910 1437 E CA -1.053 55.417 56.400 0.116 0.000 0.757 1437 E CB 2.187 31.933 29.700 0.077 0.000 1.218 1437 E HN 0.422 nan 8.360 nan 0.000 0.435 1438 D N 1.990 122.435 120.400 0.076 0.000 2.583 1438 D HA -0.112 4.523 4.640 -0.007 0.000 0.232 1438 D C 0.509 176.836 176.300 0.045 0.000 1.128 1438 D CA 0.484 54.514 54.000 0.049 0.000 0.859 1438 D CB 0.859 41.684 40.800 0.042 0.000 1.169 1438 D HN 0.591 nan 8.370 nan 0.000 0.481 1439 D N 2.610 123.028 120.400 0.030 0.000 2.305 1439 D HA 0.112 4.748 4.640 -0.007 0.000 0.206 1439 D C 1.385 177.698 176.300 0.021 0.000 0.974 1439 D CA 1.061 55.078 54.000 0.028 0.000 0.871 1439 D CB 0.117 40.929 40.800 0.020 0.000 0.947 1439 D HN 0.577 nan 8.370 nan 0.000 0.516 1440 G N 0.838 109.648 108.800 0.017 0.000 2.698 1440 G HA2 -0.243 3.713 3.960 -0.007 0.000 0.200 1440 G HA3 -0.243 3.713 3.960 -0.007 0.000 0.200 1440 G C -0.127 174.777 174.900 0.007 0.000 2.083 1440 G CA -0.028 45.080 45.100 0.013 0.000 1.629 1440 G HN 0.398 nan 8.290 nan 0.000 0.565 1441 E N 2.181 122.383 120.200 0.004 0.000 1.852 1441 E HA 0.416 4.762 4.350 -0.007 0.000 0.276 1441 E C 1.509 178.106 176.600 -0.006 0.000 1.163 1441 E CA 0.785 57.185 56.400 -0.001 0.000 1.117 1441 E CB -0.762 28.938 29.700 -0.001 0.000 1.124 1441 E HN 1.643 nan 8.360 nan 0.000 0.458 1442 G N 3.032 111.827 108.800 -0.007 0.000 4.148 1442 G HA2 -0.405 3.551 3.960 -0.007 0.000 0.221 1442 G HA3 -0.405 3.551 3.960 -0.007 0.000 0.221 1442 G C 0.757 175.643 174.900 -0.024 0.000 1.373 1442 G CA -0.049 45.042 45.100 -0.015 0.000 0.940 1442 G HN 0.771 nan 8.290 nan 0.000 0.610 1443 G N 0.114 108.898 108.800 -0.025 0.000 2.593 1443 G HA2 0.475 4.431 3.960 -0.007 0.000 0.279 1443 G HA3 0.475 4.431 3.960 -0.007 0.000 0.279 1443 G C 0.053 174.928 174.900 -0.041 0.000 1.329 1443 G CA 0.412 45.487 45.100 -0.040 0.000 1.036 1443 G HN 1.074 nan 8.290 nan 0.000 0.555 1444 L N -1.851 119.333 121.223 -0.064 0.000 2.327 1444 L HA 0.691 5.026 4.340 -0.007 0.000 0.258 1444 L C -0.007 176.879 176.870 0.026 0.000 1.024 1444 L CA -0.808 54.006 54.840 -0.044 0.000 0.825 1444 L CB 2.626 44.566 42.059 -0.199 0.000 1.386 1444 L HN 0.660 nan 8.230 nan 0.000 0.417 1445 T N 0.058 114.693 114.554 0.134 0.000 2.900 1445 T HA 0.701 5.047 4.350 -0.007 0.000 0.303 1445 T C -0.980 173.873 174.700 0.255 0.000 1.142 1445 T CA -0.297 61.904 62.100 0.167 0.000 1.007 1445 T CB 1.709 70.632 68.868 0.093 0.000 1.156 1445 T HN 0.708 nan 8.240 nan 0.000 0.490 1446 A N 4.519 127.446 122.820 0.178 0.000 2.462 1446 A HA 0.427 4.743 4.320 -0.007 0.000 0.243 1446 A C 1.561 179.119 177.584 -0.043 0.000 1.076 1446 A CA -0.314 51.728 52.037 0.009 0.000 0.773 1446 A CB 0.058 19.006 19.000 -0.086 0.000 1.010 1446 A HN 0.927 nan 8.150 nan 0.000 0.493 1447 M N 0.250 119.769 119.600 -0.135 0.000 2.062 1447 M HA -0.076 4.400 4.480 -0.007 0.000 0.259 1447 M C 1.764 178.008 176.300 -0.095 0.000 1.076 1447 M CA 2.108 57.338 55.300 -0.116 0.000 1.122 1447 M CB -1.212 31.273 32.600 -0.190 0.000 1.312 1447 M HN 1.061 nan 8.290 nan 0.000 0.412 1448 H N -0.688 118.193 119.070 -0.315 0.000 2.342 1448 H HA 0.096 4.648 4.556 -0.007 0.000 0.334 1448 H C -0.230 174.969 175.328 -0.215 0.000 1.207 1448 H CA 1.294 57.129 56.048 -0.355 0.000 1.810 1448 H CB -0.023 29.384 29.762 -0.592 0.000 1.530 1448 H HN 0.419 nan 8.280 nan 0.000 0.618 1449 H N -3.325 115.609 119.070 -0.228 0.000 2.996 1449 H HA 0.327 4.879 4.556 -0.007 0.000 0.368 1449 H C -2.465 172.583 175.328 -0.465 0.000 1.185 1449 H CA -2.872 52.989 56.048 -0.313 0.000 1.160 1449 H CB 0.685 30.305 29.762 -0.237 0.000 1.820 1449 H HN 0.051 nan 8.280 nan 0.000 0.547 1450 P HA -0.177 nan 4.420 nan 0.000 0.220 1450 P C -0.047 176.745 177.300 -0.847 0.000 1.142 1450 P CA 1.610 64.246 63.100 -0.774 0.000 0.801 1450 P CB -0.112 31.002 31.700 -0.977 0.000 0.764 1451 F N -2.845 117.139 119.950 0.056 0.000 2.645 1451 F HA 0.181 4.704 4.527 -0.006 0.000 0.300 1451 F C 0.876 176.715 175.800 0.065 0.000 1.115 1451 F CA -0.225 57.755 58.000 -0.033 0.000 1.355 1451 F CB -0.804 38.092 39.000 -0.173 0.000 1.026 1451 F HN -0.341 nan 8.300 nan 0.000 0.536 1452 T N 1.034 115.632 114.554 0.074 0.000 2.806 1452 T HA 0.328 4.674 4.350 -0.007 0.000 0.290 1452 T C 0.381 175.014 174.700 -0.111 0.000 0.966 1452 T CA -0.601 61.468 62.100 -0.052 0.000 1.060 1452 T CB 1.087 69.818 68.868 -0.229 0.000 0.927 1452 T HN 0.237 nan 8.240 nan 0.000 0.485 1453 S N 3.634 119.288 115.700 -0.077 0.000 2.616 1453 S HA 0.584 5.050 4.470 -0.007 0.000 0.277 1453 S C -2.879 171.676 174.600 -0.075 0.000 1.234 1453 S CA -1.679 56.484 58.200 -0.061 0.000 1.028 1453 S CB 0.873 64.069 63.200 -0.007 0.000 0.988 1453 S HN 0.279 nan 8.310 nan 0.000 0.522 1454 P HA 0.318 nan 4.420 nan 0.000 0.274 1454 P C 0.440 177.730 177.300 -0.017 0.000 1.231 1454 P CA -0.556 62.519 63.100 -0.042 0.000 0.790 1454 P CB 0.583 32.278 31.700 -0.008 0.000 0.951 1455 K N 1.284 121.677 120.400 -0.011 0.000 2.002 1455 K HA -0.085 4.231 4.320 -0.007 0.000 0.209 1455 K C 0.171 176.778 176.600 0.012 0.000 1.048 1455 K CA 1.969 58.259 56.287 0.005 0.000 0.930 1455 K CB -0.240 32.266 32.500 0.010 0.000 0.714 1455 K HN 0.387 nan 8.250 nan 0.000 0.438 1456 D N -0.144 120.263 120.400 0.013 0.000 2.823 1456 D HA 0.190 4.826 4.640 -0.007 0.000 0.255 1456 D C -1.046 175.263 176.300 0.015 0.000 1.257 1456 D CA -0.002 54.008 54.000 0.015 0.000 0.803 1456 D CB 0.454 41.263 40.800 0.015 0.000 1.384 1456 D HN 0.125 nan 8.370 nan 0.000 0.541 1457 M N 1.135 120.744 119.600 0.015 0.000 2.221 1457 M HA 0.127 4.603 4.480 -0.007 0.000 0.259 1457 M C 0.189 176.496 176.300 0.012 0.000 1.001 1457 M CA -0.707 54.603 55.300 0.016 0.000 1.009 1457 M CB 2.065 34.680 32.600 0.025 0.000 1.939 1457 M HN -0.044 nan 8.290 nan 0.000 0.477 1458 T N -0.266 114.292 114.554 0.007 0.000 2.855 1458 T HA 0.269 4.615 4.350 -0.007 0.000 0.322 1458 T C 1.373 176.073 174.700 -0.001 0.000 1.088 1458 T CA 0.175 62.274 62.100 -0.001 0.000 1.104 1458 T CB 0.989 69.855 68.868 -0.003 0.000 0.996 1458 T HN 0.739 nan 8.240 nan 0.000 0.549 1459 A N 1.828 124.641 122.820 -0.011 0.000 1.986 1459 A HA 0.082 4.397 4.320 -0.007 0.000 0.220 1459 A C 2.625 180.205 177.584 -0.007 0.000 1.171 1459 A CA 2.039 54.069 52.037 -0.012 0.000 0.640 1459 A CB -1.525 17.459 19.000 -0.026 0.000 0.811 1459 A HN 1.263 nan 8.150 nan 0.000 0.451 1460 A N -0.078 122.737 122.820 -0.007 0.000 1.835 1460 A HA -0.193 4.123 4.320 -0.007 0.000 0.215 1460 A C 1.886 179.469 177.584 -0.001 0.000 1.199 1460 A CA 1.680 53.713 52.037 -0.006 0.000 0.615 1460 A CB -0.743 18.253 19.000 -0.006 0.000 0.838 1460 A HN 0.591 nan 8.150 nan 0.000 0.444 1461 E N -0.763 119.439 120.200 0.003 0.000 2.130 1461 E HA -0.231 4.115 4.350 -0.007 0.000 0.196 1461 E C 1.909 178.519 176.600 0.016 0.000 0.998 1461 E CA 1.291 57.696 56.400 0.009 0.000 0.806 1461 E CB -0.297 29.410 29.700 0.012 0.000 0.738 1461 E HN 0.466 nan 8.360 nan 0.000 0.459 1462 L N 1.839 123.076 121.223 0.023 0.000 2.017 1462 L HA -0.209 4.127 4.340 -0.007 0.000 0.208 1462 L C 2.000 178.880 176.870 0.016 0.000 1.073 1462 L CA 1.918 56.785 54.840 0.045 0.000 0.745 1462 L CB -0.259 41.839 42.059 0.064 0.000 0.894 1462 L HN 0.014 nan 8.230 nan 0.000 0.432 1463 K N -1.226 119.170 120.400 -0.007 0.000 2.432 1463 K HA 0.133 4.449 4.320 -0.007 0.000 0.196 1463 K C 1.761 178.343 176.600 -0.029 0.000 1.038 1463 K CA 0.861 57.128 56.287 -0.034 0.000 0.986 1463 K CB -0.322 32.158 32.500 -0.033 0.000 0.782 1463 K HN 0.292 nan 8.250 nan 0.000 0.485 1464 A N 1.855 124.667 122.820 -0.013 0.000 1.929 1464 A HA 0.202 4.518 4.320 -0.007 0.000 0.216 1464 A C 1.462 179.041 177.584 -0.009 0.000 1.176 1464 A CA 1.143 53.174 52.037 -0.010 0.000 0.628 1464 A CB -0.029 18.970 19.000 -0.003 0.000 0.816 1464 A HN 0.392 nan 8.150 nan 0.000 0.444 1465 A N -1.093 121.725 122.820 -0.002 0.000 3.277 1465 A HA 0.524 4.839 4.320 -0.007 0.000 0.281 1465 A C -1.697 175.899 177.584 0.020 0.000 1.179 1465 A CA -0.333 51.707 52.037 0.004 0.000 0.879 1465 A CB 0.413 19.420 19.000 0.012 0.000 1.374 1465 A HN 0.157 nan 8.150 nan 0.000 0.590 1466 P HA -0.161 nan 4.420 nan 0.000 0.214 1466 P C 0.943 178.298 177.300 0.092 0.000 1.162 1466 P CA 1.507 64.616 63.100 0.015 0.000 0.874 1466 P CB 0.319 31.897 31.700 -0.204 0.000 0.784 1467 E N 0.520 120.733 120.200 0.023 0.000 2.164 1467 E HA -0.195 4.151 4.350 -0.007 0.000 0.206 1467 E C 0.987 177.650 176.600 0.105 0.000 1.032 1467 E CA 1.562 57.999 56.400 0.062 0.000 0.832 1467 E CB -0.922 28.794 29.700 0.026 0.000 0.742 1467 E HN 0.348 nan 8.360 nan 0.000 0.460 1468 N N -0.297 118.454 118.700 0.086 0.000 2.389 1468 N HA 0.296 5.032 4.740 -0.007 0.000 0.260 1468 N C -1.077 174.480 175.510 0.078 0.000 1.191 1468 N CA 0.209 53.307 53.050 0.080 0.000 0.885 1468 N CB 0.864 39.386 38.487 0.058 0.000 1.162 1468 N HN 0.114 nan 8.380 nan 0.000 0.512 1469 A N 0.314 123.201 122.820 0.112 0.000 2.401 1469 A HA 0.397 4.713 4.320 -0.007 0.000 0.259 1469 A C 0.387 177.992 177.584 0.035 0.000 1.103 1469 A CA -0.246 51.846 52.037 0.092 0.000 0.789 1469 A CB 0.500 19.600 19.000 0.166 0.000 1.035 1469 A HN 0.047 nan 8.150 nan 0.000 0.491 1470 V N 2.342 122.265 119.914 0.015 0.000 2.498 1470 V HA 0.494 4.610 4.120 -0.007 0.000 0.279 1470 V C 0.868 176.936 176.094 -0.043 0.000 1.048 1470 V CA 0.012 62.306 62.300 -0.010 0.000 0.967 1470 V CB 0.939 32.768 31.823 0.011 0.000 0.988 1470 V HN 1.090 nan 8.190 nan 0.000 0.473 1471 A N 3.609 126.381 122.820 -0.080 0.000 2.304 1471 A HA 0.488 4.804 4.320 -0.007 0.000 0.301 1471 A C 0.519 178.067 177.584 -0.059 0.000 1.132 1471 A CA -0.522 51.446 52.037 -0.116 0.000 0.819 1471 A CB 0.249 19.125 19.000 -0.205 0.000 1.094 1471 A HN 0.770 nan 8.150 nan 0.000 0.492 1472 N N 0.798 119.462 118.700 -0.060 0.000 3.091 1472 N HA 0.382 5.118 4.740 -0.007 0.000 0.301 1472 N C -0.124 175.352 175.510 -0.057 0.000 1.325 1472 N CA 0.497 53.545 53.050 -0.004 0.000 1.143 1472 N CB -0.397 38.099 38.487 0.015 0.000 1.450 1472 N HN 0.745 nan 8.380 nan 0.000 0.542 1473 A N 0.901 123.637 122.820 -0.140 0.000 2.288 1473 A HA 0.788 5.104 4.320 -0.007 0.000 0.328 1473 A C -1.349 176.079 177.584 -0.260 0.000 1.123 1473 A CA -0.509 51.245 52.037 -0.473 0.000 0.861 1473 A CB 0.781 19.466 19.000 -0.525 0.000 1.272 1473 A HN 0.401 nan 8.150 nan 0.000 0.490 1474 Y N -1.817 118.418 120.300 -0.108 0.000 2.573 1474 Y HA 0.656 5.202 4.550 -0.008 0.000 0.328 1474 Y C -1.766 174.174 175.900 0.066 0.000 1.170 1474 Y CA -1.852 56.307 58.100 0.100 0.000 1.078 1474 Y CB 0.624 39.075 38.460 -0.015 0.000 1.341 1474 Y HN 0.466 nan 8.280 nan 0.000 0.459 1475 D N 2.528 123.231 120.400 0.504 0.000 2.457 1475 D HA 0.442 5.078 4.640 -0.007 0.000 0.240 1475 D C -1.129 175.499 176.300 0.548 0.000 1.041 1475 D CA -0.569 53.654 54.000 0.370 0.000 0.861 1475 D CB 2.596 43.523 40.800 0.213 0.000 1.394 1475 D HN 0.797 nan 8.370 nan 0.000 0.473 1476 M N 1.848 121.613 119.600 0.276 0.000 2.180 1476 M HA 0.452 4.928 4.480 -0.007 0.000 0.350 1476 M C -1.522 174.762 176.300 -0.027 0.000 1.125 1476 M CA -0.584 54.631 55.300 -0.142 0.000 1.031 1476 M CB 1.111 33.464 32.600 -0.412 0.000 1.623 1476 M HN 0.036 nan 8.290 nan 0.000 0.451 1477 V N 6.566 126.426 119.914 -0.089 0.000 2.604 1477 V HA 0.588 4.704 4.120 -0.007 0.000 0.305 1477 V C -0.573 175.428 176.094 -0.154 0.000 1.043 1477 V CA -0.616 61.657 62.300 -0.044 0.000 0.888 1477 V CB 2.111 33.938 31.823 0.007 0.000 0.995 1477 V HN 0.782 nan 8.190 nan 0.000 0.429 1478 I N 3.911 124.438 120.570 -0.072 0.000 2.500 1478 I HA 0.440 4.606 4.170 -0.007 0.000 0.286 1478 I C -0.229 175.934 176.117 0.077 0.000 1.063 1478 I CA -0.706 60.534 61.300 -0.100 0.000 1.062 1478 I CB 1.944 39.844 38.000 -0.166 0.000 1.223 1478 I HN 0.661 nan 8.210 nan 0.000 0.435 1479 N N 4.666 123.377 118.700 0.018 0.000 2.727 1479 N HA -0.202 4.534 4.740 -0.007 0.000 0.249 1479 N C 0.858 176.363 175.510 -0.008 0.000 1.048 1479 N CA 1.533 54.604 53.050 0.034 0.000 0.714 1479 N CB -1.040 37.535 38.487 0.148 0.000 0.959 1479 N HN 1.171 nan 8.380 nan 0.000 0.544 1480 G N -2.766 105.987 108.800 -0.078 0.000 2.159 1480 G HA2 -0.361 3.595 3.960 -0.007 0.000 0.256 1480 G HA3 -0.361 3.595 3.960 -0.007 0.000 0.256 1480 G C -0.223 174.554 174.900 -0.205 0.000 0.977 1480 G CA 0.417 45.419 45.100 -0.164 0.000 0.652 1480 G HN 0.511 nan 8.290 nan 0.000 0.531 1481 Y N 0.424 120.722 120.300 -0.004 0.000 2.360 1481 Y HA 0.527 5.074 4.550 -0.006 0.000 0.337 1481 Y C 0.571 176.486 175.900 0.026 0.000 1.039 1481 Y CA -0.776 57.337 58.100 0.021 0.000 1.109 1481 Y CB 1.415 39.901 38.460 0.043 0.000 1.201 1481 Y HN 0.142 nan 8.280 nan 0.000 0.458 1482 E N 3.498 123.824 120.200 0.209 0.000 1.996 1482 E HA 0.177 4.523 4.350 -0.007 0.000 0.280 1482 E C 0.175 176.876 176.600 0.169 0.000 1.092 1482 E CA -0.188 56.305 56.400 0.155 0.000 0.862 1482 E CB 0.790 30.563 29.700 0.122 0.000 1.066 1482 E HN 0.722 nan 8.360 nan 0.000 0.396 1483 V N 1.427 121.442 119.914 0.168 0.000 3.590 1483 V HA 0.463 4.578 4.120 -0.007 0.000 0.265 1483 V C 0.563 176.837 176.094 0.299 0.000 1.239 1483 V CA 0.539 62.959 62.300 0.201 0.000 1.117 1483 V CB 0.478 32.405 31.823 0.174 0.000 0.818 1483 V HN 0.464 nan 8.190 nan 0.000 0.451 1484 G N -1.044 107.884 108.800 0.214 0.000 2.766 1484 G HA2 0.616 4.572 3.960 -0.007 0.000 0.297 1484 G HA3 0.616 4.572 3.960 -0.007 0.000 0.297 1484 G C -0.696 174.245 174.900 0.068 0.000 1.431 1484 G CA -0.071 45.098 45.100 0.115 0.000 1.042 1484 G HN 0.648 nan 8.290 nan 0.000 0.542 1485 G N -0.866 107.952 108.800 0.029 0.000 2.482 1485 G HA2 0.969 4.925 3.960 -0.007 0.000 0.317 1485 G HA3 0.969 4.925 3.960 -0.007 0.000 0.317 1485 G C -0.141 174.725 174.900 -0.057 0.000 1.241 1485 G CA -0.133 44.927 45.100 -0.068 0.000 0.967 1485 G HN 1.426 nan 8.290 nan 0.000 0.482 1486 G N -0.951 107.634 108.800 -0.357 0.000 2.550 1486 G HA2 0.876 4.832 3.960 -0.007 0.000 0.293 1486 G HA3 0.876 4.832 3.960 -0.007 0.000 0.293 1486 G C -0.764 173.492 174.900 -1.074 0.000 1.402 1486 G CA 0.400 45.308 45.100 -0.319 0.000 0.784 1486 G HN 1.976 nan 8.290 nan 0.000 0.482 1487 S N -2.201 113.073 115.700 -0.710 0.000 2.686 1487 S HA 0.491 4.957 4.470 -0.007 0.000 0.273 1487 S C -1.451 173.119 174.600 -0.051 0.000 1.060 1487 S CA -0.619 57.216 58.200 -0.609 0.000 0.845 1487 S CB 1.090 64.048 63.200 -0.404 0.000 1.086 1487 S HN 1.328 nan 8.310 nan 0.000 0.461 1488 V N 3.215 123.135 119.914 0.009 0.000 2.461 1488 V HA 0.478 4.594 4.120 -0.007 0.000 0.275 1488 V C 0.463 176.525 176.094 -0.053 0.000 1.047 1488 V CA -0.553 61.756 62.300 0.014 0.000 0.955 1488 V CB 0.738 32.576 31.823 0.025 0.000 0.988 1488 V HN 0.811 nan 8.190 nan 0.000 0.471 1489 R N 4.152 124.557 120.500 -0.159 0.000 2.637 1489 R HA 0.484 4.820 4.340 -0.007 0.000 0.269 1489 R C -0.318 175.908 176.300 -0.124 0.000 1.089 1489 R CA -0.619 55.371 56.100 -0.182 0.000 1.177 1489 R CB 0.673 30.672 30.300 -0.502 0.000 1.091 1489 R HN 0.532 nan 8.270 nan 0.000 0.540 1490 I N 3.233 123.797 120.570 -0.009 0.000 2.395 1490 I HA 0.036 4.202 4.170 -0.007 0.000 0.289 1490 I C 0.983 177.193 176.117 0.155 0.000 1.023 1490 I CA -0.071 61.272 61.300 0.072 0.000 1.350 1490 I CB 0.536 38.533 38.000 -0.005 0.000 1.409 1490 I HN 0.593 nan 8.210 nan 0.000 0.507 1491 H N 5.276 124.341 119.070 -0.008 0.000 2.587 1491 H HA 0.362 4.914 4.556 -0.007 0.000 0.245 1491 H C -1.131 174.215 175.328 0.031 0.000 1.238 1491 H CA -0.653 55.438 56.048 0.070 0.000 0.963 1491 H CB -0.068 29.771 29.762 0.128 0.000 1.904 1491 H HN 0.627 nan 8.280 nan 0.000 0.584 1492 N N 0.562 119.170 118.700 -0.155 0.000 2.542 1492 N HA 0.103 4.839 4.740 -0.007 0.000 0.288 1492 N C 0.873 176.309 175.510 -0.124 0.000 1.115 1492 N CA 0.222 53.157 53.050 -0.192 0.000 0.924 1492 N CB 1.733 40.045 38.487 -0.291 0.000 1.526 1492 N HN 0.314 nan 8.380 nan 0.000 0.515 1493 G N 2.774 111.515 108.800 -0.098 0.000 2.556 1493 G HA2 -0.362 3.594 3.960 -0.007 0.000 0.220 1493 G HA3 -0.362 3.594 3.960 -0.007 0.000 0.220 1493 G C 0.952 175.801 174.900 -0.085 0.000 1.156 1493 G CA 1.609 46.660 45.100 -0.082 0.000 0.766 1493 G HN 0.742 nan 8.290 nan 0.000 0.583 1494 D N -0.297 120.055 120.400 -0.081 0.000 2.084 1494 D HA -0.141 4.495 4.640 -0.007 0.000 0.194 1494 D C 2.385 178.634 176.300 -0.086 0.000 0.990 1494 D CA 1.574 55.534 54.000 -0.067 0.000 0.826 1494 D CB -0.303 40.463 40.800 -0.057 0.000 0.971 1494 D HN 0.188 nan 8.370 nan 0.000 0.453 1495 M N 0.332 119.872 119.600 -0.100 0.000 2.073 1495 M HA -0.219 4.257 4.480 -0.007 0.000 0.258 1495 M C 2.099 178.297 176.300 -0.170 0.000 1.070 1495 M CA 1.843 57.080 55.300 -0.105 0.000 1.103 1495 M CB -0.935 31.606 32.600 -0.098 0.000 1.321 1495 M HN 0.044 nan 8.290 nan 0.000 0.405 1496 Q N 0.125 119.785 119.800 -0.233 0.000 2.077 1496 Q HA -0.263 4.073 4.340 -0.007 0.000 0.206 1496 Q C 2.157 177.793 176.000 -0.606 0.000 0.989 1496 Q CA 2.638 58.158 55.803 -0.471 0.000 0.853 1496 Q CB -0.671 27.818 28.738 -0.414 0.000 0.907 1496 Q HN 0.791 nan 8.270 nan 0.000 0.418 1497 Q N -1.138 118.504 119.800 -0.264 0.000 2.084 1497 Q HA -0.161 4.175 4.340 -0.007 0.000 0.202 1497 Q C 1.610 177.597 176.000 -0.021 0.000 0.978 1497 Q CA 2.000 57.772 55.803 -0.052 0.000 0.844 1497 Q CB -0.097 28.648 28.738 0.011 0.000 0.898 1497 Q HN 0.479 nan 8.270 nan 0.000 0.426 1498 T N 0.644 115.159 114.554 -0.065 0.000 2.708 1498 T HA -0.112 4.234 4.350 -0.007 0.000 0.266 1498 T C 1.971 176.660 174.700 -0.018 0.000 1.037 1498 T CA 1.523 63.604 62.100 -0.031 0.000 1.146 1498 T CB -0.352 68.496 68.868 -0.034 0.000 0.865 1498 T HN 0.123 nan 8.240 nan 0.000 0.435 1499 V N 0.928 120.806 119.914 -0.060 0.000 2.287 1499 V HA -0.157 3.959 4.120 -0.007 0.000 0.248 1499 V C 2.130 178.280 176.094 0.092 0.000 1.053 1499 V CA 1.702 64.014 62.300 0.020 0.000 1.027 1499 V CB -0.889 30.879 31.823 -0.091 0.000 0.646 1499 V HN 0.515 nan 8.190 nan 0.000 0.447 1500 F N 0.746 120.694 119.950 -0.003 0.000 2.161 1500 F HA -0.143 4.379 4.527 -0.007 0.000 0.300 1500 F C 2.458 178.260 175.800 0.003 0.000 1.089 1500 F CA 0.876 58.879 58.000 0.005 0.000 1.282 1500 F CB -0.703 38.321 39.000 0.040 0.000 1.010 1500 F HN 0.301 nan 8.300 nan 0.000 0.485 1501 G N 0.933 109.842 108.800 0.181 0.000 2.453 1501 G HA2 -0.239 3.717 3.960 -0.007 0.000 0.215 1501 G HA3 -0.239 3.717 3.960 -0.007 0.000 0.215 1501 G C 1.559 176.463 174.900 0.008 0.000 1.201 1501 G CA 0.970 46.116 45.100 0.076 0.000 0.784 1501 G HN 0.309 nan 8.290 nan 0.000 0.545 1502 I N 0.464 121.004 120.570 -0.052 0.000 2.248 1502 I HA -0.161 4.005 4.170 -0.007 0.000 0.248 1502 I C 2.371 178.375 176.117 -0.187 0.000 1.107 1502 I CA 0.497 61.680 61.300 -0.195 0.000 1.373 1502 I CB -0.233 37.524 38.000 -0.405 0.000 1.055 1502 I HN 0.071 nan 8.210 nan 0.000 0.418 1503 L N 0.352 121.546 121.223 -0.049 0.000 2.275 1503 L HA 0.011 4.347 4.340 -0.007 0.000 0.215 1503 L C 1.682 178.560 176.870 0.013 0.000 1.119 1503 L CA 1.548 56.398 54.840 0.018 0.000 0.790 1503 L CB -1.643 40.496 42.059 0.133 0.000 0.919 1503 L HN 0.521 nan 8.230 nan 0.000 0.443 1504 G N -0.214 108.595 108.800 0.015 0.000 2.167 1504 G HA2 -0.215 3.741 3.960 -0.007 0.000 0.194 1504 G HA3 -0.215 3.741 3.960 -0.007 0.000 0.194 1504 G C 0.165 175.078 174.900 0.022 0.000 1.027 1504 G CA -0.186 44.918 45.100 0.008 0.000 0.717 1504 G HN 0.262 nan 8.290 nan 0.000 0.501 1505 I N 2.022 122.621 120.570 0.049 0.000 2.307 1505 I HA 0.222 4.387 4.170 -0.007 0.000 0.289 1505 I C 0.747 176.881 176.117 0.029 0.000 1.021 1505 I CA -1.062 60.252 61.300 0.023 0.000 1.224 1505 I CB 0.656 38.655 38.000 -0.002 0.000 1.376 1505 I HN 0.383 nan 8.210 nan 0.000 0.470 1506 N N 4.999 123.702 118.700 0.004 0.000 2.263 1506 N HA 0.000 4.736 4.740 -0.007 0.000 0.239 1506 N C 0.585 176.101 175.510 0.010 0.000 1.317 1506 N CA -0.175 52.880 53.050 0.009 0.000 0.909 1506 N CB 0.522 39.006 38.487 -0.004 0.000 1.171 1506 N HN 0.481 nan 8.380 nan 0.000 0.492 1507 E N -0.575 119.635 120.200 0.017 0.000 2.106 1507 E HA -0.195 4.151 4.350 -0.007 0.000 0.192 1507 E C 1.192 177.787 176.600 -0.007 0.000 0.984 1507 E CA 1.313 57.725 56.400 0.021 0.000 0.806 1507 E CB -0.145 29.571 29.700 0.026 0.000 0.750 1507 E HN 0.639 nan 8.360 nan 0.000 0.458 1508 E N 1.281 121.470 120.200 -0.019 0.000 2.038 1508 E HA -0.233 4.113 4.350 -0.007 0.000 0.195 1508 E C 1.949 178.509 176.600 -0.066 0.000 1.000 1508 E CA 1.388 57.767 56.400 -0.034 0.000 0.803 1508 E CB -0.184 29.497 29.700 -0.031 0.000 0.750 1508 E HN 0.291 nan 8.360 nan 0.000 0.448 1509 E N 0.667 120.818 120.200 -0.081 0.000 2.106 1509 E HA -0.224 4.122 4.350 -0.007 0.000 0.192 1509 E C 2.041 178.515 176.600 -0.209 0.000 0.984 1509 E CA 0.853 57.169 56.400 -0.140 0.000 0.806 1509 E CB 0.018 29.646 29.700 -0.120 0.000 0.750 1509 E HN 0.294 nan 8.360 nan 0.000 0.458 1510 Q N -0.359 119.354 119.800 -0.144 0.000 2.181 1510 Q HA -0.162 4.174 4.340 -0.007 0.000 0.205 1510 Q C 2.171 178.102 176.000 -0.114 0.000 0.980 1510 Q CA 0.989 56.701 55.803 -0.153 0.000 0.862 1510 Q CB 0.100 28.852 28.738 0.024 0.000 0.905 1510 Q HN 0.136 nan 8.270 nan 0.000 0.429 1511 R N 0.305 120.753 120.500 -0.086 0.000 2.057 1511 R HA -0.068 4.268 4.340 -0.007 0.000 0.224 1511 R C 2.089 178.324 176.300 -0.108 0.000 1.136 1511 R CA 1.129 57.193 56.100 -0.060 0.000 0.968 1511 R CB -0.715 29.570 30.300 -0.024 0.000 0.863 1511 R HN 0.205 nan 8.270 nan 0.000 0.433 1512 E N 1.563 121.683 120.200 -0.133 0.000 2.086 1512 E HA -0.196 4.150 4.350 -0.007 0.000 0.200 1512 E C 1.595 178.060 176.600 -0.224 0.000 1.012 1512 E CA 1.859 58.173 56.400 -0.142 0.000 0.812 1512 E CB 0.069 29.687 29.700 -0.136 0.000 0.743 1512 E HN 0.238 nan 8.360 nan 0.000 0.453 1513 K N -1.436 118.690 120.400 -0.456 0.000 2.029 1513 K HA 0.014 4.330 4.320 -0.007 0.000 0.205 1513 K C 1.023 177.109 176.600 -0.857 0.000 1.042 1513 K CA 1.238 57.024 56.287 -0.834 0.000 0.949 1513 K CB -0.003 31.532 32.500 -1.608 0.000 0.740 1513 K HN 0.159 nan 8.250 nan 0.000 0.442 1514 F N -0.287 119.517 119.950 -0.243 0.000 2.698 1514 F HA 0.313 4.835 4.527 -0.008 0.000 0.304 1514 F C 1.578 177.090 175.800 -0.481 0.000 1.108 1514 F CA -0.656 57.042 58.000 -0.504 0.000 1.263 1514 F CB -0.175 38.642 39.000 -0.305 0.000 1.013 1514 F HN 0.024 nan 8.300 nan 0.000 0.532 1515 G N 1.710 110.432 108.800 -0.130 0.000 2.547 1515 G HA2 -0.393 3.563 3.960 -0.007 0.000 0.221 1515 G HA3 -0.393 3.563 3.960 -0.007 0.000 0.221 1515 G C 1.617 176.517 174.900 -0.001 0.000 1.140 1515 G CA 1.730 46.821 45.100 -0.017 0.000 0.760 1515 G HN 0.498 nan 8.290 nan 0.000 0.583 1516 F N 0.396 120.385 119.950 0.065 0.000 2.186 1516 F HA 0.144 4.668 4.527 -0.004 0.000 0.299 1516 F C 2.134 177.972 175.800 0.063 0.000 1.090 1516 F CA 0.935 58.965 58.000 0.049 0.000 1.307 1516 F CB -0.808 38.191 39.000 -0.001 0.000 1.019 1516 F HN 0.118 nan 8.300 nan 0.000 0.489 1517 L N 1.079 121.922 121.223 -0.632 0.000 2.005 1517 L HA -0.038 4.297 4.340 -0.007 0.000 0.207 1517 L C 2.183 179.017 176.870 -0.059 0.000 1.072 1517 L CA 1.610 56.270 54.840 -0.299 0.000 0.744 1517 L CB -0.929 40.879 42.059 -0.418 0.000 0.895 1517 L HN 0.261 nan 8.230 nan 0.000 0.433 1518 L N -0.299 120.919 121.223 -0.007 0.000 2.081 1518 L HA -0.247 4.089 4.340 -0.007 0.000 0.212 1518 L C 2.258 179.145 176.870 0.029 0.000 1.080 1518 L CA 1.435 56.305 54.840 0.050 0.000 0.754 1518 L CB -0.913 41.215 42.059 0.115 0.000 0.893 1518 L HN 0.371 nan 8.230 nan 0.000 0.433 1519 D N 0.107 120.544 120.400 0.061 0.000 2.103 1519 D HA -0.115 4.521 4.640 -0.007 0.000 0.199 1519 D C 2.283 178.669 176.300 0.143 0.000 0.978 1519 D CA 1.456 55.515 54.000 0.098 0.000 0.829 1519 D CB -0.091 40.820 40.800 0.184 0.000 0.981 1519 D HN 0.286 nan 8.370 nan 0.000 0.464 1520 A N 1.192 124.129 122.820 0.195 0.000 1.948 1520 A HA -0.153 4.163 4.320 -0.007 0.000 0.220 1520 A C 2.285 179.955 177.584 0.144 0.000 1.177 1520 A CA 0.946 53.128 52.037 0.241 0.000 0.636 1520 A CB -0.918 18.185 19.000 0.171 0.000 0.815 1520 A HN 0.241 nan 8.150 nan 0.000 0.449 1521 L N -1.132 120.120 121.223 0.048 0.000 2.633 1521 L HA -0.109 4.227 4.340 -0.007 0.000 0.235 1521 L C 1.887 178.712 176.870 -0.075 0.000 1.163 1521 L CA 0.889 55.733 54.840 0.007 0.000 0.859 1521 L CB -0.270 41.786 42.059 -0.005 0.000 0.973 1521 L HN 0.396 nan 8.230 nan 0.000 0.451 1522 K N -0.850 119.424 120.400 -0.211 0.000 2.393 1522 K HA 0.025 4.341 4.320 -0.007 0.000 0.193 1522 K C -0.022 176.237 176.600 -0.568 0.000 1.026 1522 K CA 0.356 56.373 56.287 -0.450 0.000 1.064 1522 K CB 0.359 32.444 32.500 -0.691 0.000 0.833 1522 K HN 0.242 nan 8.250 nan 0.000 0.521 1523 Y N 0.564 120.876 120.300 0.020 0.000 2.764 1523 Y HA 0.270 4.816 4.550 -0.006 0.000 0.350 1523 Y C 0.772 176.684 175.900 0.021 0.000 0.982 1523 Y CA -0.581 57.530 58.100 0.019 0.000 1.431 1523 Y CB 0.798 39.267 38.460 0.015 0.000 1.326 1523 Y HN 0.137 nan 8.280 nan 0.000 0.550 1524 G N 0.267 109.127 108.800 0.099 0.000 2.204 1524 G HA2 -0.266 3.690 3.960 -0.007 0.000 0.244 1524 G HA3 -0.266 3.690 3.960 -0.007 0.000 0.244 1524 G C -0.064 174.896 174.900 0.100 0.000 1.062 1524 G CA -0.133 45.026 45.100 0.099 0.000 0.798 1524 G HN 0.307 nan 8.290 nan 0.000 0.496 1525 T N 3.055 117.666 114.554 0.095 0.000 2.792 1525 T HA 0.394 4.740 4.350 -0.007 0.000 0.286 1525 T C -1.059 173.731 174.700 0.149 0.000 0.970 1525 T CA 0.422 62.580 62.100 0.097 0.000 1.187 1525 T CB 1.377 70.324 68.868 0.132 0.000 0.915 1525 T HN 0.480 nan 8.240 nan 0.000 0.529 1526 P HA 0.323 nan 4.420 nan 0.000 0.279 1526 P C -2.811 174.498 177.300 0.014 0.000 1.252 1526 P CA -2.178 60.925 63.100 0.004 0.000 0.811 1526 P CB 0.371 31.855 31.700 -0.359 0.000 1.035 1527 P HA 0.094 nan 4.420 nan 0.000 0.271 1527 P C -0.617 176.627 177.300 -0.093 0.000 1.220 1527 P CA 0.756 63.679 63.100 -0.295 0.000 0.768 1527 P CB 0.274 31.848 31.700 -0.210 0.000 0.848 1528 H N 1.061 119.988 119.070 -0.237 0.000 3.012 1528 H HA 0.814 5.365 4.556 -0.007 0.000 0.367 1528 H C -1.877 173.441 175.328 -0.018 0.000 1.211 1528 H CA -1.258 54.717 56.048 -0.122 0.000 1.139 1528 H CB 1.543 31.238 29.762 -0.111 0.000 1.838 1528 H HN 0.575 nan 8.280 nan 0.000 0.550 1529 A N 0.680 123.541 122.820 0.068 0.000 2.587 1529 A HA 0.854 5.169 4.320 -0.007 0.000 0.293 1529 A C -0.566 177.141 177.584 0.206 0.000 1.087 1529 A CA -0.218 51.879 52.037 0.100 0.000 0.692 1529 A CB 2.022 21.090 19.000 0.114 0.000 1.291 1529 A HN 1.258 nan 8.150 nan 0.000 0.407 1530 G N -0.637 108.313 108.800 0.250 0.000 2.682 1530 G HA2 0.683 4.639 3.960 -0.007 0.000 0.303 1530 G HA3 0.683 4.639 3.960 -0.007 0.000 0.303 1530 G C -1.961 173.111 174.900 0.287 0.000 1.341 1530 G CA -0.341 44.928 45.100 0.283 0.000 0.784 1530 G HN 1.408 nan 8.290 nan 0.000 0.497 1531 L N -0.934 120.425 121.223 0.226 0.000 2.568 1531 L HA 0.890 5.226 4.340 -0.007 0.000 0.257 1531 L C -1.399 175.514 176.870 0.072 0.000 1.024 1531 L CA -0.780 54.137 54.840 0.130 0.000 0.854 1531 L CB 1.633 43.704 42.059 0.020 0.000 1.460 1531 L HN 1.467 nan 8.230 nan 0.000 0.409 1532 A N 2.645 125.471 122.820 0.011 0.000 2.530 1532 A HA 0.648 4.964 4.320 -0.007 0.000 0.279 1532 A C -1.381 176.248 177.584 0.075 0.000 1.109 1532 A CA -0.375 51.720 52.037 0.097 0.000 0.763 1532 A CB 0.408 19.536 19.000 0.213 0.000 1.257 1532 A HN 0.449 nan 8.150 nan 0.000 0.424 1533 F N 1.116 121.173 119.950 0.178 0.000 2.380 1533 F HA 0.521 5.043 4.527 -0.008 0.000 0.325 1533 F C 1.444 177.344 175.800 0.167 0.000 1.136 1533 F CA 0.178 58.266 58.000 0.146 0.000 1.171 1533 F CB 1.327 40.386 39.000 0.099 0.000 1.230 1533 F HN 0.589 nan 8.300 nan 0.000 0.554 1534 G N 2.007 111.022 108.800 0.359 0.000 2.457 1534 G HA2 0.336 4.292 3.960 -0.007 0.000 0.316 1534 G HA3 0.336 4.292 3.960 -0.007 0.000 0.316 1534 G C 0.570 175.593 174.900 0.205 0.000 1.030 1534 G CA -0.375 44.890 45.100 0.275 0.000 1.073 1534 G HN 0.728 nan 8.290 nan 0.000 0.430 1535 L N 2.075 123.418 121.223 0.199 0.000 2.081 1535 L HA -0.128 4.208 4.340 -0.007 0.000 0.212 1535 L C 2.005 178.905 176.870 0.050 0.000 1.080 1535 L CA 2.111 57.010 54.840 0.097 0.000 0.754 1535 L CB -0.169 41.941 42.059 0.085 0.000 0.893 1535 L HN 0.518 nan 8.230 nan 0.000 0.433 1536 D N -0.507 119.941 120.400 0.080 0.000 2.084 1536 D HA -0.204 4.432 4.640 -0.007 0.000 0.194 1536 D C 2.177 178.463 176.300 -0.024 0.000 0.990 1536 D CA 1.612 55.630 54.000 0.031 0.000 0.826 1536 D CB -0.138 40.703 40.800 0.068 0.000 0.971 1536 D HN 0.443 nan 8.370 nan 0.000 0.453 1537 R N 0.508 120.994 120.500 -0.024 0.000 2.091 1537 R HA -0.068 4.268 4.340 -0.007 0.000 0.238 1537 R C 2.691 178.925 176.300 -0.109 0.000 1.136 1537 R CA 0.604 56.638 56.100 -0.111 0.000 0.959 1537 R CB -0.449 29.810 30.300 -0.068 0.000 0.856 1537 R HN 0.201 nan 8.270 nan 0.000 0.437 1538 L N 0.098 121.304 121.223 -0.028 0.000 2.131 1538 L HA -0.184 4.152 4.340 -0.007 0.000 0.210 1538 L C 2.198 179.013 176.870 -0.092 0.000 1.092 1538 L CA 1.324 56.158 54.840 -0.011 0.000 0.759 1538 L CB -0.445 41.592 42.059 -0.037 0.000 0.903 1538 L HN 0.273 nan 8.230 nan 0.000 0.435 1539 T N -0.727 113.765 114.554 -0.103 0.000 2.857 1539 T HA -0.142 4.203 4.350 -0.007 0.000 0.266 1539 T C 1.898 176.521 174.700 -0.128 0.000 1.048 1539 T CA 1.087 63.108 62.100 -0.131 0.000 1.139 1539 T CB -0.098 68.713 68.868 -0.094 0.000 0.874 1539 T HN 0.234 nan 8.240 nan 0.000 0.455 1540 M N 0.346 119.871 119.600 -0.125 0.000 2.149 1540 M HA -0.072 4.404 4.480 -0.007 0.000 0.261 1540 M C 1.787 178.031 176.300 -0.093 0.000 1.064 1540 M CA 1.366 56.587 55.300 -0.132 0.000 1.102 1540 M CB -0.429 32.037 32.600 -0.223 0.000 1.369 1540 M HN 0.177 nan 8.290 nan 0.000 0.408 1541 L N -0.622 120.559 121.223 -0.069 0.000 2.068 1541 L HA -0.101 4.235 4.340 -0.007 0.000 0.204 1541 L C 2.030 178.910 176.870 0.017 0.000 1.076 1541 L CA 1.208 56.126 54.840 0.130 0.000 0.753 1541 L CB -0.995 41.266 42.059 0.335 0.000 0.910 1541 L HN 0.216 nan 8.230 nan 0.000 0.439 1542 L N -0.480 120.564 121.223 -0.299 0.000 2.362 1542 L HA -0.068 4.268 4.340 -0.007 0.000 0.219 1542 L C 1.794 178.521 176.870 -0.238 0.000 1.134 1542 L CA 1.775 56.320 54.840 -0.492 0.000 0.807 1542 L CB -1.823 39.859 42.059 -0.629 0.000 0.927 1542 L HN 0.531 nan 8.230 nan 0.000 0.447 1543 T N -4.315 110.161 114.554 -0.131 0.000 3.182 1543 T HA 0.407 4.753 4.350 -0.007 0.000 0.277 1543 T C 0.991 175.674 174.700 -0.028 0.000 1.013 1543 T CA 0.047 62.097 62.100 -0.084 0.000 0.900 1543 T CB 0.090 68.903 68.868 -0.093 0.000 1.098 1543 T HN 0.317 nan 8.240 nan 0.000 0.543 1544 G N 1.850 110.665 108.800 0.024 0.000 2.296 1544 G HA2 -0.055 3.901 3.960 -0.007 0.000 0.263 1544 G HA3 -0.055 3.901 3.960 -0.007 0.000 0.263 1544 G C -0.188 174.720 174.900 0.013 0.000 0.887 1544 G CA 0.218 45.344 45.100 0.043 0.000 1.318 1544 G HN 0.906 nan 8.290 nan 0.000 0.403 1545 T N 0.139 114.701 114.554 0.012 0.000 2.932 1545 T HA 0.536 4.882 4.350 -0.007 0.000 0.318 1545 T C 0.043 174.760 174.700 0.028 0.000 1.265 1545 T CA -0.118 61.986 62.100 0.007 0.000 1.036 1545 T CB 1.914 70.772 68.868 -0.016 0.000 1.209 1545 T HN 0.381 nan 8.240 nan 0.000 0.484 1546 D N -0.116 120.320 120.400 0.059 0.000 2.440 1546 D HA 0.122 4.758 4.640 -0.007 0.000 0.216 1546 D C 0.066 176.428 176.300 0.103 0.000 1.150 1546 D CA -0.262 53.816 54.000 0.131 0.000 0.832 1546 D CB 0.117 40.995 40.800 0.131 0.000 0.992 1546 D HN 0.343 nan 8.370 nan 0.000 0.502 1547 N N 1.052 119.780 118.700 0.048 0.000 2.573 1547 N HA 0.164 4.899 4.740 -0.007 0.000 0.262 1547 N C 0.555 176.072 175.510 0.012 0.000 1.029 1547 N CA -0.642 52.431 53.050 0.037 0.000 0.882 1547 N CB 1.078 39.581 38.487 0.026 0.000 1.204 1547 N HN 0.012 nan 8.380 nan 0.000 0.519 1548 I N 3.008 123.588 120.570 0.017 0.000 2.300 1548 I HA -0.312 3.854 4.170 -0.007 0.000 0.252 1548 I C 1.626 177.744 176.117 0.001 0.000 1.119 1548 I CA 1.359 62.661 61.300 0.002 0.000 1.384 1548 I CB 0.214 38.224 38.000 0.017 0.000 1.062 1548 I HN 0.527 nan 8.210 nan 0.000 0.426 1549 R N 0.395 120.899 120.500 0.007 0.000 2.200 1549 R HA -0.173 4.163 4.340 -0.007 0.000 0.234 1549 R C 1.203 177.487 176.300 -0.027 0.000 1.127 1549 R CA 1.436 57.535 56.100 -0.002 0.000 0.989 1549 R CB -0.433 29.870 30.300 0.005 0.000 0.869 1549 R HN 0.492 nan 8.270 nan 0.000 0.459 1550 D N -0.198 120.184 120.400 -0.029 0.000 2.355 1550 D HA -0.054 4.581 4.640 -0.007 0.000 0.218 1550 D C 1.531 177.796 176.300 -0.060 0.000 1.004 1550 D CA 0.652 54.624 54.000 -0.046 0.000 0.880 1550 D CB 0.464 41.242 40.800 -0.037 0.000 0.911 1550 D HN 0.197 nan 8.370 nan 0.000 0.528 1551 V N -2.014 117.869 119.914 -0.052 0.000 3.578 1551 V HA 0.356 4.472 4.120 -0.007 0.000 0.290 1551 V C 0.531 176.592 176.094 -0.054 0.000 1.376 1551 V CA -0.263 62.002 62.300 -0.058 0.000 1.083 1551 V CB -0.091 31.700 31.823 -0.054 0.000 0.911 1551 V HN -0.123 nan 8.190 nan 0.000 0.433 1552 I N 0.974 121.510 120.570 -0.056 0.000 2.406 1552 I HA 0.652 4.818 4.170 -0.007 0.000 0.290 1552 I C 1.570 177.612 176.117 -0.125 0.000 0.999 1552 I CA -0.247 61.022 61.300 -0.051 0.000 1.124 1552 I CB 1.939 39.937 38.000 -0.004 0.000 1.289 1552 I HN 0.078 nan 8.210 nan 0.000 0.441 1553 A N 6.254 128.969 122.820 -0.176 0.000 1.892 1553 A HA -0.109 4.207 4.320 -0.007 0.000 0.218 1553 A C 0.697 177.795 177.584 -0.811 0.000 1.188 1553 A CA 1.819 53.565 52.037 -0.485 0.000 0.631 1553 A CB -0.241 18.502 19.000 -0.429 0.000 0.822 1553 A HN 0.587 nan 8.150 nan 0.000 0.447 1554 F N 0.656 120.612 119.950 0.011 0.000 2.686 1554 F HA 0.334 4.855 4.527 -0.010 0.000 0.365 1554 F C -2.230 173.577 175.800 0.012 0.000 1.196 1554 F CA -2.571 55.436 58.000 0.013 0.000 1.198 1554 F CB 0.993 40.003 39.000 0.018 0.000 1.454 1554 F HN 0.075 nan 8.300 nan 0.000 0.539 1555 P HA 0.179 nan 4.420 nan 0.000 0.273 1555 P C -0.582 176.769 177.300 0.084 0.000 1.250 1555 P CA -0.385 62.760 63.100 0.075 0.000 0.793 1555 P CB 1.411 33.131 31.700 0.033 0.000 1.011 1556 K N 0.222 120.666 120.400 0.073 0.000 2.156 1556 K HA 0.372 4.688 4.320 -0.007 0.000 0.250 1556 K C 0.615 177.251 176.600 0.060 0.000 0.955 1556 K CA -0.411 55.917 56.287 0.069 0.000 0.855 1556 K CB 1.308 33.855 32.500 0.079 0.000 1.101 1556 K HN 0.561 nan 8.250 nan 0.000 0.434 1557 T N -2.549 112.036 114.554 0.053 0.000 2.754 1557 T HA 0.014 4.360 4.350 -0.007 0.000 0.286 1557 T C 1.418 176.151 174.700 0.056 0.000 0.997 1557 T CA -0.059 62.068 62.100 0.046 0.000 0.982 1557 T CB 0.270 69.160 68.868 0.037 0.000 1.027 1557 T HN 0.639 nan 8.240 nan 0.000 0.529 1558 T N -2.477 112.108 114.554 0.051 0.000 3.155 1558 T HA 0.131 4.477 4.350 -0.007 0.000 0.264 1558 T C 1.347 176.085 174.700 0.063 0.000 1.160 1558 T CA 0.348 62.482 62.100 0.056 0.000 1.075 1558 T CB -0.532 68.365 68.868 0.047 0.000 0.921 1558 T HN 0.873 nan 8.240 nan 0.000 0.533 1559 A N 0.285 123.142 122.820 0.061 0.000 2.610 1559 A HA 0.810 5.126 4.320 -0.007 0.000 0.286 1559 A C 1.515 179.147 177.584 0.081 0.000 1.306 1559 A CA 0.163 52.239 52.037 0.065 0.000 0.942 1559 A CB -0.833 18.197 19.000 0.050 0.000 1.112 1559 A HN 1.364 nan 8.150 nan 0.000 0.527 1560 A N -1.885 120.993 122.820 0.095 0.000 2.798 1560 A HA 0.025 4.341 4.320 -0.007 0.000 0.282 1560 A C 0.859 178.490 177.584 0.078 0.000 1.464 1560 A CA 1.247 53.352 52.037 0.113 0.000 0.844 1560 A CB -2.071 17.033 19.000 0.172 0.000 1.006 1560 A HN 2.174 nan 8.150 nan 0.000 0.577 1561 A N -1.577 121.277 122.820 0.057 0.000 2.311 1561 A HA 0.664 4.980 4.320 -0.007 0.000 0.334 1561 A C 0.229 177.832 177.584 0.032 0.000 1.139 1561 A CA 0.159 52.218 52.037 0.035 0.000 0.830 1561 A CB 1.281 20.294 19.000 0.021 0.000 1.234 1561 A HN 1.801 nan 8.150 nan 0.000 0.483 1562 C N 3.661 122.971 119.300 0.017 0.000 2.294 1562 C HA 0.508 4.964 4.460 -0.007 0.000 0.319 1562 C C 1.162 176.150 174.990 -0.004 0.000 1.164 1562 C CA -0.680 58.350 59.018 0.021 0.000 1.497 1562 C CB -1.363 26.387 27.740 0.017 0.000 2.061 1562 C HN 0.774 nan 8.230 nan 0.000 0.438 1563 L N 5.124 126.342 121.223 -0.008 0.000 2.017 1563 L HA -0.107 4.229 4.340 -0.007 0.000 0.208 1563 L C 2.438 179.264 176.870 -0.074 0.000 1.073 1563 L CA 1.868 56.682 54.840 -0.042 0.000 0.745 1563 L CB -1.211 40.820 42.059 -0.048 0.000 0.894 1563 L HN 0.804 nan 8.230 nan 0.000 0.432 1564 M N -0.322 119.243 119.600 -0.057 0.000 2.089 1564 M HA -0.268 4.208 4.480 -0.007 0.000 0.257 1564 M C 1.837 178.105 176.300 -0.054 0.000 1.071 1564 M CA 2.618 57.879 55.300 -0.065 0.000 1.096 1564 M CB -0.156 32.474 32.600 0.050 0.000 1.330 1564 M HN 0.472 nan 8.290 nan 0.000 0.403 1565 T N -3.516 111.011 114.554 -0.045 0.000 3.022 1565 T HA 0.194 4.540 4.350 -0.007 0.000 0.250 1565 T C 0.150 174.818 174.700 -0.054 0.000 1.060 1565 T CA 0.201 62.269 62.100 -0.054 0.000 1.013 1565 T CB -0.040 68.787 68.868 -0.069 0.000 0.982 1565 T HN 0.610 nan 8.240 nan 0.000 0.508 1566 E N 0.799 120.967 120.200 -0.052 0.000 2.264 1566 E HA -0.214 4.132 4.350 -0.007 0.000 0.223 1566 E C 1.153 177.721 176.600 -0.054 0.000 1.220 1566 E CA -0.042 56.324 56.400 -0.057 0.000 0.692 1566 E CB -1.746 27.914 29.700 -0.067 0.000 1.203 1566 E HN 0.639 nan 8.360 nan 0.000 0.384 1567 A N 0.988 123.785 122.820 -0.038 0.000 1.953 1567 A HA -0.138 4.178 4.320 -0.007 0.000 0.212 1567 A C -1.222 176.345 177.584 -0.027 0.000 1.250 1567 A CA 1.238 53.257 52.037 -0.029 0.000 0.726 1567 A CB -1.305 17.687 19.000 -0.014 0.000 0.837 1567 A HN 0.274 nan 8.150 nan 0.000 0.481 1568 P HA 0.175 nan 4.420 nan 0.000 0.257 1568 P C -0.652 176.616 177.300 -0.053 0.000 1.189 1568 P CA 0.741 63.838 63.100 -0.005 0.000 0.780 1568 P CB 0.469 32.181 31.700 0.019 0.000 0.772 1569 S N 2.667 118.347 115.700 -0.033 0.000 2.569 1569 S HA 0.548 5.014 4.470 -0.007 0.000 0.280 1569 S C -0.421 174.219 174.600 0.067 0.000 1.111 1569 S CA -0.999 57.145 58.200 -0.094 0.000 0.887 1569 S CB 0.845 64.002 63.200 -0.072 0.000 1.095 1569 S HN 0.163 nan 8.310 nan 0.000 0.476 1570 F N 1.359 121.318 119.950 0.015 0.000 2.602 1570 F HA 0.386 4.909 4.527 -0.007 0.000 0.367 1570 F C 1.339 177.147 175.800 0.013 0.000 1.126 1570 F CA -0.168 57.842 58.000 0.017 0.000 1.321 1570 F CB 0.504 39.514 39.000 0.015 0.000 1.094 1570 F HN 0.865 nan 8.300 nan 0.000 0.594 1571 A N 3.325 126.274 122.820 0.215 0.000 2.316 1571 A HA 0.182 4.498 4.320 -0.007 0.000 0.284 1571 A C -0.084 177.547 177.584 0.077 0.000 1.115 1571 A CA -0.816 51.288 52.037 0.112 0.000 0.812 1571 A CB 0.455 19.503 19.000 0.080 0.000 1.064 1571 A HN 0.741 nan 8.150 nan 0.000 0.489 1572 N N 2.436 121.169 118.700 0.054 0.000 2.468 1572 N HA 0.052 4.788 4.740 -0.007 0.000 0.265 1572 N C -1.369 174.153 175.510 0.021 0.000 1.199 1572 N CA -1.569 51.502 53.050 0.036 0.000 0.928 1572 N CB 0.988 39.489 38.487 0.024 0.000 1.059 1572 N HN 0.327 nan 8.380 nan 0.000 0.467 1573 P HA -0.198 nan 4.420 nan 0.000 0.216 1573 P C 1.130 178.430 177.300 0.000 0.000 1.150 1573 P CA 1.714 64.814 63.100 0.000 0.000 0.843 1573 P CB -0.087 31.610 31.700 -0.006 0.000 0.787 1574 T N -2.315 112.240 114.554 0.001 0.000 2.867 1574 T HA 0.006 4.352 4.350 -0.007 0.000 0.268 1574 T C 2.096 176.794 174.700 -0.003 0.000 1.057 1574 T CA 1.230 63.328 62.100 -0.002 0.000 1.136 1574 T CB -1.034 67.832 68.868 -0.003 0.000 0.874 1574 T HN 0.046 nan 8.240 nan 0.000 0.466 1575 A N 1.639 124.460 122.820 0.002 0.000 1.933 1575 A HA 0.193 4.509 4.320 -0.007 0.000 0.218 1575 A C 2.474 180.059 177.584 0.002 0.000 1.175 1575 A CA 1.290 53.328 52.037 0.002 0.000 0.628 1575 A CB -0.819 18.187 19.000 0.009 0.000 0.814 1575 A HN 0.563 nan 8.150 nan 0.000 0.444 1576 L N -1.011 120.216 121.223 0.006 0.000 2.109 1576 L HA -0.132 4.204 4.340 -0.007 0.000 0.207 1576 L C 3.099 179.968 176.870 -0.002 0.000 1.086 1576 L CA 0.886 55.730 54.840 0.008 0.000 0.760 1576 L CB -0.669 41.397 42.059 0.012 0.000 0.910 1576 L HN 0.442 nan 8.230 nan 0.000 0.437 1577 A N 0.082 122.899 122.820 -0.005 0.000 1.883 1577 A HA -0.252 4.064 4.320 -0.007 0.000 0.217 1577 A C 2.170 179.744 177.584 -0.016 0.000 1.186 1577 A CA 1.754 53.786 52.037 -0.009 0.000 0.624 1577 A CB -0.519 18.475 19.000 -0.009 0.000 0.822 1577 A HN 0.412 nan 8.150 nan 0.000 0.444 1578 E N -0.615 119.575 120.200 -0.018 0.000 2.209 1578 E HA -0.107 4.238 4.350 -0.007 0.000 0.196 1578 E C 1.153 177.732 176.600 -0.036 0.000 0.993 1578 E CA 0.766 57.151 56.400 -0.026 0.000 0.819 1578 E CB -0.169 29.516 29.700 -0.024 0.000 0.745 1578 E HN 0.641 nan 8.360 nan 0.000 0.477 1579 L N 0.119 121.323 121.223 -0.033 0.000 2.653 1579 L HA 0.114 4.450 4.340 -0.007 0.000 0.231 1579 L C 0.465 177.303 176.870 -0.054 0.000 1.153 1579 L CA -0.260 54.548 54.840 -0.053 0.000 0.933 1579 L CB 0.250 42.283 42.059 -0.043 0.000 1.175 1579 L HN -0.107 nan 8.230 nan 0.000 0.473 1580 S N 0.935 116.615 115.700 -0.034 0.000 3.486 1580 S HA -0.180 4.286 4.470 -0.007 0.000 0.371 1580 S C 0.077 174.675 174.600 -0.003 0.000 1.001 1580 S CA 0.761 58.948 58.200 -0.021 0.000 1.164 1580 S CB -1.256 61.925 63.200 -0.032 0.000 0.911 1580 S HN 0.395 nan 8.310 nan 0.000 0.472 1581 I N 0.453 121.028 120.570 0.008 0.000 2.802 1581 I HA 0.446 4.612 4.170 -0.007 0.000 0.298 1581 I C -0.460 175.677 176.117 0.032 0.000 1.176 1581 I CA -0.683 60.642 61.300 0.041 0.000 1.025 1581 I CB 2.158 40.199 38.000 0.069 0.000 1.243 1581 I HN 0.358 nan 8.210 nan 0.000 0.424 1582 Q N 4.126 123.949 119.800 0.038 0.000 2.462 1582 Q HA 0.628 4.963 4.340 -0.007 0.000 0.285 1582 Q C -1.844 174.168 176.000 0.020 0.000 1.035 1582 Q CA -0.953 54.860 55.803 0.018 0.000 0.799 1582 Q CB 2.507 31.248 28.738 0.005 0.000 1.452 1582 Q HN 0.283 nan 8.270 nan 0.000 0.404 1583 V N 1.822 121.734 119.914 -0.004 0.000 2.498 1583 V HA 0.209 4.325 4.120 -0.007 0.000 0.279 1583 V C 0.456 176.540 176.094 -0.018 0.000 1.048 1583 V CA -0.687 61.606 62.300 -0.012 0.000 0.967 1583 V CB 1.154 32.946 31.823 -0.052 0.000 0.988 1583 V HN 0.657 nan 8.190 nan 0.000 0.473 1584 V N 3.404 123.314 119.914 -0.006 0.000 2.493 1584 V HA 0.217 4.333 4.120 -0.007 0.000 0.292 1584 V C 0.592 176.675 176.094 -0.018 0.000 1.016 1584 V CA -0.505 61.790 62.300 -0.007 0.000 1.097 1584 V CB -0.703 31.119 31.823 -0.000 0.000 0.947 1584 V HN 0.838 nan 8.190 nan 0.000 0.479 1585 K N 0.000 120.388 120.400 -0.021 0.000 2.780 1585 K HA 0.000 4.316 4.320 -0.007 0.000 0.191 1585 K CA 0.000 56.272 56.287 -0.026 0.000 0.838 1585 K CB 0.000 32.486 32.500 -0.023 0.000 1.064 1585 K HN 0.000 nan 8.250 nan 0.000 0.543