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 2vg5_1_B DATA FIRST_RESID 1005 DATA SEQUENCE IETVPVKLKP GMDGPKVKQW PLTEEKIKAL VEICTEMEKE GKISKIGPEN DATA SEQUENCE PYNTPVFAIK KKDSTKWRKL VDFRELNKRT QDFWEVQLGI PHPAGLKKKK DATA SEQUENCE SVTVLDVGDA YFSVPLDEDF RKYTAFTIPS INNETPGIRY QYNVLPQGWK DATA SEQUENCE GSPAIFQSSM TKILEPFKKQ NPDIVIYQYM DDLYVGSDLE IGQHRTKIEE DATA SEQUENCE LRQHLLRWGL XXXXXXXXXX XXXXXMGYEL HPDKWTVQPI VLPEKDSWTV DATA SEQUENCE NDIQKLVGKL NWASQIYPGI KVRQLCKLXX XTKALTEVIP LTEEAELELA DATA SEQUENCE ENREILKEPV HGVYYDPSKD LIAEIQKQGQ GQWTYQIYQE PFKNLKTGKY DATA SEQUENCE AXXXXXHTND VKQLTEAVQK ITTESIVIWG KTPKFKLPIQ KETWETWWTE DATA SEQUENCE YWQATWIPEW EFVNTPPLVK LWYQ 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 1005 I HA 0.000 nan 4.170 nan 0.000 0.288 1005 I C 0.000 176.164 176.117 0.078 0.000 1.063 1005 I CA 0.000 61.348 61.300 0.080 0.000 1.566 1005 I CB 0.000 38.039 38.000 0.065 0.000 1.214 1006 E N 4.324 124.566 120.200 0.070 0.000 2.383 1006 E HA 0.070 4.419 4.350 -0.002 0.000 0.257 1006 E C -0.130 176.517 176.600 0.079 0.000 1.079 1006 E CA 0.375 56.814 56.400 0.065 0.000 0.934 1006 E CB 0.282 30.014 29.700 0.052 0.000 0.978 1006 E HN 0.326 nan 8.360 nan 0.000 0.462 1007 T N 1.458 116.062 114.554 0.083 0.000 2.837 1007 T HA 0.418 4.767 4.350 -0.002 0.000 0.285 1007 T C -0.087 174.669 174.700 0.094 0.000 0.984 1007 T CA -1.008 61.151 62.100 0.098 0.000 1.049 1007 T CB 1.190 70.119 68.868 0.101 0.000 0.947 1007 T HN 0.184 nan 8.240 nan 0.000 0.472 1008 V N 6.090 126.070 119.914 0.110 0.000 2.389 1008 V HA 0.268 4.387 4.120 -0.002 0.000 0.264 1008 V C -1.996 174.174 176.094 0.127 0.000 1.049 1008 V CA -1.804 60.570 62.300 0.124 0.000 0.932 1008 V CB 0.438 32.356 31.823 0.159 0.000 1.011 1008 V HN 0.814 nan 8.190 nan 0.000 0.475 1009 P HA 0.026 nan 4.420 nan 0.000 0.257 1009 P C -0.175 177.178 177.300 0.089 0.000 1.359 1009 P CA 0.237 63.395 63.100 0.097 0.000 1.239 1009 P CB -0.179 31.578 31.700 0.095 0.000 1.549 1010 V N 4.370 124.241 119.914 -0.070 0.000 2.521 1010 V HA 0.108 4.227 4.120 -0.002 0.000 0.286 1010 V C 0.820 176.757 176.094 -0.262 0.000 1.034 1010 V CA 0.309 62.338 62.300 -0.450 0.000 1.045 1010 V CB 0.509 31.658 31.823 -1.122 0.000 0.974 1010 V HN 0.375 nan 8.190 nan 0.000 0.480 1011 K N 6.017 126.320 120.400 -0.162 0.000 2.545 1011 K HA 0.407 4.726 4.320 -0.002 0.000 0.252 1011 K C -0.718 175.899 176.600 0.030 0.000 0.948 1011 K CA -0.693 55.611 56.287 0.028 0.000 0.827 1011 K CB 1.831 34.390 32.500 0.097 0.000 1.128 1011 K HN 0.652 nan 8.250 nan 0.000 0.429 1012 L N 3.062 124.323 121.223 0.064 0.000 2.473 1012 L HA 0.021 4.359 4.340 -0.002 0.000 0.280 1012 L C 0.668 177.558 176.870 0.033 0.000 1.266 1012 L CA 0.542 55.391 54.840 0.015 0.000 0.824 1012 L CB 0.412 42.384 42.059 -0.144 0.000 1.091 1012 L HN 0.614 nan 8.230 nan 0.000 0.534 1013 K N 2.026 122.442 120.400 0.027 0.000 2.380 1013 K HA 0.128 4.447 4.320 -0.002 0.000 0.267 1013 K C -2.239 174.377 176.600 0.026 0.000 0.990 1013 K CA -1.307 55.000 56.287 0.033 0.000 0.946 1013 K CB -0.051 32.467 32.500 0.030 0.000 0.937 1013 K HN 0.349 nan 8.250 nan 0.000 0.491 1014 P HA -0.019 nan 4.420 nan 0.000 0.264 1014 P C 0.516 177.831 177.300 0.026 0.000 1.229 1014 P CA 0.685 63.802 63.100 0.028 0.000 0.780 1014 P CB 0.590 32.304 31.700 0.023 0.000 0.808 1015 G N 3.017 111.836 108.800 0.031 0.000 3.079 1015 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.214 1015 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.214 1015 G C 0.215 175.134 174.900 0.031 0.000 1.335 1015 G CA -0.161 44.958 45.100 0.031 0.000 0.822 1015 G HN 0.458 nan 8.290 nan 0.000 0.545 1016 M N 1.603 121.216 119.600 0.022 0.000 2.243 1016 M HA 0.536 5.015 4.480 -0.002 0.000 0.309 1016 M C 0.083 176.385 176.300 0.002 0.000 1.050 1016 M CA 0.332 55.641 55.300 0.016 0.000 1.139 1016 M CB -0.108 32.498 32.600 0.010 0.000 1.457 1016 M HN 0.423 nan 8.290 nan 0.000 0.440 1017 D N -0.447 119.958 120.400 0.009 0.000 2.477 1017 D HA 0.644 5.283 4.640 -0.002 0.000 0.234 1017 D C -0.026 176.253 176.300 -0.035 0.000 1.048 1017 D CA -0.066 53.950 54.000 0.027 0.000 0.959 1017 D CB 1.582 42.458 40.800 0.126 0.000 1.408 1017 D HN 0.749 nan 8.370 nan 0.000 0.496 1018 G N 0.851 109.613 108.800 -0.065 0.000 2.825 1018 G HA2 0.203 4.162 3.960 -0.002 0.000 0.241 1018 G HA3 0.203 4.162 3.960 -0.002 0.000 0.241 1018 G C -2.148 172.798 174.900 0.077 0.000 1.239 1018 G CA -0.626 44.345 45.100 -0.214 0.000 0.859 1018 G HN 0.445 nan 8.290 nan 0.000 0.598 1019 P HA 0.293 nan 4.420 nan 0.000 0.279 1019 P C -0.866 176.565 177.300 0.218 0.000 1.239 1019 P CA -0.256 62.927 63.100 0.139 0.000 0.789 1019 P CB 1.232 33.008 31.700 0.126 0.000 0.933 1020 K N 1.696 122.183 120.400 0.145 0.000 3.146 1020 K HA 0.325 4.644 4.320 -0.002 0.000 0.168 1020 K C -0.796 175.824 176.600 0.033 0.000 1.075 1020 K CA -0.470 55.879 56.287 0.102 0.000 0.843 1020 K CB 1.074 33.624 32.500 0.082 0.000 1.002 1020 K HN 0.201 nan 8.250 nan 0.000 0.597 1021 V N 1.741 121.668 119.914 0.022 0.000 2.439 1021 V HA 0.214 4.333 4.120 -0.002 0.000 0.282 1021 V C 0.224 176.244 176.094 -0.124 0.000 1.039 1021 V CA -0.919 61.349 62.300 -0.053 0.000 0.913 1021 V CB 1.277 33.087 31.823 -0.022 0.000 0.983 1021 V HN 0.327 nan 8.190 nan 0.000 0.460 1022 K N 2.572 122.836 120.400 -0.227 0.000 2.414 1022 K HA 0.186 4.505 4.320 -0.002 0.000 0.272 1022 K C 0.054 176.453 176.600 -0.335 0.000 0.993 1022 K CA -0.016 56.113 56.287 -0.264 0.000 0.964 1022 K CB 0.135 32.452 32.500 -0.305 0.000 0.925 1022 K HN 0.655 nan 8.250 nan 0.000 0.487 1023 Q N 2.322 121.995 119.800 -0.212 0.000 2.293 1023 Q HA 0.054 4.393 4.340 -0.002 0.000 0.263 1023 Q C -1.014 174.895 176.000 -0.151 0.000 1.002 1023 Q CA 0.030 55.739 55.803 -0.156 0.000 0.910 1023 Q CB 0.438 29.124 28.738 -0.086 0.000 1.185 1023 Q HN 0.399 nan 8.270 nan 0.000 0.401 1024 W N 5.593 126.842 121.300 -0.086 0.000 2.181 1024 W HA 0.180 4.839 4.660 -0.002 0.000 0.335 1024 W C -1.974 174.512 176.519 -0.055 0.000 1.310 1024 W CA -1.833 55.508 57.345 -0.007 0.000 1.226 1024 W CB 0.381 29.926 29.460 0.141 0.000 1.155 1024 W HN 0.569 nan 8.180 nan 0.000 0.565 1025 P HA 0.019 nan 4.420 nan 0.000 0.267 1025 P C -0.455 176.874 177.300 0.050 0.000 1.209 1025 P CA 0.065 63.211 63.100 0.075 0.000 0.763 1025 P CB 0.357 32.094 31.700 0.061 0.000 0.816 1026 L N 3.085 124.300 121.223 -0.013 0.000 2.334 1026 L HA 0.467 4.806 4.340 -0.002 0.000 0.272 1026 L C 1.069 177.889 176.870 -0.084 0.000 1.020 1026 L CA -0.313 54.495 54.840 -0.054 0.000 0.812 1026 L CB 0.969 42.976 42.059 -0.087 0.000 1.264 1026 L HN 0.352 nan 8.230 nan 0.000 0.439 1027 T N -2.390 112.094 114.554 -0.115 0.000 2.860 1027 T HA 0.109 4.458 4.350 -0.002 0.000 0.299 1027 T C 1.044 175.671 174.700 -0.121 0.000 1.045 1027 T CA -0.213 61.818 62.100 -0.116 0.000 1.071 1027 T CB 0.555 69.347 68.868 -0.126 0.000 0.985 1027 T HN 0.715 nan 8.240 nan 0.000 0.537 1028 E N 0.867 121.010 120.200 -0.095 0.000 2.086 1028 E HA -0.311 4.038 4.350 -0.002 0.000 0.200 1028 E C 1.964 178.486 176.600 -0.130 0.000 1.012 1028 E CA 2.116 58.461 56.400 -0.092 0.000 0.812 1028 E CB -0.139 29.524 29.700 -0.061 0.000 0.743 1028 E HN 0.947 nan 8.360 nan 0.000 0.453 1029 E N 0.408 120.524 120.200 -0.141 0.000 2.106 1029 E HA -0.199 4.150 4.350 -0.002 0.000 0.192 1029 E C 1.965 178.308 176.600 -0.428 0.000 0.984 1029 E CA 1.102 57.389 56.400 -0.189 0.000 0.806 1029 E CB -0.167 29.488 29.700 -0.075 0.000 0.750 1029 E HN 0.176 nan 8.360 nan 0.000 0.458 1030 K N 0.743 120.861 120.400 -0.471 0.000 2.097 1030 K HA -0.035 4.284 4.320 -0.002 0.000 0.205 1030 K C 2.267 178.618 176.600 -0.415 0.000 1.050 1030 K CA 1.382 57.291 56.287 -0.630 0.000 0.938 1030 K CB -0.163 32.079 32.500 -0.429 0.000 0.718 1030 K HN 0.217 nan 8.250 nan 0.000 0.442 1031 I N 1.714 122.126 120.570 -0.263 0.000 2.076 1031 I HA -0.312 3.857 4.170 -0.002 0.000 0.237 1031 I C 2.192 178.205 176.117 -0.174 0.000 1.059 1031 I CA 1.264 62.459 61.300 -0.174 0.000 1.317 1031 I CB -0.450 37.479 38.000 -0.118 0.000 1.037 1031 I HN 0.100 nan 8.210 nan 0.000 0.398 1032 K N 1.225 121.522 120.400 -0.172 0.000 2.077 1032 K HA -0.260 4.059 4.320 -0.002 0.000 0.213 1032 K C 2.196 178.691 176.600 -0.176 0.000 1.051 1032 K CA 1.976 58.178 56.287 -0.140 0.000 0.929 1032 K CB -0.856 31.573 32.500 -0.118 0.000 0.715 1032 K HN 0.432 nan 8.250 nan 0.000 0.451 1033 A N 1.616 124.239 122.820 -0.328 0.000 1.865 1033 A HA -0.154 4.165 4.320 -0.002 0.000 0.217 1033 A C 2.437 179.891 177.584 -0.217 0.000 1.191 1033 A CA 1.538 53.344 52.037 -0.386 0.000 0.623 1033 A CB -0.731 17.669 19.000 -0.999 0.000 0.826 1033 A HN 0.218 nan 8.150 nan 0.000 0.444 1034 L N 0.042 121.136 121.223 -0.216 0.000 2.046 1034 L HA -0.166 4.173 4.340 -0.002 0.000 0.208 1034 L C 2.731 179.561 176.870 -0.067 0.000 1.077 1034 L CA 1.544 56.313 54.840 -0.118 0.000 0.747 1034 L CB -0.871 41.130 42.059 -0.097 0.000 0.896 1034 L HN 0.480 nan 8.230 nan 0.000 0.432 1035 V N -1.741 118.140 119.914 -0.055 0.000 2.490 1035 V HA -0.276 3.843 4.120 -0.002 0.000 0.250 1035 V C 2.217 178.296 176.094 -0.026 0.000 1.061 1035 V CA 2.132 64.424 62.300 -0.013 0.000 1.064 1035 V CB -0.597 31.219 31.823 -0.012 0.000 0.670 1035 V HN 0.612 nan 8.190 nan 0.000 0.461 1036 E N 0.365 120.539 120.200 -0.043 0.000 2.016 1036 E HA -0.191 4.158 4.350 -0.002 0.000 0.190 1036 E C 2.114 178.688 176.600 -0.043 0.000 0.985 1036 E CA 1.761 58.141 56.400 -0.032 0.000 0.802 1036 E CB -0.318 29.370 29.700 -0.019 0.000 0.762 1036 E HN 0.569 nan 8.360 nan 0.000 0.448 1037 I N 1.064 121.605 120.570 -0.048 0.000 2.185 1037 I HA -0.387 3.782 4.170 -0.002 0.000 0.246 1037 I C 2.529 178.575 176.117 -0.119 0.000 1.088 1037 I CA 1.212 62.476 61.300 -0.061 0.000 1.347 1037 I CB -0.340 37.633 38.000 -0.045 0.000 1.041 1037 I HN 0.385 nan 8.210 nan 0.000 0.415 1038 C N -0.789 118.421 119.300 -0.151 0.000 2.475 1038 C HA -0.096 4.363 4.460 -0.002 0.000 0.279 1038 C C 2.911 177.756 174.990 -0.243 0.000 1.322 1038 C CA 1.264 60.100 59.018 -0.303 0.000 1.734 1038 C CB -1.067 26.400 27.740 -0.455 0.000 2.005 1038 C HN 0.504 nan 8.230 nan 0.000 0.495 1039 T N 0.546 115.042 114.554 -0.097 0.000 2.720 1039 T HA -0.170 4.179 4.350 -0.002 0.000 0.268 1039 T C 1.806 176.471 174.700 -0.058 0.000 1.037 1039 T CA 1.377 63.457 62.100 -0.034 0.000 1.144 1039 T CB -0.249 68.615 68.868 -0.006 0.000 0.864 1039 T HN 0.547 nan 8.240 nan 0.000 0.444 1040 E N 0.780 120.935 120.200 -0.075 0.000 2.031 1040 E HA -0.051 4.298 4.350 -0.002 0.000 0.193 1040 E C 2.295 178.828 176.600 -0.113 0.000 0.994 1040 E CA 1.039 57.393 56.400 -0.077 0.000 0.800 1040 E CB -0.319 29.339 29.700 -0.070 0.000 0.752 1040 E HN 0.522 nan 8.360 nan 0.000 0.447 1041 M N 0.440 119.938 119.600 -0.169 0.000 2.108 1041 M HA -0.225 4.254 4.480 -0.002 0.000 0.261 1041 M C 2.294 178.486 176.300 -0.180 0.000 1.066 1041 M CA 1.968 57.131 55.300 -0.229 0.000 1.107 1041 M CB -0.439 31.976 32.600 -0.309 0.000 1.356 1041 M HN 0.127 nan 8.290 nan 0.000 0.406 1042 E N 0.574 120.686 120.200 -0.148 0.000 2.112 1042 E HA -0.214 4.135 4.350 -0.002 0.000 0.190 1042 E C 1.815 178.395 176.600 -0.035 0.000 0.979 1042 E CA 1.248 57.609 56.400 -0.065 0.000 0.814 1042 E CB -0.354 29.360 29.700 0.024 0.000 0.762 1042 E HN 0.288 nan 8.360 nan 0.000 0.460 1043 K N 2.287 122.665 120.400 -0.036 0.000 2.032 1043 K HA -0.275 4.044 4.320 -0.002 0.000 0.218 1043 K C 1.740 178.323 176.600 -0.029 0.000 1.054 1043 K CA 2.438 58.709 56.287 -0.026 0.000 0.941 1043 K CB -0.458 32.024 32.500 -0.029 0.000 0.720 1043 K HN 0.475 nan 8.250 nan 0.000 0.449 1044 E N -0.793 119.378 120.200 -0.049 0.000 2.485 1044 E HA 0.106 4.454 4.350 -0.002 0.000 0.194 1044 E C 0.816 177.396 176.600 -0.033 0.000 1.098 1044 E CA 0.383 56.758 56.400 -0.041 0.000 0.878 1044 E CB -0.238 29.427 29.700 -0.060 0.000 0.939 1044 E HN 0.569 nan 8.360 nan 0.000 0.503 1045 G N 2.113 110.895 108.800 -0.030 0.000 2.166 1045 G HA2 -0.367 3.592 3.960 -0.002 0.000 0.260 1045 G HA3 -0.367 3.592 3.960 -0.002 0.000 0.260 1045 G C 0.854 175.752 174.900 -0.002 0.000 0.986 1045 G CA 0.774 45.870 45.100 -0.006 0.000 0.683 1045 G HN 0.362 nan 8.290 nan 0.000 0.527 1046 K N -0.451 119.917 120.400 -0.052 0.000 2.228 1046 K HA 0.245 4.564 4.320 -0.002 0.000 0.202 1046 K C 1.449 178.015 176.600 -0.058 0.000 1.051 1046 K CA 1.360 57.623 56.287 -0.039 0.000 0.960 1046 K CB 0.101 32.489 32.500 -0.187 0.000 0.743 1046 K HN 0.827 nan 8.250 nan 0.000 0.458 1047 I N -3.486 117.014 120.570 -0.118 0.000 2.969 1047 I HA 0.403 4.572 4.170 -0.002 0.000 0.307 1047 I C -1.056 175.072 176.117 0.019 0.000 1.149 1047 I CA -0.963 60.272 61.300 -0.108 0.000 1.008 1047 I CB 2.559 40.400 38.000 -0.264 0.000 1.232 1047 I HN -0.326 nan 8.210 nan 0.000 0.435 1048 S N 2.079 117.824 115.700 0.076 0.000 2.548 1048 S HA 0.479 4.948 4.470 -0.002 0.000 0.286 1048 S C -0.662 173.969 174.600 0.051 0.000 1.098 1048 S CA -0.993 57.252 58.200 0.075 0.000 0.930 1048 S CB 1.801 65.016 63.200 0.025 0.000 1.070 1048 S HN 0.468 nan 8.310 nan 0.000 0.480 1049 K N 1.995 122.367 120.400 -0.047 0.000 2.397 1049 K HA 0.279 4.598 4.320 -0.002 0.000 0.265 1049 K C 0.060 176.549 176.600 -0.185 0.000 0.982 1049 K CA 0.199 56.335 56.287 -0.252 0.000 0.931 1049 K CB 0.087 32.448 32.500 -0.233 0.000 0.943 1049 K HN 0.751 nan 8.250 nan 0.000 0.501 1050 I N -2.913 117.518 120.570 -0.232 0.000 2.802 1050 I HA 0.481 4.650 4.170 -0.002 0.000 0.298 1050 I C 0.154 176.175 176.117 -0.160 0.000 1.176 1050 I CA -1.042 60.160 61.300 -0.163 0.000 1.025 1050 I CB 2.145 40.060 38.000 -0.142 0.000 1.243 1050 I HN 0.500 nan 8.210 nan 0.000 0.424 1051 G N 3.140 111.867 108.800 -0.122 0.000 2.563 1051 G HA2 0.496 4.455 3.960 -0.002 0.000 0.283 1051 G HA3 0.496 4.455 3.960 -0.002 0.000 0.283 1051 G C -1.739 173.091 174.900 -0.116 0.000 1.309 1051 G CA -1.165 43.867 45.100 -0.113 0.000 1.022 1051 G HN 0.629 nan 8.290 nan 0.000 0.501 1052 P HA -0.014 nan 4.420 nan 0.000 0.237 1052 P C 1.168 178.400 177.300 -0.113 0.000 1.178 1052 P CA 0.613 63.648 63.100 -0.108 0.000 0.766 1052 P CB 0.254 31.898 31.700 -0.094 0.000 0.876 1053 E N -0.369 119.769 120.200 -0.105 0.000 2.516 1053 E HA -0.097 4.252 4.350 -0.002 0.000 0.199 1053 E C 0.103 176.619 176.600 -0.140 0.000 1.069 1053 E CA 0.349 56.685 56.400 -0.107 0.000 0.876 1053 E CB -0.684 28.967 29.700 -0.083 0.000 0.843 1053 E HN 0.122 nan 8.360 nan 0.000 0.530 1054 N N 1.857 120.466 118.700 -0.153 0.000 2.511 1054 N HA 0.141 4.880 4.740 -0.002 0.000 0.249 1054 N C -1.965 173.386 175.510 -0.266 0.000 0.971 1054 N CA -1.980 50.954 53.050 -0.193 0.000 0.938 1054 N CB 1.736 40.164 38.487 -0.098 0.000 1.131 1054 N HN -0.122 nan 8.380 nan 0.000 0.505 1055 P HA 0.081 nan 4.420 nan 0.000 0.255 1055 P C -0.385 176.705 177.300 -0.349 0.000 1.248 1055 P CA 0.270 63.123 63.100 -0.412 0.000 0.807 1055 P CB 0.104 31.529 31.700 -0.458 0.000 1.150 1056 Y N 1.026 121.312 120.300 -0.024 0.000 2.300 1056 Y HA 0.475 5.023 4.550 -0.002 0.000 0.328 1056 Y C 1.014 176.919 175.900 0.009 0.000 1.270 1056 Y CA -0.366 57.741 58.100 0.012 0.000 1.352 1056 Y CB 0.213 38.697 38.460 0.040 0.000 1.286 1056 Y HN -0.111 nan 8.280 nan 0.000 0.536 1057 N N -1.025 117.798 118.700 0.204 0.000 2.555 1057 N HA 0.457 5.196 4.740 -0.002 0.000 0.265 1057 N C -1.894 173.692 175.510 0.126 0.000 1.135 1057 N CA -0.434 52.694 53.050 0.130 0.000 0.925 1057 N CB 1.708 40.221 38.487 0.045 0.000 1.662 1057 N HN 0.576 nan 8.380 nan 0.000 0.489 1058 T N 2.643 117.275 114.554 0.130 0.000 2.886 1058 T HA 0.583 4.932 4.350 -0.002 0.000 0.292 1058 T C -2.813 171.901 174.700 0.023 0.000 1.012 1058 T CA -1.017 61.120 62.100 0.062 0.000 0.982 1058 T CB 2.009 70.869 68.868 -0.013 0.000 1.018 1058 T HN 0.323 nan 8.240 nan 0.000 0.451 1059 P HA 0.362 nan 4.420 nan 0.000 0.272 1059 P C -0.960 176.239 177.300 -0.169 0.000 1.223 1059 P CA -0.504 62.578 63.100 -0.030 0.000 0.784 1059 P CB 0.545 32.395 31.700 0.250 0.000 0.923 1060 V N -0.104 119.599 119.914 -0.350 0.000 2.789 1060 V HA 0.734 4.853 4.120 -0.002 0.000 0.311 1060 V C -1.273 174.493 176.094 -0.547 0.000 1.073 1060 V CA -0.794 61.311 62.300 -0.325 0.000 0.921 1060 V CB 1.481 33.185 31.823 -0.198 0.000 1.009 1060 V HN 0.259 nan 8.190 nan 0.000 0.426 1061 F N 1.903 121.833 119.950 -0.033 0.000 2.631 1061 F HA 0.938 5.464 4.527 -0.002 0.000 0.328 1061 F C 0.482 176.225 175.800 -0.096 0.000 1.067 1061 F CA -0.459 57.493 58.000 -0.081 0.000 0.969 1061 F CB 2.249 41.162 39.000 -0.144 0.000 1.332 1061 F HN 0.881 nan 8.300 nan 0.000 0.490 1062 A N 2.246 125.108 122.820 0.070 0.000 2.287 1062 A HA 0.824 5.143 4.320 -0.002 0.000 0.317 1062 A C -0.754 176.933 177.584 0.171 0.000 1.220 1062 A CA -0.556 51.499 52.037 0.031 0.000 0.835 1062 A CB 0.297 19.140 19.000 -0.261 0.000 1.180 1062 A HN 0.712 nan 8.150 nan 0.000 0.500 1063 I N -1.312 119.415 120.570 0.261 0.000 2.846 1063 I HA 0.672 4.841 4.170 -0.002 0.000 0.307 1063 I C -0.392 175.885 176.117 0.268 0.000 1.053 1063 I CA -1.138 60.306 61.300 0.239 0.000 1.050 1063 I CB 2.076 40.142 38.000 0.110 0.000 1.239 1063 I HN 0.469 nan 8.210 nan 0.000 0.439 1064 K N 2.912 123.313 120.400 0.002 0.000 2.227 1064 K HA 0.205 4.524 4.320 -0.002 0.000 0.280 1064 K C 0.391 176.897 176.600 -0.156 0.000 1.041 1064 K CA -0.498 55.633 56.287 -0.260 0.000 0.905 1064 K CB 1.382 33.564 32.500 -0.530 0.000 1.068 1064 K HN 0.633 nan 8.250 nan 0.000 0.470 1065 K N 2.942 123.262 120.400 -0.134 0.000 2.609 1065 K HA -0.283 4.035 4.320 -0.002 0.000 0.107 1065 K C -0.210 176.315 176.600 -0.125 0.000 0.672 1065 K CA 1.865 58.089 56.287 -0.105 0.000 0.841 1065 K CB -0.128 32.305 32.500 -0.110 0.000 0.258 1065 K HN 0.318 nan 8.250 nan 0.000 1.066 1066 K N 1.296 121.617 120.400 -0.133 0.000 2.291 1066 K HA 0.154 4.473 4.320 -0.002 0.000 0.242 1066 K C -1.409 175.106 176.600 -0.141 0.000 1.098 1066 K CA 0.480 56.678 56.287 -0.148 0.000 1.036 1066 K CB -0.204 32.205 32.500 -0.152 0.000 1.655 1066 K HN 0.565 nan 8.250 nan 0.000 0.432 1067 D N 1.403 121.719 120.400 -0.141 0.000 2.810 1067 D HA -0.225 4.414 4.640 -0.002 0.000 0.224 1067 D C -0.555 175.663 176.300 -0.135 0.000 1.222 1067 D CA 1.379 55.301 54.000 -0.129 0.000 0.698 1067 D CB -0.788 39.955 40.800 -0.095 0.000 0.961 1067 D HN 0.602 nan 8.370 nan 0.000 0.403 1068 S N -0.679 114.918 115.700 -0.173 0.000 3.728 1068 S HA 0.664 5.133 4.470 -0.002 0.000 0.253 1068 S C 1.237 175.698 174.600 -0.230 0.000 1.032 1068 S CA 0.362 58.461 58.200 -0.168 0.000 1.323 1068 S CB 1.054 64.168 63.200 -0.143 0.000 1.223 1068 S HN 0.292 nan 8.310 nan 0.000 0.728 1069 T N -2.398 112.020 114.554 -0.226 0.000 2.975 1069 T HA 0.401 4.750 4.350 -0.002 0.000 0.257 1069 T C 0.080 174.571 174.700 -0.349 0.000 1.003 1069 T CA -0.138 61.798 62.100 -0.274 0.000 0.932 1069 T CB -0.138 68.633 68.868 -0.161 0.000 1.087 1069 T HN 0.379 nan 8.240 nan 0.000 0.512 1070 K N 1.287 121.522 120.400 -0.275 0.000 2.211 1070 K HA 0.458 4.777 4.320 -0.002 0.000 0.275 1070 K C -1.261 175.216 176.600 -0.204 0.000 1.024 1070 K CA -0.918 55.258 56.287 -0.185 0.000 0.887 1070 K CB 0.397 32.848 32.500 -0.082 0.000 1.084 1070 K HN 0.332 nan 8.250 nan 0.000 0.463 1071 W N 3.483 124.766 121.300 -0.028 0.000 2.202 1071 W HA 0.314 4.973 4.660 -0.002 0.000 0.332 1071 W C 0.618 177.124 176.519 -0.021 0.000 1.263 1071 W CA -0.369 56.959 57.345 -0.029 0.000 1.223 1071 W CB 0.710 30.153 29.460 -0.029 0.000 1.128 1071 W HN 0.296 nan 8.180 nan 0.000 0.573 1072 R N 3.345 124.016 120.500 0.285 0.000 2.561 1072 R HA 0.242 4.581 4.340 -0.002 0.000 0.297 1072 R C -0.584 175.809 176.300 0.155 0.000 0.969 1072 R CA -0.932 55.268 56.100 0.166 0.000 0.879 1072 R CB 1.242 31.602 30.300 0.101 0.000 1.178 1072 R HN 0.507 nan 8.270 nan 0.000 0.445 1073 K N 4.242 124.705 120.400 0.106 0.000 2.350 1073 K HA 0.130 4.449 4.320 -0.002 0.000 0.279 1073 K C -1.219 175.431 176.600 0.084 0.000 1.027 1073 K CA -0.354 55.970 56.287 0.062 0.000 0.969 1073 K CB 0.671 33.176 32.500 0.009 0.000 0.954 1073 K HN 0.336 nan 8.250 nan 0.000 0.474 1074 L N 5.596 126.870 121.223 0.085 0.000 2.372 1074 L HA 0.336 4.675 4.340 -0.002 0.000 0.274 1074 L C -1.475 175.454 176.870 0.100 0.000 0.988 1074 L CA -0.620 54.294 54.840 0.124 0.000 0.833 1074 L CB 1.705 43.865 42.059 0.168 0.000 1.236 1074 L HN 0.398 nan 8.230 nan 0.000 0.410 1075 V N 3.232 123.149 119.914 0.006 0.000 2.539 1075 V HA 0.380 4.499 4.120 -0.002 0.000 0.292 1075 V C -0.244 175.770 176.094 -0.132 0.000 1.045 1075 V CA -0.600 61.570 62.300 -0.217 0.000 0.945 1075 V CB 1.523 32.997 31.823 -0.582 0.000 0.993 1075 V HN 0.750 nan 8.190 nan 0.000 0.464 1076 D N 2.642 122.979 120.400 -0.106 0.000 2.524 1076 D HA 0.278 4.917 4.640 -0.002 0.000 0.222 1076 D C 0.101 176.378 176.300 -0.038 0.000 1.142 1076 D CA -0.379 53.663 54.000 0.071 0.000 0.973 1076 D CB 0.158 41.171 40.800 0.354 0.000 1.025 1076 D HN 0.368 nan 8.370 nan 0.000 0.519 1077 F N 1.701 121.738 119.950 0.144 0.000 2.693 1077 F HA 0.233 4.759 4.527 -0.001 0.000 0.303 1077 F C 2.074 177.939 175.800 0.109 0.000 1.143 1077 F CA -0.295 57.780 58.000 0.124 0.000 1.389 1077 F CB -0.015 39.074 39.000 0.148 0.000 1.060 1077 F HN 0.186 nan 8.300 nan 0.000 0.535 1078 R N 0.729 121.354 120.500 0.209 0.000 2.162 1078 R HA -0.273 4.066 4.340 -0.002 0.000 0.245 1078 R C 2.275 178.670 176.300 0.159 0.000 1.129 1078 R CA 2.200 58.375 56.100 0.125 0.000 0.940 1078 R CB -0.457 29.860 30.300 0.029 0.000 0.875 1078 R HN 0.134 nan 8.270 nan 0.000 0.437 1079 E N 0.291 120.592 120.200 0.167 0.000 2.031 1079 E HA -0.149 4.200 4.350 -0.002 0.000 0.193 1079 E C 1.874 178.581 176.600 0.179 0.000 0.994 1079 E CA 1.300 57.793 56.400 0.155 0.000 0.800 1079 E CB -0.425 29.357 29.700 0.137 0.000 0.752 1079 E HN 0.343 nan 8.360 nan 0.000 0.447 1080 L N 0.451 121.809 121.223 0.225 0.000 2.043 1080 L HA -0.272 4.067 4.340 -0.002 0.000 0.212 1080 L C 1.813 178.851 176.870 0.280 0.000 1.075 1080 L CA 1.934 56.894 54.840 0.200 0.000 0.752 1080 L CB -0.393 41.793 42.059 0.210 0.000 0.891 1080 L HN 0.271 nan 8.230 nan 0.000 0.432 1081 N N -0.515 118.372 118.700 0.312 0.000 2.120 1081 N HA -0.226 4.512 4.740 -0.002 0.000 0.188 1081 N C 1.696 177.477 175.510 0.452 0.000 1.024 1081 N CA 1.175 54.405 53.050 0.299 0.000 0.852 1081 N CB -0.013 38.501 38.487 0.046 0.000 1.003 1081 N HN 0.285 nan 8.380 nan 0.000 0.424 1082 K N 0.800 121.385 120.400 0.309 0.000 2.209 1082 K HA -0.048 4.271 4.320 -0.002 0.000 0.204 1082 K C 1.222 177.961 176.600 0.232 0.000 1.048 1082 K CA 0.855 57.307 56.287 0.274 0.000 0.940 1082 K CB 0.096 32.701 32.500 0.174 0.000 0.729 1082 K HN 0.290 nan 8.250 nan 0.000 0.451 1083 R N -0.101 120.526 120.500 0.211 0.000 2.359 1083 R HA 0.034 4.373 4.340 -0.002 0.000 0.231 1083 R C 1.270 177.670 176.300 0.166 0.000 0.913 1083 R CA 0.770 56.950 56.100 0.134 0.000 1.075 1083 R CB 0.446 30.779 30.300 0.055 0.000 1.087 1083 R HN 0.193 nan 8.270 nan 0.000 0.515 1084 T N -3.881 110.865 114.554 0.319 0.000 2.975 1084 T HA 0.011 4.360 4.350 -0.002 0.000 0.261 1084 T C 1.572 176.486 174.700 0.356 0.000 0.984 1084 T CA -0.357 61.977 62.100 0.389 0.000 0.911 1084 T CB 0.490 69.722 68.868 0.606 0.000 1.127 1084 T HN 0.009 nan 8.240 nan 0.000 0.514 1085 Q N 2.059 122.015 119.800 0.259 0.000 1.910 1085 Q HA -0.403 3.936 4.340 -0.002 0.000 0.241 1085 Q C 1.776 177.392 176.000 -0.639 0.000 1.057 1085 Q CA 3.002 58.442 55.803 -0.605 0.000 0.898 1085 Q CB -0.734 27.835 28.738 -0.282 0.000 1.016 1085 Q HN 0.563 nan 8.270 nan 0.000 0.424 1086 D N -1.362 118.861 120.400 -0.296 0.000 3.111 1086 D HA -0.291 4.348 4.640 -0.002 0.000 0.190 1086 D C 1.457 177.662 176.300 -0.159 0.000 1.141 1086 D CA 2.305 56.188 54.000 -0.195 0.000 0.888 1086 D CB -0.570 40.191 40.800 -0.066 0.000 0.905 1086 D HN 0.426 nan 8.370 nan 0.000 0.497 1087 F N 0.599 120.440 119.950 -0.182 0.000 2.039 1087 F HA -0.086 4.440 4.527 -0.002 0.000 0.294 1087 F C 2.218 177.948 175.800 -0.116 0.000 1.130 1087 F CA 2.379 60.318 58.000 -0.101 0.000 1.189 1087 F CB -0.763 38.235 39.000 -0.003 0.000 0.983 1087 F HN 0.309 nan 8.300 nan 0.000 0.471 1088 W N 0.743 122.135 121.300 0.154 0.000 2.519 1088 W HA -0.032 4.627 4.660 -0.002 0.000 0.266 1088 W C 1.640 178.104 176.519 -0.091 0.000 1.253 1088 W CA 1.136 58.460 57.345 -0.035 0.000 1.274 1088 W CB -1.041 28.364 29.460 -0.093 0.000 1.114 1088 W HN 0.337 nan 8.180 nan 0.000 0.596 1089 E N 1.466 121.316 120.200 -0.585 0.000 2.121 1089 E HA -0.132 4.217 4.350 -0.002 0.000 0.194 1089 E C 2.437 178.863 176.600 -0.291 0.000 0.940 1089 E CA 1.042 57.132 56.400 -0.515 0.000 0.884 1089 E CB -0.184 28.953 29.700 -0.938 0.000 0.874 1089 E HN -0.017 nan 8.360 nan 0.000 0.471 1090 V N -0.230 119.500 119.914 -0.307 0.000 2.649 1090 V HA -0.067 4.052 4.120 -0.002 0.000 0.248 1090 V C 2.163 178.144 176.094 -0.190 0.000 1.054 1090 V CA 1.630 63.808 62.300 -0.203 0.000 1.073 1090 V CB -0.146 31.571 31.823 -0.177 0.000 0.699 1090 V HN 0.182 nan 8.190 nan 0.000 0.463 1091 Q N 1.288 120.939 119.800 -0.249 0.000 1.896 1091 Q HA 0.153 4.492 4.340 -0.002 0.000 0.205 1091 Q C 1.346 177.168 176.000 -0.297 0.000 0.978 1091 Q CA 2.098 57.720 55.803 -0.302 0.000 0.850 1091 Q CB -0.243 28.197 28.738 -0.498 0.000 0.908 1091 Q HN 0.683 nan 8.270 nan 0.000 0.431 1092 L N 1.250 122.252 121.223 -0.369 0.000 3.094 1092 L HA 0.496 4.835 4.340 -0.002 0.000 0.254 1092 L C 0.468 177.260 176.870 -0.130 0.000 1.298 1092 L CA -0.583 54.101 54.840 -0.259 0.000 1.050 1092 L CB 0.234 42.090 42.059 -0.339 0.000 1.420 1092 L HN 0.243 nan 8.230 nan 0.000 0.548 1093 G N 0.761 109.503 108.800 -0.097 0.000 2.474 1093 G HA2 0.251 4.209 3.960 -0.002 0.000 0.233 1093 G HA3 0.251 4.209 3.960 -0.002 0.000 0.233 1093 G C -0.355 174.572 174.900 0.046 0.000 1.278 1093 G CA -0.123 44.975 45.100 -0.004 0.000 0.861 1093 G HN 0.152 nan 8.290 nan 0.000 0.567 1094 I N 3.776 124.422 120.570 0.127 0.000 2.321 1094 I HA 0.273 4.442 4.170 -0.002 0.000 0.291 1094 I C -1.518 174.742 176.117 0.237 0.000 0.998 1094 I CA -1.835 59.565 61.300 0.167 0.000 1.227 1094 I CB 1.562 39.676 38.000 0.191 0.000 1.368 1094 I HN 0.333 nan 8.210 nan 0.000 0.466 1095 P HA 0.050 nan 4.420 nan 0.000 0.271 1095 P C -0.780 176.639 177.300 0.197 0.000 1.216 1095 P CA -0.046 63.152 63.100 0.163 0.000 0.776 1095 P CB 0.642 32.397 31.700 0.092 0.000 0.881 1096 H N 4.197 123.275 119.070 0.013 0.000 2.556 1096 H HA 0.292 4.847 4.556 -0.002 0.000 0.310 1096 H C -2.140 173.062 175.328 -0.211 0.000 1.057 1096 H CA -1.916 53.987 56.048 -0.242 0.000 1.264 1096 H CB 1.062 30.673 29.762 -0.251 0.000 1.404 1096 H HN 0.273 nan 8.280 nan 0.000 0.462 1097 P HA 0.170 nan 4.420 nan 0.000 0.282 1097 P C 0.336 177.364 177.300 -0.453 0.000 1.262 1097 P CA -0.390 62.474 63.100 -0.393 0.000 0.773 1097 P CB 1.322 32.846 31.700 -0.294 0.000 0.879 1098 A N 3.608 126.333 122.820 -0.159 0.000 2.121 1098 A HA 0.010 4.329 4.320 -0.002 0.000 0.218 1098 A C 2.150 179.666 177.584 -0.114 0.000 1.154 1098 A CA 1.602 53.593 52.037 -0.076 0.000 0.679 1098 A CB -1.192 17.808 19.000 0.001 0.000 0.795 1098 A HN 0.627 nan 8.150 nan 0.000 0.458 1099 G N 0.081 108.805 108.800 -0.128 0.000 2.408 1099 G HA2 -0.139 3.820 3.960 -0.002 0.000 0.217 1099 G HA3 -0.139 3.820 3.960 -0.002 0.000 0.217 1099 G C 1.416 176.243 174.900 -0.121 0.000 1.150 1099 G CA 1.059 46.099 45.100 -0.101 0.000 0.776 1099 G HN 0.459 nan 8.290 nan 0.000 0.542 1100 L N 1.461 122.581 121.223 -0.172 0.000 2.011 1100 L HA -0.225 4.114 4.340 -0.002 0.000 0.225 1100 L C 2.694 179.470 176.870 -0.157 0.000 1.084 1100 L CA 2.930 57.675 54.840 -0.158 0.000 0.791 1100 L CB -0.379 41.538 42.059 -0.238 0.000 0.898 1100 L HN 0.324 nan 8.230 nan 0.000 0.440 1101 K N -0.205 120.092 120.400 -0.172 0.000 2.442 1101 K HA -0.191 4.128 4.320 -0.002 0.000 0.198 1101 K C 1.806 178.291 176.600 -0.193 0.000 1.042 1101 K CA 1.503 57.676 56.287 -0.191 0.000 0.958 1101 K CB -0.137 32.266 32.500 -0.161 0.000 0.766 1101 K HN 0.466 nan 8.250 nan 0.000 0.474 1102 K N 0.542 120.857 120.400 -0.142 0.000 2.361 1102 K HA 0.073 4.392 4.320 -0.002 0.000 0.196 1102 K C 0.230 176.757 176.600 -0.120 0.000 1.039 1102 K CA 0.061 56.278 56.287 -0.117 0.000 1.001 1102 K CB 0.338 32.792 32.500 -0.077 0.000 0.795 1102 K HN -0.012 nan 8.250 nan 0.000 0.495 1103 K N 1.316 121.641 120.400 -0.126 0.000 2.319 1103 K HA 0.011 4.330 4.320 -0.002 0.000 0.265 1103 K C 0.776 177.297 176.600 -0.132 0.000 1.000 1103 K CA 0.353 56.578 56.287 -0.103 0.000 0.943 1103 K CB 0.653 33.109 32.500 -0.073 0.000 0.950 1103 K HN -0.042 nan 8.250 nan 0.000 0.485 1104 K N 0.612 120.956 120.400 -0.093 0.000 2.057 1104 K HA -0.032 4.287 4.320 -0.002 0.000 0.206 1104 K C 0.184 176.758 176.600 -0.043 0.000 1.050 1104 K CA 1.091 57.332 56.287 -0.076 0.000 0.935 1104 K CB 0.169 32.638 32.500 -0.053 0.000 0.715 1104 K HN 0.383 nan 8.250 nan 0.000 0.439 1105 S N 0.239 115.850 115.700 -0.149 0.000 2.571 1105 S HA 0.368 4.837 4.470 -0.002 0.000 0.284 1105 S C -1.054 173.352 174.600 -0.322 0.000 1.128 1105 S CA -0.830 57.176 58.200 -0.323 0.000 0.970 1105 S CB 2.657 65.501 63.200 -0.594 0.000 1.039 1105 S HN -0.142 nan 8.310 nan 0.000 0.485 1106 V N 3.098 122.845 119.914 -0.278 0.000 2.487 1106 V HA 0.509 4.628 4.120 -0.002 0.000 0.298 1106 V C -0.093 175.999 176.094 -0.003 0.000 1.028 1106 V CA -0.397 61.863 62.300 -0.066 0.000 0.860 1106 V CB 2.054 33.851 31.823 -0.044 0.000 0.991 1106 V HN 0.933 nan 8.190 nan 0.000 0.427 1107 T N 4.482 119.126 114.554 0.149 0.000 2.867 1107 T HA 0.557 4.906 4.350 -0.002 0.000 0.282 1107 T C -0.338 174.387 174.700 0.042 0.000 1.000 1107 T CA -0.358 61.824 62.100 0.136 0.000 1.042 1107 T CB 1.659 70.636 68.868 0.181 0.000 0.973 1107 T HN 0.342 nan 8.240 nan 0.000 0.465 1108 V N 4.523 124.454 119.914 0.028 0.000 2.334 1108 V HA 0.373 4.492 4.120 -0.002 0.000 0.281 1108 V C -0.777 175.256 176.094 -0.102 0.000 1.016 1108 V CA -0.847 61.364 62.300 -0.148 0.000 0.832 1108 V CB 0.951 32.735 31.823 -0.065 0.000 0.999 1108 V HN 0.564 nan 8.190 nan 0.000 0.439 1109 L N 3.898 125.019 121.223 -0.170 0.000 2.307 1109 L HA 0.508 4.847 4.340 -0.002 0.000 0.284 1109 L C 0.026 176.810 176.870 -0.143 0.000 1.023 1109 L CA -0.295 54.471 54.840 -0.124 0.000 0.810 1109 L CB 1.377 43.369 42.059 -0.111 0.000 1.231 1109 L HN 0.618 nan 8.230 nan 0.000 0.423 1110 D N 2.465 122.794 120.400 -0.119 0.000 2.336 1110 D HA 0.108 4.747 4.640 -0.002 0.000 0.249 1110 D C 0.147 176.353 176.300 -0.157 0.000 1.213 1110 D CA 0.320 54.241 54.000 -0.131 0.000 0.870 1110 D CB 1.070 41.803 40.800 -0.112 0.000 1.076 1110 D HN 0.232 nan 8.370 nan 0.000 0.483 1111 V N 4.100 123.887 119.914 -0.210 0.000 3.070 1111 V HA 0.317 4.436 4.120 -0.002 0.000 0.345 1111 V C 1.602 177.384 176.094 -0.519 0.000 1.403 1111 V CA 0.434 62.573 62.300 -0.267 0.000 1.155 1111 V CB 0.494 32.199 31.823 -0.197 0.000 1.140 1111 V HN 0.703 nan 8.190 nan 0.000 0.505 1112 G N -0.474 107.995 108.800 -0.553 0.000 2.448 1112 G HA2 -0.183 3.775 3.960 -0.002 0.000 0.218 1112 G HA3 -0.183 3.775 3.960 -0.002 0.000 0.218 1112 G C 1.064 175.399 174.900 -0.942 0.000 1.135 1112 G CA 0.747 45.287 45.100 -0.934 0.000 0.784 1112 G HN 0.504 nan 8.290 nan 0.000 0.543 1113 D N 0.538 120.629 120.400 -0.516 0.000 2.411 1113 D HA 0.067 4.706 4.640 -0.002 0.000 0.226 1113 D C 2.360 178.475 176.300 -0.309 0.000 0.988 1113 D CA 0.743 54.560 54.000 -0.305 0.000 0.938 1113 D CB 0.040 40.804 40.800 -0.061 0.000 0.883 1113 D HN 0.327 nan 8.370 nan 0.000 0.525 1114 A N -1.251 121.250 122.820 -0.532 0.000 2.095 1114 A HA 0.006 4.325 4.320 -0.002 0.000 0.212 1114 A C 1.742 179.149 177.584 -0.296 0.000 1.162 1114 A CA 0.042 51.875 52.037 -0.341 0.000 0.753 1114 A CB -0.461 18.302 19.000 -0.395 0.000 0.840 1114 A HN 0.337 nan 8.150 nan 0.000 0.468 1115 Y N -1.467 118.506 120.300 -0.545 0.000 2.293 1115 Y HA -0.195 4.354 4.550 -0.002 0.000 0.291 1115 Y C 1.916 177.769 175.900 -0.078 0.000 1.137 1115 Y CA 0.450 58.310 58.100 -0.400 0.000 1.202 1115 Y CB -0.371 37.831 38.460 -0.431 0.000 0.990 1115 Y HN 0.320 nan 8.280 nan 0.000 0.537 1116 F N 0.378 120.446 119.950 0.196 0.000 2.287 1116 F HA -0.277 4.249 4.527 -0.002 0.000 0.301 1116 F C 2.333 178.245 175.800 0.187 0.000 1.069 1116 F CA 0.937 59.052 58.000 0.192 0.000 1.372 1116 F CB -1.248 37.835 39.000 0.138 0.000 1.056 1116 F HN -0.047 nan 8.300 nan 0.000 0.523 1117 S N -0.102 115.806 115.700 0.345 0.000 2.363 1117 S HA -0.121 4.348 4.470 -0.002 0.000 0.218 1117 S C 0.965 175.740 174.600 0.292 0.000 1.035 1117 S CA 0.801 59.182 58.200 0.302 0.000 1.043 1117 S CB -0.696 62.701 63.200 0.328 0.000 0.986 1117 S HN 0.006 nan 8.310 nan 0.000 0.423 1118 V N 5.023 125.134 119.914 0.329 0.000 2.599 1118 V HA 0.112 4.231 4.120 -0.002 0.000 0.300 1118 V C -2.272 173.975 176.094 0.256 0.000 1.034 1118 V CA -1.218 61.254 62.300 0.287 0.000 1.115 1118 V CB -0.169 31.849 31.823 0.325 0.000 0.934 1118 V HN 0.243 nan 8.190 nan 0.000 0.485 1119 P HA 0.253 nan 4.420 nan 0.000 0.275 1119 P C -0.628 176.790 177.300 0.198 0.000 1.228 1119 P CA -0.509 62.708 63.100 0.196 0.000 0.786 1119 P CB 0.678 32.470 31.700 0.155 0.000 0.927 1120 L N 2.418 123.764 121.223 0.205 0.000 2.334 1120 L HA 0.348 4.687 4.340 -0.002 0.000 0.277 1120 L C 0.034 177.008 176.870 0.173 0.000 1.075 1120 L CA -0.577 54.386 54.840 0.206 0.000 0.804 1120 L CB 0.431 42.627 42.059 0.228 0.000 1.174 1120 L HN 0.250 nan 8.230 nan 0.000 0.438 1121 D N 3.123 123.621 120.400 0.165 0.000 2.455 1121 D HA -0.078 4.561 4.640 -0.002 0.000 0.265 1121 D C 1.046 177.438 176.300 0.152 0.000 1.284 1121 D CA 0.697 54.782 54.000 0.143 0.000 0.944 1121 D CB 0.567 41.439 40.800 0.120 0.000 1.121 1121 D HN 0.672 nan 8.370 nan 0.000 0.525 1122 E N 2.578 122.846 120.200 0.112 0.000 2.169 1122 E HA -0.261 4.088 4.350 -0.002 0.000 0.202 1122 E C 0.810 177.450 176.600 0.067 0.000 1.016 1122 E CA 1.364 57.814 56.400 0.084 0.000 0.817 1122 E CB 0.083 29.821 29.700 0.064 0.000 0.736 1122 E HN 0.588 nan 8.360 nan 0.000 0.462 1123 D N -0.976 119.477 120.400 0.089 0.000 2.378 1123 D HA -0.083 4.556 4.640 -0.002 0.000 0.222 1123 D C 1.009 177.366 176.300 0.095 0.000 0.980 1123 D CA 0.500 54.545 54.000 0.075 0.000 0.907 1123 D CB -0.018 40.841 40.800 0.099 0.000 0.899 1123 D HN 0.138 nan 8.370 nan 0.000 0.527 1124 F N 0.106 120.032 119.950 -0.040 0.000 2.724 1124 F HA 0.224 4.750 4.527 -0.002 0.000 0.306 1124 F C 1.720 177.449 175.800 -0.118 0.000 1.100 1124 F CA -0.207 57.769 58.000 -0.040 0.000 1.255 1124 F CB 0.344 39.326 39.000 -0.029 0.000 1.072 1124 F HN -0.266 nan 8.300 nan 0.000 0.589 1125 R N 1.132 121.588 120.500 -0.072 0.000 2.127 1125 R HA -0.186 4.153 4.340 -0.002 0.000 0.238 1125 R C 2.033 178.202 176.300 -0.218 0.000 1.134 1125 R CA 1.856 57.904 56.100 -0.086 0.000 0.975 1125 R CB -0.526 29.789 30.300 0.024 0.000 0.865 1125 R HN 0.401 nan 8.270 nan 0.000 0.447 1126 K N -0.048 120.140 120.400 -0.353 0.000 2.209 1126 K HA -0.157 4.162 4.320 -0.002 0.000 0.204 1126 K C 1.251 177.622 176.600 -0.382 0.000 1.048 1126 K CA 1.521 57.617 56.287 -0.319 0.000 0.940 1126 K CB -0.350 31.962 32.500 -0.314 0.000 0.729 1126 K HN 0.280 nan 8.250 nan 0.000 0.451 1127 Y N 2.188 122.135 120.300 -0.590 0.000 2.561 1127 Y HA -0.052 4.497 4.550 -0.002 0.000 0.291 1127 Y C 1.993 177.663 175.900 -0.383 0.000 1.141 1127 Y CA 0.816 58.468 58.100 -0.747 0.000 1.303 1127 Y CB 0.101 37.900 38.460 -1.103 0.000 1.015 1127 Y HN 0.268 nan 8.280 nan 0.000 0.547 1128 T N -1.947 112.527 114.554 -0.133 0.000 3.244 1128 T HA 0.482 4.831 4.350 -0.002 0.000 0.254 1128 T C 0.608 175.557 174.700 0.414 0.000 1.024 1128 T CA -0.273 61.932 62.100 0.175 0.000 0.920 1128 T CB -0.584 68.354 68.868 0.116 0.000 1.042 1128 T HN 0.192 nan 8.240 nan 0.000 0.572 1129 A N 1.784 124.756 122.820 0.254 0.000 2.477 1129 A HA 0.591 4.910 4.320 -0.002 0.000 0.246 1129 A C -0.117 177.651 177.584 0.307 0.000 1.078 1129 A CA -0.556 51.608 52.037 0.211 0.000 0.770 1129 A CB -0.370 18.704 19.000 0.123 0.000 1.011 1129 A HN 0.849 nan 8.150 nan 0.000 0.494 1130 F N -0.698 119.328 119.950 0.128 0.000 2.662 1130 F HA 0.815 5.341 4.527 -0.002 0.000 0.312 1130 F C -0.436 175.402 175.800 0.062 0.000 1.113 1130 F CA -0.788 57.260 58.000 0.080 0.000 0.951 1130 F CB 1.407 40.459 39.000 0.087 0.000 1.344 1130 F HN 0.364 nan 8.300 nan 0.000 0.462 1131 T N 2.540 117.204 114.554 0.182 0.000 2.861 1131 T HA 0.584 4.933 4.350 -0.002 0.000 0.287 1131 T C -0.622 174.152 174.700 0.124 0.000 1.003 1131 T CA -0.435 61.689 62.100 0.041 0.000 0.977 1131 T CB 1.659 70.514 68.868 -0.022 0.000 0.996 1131 T HN 0.598 nan 8.240 nan 0.000 0.448 1132 I N 5.453 126.079 120.570 0.093 0.000 2.307 1132 I HA 0.295 4.464 4.170 -0.002 0.000 0.289 1132 I C -1.869 174.250 176.117 0.002 0.000 1.021 1132 I CA -2.242 59.105 61.300 0.079 0.000 1.224 1132 I CB 1.439 39.519 38.000 0.132 0.000 1.376 1132 I HN 0.348 nan 8.210 nan 0.000 0.470 1133 P HA 0.267 nan 4.420 nan 0.000 0.279 1133 P C -0.821 176.454 177.300 -0.041 0.000 1.282 1133 P CA -0.356 62.721 63.100 -0.039 0.000 0.788 1133 P CB 1.107 32.781 31.700 -0.043 0.000 1.139 1134 S N -1.672 114.002 115.700 -0.043 0.000 2.595 1134 S HA 0.562 5.031 4.470 -0.002 0.000 0.281 1134 S C -0.078 174.497 174.600 -0.041 0.000 1.117 1134 S CA -0.982 57.193 58.200 -0.043 0.000 0.873 1134 S CB 0.545 63.719 63.200 -0.042 0.000 1.108 1134 S HN 0.273 nan 8.310 nan 0.000 0.477 1135 I N 2.519 123.065 120.570 -0.040 0.000 2.618 1135 I HA 0.150 4.319 4.170 -0.002 0.000 0.284 1135 I C 1.506 177.604 176.117 -0.031 0.000 1.146 1135 I CA 0.290 61.568 61.300 -0.036 0.000 1.425 1135 I CB -0.163 37.815 38.000 -0.037 0.000 1.383 1135 I HN 1.061 nan 8.210 nan 0.000 0.562 1136 N N 4.796 123.479 118.700 -0.027 0.000 2.713 1136 N HA -0.240 4.499 4.740 -0.002 0.000 0.251 1136 N C -0.125 175.369 175.510 -0.026 0.000 1.117 1136 N CA 0.596 53.632 53.050 -0.023 0.000 0.770 1136 N CB -0.484 37.991 38.487 -0.021 0.000 1.137 1136 N HN 0.869 nan 8.380 nan 0.000 0.566 1137 N N -0.384 118.298 118.700 -0.030 0.000 2.721 1137 N HA -0.184 4.555 4.740 -0.002 0.000 0.249 1137 N C 0.239 175.729 175.510 -0.033 0.000 1.072 1137 N CA 1.562 54.592 53.050 -0.034 0.000 0.710 1137 N CB -1.196 37.271 38.487 -0.033 0.000 0.993 1137 N HN 0.696 nan 8.380 nan 0.000 0.547 1138 E N -0.852 119.328 120.200 -0.032 0.000 2.158 1138 E HA -0.024 4.325 4.350 -0.002 0.000 0.191 1138 E C 0.690 177.269 176.600 -0.034 0.000 0.982 1138 E CA 1.218 57.600 56.400 -0.030 0.000 0.823 1138 E CB 0.227 29.911 29.700 -0.027 0.000 0.766 1138 E HN 0.601 nan 8.360 nan 0.000 0.468 1139 T N -2.013 112.518 114.554 -0.038 0.000 2.885 1139 T HA 0.269 4.618 4.350 -0.002 0.000 0.285 1139 T C -2.278 172.392 174.700 -0.050 0.000 1.019 1139 T CA -2.161 59.913 62.100 -0.044 0.000 1.010 1139 T CB 1.815 70.657 68.868 -0.044 0.000 1.022 1139 T HN -0.310 nan 8.240 nan 0.000 0.466 1140 P HA 0.083 nan 4.420 nan 0.000 0.216 1140 P C 0.771 178.028 177.300 -0.072 0.000 1.157 1140 P CA 1.998 65.059 63.100 -0.065 0.000 0.880 1140 P CB -0.426 31.230 31.700 -0.073 0.000 0.791 1141 G N -1.245 107.508 108.800 -0.078 0.000 2.885 1141 G HA2 -0.049 3.910 3.960 -0.002 0.000 0.685 1141 G HA3 -0.049 3.910 3.960 -0.002 0.000 0.685 1141 G C -0.877 173.951 174.900 -0.119 0.000 1.216 1141 G CA -0.923 44.128 45.100 -0.081 0.000 0.790 1141 G HN 0.110 nan 8.290 nan 0.000 0.631 1142 I N 2.702 123.198 120.570 -0.123 0.000 2.342 1142 I HA 0.447 4.616 4.170 -0.002 0.000 0.291 1142 I C 0.822 176.735 176.117 -0.341 0.000 1.010 1142 I CA -0.544 60.613 61.300 -0.239 0.000 1.308 1142 I CB 1.061 38.953 38.000 -0.180 0.000 1.400 1142 I HN 0.261 nan 8.210 nan 0.000 0.488 1143 R N 6.319 126.524 120.500 -0.492 0.000 2.338 1143 R HA 0.535 4.874 4.340 -0.002 0.000 0.317 1143 R C -1.341 174.522 176.300 -0.728 0.000 0.968 1143 R CA -0.765 55.044 56.100 -0.485 0.000 0.849 1143 R CB 1.554 31.666 30.300 -0.313 0.000 1.128 1143 R HN 0.485 nan 8.270 nan 0.000 0.448 1144 Y N 0.524 120.384 120.300 -0.734 0.000 2.598 1144 Y HA 0.315 4.864 4.550 -0.002 0.000 0.340 1144 Y C 0.443 175.994 175.900 -0.581 0.000 1.038 1144 Y CA -0.861 56.814 58.100 -0.709 0.000 1.100 1144 Y CB 2.082 40.004 38.460 -0.898 0.000 1.281 1144 Y HN 0.453 nan 8.280 nan 0.000 0.488 1145 Q N -0.378 119.393 119.800 -0.049 0.000 2.495 1145 Q HA 0.523 4.862 4.340 -0.002 0.000 0.287 1145 Q C -2.142 173.976 176.000 0.196 0.000 1.078 1145 Q CA -1.129 54.752 55.803 0.131 0.000 0.793 1145 Q CB 2.023 30.801 28.738 0.067 0.000 1.459 1145 Q HN 0.632 nan 8.270 nan 0.000 0.422 1146 Y N 1.027 121.472 120.300 0.240 0.000 2.304 1146 Y HA 0.229 4.778 4.550 -0.002 0.000 0.328 1146 Y C 0.337 176.326 175.900 0.148 0.000 1.123 1146 Y CA 0.113 58.348 58.100 0.225 0.000 1.218 1146 Y CB 1.395 40.003 38.460 0.248 0.000 1.207 1146 Y HN 0.768 nan 8.280 nan 0.000 0.495 1147 N N 0.752 119.612 118.700 0.267 0.000 2.236 1147 N HA 0.185 4.924 4.740 -0.002 0.000 0.196 1147 N C -1.270 174.391 175.510 0.251 0.000 1.114 1147 N CA 0.035 53.208 53.050 0.204 0.000 0.859 1147 N CB 0.810 39.377 38.487 0.133 0.000 0.982 1147 N HN 0.298 nan 8.380 nan 0.000 0.493 1148 V N -2.804 117.328 119.914 0.364 0.000 3.087 1148 V HA 0.409 4.528 4.120 -0.002 0.000 0.306 1148 V C -0.359 175.978 176.094 0.405 0.000 1.187 1148 V CA -1.519 61.004 62.300 0.373 0.000 0.999 1148 V CB 1.399 33.470 31.823 0.413 0.000 1.049 1148 V HN -0.086 nan 8.190 nan 0.000 0.431 1149 L N 3.960 125.374 121.223 0.319 0.000 2.776 1149 L HA 0.142 4.481 4.340 -0.002 0.000 0.283 1149 L C -1.873 175.126 176.870 0.214 0.000 1.194 1149 L CA -0.319 54.671 54.840 0.250 0.000 0.947 1149 L CB -0.215 41.920 42.059 0.127 0.000 1.255 1149 L HN 0.552 nan 8.230 nan 0.000 0.481 1150 P HA 0.116 nan 4.420 nan 0.000 0.281 1150 P C -0.225 177.106 177.300 0.051 0.000 1.249 1150 P CA -0.571 62.399 63.100 -0.217 0.000 0.810 1150 P CB 1.122 32.366 31.700 -0.760 0.000 1.008 1151 Q N 1.655 121.526 119.800 0.118 0.000 1.990 1151 Q HA -0.060 4.279 4.340 -0.002 0.000 0.200 1151 Q C 2.049 178.184 176.000 0.226 0.000 0.980 1151 Q CA 2.041 57.947 55.803 0.172 0.000 0.832 1151 Q CB -0.880 27.917 28.738 0.098 0.000 0.897 1151 Q HN 0.685 nan 8.270 nan 0.000 0.427 1152 G N -0.294 108.707 108.800 0.334 0.000 3.061 1152 G HA2 -0.067 3.892 3.960 -0.002 0.000 0.208 1152 G HA3 -0.067 3.892 3.960 -0.002 0.000 0.208 1152 G C -0.608 174.526 174.900 0.391 0.000 1.175 1152 G CA -0.426 44.908 45.100 0.391 0.000 0.812 1152 G HN 0.237 nan 8.290 nan 0.000 0.523 1153 W N 1.213 122.466 121.300 -0.078 0.000 2.278 1153 W HA 0.523 5.182 4.660 -0.002 0.000 0.317 1153 W C 0.861 177.177 176.519 -0.337 0.000 1.030 1153 W CA -1.932 55.201 57.345 -0.353 0.000 1.334 1153 W CB 0.795 29.791 29.460 -0.773 0.000 1.215 1153 W HN -0.040 nan 8.180 nan 0.000 0.405 1154 K N 2.936 122.867 120.400 -0.782 0.000 2.444 1154 K HA -0.176 4.143 4.320 -0.002 0.000 0.200 1154 K C 1.996 177.946 176.600 -1.084 0.000 1.045 1154 K CA 1.489 57.184 56.287 -0.987 0.000 0.934 1154 K CB -0.085 31.484 32.500 -1.552 0.000 0.756 1154 K HN 0.751 nan 8.250 nan 0.000 0.477 1155 G N 0.076 107.589 108.800 -2.145 0.000 2.448 1155 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.218 1155 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.218 1155 G C 1.405 175.488 174.900 -1.363 0.000 1.135 1155 G CA 0.474 44.198 45.100 -2.293 0.000 0.784 1155 G HN 0.174 nan 8.290 nan 0.000 0.543 1156 S N 1.700 116.729 115.700 -1.119 0.000 2.349 1156 S HA -0.055 4.414 4.470 -0.002 0.000 0.216 1156 S C 0.161 174.338 174.600 -0.705 0.000 1.033 1156 S CA 1.467 59.209 58.200 -0.762 0.000 1.021 1156 S CB -0.900 61.757 63.200 -0.906 0.000 0.968 1156 S HN 0.237 nan 8.310 nan 0.000 0.426 1157 P HA -0.135 nan 4.420 nan 0.000 0.216 1157 P C 1.460 178.668 177.300 -0.154 0.000 1.157 1157 P CA 1.722 64.639 63.100 -0.304 0.000 0.880 1157 P CB -0.218 31.360 31.700 -0.203 0.000 0.791 1158 A N -0.710 121.993 122.820 -0.195 0.000 1.892 1158 A HA -0.223 4.096 4.320 -0.002 0.000 0.218 1158 A C 2.205 179.739 177.584 -0.084 0.000 1.188 1158 A CA 1.951 53.922 52.037 -0.111 0.000 0.631 1158 A CB -1.736 17.211 19.000 -0.088 0.000 0.822 1158 A HN 0.174 nan 8.150 nan 0.000 0.447 1159 I N -2.617 117.909 120.570 -0.073 0.000 2.928 1159 I HA -0.070 4.099 4.170 -0.002 0.000 0.266 1159 I C 1.815 177.955 176.117 0.037 0.000 1.234 1159 I CA 0.704 62.009 61.300 0.009 0.000 1.483 1159 I CB 0.002 38.037 38.000 0.059 0.000 1.097 1159 I HN 0.407 nan 8.210 nan 0.000 0.455 1160 F N 1.148 121.013 119.950 -0.142 0.000 2.727 1160 F HA 0.070 4.596 4.527 -0.002 0.000 0.302 1160 F C 2.108 177.882 175.800 -0.044 0.000 1.097 1160 F CA 0.157 58.110 58.000 -0.079 0.000 1.330 1160 F CB -0.034 38.906 39.000 -0.101 0.000 1.084 1160 F HN 0.008 nan 8.300 nan 0.000 0.578 1161 Q N -0.371 119.413 119.800 -0.027 0.000 2.061 1161 Q HA -0.195 4.144 4.340 -0.002 0.000 0.204 1161 Q C 2.264 178.172 176.000 -0.154 0.000 0.984 1161 Q CA 1.968 57.739 55.803 -0.053 0.000 0.846 1161 Q CB -0.650 28.068 28.738 -0.033 0.000 0.902 1161 Q HN 0.279 nan 8.270 nan 0.000 0.421 1162 S N 0.978 116.576 115.700 -0.169 0.000 2.374 1162 S HA -0.185 4.284 4.470 -0.002 0.000 0.227 1162 S C 2.180 176.626 174.600 -0.258 0.000 1.037 1162 S CA 1.555 59.653 58.200 -0.169 0.000 1.024 1162 S CB -0.231 62.892 63.200 -0.129 0.000 0.861 1162 S HN 0.317 nan 8.310 nan 0.000 0.456 1163 S N 1.102 116.522 115.700 -0.468 0.000 2.345 1163 S HA 0.008 4.476 4.470 -0.002 0.000 0.219 1163 S C 1.892 176.161 174.600 -0.552 0.000 1.031 1163 S CA 1.191 59.019 58.200 -0.621 0.000 0.984 1163 S CB -0.383 62.127 63.200 -1.150 0.000 0.874 1163 S HN 0.361 nan 8.310 nan 0.000 0.451 1164 M N 2.205 121.504 119.600 -0.501 0.000 2.082 1164 M HA -0.134 4.344 4.480 -0.002 0.000 0.258 1164 M C 1.989 178.190 176.300 -0.165 0.000 1.069 1164 M CA 1.734 56.951 55.300 -0.138 0.000 1.102 1164 M CB -1.383 31.285 32.600 0.112 0.000 1.336 1164 M HN 0.230 nan 8.290 nan 0.000 0.404 1165 T N -0.035 114.429 114.554 -0.150 0.000 2.674 1165 T HA -0.184 4.165 4.350 -0.002 0.000 0.265 1165 T C 1.789 176.399 174.700 -0.151 0.000 1.039 1165 T CA 1.821 63.853 62.100 -0.113 0.000 1.150 1165 T CB -0.284 68.535 68.868 -0.082 0.000 0.864 1165 T HN 0.404 nan 8.240 nan 0.000 0.427 1166 K N 0.582 120.872 120.400 -0.184 0.000 2.032 1166 K HA -0.157 4.162 4.320 -0.002 0.000 0.218 1166 K C 2.159 178.576 176.600 -0.304 0.000 1.054 1166 K CA 1.688 57.864 56.287 -0.186 0.000 0.941 1166 K CB -0.466 31.930 32.500 -0.172 0.000 0.720 1166 K HN 0.301 nan 8.250 nan 0.000 0.449 1167 I N 0.698 120.950 120.570 -0.530 0.000 2.091 1167 I HA -0.336 3.833 4.170 -0.002 0.000 0.239 1167 I C 2.181 178.053 176.117 -0.408 0.000 1.061 1167 I CA 1.430 62.247 61.300 -0.805 0.000 1.317 1167 I CB -0.266 37.249 38.000 -0.808 0.000 1.031 1167 I HN 0.221 nan 8.210 nan 0.000 0.401 1168 L N -0.021 121.053 121.223 -0.249 0.000 2.291 1168 L HA -0.130 4.209 4.340 -0.002 0.000 0.214 1168 L C 2.522 179.343 176.870 -0.082 0.000 1.120 1168 L CA 0.401 55.157 54.840 -0.140 0.000 0.799 1168 L CB -0.590 41.426 42.059 -0.071 0.000 0.925 1168 L HN 0.303 nan 8.230 nan 0.000 0.446 1169 E N 1.208 121.353 120.200 -0.093 0.000 2.045 1169 E HA -0.242 4.107 4.350 -0.002 0.000 0.212 1169 E C -0.330 176.249 176.600 -0.035 0.000 1.039 1169 E CA 2.240 58.609 56.400 -0.050 0.000 0.860 1169 E CB -1.372 28.301 29.700 -0.045 0.000 0.776 1169 E HN 0.239 nan 8.360 nan 0.000 0.467 1170 P HA -0.164 nan 4.420 nan 0.000 0.215 1170 P C 1.644 178.911 177.300 -0.054 0.000 1.163 1170 P CA 1.552 64.656 63.100 0.006 0.000 0.894 1170 P CB -0.429 31.333 31.700 0.102 0.000 0.791 1171 F N 0.884 120.624 119.950 -0.349 0.000 2.134 1171 F HA -0.179 4.347 4.527 -0.002 0.000 0.299 1171 F C 1.915 177.617 175.800 -0.163 0.000 1.097 1171 F CA 1.626 59.405 58.000 -0.368 0.000 1.264 1171 F CB -0.367 38.272 39.000 -0.602 0.000 1.001 1171 F HN -0.243 nan 8.300 nan 0.000 0.479 1172 K N 0.371 120.749 120.400 -0.036 0.000 2.057 1172 K HA -0.220 4.099 4.320 -0.002 0.000 0.207 1172 K C 2.188 178.708 176.600 -0.133 0.000 1.049 1172 K CA 1.465 57.714 56.287 -0.064 0.000 0.931 1172 K CB -0.430 32.075 32.500 0.008 0.000 0.714 1172 K HN 0.298 nan 8.250 nan 0.000 0.440 1173 K N 1.396 121.734 120.400 -0.103 0.000 2.097 1173 K HA -0.170 4.149 4.320 -0.002 0.000 0.206 1173 K C 1.945 178.474 176.600 -0.119 0.000 1.049 1173 K CA 1.357 57.593 56.287 -0.085 0.000 0.933 1173 K CB 0.113 32.584 32.500 -0.048 0.000 0.717 1173 K HN 0.169 nan 8.250 nan 0.000 0.442 1174 Q N -0.246 119.448 119.800 -0.176 0.000 2.435 1174 Q HA 0.026 4.365 4.340 -0.002 0.000 0.207 1174 Q C -0.267 175.573 176.000 -0.267 0.000 0.956 1174 Q CA 0.519 56.209 55.803 -0.189 0.000 0.917 1174 Q CB 0.412 29.049 28.738 -0.168 0.000 0.997 1174 Q HN 0.212 nan 8.270 nan 0.000 0.497 1175 N N 0.368 118.855 118.700 -0.355 0.000 2.711 1175 N HA 0.115 4.854 4.740 -0.002 0.000 0.263 1175 N C -2.438 172.954 175.510 -0.198 0.000 1.667 1175 N CA -0.724 52.126 53.050 -0.334 0.000 0.785 1175 N CB 1.331 39.451 38.487 -0.611 0.000 1.231 1175 N HN 0.059 nan 8.380 nan 0.000 0.503 1176 P HA 0.023 nan 4.420 nan 0.000 0.237 1176 P C 0.320 177.592 177.300 -0.047 0.000 1.178 1176 P CA 0.863 63.920 63.100 -0.073 0.000 0.766 1176 P CB 0.615 32.280 31.700 -0.058 0.000 0.876 1177 D N -0.617 119.755 120.400 -0.047 0.000 2.346 1177 D HA 0.074 4.713 4.640 -0.002 0.000 0.206 1177 D C 0.988 177.287 176.300 -0.002 0.000 1.001 1177 D CA 0.259 54.245 54.000 -0.023 0.000 0.871 1177 D CB 0.122 40.910 40.800 -0.020 0.000 0.943 1177 D HN 0.154 nan 8.370 nan 0.000 0.518 1178 I N 1.836 122.407 120.570 0.002 0.000 2.496 1178 I HA 0.047 4.216 4.170 -0.002 0.000 0.285 1178 I C 0.404 176.563 176.117 0.069 0.000 1.080 1178 I CA -0.178 61.158 61.300 0.061 0.000 1.404 1178 I CB 1.096 39.165 38.000 0.114 0.000 1.403 1178 I HN -0.334 nan 8.210 nan 0.000 0.539 1179 V N 7.853 127.813 119.914 0.076 0.000 2.472 1179 V HA 0.452 4.571 4.120 -0.002 0.000 0.290 1179 V C 0.228 176.388 176.094 0.111 0.000 1.037 1179 V CA -0.487 61.852 62.300 0.065 0.000 0.908 1179 V CB 2.073 33.908 31.823 0.020 0.000 0.985 1179 V HN 0.456 nan 8.190 nan 0.000 0.454 1180 I N 4.940 125.582 120.570 0.120 0.000 2.478 1180 I HA 0.418 4.587 4.170 -0.002 0.000 0.287 1180 I C -1.532 174.718 176.117 0.221 0.000 1.042 1180 I CA -0.675 60.718 61.300 0.156 0.000 1.067 1180 I CB 1.909 39.981 38.000 0.120 0.000 1.233 1180 I HN 0.605 nan 8.210 nan 0.000 0.431 1181 Y N 6.246 126.619 120.300 0.121 0.000 2.425 1181 Y HA 0.454 5.003 4.550 -0.002 0.000 0.344 1181 Y C -0.853 175.207 175.900 0.267 0.000 0.969 1181 Y CA -0.876 57.308 58.100 0.139 0.000 1.052 1181 Y CB 1.816 40.310 38.460 0.057 0.000 1.215 1181 Y HN 0.548 nan 8.280 nan 0.000 0.451 1182 Q N 5.237 124.855 119.800 -0.304 0.000 2.322 1182 Q HA 0.391 4.730 4.340 -0.002 0.000 0.265 1182 Q C -2.301 173.445 176.000 -0.423 0.000 0.985 1182 Q CA -0.852 54.819 55.803 -0.220 0.000 0.849 1182 Q CB 1.387 30.109 28.738 -0.027 0.000 1.274 1182 Q HN 0.787 nan 8.270 nan 0.000 0.449 1183 Y N 5.540 125.703 120.300 -0.228 0.000 2.422 1183 Y HA 0.293 4.842 4.550 -0.002 0.000 0.344 1183 Y C -1.092 174.879 175.900 0.118 0.000 1.097 1183 Y CA -0.507 57.529 58.100 -0.105 0.000 1.307 1183 Y CB 0.775 39.161 38.460 -0.124 0.000 1.102 1183 Y HN 0.861 nan 8.280 nan 0.000 0.520 1184 M N 5.827 125.282 119.600 -0.241 0.000 3.994 1184 M HA -0.317 4.162 4.480 -0.002 0.000 0.157 1184 M C -0.092 176.290 176.300 0.136 0.000 1.524 1184 M CA 1.724 56.971 55.300 -0.088 0.000 1.081 1184 M CB -0.520 31.997 32.600 -0.138 0.000 1.342 1184 M HN 0.935 nan 8.290 nan 0.000 0.250 1185 D N -1.189 119.289 120.400 0.130 0.000 2.705 1185 D HA -0.160 4.479 4.640 -0.002 0.000 0.187 1185 D C -0.398 175.866 176.300 -0.060 0.000 1.015 1185 D CA 2.307 56.293 54.000 -0.023 0.000 1.030 1185 D CB -0.432 40.369 40.800 0.001 0.000 1.100 1185 D HN 0.702 nan 8.370 nan 0.000 0.439 1186 D N -0.066 120.359 120.400 0.041 0.000 2.481 1186 D HA 0.499 5.138 4.640 -0.002 0.000 0.244 1186 D C 0.054 176.312 176.300 -0.070 0.000 1.057 1186 D CA -0.463 53.511 54.000 -0.044 0.000 0.848 1186 D CB 1.579 42.365 40.800 -0.024 0.000 1.388 1186 D HN 0.013 nan 8.370 nan 0.000 0.475 1187 L N 1.815 122.936 121.223 -0.169 0.000 2.307 1187 L HA 0.340 4.679 4.340 -0.002 0.000 0.284 1187 L C -0.934 175.801 176.870 -0.226 0.000 1.023 1187 L CA -0.816 53.964 54.840 -0.100 0.000 0.810 1187 L CB 0.904 42.923 42.059 -0.067 0.000 1.231 1187 L HN 0.288 nan 8.230 nan 0.000 0.423 1188 Y N 3.155 123.499 120.300 0.073 0.000 2.417 1188 Y HA 0.389 4.938 4.550 -0.002 0.000 0.336 1188 Y C 0.026 175.989 175.900 0.104 0.000 0.961 1188 Y CA -0.616 57.552 58.100 0.113 0.000 1.215 1188 Y CB 1.783 40.357 38.460 0.191 0.000 1.120 1188 Y HN 0.227 nan 8.280 nan 0.000 0.499 1189 V N 3.771 123.785 119.914 0.166 0.000 2.448 1189 V HA 0.968 5.087 4.120 -0.002 0.000 0.295 1189 V C -0.329 175.879 176.094 0.191 0.000 1.025 1189 V CA -0.193 62.195 62.300 0.147 0.000 0.859 1189 V CB 1.115 32.978 31.823 0.067 0.000 0.988 1189 V HN 0.776 nan 8.190 nan 0.000 0.431 1190 G N 4.269 113.174 108.800 0.174 0.000 2.571 1190 G HA2 0.736 4.695 3.960 -0.002 0.000 0.304 1190 G HA3 0.736 4.695 3.960 -0.002 0.000 0.304 1190 G C -0.803 174.188 174.900 0.152 0.000 1.314 1190 G CA -0.034 45.161 45.100 0.159 0.000 0.975 1190 G HN 1.451 nan 8.290 nan 0.000 0.485 1191 S N -0.368 115.435 115.700 0.172 0.000 2.651 1191 S HA 0.538 5.007 4.470 -0.002 0.000 0.279 1191 S C -0.825 173.813 174.600 0.062 0.000 1.148 1191 S CA -0.726 57.559 58.200 0.142 0.000 0.837 1191 S CB 2.347 65.688 63.200 0.235 0.000 1.138 1191 S HN 0.256 nan 8.310 nan 0.000 0.478 1192 D N 0.819 121.244 120.400 0.042 0.000 2.342 1192 D HA 0.323 4.962 4.640 -0.002 0.000 0.221 1192 D C 0.371 176.688 176.300 0.028 0.000 1.101 1192 D CA 0.037 54.044 54.000 0.012 0.000 0.837 1192 D CB -0.200 40.599 40.800 -0.001 0.000 0.938 1192 D HN 0.444 nan 8.370 nan 0.000 0.508 1193 L N 1.019 122.284 121.223 0.070 0.000 2.473 1193 L HA 0.090 4.429 4.340 -0.002 0.000 0.268 1193 L C 1.187 178.100 176.870 0.071 0.000 1.215 1193 L CA -0.176 54.713 54.840 0.081 0.000 0.823 1193 L CB 0.568 42.703 42.059 0.126 0.000 1.099 1193 L HN -0.132 nan 8.230 nan 0.000 0.483 1194 E N 0.810 121.046 120.200 0.061 0.000 2.404 1194 E HA 0.002 4.351 4.350 -0.002 0.000 0.261 1194 E C 0.943 177.596 176.600 0.088 0.000 1.074 1194 E CA -0.546 55.884 56.400 0.050 0.000 0.917 1194 E CB 0.841 30.562 29.700 0.035 0.000 0.965 1194 E HN 0.334 nan 8.360 nan 0.000 0.433 1195 I N 2.154 122.767 120.570 0.072 0.000 2.074 1195 I HA -0.314 3.855 4.170 -0.002 0.000 0.238 1195 I C 2.371 178.574 176.117 0.144 0.000 1.037 1195 I CA 2.228 63.593 61.300 0.109 0.000 1.301 1195 I CB -1.626 36.422 38.000 0.080 0.000 1.016 1195 I HN 0.812 nan 8.210 nan 0.000 0.400 1196 G N -0.581 108.277 108.800 0.097 0.000 2.491 1196 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.218 1196 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.218 1196 G C 1.597 176.552 174.900 0.092 0.000 1.180 1196 G CA 1.125 46.276 45.100 0.084 0.000 0.774 1196 G HN 0.534 nan 8.290 nan 0.000 0.562 1197 Q N -0.724 119.131 119.800 0.092 0.000 2.014 1197 Q HA -0.199 4.140 4.340 -0.002 0.000 0.207 1197 Q C 2.259 178.327 176.000 0.114 0.000 0.993 1197 Q CA 1.801 57.657 55.803 0.088 0.000 0.850 1197 Q CB -0.379 28.406 28.738 0.078 0.000 0.916 1197 Q HN 0.782 nan 8.270 nan 0.000 0.417 1198 H N 0.678 119.782 119.070 0.057 0.000 2.289 1198 H HA -0.134 4.421 4.556 -0.002 0.000 0.294 1198 H C 1.993 177.364 175.328 0.072 0.000 1.095 1198 H CA 2.074 58.163 56.048 0.068 0.000 1.256 1198 H CB 0.144 29.943 29.762 0.063 0.000 1.359 1198 H HN 0.060 nan 8.280 nan 0.000 0.487 1199 R N -0.700 119.857 120.500 0.094 0.000 2.096 1199 R HA -0.101 4.238 4.340 -0.002 0.000 0.235 1199 R C 2.356 178.648 176.300 -0.014 0.000 1.127 1199 R CA 1.640 57.756 56.100 0.027 0.000 0.968 1199 R CB -0.516 29.847 30.300 0.105 0.000 0.861 1199 R HN 0.421 nan 8.270 nan 0.000 0.440 1200 T N 1.201 115.767 114.554 0.021 0.000 2.708 1200 T HA -0.117 4.232 4.350 -0.002 0.000 0.266 1200 T C 1.684 176.408 174.700 0.039 0.000 1.037 1200 T CA 1.332 63.450 62.100 0.031 0.000 1.146 1200 T CB -0.066 68.830 68.868 0.046 0.000 0.865 1200 T HN 0.034 nan 8.240 nan 0.000 0.435 1201 K N 0.666 121.089 120.400 0.038 0.000 2.209 1201 K HA 0.082 4.400 4.320 -0.002 0.000 0.204 1201 K C 1.910 178.549 176.600 0.065 0.000 1.048 1201 K CA 0.512 56.879 56.287 0.134 0.000 0.940 1201 K CB -0.427 32.163 32.500 0.149 0.000 0.729 1201 K HN 0.243 nan 8.250 nan 0.000 0.451 1202 I N 0.496 121.000 120.570 -0.111 0.000 2.233 1202 I HA -0.169 4.000 4.170 -0.002 0.000 0.243 1202 I C 2.147 178.204 176.117 -0.101 0.000 1.093 1202 I CA 1.203 62.407 61.300 -0.160 0.000 1.380 1202 I CB -1.016 36.870 38.000 -0.189 0.000 1.067 1202 I HN 0.202 nan 8.210 nan 0.000 0.413 1203 E N 1.490 121.662 120.200 -0.045 0.000 2.038 1203 E HA -0.286 4.063 4.350 -0.002 0.000 0.195 1203 E C 2.156 178.758 176.600 0.003 0.000 1.000 1203 E CA 1.928 58.317 56.400 -0.018 0.000 0.803 1203 E CB -0.363 29.338 29.700 0.001 0.000 0.750 1203 E HN 0.454 nan 8.360 nan 0.000 0.448 1204 E N -0.699 119.536 120.200 0.058 0.000 2.171 1204 E HA -0.225 4.124 4.350 -0.002 0.000 0.197 1204 E C 2.026 178.728 176.600 0.170 0.000 0.997 1204 E CA 1.260 57.748 56.400 0.146 0.000 0.810 1204 E CB -0.210 29.657 29.700 0.279 0.000 0.738 1204 E HN 0.330 nan 8.360 nan 0.000 0.467 1205 L N 0.932 122.105 121.223 -0.083 0.000 2.044 1205 L HA -0.087 4.252 4.340 -0.002 0.000 0.205 1205 L C 2.250 179.048 176.870 -0.121 0.000 1.075 1205 L CA 1.483 56.079 54.840 -0.406 0.000 0.747 1205 L CB -0.404 41.167 42.059 -0.814 0.000 0.903 1205 L HN -0.032 nan 8.230 nan 0.000 0.435 1206 R N -0.046 120.397 120.500 -0.095 0.000 2.154 1206 R HA -0.163 4.176 4.340 -0.002 0.000 0.248 1206 R C 2.153 178.455 176.300 0.003 0.000 1.155 1206 R CA 1.273 57.346 56.100 -0.044 0.000 0.979 1206 R CB -0.744 29.532 30.300 -0.041 0.000 0.869 1206 R HN 0.577 nan 8.270 nan 0.000 0.452 1207 Q N -0.939 118.861 119.800 0.001 0.000 2.172 1207 Q HA -0.090 4.249 4.340 -0.002 0.000 0.200 1207 Q C 1.958 177.961 176.000 0.005 0.000 0.964 1207 Q CA 1.113 56.907 55.803 -0.016 0.000 0.855 1207 Q CB -0.254 28.446 28.738 -0.063 0.000 0.918 1207 Q HN 0.585 nan 8.270 nan 0.000 0.444 1208 H N 0.639 119.749 119.070 0.067 0.000 2.293 1208 H HA -0.068 4.487 4.556 -0.002 0.000 0.300 1208 H C 2.228 177.687 175.328 0.217 0.000 1.082 1208 H CA 1.500 57.635 56.048 0.145 0.000 1.308 1208 H CB -0.128 29.666 29.762 0.054 0.000 1.375 1208 H HN 0.065 nan 8.280 nan 0.000 0.495 1209 L N -0.317 121.039 121.223 0.222 0.000 2.012 1209 L HA -0.201 4.138 4.340 -0.002 0.000 0.210 1209 L C 2.307 179.331 176.870 0.256 0.000 1.073 1209 L CA 0.625 55.580 54.840 0.191 0.000 0.748 1209 L CB -0.420 41.676 42.059 0.062 0.000 0.891 1209 L HN 0.252 nan 8.230 nan 0.000 0.431 1210 L N 0.121 121.442 121.223 0.163 0.000 2.137 1210 L HA -0.224 4.114 4.340 -0.002 0.000 0.213 1210 L C 2.380 179.334 176.870 0.139 0.000 1.085 1210 L CA 1.721 56.633 54.840 0.119 0.000 0.760 1210 L CB -0.600 41.494 42.059 0.058 0.000 0.893 1210 L HN 0.094 nan 8.230 nan 0.000 0.434 1211 R N -1.830 118.794 120.500 0.208 0.000 2.339 1211 R HA -0.062 4.277 4.340 -0.002 0.000 0.199 1211 R C 1.044 177.297 176.300 -0.079 0.000 1.018 1211 R CA 0.633 56.756 56.100 0.039 0.000 1.036 1211 R CB -0.376 29.914 30.300 -0.016 0.000 0.899 1211 R HN 0.514 nan 8.270 nan 0.000 0.473 1212 W N -0.654 120.686 121.300 0.067 0.000 2.304 1212 W HA 0.399 5.057 4.660 -0.002 0.000 0.326 1212 W C -0.226 176.348 176.519 0.092 0.000 0.920 1212 W CA 0.171 57.572 57.345 0.093 0.000 1.518 1212 W CB 1.056 30.592 29.460 0.127 0.000 1.112 1212 W HN 0.080 nan 8.180 nan 0.000 0.528 1213 G N 2.517 111.456 108.800 0.231 0.000 3.435 1213 G HA2 -0.087 3.872 3.960 -0.002 0.000 0.683 1213 G HA3 -0.087 3.872 3.960 -0.002 0.000 0.683 1213 G C -0.716 174.249 174.900 0.108 0.000 1.189 1213 G CA -0.751 44.439 45.100 0.150 0.000 1.069 1213 G HN 0.045 nan 8.290 nan 0.000 0.508 1231 G N 1.269 110.080 108.800 0.018 0.000 2.771 1231 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.214 1231 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.214 1231 G C -0.281 174.651 174.900 0.053 0.000 1.331 1231 G CA 1.050 46.154 45.100 0.007 0.000 0.812 1231 G HN 0.446 nan 8.290 nan 0.000 0.628 1232 Y N 1.670 121.956 120.300 -0.024 0.000 2.326 1232 Y HA 0.412 4.961 4.550 -0.002 0.000 0.331 1232 Y C -0.567 175.330 175.900 -0.004 0.000 0.962 1232 Y CA -1.994 56.100 58.100 -0.009 0.000 1.167 1232 Y CB 1.187 39.643 38.460 -0.007 0.000 1.148 1232 Y HN 0.192 nan 8.280 nan 0.000 0.463 1233 E N 6.074 126.494 120.200 0.366 0.000 2.129 1233 E HA 0.218 4.567 4.350 -0.002 0.000 0.283 1233 E C -1.274 175.236 176.600 -0.151 0.000 1.080 1233 E CA -0.379 56.062 56.400 0.068 0.000 0.867 1233 E CB 1.509 31.269 29.700 0.100 0.000 1.056 1233 E HN 0.378 nan 8.360 nan 0.000 0.404 1234 L N 3.797 124.765 121.223 -0.424 0.000 2.408 1234 L HA 0.279 4.618 4.340 -0.002 0.000 0.268 1234 L C -0.848 175.592 176.870 -0.716 0.000 0.986 1234 L CA -0.679 53.889 54.840 -0.452 0.000 0.820 1234 L CB 1.387 43.285 42.059 -0.269 0.000 1.303 1234 L HN 0.438 nan 8.230 nan 0.000 0.411 1235 H N 5.521 124.443 119.070 -0.248 0.000 2.423 1235 H HA 0.307 4.862 4.556 -0.002 0.000 0.237 1235 H C -2.032 172.786 175.328 -0.850 0.000 1.391 1235 H CA -1.359 54.455 56.048 -0.390 0.000 1.453 1235 H CB 0.953 30.589 29.762 -0.210 0.000 1.484 1235 H HN 0.436 nan 8.280 nan 0.000 0.505 1236 P HA -0.146 nan 4.420 nan 0.000 0.221 1236 P C 1.119 177.850 177.300 -0.947 0.000 1.150 1236 P CA 1.117 63.026 63.100 -1.985 0.000 0.800 1236 P CB 0.387 31.315 31.700 -1.287 0.000 0.787 1237 D N 0.359 120.458 120.400 -0.502 0.000 2.310 1237 D HA -0.161 4.478 4.640 -0.002 0.000 0.212 1237 D C 1.427 177.633 176.300 -0.157 0.000 0.965 1237 D CA 1.209 55.062 54.000 -0.244 0.000 0.879 1237 D CB -0.601 40.099 40.800 -0.165 0.000 0.921 1237 D HN 0.036 nan 8.370 nan 0.000 0.510 1238 K N -0.715 119.569 120.400 -0.195 0.000 2.417 1238 K HA 0.139 4.458 4.320 -0.002 0.000 0.196 1238 K C -0.542 176.140 176.600 0.137 0.000 1.023 1238 K CA -0.324 55.942 56.287 -0.035 0.000 1.122 1238 K CB 0.061 32.547 32.500 -0.023 0.000 0.850 1238 K HN 0.147 nan 8.250 nan 0.000 0.521 1239 W N 1.011 122.322 121.300 0.018 0.000 2.356 1239 W HA 0.252 4.911 4.660 -0.002 0.000 0.311 1239 W C 0.233 176.762 176.519 0.017 0.000 1.328 1239 W CA -0.668 56.689 57.345 0.021 0.000 1.251 1239 W CB 0.357 29.817 29.460 0.001 0.000 1.280 1239 W HN -0.232 nan 8.180 nan 0.000 0.524 1240 T N 2.382 117.081 114.554 0.242 0.000 2.924 1240 T HA 0.423 4.772 4.350 -0.002 0.000 0.291 1240 T C -0.258 174.501 174.700 0.100 0.000 1.045 1240 T CA -0.635 61.550 62.100 0.141 0.000 1.015 1240 T CB 1.805 70.737 68.868 0.108 0.000 1.103 1240 T HN 0.190 nan 8.240 nan 0.000 0.496 1241 V N 2.107 122.069 119.914 0.080 0.000 2.637 1241 V HA 0.429 4.548 4.120 -0.002 0.000 0.296 1241 V C 0.290 176.412 176.094 0.048 0.000 1.046 1241 V CA -0.641 61.695 62.300 0.060 0.000 1.066 1241 V CB 0.723 32.594 31.823 0.081 0.000 0.968 1241 V HN 0.785 nan 8.190 nan 0.000 0.483 1242 Q N 6.379 126.188 119.800 0.016 0.000 2.534 1242 Q HA 0.386 4.725 4.340 -0.002 0.000 0.223 1242 Q C -2.469 173.569 176.000 0.065 0.000 1.239 1242 Q CA -1.700 54.117 55.803 0.023 0.000 0.936 1242 Q CB 0.118 28.839 28.738 -0.029 0.000 1.457 1242 Q HN 0.743 nan 8.270 nan 0.000 0.547 1243 P HA -0.002 nan 4.420 nan 0.000 0.267 1243 P C -0.713 176.630 177.300 0.071 0.000 1.209 1243 P CA -0.234 62.904 63.100 0.064 0.000 0.763 1243 P CB 0.324 32.041 31.700 0.029 0.000 0.816 1244 I N 3.695 124.319 120.570 0.090 0.000 2.828 1244 I HA -0.083 4.086 4.170 -0.002 0.000 0.292 1244 I C 0.639 176.773 176.117 0.027 0.000 1.206 1244 I CA 0.510 61.862 61.300 0.086 0.000 1.420 1244 I CB -0.555 37.483 38.000 0.064 0.000 1.368 1244 I HN 0.114 nan 8.210 nan 0.000 0.556 1245 V N 5.856 125.800 119.914 0.050 0.000 2.483 1245 V HA 0.595 4.714 4.120 -0.002 0.000 0.295 1245 V C -0.282 175.841 176.094 0.048 0.000 1.035 1245 V CA -0.964 61.359 62.300 0.038 0.000 0.896 1245 V CB 1.703 33.552 31.823 0.044 0.000 0.986 1245 V HN 0.342 nan 8.190 nan 0.000 0.447 1246 L N 5.156 126.407 121.223 0.047 0.000 2.295 1246 L HA 0.600 4.939 4.340 -0.002 0.000 0.285 1246 L C -1.896 175.041 176.870 0.112 0.000 1.035 1246 L CA -1.776 53.110 54.840 0.077 0.000 0.806 1246 L CB 0.754 42.848 42.059 0.058 0.000 1.214 1246 L HN 0.557 nan 8.230 nan 0.000 0.426 1247 P HA 0.096 nan 4.420 nan 0.000 0.267 1247 P C 0.040 177.455 177.300 0.191 0.000 1.201 1247 P CA -0.032 63.153 63.100 0.141 0.000 0.775 1247 P CB 1.369 33.166 31.700 0.161 0.000 0.854 1248 E N 0.584 120.825 120.200 0.069 0.000 2.340 1248 E HA -0.047 4.302 4.350 -0.002 0.000 0.198 1248 E C 0.541 177.011 176.600 -0.217 0.000 0.961 1248 E CA -0.302 56.124 56.400 0.043 0.000 0.905 1248 E CB 0.031 29.738 29.700 0.012 0.000 0.884 1248 E HN 0.319 nan 8.360 nan 0.000 0.491 1249 K N 0.384 120.593 120.400 -0.318 0.000 1.692 1249 K HA -0.289 4.030 4.320 -0.002 0.000 0.132 1249 K C 0.738 177.026 176.600 -0.521 0.000 1.028 1249 K CA 2.418 58.354 56.287 -0.584 0.000 0.304 1249 K CB -1.238 30.487 32.500 -1.291 0.000 0.686 1249 K HN 0.462 nan 8.250 nan 0.000 0.815 1250 D N -3.074 116.879 120.400 -0.744 0.000 4.220 1250 D HA -0.097 4.542 4.640 -0.002 0.000 0.292 1250 D C -0.528 175.583 176.300 -0.316 0.000 0.392 1250 D CA 0.864 54.627 54.000 -0.396 0.000 0.705 1250 D CB -1.001 39.663 40.800 -0.227 0.000 1.582 1250 D HN 0.513 nan 8.370 nan 0.000 0.126 1251 S N -0.170 115.303 115.700 -0.378 0.000 2.571 1251 S HA 0.492 4.961 4.470 -0.002 0.000 0.238 1251 S C -0.640 173.876 174.600 -0.140 0.000 1.153 1251 S CA -0.785 57.321 58.200 -0.156 0.000 1.141 1251 S CB 0.250 63.406 63.200 -0.074 0.000 1.133 1251 S HN 0.271 nan 8.310 nan 0.000 0.464 1252 W N 3.067 124.367 121.300 0.000 0.000 2.150 1252 W HA 0.397 5.056 4.660 -0.002 0.000 0.341 1252 W C 0.898 177.418 176.519 0.002 0.000 1.276 1252 W CA -0.064 57.281 57.345 0.001 0.000 1.238 1252 W CB 1.666 31.128 29.460 0.002 0.000 1.128 1252 W HN 0.755 nan 8.180 nan 0.000 0.581 1253 T N -2.251 112.444 114.554 0.235 0.000 2.949 1253 T HA 0.322 4.671 4.350 -0.002 0.000 0.287 1253 T C 0.908 175.689 174.700 0.136 0.000 1.034 1253 T CA -0.834 61.350 62.100 0.140 0.000 1.018 1253 T CB 1.442 70.359 68.868 0.081 0.000 1.135 1253 T HN 0.141 nan 8.240 nan 0.000 0.532 1254 V N 1.447 121.412 119.914 0.085 0.000 2.278 1254 V HA -0.274 3.844 4.120 -0.002 0.000 0.251 1254 V C 2.752 178.888 176.094 0.069 0.000 1.062 1254 V CA 2.590 64.928 62.300 0.063 0.000 1.038 1254 V CB -1.316 30.532 31.823 0.043 0.000 0.646 1254 V HN 1.025 nan 8.190 nan 0.000 0.447 1255 N N -0.288 118.454 118.700 0.069 0.000 2.043 1255 N HA -0.233 4.506 4.740 -0.002 0.000 0.193 1255 N C 1.614 177.184 175.510 0.100 0.000 1.037 1255 N CA 1.701 54.792 53.050 0.068 0.000 0.851 1255 N CB -0.096 38.422 38.487 0.052 0.000 1.027 1255 N HN 0.521 nan 8.380 nan 0.000 0.422 1256 D N 0.956 121.444 120.400 0.146 0.000 2.103 1256 D HA -0.196 4.442 4.640 -0.002 0.000 0.190 1256 D C 2.017 178.463 176.300 0.244 0.000 0.997 1256 D CA 1.119 55.263 54.000 0.241 0.000 0.833 1256 D CB -0.536 40.484 40.800 0.366 0.000 0.961 1256 D HN 0.466 nan 8.370 nan 0.000 0.447 1257 I N 0.467 121.146 120.570 0.182 0.000 2.286 1257 I HA -0.267 3.902 4.170 -0.002 0.000 0.248 1257 I C 2.117 178.243 176.117 0.014 0.000 1.115 1257 I CA 1.489 62.790 61.300 0.001 0.000 1.392 1257 I CB -0.289 37.671 38.000 -0.067 0.000 1.065 1257 I HN -0.048 nan 8.210 nan 0.000 0.418 1258 Q N 0.639 120.467 119.800 0.047 0.000 2.002 1258 Q HA -0.217 4.121 4.340 -0.002 0.000 0.204 1258 Q C 2.122 178.165 176.000 0.072 0.000 0.988 1258 Q CA 1.930 57.762 55.803 0.048 0.000 0.843 1258 Q CB -0.252 28.517 28.738 0.051 0.000 0.908 1258 Q HN 0.482 nan 8.270 nan 0.000 0.420 1259 K N 0.788 121.243 120.400 0.092 0.000 2.147 1259 K HA -0.109 4.210 4.320 -0.002 0.000 0.205 1259 K C 2.013 178.693 176.600 0.133 0.000 1.049 1259 K CA 0.598 56.959 56.287 0.122 0.000 0.936 1259 K CB -0.661 31.902 32.500 0.106 0.000 0.722 1259 K HN 0.239 nan 8.250 nan 0.000 0.446 1260 L N 1.821 123.101 121.223 0.096 0.000 2.017 1260 L HA -0.132 4.207 4.340 -0.002 0.000 0.208 1260 L C 2.255 179.134 176.870 0.015 0.000 1.073 1260 L CA 1.852 56.729 54.840 0.061 0.000 0.745 1260 L CB -0.696 41.364 42.059 0.003 0.000 0.894 1260 L HN 0.074 nan 8.230 nan 0.000 0.432 1261 V N -2.080 117.832 119.914 -0.004 0.000 2.667 1261 V HA 0.020 4.139 4.120 -0.002 0.000 0.252 1261 V C 2.498 178.590 176.094 -0.003 0.000 1.065 1261 V CA 1.261 63.547 62.300 -0.023 0.000 1.083 1261 V CB -1.704 30.102 31.823 -0.028 0.000 0.692 1261 V HN 0.403 nan 8.190 nan 0.000 0.468 1262 G N 2.335 111.176 108.800 0.069 0.000 2.586 1262 G HA2 -0.368 3.591 3.960 -0.002 0.000 0.218 1262 G HA3 -0.368 3.591 3.960 -0.002 0.000 0.218 1262 G C 1.560 176.428 174.900 -0.054 0.000 1.216 1262 G CA 1.685 46.874 45.100 0.148 0.000 0.786 1262 G HN 0.770 nan 8.290 nan 0.000 0.583 1263 K N 0.288 120.665 120.400 -0.039 0.000 2.155 1263 K HA 0.197 4.516 4.320 -0.002 0.000 0.203 1263 K C 2.492 178.923 176.600 -0.281 0.000 1.052 1263 K CA 0.743 56.738 56.287 -0.487 0.000 0.948 1263 K CB -0.441 32.108 32.500 0.081 0.000 0.728 1263 K HN 0.350 nan 8.250 nan 0.000 0.448 1264 L N 2.250 123.396 121.223 -0.128 0.000 2.042 1264 L HA -0.222 4.117 4.340 -0.002 0.000 0.210 1264 L C 2.771 179.569 176.870 -0.120 0.000 1.076 1264 L CA 1.689 56.467 54.840 -0.103 0.000 0.749 1264 L CB -0.746 41.266 42.059 -0.078 0.000 0.893 1264 L HN 0.525 nan 8.230 nan 0.000 0.432 1265 N N -0.422 118.196 118.700 -0.137 0.000 2.120 1265 N HA -0.276 4.463 4.740 -0.002 0.000 0.188 1265 N C 2.033 177.436 175.510 -0.180 0.000 1.024 1265 N CA 1.371 54.342 53.050 -0.131 0.000 0.852 1265 N CB -0.223 38.208 38.487 -0.093 0.000 1.003 1265 N HN 0.479 nan 8.380 nan 0.000 0.424 1266 W N 1.781 122.727 121.300 -0.591 0.000 2.333 1266 W HA -0.194 4.465 4.660 -0.002 0.000 0.316 1266 W C 2.322 178.672 176.519 -0.281 0.000 1.215 1266 W CA 1.986 58.939 57.345 -0.653 0.000 1.278 1266 W CB -0.458 28.150 29.460 -1.420 0.000 1.154 1266 W HN 0.173 nan 8.180 nan 0.000 0.486 1267 A N 0.385 123.161 122.820 -0.073 0.000 1.948 1267 A HA -0.315 4.004 4.320 -0.002 0.000 0.220 1267 A C 2.076 179.672 177.584 0.020 0.000 1.177 1267 A CA 2.725 54.783 52.037 0.035 0.000 0.636 1267 A CB -1.501 17.505 19.000 0.009 0.000 0.815 1267 A HN 0.409 nan 8.150 nan 0.000 0.449 1268 S N -0.303 115.361 115.700 -0.061 0.000 2.390 1268 S HA -0.376 4.093 4.470 -0.002 0.000 0.234 1268 S C 1.969 176.516 174.600 -0.087 0.000 1.063 1268 S CA 2.267 60.428 58.200 -0.065 0.000 1.108 1268 S CB -0.566 62.577 63.200 -0.096 0.000 0.975 1268 S HN 0.692 nan 8.310 nan 0.000 0.442 1269 Q N -0.285 119.405 119.800 -0.183 0.000 2.515 1269 Q HA 0.182 4.521 4.340 -0.002 0.000 0.215 1269 Q C -0.123 175.798 176.000 -0.131 0.000 0.983 1269 Q CA 0.623 56.290 55.803 -0.227 0.000 0.905 1269 Q CB -0.074 28.399 28.738 -0.441 0.000 0.961 1269 Q HN 0.601 nan 8.270 nan 0.000 0.503 1270 I N -2.018 118.514 120.570 -0.063 0.000 2.827 1270 I HA 0.184 4.352 4.170 -0.002 0.000 0.298 1270 I C -1.651 174.504 176.117 0.064 0.000 1.235 1270 I CA -1.131 60.118 61.300 -0.086 0.000 1.021 1270 I CB 1.347 39.242 38.000 -0.174 0.000 1.259 1270 I HN 0.178 nan 8.210 nan 0.000 0.427 1271 Y N 3.852 124.141 120.300 -0.018 0.000 2.965 1271 Y HA -0.113 4.436 4.550 -0.002 0.000 0.095 1271 Y C -2.298 173.597 175.900 -0.009 0.000 2.131 1271 Y CA -0.476 57.621 58.100 -0.004 0.000 1.038 1271 Y CB -1.634 36.821 38.460 -0.010 0.000 1.689 1271 Y HN 0.407 nan 8.280 nan 0.000 0.323 1272 P HA 0.209 nan 4.420 nan 0.000 0.261 1272 P C 1.056 178.392 177.300 0.060 0.000 1.183 1272 P CA 2.193 65.335 63.100 0.069 0.000 0.761 1272 P CB 0.675 32.429 31.700 0.089 0.000 0.785 1273 G N 2.678 111.496 108.800 0.030 0.000 2.336 1273 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.194 1273 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.194 1273 G C 0.041 174.940 174.900 -0.003 0.000 0.999 1273 G CA -0.617 44.488 45.100 0.008 0.000 0.669 1273 G HN 0.437 nan 8.290 nan 0.000 0.482 1274 I N 1.599 122.173 120.570 0.007 0.000 2.826 1274 I HA 0.375 4.544 4.170 -0.002 0.000 0.295 1274 I C 0.476 176.574 176.117 -0.032 0.000 1.213 1274 I CA 0.470 61.759 61.300 -0.019 0.000 1.436 1274 I CB 0.949 38.940 38.000 -0.015 0.000 1.348 1274 I HN 0.110 nan 8.210 nan 0.000 0.570 1275 K N 5.358 125.732 120.400 -0.043 0.000 2.413 1275 K HA 0.444 4.763 4.320 -0.002 0.000 0.257 1275 K C 0.028 176.594 176.600 -0.056 0.000 0.946 1275 K CA -0.413 55.846 56.287 -0.046 0.000 0.823 1275 K CB 1.686 34.161 32.500 -0.042 0.000 1.109 1275 K HN 0.291 nan 8.250 nan 0.000 0.427 1276 V N 4.816 124.697 119.914 -0.056 0.000 3.661 1276 V HA 0.198 4.317 4.120 -0.002 0.000 0.271 1276 V C 1.760 177.818 176.094 -0.060 0.000 1.315 1276 V CA 0.726 62.989 62.300 -0.062 0.000 1.072 1276 V CB -0.117 31.671 31.823 -0.059 0.000 0.830 1276 V HN 0.805 nan 8.190 nan 0.000 0.443 1277 R N -0.120 120.349 120.500 -0.052 0.000 2.234 1277 R HA -0.157 4.182 4.340 -0.002 0.000 0.209 1277 R C 2.272 178.539 176.300 -0.054 0.000 1.077 1277 R CA 2.286 58.359 56.100 -0.046 0.000 0.866 1277 R CB -0.447 29.830 30.300 -0.039 0.000 0.764 1277 R HN 0.419 nan 8.270 nan 0.000 0.459 1278 Q N 0.086 119.854 119.800 -0.053 0.000 2.277 1278 Q HA -0.319 4.020 4.340 -0.002 0.000 0.222 1278 Q C 2.017 177.973 176.000 -0.072 0.000 1.083 1278 Q CA 2.216 57.984 55.803 -0.058 0.000 0.964 1278 Q CB -1.137 27.563 28.738 -0.062 0.000 1.088 1278 Q HN 0.442 nan 8.270 nan 0.000 0.477 1279 L N -0.030 121.136 121.223 -0.095 0.000 2.034 1279 L HA -0.260 4.079 4.340 -0.002 0.000 0.217 1279 L C 2.678 179.496 176.870 -0.087 0.000 1.077 1279 L CA 1.601 56.369 54.840 -0.120 0.000 0.769 1279 L CB -1.789 40.182 42.059 -0.147 0.000 0.890 1279 L HN 0.445 nan 8.230 nan 0.000 0.435 1280 C N 0.344 119.605 119.300 -0.066 0.000 2.514 1280 C HA -0.244 4.215 4.460 -0.002 0.000 0.282 1280 C C 1.891 176.858 174.990 -0.038 0.000 1.172 1280 C CA 0.382 59.373 59.018 -0.046 0.000 1.792 1280 C CB -0.804 26.915 27.740 -0.036 0.000 1.930 1280 C HN 0.371 nan 8.230 nan 0.000 0.417 1281 K N 1.114 121.494 120.400 -0.033 0.000 1.895 1281 K HA 0.128 4.447 4.320 -0.002 0.000 0.229 1281 K C -0.521 176.061 176.600 -0.030 0.000 1.161 1281 K CA 0.283 56.554 56.287 -0.026 0.000 1.288 1281 K CB -0.573 31.912 32.500 -0.024 0.000 0.962 1281 K HN 0.318 nan 8.250 nan 0.000 0.326 1287 K N 1.882 122.289 120.400 0.011 0.000 2.138 1287 K HA 0.850 5.169 4.320 -0.002 0.000 0.263 1287 K C 0.002 176.611 176.600 0.015 0.000 0.965 1287 K CA -0.325 55.970 56.287 0.013 0.000 0.868 1287 K CB 1.874 34.382 32.500 0.015 0.000 1.083 1287 K HN 0.575 nan 8.250 nan 0.000 0.443 1288 A N 2.572 125.401 122.820 0.015 0.000 2.425 1288 A HA 0.039 4.358 4.320 -0.002 0.000 0.242 1288 A C 0.900 178.495 177.584 0.020 0.000 1.077 1288 A CA -0.294 51.752 52.037 0.016 0.000 0.781 1288 A CB 0.187 19.195 19.000 0.014 0.000 1.020 1288 A HN 0.739 nan 8.150 nan 0.000 0.494 1289 L N 1.349 122.583 121.223 0.019 0.000 2.162 1289 L HA -0.033 4.306 4.340 -0.002 0.000 0.205 1289 L C 2.188 179.073 176.870 0.026 0.000 1.086 1289 L CA 2.477 57.330 54.840 0.022 0.000 0.778 1289 L CB -1.215 40.855 42.059 0.018 0.000 0.928 1289 L HN 0.846 nan 8.230 nan 0.000 0.446 1290 T N -0.660 113.907 114.554 0.020 0.000 3.043 1290 T HA -0.084 4.265 4.350 -0.002 0.000 0.263 1290 T C 0.804 175.518 174.700 0.024 0.000 1.094 1290 T CA -0.149 61.962 62.100 0.019 0.000 1.127 1290 T CB -0.081 68.795 68.868 0.012 0.000 0.905 1290 T HN 0.292 nan 8.240 nan 0.000 0.490 1291 E N 2.942 123.157 120.200 0.025 0.000 2.585 1291 E HA 0.107 4.456 4.350 -0.002 0.000 0.252 1291 E C 0.303 176.926 176.600 0.039 0.000 0.981 1291 E CA -0.453 55.963 56.400 0.027 0.000 0.943 1291 E CB 0.479 30.194 29.700 0.025 0.000 0.923 1291 E HN 0.256 nan 8.360 nan 0.000 0.486 1292 V N 3.191 123.127 119.914 0.038 0.000 3.185 1292 V HA 0.484 4.603 4.120 -0.002 0.000 0.305 1292 V C 0.188 176.318 176.094 0.061 0.000 1.090 1292 V CA -0.265 62.066 62.300 0.053 0.000 1.107 1292 V CB 0.721 32.567 31.823 0.038 0.000 1.061 1292 V HN 0.606 nan 8.190 nan 0.000 0.480 1293 I N 2.458 123.081 120.570 0.089 0.000 2.775 1293 I HA 0.450 4.619 4.170 -0.002 0.000 0.295 1293 I C -2.602 173.579 176.117 0.107 0.000 1.287 1293 I CA -1.732 59.617 61.300 0.082 0.000 1.029 1293 I CB 2.827 40.870 38.000 0.071 0.000 1.282 1293 I HN 0.621 nan 8.210 nan 0.000 0.426 1294 P HA 0.261 nan 4.420 nan 0.000 0.275 1294 P C -1.081 176.271 177.300 0.085 0.000 1.228 1294 P CA -0.500 62.649 63.100 0.083 0.000 0.786 1294 P CB 0.692 32.422 31.700 0.051 0.000 0.927 1295 L N 0.256 121.547 121.223 0.114 0.000 2.367 1295 L HA 0.461 4.800 4.340 -0.002 0.000 0.275 1295 L C 0.436 177.321 176.870 0.026 0.000 1.129 1295 L CA 0.154 55.040 54.840 0.077 0.000 0.839 1295 L CB -0.652 41.502 42.059 0.159 0.000 1.133 1295 L HN 0.169 nan 8.230 nan 0.000 0.453 1296 T N 1.287 115.830 114.554 -0.018 0.000 2.882 1296 T HA 0.118 4.467 4.350 -0.002 0.000 0.287 1296 T C 1.090 175.776 174.700 -0.022 0.000 0.992 1296 T CA -0.175 61.914 62.100 -0.019 0.000 1.076 1296 T CB 1.399 70.247 68.868 -0.032 0.000 0.961 1296 T HN 0.904 nan 8.240 nan 0.000 0.490 1297 E N 1.818 122.011 120.200 -0.011 0.000 2.169 1297 E HA -0.261 4.088 4.350 -0.002 0.000 0.202 1297 E C 1.274 177.860 176.600 -0.023 0.000 1.016 1297 E CA 1.533 57.926 56.400 -0.011 0.000 0.817 1297 E CB 0.166 29.861 29.700 -0.007 0.000 0.736 1297 E HN 0.531 nan 8.360 nan 0.000 0.462 1298 E N 0.095 120.277 120.200 -0.030 0.000 2.358 1298 E HA -0.047 4.302 4.350 -0.002 0.000 0.195 1298 E C 1.623 178.188 176.600 -0.058 0.000 1.010 1298 E CA 0.740 57.117 56.400 -0.039 0.000 0.856 1298 E CB -0.145 29.533 29.700 -0.037 0.000 0.795 1298 E HN 0.417 nan 8.360 nan 0.000 0.504 1299 A N 1.930 124.708 122.820 -0.070 0.000 1.819 1299 A HA -0.189 4.130 4.320 -0.002 0.000 0.215 1299 A C 2.056 179.575 177.584 -0.108 0.000 1.226 1299 A CA 1.396 53.363 52.037 -0.116 0.000 0.608 1299 A CB -0.731 18.182 19.000 -0.146 0.000 0.877 1299 A HN 0.099 nan 8.150 nan 0.000 0.452 1300 E N -0.498 119.655 120.200 -0.077 0.000 2.136 1300 E HA -0.269 4.080 4.350 -0.002 0.000 0.208 1300 E C 1.762 178.336 176.600 -0.043 0.000 1.035 1300 E CA 1.524 57.898 56.400 -0.044 0.000 0.838 1300 E CB -0.521 29.178 29.700 -0.003 0.000 0.748 1300 E HN 0.416 nan 8.360 nan 0.000 0.459 1301 L N 0.988 122.187 121.223 -0.040 0.000 2.021 1301 L HA -0.268 4.071 4.340 -0.002 0.000 0.215 1301 L C 1.957 178.800 176.870 -0.045 0.000 1.074 1301 L CA 1.863 56.682 54.840 -0.035 0.000 0.760 1301 L CB -0.454 41.585 42.059 -0.033 0.000 0.889 1301 L HN 0.172 nan 8.230 nan 0.000 0.433 1302 E N -0.357 119.805 120.200 -0.063 0.000 1.969 1302 E HA -0.213 4.136 4.350 -0.002 0.000 0.204 1302 E C 2.154 178.712 176.600 -0.069 0.000 0.982 1302 E CA 1.619 57.976 56.400 -0.071 0.000 0.871 1302 E CB -0.856 28.787 29.700 -0.095 0.000 0.815 1302 E HN 0.527 nan 8.360 nan 0.000 0.527 1303 L N -0.204 120.966 121.223 -0.089 0.000 2.034 1303 L HA -0.254 4.085 4.340 -0.002 0.000 0.217 1303 L C 2.555 179.399 176.870 -0.043 0.000 1.077 1303 L CA 2.119 56.915 54.840 -0.072 0.000 0.769 1303 L CB -1.317 40.691 42.059 -0.085 0.000 0.890 1303 L HN 0.100 nan 8.230 nan 0.000 0.435 1304 A N 0.607 123.407 122.820 -0.032 0.000 1.909 1304 A HA -0.372 3.946 4.320 -0.002 0.000 0.221 1304 A C 2.311 179.881 177.584 -0.024 0.000 1.223 1304 A CA 2.771 54.798 52.037 -0.016 0.000 0.658 1304 A CB -0.941 18.051 19.000 -0.012 0.000 0.831 1304 A HN 0.725 nan 8.150 nan 0.000 0.462 1305 E N -0.974 119.206 120.200 -0.033 0.000 2.112 1305 E HA -0.148 4.201 4.350 -0.002 0.000 0.190 1305 E C 1.866 178.439 176.600 -0.045 0.000 0.979 1305 E CA 0.788 57.168 56.400 -0.034 0.000 0.814 1305 E CB -0.108 29.572 29.700 -0.034 0.000 0.762 1305 E HN 0.594 nan 8.360 nan 0.000 0.460 1306 N N 0.736 119.403 118.700 -0.055 0.000 2.149 1306 N HA -0.190 4.549 4.740 -0.002 0.000 0.188 1306 N C 1.843 177.302 175.510 -0.085 0.000 1.019 1306 N CA 0.959 53.965 53.050 -0.074 0.000 0.857 1306 N CB -0.240 38.201 38.487 -0.078 0.000 0.997 1306 N HN 0.082 nan 8.380 nan 0.000 0.426 1307 R N 1.454 121.919 120.500 -0.059 0.000 2.073 1307 R HA -0.068 4.271 4.340 -0.002 0.000 0.234 1307 R C 2.056 178.327 176.300 -0.050 0.000 1.134 1307 R CA 1.373 57.444 56.100 -0.049 0.000 0.952 1307 R CB -0.332 29.957 30.300 -0.019 0.000 0.850 1307 R HN 0.304 nan 8.270 nan 0.000 0.433 1308 E N -0.256 119.922 120.200 -0.037 0.000 2.048 1308 E HA -0.232 4.117 4.350 -0.002 0.000 0.202 1308 E C 0.370 176.949 176.600 -0.036 0.000 1.021 1308 E CA 1.469 57.853 56.400 -0.028 0.000 0.825 1308 E CB -0.252 29.435 29.700 -0.022 0.000 0.756 1308 E HN 0.215 nan 8.360 nan 0.000 0.454 1309 I N -0.636 119.903 120.570 -0.051 0.000 3.138 1309 I HA -0.042 4.127 4.170 -0.002 0.000 0.288 1309 I C 0.970 176.987 176.117 -0.167 0.000 1.148 1309 I CA 0.522 61.783 61.300 -0.066 0.000 1.315 1309 I CB 0.736 38.708 38.000 -0.047 0.000 1.426 1309 I HN 0.538 nan 8.210 nan 0.000 0.615 1310 L N 1.353 122.399 121.223 -0.294 0.000 2.129 1310 L HA -0.322 4.017 4.340 -0.002 0.000 0.483 1310 L C 1.704 178.470 176.870 -0.173 0.000 0.714 1310 L CA 1.497 56.020 54.840 -0.528 0.000 3.307 1310 L CB -1.488 40.332 42.059 -0.398 0.000 0.592 1310 L HN 0.764 nan 8.230 nan 0.000 0.792 1311 K N 0.651 121.006 120.400 -0.074 0.000 2.296 1311 K HA 0.077 4.396 4.320 -0.002 0.000 0.200 1311 K C 0.464 177.089 176.600 0.042 0.000 1.048 1311 K CA 0.589 56.877 56.287 0.001 0.000 0.966 1311 K CB 0.030 32.530 32.500 0.000 0.000 0.754 1311 K HN 0.269 nan 8.250 nan 0.000 0.466 1312 E N 2.695 122.923 120.200 0.046 0.000 2.373 1312 E HA 0.203 4.552 4.350 -0.002 0.000 0.263 1312 E C -2.233 174.460 176.600 0.154 0.000 1.073 1312 E CA -2.588 53.861 56.400 0.082 0.000 0.894 1312 E CB 0.254 29.995 29.700 0.067 0.000 1.008 1312 E HN 0.123 nan 8.360 nan 0.000 0.420 1313 P HA 0.041 nan 4.420 nan 0.000 0.271 1313 P C 0.201 177.581 177.300 0.134 0.000 1.218 1313 P CA -0.313 62.865 63.100 0.130 0.000 0.780 1313 P CB 0.595 32.341 31.700 0.077 0.000 0.901 1314 V N 3.249 123.190 119.914 0.046 0.000 2.814 1314 V HA -0.125 3.994 4.120 -0.002 0.000 0.307 1314 V C 1.039 177.122 176.094 -0.019 0.000 1.089 1314 V CA 0.575 62.827 62.300 -0.081 0.000 1.212 1314 V CB -0.658 31.004 31.823 -0.269 0.000 0.912 1314 V HN 0.593 nan 8.190 nan 0.000 0.497 1315 H N 4.039 123.061 119.070 -0.080 0.000 2.562 1315 H HA 0.449 5.004 4.556 -0.002 0.000 0.314 1315 H C 1.009 176.279 175.328 -0.097 0.000 1.079 1315 H CA 0.506 56.517 56.048 -0.063 0.000 1.349 1315 H CB 1.132 30.894 29.762 0.001 0.000 1.432 1315 H HN 0.912 nan 8.280 nan 0.000 0.479 1316 G N 3.931 112.415 108.800 -0.527 0.000 2.234 1316 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.235 1316 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.235 1316 G C -0.073 174.651 174.900 -0.293 0.000 0.997 1316 G CA 0.131 45.036 45.100 -0.326 0.000 0.623 1316 G HN 0.581 nan 8.290 nan 0.000 0.514 1317 V N 1.197 120.806 119.914 -0.508 0.000 2.498 1317 V HA 0.700 4.819 4.120 -0.002 0.000 0.279 1317 V C -0.090 175.569 176.094 -0.725 0.000 1.048 1317 V CA -0.137 61.920 62.300 -0.405 0.000 0.967 1317 V CB 0.817 32.486 31.823 -0.257 0.000 0.988 1317 V HN 0.298 nan 8.190 nan 0.000 0.473 1318 Y N 2.526 122.826 120.300 -0.000 0.000 2.571 1318 Y HA 0.398 4.947 4.550 -0.002 0.000 0.341 1318 Y C -0.521 175.417 175.900 0.064 0.000 1.076 1318 Y CA -1.094 57.033 58.100 0.044 0.000 1.029 1318 Y CB 1.508 39.975 38.460 0.012 0.000 1.308 1318 Y HN 0.591 nan 8.280 nan 0.000 0.461 1319 Y N 2.751 123.143 120.300 0.154 0.000 2.465 1319 Y HA 0.215 4.764 4.550 -0.002 0.000 0.331 1319 Y C -0.283 175.625 175.900 0.013 0.000 1.102 1319 Y CA -0.530 57.582 58.100 0.021 0.000 1.358 1319 Y CB 0.477 38.987 38.460 0.084 0.000 1.213 1319 Y HN 0.548 nan 8.280 nan 0.000 0.525 1320 D N 8.837 128.856 120.400 -0.635 0.000 2.454 1320 D HA 0.299 4.937 4.640 -0.002 0.000 0.225 1320 D C -2.221 173.544 176.300 -0.892 0.000 1.081 1320 D CA -2.660 50.995 54.000 -0.575 0.000 0.864 1320 D CB 1.679 42.307 40.800 -0.286 0.000 1.040 1320 D HN 0.336 nan 8.370 nan 0.000 0.517 1321 P HA -0.100 nan 4.420 nan 0.000 0.229 1321 P C 0.832 177.964 177.300 -0.280 0.000 1.150 1321 P CA 0.882 63.629 63.100 -0.588 0.000 0.765 1321 P CB 0.214 31.789 31.700 -0.207 0.000 0.783 1322 S N -2.854 112.689 115.700 -0.261 0.000 2.539 1322 S HA 0.157 4.626 4.470 -0.002 0.000 0.221 1322 S C 0.679 175.196 174.600 -0.138 0.000 0.987 1322 S CA -0.281 57.827 58.200 -0.153 0.000 0.929 1322 S CB -0.243 62.882 63.200 -0.125 0.000 0.832 1322 S HN -0.025 nan 8.310 nan 0.000 0.492 1323 K N 2.815 123.103 120.400 -0.186 0.000 2.507 1323 K HA 0.282 4.601 4.320 -0.002 0.000 0.253 1323 K C -1.189 175.334 176.600 -0.128 0.000 0.969 1323 K CA -0.607 55.599 56.287 -0.136 0.000 0.908 1323 K CB 0.729 33.150 32.500 -0.131 0.000 1.127 1323 K HN 0.278 nan 8.250 nan 0.000 0.437 1324 D N 2.971 123.322 120.400 -0.081 0.000 2.362 1324 D HA 0.002 4.641 4.640 -0.002 0.000 0.238 1324 D C -0.141 176.079 176.300 -0.134 0.000 1.212 1324 D CA -0.015 53.943 54.000 -0.070 0.000 0.902 1324 D CB 0.529 41.308 40.800 -0.035 0.000 1.180 1324 D HN 0.312 nan 8.370 nan 0.000 0.445 1325 L N 0.007 121.114 121.223 -0.193 0.000 2.312 1325 L HA 0.396 4.735 4.340 -0.002 0.000 0.281 1325 L C 0.083 176.734 176.870 -0.364 0.000 1.070 1325 L CA -1.028 53.610 54.840 -0.337 0.000 0.805 1325 L CB 0.938 42.704 42.059 -0.489 0.000 1.174 1325 L HN 0.445 nan 8.230 nan 0.000 0.434 1326 I N 2.642 122.920 120.570 -0.487 0.000 2.474 1326 I HA 0.773 4.942 4.170 -0.002 0.000 0.294 1326 I C -0.580 175.043 176.117 -0.823 0.000 1.005 1326 I CA -0.160 60.797 61.300 -0.572 0.000 1.113 1326 I CB 1.615 39.338 38.000 -0.463 0.000 1.289 1326 I HN 0.599 nan 8.210 nan 0.000 0.436 1327 A N 6.308 128.717 122.820 -0.685 0.000 2.355 1327 A HA 0.788 5.107 4.320 -0.002 0.000 0.317 1327 A C -0.878 176.514 177.584 -0.320 0.000 1.094 1327 A CA -0.585 51.089 52.037 -0.605 0.000 0.764 1327 A CB 0.910 19.387 19.000 -0.871 0.000 1.230 1327 A HN 0.759 nan 8.150 nan 0.000 0.448 1328 E N 0.874 121.013 120.200 -0.101 0.000 2.221 1328 E HA 0.685 5.034 4.350 -0.002 0.000 0.268 1328 E C -1.343 175.349 176.600 0.153 0.000 0.933 1328 E CA -0.563 55.879 56.400 0.070 0.000 0.809 1328 E CB 2.370 32.167 29.700 0.161 0.000 1.190 1328 E HN 0.575 nan 8.360 nan 0.000 0.406 1329 I N 2.266 122.950 120.570 0.190 0.000 2.569 1329 I HA 0.135 4.304 4.170 -0.002 0.000 0.290 1329 I C -0.633 175.635 176.117 0.252 0.000 1.088 1329 I CA -0.851 60.608 61.300 0.264 0.000 1.047 1329 I CB 1.779 39.950 38.000 0.284 0.000 1.237 1329 I HN 0.329 nan 8.210 nan 0.000 0.421 1330 Q N 5.457 125.402 119.800 0.242 0.000 2.306 1330 Q HA 0.425 4.764 4.340 -0.002 0.000 0.265 1330 Q C -0.979 175.084 176.000 0.104 0.000 1.022 1330 Q CA -1.029 54.871 55.803 0.162 0.000 0.853 1330 Q CB 2.599 31.396 28.738 0.099 0.000 1.327 1330 Q HN 0.514 nan 8.270 nan 0.000 0.449 1331 K N 2.022 122.360 120.400 -0.103 0.000 2.273 1331 K HA 0.077 4.396 4.320 -0.002 0.000 0.287 1331 K C 0.164 176.477 176.600 -0.478 0.000 1.089 1331 K CA -0.149 55.759 56.287 -0.632 0.000 0.909 1331 K CB 0.588 32.719 32.500 -0.615 0.000 1.123 1331 K HN 0.447 nan 8.250 nan 0.000 0.473 1332 Q N 2.499 121.999 119.800 -0.500 0.000 2.365 1332 Q HA 0.087 4.426 4.340 -0.002 0.000 0.203 1332 Q C 0.438 176.248 176.000 -0.316 0.000 0.929 1332 Q CA 0.413 56.037 55.803 -0.298 0.000 0.948 1332 Q CB 0.434 29.068 28.738 -0.174 0.000 1.043 1332 Q HN 0.987 nan 8.270 nan 0.000 0.505 1333 G N 1.745 110.272 108.800 -0.454 0.000 2.967 1333 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.684 1333 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.684 1333 G C -0.320 174.446 174.900 -0.223 0.000 1.596 1333 G CA 0.078 44.989 45.100 -0.314 0.000 1.102 1333 G HN 0.301 nan 8.290 nan 0.000 0.596 1334 Q N -1.545 118.167 119.800 -0.146 0.000 2.470 1334 Q HA -0.004 4.334 4.340 -0.002 0.000 0.281 1334 Q C 1.887 177.854 176.000 -0.055 0.000 1.260 1334 Q CA 2.802 58.555 55.803 -0.083 0.000 0.815 1334 Q CB -1.665 27.028 28.738 -0.074 0.000 1.204 1334 Q HN 2.852 nan 8.270 nan 0.000 0.444 1335 G N -1.197 107.597 108.800 -0.010 0.000 2.180 1335 G HA2 -0.346 3.613 3.960 -0.002 0.000 0.263 1335 G HA3 -0.346 3.613 3.960 -0.002 0.000 0.263 1335 G C -0.041 174.948 174.900 0.148 0.000 0.989 1335 G CA 0.690 45.869 45.100 0.131 0.000 0.692 1335 G HN 0.325 nan 8.290 nan 0.000 0.526 1336 Q N -1.173 118.585 119.800 -0.070 0.000 2.230 1336 Q HA 0.645 4.984 4.340 -0.002 0.000 0.253 1336 Q C -0.704 175.149 176.000 -0.244 0.000 0.919 1336 Q CA -0.187 55.593 55.803 -0.039 0.000 0.908 1336 Q CB 1.363 30.050 28.738 -0.084 0.000 1.245 1336 Q HN 0.437 nan 8.270 nan 0.000 0.437 1337 W N 0.614 121.972 121.300 0.097 0.000 3.132 1337 W HA 0.280 4.938 4.660 -0.002 0.000 0.337 1337 W C -0.389 176.238 176.519 0.180 0.000 1.082 1337 W CA -0.575 56.861 57.345 0.152 0.000 1.242 1337 W CB 1.238 30.833 29.460 0.225 0.000 1.354 1337 W HN 0.419 nan 8.180 nan 0.000 0.461 1338 T N 0.158 114.888 114.554 0.293 0.000 2.928 1338 T HA 0.814 5.163 4.350 -0.002 0.000 0.284 1338 T C -0.992 173.841 174.700 0.222 0.000 1.008 1338 T CA -0.588 61.618 62.100 0.177 0.000 1.057 1338 T CB 1.657 70.566 68.868 0.068 0.000 1.018 1338 T HN 0.443 nan 8.240 nan 0.000 0.493 1339 Y N -0.773 119.530 120.300 0.005 0.000 2.581 1339 Y HA 0.759 5.308 4.550 -0.002 0.000 0.337 1339 Y C -1.424 174.400 175.900 -0.127 0.000 1.108 1339 Y CA -1.431 56.651 58.100 -0.030 0.000 1.033 1339 Y CB 1.364 39.853 38.460 0.049 0.000 1.318 1339 Y HN 0.566 nan 8.280 nan 0.000 0.459 1340 Q N 2.682 122.474 119.800 -0.013 0.000 2.433 1340 Q HA 0.759 5.098 4.340 -0.002 0.000 0.279 1340 Q C -1.473 174.566 176.000 0.064 0.000 1.105 1340 Q CA -0.704 55.067 55.803 -0.054 0.000 0.815 1340 Q CB 3.322 31.996 28.738 -0.107 0.000 1.403 1340 Q HN 0.779 nan 8.270 nan 0.000 0.435 1341 I N 2.195 122.797 120.570 0.054 0.000 2.533 1341 I HA 0.608 4.777 4.170 -0.002 0.000 0.290 1341 I C -1.367 174.702 176.117 -0.080 0.000 1.056 1341 I CA -0.998 60.231 61.300 -0.118 0.000 1.057 1341 I CB 1.223 39.217 38.000 -0.011 0.000 1.240 1341 I HN 0.664 nan 8.210 nan 0.000 0.423 1342 Y N 2.728 122.923 120.300 -0.175 0.000 2.713 1342 Y HA 0.451 5.000 4.550 -0.002 0.000 0.335 1342 Y C -0.411 175.389 175.900 -0.167 0.000 1.222 1342 Y CA -0.946 57.060 58.100 -0.156 0.000 1.061 1342 Y CB 0.980 39.386 38.460 -0.091 0.000 1.314 1342 Y HN 0.448 nan 8.280 nan 0.000 0.453 1343 Q N -0.332 119.535 119.800 0.111 0.000 2.431 1343 Q HA 0.205 4.544 4.340 -0.002 0.000 0.244 1343 Q C -0.633 175.456 176.000 0.147 0.000 0.880 1343 Q CA 0.340 56.163 55.803 0.033 0.000 0.954 1343 Q CB 0.987 29.687 28.738 -0.062 0.000 1.105 1343 Q HN 0.609 nan 8.270 nan 0.000 0.558 1344 E N 1.171 121.473 120.200 0.171 0.000 2.191 1344 E HA 0.273 4.622 4.350 -0.002 0.000 0.263 1344 E C -2.673 173.938 176.600 0.018 0.000 0.881 1344 E CA -2.747 53.713 56.400 0.101 0.000 0.757 1344 E CB 1.394 31.105 29.700 0.019 0.000 1.147 1344 E HN -0.207 nan 8.360 nan 0.000 0.414 1345 P HA -0.067 nan 4.420 nan 0.000 0.253 1345 P C -0.561 176.732 177.300 -0.011 0.000 1.159 1345 P CA 0.885 63.836 63.100 -0.247 0.000 0.779 1345 P CB -0.049 31.666 31.700 0.025 0.000 0.745 1346 F N 0.863 120.425 119.950 -0.647 0.000 2.139 1346 F HA -0.195 4.331 4.527 -0.002 0.000 0.476 1346 F C 0.734 176.368 175.800 -0.276 0.000 0.528 1346 F CA 0.690 58.465 58.000 -0.374 0.000 1.820 1346 F CB -1.369 37.431 39.000 -0.332 0.000 2.549 1346 F HN 0.286 nan 8.300 nan 0.000 0.250 1347 K N 2.317 122.660 120.400 -0.096 0.000 2.265 1347 K HA 0.314 4.633 4.320 -0.002 0.000 0.242 1347 K C -0.226 176.348 176.600 -0.044 0.000 1.137 1347 K CA -0.246 55.987 56.287 -0.090 0.000 1.082 1347 K CB -0.083 32.379 32.500 -0.064 0.000 1.731 1347 K HN 0.289 nan 8.250 nan 0.000 0.392 1348 N N 1.426 120.093 118.700 -0.055 0.000 2.479 1348 N HA 0.082 4.821 4.740 -0.002 0.000 0.285 1348 N C 0.665 176.191 175.510 0.027 0.000 1.075 1348 N CA -0.695 52.387 53.050 0.054 0.000 0.967 1348 N CB 0.806 39.348 38.487 0.092 0.000 1.137 1348 N HN 0.001 nan 8.380 nan 0.000 0.472 1349 L N -0.400 120.864 121.223 0.069 0.000 2.313 1349 L HA 0.191 4.530 4.340 -0.002 0.000 0.214 1349 L C 0.782 177.774 176.870 0.204 0.000 1.119 1349 L CA 1.378 56.303 54.840 0.142 0.000 0.809 1349 L CB -1.655 40.531 42.059 0.210 0.000 0.933 1349 L HN 0.844 nan 8.230 nan 0.000 0.449 1350 K N -0.468 120.035 120.400 0.172 0.000 2.610 1350 K HA 0.368 4.687 4.320 -0.002 0.000 0.278 1350 K C -1.356 175.265 176.600 0.035 0.000 0.964 1350 K CA -0.274 56.099 56.287 0.145 0.000 0.859 1350 K CB 2.048 34.697 32.500 0.248 0.000 1.434 1350 K HN -0.037 nan 8.250 nan 0.000 0.410 1351 T N -0.082 114.421 114.554 -0.085 0.000 3.172 1351 T HA 0.693 5.042 4.350 -0.002 0.000 0.320 1351 T C -0.393 174.032 174.700 -0.458 0.000 1.085 1351 T CA -0.187 61.718 62.100 -0.325 0.000 1.052 1351 T CB 1.471 70.222 68.868 -0.194 0.000 1.107 1351 T HN 0.725 nan 8.240 nan 0.000 0.458 1352 G N 2.077 110.241 108.800 -1.061 0.000 3.166 1352 G HA2 0.869 4.828 3.960 -0.002 0.000 0.267 1352 G HA3 0.869 4.828 3.960 -0.002 0.000 0.267 1352 G C -1.438 173.193 174.900 -0.449 0.000 1.256 1352 G CA -1.068 43.647 45.100 -0.642 0.000 0.859 1352 G HN 1.022 nan 8.290 nan 0.000 0.590 1353 K N -1.941 118.492 120.400 0.056 0.000 2.509 1353 K HA 0.693 5.012 4.320 -0.002 0.000 0.266 1353 K C -2.304 174.551 176.600 0.425 0.000 0.987 1353 K CA -0.993 55.435 56.287 0.236 0.000 0.868 1353 K CB 2.687 35.265 32.500 0.131 0.000 1.421 1353 K HN 0.634 nan 8.250 nan 0.000 0.444 1354 Y N 0.116 120.575 120.300 0.266 0.000 2.482 1354 Y HA 0.635 5.184 4.550 -0.002 0.000 0.334 1354 Y C -1.930 174.111 175.900 0.235 0.000 1.091 1354 Y CA -0.067 58.155 58.100 0.204 0.000 1.027 1354 Y CB 2.076 40.617 38.460 0.135 0.000 1.306 1354 Y HN 1.107 nan 8.280 nan 0.000 0.446 1362 T N 2.794 117.149 114.554 -0.332 0.000 2.848 1362 T HA 0.508 4.857 4.350 -0.002 0.000 0.285 1362 T C -0.337 174.189 174.700 -0.291 0.000 0.995 1362 T CA -0.984 60.887 62.100 -0.381 0.000 0.970 1362 T CB 1.832 70.598 68.868 -0.170 0.000 0.976 1362 T HN 0.682 nan 8.240 nan 0.000 0.441 1363 N N 0.817 119.304 118.700 -0.355 0.000 2.380 1363 N HA 0.417 5.156 4.740 -0.002 0.000 0.290 1363 N C 0.119 175.568 175.510 -0.102 0.000 1.236 1363 N CA -0.957 51.978 53.050 -0.192 0.000 0.780 1363 N CB 0.894 39.251 38.487 -0.217 0.000 1.438 1363 N HN 0.296 nan 8.380 nan 0.000 0.491 1364 D N -0.010 120.416 120.400 0.044 0.000 2.157 1364 D HA -0.158 4.481 4.640 -0.002 0.000 0.191 1364 D C 1.579 177.935 176.300 0.093 0.000 1.004 1364 D CA 1.405 55.547 54.000 0.236 0.000 0.854 1364 D CB -0.193 40.763 40.800 0.261 0.000 0.936 1364 D HN 0.375 nan 8.370 nan 0.000 0.446 1365 V N 0.852 120.762 119.914 -0.006 0.000 2.453 1365 V HA -0.146 3.973 4.120 -0.002 0.000 0.247 1365 V C 2.421 178.402 176.094 -0.188 0.000 1.048 1365 V CA 1.070 63.381 62.300 0.018 0.000 1.049 1365 V CB -0.309 31.562 31.823 0.080 0.000 0.672 1365 V HN 0.120 nan 8.190 nan 0.000 0.457 1366 K N 0.370 120.443 120.400 -0.546 0.000 2.026 1366 K HA -0.205 4.114 4.320 -0.002 0.000 0.208 1366 K C 2.209 178.575 176.600 -0.391 0.000 1.048 1366 K CA 1.829 57.599 56.287 -0.861 0.000 0.929 1366 K CB -0.255 31.613 32.500 -1.055 0.000 0.713 1366 K HN 0.562 nan 8.250 nan 0.000 0.439 1367 Q N 0.179 119.808 119.800 -0.285 0.000 2.079 1367 Q HA -0.143 4.196 4.340 -0.002 0.000 0.200 1367 Q C 2.095 177.805 176.000 -0.484 0.000 0.974 1367 Q CA 1.123 56.790 55.803 -0.227 0.000 0.840 1367 Q CB -0.149 28.534 28.738 -0.092 0.000 0.898 1367 Q HN 0.136 nan 8.270 nan 0.000 0.430 1368 L N 0.713 121.558 121.223 -0.631 0.000 2.131 1368 L HA -0.146 4.193 4.340 -0.002 0.000 0.210 1368 L C 1.980 178.720 176.870 -0.216 0.000 1.092 1368 L CA 1.901 56.353 54.840 -0.646 0.000 0.759 1368 L CB -0.634 41.181 42.059 -0.406 0.000 0.903 1368 L HN 0.188 nan 8.230 nan 0.000 0.435 1369 T N -1.366 113.188 114.554 0.001 0.000 2.867 1369 T HA -0.132 4.217 4.350 -0.002 0.000 0.268 1369 T C 1.582 176.222 174.700 -0.099 0.000 1.057 1369 T CA 1.535 63.742 62.100 0.180 0.000 1.136 1369 T CB -0.297 68.696 68.868 0.207 0.000 0.874 1369 T HN 0.517 nan 8.240 nan 0.000 0.466 1370 E N 1.748 121.798 120.200 -0.251 0.000 2.076 1370 E HA 0.109 4.458 4.350 -0.002 0.000 0.190 1370 E C 2.681 178.873 176.600 -0.680 0.000 0.979 1370 E CA 0.759 56.926 56.400 -0.388 0.000 0.807 1370 E CB -0.311 29.234 29.700 -0.259 0.000 0.761 1370 E HN 0.509 nan 8.360 nan 0.000 0.454 1371 A N 1.474 123.786 122.820 -0.846 0.000 1.940 1371 A HA -0.165 4.154 4.320 -0.002 0.000 0.219 1371 A C 2.536 179.807 177.584 -0.523 0.000 1.176 1371 A CA 1.343 52.858 52.037 -0.870 0.000 0.631 1371 A CB -0.741 17.894 19.000 -0.610 0.000 0.814 1371 A HN 0.116 nan 8.150 nan 0.000 0.446 1372 V N -0.422 119.237 119.914 -0.425 0.000 2.270 1372 V HA -0.308 3.811 4.120 -0.002 0.000 0.245 1372 V C 2.624 178.577 176.094 -0.234 0.000 1.043 1372 V CA 2.230 64.236 62.300 -0.489 0.000 1.014 1372 V CB -1.009 30.521 31.823 -0.489 0.000 0.645 1372 V HN 0.637 nan 8.190 nan 0.000 0.447 1373 Q N -0.221 119.452 119.800 -0.212 0.000 2.096 1373 Q HA -0.236 4.103 4.340 -0.002 0.000 0.204 1373 Q C 2.479 178.483 176.000 0.007 0.000 0.982 1373 Q CA 1.641 57.413 55.803 -0.052 0.000 0.850 1373 Q CB -0.281 28.244 28.738 -0.353 0.000 0.901 1373 Q HN 0.417 nan 8.270 nan 0.000 0.422 1374 K N 1.130 121.415 120.400 -0.191 0.000 2.009 1374 K HA -0.169 4.150 4.320 -0.002 0.000 0.210 1374 K C 1.918 178.381 176.600 -0.228 0.000 1.049 1374 K CA 1.419 57.583 56.287 -0.205 0.000 0.929 1374 K CB -0.321 31.957 32.500 -0.369 0.000 0.714 1374 K HN 0.238 nan 8.250 nan 0.000 0.440 1375 I N 0.864 121.262 120.570 -0.287 0.000 2.286 1375 I HA -0.264 3.905 4.170 -0.002 0.000 0.248 1375 I C 2.168 178.235 176.117 -0.084 0.000 1.115 1375 I CA 1.506 62.624 61.300 -0.303 0.000 1.392 1375 I CB -0.469 37.353 38.000 -0.296 0.000 1.065 1375 I HN 0.191 nan 8.210 nan 0.000 0.418 1376 T N -0.255 114.342 114.554 0.072 0.000 2.777 1376 T HA -0.148 4.201 4.350 -0.002 0.000 0.266 1376 T C 1.934 176.548 174.700 -0.144 0.000 1.040 1376 T CA 1.923 64.014 62.100 -0.013 0.000 1.141 1376 T CB -0.436 68.374 68.868 -0.097 0.000 0.868 1376 T HN 0.338 nan 8.240 nan 0.000 0.444 1377 T N 2.338 116.894 114.554 0.004 0.000 2.652 1377 T HA -0.128 4.221 4.350 -0.002 0.000 0.267 1377 T C 1.978 176.646 174.700 -0.053 0.000 1.039 1377 T CA 1.395 63.543 62.100 0.079 0.000 1.153 1377 T CB -0.337 68.644 68.868 0.189 0.000 0.863 1377 T HN 0.554 nan 8.240 nan 0.000 0.428 1378 E N 0.891 120.981 120.200 -0.184 0.000 2.038 1378 E HA -0.150 4.199 4.350 -0.002 0.000 0.195 1378 E C 2.503 178.949 176.600 -0.258 0.000 1.000 1378 E CA 1.319 57.511 56.400 -0.347 0.000 0.803 1378 E CB -0.340 28.869 29.700 -0.818 0.000 0.750 1378 E HN 0.353 nan 8.360 nan 0.000 0.448 1379 S N 0.875 116.451 115.700 -0.206 0.000 2.368 1379 S HA -0.226 4.243 4.470 -0.002 0.000 0.226 1379 S C 2.053 176.545 174.600 -0.180 0.000 1.044 1379 S CA 1.353 59.511 58.200 -0.070 0.000 1.062 1379 S CB -0.359 62.887 63.200 0.076 0.000 0.931 1379 S HN 0.214 nan 8.310 nan 0.000 0.440 1380 I N 0.881 121.287 120.570 -0.274 0.000 2.208 1380 I HA -0.158 4.011 4.170 -0.002 0.000 0.245 1380 I C 2.338 178.274 176.117 -0.303 0.000 1.097 1380 I CA 1.229 62.278 61.300 -0.418 0.000 1.363 1380 I CB -0.511 37.121 38.000 -0.613 0.000 1.051 1380 I HN 0.237 nan 8.210 nan 0.000 0.413 1381 V N 1.127 120.892 119.914 -0.250 0.000 2.343 1381 V HA -0.279 3.840 4.120 -0.002 0.000 0.247 1381 V C 2.220 178.249 176.094 -0.108 0.000 1.051 1381 V CA 1.859 64.069 62.300 -0.151 0.000 1.036 1381 V CB -0.297 31.546 31.823 0.032 0.000 0.654 1381 V HN 0.326 nan 8.190 nan 0.000 0.451 1382 I N -1.714 118.647 120.570 -0.347 0.000 2.206 1382 I HA -0.145 4.024 4.170 -0.002 0.000 0.239 1382 I C 2.141 177.739 176.117 -0.866 0.000 1.078 1382 I CA 1.554 62.440 61.300 -0.689 0.000 1.367 1382 I CB -0.256 36.937 38.000 -1.345 0.000 1.078 1382 I HN 0.387 nan 8.210 nan 0.000 0.413 1383 W N 0.227 121.161 121.300 -0.610 0.000 3.058 1383 W HA 0.354 5.012 4.660 -0.002 0.000 0.306 1383 W C 1.347 177.208 176.519 -1.095 0.000 1.188 1383 W CA 0.676 57.448 57.345 -0.955 0.000 1.651 1383 W CB -0.326 28.567 29.460 -0.945 0.000 1.051 1383 W HN 0.345 nan 8.180 nan 0.000 0.592 1384 G N 2.546 110.933 108.800 -0.690 0.000 2.160 1384 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.244 1384 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.244 1384 G C 0.072 174.946 174.900 -0.043 0.000 1.022 1384 G CA 0.742 45.721 45.100 -0.202 0.000 0.741 1384 G HN 0.336 nan 8.290 nan 0.000 0.508 1385 K N -1.350 118.961 120.400 -0.147 0.000 2.568 1385 K HA 0.672 4.991 4.320 -0.002 0.000 0.273 1385 K C -0.198 176.324 176.600 -0.129 0.000 0.951 1385 K CA -0.382 55.876 56.287 -0.049 0.000 0.854 1385 K CB 0.916 33.485 32.500 0.115 0.000 1.424 1385 K HN 0.566 nan 8.250 nan 0.000 0.427 1386 T N -0.491 114.002 114.554 -0.101 0.000 2.904 1386 T HA 0.483 4.831 4.350 -0.002 0.000 0.290 1386 T C -2.106 172.530 174.700 -0.106 0.000 1.018 1386 T CA -1.284 60.739 62.100 -0.130 0.000 1.075 1386 T CB 0.850 69.652 68.868 -0.110 0.000 0.986 1386 T HN 0.474 nan 8.240 nan 0.000 0.523 1387 P HA 0.367 nan 4.420 nan 0.000 0.281 1387 P C -0.965 176.174 177.300 -0.268 0.000 1.264 1387 P CA -0.897 62.006 63.100 -0.329 0.000 0.824 1387 P CB 0.808 32.156 31.700 -0.586 0.000 1.092 1388 K N 1.234 121.476 120.400 -0.265 0.000 2.248 1388 K HA 0.354 4.673 4.320 -0.002 0.000 0.281 1388 K C -0.922 175.554 176.600 -0.206 0.000 1.054 1388 K CA -0.476 55.731 56.287 -0.133 0.000 0.903 1388 K CB 0.046 32.487 32.500 -0.098 0.000 1.077 1388 K HN 0.240 nan 8.250 nan 0.000 0.474 1389 F N 3.065 122.972 119.950 -0.073 0.000 2.394 1389 F HA 0.253 4.779 4.527 -0.002 0.000 0.340 1389 F C 0.662 176.372 175.800 -0.151 0.000 1.105 1389 F CA -0.352 57.587 58.000 -0.103 0.000 1.124 1389 F CB 1.273 40.224 39.000 -0.083 0.000 1.145 1389 F HN 0.260 nan 8.300 nan 0.000 0.505 1390 K N 4.746 125.160 120.400 0.023 0.000 2.231 1390 K HA 0.274 4.593 4.320 -0.002 0.000 0.255 1390 K C -1.121 175.459 176.600 -0.033 0.000 1.108 1390 K CA -0.522 55.754 56.287 -0.018 0.000 0.997 1390 K CB 0.311 32.832 32.500 0.035 0.000 1.549 1390 K HN 0.289 nan 8.250 nan 0.000 0.419 1391 L N 4.803 125.902 121.223 -0.207 0.000 2.313 1391 L HA 0.168 4.507 4.340 -0.002 0.000 0.282 1391 L C -1.758 175.090 176.870 -0.037 0.000 1.092 1391 L CA -2.295 52.394 54.840 -0.252 0.000 0.831 1391 L CB 0.261 41.889 42.059 -0.719 0.000 1.159 1391 L HN 0.326 nan 8.230 nan 0.000 0.442 1392 P HA 0.254 nan 4.420 nan 0.000 0.226 1392 P C -0.125 177.268 177.300 0.154 0.000 1.783 1392 P CA 0.333 63.509 63.100 0.126 0.000 0.980 1392 P CB 0.707 32.501 31.700 0.156 0.000 1.967 1393 I N -0.808 119.870 120.570 0.179 0.000 3.352 1393 I HA 0.293 4.462 4.170 -0.002 0.000 0.316 1393 I C -1.121 175.086 176.117 0.151 0.000 1.214 1393 I CA -1.460 59.953 61.300 0.188 0.000 0.934 1393 I CB 3.035 41.169 38.000 0.223 0.000 1.310 1393 I HN -0.147 nan 8.210 nan 0.000 0.475 1394 Q N 3.161 123.005 119.800 0.073 0.000 2.294 1394 Q HA 0.145 4.484 4.340 -0.002 0.000 0.257 1394 Q C 0.756 176.571 176.000 -0.309 0.000 0.955 1394 Q CA -0.152 55.617 55.803 -0.057 0.000 0.936 1394 Q CB 1.560 30.306 28.738 0.013 0.000 1.188 1394 Q HN 0.600 nan 8.270 nan 0.000 0.420 1395 K N 3.762 123.683 120.400 -0.798 0.000 2.049 1395 K HA -0.331 3.988 4.320 -0.002 0.000 0.219 1395 K C 0.974 177.333 176.600 -0.402 0.000 1.056 1395 K CA 2.541 58.026 56.287 -1.336 0.000 0.946 1395 K CB 0.055 32.016 32.500 -0.898 0.000 0.723 1395 K HN 0.673 nan 8.250 nan 0.000 0.453 1396 E N 0.157 120.261 120.200 -0.161 0.000 2.086 1396 E HA -0.189 4.160 4.350 -0.002 0.000 0.200 1396 E C 2.122 178.760 176.600 0.063 0.000 1.012 1396 E CA 2.312 58.713 56.400 0.002 0.000 0.812 1396 E CB -0.773 28.946 29.700 0.032 0.000 0.743 1396 E HN 0.512 nan 8.360 nan 0.000 0.453 1397 T N 0.443 115.058 114.554 0.103 0.000 2.708 1397 T HA -0.185 4.164 4.350 -0.002 0.000 0.266 1397 T C 1.390 176.294 174.700 0.340 0.000 1.037 1397 T CA 1.257 63.509 62.100 0.254 0.000 1.146 1397 T CB -0.504 68.513 68.868 0.248 0.000 0.865 1397 T HN 0.403 nan 8.240 nan 0.000 0.435 1398 W N 2.294 123.629 121.300 0.059 0.000 2.354 1398 W HA -0.194 4.465 4.660 -0.001 0.000 0.315 1398 W C 2.236 178.829 176.519 0.124 0.000 1.206 1398 W CA 1.877 59.267 57.345 0.075 0.000 1.290 1398 W CB -0.311 29.150 29.460 0.002 0.000 1.152 1398 W HN 0.268 nan 8.180 nan 0.000 0.489 1399 E N 0.347 120.603 120.200 0.093 0.000 2.160 1399 E HA -0.183 4.166 4.350 -0.002 0.000 0.195 1399 E C 1.986 178.587 176.600 0.002 0.000 0.991 1399 E CA 2.663 59.078 56.400 0.024 0.000 0.810 1399 E CB -0.579 29.143 29.700 0.036 0.000 0.742 1399 E HN 0.088 nan 8.360 nan 0.000 0.466 1400 T N -1.053 113.470 114.554 -0.052 0.000 2.737 1400 T HA -0.126 4.223 4.350 -0.002 0.000 0.265 1400 T C 1.039 175.442 174.700 -0.494 0.000 1.038 1400 T CA 1.726 63.642 62.100 -0.307 0.000 1.144 1400 T CB -0.346 68.277 68.868 -0.409 0.000 0.866 1400 T HN 0.392 nan 8.240 nan 0.000 0.434 1401 W N 0.279 121.519 121.300 -0.100 0.000 2.842 1401 W HA 0.267 4.926 4.660 -0.002 0.000 0.267 1401 W C 2.126 178.463 176.519 -0.304 0.000 1.219 1401 W CA -1.096 56.168 57.345 -0.135 0.000 1.458 1401 W CB -0.243 29.261 29.460 0.073 0.000 1.006 1401 W HN 0.306 nan 8.180 nan 0.000 0.603 1402 W N 0.746 121.752 121.300 -0.491 0.000 2.305 1402 W HA -0.290 4.369 4.660 -0.001 0.000 0.308 1402 W C 1.631 177.906 176.519 -0.406 0.000 1.226 1402 W CA 2.173 58.999 57.345 -0.864 0.000 1.253 1402 W CB -1.916 26.357 29.460 -1.978 0.000 1.146 1402 W HN -0.096 nan 8.180 nan 0.000 0.507 1403 T N 1.050 114.622 114.554 -1.636 0.000 2.929 1403 T HA -0.243 4.106 4.350 -0.002 0.000 0.271 1403 T C 1.601 175.920 174.700 -0.634 0.000 1.085 1403 T CA 2.019 63.216 62.100 -1.504 0.000 1.125 1403 T CB -0.366 67.606 68.868 -1.494 0.000 0.874 1403 T HN 0.209 nan 8.240 nan 0.000 0.494 1404 E N -0.728 119.147 120.200 -0.541 0.000 2.418 1404 E HA -0.005 4.344 4.350 -0.002 0.000 0.197 1404 E C 0.512 176.652 176.600 -0.766 0.000 1.026 1404 E CA 0.971 57.014 56.400 -0.595 0.000 0.862 1404 E CB -0.090 29.226 29.700 -0.640 0.000 0.799 1404 E HN 0.819 nan 8.360 nan 0.000 0.518 1405 Y N -2.613 117.671 120.300 -0.027 0.000 2.476 1405 Y HA 0.201 4.750 4.550 -0.002 0.000 0.261 1405 Y C 0.369 176.259 175.900 -0.016 0.000 1.077 1405 Y CA -0.951 57.141 58.100 -0.014 0.000 1.240 1405 Y CB -0.243 38.209 38.460 -0.015 0.000 1.317 1405 Y HN 0.017 nan 8.280 nan 0.000 0.540 1406 W N 3.503 124.740 121.300 -0.105 0.000 2.209 1406 W HA 0.058 4.717 4.660 -0.002 0.000 0.344 1406 W C 0.262 176.705 176.519 -0.126 0.000 1.285 1406 W CA 1.240 58.524 57.345 -0.102 0.000 1.267 1406 W CB 0.960 30.301 29.460 -0.197 0.000 1.167 1406 W HN 0.305 nan 8.180 nan 0.000 0.574 1407 Q N 2.936 122.478 119.800 -0.429 0.000 2.427 1407 Q HA 0.174 4.513 4.340 -0.002 0.000 0.249 1407 Q C 0.692 176.485 176.000 -0.346 0.000 0.783 1407 Q CA -0.115 55.520 55.803 -0.280 0.000 0.978 1407 Q CB 0.633 29.206 28.738 -0.275 0.000 1.273 1407 Q HN 0.478 nan 8.270 nan 0.000 0.524 1408 A N 0.877 123.255 122.820 -0.736 0.000 2.521 1408 A HA 0.057 4.376 4.320 -0.002 0.000 0.237 1408 A C 1.127 178.493 177.584 -0.363 0.000 1.087 1408 A CA 0.938 52.494 52.037 -0.802 0.000 0.777 1408 A CB 0.100 18.074 19.000 -1.710 0.000 1.035 1408 A HN 0.397 nan 8.150 nan 0.000 0.510 1409 T N -1.881 112.380 114.554 -0.488 0.000 3.081 1409 T HA 0.161 4.510 4.350 -0.002 0.000 0.250 1409 T C 0.462 175.207 174.700 0.075 0.000 1.100 1409 T CA 0.299 62.329 62.100 -0.117 0.000 1.038 1409 T CB -0.293 68.532 68.868 -0.073 0.000 0.962 1409 T HN 0.713 nan 8.240 nan 0.000 0.516 1410 W N 0.618 122.153 121.300 0.391 0.000 2.671 1410 W HA 0.777 5.436 4.660 -0.001 0.000 0.360 1410 W C -1.265 175.528 176.519 0.458 0.000 1.128 1410 W CA -1.845 55.712 57.345 0.354 0.000 1.184 1410 W CB 0.773 30.429 29.460 0.327 0.000 1.415 1410 W HN -0.131 nan 8.180 nan 0.000 0.604 1411 I N 2.798 123.777 120.570 0.682 0.000 2.499 1411 I HA 0.261 4.430 4.170 -0.002 0.000 0.288 1411 I C -2.168 174.054 176.117 0.176 0.000 1.048 1411 I CA -2.288 59.214 61.300 0.336 0.000 1.062 1411 I CB 2.158 40.079 38.000 -0.132 0.000 1.238 1411 I HN -0.014 nan 8.210 nan 0.000 0.426 1412 P HA 0.225 nan 4.420 nan 0.000 0.279 1412 P C -0.974 176.210 177.300 -0.194 0.000 1.252 1412 P CA -0.525 62.638 63.100 0.105 0.000 0.811 1412 P CB 0.793 32.723 31.700 0.384 0.000 1.035 1413 E N 1.483 121.610 120.200 -0.122 0.000 2.366 1413 E HA 0.105 4.454 4.350 -0.002 0.000 0.266 1413 E C -0.248 176.307 176.600 -0.075 0.000 1.015 1413 E CA 0.361 56.626 56.400 -0.225 0.000 0.906 1413 E CB 0.115 29.758 29.700 -0.095 0.000 0.979 1413 E HN 0.479 nan 8.360 nan 0.000 0.443 1414 W N 1.769 123.004 121.300 -0.108 0.000 3.459 1414 W HA 0.738 5.396 4.660 -0.002 0.000 0.340 1414 W C -0.378 175.918 176.519 -0.372 0.000 1.275 1414 W CA -1.242 55.951 57.345 -0.253 0.000 0.985 1414 W CB 0.715 29.898 29.460 -0.462 0.000 1.745 1414 W HN 0.444 nan 8.180 nan 0.000 0.627 1415 E N -0.176 119.847 120.200 -0.295 0.000 2.584 1415 E HA 0.295 4.644 4.350 -0.002 0.000 0.295 1415 E C -2.268 173.965 176.600 -0.612 0.000 1.109 1415 E CA -0.612 55.570 56.400 -0.363 0.000 0.900 1415 E CB 0.997 30.649 29.700 -0.078 0.000 1.195 1415 E HN 0.329 nan 8.360 nan 0.000 0.433 1416 F N 2.597 122.576 119.950 0.049 0.000 2.450 1416 F HA 0.714 5.240 4.527 -0.002 0.000 0.332 1416 F C 0.460 176.286 175.800 0.042 0.000 1.093 1416 F CA -0.450 57.554 58.000 0.006 0.000 1.003 1416 F CB 1.792 40.794 39.000 0.004 0.000 1.151 1416 F HN 0.355 nan 8.300 nan 0.000 0.474 1417 V N -0.729 119.301 119.914 0.193 0.000 3.096 1417 V HA 0.636 4.755 4.120 -0.002 0.000 0.310 1417 V C -1.683 174.488 176.094 0.128 0.000 1.438 1417 V CA -1.056 61.330 62.300 0.143 0.000 1.042 1417 V CB 2.421 34.313 31.823 0.115 0.000 1.069 1417 V HN 0.670 nan 8.190 nan 0.000 0.470 1418 N N 0.734 119.500 118.700 0.110 0.000 2.491 1418 N HA 0.399 5.138 4.740 -0.002 0.000 0.274 1418 N C -0.780 174.778 175.510 0.080 0.000 1.023 1418 N CA -0.336 52.768 53.050 0.090 0.000 0.902 1418 N CB 1.782 40.316 38.487 0.078 0.000 1.267 1418 N HN 0.878 nan 8.380 nan 0.000 0.503 1419 T N 3.664 118.259 114.554 0.068 0.000 2.736 1419 T HA 0.074 4.422 4.350 -0.002 0.000 0.275 1419 T C -2.103 172.605 174.700 0.014 0.000 0.962 1419 T CA -0.513 61.619 62.100 0.052 0.000 1.214 1419 T CB -0.301 68.586 68.868 0.032 0.000 0.904 1419 T HN 0.243 nan 8.240 nan 0.000 0.529 1420 P HA 0.060 nan 4.420 nan 0.000 0.257 1420 P C -1.875 175.342 177.300 -0.138 0.000 1.189 1420 P CA -1.248 61.840 63.100 -0.020 0.000 0.780 1420 P CB 0.320 32.045 31.700 0.042 0.000 0.772 1421 P HA -0.236 nan 4.420 nan 0.000 0.222 1421 P C 1.626 178.685 177.300 -0.402 0.000 1.159 1421 P CA 1.626 64.596 63.100 -0.216 0.000 0.920 1421 P CB -0.178 31.418 31.700 -0.173 0.000 0.793 1422 L N -1.810 119.059 121.223 -0.590 0.000 2.093 1422 L HA -0.137 4.202 4.340 -0.002 0.000 0.208 1422 L C 2.517 178.458 176.870 -1.550 0.000 1.085 1422 L CA 1.101 55.208 54.840 -1.222 0.000 0.755 1422 L CB -1.162 39.996 42.059 -1.502 0.000 0.904 1422 L HN -0.128 nan 8.230 nan 0.000 0.435 1423 V N 0.433 119.784 119.914 -0.938 0.000 2.214 1423 V HA -0.405 3.714 4.120 -0.002 0.000 0.247 1423 V C 2.589 178.495 176.094 -0.314 0.000 1.051 1423 V CA 2.353 64.342 62.300 -0.518 0.000 1.003 1423 V CB -0.743 31.034 31.823 -0.077 0.000 0.635 1423 V HN 0.509 nan 8.190 nan 0.000 0.447 1424 K N -0.541 119.737 120.400 -0.204 0.000 2.184 1424 K HA -0.295 4.024 4.320 -0.002 0.000 0.210 1424 K C 2.098 178.602 176.600 -0.160 0.000 1.048 1424 K CA 2.274 58.490 56.287 -0.119 0.000 0.931 1424 K CB -0.270 32.144 32.500 -0.144 0.000 0.718 1424 K HN 0.464 nan 8.250 nan 0.000 0.465 1425 L N -0.456 120.545 121.223 -0.371 0.000 2.162 1425 L HA -0.058 4.281 4.340 -0.002 0.000 0.205 1425 L C 1.679 178.420 176.870 -0.216 0.000 1.086 1425 L CA 0.267 54.903 54.840 -0.340 0.000 0.778 1425 L CB -0.140 41.620 42.059 -0.498 0.000 0.928 1425 L HN 0.357 nan 8.230 nan 0.000 0.446 1426 W N -1.040 120.089 121.300 -0.286 0.000 3.077 1426 W HA -0.057 4.602 4.660 -0.002 0.000 0.245 1426 W C 0.882 177.178 176.519 -0.373 0.000 1.316 1426 W CA 0.120 57.243 57.345 -0.370 0.000 1.537 1426 W CB -0.502 28.570 29.460 -0.647 0.000 1.131 1426 W HN 0.248 nan 8.180 nan 0.000 0.695 1427 Y N -0.288 120.076 120.300 0.108 0.000 2.612 1427 Y HA 0.189 4.738 4.550 -0.002 0.000 0.250 1427 Y C 1.623 177.545 175.900 0.037 0.000 1.175 1427 Y CA -0.696 57.454 58.100 0.083 0.000 1.205 1427 Y CB -0.565 37.936 38.460 0.069 0.000 1.201 1427 Y HN -0.236 nan 8.280 nan 0.000 0.532 1428 Q N 0.000 119.880 119.800 0.133 0.000 2.315 1428 Q HA 0.000 4.339 4.340 -0.002 0.000 0.214 1428 Q CA 0.000 55.846 55.803 0.072 0.000 1.022 1428 Q CB 0.000 28.751 28.738 0.021 0.000 1.108 1428 Q HN 0.000 nan 8.270 nan 0.000 0.481