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 2vg7_1_B DATA FIRST_RESID 1005 DATA SEQUENCE IETVPVKLKP GMDGPKVKQW PLTEEKIKAL VEICTEMEKE GKISKIGPEN DATA SEQUENCE PYNTPVFAIK KXXXXKWRKL VDFRELNKRT QDFWEVQLGI PHPAGLKKKK DATA SEQUENCE SVTVLDVGDA YFSVPLDEDF RKYTAFTIPS INNETPGIRY QYNVLPQGWK DATA SEQUENCE GSPAIFQSSM TKILEPFKKQ NPDIVIYQYM DDLYVGSDLE IGQHRTKIEE DATA SEQUENCE LRQHLLRWXX 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 0.000 176.166 176.117 0.082 0.000 1.063 1005 I CA 0.000 61.353 61.300 0.088 0.000 1.566 1005 I CB 0.000 38.045 38.000 0.075 0.000 1.214 1006 E N 4.487 124.733 120.200 0.076 0.000 2.292 1006 E HA 0.136 4.486 4.350 0.000 0.000 0.265 1006 E C -0.222 176.427 176.600 0.081 0.000 1.093 1006 E CA 0.216 56.658 56.400 0.069 0.000 0.922 1006 E CB 0.323 30.057 29.700 0.056 0.000 1.001 1006 E HN 0.340 nan 8.360 nan 0.000 0.444 1007 T N 1.311 115.915 114.554 0.083 0.000 2.845 1007 T HA 0.400 4.750 4.350 0.000 0.000 0.288 1007 T C 0.040 174.796 174.700 0.093 0.000 0.980 1007 T CA -1.007 61.151 62.100 0.096 0.000 1.071 1007 T CB 1.265 70.191 68.868 0.096 0.000 0.941 1007 T HN 0.188 nan 8.240 nan 0.000 0.487 1008 V N 5.618 125.598 119.914 0.110 0.000 2.368 1008 V HA 0.265 4.385 4.120 0.000 0.000 0.266 1008 V C -2.034 174.135 176.094 0.125 0.000 1.045 1008 V CA -1.881 60.493 62.300 0.124 0.000 0.899 1008 V CB 0.345 32.262 31.823 0.157 0.000 1.006 1008 V HN 0.815 nan 8.190 nan 0.000 0.470 1009 P HA -0.015 nan 4.420 nan 0.000 0.255 1009 P C -0.505 176.836 177.300 0.068 0.000 1.173 1009 P CA 0.488 63.642 63.100 0.089 0.000 0.780 1009 P CB 0.111 31.868 31.700 0.095 0.000 0.758 1010 V N 5.121 124.976 119.914 -0.098 0.000 2.370 1010 V HA 0.368 4.488 4.120 0.000 0.000 0.283 1010 V C 0.398 176.330 176.094 -0.271 0.000 1.023 1010 V CA -0.431 61.569 62.300 -0.501 0.000 0.857 1010 V CB 1.580 32.775 31.823 -1.046 0.000 0.985 1010 V HN 0.380 nan 8.190 nan 0.000 0.443 1011 K N 5.621 125.888 120.400 -0.222 0.000 2.413 1011 K HA 0.444 4.764 4.320 0.000 0.000 0.257 1011 K C -0.921 175.676 176.600 -0.004 0.000 0.946 1011 K CA -0.686 55.599 56.287 -0.003 0.000 0.823 1011 K CB 2.037 34.572 32.500 0.059 0.000 1.109 1011 K HN 0.725 nan 8.250 nan 0.000 0.427 1012 L N 4.506 125.749 121.223 0.033 0.000 2.499 1012 L HA 0.079 4.419 4.340 0.000 0.000 0.273 1012 L C 0.239 177.102 176.870 -0.013 0.000 1.195 1012 L CA 0.146 54.958 54.840 -0.047 0.000 0.882 1012 L CB 0.315 42.168 42.059 -0.344 0.000 1.133 1012 L HN 0.632 nan 8.230 nan 0.000 0.483 1013 K N 5.883 126.290 120.400 0.012 0.000 2.510 1013 K HA -0.094 4.226 4.320 0.000 0.000 0.272 1013 K C -2.204 174.404 176.600 0.012 0.000 1.025 1013 K CA -0.804 55.494 56.287 0.018 0.000 1.134 1013 K CB -0.355 32.154 32.500 0.016 0.000 0.827 1013 K HN 0.434 nan 8.250 nan 0.000 0.485 1014 P HA -0.177 nan 4.420 nan 0.000 0.258 1014 P C 0.836 178.149 177.300 0.021 0.000 1.172 1014 P CA 1.323 64.437 63.100 0.024 0.000 0.762 1014 P CB 0.567 32.281 31.700 0.023 0.000 0.764 1015 G N 2.987 111.804 108.800 0.027 0.000 3.922 1015 G HA2 -0.237 3.723 3.960 0.000 0.000 0.208 1015 G HA3 -0.237 3.723 3.960 0.000 0.000 0.208 1015 G C 0.098 175.017 174.900 0.032 0.000 1.491 1015 G CA -0.172 44.946 45.100 0.030 0.000 1.017 1015 G HN 0.476 nan 8.290 nan 0.000 0.603 1016 M N 1.850 121.463 119.600 0.022 0.000 2.234 1016 M HA 0.414 4.894 4.480 0.000 0.000 0.326 1016 M C 0.044 176.355 176.300 0.019 0.000 1.077 1016 M CA 0.439 55.752 55.300 0.022 0.000 1.052 1016 M CB -0.105 32.501 32.600 0.011 0.000 1.607 1016 M HN 0.443 nan 8.290 nan 0.000 0.445 1017 D N 0.357 120.787 120.400 0.050 0.000 2.299 1017 D HA 0.613 5.253 4.640 0.000 0.000 0.243 1017 D C 0.226 176.575 176.300 0.082 0.000 0.982 1017 D CA -0.019 54.047 54.000 0.111 0.000 0.924 1017 D CB 1.483 42.395 40.800 0.186 0.000 1.238 1017 D HN 0.725 nan 8.370 nan 0.000 0.484 1018 G N 1.154 110.009 108.800 0.090 0.000 2.902 1018 G HA2 0.137 4.097 3.960 0.000 0.000 0.240 1018 G HA3 0.137 4.097 3.960 0.000 0.000 0.240 1018 G C -2.171 172.787 174.900 0.095 0.000 1.244 1018 G CA -0.661 44.285 45.100 -0.258 0.000 0.862 1018 G HN 0.436 nan 8.290 nan 0.000 0.603 1019 P HA 0.292 nan 4.420 nan 0.000 0.279 1019 P C -0.820 176.644 177.300 0.274 0.000 1.239 1019 P CA -0.248 62.949 63.100 0.162 0.000 0.789 1019 P CB 1.264 33.042 31.700 0.130 0.000 0.933 1020 K N 1.784 122.300 120.400 0.193 0.000 3.206 1020 K HA 0.318 4.638 4.320 0.000 0.000 0.180 1020 K C -0.770 175.871 176.600 0.069 0.000 1.088 1020 K CA -0.442 55.930 56.287 0.141 0.000 0.872 1020 K CB 1.014 33.576 32.500 0.103 0.000 0.976 1020 K HN 0.216 nan 8.250 nan 0.000 0.564 1021 V N 1.874 121.828 119.914 0.066 0.000 2.481 1021 V HA 0.213 4.333 4.120 0.000 0.000 0.286 1021 V C 0.146 176.219 176.094 -0.035 0.000 1.042 1021 V CA -0.845 61.468 62.300 0.022 0.000 0.928 1021 V CB 1.288 33.147 31.823 0.060 0.000 0.986 1021 V HN 0.310 nan 8.190 nan 0.000 0.462 1022 K N 2.729 123.060 120.400 -0.115 0.000 2.295 1022 K HA 0.291 4.611 4.320 0.000 0.000 0.270 1022 K C -0.049 176.407 176.600 -0.240 0.000 1.011 1022 K CA -0.172 56.010 56.287 -0.175 0.000 0.953 1022 K CB 0.241 32.603 32.500 -0.229 0.000 0.956 1022 K HN 0.682 nan 8.250 nan 0.000 0.477 1023 Q N 1.545 121.240 119.800 -0.174 0.000 2.286 1023 Q HA 0.159 4.499 4.340 0.000 0.000 0.257 1023 Q C -1.241 174.664 176.000 -0.158 0.000 0.941 1023 Q CA -0.051 55.668 55.803 -0.139 0.000 0.912 1023 Q CB 0.440 29.134 28.738 -0.073 0.000 1.192 1023 Q HN 0.414 nan 8.270 nan 0.000 0.410 1024 W N 5.402 126.675 121.300 -0.045 0.000 2.190 1024 W HA 0.296 4.956 4.660 -0.000 0.000 0.330 1024 W C -1.729 174.778 176.519 -0.021 0.000 1.299 1024 W CA -1.757 55.604 57.345 0.027 0.000 1.215 1024 W CB 0.081 29.645 29.460 0.172 0.000 1.147 1024 W HN 0.612 nan 8.180 nan 0.000 0.563 1025 P HA 0.015 nan 4.420 nan 0.000 0.267 1025 P C -0.726 176.623 177.300 0.081 0.000 1.205 1025 P CA 0.126 63.288 63.100 0.104 0.000 0.765 1025 P CB 0.387 32.137 31.700 0.083 0.000 0.828 1026 L N 2.396 123.626 121.223 0.011 0.000 2.319 1026 L HA 0.512 4.852 4.340 0.000 0.000 0.267 1026 L C 0.800 177.628 176.870 -0.069 0.000 1.011 1026 L CA -0.465 54.356 54.840 -0.033 0.000 0.818 1026 L CB 1.208 43.233 42.059 -0.057 0.000 1.316 1026 L HN 0.350 nan 8.230 nan 0.000 0.432 1027 T N -2.899 111.594 114.554 -0.102 0.000 2.899 1027 T HA 0.150 4.500 4.350 0.000 0.000 0.295 1027 T C 1.005 175.640 174.700 -0.110 0.000 1.033 1027 T CA -0.273 61.766 62.100 -0.102 0.000 1.084 1027 T CB 0.684 69.489 68.868 -0.105 0.000 0.979 1027 T HN 0.710 nan 8.240 nan 0.000 0.532 1028 E N 1.058 121.207 120.200 -0.084 0.000 2.086 1028 E HA -0.335 4.015 4.350 0.000 0.000 0.200 1028 E C 1.921 178.451 176.600 -0.118 0.000 1.012 1028 E CA 2.140 58.490 56.400 -0.083 0.000 0.812 1028 E CB -0.151 29.517 29.700 -0.054 0.000 0.743 1028 E HN 0.954 nan 8.360 nan 0.000 0.453 1029 E N 0.491 120.620 120.200 -0.118 0.000 2.077 1029 E HA -0.227 4.123 4.350 0.000 0.000 0.193 1029 E C 2.007 178.381 176.600 -0.377 0.000 0.989 1029 E CA 1.314 57.624 56.400 -0.151 0.000 0.800 1029 E CB -0.146 29.533 29.700 -0.035 0.000 0.746 1029 E HN 0.187 nan 8.360 nan 0.000 0.452 1030 K N 0.624 120.758 120.400 -0.444 0.000 2.062 1030 K HA -0.033 4.287 4.320 0.000 0.000 0.205 1030 K C 2.329 178.665 176.600 -0.439 0.000 1.051 1030 K CA 1.484 57.368 56.287 -0.671 0.000 0.941 1030 K CB -0.206 32.012 32.500 -0.471 0.000 0.719 1030 K HN 0.196 nan 8.250 nan 0.000 0.440 1031 I N 1.788 122.201 120.570 -0.262 0.000 2.118 1031 I HA -0.352 3.818 4.170 0.000 0.000 0.241 1031 I C 2.179 178.194 176.117 -0.170 0.000 1.070 1031 I CA 1.313 62.510 61.300 -0.172 0.000 1.327 1031 I CB -0.404 37.529 38.000 -0.112 0.000 1.034 1031 I HN 0.118 nan 8.210 nan 0.000 0.405 1032 K N 1.110 121.404 120.400 -0.176 0.000 2.044 1032 K HA -0.190 4.130 4.320 0.000 0.000 0.210 1032 K C 2.184 178.682 176.600 -0.170 0.000 1.049 1032 K CA 1.874 58.077 56.287 -0.140 0.000 0.927 1032 K CB -0.802 31.628 32.500 -0.116 0.000 0.713 1032 K HN 0.409 nan 8.250 nan 0.000 0.443 1033 A N 1.238 123.871 122.820 -0.312 0.000 1.969 1033 A HA -0.065 4.255 4.320 0.000 0.000 0.218 1033 A C 2.357 179.812 177.584 -0.215 0.000 1.169 1033 A CA 0.963 52.793 52.037 -0.344 0.000 0.635 1033 A CB -0.484 17.985 19.000 -0.885 0.000 0.810 1033 A HN 0.167 nan 8.150 nan 0.000 0.445 1034 L N -0.088 121.008 121.223 -0.210 0.000 2.027 1034 L HA -0.153 4.187 4.340 0.000 0.000 0.206 1034 L C 2.782 179.616 176.870 -0.059 0.000 1.074 1034 L CA 1.532 56.303 54.840 -0.114 0.000 0.745 1034 L CB -0.679 41.323 42.059 -0.095 0.000 0.898 1034 L HN 0.463 nan 8.230 nan 0.000 0.433 1035 V N -1.895 117.992 119.914 -0.045 0.000 2.255 1035 V HA -0.309 3.811 4.120 0.000 0.000 0.247 1035 V C 2.268 178.349 176.094 -0.022 0.000 1.051 1035 V CA 2.171 64.468 62.300 -0.005 0.000 1.018 1035 V CB -0.901 30.922 31.823 -0.001 0.000 0.641 1035 V HN 0.598 nan 8.190 nan 0.000 0.445 1036 E N 0.110 120.290 120.200 -0.034 0.000 2.097 1036 E HA -0.267 4.083 4.350 0.000 0.000 0.196 1036 E C 2.097 178.680 176.600 -0.028 0.000 1.000 1036 E CA 2.211 58.597 56.400 -0.022 0.000 0.804 1036 E CB -0.233 29.459 29.700 -0.013 0.000 0.740 1036 E HN 0.615 nan 8.360 nan 0.000 0.454 1037 I N 0.959 121.507 120.570 -0.036 0.000 2.099 1037 I HA -0.304 3.866 4.170 0.000 0.000 0.239 1037 I C 2.526 178.584 176.117 -0.099 0.000 1.066 1037 I CA 1.057 62.331 61.300 -0.043 0.000 1.324 1037 I CB -0.660 37.321 38.000 -0.031 0.000 1.037 1037 I HN 0.307 nan 8.210 nan 0.000 0.401 1038 C N -0.218 119.001 119.300 -0.135 0.000 2.449 1038 C HA -0.075 4.385 4.460 0.000 0.000 0.283 1038 C C 2.772 177.611 174.990 -0.252 0.000 1.453 1038 C CA 1.113 59.955 59.018 -0.293 0.000 1.779 1038 C CB -1.468 26.028 27.740 -0.406 0.000 1.779 1038 C HN 0.536 nan 8.230 nan 0.000 0.546 1039 T N 0.205 114.699 114.554 -0.101 0.000 2.851 1039 T HA -0.089 4.261 4.350 0.000 0.000 0.262 1039 T C 1.887 176.552 174.700 -0.057 0.000 1.043 1039 T CA 1.048 63.122 62.100 -0.044 0.000 1.140 1039 T CB -0.144 68.719 68.868 -0.009 0.000 0.872 1039 T HN 0.507 nan 8.240 nan 0.000 0.446 1040 E N 1.153 121.316 120.200 -0.061 0.000 2.051 1040 E HA -0.020 4.330 4.350 0.000 0.000 0.192 1040 E C 2.219 178.767 176.600 -0.086 0.000 0.991 1040 E CA 0.968 57.336 56.400 -0.054 0.000 0.799 1040 E CB -0.323 29.355 29.700 -0.036 0.000 0.748 1040 E HN 0.498 nan 8.360 nan 0.000 0.449 1041 M N 0.473 119.989 119.600 -0.140 0.000 2.149 1041 M HA -0.209 4.271 4.480 0.000 0.000 0.261 1041 M C 2.265 178.457 176.300 -0.180 0.000 1.064 1041 M CA 1.823 57.003 55.300 -0.200 0.000 1.102 1041 M CB -0.338 32.092 32.600 -0.284 0.000 1.369 1041 M HN 0.120 nan 8.290 nan 0.000 0.408 1042 E N 0.520 120.624 120.200 -0.161 0.000 2.112 1042 E HA -0.212 4.138 4.350 0.000 0.000 0.190 1042 E C 1.816 178.389 176.600 -0.046 0.000 0.979 1042 E CA 1.177 57.522 56.400 -0.091 0.000 0.814 1042 E CB -0.333 29.350 29.700 -0.027 0.000 0.762 1042 E HN 0.290 nan 8.360 nan 0.000 0.460 1043 K N 2.324 122.698 120.400 -0.042 0.000 2.113 1043 K HA -0.231 4.089 4.320 0.000 0.000 0.208 1043 K C 1.611 178.198 176.600 -0.021 0.000 1.047 1043 K CA 2.062 58.336 56.287 -0.023 0.000 0.928 1043 K CB -0.189 32.299 32.500 -0.020 0.000 0.716 1043 K HN 0.498 nan 8.250 nan 0.000 0.446 1044 E N -1.074 119.105 120.200 -0.035 0.000 2.451 1044 E HA 0.168 4.518 4.350 0.000 0.000 0.194 1044 E C 0.454 177.041 176.600 -0.022 0.000 1.027 1044 E CA 0.249 56.636 56.400 -0.022 0.000 0.914 1044 E CB 0.075 29.763 29.700 -0.020 0.000 1.054 1044 E HN 0.391 nan 8.360 nan 0.000 0.461 1045 G N 2.183 110.966 108.800 -0.029 0.000 2.143 1045 G HA2 -0.338 3.622 3.960 0.000 0.000 0.248 1045 G HA3 -0.338 3.622 3.960 0.000 0.000 0.248 1045 G C 0.804 175.692 174.900 -0.020 0.000 0.991 1045 G CA 0.633 45.725 45.100 -0.013 0.000 0.689 1045 G HN 0.343 nan 8.290 nan 0.000 0.522 1046 K N -0.532 119.819 120.400 -0.081 0.000 2.243 1046 K HA 0.305 4.625 4.320 0.000 0.000 0.201 1046 K C 1.325 177.856 176.600 -0.114 0.000 1.051 1046 K CA 1.366 57.587 56.287 -0.110 0.000 0.970 1046 K CB 0.257 32.572 32.500 -0.308 0.000 0.755 1046 K HN 0.825 nan 8.250 nan 0.000 0.465 1047 I N -3.373 117.102 120.570 -0.159 0.000 2.994 1047 I HA 0.387 4.557 4.170 0.000 0.000 0.306 1047 I C -1.139 174.957 176.117 -0.035 0.000 1.195 1047 I CA -0.947 60.254 61.300 -0.165 0.000 1.001 1047 I CB 2.593 40.373 38.000 -0.367 0.000 1.244 1047 I HN -0.331 nan 8.210 nan 0.000 0.437 1048 S N 2.275 117.994 115.700 0.032 0.000 2.548 1048 S HA 0.483 4.953 4.470 0.000 0.000 0.286 1048 S C -0.712 173.917 174.600 0.048 0.000 1.098 1048 S CA -0.999 57.234 58.200 0.056 0.000 0.930 1048 S CB 1.787 64.994 63.200 0.011 0.000 1.070 1048 S HN 0.476 nan 8.310 nan 0.000 0.480 1049 K N 2.045 122.430 120.400 -0.025 0.000 2.397 1049 K HA 0.252 4.572 4.320 0.000 0.000 0.265 1049 K C 0.190 176.685 176.600 -0.175 0.000 0.982 1049 K CA 0.244 56.397 56.287 -0.223 0.000 0.931 1049 K CB 0.056 32.426 32.500 -0.217 0.000 0.943 1049 K HN 0.743 nan 8.250 nan 0.000 0.501 1050 I N -3.350 117.085 120.570 -0.225 0.000 3.074 1050 I HA 0.629 4.799 4.170 0.000 0.000 0.310 1050 I C 0.058 176.077 176.117 -0.162 0.000 1.153 1050 I CA -1.091 60.111 61.300 -0.163 0.000 0.993 1050 I CB 2.240 40.150 38.000 -0.150 0.000 1.237 1050 I HN 0.500 nan 8.210 nan 0.000 0.443 1051 G N 1.046 109.771 108.800 -0.126 0.000 2.753 1051 G HA2 0.613 4.573 3.960 0.000 0.000 0.285 1051 G HA3 0.613 4.573 3.960 0.000 0.000 0.285 1051 G C -2.060 172.771 174.900 -0.114 0.000 1.344 1051 G CA -1.270 43.761 45.100 -0.116 0.000 1.050 1051 G HN 0.566 nan 8.290 nan 0.000 0.532 1052 P HA -0.029 nan 4.420 nan 0.000 0.229 1052 P C 1.159 178.395 177.300 -0.107 0.000 1.160 1052 P CA 0.720 63.758 63.100 -0.104 0.000 0.777 1052 P CB 0.242 31.888 31.700 -0.090 0.000 0.814 1053 E N -0.111 120.030 120.200 -0.099 0.000 2.533 1053 E HA -0.100 4.250 4.350 0.000 0.000 0.201 1053 E C 0.000 176.529 176.600 -0.118 0.000 1.097 1053 E CA 0.342 56.683 56.400 -0.098 0.000 0.887 1053 E CB -0.800 28.853 29.700 -0.079 0.000 0.855 1053 E HN 0.120 nan 8.360 nan 0.000 0.540 1054 N N 1.716 120.339 118.700 -0.129 0.000 2.564 1054 N HA 0.161 4.901 4.740 0.000 0.000 0.248 1054 N C -2.258 173.134 175.510 -0.196 0.000 0.986 1054 N CA -1.971 50.995 53.050 -0.140 0.000 0.921 1054 N CB 1.762 40.197 38.487 -0.088 0.000 1.136 1054 N HN -0.119 nan 8.380 nan 0.000 0.509 1055 P HA 0.191 nan 4.420 nan 0.000 0.254 1055 P C -0.886 176.158 177.300 -0.428 0.000 1.494 1055 P CA 0.009 62.870 63.100 -0.399 0.000 0.961 1055 P CB -0.202 31.211 31.700 -0.478 0.000 1.493 1056 Y N 0.546 120.812 120.300 -0.057 0.000 2.496 1056 Y HA 0.611 5.161 4.550 -0.000 0.000 0.331 1056 Y C 0.670 176.561 175.900 -0.015 0.000 1.140 1056 Y CA -0.904 57.182 58.100 -0.024 0.000 1.166 1056 Y CB 1.340 39.783 38.460 -0.028 0.000 1.249 1056 Y HN -0.134 nan 8.280 nan 0.000 0.479 1057 N N -0.640 118.184 118.700 0.207 0.000 2.446 1057 N HA 0.481 5.221 4.740 0.000 0.000 0.272 1057 N C -1.845 173.739 175.510 0.124 0.000 1.127 1057 N CA -0.339 52.786 53.050 0.125 0.000 0.896 1057 N CB 1.766 40.283 38.487 0.051 0.000 1.658 1057 N HN 0.544 nan 8.380 nan 0.000 0.483 1058 T N 2.659 117.284 114.554 0.118 0.000 2.893 1058 T HA 0.607 4.957 4.350 0.000 0.000 0.293 1058 T C -2.790 171.908 174.700 -0.004 0.000 1.027 1058 T CA -1.110 61.015 62.100 0.043 0.000 0.988 1058 T CB 1.964 70.804 68.868 -0.047 0.000 1.043 1058 T HN 0.316 nan 8.240 nan 0.000 0.461 1059 P HA 0.396 nan 4.420 nan 0.000 0.274 1059 P C -1.015 176.093 177.300 -0.320 0.000 1.231 1059 P CA -0.510 62.512 63.100 -0.129 0.000 0.790 1059 P CB 0.586 32.312 31.700 0.043 0.000 0.951 1060 V N -0.628 118.984 119.914 -0.503 0.000 2.876 1060 V HA 0.768 4.888 4.120 0.000 0.000 0.312 1060 V C -1.123 174.529 176.094 -0.735 0.000 1.085 1060 V CA -0.792 61.220 62.300 -0.481 0.000 0.945 1060 V CB 1.575 33.234 31.823 -0.274 0.000 1.017 1060 V HN 0.312 nan 8.190 nan 0.000 0.428 1061 F N 1.070 120.996 119.950 -0.040 0.000 2.675 1061 F HA 0.960 5.487 4.527 -0.000 0.000 0.324 1061 F C 0.301 176.054 175.800 -0.077 0.000 1.106 1061 F CA -0.520 57.432 58.000 -0.081 0.000 0.970 1061 F CB 2.064 40.979 39.000 -0.142 0.000 1.385 1061 F HN 0.881 nan 8.300 nan 0.000 0.489 1062 A N 1.690 124.581 122.820 0.119 0.000 2.343 1062 A HA 0.850 5.170 4.320 0.000 0.000 0.308 1062 A C -0.862 176.908 177.584 0.310 0.000 1.092 1062 A CA -0.569 51.541 52.037 0.121 0.000 0.751 1062 A CB 0.590 19.484 19.000 -0.176 0.000 1.203 1062 A HN 0.719 nan 8.150 nan 0.000 0.452 1063 I N -1.104 119.673 120.570 0.345 0.000 3.023 1063 I HA 0.612 4.782 4.170 0.000 0.000 0.312 1063 I C 0.329 176.557 176.117 0.184 0.000 1.056 1063 I CA -1.048 60.404 61.300 0.252 0.000 1.033 1063 I CB 2.180 40.264 38.000 0.140 0.000 1.233 1063 I HN 0.581 nan 8.210 nan 0.000 0.462 1064 K N 0.760 121.102 120.400 -0.098 0.000 2.262 1064 K HA 0.358 4.678 4.320 0.000 0.000 0.200 1064 K C -0.543 175.969 176.600 -0.148 0.000 1.058 1064 K CA 0.300 56.417 56.287 -0.284 0.000 0.974 1064 K CB 0.416 32.596 32.500 -0.533 0.000 0.910 1064 K HN 0.599 nan 8.250 nan 0.000 0.484 1071 W N 3.628 124.923 121.300 -0.008 0.000 2.112 1071 W HA 0.392 5.052 4.660 -0.000 0.000 0.349 1071 W C 0.818 177.338 176.519 0.003 0.000 1.289 1071 W CA -0.076 57.264 57.345 -0.008 0.000 1.256 1071 W CB 0.663 30.116 29.460 -0.011 0.000 1.148 1071 W HN 0.525 nan 8.180 nan 0.000 0.590 1072 R N 2.677 123.374 120.500 0.328 0.000 2.548 1072 R HA 0.257 4.597 4.340 0.000 0.000 0.280 1072 R C -0.877 175.531 176.300 0.180 0.000 1.061 1072 R CA -0.924 55.295 56.100 0.198 0.000 0.915 1072 R CB 1.332 31.714 30.300 0.136 0.000 1.210 1072 R HN 0.493 nan 8.270 nan 0.000 0.442 1073 K N 3.569 124.044 120.400 0.125 0.000 2.382 1073 K HA 0.125 4.445 4.320 0.000 0.000 0.275 1073 K C -1.248 175.415 176.600 0.105 0.000 1.009 1073 K CA -0.206 56.125 56.287 0.074 0.000 0.970 1073 K CB 0.600 33.111 32.500 0.017 0.000 0.934 1073 K HN 0.462 nan 8.250 nan 0.000 0.479 1074 L N 5.044 126.324 121.223 0.096 0.000 2.491 1074 L HA 0.281 4.621 4.340 0.000 0.000 0.267 1074 L C -1.503 175.431 176.870 0.106 0.000 0.971 1074 L CA -0.574 54.355 54.840 0.148 0.000 0.857 1074 L CB 1.696 43.887 42.059 0.220 0.000 1.226 1074 L HN 0.310 nan 8.230 nan 0.000 0.408 1075 V N 2.725 122.639 119.914 -0.000 0.000 2.567 1075 V HA 0.398 4.518 4.120 0.000 0.000 0.289 1075 V C -0.215 175.793 176.094 -0.143 0.000 1.049 1075 V CA -0.546 61.612 62.300 -0.237 0.000 0.969 1075 V CB 1.538 32.989 31.823 -0.620 0.000 0.995 1075 V HN 0.762 nan 8.190 nan 0.000 0.471 1076 D N 2.635 122.964 120.400 -0.118 0.000 2.499 1076 D HA 0.274 4.914 4.640 0.000 0.000 0.225 1076 D C 0.091 176.361 176.300 -0.050 0.000 1.124 1076 D CA -0.417 53.623 54.000 0.067 0.000 0.938 1076 D CB 0.236 41.234 40.800 0.330 0.000 1.014 1076 D HN 0.365 nan 8.370 nan 0.000 0.517 1077 F N 1.867 121.904 119.950 0.146 0.000 2.693 1077 F HA 0.235 4.762 4.527 -0.000 0.000 0.303 1077 F C 2.108 177.983 175.800 0.125 0.000 1.143 1077 F CA -0.289 57.792 58.000 0.136 0.000 1.389 1077 F CB 0.005 39.104 39.000 0.165 0.000 1.060 1077 F HN 0.210 nan 8.300 nan 0.000 0.535 1078 R N 0.657 121.286 120.500 0.215 0.000 2.159 1078 R HA -0.273 4.067 4.340 0.000 0.000 0.252 1078 R C 2.245 178.644 176.300 0.165 0.000 1.144 1078 R CA 2.115 58.294 56.100 0.132 0.000 0.961 1078 R CB -0.328 29.988 30.300 0.027 0.000 0.877 1078 R HN 0.181 nan 8.270 nan 0.000 0.444 1079 E N 0.158 120.463 120.200 0.175 0.000 2.028 1079 E HA -0.083 4.267 4.350 0.000 0.000 0.190 1079 E C 1.837 178.559 176.600 0.203 0.000 0.984 1079 E CA 1.025 57.524 56.400 0.166 0.000 0.800 1079 E CB -0.378 29.408 29.700 0.143 0.000 0.758 1079 E HN 0.303 nan 8.360 nan 0.000 0.448 1080 L N 0.645 122.021 121.223 0.256 0.000 2.043 1080 L HA -0.282 4.058 4.340 0.000 0.000 0.212 1080 L C 1.907 178.987 176.870 0.349 0.000 1.075 1080 L CA 1.982 56.977 54.840 0.258 0.000 0.752 1080 L CB -0.443 41.802 42.059 0.309 0.000 0.891 1080 L HN 0.302 nan 8.230 nan 0.000 0.432 1081 N N -0.562 118.370 118.700 0.386 0.000 2.104 1081 N HA -0.224 4.516 4.740 0.000 0.000 0.190 1081 N C 1.534 177.351 175.510 0.512 0.000 1.024 1081 N CA 1.139 54.435 53.050 0.411 0.000 0.853 1081 N CB -0.010 38.567 38.487 0.150 0.000 1.008 1081 N HN 0.317 nan 8.380 nan 0.000 0.424 1082 K N 0.725 121.324 120.400 0.332 0.000 2.442 1082 K HA -0.023 4.297 4.320 0.000 0.000 0.198 1082 K C 1.111 177.837 176.600 0.210 0.000 1.042 1082 K CA 0.680 57.126 56.287 0.266 0.000 0.958 1082 K CB 0.134 32.738 32.500 0.173 0.000 0.766 1082 K HN 0.263 nan 8.250 nan 0.000 0.474 1083 R N -0.109 120.522 120.500 0.219 0.000 2.437 1083 R HA 0.034 4.374 4.340 0.000 0.000 0.257 1083 R C 1.080 177.470 176.300 0.150 0.000 0.927 1083 R CA 0.588 56.770 56.100 0.136 0.000 1.078 1083 R CB 0.737 31.083 30.300 0.078 0.000 1.161 1083 R HN 0.143 nan 8.270 nan 0.000 0.529 1084 T N -3.886 110.835 114.554 0.278 0.000 3.087 1084 T HA 0.009 4.359 4.350 0.000 0.000 0.283 1084 T C 1.446 176.243 174.700 0.163 0.000 0.956 1084 T CA -0.396 61.886 62.100 0.302 0.000 0.894 1084 T CB 0.569 69.754 68.868 0.528 0.000 1.160 1084 T HN -0.015 nan 8.240 nan 0.000 0.532 1085 Q N 1.849 121.655 119.800 0.011 0.000 2.156 1085 Q HA -0.322 4.018 4.340 0.000 0.000 0.211 1085 Q C 1.826 177.299 176.000 -0.879 0.000 0.995 1085 Q CA 2.670 57.968 55.803 -0.842 0.000 0.877 1085 Q CB -0.491 27.991 28.738 -0.427 0.000 0.920 1085 Q HN 0.707 nan 8.270 nan 0.000 0.416 1086 D N -0.955 119.233 120.400 -0.353 0.000 2.149 1086 D HA -0.236 4.404 4.640 0.000 0.000 0.194 1086 D C 1.557 177.743 176.300 -0.190 0.000 1.001 1086 D CA 1.606 55.465 54.000 -0.235 0.000 0.849 1086 D CB -0.365 40.382 40.800 -0.089 0.000 0.939 1086 D HN 0.427 nan 8.370 nan 0.000 0.449 1087 F N 0.836 120.644 119.950 -0.238 0.000 2.000 1087 F HA -0.146 4.381 4.527 -0.000 0.000 0.295 1087 F C 2.173 177.872 175.800 -0.167 0.000 1.159 1087 F CA 2.256 60.170 58.000 -0.143 0.000 1.171 1087 F CB -0.592 38.388 39.000 -0.032 0.000 0.971 1087 F HN 0.227 nan 8.300 nan 0.000 0.479 1088 W N 0.631 121.918 121.300 -0.022 0.000 2.465 1088 W HA -0.072 4.588 4.660 0.000 0.000 0.268 1088 W C 1.684 178.101 176.519 -0.170 0.000 1.242 1088 W CA 1.174 58.397 57.345 -0.203 0.000 1.248 1088 W CB -1.126 28.202 29.460 -0.220 0.000 1.118 1088 W HN 0.328 nan 8.180 nan 0.000 0.587 1089 E N 0.840 120.720 120.200 -0.534 0.000 2.094 1089 E HA -0.067 4.283 4.350 0.000 0.000 0.193 1089 E C 1.977 178.426 176.600 -0.253 0.000 0.950 1089 E CA 0.644 56.781 56.400 -0.439 0.000 0.842 1089 E CB 0.141 29.303 29.700 -0.896 0.000 0.816 1089 E HN 0.015 nan 8.360 nan 0.000 0.465 1090 V N 1.058 120.799 119.914 -0.287 0.000 3.590 1090 V HA -0.021 4.099 4.120 0.000 0.000 0.265 1090 V C 1.881 177.872 176.094 -0.173 0.000 1.239 1090 V CA 0.893 63.081 62.300 -0.187 0.000 1.117 1090 V CB 0.698 32.420 31.823 -0.168 0.000 0.818 1090 V HN 0.223 nan 8.190 nan 0.000 0.451 1091 Q N 0.369 120.031 119.800 -0.231 0.000 2.178 1091 Q HA 0.167 4.507 4.340 0.000 0.000 0.195 1091 Q C 1.317 177.148 176.000 -0.282 0.000 0.960 1091 Q CA 1.502 57.149 55.803 -0.260 0.000 0.843 1091 Q CB 0.274 28.792 28.738 -0.367 0.000 0.927 1091 Q HN 0.529 nan 8.270 nan 0.000 0.487 1092 L N 0.886 121.908 121.223 -0.334 0.000 3.289 1092 L HA 0.510 4.850 4.340 0.000 0.000 0.291 1092 L C 0.323 177.112 176.870 -0.135 0.000 1.279 1092 L CA -0.525 54.156 54.840 -0.265 0.000 1.025 1092 L CB 1.022 42.842 42.059 -0.398 0.000 1.413 1092 L HN 0.207 nan 8.230 nan 0.000 0.593 1093 G N 0.847 109.595 108.800 -0.086 0.000 2.391 1093 G HA2 0.269 4.229 3.960 0.000 0.000 0.234 1093 G HA3 0.269 4.229 3.960 0.000 0.000 0.234 1093 G C -0.326 174.602 174.900 0.047 0.000 1.284 1093 G CA -0.079 45.032 45.100 0.018 0.000 0.873 1093 G HN 0.090 nan 8.290 nan 0.000 0.549 1094 I N 3.988 124.624 120.570 0.110 0.000 2.342 1094 I HA 0.260 4.430 4.170 0.000 0.000 0.291 1094 I C -1.425 174.826 176.117 0.222 0.000 1.010 1094 I CA -1.727 59.655 61.300 0.137 0.000 1.308 1094 I CB 1.489 39.566 38.000 0.128 0.000 1.400 1094 I HN 0.350 nan 8.210 nan 0.000 0.488 1095 P HA 0.066 nan 4.420 nan 0.000 0.271 1095 P C -0.904 176.551 177.300 0.258 0.000 1.216 1095 P CA -0.058 63.153 63.100 0.185 0.000 0.776 1095 P CB 0.671 32.435 31.700 0.106 0.000 0.881 1096 H N 4.097 123.213 119.070 0.076 0.000 2.504 1096 H HA 0.318 4.874 4.556 0.000 0.000 0.322 1096 H C -2.198 173.030 175.328 -0.168 0.000 1.055 1096 H CA -1.933 54.021 56.048 -0.156 0.000 1.231 1096 H CB 1.255 30.868 29.762 -0.247 0.000 1.417 1096 H HN 0.286 nan 8.280 nan 0.000 0.472 1097 P HA 0.179 nan 4.420 nan 0.000 0.281 1097 P C 0.214 177.235 177.300 -0.464 0.000 1.252 1097 P CA -0.436 62.432 63.100 -0.386 0.000 0.778 1097 P CB 1.369 32.899 31.700 -0.282 0.000 0.895 1098 A N 3.034 125.750 122.820 -0.173 0.000 2.206 1098 A HA 0.106 4.426 4.320 0.000 0.000 0.211 1098 A C 2.057 179.567 177.584 -0.123 0.000 1.158 1098 A CA 1.315 53.295 52.037 -0.094 0.000 0.761 1098 A CB -1.009 17.988 19.000 -0.005 0.000 0.801 1098 A HN 0.646 nan 8.150 nan 0.000 0.473 1099 G N 0.013 108.728 108.800 -0.142 0.000 2.394 1099 G HA2 -0.063 3.897 3.960 0.000 0.000 0.215 1099 G HA3 -0.063 3.897 3.960 0.000 0.000 0.215 1099 G C 1.389 176.209 174.900 -0.133 0.000 1.165 1099 G CA 0.949 45.983 45.100 -0.111 0.000 0.784 1099 G HN 0.414 nan 8.290 nan 0.000 0.535 1100 L N 1.648 122.759 121.223 -0.187 0.000 1.997 1100 L HA -0.229 4.111 4.340 0.000 0.000 0.227 1100 L C 2.728 179.500 176.870 -0.163 0.000 1.087 1100 L CA 2.912 57.650 54.840 -0.171 0.000 0.797 1100 L CB -0.471 41.433 42.059 -0.259 0.000 0.902 1100 L HN 0.329 nan 8.230 nan 0.000 0.441 1101 K N -0.195 120.098 120.400 -0.178 0.000 2.442 1101 K HA -0.226 4.094 4.320 0.000 0.000 0.199 1101 K C 1.751 178.242 176.600 -0.181 0.000 1.044 1101 K CA 1.750 57.929 56.287 -0.179 0.000 0.941 1101 K CB -0.208 32.197 32.500 -0.158 0.000 0.759 1101 K HN 0.486 nan 8.250 nan 0.000 0.472 1102 K N 0.319 120.633 120.400 -0.143 0.000 2.361 1102 K HA 0.093 4.413 4.320 0.000 0.000 0.194 1102 K C 0.050 176.577 176.600 -0.121 0.000 1.032 1102 K CA -0.107 56.111 56.287 -0.116 0.000 1.048 1102 K CB 0.450 32.904 32.500 -0.078 0.000 0.842 1102 K HN -0.044 nan 8.250 nan 0.000 0.526 1103 K N 1.399 121.719 120.400 -0.134 0.000 2.237 1103 K HA 0.074 4.394 4.320 0.000 0.000 0.270 1103 K C 0.760 177.273 176.600 -0.145 0.000 1.015 1103 K CA 0.177 56.394 56.287 -0.117 0.000 0.949 1103 K CB 1.000 33.442 32.500 -0.096 0.000 0.976 1103 K HN -0.082 nan 8.250 nan 0.000 0.472 1104 K N 0.767 121.103 120.400 -0.107 0.000 2.044 1104 K HA -0.078 4.242 4.320 0.000 0.000 0.210 1104 K C 0.159 176.730 176.600 -0.048 0.000 1.049 1104 K CA 1.355 57.595 56.287 -0.078 0.000 0.927 1104 K CB 0.105 32.574 32.500 -0.052 0.000 0.713 1104 K HN 0.420 nan 8.250 nan 0.000 0.443 1105 S N 0.050 115.646 115.700 -0.173 0.000 2.532 1105 S HA 0.393 4.863 4.470 0.000 0.000 0.299 1105 S C -0.964 173.415 174.600 -0.368 0.000 1.105 1105 S CA -0.854 57.141 58.200 -0.341 0.000 1.018 1105 S CB 2.723 65.575 63.200 -0.581 0.000 1.021 1105 S HN -0.105 nan 8.310 nan 0.000 0.483 1106 V N 3.059 122.807 119.914 -0.278 0.000 2.483 1106 V HA 0.507 4.627 4.120 0.000 0.000 0.297 1106 V C -0.327 175.779 176.094 0.020 0.000 1.027 1106 V CA -0.424 61.834 62.300 -0.069 0.000 0.855 1106 V CB 2.094 33.909 31.823 -0.014 0.000 0.995 1106 V HN 0.959 nan 8.190 nan 0.000 0.424 1107 T N 4.546 119.180 114.554 0.132 0.000 2.824 1107 T HA 0.547 4.897 4.350 0.000 0.000 0.280 1107 T C -0.335 174.317 174.700 -0.080 0.000 0.995 1107 T CA -0.411 61.749 62.100 0.100 0.000 1.009 1107 T CB 1.647 70.617 68.868 0.171 0.000 0.955 1107 T HN 0.331 nan 8.240 nan 0.000 0.452 1108 V N 4.627 124.411 119.914 -0.217 0.000 2.333 1108 V HA 0.365 4.485 4.120 0.000 0.000 0.274 1108 V C -0.512 175.423 176.094 -0.266 0.000 1.028 1108 V CA -0.836 61.171 62.300 -0.488 0.000 0.851 1108 V CB 0.725 32.027 31.823 -0.869 0.000 1.000 1108 V HN 0.593 nan 8.190 nan 0.000 0.456 1109 L N 3.956 125.033 121.223 -0.243 0.000 2.295 1109 L HA 0.494 4.834 4.340 0.000 0.000 0.285 1109 L C 0.214 176.988 176.870 -0.160 0.000 1.035 1109 L CA -0.033 54.715 54.840 -0.154 0.000 0.806 1109 L CB 1.390 43.370 42.059 -0.132 0.000 1.214 1109 L HN 0.582 nan 8.230 nan 0.000 0.426 1110 D N 2.729 123.056 120.400 -0.120 0.000 2.352 1110 D HA 0.061 4.701 4.640 0.000 0.000 0.245 1110 D C 0.243 176.455 176.300 -0.147 0.000 1.224 1110 D CA 0.290 54.219 54.000 -0.119 0.000 0.879 1110 D CB 1.265 42.014 40.800 -0.086 0.000 1.057 1110 D HN 0.269 nan 8.370 nan 0.000 0.491 1111 V N 4.037 123.835 119.914 -0.194 0.000 3.528 1111 V HA 0.209 4.329 4.120 0.000 0.000 0.294 1111 V C 1.893 177.707 176.094 -0.467 0.000 1.404 1111 V CA 0.743 62.876 62.300 -0.277 0.000 1.065 1111 V CB 0.517 32.185 31.823 -0.258 0.000 0.904 1111 V HN 0.677 nan 8.190 nan 0.000 0.435 1112 G N 0.194 108.764 108.800 -0.383 0.000 2.513 1112 G HA2 -0.308 3.652 3.960 0.000 0.000 0.219 1112 G HA3 -0.308 3.652 3.960 0.000 0.000 0.219 1112 G C 0.988 175.484 174.900 -0.674 0.000 1.160 1112 G CA 1.051 45.864 45.100 -0.478 0.000 0.767 1112 G HN 0.569 nan 8.290 nan 0.000 0.571 1113 D N 0.718 120.841 120.400 -0.461 0.000 2.736 1113 D HA 0.382 5.022 4.640 0.000 0.000 0.228 1113 D C 1.052 177.088 176.300 -0.440 0.000 1.077 1113 D CA 0.572 54.305 54.000 -0.444 0.000 1.096 1113 D CB -0.403 40.302 40.800 -0.159 0.000 1.138 1113 D HN 0.228 nan 8.370 nan 0.000 0.461 1114 A N 1.059 123.476 122.820 -0.672 0.000 2.599 1114 A HA 0.027 4.347 4.320 0.000 0.000 0.162 1114 A C 1.229 178.475 177.584 -0.564 0.000 1.654 1114 A CA -0.321 51.407 52.037 -0.514 0.000 1.214 1114 A CB -0.575 18.090 19.000 -0.558 0.000 1.505 1114 A HN 0.329 nan 8.150 nan 0.000 0.481 1115 Y N -0.451 119.476 120.300 -0.622 0.000 2.403 1115 Y HA -0.180 4.370 4.550 0.000 0.000 0.291 1115 Y C 1.652 177.529 175.900 -0.039 0.000 1.143 1115 Y CA 1.042 58.896 58.100 -0.410 0.000 1.257 1115 Y CB -0.251 37.986 38.460 -0.371 0.000 0.984 1115 Y HN 0.411 nan 8.280 nan 0.000 0.550 1116 F N -0.722 119.314 119.950 0.143 0.000 2.641 1116 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 1116 F C 2.125 178.017 175.800 0.153 0.000 1.146 1116 F CA 0.229 58.325 58.000 0.159 0.000 1.464 1116 F CB -1.044 38.033 39.000 0.130 0.000 1.101 1116 F HN -0.056 nan 8.300 nan 0.000 0.585 1117 S N -0.430 115.451 115.700 0.301 0.000 2.336 1117 S HA -0.018 4.452 4.470 0.000 0.000 0.216 1117 S C 0.944 175.709 174.600 0.275 0.000 1.032 1117 S CA 0.345 58.707 58.200 0.270 0.000 0.973 1117 S CB -0.314 63.055 63.200 0.281 0.000 0.888 1117 S HN -0.027 nan 8.310 nan 0.000 0.455 1118 V N 4.921 125.026 119.914 0.318 0.000 2.521 1118 V HA 0.186 4.306 4.120 0.000 0.000 0.286 1118 V C -2.358 173.892 176.094 0.260 0.000 1.034 1118 V CA -1.595 60.880 62.300 0.291 0.000 1.045 1118 V CB 0.192 32.227 31.823 0.353 0.000 0.974 1118 V HN 0.210 nan 8.190 nan 0.000 0.480 1119 P HA 0.301 nan 4.420 nan 0.000 0.274 1119 P C -0.695 176.716 177.300 0.185 0.000 1.231 1119 P CA -0.530 62.683 63.100 0.188 0.000 0.790 1119 P CB 0.735 32.524 31.700 0.148 0.000 0.951 1120 L N 1.962 123.293 121.223 0.180 0.000 2.322 1120 L HA 0.377 4.717 4.340 0.000 0.000 0.279 1120 L C -0.041 176.915 176.870 0.143 0.000 1.036 1120 L CA -0.655 54.286 54.840 0.167 0.000 0.807 1120 L CB 0.717 42.881 42.059 0.175 0.000 1.226 1120 L HN 0.251 nan 8.230 nan 0.000 0.433 1121 D N 3.108 123.583 120.400 0.125 0.000 2.554 1121 D HA -0.090 4.550 4.640 0.000 0.000 0.251 1121 D C 1.057 177.444 176.300 0.145 0.000 1.213 1121 D CA 0.716 54.788 54.000 0.120 0.000 0.900 1121 D CB 0.653 41.508 40.800 0.092 0.000 1.135 1121 D HN 0.629 nan 8.370 nan 0.000 0.522 1122 E N 2.850 123.116 120.200 0.109 0.000 2.086 1122 E HA -0.274 4.076 4.350 0.000 0.000 0.205 1122 E C 0.945 177.594 176.600 0.082 0.000 1.027 1122 E CA 1.743 58.194 56.400 0.085 0.000 0.830 1122 E CB -0.038 29.699 29.700 0.062 0.000 0.751 1122 E HN 0.640 nan 8.360 nan 0.000 0.456 1123 D N -0.914 119.547 120.400 0.101 0.000 2.389 1123 D HA -0.130 4.510 4.640 0.000 0.000 0.221 1123 D C 1.095 177.491 176.300 0.160 0.000 0.974 1123 D CA 0.595 54.657 54.000 0.103 0.000 0.923 1123 D CB -0.154 40.719 40.800 0.120 0.000 0.892 1123 D HN 0.145 nan 8.370 nan 0.000 0.518 1124 F N -0.305 119.656 119.950 0.018 0.000 2.728 1124 F HA 0.258 4.785 4.527 -0.000 0.000 0.314 1124 F C 1.646 177.431 175.800 -0.025 0.000 1.094 1124 F CA -0.293 57.753 58.000 0.077 0.000 1.217 1124 F CB 0.398 39.394 39.000 -0.007 0.000 1.056 1124 F HN -0.270 nan 8.300 nan 0.000 0.577 1125 R N 0.979 121.469 120.500 -0.017 0.000 2.120 1125 R HA -0.138 4.202 4.340 0.000 0.000 0.234 1125 R C 1.930 178.118 176.300 -0.186 0.000 1.123 1125 R CA 1.703 57.775 56.100 -0.046 0.000 0.975 1125 R CB -0.365 29.950 30.300 0.025 0.000 0.866 1125 R HN 0.365 nan 8.270 nan 0.000 0.446 1126 K N -0.372 119.813 120.400 -0.359 0.000 2.442 1126 K HA -0.116 4.204 4.320 0.000 0.000 0.198 1126 K C 0.892 177.209 176.600 -0.472 0.000 1.042 1126 K CA 1.269 57.338 56.287 -0.363 0.000 0.958 1126 K CB -0.107 32.171 32.500 -0.370 0.000 0.766 1126 K HN 0.279 nan 8.250 nan 0.000 0.474 1127 Y N 1.893 121.886 120.300 -0.510 0.000 2.523 1127 Y HA -0.008 4.542 4.550 0.000 0.000 0.279 1127 Y C 1.916 177.615 175.900 -0.335 0.000 1.139 1127 Y CA 0.688 58.385 58.100 -0.671 0.000 1.296 1127 Y CB 0.323 38.131 38.460 -1.087 0.000 1.045 1127 Y HN 0.225 nan 8.280 nan 0.000 0.538 1128 T N -2.092 112.420 114.554 -0.071 0.000 3.206 1128 T HA 0.502 4.852 4.350 0.000 0.000 0.253 1128 T C 0.622 175.568 174.700 0.410 0.000 1.042 1128 T CA -0.250 61.987 62.100 0.227 0.000 0.931 1128 T CB -0.493 68.493 68.868 0.197 0.000 1.029 1128 T HN 0.172 nan 8.240 nan 0.000 0.564 1129 A N 1.746 124.701 122.820 0.225 0.000 2.440 1129 A HA 0.623 4.943 4.320 0.000 0.000 0.251 1129 A C -0.104 177.632 177.584 0.253 0.000 1.089 1129 A CA -0.706 51.428 52.037 0.162 0.000 0.779 1129 A CB -0.241 18.794 19.000 0.057 0.000 1.022 1129 A HN 0.746 nan 8.150 nan 0.000 0.492 1130 F N -0.477 119.532 119.950 0.099 0.000 2.706 1130 F HA 0.891 5.418 4.527 -0.000 0.000 0.328 1130 F C -0.275 175.545 175.800 0.033 0.000 1.123 1130 F CA -0.871 57.158 58.000 0.050 0.000 0.978 1130 F CB 1.442 40.472 39.000 0.049 0.000 1.404 1130 F HN 0.356 nan 8.300 nan 0.000 0.497 1131 T N 1.887 116.561 114.554 0.199 0.000 2.916 1131 T HA 0.526 4.876 4.350 0.000 0.000 0.298 1131 T C -0.808 173.974 174.700 0.136 0.000 1.031 1131 T CA -0.427 61.705 62.100 0.053 0.000 0.993 1131 T CB 1.643 70.499 68.868 -0.020 0.000 1.045 1131 T HN 0.571 nan 8.240 nan 0.000 0.454 1132 I N 5.377 126.010 120.570 0.106 0.000 2.297 1132 I HA 0.290 4.460 4.170 0.000 0.000 0.291 1132 I C -1.866 174.255 176.117 0.006 0.000 1.033 1132 I CA -2.207 59.143 61.300 0.083 0.000 1.253 1132 I CB 1.397 39.478 38.000 0.135 0.000 1.396 1132 I HN 0.335 nan 8.210 nan 0.000 0.476 1133 P HA 0.232 nan 4.420 nan 0.000 0.289 1133 P C -0.748 176.531 177.300 -0.035 0.000 1.299 1133 P CA -0.352 62.729 63.100 -0.031 0.000 0.766 1133 P CB 0.965 32.646 31.700 -0.031 0.000 1.226 1134 S N -1.731 113.946 115.700 -0.038 0.000 2.569 1134 S HA 0.543 5.013 4.470 0.000 0.000 0.280 1134 S C -0.055 174.523 174.600 -0.036 0.000 1.111 1134 S CA -0.970 57.207 58.200 -0.038 0.000 0.887 1134 S CB 0.470 63.647 63.200 -0.039 0.000 1.095 1134 S HN 0.260 nan 8.310 nan 0.000 0.476 1135 I N 2.917 123.466 120.570 -0.036 0.000 2.668 1135 I HA 0.085 4.255 4.170 0.000 0.000 0.285 1135 I C 1.520 177.620 176.117 -0.027 0.000 1.168 1135 I CA 0.451 61.731 61.300 -0.032 0.000 1.424 1135 I CB -0.345 37.636 38.000 -0.032 0.000 1.377 1135 I HN 1.045 nan 8.210 nan 0.000 0.560 1136 N N 5.408 124.093 118.700 -0.024 0.000 2.741 1136 N HA -0.242 4.498 4.740 0.000 0.000 0.251 1136 N C -0.179 175.317 175.510 -0.024 0.000 1.112 1136 N CA 0.556 53.594 53.050 -0.021 0.000 0.750 1136 N CB -0.523 37.953 38.487 -0.018 0.000 1.119 1136 N HN 0.900 nan 8.380 nan 0.000 0.561 1137 N N -0.463 118.220 118.700 -0.028 0.000 2.727 1137 N HA -0.194 4.546 4.740 0.000 0.000 0.249 1137 N C 0.025 175.516 175.510 -0.031 0.000 1.048 1137 N CA 1.515 54.546 53.050 -0.032 0.000 0.714 1137 N CB -1.026 37.442 38.487 -0.031 0.000 0.959 1137 N HN 0.694 nan 8.380 nan 0.000 0.544 1138 E N -0.569 119.613 120.200 -0.030 0.000 2.371 1138 E HA -0.007 4.343 4.350 0.000 0.000 0.194 1138 E C 0.631 177.211 176.600 -0.033 0.000 1.012 1138 E CA 0.912 57.294 56.400 -0.029 0.000 0.860 1138 E CB 0.353 30.037 29.700 -0.026 0.000 0.811 1138 E HN 0.574 nan 8.360 nan 0.000 0.502 1139 T N -3.188 111.344 114.554 -0.038 0.000 2.912 1139 T HA 0.264 4.614 4.350 0.000 0.000 0.299 1139 T C -2.345 172.324 174.700 -0.051 0.000 1.052 1139 T CA -1.983 60.091 62.100 -0.044 0.000 0.996 1139 T CB 1.766 70.608 68.868 -0.044 0.000 1.070 1139 T HN -0.339 nan 8.240 nan 0.000 0.465 1140 P HA 0.032 nan 4.420 nan 0.000 0.219 1140 P C 0.809 178.064 177.300 -0.075 0.000 1.161 1140 P CA 2.362 65.421 63.100 -0.068 0.000 0.909 1140 P CB -0.470 31.184 31.700 -0.077 0.000 0.793 1141 G N -1.388 107.363 108.800 -0.082 0.000 3.187 1141 G HA2 -0.056 3.904 3.960 0.000 0.000 0.682 1141 G HA3 -0.056 3.904 3.960 0.000 0.000 0.682 1141 G C -0.744 174.080 174.900 -0.126 0.000 1.266 1141 G CA -0.886 44.164 45.100 -0.084 0.000 0.902 1141 G HN 0.147 nan 8.290 nan 0.000 0.589 1142 I N 3.436 123.929 120.570 -0.128 0.000 2.379 1142 I HA 0.288 4.458 4.170 0.000 0.000 0.290 1142 I C 1.004 176.895 176.117 -0.377 0.000 1.063 1142 I CA -0.379 60.774 61.300 -0.245 0.000 1.351 1142 I CB 0.535 38.437 38.000 -0.163 0.000 1.410 1142 I HN 0.236 nan 8.210 nan 0.000 0.505 1143 R N 6.287 126.478 120.500 -0.516 0.000 2.368 1143 R HA 0.580 4.920 4.340 0.000 0.000 0.302 1143 R C -1.192 174.610 176.300 -0.831 0.000 1.002 1143 R CA -0.680 55.105 56.100 -0.525 0.000 0.929 1143 R CB 1.612 31.708 30.300 -0.340 0.000 1.073 1143 R HN 0.473 nan 8.270 nan 0.000 0.464 1144 Y N -0.026 119.852 120.300 -0.703 0.000 2.638 1144 Y HA 0.271 4.821 4.550 -0.000 0.000 0.339 1144 Y C 0.020 175.544 175.900 -0.627 0.000 1.084 1144 Y CA -0.947 56.703 58.100 -0.751 0.000 1.068 1144 Y CB 2.344 40.167 38.460 -1.061 0.000 1.294 1144 Y HN 0.462 nan 8.280 nan 0.000 0.480 1145 Q N 0.015 119.742 119.800 -0.122 0.000 2.379 1145 Q HA 0.496 4.836 4.340 0.000 0.000 0.278 1145 Q C -2.201 173.854 176.000 0.092 0.000 1.068 1145 Q CA -1.077 54.750 55.803 0.040 0.000 0.816 1145 Q CB 2.009 30.757 28.738 0.016 0.000 1.387 1145 Q HN 0.642 nan 8.270 nan 0.000 0.413 1146 Y N 1.920 122.344 120.300 0.206 0.000 2.359 1146 Y HA 0.135 4.685 4.550 0.000 0.000 0.330 1146 Y C 0.364 176.329 175.900 0.110 0.000 1.143 1146 Y CA 0.252 58.458 58.100 0.175 0.000 1.318 1146 Y CB 0.969 39.553 38.460 0.207 0.000 1.234 1146 Y HN 0.807 nan 8.280 nan 0.000 0.522 1147 N N 0.678 119.505 118.700 0.213 0.000 2.389 1147 N HA 0.341 5.081 4.740 0.000 0.000 0.260 1147 N C -1.421 174.212 175.510 0.206 0.000 1.191 1147 N CA -0.188 52.965 53.050 0.171 0.000 0.885 1147 N CB 0.377 38.925 38.487 0.102 0.000 1.162 1147 N HN 0.244 nan 8.380 nan 0.000 0.512 1148 V N -4.517 115.574 119.914 0.296 0.000 3.242 1148 V HA 0.437 4.557 4.120 0.000 0.000 0.298 1148 V C -0.338 175.967 176.094 0.352 0.000 1.352 1148 V CA -1.601 60.889 62.300 0.317 0.000 1.052 1148 V CB 1.219 33.253 31.823 0.352 0.000 1.101 1148 V HN -0.009 nan 8.190 nan 0.000 0.446 1149 L N 3.610 125.023 121.223 0.318 0.000 2.771 1149 L HA 0.182 4.522 4.340 0.000 0.000 0.278 1149 L C -1.901 175.103 176.870 0.222 0.000 1.175 1149 L CA -0.444 54.541 54.840 0.240 0.000 0.973 1149 L CB -0.100 42.075 42.059 0.194 0.000 1.286 1149 L HN 0.554 nan 8.230 nan 0.000 0.481 1150 P HA 0.090 nan 4.420 nan 0.000 0.277 1150 P C -0.277 176.997 177.300 -0.042 0.000 1.240 1150 P CA -0.506 62.467 63.100 -0.212 0.000 0.798 1150 P CB 0.967 32.247 31.700 -0.700 0.000 0.979 1151 Q N 1.390 121.259 119.800 0.114 0.000 2.172 1151 Q HA -0.025 4.315 4.340 0.000 0.000 0.200 1151 Q C 1.769 177.848 176.000 0.133 0.000 0.964 1151 Q CA 1.726 57.622 55.803 0.156 0.000 0.855 1151 Q CB -0.429 28.420 28.738 0.184 0.000 0.918 1151 Q HN 0.670 nan 8.270 nan 0.000 0.444 1152 G N -0.602 108.343 108.800 0.242 0.000 3.434 1152 G HA2 0.048 4.008 3.960 0.000 0.000 0.258 1152 G HA3 0.048 4.008 3.960 0.000 0.000 0.258 1152 G C -0.919 174.145 174.900 0.275 0.000 1.128 1152 G CA -0.505 44.787 45.100 0.320 0.000 0.792 1152 G HN 0.161 nan 8.290 nan 0.000 0.539 1153 W N 1.518 122.654 121.300 -0.274 0.000 2.329 1153 W HA 0.508 5.168 4.660 -0.000 0.000 0.312 1153 W C 0.867 177.125 176.519 -0.435 0.000 1.054 1153 W CA -1.737 55.316 57.345 -0.487 0.000 1.245 1153 W CB 1.052 30.030 29.460 -0.802 0.000 1.255 1153 W HN -0.045 nan 8.180 nan 0.000 0.436 1154 K N 2.972 122.863 120.400 -0.849 0.000 2.442 1154 K HA -0.141 4.179 4.320 0.000 0.000 0.200 1154 K C 1.977 177.916 176.600 -1.102 0.000 1.045 1154 K CA 1.394 57.042 56.287 -1.063 0.000 0.937 1154 K CB -0.078 31.403 32.500 -1.698 0.000 0.757 1154 K HN 0.755 nan 8.250 nan 0.000 0.474 1155 G N 0.197 107.806 108.800 -1.985 0.000 2.448 1155 G HA2 -0.180 3.780 3.960 0.000 0.000 0.218 1155 G HA3 -0.180 3.780 3.960 0.000 0.000 0.218 1155 G C 1.415 175.637 174.900 -1.130 0.000 1.135 1155 G CA 0.431 44.315 45.100 -2.027 0.000 0.784 1155 G HN 0.166 nan 8.290 nan 0.000 0.543 1156 S N 1.711 116.845 115.700 -0.944 0.000 2.343 1156 S HA -0.061 4.409 4.470 0.000 0.000 0.219 1156 S C 0.102 174.398 174.600 -0.507 0.000 1.033 1156 S CA 1.482 59.262 58.200 -0.700 0.000 1.014 1156 S CB -0.870 61.587 63.200 -1.237 0.000 0.915 1156 S HN 0.278 nan 8.310 nan 0.000 0.435 1157 P HA -0.040 nan 4.420 nan 0.000 0.215 1157 P C 1.469 178.754 177.300 -0.025 0.000 1.153 1157 P CA 1.492 64.578 63.100 -0.024 0.000 0.853 1157 P CB -0.180 31.471 31.700 -0.080 0.000 0.788 1158 A N -0.307 122.420 122.820 -0.156 0.000 1.859 1158 A HA -0.235 4.085 4.320 0.000 0.000 0.217 1158 A C 2.250 179.775 177.584 -0.098 0.000 1.198 1158 A CA 1.993 53.945 52.037 -0.142 0.000 0.629 1158 A CB -1.756 17.116 19.000 -0.212 0.000 0.830 1158 A HN 0.128 nan 8.150 nan 0.000 0.446 1159 I N -2.594 117.946 120.570 -0.050 0.000 2.315 1159 I HA -0.133 4.037 4.170 0.000 0.000 0.248 1159 I C 1.002 177.175 176.117 0.092 0.000 1.117 1159 I CA 0.750 62.078 61.300 0.047 0.000 1.404 1159 I CB -0.050 38.032 38.000 0.136 0.000 1.071 1159 I HN 0.340 nan 8.210 nan 0.000 0.419 1160 F N 1.834 121.784 119.950 0.000 0.000 2.573 1160 F HA 0.179 4.706 4.527 -0.000 0.000 0.349 1160 F C 1.208 177.016 175.800 0.014 0.000 1.213 1160 F CA 0.066 58.104 58.000 0.064 0.000 1.300 1160 F CB -0.185 38.968 39.000 0.254 0.000 1.661 1160 F HN 0.011 nan 8.300 nan 0.000 0.616 1161 Q N 0.279 120.009 119.800 -0.116 0.000 2.534 1161 Q HA 0.006 4.346 4.340 0.000 0.000 0.252 1161 Q C 2.070 177.938 176.000 -0.221 0.000 0.850 1161 Q CA 0.417 56.153 55.803 -0.113 0.000 0.974 1161 Q CB 0.485 29.185 28.738 -0.064 0.000 1.205 1161 Q HN 0.430 nan 8.270 nan 0.000 0.593 1162 S N 1.353 116.909 115.700 -0.241 0.000 2.359 1162 S HA -0.154 4.316 4.470 0.000 0.000 0.224 1162 S C 2.088 176.479 174.600 -0.348 0.000 1.035 1162 S CA 1.683 59.744 58.200 -0.233 0.000 1.018 1162 S CB -0.239 62.856 63.200 -0.175 0.000 0.876 1162 S HN 0.219 nan 8.310 nan 0.000 0.448 1163 S N 1.539 116.891 115.700 -0.580 0.000 2.356 1163 S HA -0.091 4.379 4.470 0.000 0.000 0.223 1163 S C 1.926 176.107 174.600 -0.697 0.000 1.032 1163 S CA 1.499 59.245 58.200 -0.756 0.000 1.005 1163 S CB -0.414 62.046 63.200 -1.232 0.000 0.867 1163 S HN 0.360 nan 8.310 nan 0.000 0.449 1164 M N 1.978 121.195 119.600 -0.639 0.000 2.108 1164 M HA -0.094 4.386 4.480 0.000 0.000 0.261 1164 M C 2.007 178.173 176.300 -0.222 0.000 1.066 1164 M CA 1.675 56.829 55.300 -0.244 0.000 1.107 1164 M CB -1.316 31.284 32.600 0.000 0.000 1.356 1164 M HN 0.195 nan 8.290 nan 0.000 0.406 1165 T N 0.130 114.559 114.554 -0.208 0.000 2.821 1165 T HA -0.134 4.216 4.350 0.000 0.000 0.267 1165 T C 1.856 176.459 174.700 -0.162 0.000 1.046 1165 T CA 1.445 63.460 62.100 -0.142 0.000 1.139 1165 T CB -0.187 68.616 68.868 -0.108 0.000 0.871 1165 T HN 0.417 nan 8.240 nan 0.000 0.454 1166 K N 0.753 121.014 120.400 -0.232 0.000 2.025 1166 K HA -0.017 4.303 4.320 0.000 0.000 0.207 1166 K C 2.235 178.660 176.600 -0.292 0.000 1.049 1166 K CA 1.128 57.286 56.287 -0.214 0.000 0.933 1166 K CB -0.308 32.058 32.500 -0.224 0.000 0.714 1166 K HN 0.313 nan 8.250 nan 0.000 0.438 1167 I N 1.320 121.552 120.570 -0.564 0.000 2.208 1167 I HA -0.323 3.847 4.170 0.000 0.000 0.245 1167 I C 2.122 178.124 176.117 -0.191 0.000 1.097 1167 I CA 1.277 62.197 61.300 -0.633 0.000 1.363 1167 I CB -0.166 37.425 38.000 -0.682 0.000 1.051 1167 I HN 0.172 nan 8.210 nan 0.000 0.413 1168 L N -0.301 120.830 121.223 -0.154 0.000 2.270 1168 L HA -0.078 4.262 4.340 0.000 0.000 0.210 1168 L C 2.545 179.409 176.870 -0.011 0.000 1.104 1168 L CA 0.337 55.138 54.840 -0.064 0.000 0.804 1168 L CB -0.660 41.376 42.059 -0.038 0.000 0.937 1168 L HN 0.253 nan 8.230 nan 0.000 0.450 1169 E N 1.474 121.657 120.200 -0.028 0.000 2.119 1169 E HA -0.267 4.083 4.350 0.000 0.000 0.221 1169 E C -0.448 176.163 176.600 0.018 0.000 1.062 1169 E CA 2.608 59.007 56.400 -0.002 0.000 0.894 1169 E CB -1.331 28.369 29.700 -0.000 0.000 0.785 1169 E HN 0.265 nan 8.360 nan 0.000 0.472 1170 P HA -0.129 nan 4.420 nan 0.000 0.213 1170 P C 1.637 178.945 177.300 0.013 0.000 1.170 1170 P CA 1.471 64.611 63.100 0.066 0.000 0.898 1170 P CB -0.498 31.305 31.700 0.171 0.000 0.787 1171 F N 1.483 121.281 119.950 -0.253 0.000 2.065 1171 F HA -0.271 4.256 4.527 0.000 0.000 0.298 1171 F C 1.928 177.651 175.800 -0.129 0.000 1.112 1171 F CA 1.851 59.666 58.000 -0.309 0.000 1.212 1171 F CB -0.568 38.111 39.000 -0.534 0.000 0.975 1171 F HN -0.252 nan 8.300 nan 0.000 0.476 1172 K N 0.617 121.005 120.400 -0.021 0.000 2.001 1172 K HA -0.290 4.030 4.320 0.000 0.000 0.214 1172 K C 2.135 178.656 176.600 -0.132 0.000 1.050 1172 K CA 2.009 58.253 56.287 -0.071 0.000 0.934 1172 K CB -0.918 31.590 32.500 0.013 0.000 0.718 1172 K HN 0.333 nan 8.250 nan 0.000 0.443 1173 K N 1.486 121.839 120.400 -0.078 0.000 2.089 1173 K HA -0.231 4.089 4.320 0.000 0.000 0.210 1173 K C 2.033 178.577 176.600 -0.095 0.000 1.048 1173 K CA 1.797 58.046 56.287 -0.064 0.000 0.926 1173 K CB -0.014 32.470 32.500 -0.027 0.000 0.714 1173 K HN 0.223 nan 8.250 nan 0.000 0.448 1174 Q N -0.384 119.335 119.800 -0.136 0.000 2.472 1174 Q HA 0.028 4.368 4.340 0.000 0.000 0.208 1174 Q C -0.187 175.680 176.000 -0.222 0.000 0.958 1174 Q CA 0.458 56.174 55.803 -0.145 0.000 0.932 1174 Q CB 0.355 29.024 28.738 -0.115 0.000 1.007 1174 Q HN 0.282 nan 8.270 nan 0.000 0.508 1175 N N 0.279 118.797 118.700 -0.303 0.000 2.687 1175 N HA 0.106 4.846 4.740 0.000 0.000 0.275 1175 N C -2.411 172.981 175.510 -0.197 0.000 1.789 1175 N CA -0.679 52.182 53.050 -0.315 0.000 0.806 1175 N CB 1.232 39.352 38.487 -0.612 0.000 1.256 1175 N HN 0.062 nan 8.380 nan 0.000 0.500 1176 P HA -0.007 nan 4.420 nan 0.000 0.231 1176 P C 0.072 177.342 177.300 -0.049 0.000 1.158 1176 P CA 1.020 64.077 63.100 -0.072 0.000 0.763 1176 P CB 0.460 32.127 31.700 -0.054 0.000 0.805 1177 D N -0.821 119.549 120.400 -0.051 0.000 2.363 1177 D HA 0.130 4.770 4.640 0.000 0.000 0.214 1177 D C 0.661 176.957 176.300 -0.007 0.000 1.093 1177 D CA 0.020 54.004 54.000 -0.026 0.000 0.837 1177 D CB 0.385 41.171 40.800 -0.023 0.000 0.948 1177 D HN 0.185 nan 8.370 nan 0.000 0.507 1178 I N 1.796 122.362 120.570 -0.006 0.000 2.342 1178 I HA 0.137 4.307 4.170 0.000 0.000 0.291 1178 I C 0.296 176.453 176.117 0.067 0.000 1.010 1178 I CA -0.508 60.825 61.300 0.054 0.000 1.308 1178 I CB 1.512 39.571 38.000 0.098 0.000 1.400 1178 I HN -0.350 nan 8.210 nan 0.000 0.488 1179 V N 8.082 128.037 119.914 0.068 0.000 2.406 1179 V HA 0.338 4.458 4.120 0.000 0.000 0.272 1179 V C 0.358 176.517 176.094 0.109 0.000 1.043 1179 V CA -0.302 62.033 62.300 0.058 0.000 0.915 1179 V CB 1.416 33.243 31.823 0.007 0.000 0.988 1179 V HN 0.433 nan 8.190 nan 0.000 0.466 1180 I N 6.017 126.660 120.570 0.121 0.000 2.382 1180 I HA 0.386 4.556 4.170 0.000 0.000 0.286 1180 I C -1.069 175.166 176.117 0.197 0.000 1.002 1180 I CA -0.661 60.728 61.300 0.149 0.000 1.135 1180 I CB 1.402 39.474 38.000 0.119 0.000 1.288 1180 I HN 0.568 nan 8.210 nan 0.000 0.448 1181 Y N 6.482 126.838 120.300 0.094 0.000 2.429 1181 Y HA 0.451 5.001 4.550 0.000 0.000 0.342 1181 Y C -0.570 175.454 175.900 0.207 0.000 1.004 1181 Y CA -0.840 57.321 58.100 0.101 0.000 1.075 1181 Y CB 1.672 40.147 38.460 0.025 0.000 1.214 1181 Y HN 0.542 nan 8.280 nan 0.000 0.455 1182 Q N 5.439 124.970 119.800 -0.448 0.000 2.331 1182 Q HA 0.381 4.721 4.340 0.000 0.000 0.267 1182 Q C -2.368 173.296 176.000 -0.561 0.000 1.006 1182 Q CA -0.851 54.752 55.803 -0.334 0.000 0.818 1182 Q CB 1.368 30.040 28.738 -0.110 0.000 1.276 1182 Q HN 0.770 nan 8.270 nan 0.000 0.450 1183 Y N 5.591 125.690 120.300 -0.334 0.000 2.317 1183 Y HA 0.352 4.902 4.550 -0.000 0.000 0.325 1183 Y C -1.101 174.831 175.900 0.054 0.000 1.066 1183 Y CA -0.692 57.308 58.100 -0.168 0.000 1.203 1183 Y CB 1.014 39.413 38.460 -0.102 0.000 1.127 1183 Y HN 0.839 nan 8.280 nan 0.000 0.451 1184 M N 6.365 125.718 119.600 -0.413 0.000 4.043 1184 M HA -0.333 4.147 4.480 0.000 0.000 0.157 1184 M C 0.132 176.470 176.300 0.062 0.000 1.532 1184 M CA 1.605 56.773 55.300 -0.220 0.000 1.096 1184 M CB -0.282 32.136 32.600 -0.303 0.000 1.346 1184 M HN 0.911 nan 8.290 nan 0.000 0.194 1185 D N -0.632 119.849 120.400 0.135 0.000 2.808 1185 D HA -0.182 4.458 4.640 0.000 0.000 0.195 1185 D C -0.225 176.067 176.300 -0.013 0.000 1.057 1185 D CA 2.303 56.362 54.000 0.099 0.000 1.026 1185 D CB -0.514 40.350 40.800 0.106 0.000 1.115 1185 D HN 0.738 nan 8.370 nan 0.000 0.421 1186 D N -0.345 120.079 120.400 0.039 0.000 2.457 1186 D HA 0.503 5.143 4.640 0.000 0.000 0.240 1186 D C 0.209 176.490 176.300 -0.031 0.000 1.041 1186 D CA -0.475 53.510 54.000 -0.026 0.000 0.861 1186 D CB 1.606 42.410 40.800 0.007 0.000 1.394 1186 D HN -0.023 nan 8.370 nan 0.000 0.473 1187 L N 1.866 123.016 121.223 -0.121 0.000 2.307 1187 L HA 0.348 4.688 4.340 0.000 0.000 0.284 1187 L C -0.936 175.857 176.870 -0.128 0.000 1.023 1187 L CA -0.824 53.981 54.840 -0.058 0.000 0.810 1187 L CB 1.034 43.050 42.059 -0.073 0.000 1.231 1187 L HN 0.278 nan 8.230 nan 0.000 0.423 1188 Y N 3.034 123.357 120.300 0.039 0.000 2.385 1188 Y HA 0.389 4.939 4.550 0.000 0.000 0.341 1188 Y C 0.037 175.988 175.900 0.084 0.000 0.965 1188 Y CA -0.575 57.572 58.100 0.078 0.000 1.180 1188 Y CB 1.855 40.420 38.460 0.174 0.000 1.139 1188 Y HN 0.228 nan 8.280 nan 0.000 0.502 1189 V N 4.385 124.394 119.914 0.158 0.000 2.376 1189 V HA 0.909 5.029 4.120 0.000 0.000 0.287 1189 V C -0.328 175.892 176.094 0.210 0.000 1.015 1189 V CA -0.128 62.267 62.300 0.159 0.000 0.834 1189 V CB 0.806 32.687 31.823 0.097 0.000 1.001 1189 V HN 0.779 nan 8.190 nan 0.000 0.428 1190 G N 4.455 113.359 108.800 0.172 0.000 2.498 1190 G HA2 0.810 4.770 3.960 0.000 0.000 0.312 1190 G HA3 0.810 4.770 3.960 0.000 0.000 0.312 1190 G C -0.664 174.303 174.900 0.112 0.000 1.230 1190 G CA -0.073 45.096 45.100 0.116 0.000 0.968 1190 G HN 1.496 nan 8.290 nan 0.000 0.481 1191 S N -0.896 114.833 115.700 0.048 0.000 2.625 1191 S HA 0.472 4.942 4.470 0.000 0.000 0.271 1191 S C -0.946 173.646 174.600 -0.014 0.000 1.161 1191 S CA -0.743 57.497 58.200 0.066 0.000 0.820 1191 S CB 2.196 65.516 63.200 0.201 0.000 1.137 1191 S HN 0.311 nan 8.310 nan 0.000 0.470 1192 D N 0.724 121.126 120.400 0.004 0.000 2.368 1192 D HA 0.309 4.949 4.640 0.000 0.000 0.218 1192 D C 0.270 176.574 176.300 0.007 0.000 1.112 1192 D CA 0.057 54.049 54.000 -0.014 0.000 0.834 1192 D CB -0.011 40.780 40.800 -0.016 0.000 0.953 1192 D HN 0.432 nan 8.370 nan 0.000 0.505 1193 L N 1.067 122.315 121.223 0.042 0.000 2.464 1193 L HA 0.119 4.459 4.340 0.000 0.000 0.264 1193 L C 1.118 178.024 176.870 0.060 0.000 1.199 1193 L CA -0.223 54.656 54.840 0.064 0.000 0.818 1193 L CB 0.656 42.781 42.059 0.110 0.000 1.102 1193 L HN -0.201 nan 8.230 nan 0.000 0.473 1194 E N 1.030 121.263 120.200 0.055 0.000 2.398 1194 E HA 0.005 4.355 4.350 0.000 0.000 0.263 1194 E C 0.893 177.544 176.600 0.084 0.000 1.046 1194 E CA -0.517 55.913 56.400 0.050 0.000 0.908 1194 E CB 0.841 30.563 29.700 0.035 0.000 0.963 1194 E HN 0.334 nan 8.360 nan 0.000 0.431 1195 I N 2.525 123.141 120.570 0.077 0.000 3.187 1195 I HA -0.410 3.760 4.170 0.000 0.000 0.193 1195 I C 2.296 178.493 176.117 0.134 0.000 0.840 1195 I CA 2.440 63.806 61.300 0.110 0.000 1.121 1195 I CB -1.689 36.356 38.000 0.076 0.000 0.859 1195 I HN 0.841 nan 8.210 nan 0.000 0.334 1196 G N -1.011 107.843 108.800 0.091 0.000 2.440 1196 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 1196 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 1196 G C 1.506 176.456 174.900 0.083 0.000 1.154 1196 G CA 1.078 46.225 45.100 0.078 0.000 0.767 1196 G HN 0.622 nan 8.290 nan 0.000 0.552 1197 Q N -0.656 119.197 119.800 0.088 0.000 2.061 1197 Q HA -0.163 4.177 4.340 0.000 0.000 0.204 1197 Q C 2.271 178.338 176.000 0.111 0.000 0.984 1197 Q CA 1.575 57.429 55.803 0.085 0.000 0.846 1197 Q CB -0.358 28.425 28.738 0.076 0.000 0.902 1197 Q HN 0.733 nan 8.270 nan 0.000 0.421 1198 H N 1.018 120.122 119.070 0.056 0.000 2.319 1198 H HA -0.082 4.474 4.556 0.000 0.000 0.297 1198 H C 1.909 177.281 175.328 0.072 0.000 1.097 1198 H CA 1.853 57.941 56.048 0.066 0.000 1.285 1198 H CB 0.156 29.956 29.762 0.064 0.000 1.368 1198 H HN 0.051 nan 8.280 nan 0.000 0.495 1199 R N -0.796 119.706 120.500 0.003 0.000 2.120 1199 R HA -0.076 4.264 4.340 0.000 0.000 0.234 1199 R C 2.129 178.401 176.300 -0.047 0.000 1.123 1199 R CA 1.571 57.639 56.100 -0.054 0.000 0.975 1199 R CB -0.235 30.092 30.300 0.045 0.000 0.866 1199 R HN 0.407 nan 8.270 nan 0.000 0.446 1200 T N 0.880 115.433 114.554 -0.001 0.000 2.857 1200 T HA -0.060 4.290 4.350 0.000 0.000 0.266 1200 T C 1.622 176.346 174.700 0.040 0.000 1.048 1200 T CA 1.057 63.170 62.100 0.021 0.000 1.139 1200 T CB 0.007 68.898 68.868 0.038 0.000 0.874 1200 T HN 0.028 nan 8.240 nan 0.000 0.455 1201 K N 0.776 121.198 120.400 0.038 0.000 2.148 1201 K HA 0.117 4.437 4.320 0.000 0.000 0.204 1201 K C 1.932 178.595 176.600 0.106 0.000 1.050 1201 K CA 0.528 56.898 56.287 0.139 0.000 0.942 1201 K CB -0.340 32.251 32.500 0.152 0.000 0.724 1201 K HN 0.214 nan 8.250 nan 0.000 0.446 1202 I N 0.621 121.138 120.570 -0.087 0.000 2.233 1202 I HA -0.166 4.004 4.170 0.000 0.000 0.243 1202 I C 2.119 178.187 176.117 -0.081 0.000 1.093 1202 I CA 1.268 62.485 61.300 -0.139 0.000 1.380 1202 I CB -0.979 36.895 38.000 -0.211 0.000 1.067 1202 I HN 0.202 nan 8.210 nan 0.000 0.413 1203 E N 1.434 121.611 120.200 -0.040 0.000 2.077 1203 E HA -0.268 4.082 4.350 0.000 0.000 0.193 1203 E C 2.116 178.725 176.600 0.016 0.000 0.989 1203 E CA 1.557 57.949 56.400 -0.014 0.000 0.800 1203 E CB -0.301 29.397 29.700 -0.002 0.000 0.746 1203 E HN 0.484 nan 8.360 nan 0.000 0.452 1204 E N -0.728 119.514 120.200 0.069 0.000 2.338 1204 E HA -0.150 4.200 4.350 0.000 0.000 0.197 1204 E C 1.772 178.502 176.600 0.218 0.000 1.007 1204 E CA 0.757 57.248 56.400 0.153 0.000 0.849 1204 E CB -0.040 29.801 29.700 0.235 0.000 0.774 1204 E HN 0.323 nan 8.360 nan 0.000 0.506 1205 L N 0.561 121.789 121.223 0.008 0.000 2.168 1205 L HA 0.070 4.410 4.340 0.000 0.000 0.203 1205 L C 2.072 178.876 176.870 -0.109 0.000 1.078 1205 L CA 1.087 55.742 54.840 -0.307 0.000 0.780 1205 L CB -0.324 41.200 42.059 -0.892 0.000 0.939 1205 L HN -0.095 nan 8.230 nan 0.000 0.451 1206 R N 0.176 120.623 120.500 -0.089 0.000 2.154 1206 R HA -0.162 4.178 4.340 0.000 0.000 0.248 1206 R C 2.102 178.400 176.300 -0.003 0.000 1.155 1206 R CA 1.332 57.401 56.100 -0.050 0.000 0.979 1206 R CB -0.721 29.552 30.300 -0.045 0.000 0.869 1206 R HN 0.582 nan 8.270 nan 0.000 0.452 1207 Q N -0.691 119.111 119.800 0.004 0.000 2.119 1207 Q HA -0.118 4.222 4.340 0.000 0.000 0.201 1207 Q C 1.990 177.983 176.000 -0.011 0.000 0.972 1207 Q CA 1.233 57.023 55.803 -0.021 0.000 0.847 1207 Q CB -0.320 28.381 28.738 -0.061 0.000 0.903 1207 Q HN 0.583 nan 8.270 nan 0.000 0.433 1208 H N 0.729 119.822 119.070 0.038 0.000 2.290 1208 H HA -0.086 4.470 4.556 0.000 0.000 0.298 1208 H C 2.234 177.678 175.328 0.193 0.000 1.087 1208 H CA 1.549 57.670 56.048 0.122 0.000 1.291 1208 H CB -0.184 29.630 29.762 0.087 0.000 1.369 1208 H HN 0.079 nan 8.280 nan 0.000 0.492 1209 L N -0.392 120.966 121.223 0.225 0.000 2.042 1209 L HA -0.197 4.143 4.340 0.000 0.000 0.210 1209 L C 2.320 179.301 176.870 0.185 0.000 1.076 1209 L CA 0.514 55.463 54.840 0.182 0.000 0.749 1209 L CB -0.430 41.655 42.059 0.044 0.000 0.893 1209 L HN 0.252 nan 8.230 nan 0.000 0.432 1210 L N 0.374 121.658 121.223 0.101 0.000 2.034 1210 L HA -0.244 4.096 4.340 0.000 0.000 0.217 1210 L C 2.315 179.220 176.870 0.058 0.000 1.077 1210 L CA 1.848 56.722 54.840 0.056 0.000 0.769 1210 L CB -0.607 41.459 42.059 0.012 0.000 0.890 1210 L HN 0.110 nan 8.230 nan 0.000 0.435 1211 R N -1.253 119.276 120.500 0.048 0.000 2.343 1211 R HA -0.009 4.331 4.340 0.000 0.000 0.202 1211 R C -0.323 175.850 176.300 -0.212 0.000 1.023 1211 R CA 0.163 56.191 56.100 -0.119 0.000 1.084 1211 R CB -0.381 29.772 30.300 -0.244 0.000 0.956 1211 R HN 0.366 nan 8.270 nan 0.000 0.478 1231 G N 0.831 109.662 108.800 0.052 0.000 3.288 1231 G HA2 -0.080 3.880 3.960 0.000 0.000 0.195 1231 G HA3 -0.080 3.880 3.960 0.000 0.000 0.195 1231 G C -1.503 173.465 174.900 0.113 0.000 1.093 1231 G CA 0.290 45.424 45.100 0.056 0.000 0.852 1231 G HN 0.978 nan 8.290 nan 0.000 0.453 1232 Y N 2.415 122.710 120.300 -0.009 0.000 2.323 1232 Y HA 0.499 5.049 4.550 0.000 0.000 0.333 1232 Y C -1.261 174.638 175.900 -0.002 0.000 1.173 1232 Y CA -1.391 56.705 58.100 -0.007 0.000 1.342 1232 Y CB 0.948 39.390 38.460 -0.030 0.000 1.168 1232 Y HN 0.056 nan 8.280 nan 0.000 0.464 1233 E N 5.576 125.899 120.200 0.205 0.000 1.996 1233 E HA 0.211 4.561 4.350 0.000 0.000 0.280 1233 E C -1.004 175.580 176.600 -0.027 0.000 1.092 1233 E CA -0.451 55.988 56.400 0.066 0.000 0.862 1233 E CB 1.444 31.189 29.700 0.075 0.000 1.066 1233 E HN 0.437 nan 8.360 nan 0.000 0.396 1234 L N 3.286 124.449 121.223 -0.100 0.000 2.334 1234 L HA 0.266 4.606 4.340 0.000 0.000 0.275 1234 L C -0.119 176.441 176.870 -0.517 0.000 1.036 1234 L CA -0.553 54.250 54.840 -0.062 0.000 0.807 1234 L CB 0.827 42.969 42.059 0.138 0.000 1.231 1234 L HN 0.399 nan 8.230 nan 0.000 0.438 1235 H N 4.833 123.867 119.070 -0.061 0.000 2.380 1235 H HA 0.254 4.810 4.556 0.000 0.000 0.231 1235 H C -2.044 172.760 175.328 -0.874 0.000 1.415 1235 H CA -1.235 54.634 56.048 -0.299 0.000 1.433 1235 H CB 0.958 30.646 29.762 -0.124 0.000 1.544 1235 H HN 0.453 nan 8.280 nan 0.000 0.503 1236 P HA -0.160 nan 4.420 nan 0.000 0.214 1236 P C 1.383 178.075 177.300 -1.015 0.000 1.162 1236 P CA 1.197 63.045 63.100 -2.087 0.000 0.874 1236 P CB 0.521 31.509 31.700 -1.186 0.000 0.784 1237 D N 0.451 120.543 120.400 -0.513 0.000 2.286 1237 D HA -0.218 4.422 4.640 0.000 0.000 0.195 1237 D C 0.942 177.132 176.300 -0.183 0.000 1.012 1237 D CA 1.636 55.483 54.000 -0.255 0.000 0.901 1237 D CB -0.539 40.158 40.800 -0.172 0.000 0.903 1237 D HN -0.002 nan 8.370 nan 0.000 0.451 1238 K N -0.190 120.063 120.400 -0.245 0.000 2.827 1238 K HA 0.168 4.488 4.320 0.000 0.000 0.222 1238 K C -1.130 175.545 176.600 0.125 0.000 1.114 1238 K CA -0.265 55.985 56.287 -0.063 0.000 1.206 1238 K CB -0.018 32.461 32.500 -0.035 0.000 1.035 1238 K HN 0.214 nan 8.250 nan 0.000 0.464 1239 W N -0.045 121.279 121.300 0.040 0.000 2.475 1239 W HA 0.448 5.108 4.660 0.000 0.000 0.317 1239 W C -0.082 176.457 176.519 0.033 0.000 1.046 1239 W CA -0.927 56.445 57.345 0.044 0.000 1.215 1239 W CB 1.378 30.862 29.460 0.039 0.000 1.335 1239 W HN -0.196 nan 8.180 nan 0.000 0.471 1240 T N 1.439 116.146 114.554 0.255 0.000 2.883 1240 T HA 0.381 4.731 4.350 0.000 0.000 0.296 1240 T C -0.073 174.693 174.700 0.111 0.000 1.117 1240 T CA -0.657 61.535 62.100 0.153 0.000 1.006 1240 T CB 2.070 71.008 68.868 0.116 0.000 1.191 1240 T HN 0.265 nan 8.240 nan 0.000 0.508 1241 V N 1.194 121.164 119.914 0.093 0.000 2.928 1241 V HA 0.280 4.400 4.120 0.000 0.000 0.307 1241 V C 0.249 176.376 176.094 0.055 0.000 1.105 1241 V CA -0.266 62.080 62.300 0.076 0.000 1.223 1241 V CB 0.259 32.140 31.823 0.097 0.000 0.930 1241 V HN 0.826 nan 8.190 nan 0.000 0.499 1242 Q N 5.427 125.246 119.800 0.031 0.000 2.566 1242 Q HA 0.457 4.797 4.340 0.000 0.000 0.221 1242 Q C -2.526 173.509 176.000 0.058 0.000 1.195 1242 Q CA -1.811 54.006 55.803 0.023 0.000 0.967 1242 Q CB 0.402 29.118 28.738 -0.036 0.000 1.337 1242 Q HN 0.779 nan 8.270 nan 0.000 0.553 1243 P HA 0.025 nan 4.420 nan 0.000 0.267 1243 P C -0.802 176.509 177.300 0.019 0.000 1.209 1243 P CA -0.190 62.926 63.100 0.028 0.000 0.763 1243 P CB 0.386 32.094 31.700 0.014 0.000 0.816 1244 I N 4.234 124.798 120.570 -0.010 0.000 2.578 1244 I HA -0.031 4.139 4.170 0.000 0.000 0.286 1244 I C 0.648 176.740 176.117 -0.043 0.000 1.126 1244 I CA 0.255 61.540 61.300 -0.025 0.000 1.380 1244 I CB -0.475 37.469 38.000 -0.094 0.000 1.408 1244 I HN 0.120 nan 8.210 nan 0.000 0.532 1245 V N 5.771 125.681 119.914 -0.007 0.000 2.617 1245 V HA 0.600 4.720 4.120 0.000 0.000 0.298 1245 V C -0.106 175.996 176.094 0.014 0.000 1.048 1245 V CA -0.938 61.362 62.300 -0.000 0.000 0.964 1245 V CB 1.683 33.512 31.823 0.010 0.000 1.004 1245 V HN 0.303 nan 8.190 nan 0.000 0.466 1246 L N 3.511 124.751 121.223 0.028 0.000 2.331 1246 L HA 0.634 4.974 4.340 0.000 0.000 0.275 1246 L C -2.114 174.809 176.870 0.089 0.000 1.022 1246 L CA -1.998 52.882 54.840 0.067 0.000 0.812 1246 L CB 0.807 42.913 42.059 0.077 0.000 1.257 1246 L HN 0.556 nan 8.230 nan 0.000 0.435 1247 P HA 0.103 nan 4.420 nan 0.000 0.266 1247 P C -0.120 177.225 177.300 0.076 0.000 1.195 1247 P CA -0.053 63.081 63.100 0.056 0.000 0.768 1247 P CB 1.218 32.939 31.700 0.035 0.000 0.838 1248 E N 1.217 121.390 120.200 -0.045 0.000 2.042 1248 E HA -0.037 4.313 4.350 0.000 0.000 0.189 1248 E C 0.710 177.096 176.600 -0.357 0.000 0.974 1248 E CA 0.504 56.869 56.400 -0.058 0.000 0.806 1248 E CB -0.359 29.308 29.700 -0.054 0.000 0.769 1248 E HN 0.357 nan 8.360 nan 0.000 0.451 1249 K N -0.419 119.686 120.400 -0.492 0.000 2.004 1249 K HA -0.230 4.090 4.320 0.000 0.000 0.330 1249 K C -0.435 175.809 176.600 -0.593 0.000 1.691 1249 K CA 1.963 57.781 56.287 -0.783 0.000 0.727 1249 K CB -0.732 30.740 32.500 -1.714 0.000 0.956 1249 K HN 0.432 nan 8.250 nan 0.000 0.826 1250 D N -4.241 115.798 120.400 -0.602 0.000 4.105 1250 D HA -0.010 4.630 4.640 0.000 0.000 0.275 1250 D C 0.232 176.507 176.300 -0.041 0.000 0.570 1250 D CA 0.893 54.789 54.000 -0.174 0.000 0.729 1250 D CB -1.144 39.593 40.800 -0.105 0.000 1.675 1250 D HN 0.412 nan 8.370 nan 0.000 0.154 1251 S N -2.136 113.503 115.700 -0.102 0.000 3.325 1251 S HA 0.283 4.753 4.470 0.000 0.000 0.254 1251 S C 0.120 174.843 174.600 0.205 0.000 1.084 1251 S CA 0.150 58.376 58.200 0.044 0.000 0.786 1251 S CB 0.402 63.589 63.200 -0.022 0.000 0.849 1251 S HN 0.288 nan 8.310 nan 0.000 0.483 1252 W N 2.444 123.743 121.300 -0.002 0.000 3.078 1252 W HA -0.118 4.542 4.660 0.000 0.000 0.454 1252 W C -0.174 176.344 176.519 -0.000 0.000 1.856 1252 W CA 0.980 58.324 57.345 -0.001 0.000 0.459 1252 W CB -1.691 27.769 29.460 -0.000 0.000 2.859 1252 W HN 0.698 nan 8.180 nan 0.000 0.416 1253 T N -1.153 113.550 114.554 0.249 0.000 2.888 1253 T HA 0.626 4.976 4.350 0.000 0.000 0.288 1253 T C 0.627 175.409 174.700 0.137 0.000 1.063 1253 T CA -0.358 61.828 62.100 0.144 0.000 1.010 1253 T CB 2.167 71.084 68.868 0.080 0.000 1.214 1253 T HN 0.199 nan 8.240 nan 0.000 0.533 1254 V N 1.610 121.575 119.914 0.086 0.000 2.219 1254 V HA -0.249 3.872 4.120 0.000 0.000 0.248 1254 V C 2.821 178.960 176.094 0.074 0.000 1.053 1254 V CA 2.625 64.965 62.300 0.066 0.000 1.009 1254 V CB -1.251 30.599 31.823 0.045 0.000 0.636 1254 V HN 1.049 nan 8.190 nan 0.000 0.445 1255 N N -0.238 118.501 118.700 0.065 0.000 2.049 1255 N HA -0.282 4.458 4.740 0.000 0.000 0.198 1255 N C 1.578 177.141 175.510 0.090 0.000 1.030 1255 N CA 1.997 55.084 53.050 0.062 0.000 0.870 1255 N CB -0.148 38.364 38.487 0.043 0.000 1.045 1255 N HN 0.533 nan 8.380 nan 0.000 0.434 1256 D N 0.740 121.213 120.400 0.122 0.000 2.092 1256 D HA -0.178 4.462 4.640 0.000 0.000 0.193 1256 D C 1.959 178.405 176.300 0.243 0.000 0.994 1256 D CA 0.880 54.994 54.000 0.191 0.000 0.828 1256 D CB -0.461 40.488 40.800 0.248 0.000 0.963 1256 D HN 0.407 nan 8.370 nan 0.000 0.450 1257 I N 0.936 121.635 120.570 0.215 0.000 2.394 1257 I HA -0.231 3.939 4.170 0.000 0.000 0.251 1257 I C 2.077 178.234 176.117 0.068 0.000 1.136 1257 I CA 1.338 62.693 61.300 0.092 0.000 1.425 1257 I CB -0.274 37.726 38.000 -0.001 0.000 1.079 1257 I HN -0.034 nan 8.210 nan 0.000 0.425 1258 Q N 0.405 120.251 119.800 0.077 0.000 2.020 1258 Q HA -0.204 4.136 4.340 0.000 0.000 0.202 1258 Q C 2.095 178.154 176.000 0.098 0.000 0.982 1258 Q CA 1.667 57.514 55.803 0.072 0.000 0.838 1258 Q CB -0.262 28.515 28.738 0.065 0.000 0.899 1258 Q HN 0.419 nan 8.270 nan 0.000 0.423 1259 K N 0.945 121.409 120.400 0.108 0.000 2.063 1259 K HA -0.129 4.191 4.320 0.000 0.000 0.208 1259 K C 2.075 178.766 176.600 0.152 0.000 1.048 1259 K CA 0.687 57.052 56.287 0.130 0.000 0.928 1259 K CB -0.843 31.715 32.500 0.098 0.000 0.713 1259 K HN 0.221 nan 8.250 nan 0.000 0.442 1260 L N 1.994 123.300 121.223 0.139 0.000 1.990 1260 L HA -0.175 4.165 4.340 0.000 0.000 0.213 1260 L C 2.347 179.262 176.870 0.075 0.000 1.072 1260 L CA 2.132 57.046 54.840 0.124 0.000 0.755 1260 L CB -0.853 41.282 42.059 0.127 0.000 0.889 1260 L HN 0.102 nan 8.230 nan 0.000 0.432 1261 V N -2.121 117.826 119.914 0.054 0.000 2.453 1261 V HA 0.005 4.125 4.120 0.000 0.000 0.247 1261 V C 2.559 178.685 176.094 0.054 0.000 1.048 1261 V CA 1.325 63.643 62.300 0.029 0.000 1.049 1261 V CB -1.873 29.961 31.823 0.017 0.000 0.672 1261 V HN 0.420 nan 8.190 nan 0.000 0.457 1262 G N 2.301 111.176 108.800 0.126 0.000 2.553 1262 G HA2 -0.369 3.591 3.960 0.000 0.000 0.218 1262 G HA3 -0.369 3.591 3.960 0.000 0.000 0.218 1262 G C 1.564 176.545 174.900 0.135 0.000 1.195 1262 G CA 1.682 46.917 45.100 0.226 0.000 0.779 1262 G HN 0.774 nan 8.290 nan 0.000 0.577 1263 K N 0.278 120.774 120.400 0.159 0.000 2.217 1263 K HA 0.194 4.514 4.320 0.000 0.000 0.202 1263 K C 2.441 178.888 176.600 -0.256 0.000 1.051 1263 K CA 0.772 56.878 56.287 -0.301 0.000 0.952 1263 K CB -0.400 32.214 32.500 0.190 0.000 0.736 1263 K HN 0.349 nan 8.250 nan 0.000 0.453 1264 L N 2.063 123.231 121.223 -0.091 0.000 2.131 1264 L HA -0.178 4.162 4.340 0.000 0.000 0.210 1264 L C 2.691 179.506 176.870 -0.093 0.000 1.092 1264 L CA 1.251 56.044 54.840 -0.078 0.000 0.759 1264 L CB -0.695 41.339 42.059 -0.042 0.000 0.903 1264 L HN 0.489 nan 8.230 nan 0.000 0.435 1265 N N -0.180 118.459 118.700 -0.101 0.000 2.039 1265 N HA -0.280 4.460 4.740 0.000 0.000 0.193 1265 N C 2.019 177.437 175.510 -0.154 0.000 1.044 1265 N CA 1.501 54.492 53.050 -0.099 0.000 0.847 1265 N CB -0.253 38.203 38.487 -0.051 0.000 1.030 1265 N HN 0.439 nan 8.380 nan 0.000 0.422 1266 W N 1.893 122.860 121.300 -0.554 0.000 2.338 1266 W HA -0.174 4.487 4.660 0.000 0.000 0.304 1266 W C 2.279 178.607 176.519 -0.318 0.000 1.212 1266 W CA 1.972 58.947 57.345 -0.616 0.000 1.264 1266 W CB -0.454 28.155 29.460 -1.418 0.000 1.142 1266 W HN 0.204 nan 8.180 nan 0.000 0.512 1267 A N -0.051 122.733 122.820 -0.060 0.000 1.978 1267 A HA -0.261 4.059 4.320 0.000 0.000 0.220 1267 A C 2.067 179.687 177.584 0.060 0.000 1.170 1267 A CA 2.281 54.344 52.037 0.043 0.000 0.636 1267 A CB -1.322 17.662 19.000 -0.027 0.000 0.810 1267 A HN 0.308 nan 8.150 nan 0.000 0.448 1268 S N -0.432 115.251 115.700 -0.028 0.000 2.392 1268 S HA -0.300 4.170 4.470 0.000 0.000 0.232 1268 S C 1.946 176.520 174.600 -0.044 0.000 1.041 1268 S CA 2.019 60.200 58.200 -0.032 0.000 1.026 1268 S CB -0.410 62.748 63.200 -0.069 0.000 0.845 1268 S HN 0.712 nan 8.310 nan 0.000 0.465 1269 Q N -0.495 119.246 119.800 -0.098 0.000 2.488 1269 Q HA 0.270 4.610 4.340 0.000 0.000 0.211 1269 Q C -0.097 175.885 176.000 -0.031 0.000 0.967 1269 Q CA 0.440 56.175 55.803 -0.112 0.000 0.926 1269 Q CB 0.092 28.703 28.738 -0.213 0.000 0.992 1269 Q HN 0.613 nan 8.270 nan 0.000 0.506 1270 I N -2.200 118.381 120.570 0.017 0.000 2.827 1270 I HA 0.193 4.363 4.170 0.000 0.000 0.298 1270 I C -1.681 174.482 176.117 0.077 0.000 1.235 1270 I CA -0.984 60.275 61.300 -0.068 0.000 1.021 1270 I CB 1.302 39.200 38.000 -0.170 0.000 1.259 1270 I HN 0.190 nan 8.210 nan 0.000 0.427 1271 Y N 3.693 124.001 120.300 0.014 0.000 2.965 1271 Y HA -0.105 4.445 4.550 0.000 0.000 0.095 1271 Y C -2.333 173.575 175.900 0.012 0.000 2.131 1271 Y CA -0.435 57.676 58.100 0.019 0.000 1.038 1271 Y CB -1.821 36.645 38.460 0.011 0.000 1.689 1271 Y HN 0.424 nan 8.280 nan 0.000 0.323 1272 P HA 0.273 nan 4.420 nan 0.000 0.262 1272 P C 1.074 178.416 177.300 0.070 0.000 1.199 1272 P CA 1.919 65.067 63.100 0.079 0.000 0.763 1272 P CB 0.795 32.552 31.700 0.096 0.000 0.790 1273 G N 2.823 111.649 108.800 0.043 0.000 2.624 1273 G HA2 -0.174 3.786 3.960 0.000 0.000 0.190 1273 G HA3 -0.174 3.786 3.960 0.000 0.000 0.190 1273 G C -0.003 174.904 174.900 0.011 0.000 1.008 1273 G CA -0.618 44.495 45.100 0.022 0.000 0.731 1273 G HN 0.423 nan 8.290 nan 0.000 0.478 1274 I N 1.712 122.294 120.570 0.021 0.000 2.906 1274 I HA 0.317 4.487 4.170 0.000 0.000 0.301 1274 I C 0.473 176.581 176.117 -0.016 0.000 1.221 1274 I CA 0.782 62.081 61.300 -0.001 0.000 1.435 1274 I CB 0.892 38.893 38.000 0.001 0.000 1.345 1274 I HN 0.123 nan 8.210 nan 0.000 0.558 1275 K N 5.426 125.811 120.400 -0.025 0.000 2.559 1275 K HA 0.388 4.708 4.320 0.000 0.000 0.249 1275 K C 0.030 176.608 176.600 -0.037 0.000 0.958 1275 K CA -0.353 55.916 56.287 -0.029 0.000 0.901 1275 K CB 1.489 33.973 32.500 -0.027 0.000 1.124 1275 K HN 0.324 nan 8.250 nan 0.000 0.437 1276 V N 5.193 125.085 119.914 -0.037 0.000 3.647 1276 V HA 0.128 4.248 4.120 0.000 0.000 0.279 1276 V C 1.808 177.879 176.094 -0.039 0.000 1.314 1276 V CA 0.690 62.966 62.300 -0.040 0.000 1.125 1276 V CB -0.380 31.422 31.823 -0.034 0.000 0.907 1276 V HN 0.783 nan 8.190 nan 0.000 0.434 1277 R N -0.210 120.269 120.500 -0.035 0.000 2.082 1277 R HA -0.183 4.157 4.340 0.000 0.000 0.234 1277 R C 2.272 178.550 176.300 -0.038 0.000 1.136 1277 R CA 2.244 58.325 56.100 -0.032 0.000 0.935 1277 R CB -0.166 30.117 30.300 -0.028 0.000 0.842 1277 R HN 0.481 nan 8.270 nan 0.000 0.430 1278 Q N 0.330 120.103 119.800 -0.044 0.000 2.096 1278 Q HA -0.171 4.169 4.340 0.000 0.000 0.204 1278 Q C 2.178 178.139 176.000 -0.065 0.000 0.982 1278 Q CA 1.018 56.790 55.803 -0.052 0.000 0.850 1278 Q CB -0.369 28.335 28.738 -0.056 0.000 0.901 1278 Q HN 0.327 nan 8.270 nan 0.000 0.422 1279 L N 0.291 121.468 121.223 -0.077 0.000 1.970 1279 L HA -0.180 4.160 4.340 0.000 0.000 0.212 1279 L C 2.523 179.353 176.870 -0.066 0.000 1.071 1279 L CA 1.398 56.182 54.840 -0.094 0.000 0.751 1279 L CB -1.552 40.446 42.059 -0.101 0.000 0.889 1279 L HN 0.343 nan 8.230 nan 0.000 0.432 1280 C N 0.088 119.361 119.300 -0.046 0.000 2.413 1280 C HA -0.140 4.320 4.460 0.000 0.000 0.292 1280 C C 2.167 177.142 174.990 -0.026 0.000 1.435 1280 C CA 0.496 59.497 59.018 -0.028 0.000 1.791 1280 C CB -1.100 26.628 27.740 -0.020 0.000 1.784 1280 C HN 0.306 nan 8.230 nan 0.000 0.548 1281 K N -0.493 119.887 120.400 -0.033 0.000 2.493 1281 K HA 0.236 4.556 4.320 0.000 0.000 0.207 1281 K C -0.177 176.405 176.600 -0.030 0.000 1.033 1281 K CA -0.218 56.052 56.287 -0.028 0.000 1.161 1281 K CB 0.302 32.785 32.500 -0.028 0.000 0.873 1281 K HN 0.294 nan 8.250 nan 0.000 0.491 1287 K N 2.074 122.481 120.400 0.012 0.000 2.130 1287 K HA 0.813 5.133 4.320 0.000 0.000 0.268 1287 K C 0.324 176.933 176.600 0.015 0.000 0.983 1287 K CA -0.206 56.089 56.287 0.013 0.000 0.893 1287 K CB 1.723 34.232 32.500 0.014 0.000 1.066 1287 K HN 0.677 nan 8.250 nan 0.000 0.450 1288 A N 2.501 125.330 122.820 0.015 0.000 2.521 1288 A HA -0.059 4.261 4.320 0.000 0.000 0.237 1288 A C 1.024 178.620 177.584 0.019 0.000 1.087 1288 A CA -0.100 51.946 52.037 0.015 0.000 0.777 1288 A CB 0.129 19.137 19.000 0.014 0.000 1.035 1288 A HN 0.685 nan 8.150 nan 0.000 0.510 1289 L N 0.747 121.982 121.223 0.019 0.000 2.209 1289 L HA 0.009 4.349 4.340 0.000 0.000 0.207 1289 L C 1.884 178.769 176.870 0.025 0.000 1.094 1289 L CA 2.248 57.102 54.840 0.022 0.000 0.790 1289 L CB -1.028 41.042 42.059 0.019 0.000 0.932 1289 L HN 0.795 nan 8.230 nan 0.000 0.447 1290 T N -0.401 114.165 114.554 0.020 0.000 3.278 1290 T HA 0.036 4.386 4.350 0.000 0.000 0.251 1290 T C 0.609 175.322 174.700 0.022 0.000 1.039 1290 T CA -0.161 61.950 62.100 0.019 0.000 0.935 1290 T CB -0.177 68.698 68.868 0.012 0.000 1.034 1290 T HN 0.223 nan 8.240 nan 0.000 0.575 1291 E N 2.328 122.544 120.200 0.027 0.000 2.044 1291 E HA 0.295 4.645 4.350 0.000 0.000 0.282 1291 E C -0.045 176.578 176.600 0.039 0.000 1.031 1291 E CA -0.418 55.998 56.400 0.028 0.000 0.824 1291 E CB 0.744 30.458 29.700 0.024 0.000 1.076 1291 E HN 0.129 nan 8.360 nan 0.000 0.395 1292 V N 7.085 127.023 119.914 0.040 0.000 2.673 1292 V HA 0.194 4.314 4.120 0.000 0.000 0.303 1292 V C -0.088 176.041 176.094 0.058 0.000 1.046 1292 V CA 0.406 62.740 62.300 0.057 0.000 1.126 1292 V CB 0.067 31.918 31.823 0.047 0.000 0.934 1292 V HN 0.626 nan 8.190 nan 0.000 0.487 1293 I N 5.031 125.648 120.570 0.078 0.000 2.607 1293 I HA 0.681 4.851 4.170 0.000 0.000 0.290 1293 I C -2.883 173.279 176.117 0.075 0.000 1.129 1293 I CA -2.261 59.075 61.300 0.060 0.000 1.042 1293 I CB 2.580 40.604 38.000 0.040 0.000 1.242 1293 I HN 0.455 nan 8.210 nan 0.000 0.421 1294 P HA 0.250 nan 4.420 nan 0.000 0.282 1294 P C -0.410 176.896 177.300 0.010 0.000 1.274 1294 P CA -0.355 62.779 63.100 0.056 0.000 0.770 1294 P CB 1.005 32.730 31.700 0.042 0.000 0.867 1295 L N 1.845 123.055 121.223 -0.022 0.000 2.489 1295 L HA 0.259 4.599 4.340 0.000 0.000 0.285 1295 L C 0.513 177.340 176.870 -0.072 0.000 1.259 1295 L CA 0.458 55.231 54.840 -0.112 0.000 0.828 1295 L CB -1.710 40.194 42.059 -0.258 0.000 1.094 1295 L HN 0.229 nan 8.230 nan 0.000 0.524 1296 T N -0.027 114.476 114.554 -0.085 0.000 2.845 1296 T HA 0.139 4.489 4.350 0.000 0.000 0.288 1296 T C 1.070 175.736 174.700 -0.057 0.000 0.980 1296 T CA -0.188 61.877 62.100 -0.057 0.000 1.071 1296 T CB 1.099 69.936 68.868 -0.052 0.000 0.941 1296 T HN 0.822 nan 8.240 nan 0.000 0.487 1297 E N 1.661 121.839 120.200 -0.037 0.000 2.197 1297 E HA -0.272 4.078 4.350 0.000 0.000 0.205 1297 E C 1.478 178.054 176.600 -0.039 0.000 1.029 1297 E CA 1.500 57.882 56.400 -0.031 0.000 0.828 1297 E CB 0.197 29.886 29.700 -0.019 0.000 0.737 1297 E HN 0.553 nan 8.360 nan 0.000 0.464 1298 E N -0.199 119.976 120.200 -0.042 0.000 2.208 1298 E HA -0.133 4.217 4.350 0.000 0.000 0.193 1298 E C 1.955 178.518 176.600 -0.063 0.000 0.988 1298 E CA 0.799 57.172 56.400 -0.045 0.000 0.828 1298 E CB -0.261 29.416 29.700 -0.040 0.000 0.763 1298 E HN 0.377 nan 8.360 nan 0.000 0.478 1299 A N 1.916 124.686 122.820 -0.084 0.000 1.865 1299 A HA -0.250 4.070 4.320 0.000 0.000 0.217 1299 A C 2.086 179.591 177.584 -0.131 0.000 1.191 1299 A CA 1.854 53.817 52.037 -0.124 0.000 0.623 1299 A CB -0.563 18.335 19.000 -0.171 0.000 0.826 1299 A HN 0.135 nan 8.150 nan 0.000 0.444 1300 E N -0.622 119.509 120.200 -0.115 0.000 2.118 1300 E HA -0.187 4.163 4.350 0.000 0.000 0.195 1300 E C 1.785 178.347 176.600 -0.062 0.000 0.992 1300 E CA 1.056 57.401 56.400 -0.091 0.000 0.804 1300 E CB -0.343 29.327 29.700 -0.051 0.000 0.741 1300 E HN 0.472 nan 8.360 nan 0.000 0.458 1301 L N 0.917 122.108 121.223 -0.053 0.000 2.187 1301 L HA -0.201 4.139 4.340 0.000 0.000 0.213 1301 L C 1.743 178.586 176.870 -0.044 0.000 1.100 1301 L CA 1.714 56.530 54.840 -0.040 0.000 0.765 1301 L CB -0.182 41.855 42.059 -0.035 0.000 0.904 1301 L HN 0.070 nan 8.230 nan 0.000 0.437 1302 E N -0.123 120.041 120.200 -0.059 0.000 2.004 1302 E HA -0.153 4.197 4.350 0.000 0.000 0.194 1302 E C 2.109 178.675 176.600 -0.057 0.000 0.981 1302 E CA 1.600 57.964 56.400 -0.059 0.000 0.842 1302 E CB -0.852 28.804 29.700 -0.075 0.000 0.796 1302 E HN 0.584 nan 8.360 nan 0.000 0.477 1303 L N -0.629 120.550 121.223 -0.073 0.000 2.351 1303 L HA -0.058 4.283 4.340 0.000 0.000 0.220 1303 L C 2.250 179.100 176.870 -0.033 0.000 1.127 1303 L CA 1.445 56.251 54.840 -0.057 0.000 0.786 1303 L CB -0.741 41.276 42.059 -0.070 0.000 0.914 1303 L HN -0.022 nan 8.230 nan 0.000 0.443 1304 A N 0.962 123.762 122.820 -0.032 0.000 1.835 1304 A HA -0.254 4.066 4.320 0.000 0.000 0.215 1304 A C 2.367 179.940 177.584 -0.018 0.000 1.199 1304 A CA 1.868 53.895 52.037 -0.017 0.000 0.615 1304 A CB -0.769 18.221 19.000 -0.016 0.000 0.838 1304 A HN 0.584 nan 8.150 nan 0.000 0.444 1305 E N -0.376 119.811 120.200 -0.023 0.000 2.058 1305 E HA -0.248 4.102 4.350 0.000 0.000 0.194 1305 E C 1.825 178.409 176.600 -0.027 0.000 0.997 1305 E CA 1.346 57.733 56.400 -0.022 0.000 0.801 1305 E CB -0.199 29.488 29.700 -0.022 0.000 0.746 1305 E HN 0.519 nan 8.360 nan 0.000 0.450 1306 N N 0.566 119.246 118.700 -0.034 0.000 2.192 1306 N HA -0.210 4.530 4.740 0.000 0.000 0.188 1306 N C 1.839 177.316 175.510 -0.055 0.000 1.013 1306 N CA 1.126 54.148 53.050 -0.046 0.000 0.863 1306 N CB -0.343 38.114 38.487 -0.049 0.000 0.990 1306 N HN 0.119 nan 8.380 nan 0.000 0.430 1307 R N 1.311 121.788 120.500 -0.038 0.000 2.066 1307 R HA -0.008 4.332 4.340 0.000 0.000 0.232 1307 R C 2.000 178.280 176.300 -0.032 0.000 1.131 1307 R CA 1.288 57.369 56.100 -0.032 0.000 0.955 1307 R CB -0.304 29.991 30.300 -0.008 0.000 0.851 1307 R HN 0.295 nan 8.270 nan 0.000 0.432 1308 E N -0.159 120.027 120.200 -0.022 0.000 2.118 1308 E HA -0.131 4.219 4.350 0.000 0.000 0.195 1308 E C 0.110 176.700 176.600 -0.017 0.000 0.992 1308 E CA 0.918 57.309 56.400 -0.014 0.000 0.804 1308 E CB -0.037 29.658 29.700 -0.009 0.000 0.741 1308 E HN 0.339 nan 8.360 nan 0.000 0.458 1309 I N -0.374 120.180 120.570 -0.028 0.000 3.156 1309 I HA -0.016 4.154 4.170 0.000 0.000 0.306 1309 I C 1.400 177.452 176.117 -0.109 0.000 1.048 1309 I CA -0.256 61.025 61.300 -0.032 0.000 1.207 1309 I CB 0.579 38.570 38.000 -0.016 0.000 1.456 1309 I HN 0.197 nan 8.210 nan 0.000 0.616 1310 L N -0.731 120.372 121.223 -0.201 0.000 2.888 1310 L HA -0.363 3.977 4.340 0.000 0.000 0.410 1310 L C 1.969 178.737 176.870 -0.170 0.000 0.695 1310 L CA 1.963 56.532 54.840 -0.451 0.000 3.192 1310 L CB -1.308 40.513 42.059 -0.398 0.000 0.613 1310 L HN 0.852 nan 8.230 nan 0.000 0.765 1311 K N 0.475 120.833 120.400 -0.070 0.000 2.167 1311 K HA 0.049 4.369 4.320 0.000 0.000 0.203 1311 K C 0.680 177.302 176.600 0.038 0.000 1.052 1311 K CA 0.772 57.056 56.287 -0.006 0.000 0.956 1311 K CB 0.062 32.560 32.500 -0.004 0.000 0.735 1311 K HN 0.226 nan 8.250 nan 0.000 0.451 1312 E N 2.646 122.874 120.200 0.046 0.000 2.349 1312 E HA 0.199 4.549 4.350 0.000 0.000 0.265 1312 E C -2.198 174.484 176.600 0.136 0.000 1.064 1312 E CA -2.354 54.092 56.400 0.077 0.000 0.886 1312 E CB 0.699 30.437 29.700 0.062 0.000 1.036 1312 E HN 0.223 nan 8.360 nan 0.000 0.413 1313 P HA -0.000 nan 4.420 nan 0.000 0.269 1313 P C -0.006 177.385 177.300 0.151 0.000 1.215 1313 P CA -0.165 63.016 63.100 0.135 0.000 0.780 1313 P CB 0.456 32.209 31.700 0.089 0.000 0.898 1314 V N 2.474 122.444 119.914 0.093 0.000 2.872 1314 V HA -0.045 4.075 4.120 0.000 0.000 0.307 1314 V C 1.032 177.128 176.094 0.004 0.000 1.072 1314 V CA 0.331 62.617 62.300 -0.023 0.000 1.148 1314 V CB -0.465 31.215 31.823 -0.238 0.000 0.954 1314 V HN 0.637 nan 8.190 nan 0.000 0.490 1315 H N 2.908 121.931 119.070 -0.079 0.000 2.504 1315 H HA 0.486 5.042 4.556 -0.000 0.000 0.322 1315 H C 0.814 176.083 175.328 -0.099 0.000 1.055 1315 H CA 0.460 56.467 56.048 -0.069 0.000 1.231 1315 H CB 1.119 30.878 29.762 -0.006 0.000 1.417 1315 H HN 0.893 nan 8.280 nan 0.000 0.472 1316 G N 3.997 112.453 108.800 -0.573 0.000 2.184 1316 G HA2 -0.235 3.725 3.960 0.000 0.000 0.206 1316 G HA3 -0.235 3.725 3.960 0.000 0.000 0.206 1316 G C -0.342 174.355 174.900 -0.338 0.000 0.995 1316 G CA 0.062 44.907 45.100 -0.425 0.000 0.651 1316 G HN 0.572 nan 8.290 nan 0.000 0.511 1317 V N 1.254 120.868 119.914 -0.500 0.000 2.407 1317 V HA 0.714 4.834 4.120 0.000 0.000 0.278 1317 V C -0.373 175.369 176.094 -0.586 0.000 1.037 1317 V CA -0.398 61.683 62.300 -0.364 0.000 0.900 1317 V CB 0.887 32.580 31.823 -0.217 0.000 0.983 1317 V HN 0.270 nan 8.190 nan 0.000 0.459 1318 Y N 3.412 123.718 120.300 0.009 0.000 2.457 1318 Y HA 0.402 4.952 4.550 -0.000 0.000 0.343 1318 Y C -0.345 175.596 175.900 0.067 0.000 0.994 1318 Y CA -1.048 57.083 58.100 0.051 0.000 1.031 1318 Y CB 1.588 40.056 38.460 0.013 0.000 1.246 1318 Y HN 0.637 nan 8.280 nan 0.000 0.449 1319 Y N 3.389 123.779 120.300 0.151 0.000 2.620 1319 Y HA 0.157 4.708 4.550 0.000 0.000 0.330 1319 Y C -0.291 175.615 175.900 0.010 0.000 1.186 1319 Y CA -0.345 57.760 58.100 0.008 0.000 1.467 1319 Y CB 0.478 38.974 38.460 0.061 0.000 1.262 1319 Y HN 0.573 nan 8.280 nan 0.000 0.550 1320 D N 8.565 128.619 120.400 -0.577 0.000 2.441 1320 D HA 0.303 4.943 4.640 0.000 0.000 0.231 1320 D C -2.303 173.481 176.300 -0.860 0.000 1.073 1320 D CA -2.618 51.035 54.000 -0.578 0.000 0.850 1320 D CB 1.883 42.526 40.800 -0.261 0.000 1.062 1320 D HN 0.332 nan 8.370 nan 0.000 0.524 1321 P HA -0.098 nan 4.420 nan 0.000 0.226 1321 P C 0.925 178.078 177.300 -0.245 0.000 1.146 1321 P CA 0.889 63.640 63.100 -0.582 0.000 0.773 1321 P CB 0.222 31.759 31.700 -0.271 0.000 0.772 1322 S N -3.254 112.308 115.700 -0.230 0.000 2.540 1322 S HA 0.183 4.653 4.470 0.000 0.000 0.218 1322 S C 0.700 175.232 174.600 -0.113 0.000 0.977 1322 S CA -0.182 57.939 58.200 -0.132 0.000 0.918 1322 S CB -0.222 62.910 63.200 -0.114 0.000 0.806 1322 S HN -0.078 nan 8.310 nan 0.000 0.496 1323 K N 2.676 122.989 120.400 -0.146 0.000 2.164 1323 K HA 0.372 4.693 4.320 0.000 0.000 0.258 1323 K C -1.251 175.295 176.600 -0.090 0.000 0.951 1323 K CA -0.627 55.595 56.287 -0.108 0.000 0.844 1323 K CB 0.930 33.361 32.500 -0.116 0.000 1.099 1323 K HN 0.220 nan 8.250 nan 0.000 0.435 1324 D N 3.092 123.446 120.400 -0.077 0.000 2.339 1324 D HA 0.124 4.764 4.640 0.000 0.000 0.245 1324 D C -0.195 176.012 176.300 -0.156 0.000 1.115 1324 D CA -0.136 53.812 54.000 -0.088 0.000 0.917 1324 D CB 0.496 41.255 40.800 -0.069 0.000 1.192 1324 D HN 0.322 nan 8.370 nan 0.000 0.428 1325 L N 0.932 122.026 121.223 -0.215 0.000 2.292 1325 L HA 0.319 4.660 4.340 0.000 0.000 0.284 1325 L C -0.001 176.628 176.870 -0.403 0.000 1.065 1325 L CA -0.875 53.756 54.840 -0.348 0.000 0.806 1325 L CB 0.794 42.589 42.059 -0.439 0.000 1.175 1325 L HN 0.259 nan 8.230 nan 0.000 0.431 1326 I N 2.493 122.737 120.570 -0.542 0.000 2.707 1326 I HA 0.662 4.832 4.170 0.000 0.000 0.309 1326 I C -0.070 175.602 176.117 -0.741 0.000 1.001 1326 I CA -0.096 60.798 61.300 -0.677 0.000 1.129 1326 I CB 1.966 39.410 38.000 -0.926 0.000 1.308 1326 I HN 0.621 nan 8.210 nan 0.000 0.466 1327 A N 4.950 127.399 122.820 -0.619 0.000 2.402 1327 A HA 0.679 4.999 4.320 0.000 0.000 0.291 1327 A C -0.985 176.496 177.584 -0.172 0.000 1.051 1327 A CA -0.612 51.154 52.037 -0.451 0.000 0.716 1327 A CB 0.832 19.350 19.000 -0.804 0.000 1.223 1327 A HN 0.647 nan 8.150 nan 0.000 0.425 1328 E N 1.548 121.761 120.200 0.021 0.000 2.191 1328 E HA 0.653 5.003 4.350 0.000 0.000 0.274 1328 E C -1.065 175.636 176.600 0.169 0.000 0.948 1328 E CA -0.519 55.955 56.400 0.123 0.000 0.802 1328 E CB 2.196 32.007 29.700 0.184 0.000 1.137 1328 E HN 0.614 nan 8.360 nan 0.000 0.397 1329 I N 2.661 123.341 120.570 0.183 0.000 2.545 1329 I HA 0.190 4.360 4.170 0.000 0.000 0.292 1329 I C -0.388 175.861 176.117 0.220 0.000 1.040 1329 I CA -0.926 60.515 61.300 0.234 0.000 1.068 1329 I CB 1.685 39.826 38.000 0.235 0.000 1.251 1329 I HN 0.348 nan 8.210 nan 0.000 0.424 1330 Q N 5.124 125.055 119.800 0.219 0.000 2.377 1330 Q HA 0.453 4.793 4.340 0.000 0.000 0.271 1330 Q C -1.172 174.876 176.000 0.080 0.000 1.077 1330 Q CA -1.077 54.810 55.803 0.139 0.000 0.820 1330 Q CB 2.752 31.528 28.738 0.063 0.000 1.347 1330 Q HN 0.524 nan 8.270 nan 0.000 0.444 1331 K N 1.659 121.981 120.400 -0.129 0.000 2.284 1331 K HA 0.096 4.416 4.320 0.000 0.000 0.287 1331 K C 0.295 176.599 176.600 -0.493 0.000 1.081 1331 K CA -0.145 55.749 56.287 -0.654 0.000 0.910 1331 K CB 0.681 32.808 32.500 -0.621 0.000 1.088 1331 K HN 0.459 nan 8.250 nan 0.000 0.478 1332 Q N 2.420 121.886 119.800 -0.556 0.000 2.360 1332 Q HA 0.112 4.452 4.340 0.000 0.000 0.202 1332 Q C 0.436 176.250 176.000 -0.309 0.000 0.915 1332 Q CA 0.551 56.161 55.803 -0.321 0.000 0.943 1332 Q CB 0.625 29.238 28.738 -0.208 0.000 1.064 1332 Q HN 0.998 nan 8.270 nan 0.000 0.511 1333 G N 1.583 110.131 108.800 -0.420 0.000 2.801 1333 G HA2 -0.253 3.707 3.960 0.000 0.000 0.686 1333 G HA3 -0.253 3.707 3.960 0.000 0.000 0.686 1333 G C -0.311 174.463 174.900 -0.210 0.000 1.507 1333 G CA 0.122 45.053 45.100 -0.281 0.000 0.980 1333 G HN 0.233 nan 8.290 nan 0.000 0.589 1334 Q N -1.522 118.193 119.800 -0.141 0.000 2.501 1334 Q HA 0.018 4.358 4.340 0.000 0.000 0.275 1334 Q C 1.904 177.868 176.000 -0.061 0.000 1.074 1334 Q CA 2.856 58.608 55.803 -0.086 0.000 0.974 1334 Q CB -1.505 27.185 28.738 -0.079 0.000 1.307 1334 Q HN 2.866 nan 8.270 nan 0.000 0.513 1335 G N -1.081 107.696 108.800 -0.038 0.000 2.168 1335 G HA2 -0.344 3.616 3.960 0.000 0.000 0.257 1335 G HA3 -0.344 3.616 3.960 0.000 0.000 0.257 1335 G C -0.092 174.888 174.900 0.132 0.000 0.997 1335 G CA 0.645 45.806 45.100 0.103 0.000 0.708 1335 G HN 0.336 nan 8.290 nan 0.000 0.520 1336 Q N -1.327 118.421 119.800 -0.087 0.000 2.245 1336 Q HA 0.651 4.991 4.340 0.000 0.000 0.256 1336 Q C -0.743 175.111 176.000 -0.243 0.000 0.942 1336 Q CA -0.260 55.523 55.803 -0.033 0.000 0.896 1336 Q CB 1.511 30.205 28.738 -0.072 0.000 1.272 1336 Q HN 0.402 nan 8.270 nan 0.000 0.442 1337 W N 0.599 121.959 121.300 0.101 0.000 3.042 1337 W HA 0.287 4.947 4.660 -0.000 0.000 0.337 1337 W C -0.197 176.418 176.519 0.160 0.000 1.086 1337 W CA -0.571 56.855 57.345 0.135 0.000 1.236 1337 W CB 1.416 30.987 29.460 0.185 0.000 1.381 1337 W HN 0.486 nan 8.180 nan 0.000 0.472 1338 T N -0.135 114.589 114.554 0.284 0.000 2.943 1338 T HA 0.843 5.194 4.350 0.000 0.000 0.284 1338 T C -1.046 173.792 174.700 0.231 0.000 1.015 1338 T CA -0.566 61.640 62.100 0.176 0.000 1.042 1338 T CB 1.786 70.690 68.868 0.060 0.000 1.055 1338 T HN 0.520 nan 8.240 nan 0.000 0.500 1339 Y N -0.952 119.356 120.300 0.013 0.000 2.558 1339 Y HA 0.731 5.281 4.550 -0.000 0.000 0.333 1339 Y C -1.507 174.337 175.900 -0.093 0.000 1.125 1339 Y CA -1.366 56.725 58.100 -0.015 0.000 1.039 1339 Y CB 1.270 39.768 38.460 0.064 0.000 1.331 1339 Y HN 0.618 nan 8.280 nan 0.000 0.456 1340 Q N 3.251 123.068 119.800 0.027 0.000 2.387 1340 Q HA 0.767 5.107 4.340 0.000 0.000 0.273 1340 Q C -1.346 174.750 176.000 0.159 0.000 1.089 1340 Q CA -0.707 55.101 55.803 0.008 0.000 0.824 1340 Q CB 3.250 31.933 28.738 -0.092 0.000 1.367 1340 Q HN 0.758 nan 8.270 nan 0.000 0.443 1341 I N 2.164 122.821 120.570 0.145 0.000 2.498 1341 I HA 0.640 4.810 4.170 0.000 0.000 0.290 1341 I C -1.204 174.937 176.117 0.040 0.000 1.032 1341 I CA -1.137 60.163 61.300 0.001 0.000 1.073 1341 I CB 1.148 39.168 38.000 0.034 0.000 1.251 1341 I HN 0.663 nan 8.210 nan 0.000 0.426 1342 Y N 2.433 122.652 120.300 -0.134 0.000 2.656 1342 Y HA 0.450 5.000 4.550 0.000 0.000 0.334 1342 Y C -0.470 175.348 175.900 -0.137 0.000 1.179 1342 Y CA -0.959 57.070 58.100 -0.117 0.000 1.050 1342 Y CB 1.181 39.614 38.460 -0.045 0.000 1.308 1342 Y HN 0.444 nan 8.280 nan 0.000 0.456 1343 Q N -0.165 119.687 119.800 0.086 0.000 2.350 1343 Q HA 0.253 4.593 4.340 0.000 0.000 0.225 1343 Q C -0.769 175.327 176.000 0.160 0.000 0.878 1343 Q CA 0.319 56.131 55.803 0.015 0.000 0.935 1343 Q CB 0.970 29.678 28.738 -0.051 0.000 1.099 1343 Q HN 0.599 nan 8.270 nan 0.000 0.527 1344 E N 0.444 120.817 120.200 0.288 0.000 2.278 1344 E HA 0.285 4.635 4.350 0.000 0.000 0.272 1344 E C -2.757 173.908 176.600 0.108 0.000 0.890 1344 E CA -2.589 53.924 56.400 0.189 0.000 0.770 1344 E CB 1.507 31.245 29.700 0.063 0.000 1.212 1344 E HN -0.251 nan 8.360 nan 0.000 0.415 1345 P HA -0.048 nan 4.420 nan 0.000 0.252 1345 P C -0.448 176.913 177.300 0.102 0.000 1.147 1345 P CA 0.883 63.923 63.100 -0.101 0.000 0.779 1345 P CB -0.024 31.726 31.700 0.083 0.000 0.733 1346 F N 0.549 120.171 119.950 -0.548 0.000 2.245 1346 F HA -0.201 4.326 4.527 0.000 0.000 0.561 1346 F C 0.730 176.404 175.800 -0.210 0.000 0.508 1346 F CA 0.756 58.589 58.000 -0.279 0.000 1.604 1346 F CB -1.379 37.482 39.000 -0.231 0.000 2.361 1346 F HN 0.266 nan 8.300 nan 0.000 0.253 1347 K N 2.110 122.485 120.400 -0.042 0.000 2.263 1347 K HA 0.322 4.642 4.320 0.000 0.000 0.282 1347 K C -0.269 176.323 176.600 -0.013 0.000 1.089 1347 K CA -0.361 55.893 56.287 -0.054 0.000 0.907 1347 K CB 0.373 32.848 32.500 -0.042 0.000 1.148 1347 K HN 0.010 nan 8.250 nan 0.000 0.470 1348 N N 3.475 122.154 118.700 -0.035 0.000 2.426 1348 N HA 0.088 4.828 4.740 0.000 0.000 0.275 1348 N C 0.645 176.181 175.510 0.044 0.000 1.019 1348 N CA -0.404 52.674 53.050 0.046 0.000 0.941 1348 N CB 1.241 39.758 38.487 0.049 0.000 1.123 1348 N HN 0.264 nan 8.380 nan 0.000 0.486 1349 L N 1.247 122.522 121.223 0.086 0.000 2.240 1349 L HA 0.130 4.470 4.340 0.000 0.000 0.211 1349 L C 0.776 177.779 176.870 0.221 0.000 1.106 1349 L CA 1.383 56.307 54.840 0.140 0.000 0.793 1349 L CB -1.019 41.100 42.059 0.100 0.000 0.927 1349 L HN 0.652 nan 8.230 nan 0.000 0.446 1350 K N -1.005 119.508 120.400 0.187 0.000 2.610 1350 K HA 0.339 4.659 4.320 0.000 0.000 0.267 1350 K C -1.159 175.480 176.600 0.065 0.000 0.943 1350 K CA -0.287 56.100 56.287 0.168 0.000 0.862 1350 K CB 1.496 34.158 32.500 0.270 0.000 1.376 1350 K HN -0.061 nan 8.250 nan 0.000 0.412 1351 T N -0.056 114.468 114.554 -0.050 0.000 2.916 1351 T HA 0.882 5.232 4.350 0.000 0.000 0.305 1351 T C -0.247 174.191 174.700 -0.436 0.000 1.119 1351 T CA -0.029 61.904 62.100 -0.280 0.000 1.008 1351 T CB 1.859 70.653 68.868 -0.124 0.000 1.129 1351 T HN 0.855 nan 8.240 nan 0.000 0.480 1352 G N 1.246 109.497 108.800 -0.915 0.000 2.650 1352 G HA2 0.767 4.727 3.960 0.000 0.000 0.310 1352 G HA3 0.767 4.727 3.960 0.000 0.000 0.310 1352 G C -1.899 172.745 174.900 -0.427 0.000 1.270 1352 G CA -0.923 43.808 45.100 -0.615 0.000 0.810 1352 G HN 1.056 nan 8.290 nan 0.000 0.493 1353 K N -1.848 118.564 120.400 0.020 0.000 2.555 1353 K HA 0.687 5.007 4.320 0.000 0.000 0.279 1353 K C -2.307 174.518 176.600 0.374 0.000 0.986 1353 K CA -1.066 55.353 56.287 0.221 0.000 0.880 1353 K CB 2.579 35.150 32.500 0.119 0.000 1.474 1353 K HN 0.704 nan 8.250 nan 0.000 0.433 1354 Y N 0.610 121.059 120.300 0.247 0.000 2.433 1354 Y HA 0.618 5.168 4.550 0.000 0.000 0.337 1354 Y C -1.381 174.647 175.900 0.214 0.000 1.026 1354 Y CA -0.387 57.827 58.100 0.191 0.000 1.037 1354 Y CB 2.152 40.696 38.460 0.139 0.000 1.245 1354 Y HN 1.001 nan 8.280 nan 0.000 0.443 1362 T N 2.385 116.749 114.554 -0.316 0.000 2.823 1362 T HA 0.552 4.902 4.350 0.000 0.000 0.279 1362 T C 0.061 174.569 174.700 -0.319 0.000 0.998 1362 T CA -0.892 60.990 62.100 -0.363 0.000 0.994 1362 T CB 2.005 70.778 68.868 -0.157 0.000 0.960 1362 T HN 0.662 nan 8.240 nan 0.000 0.448 1363 N N 0.647 119.126 118.700 -0.368 0.000 2.509 1363 N HA 0.392 5.132 4.740 0.000 0.000 0.280 1363 N C 0.069 175.512 175.510 -0.111 0.000 1.306 1363 N CA -0.965 51.957 53.050 -0.213 0.000 0.782 1363 N CB 0.581 38.919 38.487 -0.248 0.000 1.493 1363 N HN 0.308 nan 8.380 nan 0.000 0.498 1364 D N -0.168 120.240 120.400 0.013 0.000 2.160 1364 D HA -0.155 4.485 4.640 0.000 0.000 0.189 1364 D C 1.640 177.971 176.300 0.052 0.000 1.003 1364 D CA 1.597 55.703 54.000 0.177 0.000 0.846 1364 D CB -0.309 40.604 40.800 0.188 0.000 0.949 1364 D HN 0.367 nan 8.370 nan 0.000 0.446 1365 V N 0.879 120.778 119.914 -0.026 0.000 2.515 1365 V HA -0.161 3.959 4.120 0.000 0.000 0.250 1365 V C 2.407 178.404 176.094 -0.162 0.000 1.058 1365 V CA 1.194 63.503 62.300 0.016 0.000 1.064 1365 V CB -0.367 31.495 31.823 0.065 0.000 0.675 1365 V HN 0.167 nan 8.190 nan 0.000 0.461 1366 K N 0.257 120.360 120.400 -0.494 0.000 2.025 1366 K HA -0.188 4.132 4.320 0.000 0.000 0.207 1366 K C 2.223 178.589 176.600 -0.389 0.000 1.049 1366 K CA 1.717 57.516 56.287 -0.813 0.000 0.933 1366 K CB -0.139 31.705 32.500 -1.094 0.000 0.714 1366 K HN 0.554 nan 8.250 nan 0.000 0.438 1367 Q N 0.357 119.983 119.800 -0.290 0.000 2.079 1367 Q HA -0.152 4.188 4.340 0.000 0.000 0.200 1367 Q C 2.081 177.749 176.000 -0.553 0.000 0.974 1367 Q CA 1.091 56.738 55.803 -0.259 0.000 0.840 1367 Q CB -0.130 28.567 28.738 -0.068 0.000 0.898 1367 Q HN 0.137 nan 8.270 nan 0.000 0.430 1368 L N 0.548 121.375 121.223 -0.660 0.000 2.046 1368 L HA -0.150 4.190 4.340 0.000 0.000 0.208 1368 L C 2.067 178.780 176.870 -0.262 0.000 1.077 1368 L CA 1.989 56.408 54.840 -0.702 0.000 0.747 1368 L CB -0.928 40.854 42.059 -0.462 0.000 0.896 1368 L HN 0.119 nan 8.230 nan 0.000 0.432 1369 T N -0.319 114.260 114.554 0.041 0.000 2.720 1369 T HA -0.211 4.139 4.350 0.000 0.000 0.268 1369 T C 1.701 176.382 174.700 -0.031 0.000 1.037 1369 T CA 1.881 64.131 62.100 0.250 0.000 1.144 1369 T CB -0.216 68.820 68.868 0.281 0.000 0.864 1369 T HN 0.489 nan 8.240 nan 0.000 0.444 1370 E N 0.853 120.934 120.200 -0.198 0.000 2.072 1370 E HA -0.047 4.303 4.350 0.000 0.000 0.191 1370 E C 2.616 178.846 176.600 -0.616 0.000 0.985 1370 E CA 0.891 57.092 56.400 -0.332 0.000 0.801 1370 E CB -0.230 29.331 29.700 -0.231 0.000 0.750 1370 E HN 0.482 nan 8.360 nan 0.000 0.452 1371 A N 1.121 123.493 122.820 -0.745 0.000 1.883 1371 A HA -0.177 4.143 4.320 0.000 0.000 0.217 1371 A C 2.527 179.807 177.584 -0.507 0.000 1.186 1371 A CA 1.419 52.986 52.037 -0.783 0.000 0.624 1371 A CB -0.823 17.816 19.000 -0.600 0.000 0.822 1371 A HN 0.129 nan 8.150 nan 0.000 0.444 1372 V N -0.414 119.248 119.914 -0.420 0.000 2.469 1372 V HA -0.312 3.808 4.120 0.000 0.000 0.251 1372 V C 2.649 178.615 176.094 -0.214 0.000 1.064 1372 V CA 2.359 64.362 62.300 -0.495 0.000 1.066 1372 V CB -0.801 30.740 31.823 -0.470 0.000 0.667 1372 V HN 0.676 nan 8.190 nan 0.000 0.461 1373 Q N -0.640 119.056 119.800 -0.173 0.000 2.083 1373 Q HA -0.157 4.183 4.340 0.000 0.000 0.198 1373 Q C 2.450 178.466 176.000 0.027 0.000 0.969 1373 Q CA 1.190 56.967 55.803 -0.044 0.000 0.838 1373 Q CB -0.103 28.471 28.738 -0.273 0.000 0.900 1373 Q HN 0.303 nan 8.270 nan 0.000 0.436 1374 K N 0.913 121.219 120.400 -0.157 0.000 2.002 1374 K HA -0.106 4.214 4.320 0.000 0.000 0.209 1374 K C 1.811 178.318 176.600 -0.155 0.000 1.048 1374 K CA 1.387 57.592 56.287 -0.137 0.000 0.930 1374 K CB -0.504 31.827 32.500 -0.281 0.000 0.714 1374 K HN 0.263 nan 8.250 nan 0.000 0.438 1375 I N 0.767 121.184 120.570 -0.255 0.000 2.264 1375 I HA -0.278 3.892 4.170 0.000 0.000 0.248 1375 I C 1.948 178.017 176.117 -0.079 0.000 1.111 1375 I CA 1.512 62.636 61.300 -0.293 0.000 1.382 1375 I CB -0.453 37.334 38.000 -0.356 0.000 1.060 1375 I HN 0.140 nan 8.210 nan 0.000 0.418 1376 T N -0.284 114.294 114.554 0.041 0.000 2.812 1376 T HA -0.130 4.220 4.350 0.000 0.000 0.264 1376 T C 1.935 176.549 174.700 -0.143 0.000 1.042 1376 T CA 1.855 63.922 62.100 -0.054 0.000 1.140 1376 T CB -0.439 68.334 68.868 -0.158 0.000 0.870 1376 T HN 0.342 nan 8.240 nan 0.000 0.445 1377 T N 2.423 116.993 114.554 0.027 0.000 2.665 1377 T HA -0.151 4.199 4.350 0.000 0.000 0.268 1377 T C 1.936 176.654 174.700 0.030 0.000 1.035 1377 T CA 1.462 63.642 62.100 0.133 0.000 1.151 1377 T CB -0.348 68.678 68.868 0.264 0.000 0.862 1377 T HN 0.552 nan 8.240 nan 0.000 0.438 1378 E N 0.662 120.834 120.200 -0.048 0.000 2.077 1378 E HA -0.097 4.253 4.350 0.000 0.000 0.193 1378 E C 2.522 179.018 176.600 -0.172 0.000 0.989 1378 E CA 1.077 57.404 56.400 -0.121 0.000 0.800 1378 E CB -0.213 29.235 29.700 -0.420 0.000 0.746 1378 E HN 0.335 nan 8.360 nan 0.000 0.452 1379 S N 0.717 116.335 115.700 -0.136 0.000 2.359 1379 S HA -0.169 4.301 4.470 0.000 0.000 0.224 1379 S C 2.012 176.499 174.600 -0.189 0.000 1.035 1379 S CA 0.998 59.175 58.200 -0.038 0.000 1.018 1379 S CB -0.213 63.013 63.200 0.044 0.000 0.876 1379 S HN 0.181 nan 8.310 nan 0.000 0.448 1380 I N 0.840 121.230 120.570 -0.299 0.000 2.226 1380 I HA -0.128 4.042 4.170 0.000 0.000 0.245 1380 I C 2.282 178.171 176.117 -0.380 0.000 1.100 1380 I CA 0.978 62.006 61.300 -0.454 0.000 1.374 1380 I CB -0.407 37.228 38.000 -0.608 0.000 1.057 1380 I HN 0.197 nan 8.210 nan 0.000 0.413 1381 V N 1.073 120.797 119.914 -0.317 0.000 2.490 1381 V HA -0.262 3.858 4.120 0.000 0.000 0.250 1381 V C 2.128 178.113 176.094 -0.181 0.000 1.061 1381 V CA 1.783 63.949 62.300 -0.223 0.000 1.064 1381 V CB -0.237 31.575 31.823 -0.019 0.000 0.670 1381 V HN 0.345 nan 8.190 nan 0.000 0.461 1382 I N -2.252 118.058 120.570 -0.433 0.000 2.628 1382 I HA -0.061 4.110 4.170 0.000 0.000 0.255 1382 I C 1.901 177.405 176.117 -1.023 0.000 1.119 1382 I CA 1.111 61.929 61.300 -0.803 0.000 1.448 1382 I CB -0.083 37.043 38.000 -1.457 0.000 1.133 1382 I HN 0.381 nan 8.210 nan 0.000 0.438 1383 W N 0.232 121.131 121.300 -0.669 0.000 2.741 1383 W HA 0.368 5.029 4.660 0.000 0.000 0.317 1383 W C 1.259 177.168 176.519 -1.016 0.000 1.029 1383 W CA 0.544 57.344 57.345 -0.907 0.000 1.511 1383 W CB -0.073 28.825 29.460 -0.938 0.000 1.025 1383 W HN 0.264 nan 8.180 nan 0.000 0.554 1384 G N 2.836 111.144 108.800 -0.820 0.000 2.176 1384 G HA2 -0.286 3.674 3.960 0.000 0.000 0.252 1384 G HA3 -0.286 3.674 3.960 0.000 0.000 0.252 1384 G C 0.085 174.896 174.900 -0.149 0.000 1.024 1384 G CA 0.892 45.767 45.100 -0.375 0.000 0.755 1384 G HN 0.322 nan 8.290 nan 0.000 0.507 1385 K N -1.433 118.831 120.400 -0.226 0.000 2.556 1385 K HA 0.704 5.024 4.320 0.000 0.000 0.274 1385 K C -0.276 176.196 176.600 -0.215 0.000 0.966 1385 K CA -0.401 55.805 56.287 -0.136 0.000 0.865 1385 K CB 1.039 33.557 32.500 0.030 0.000 1.444 1385 K HN 0.514 nan 8.250 nan 0.000 0.433 1386 T N -0.509 113.939 114.554 -0.176 0.000 2.882 1386 T HA 0.468 4.818 4.350 0.000 0.000 0.287 1386 T C -2.171 172.421 174.700 -0.180 0.000 0.992 1386 T CA -1.553 60.427 62.100 -0.200 0.000 1.076 1386 T CB 0.956 69.722 68.868 -0.170 0.000 0.961 1386 T HN 0.457 nan 8.240 nan 0.000 0.490 1387 P HA 0.322 nan 4.420 nan 0.000 0.277 1387 P C -0.801 176.240 177.300 -0.431 0.000 1.240 1387 P CA -0.783 62.059 63.100 -0.429 0.000 0.798 1387 P CB 0.830 32.139 31.700 -0.652 0.000 0.979 1388 K N 2.183 122.365 120.400 -0.363 0.000 2.276 1388 K HA 0.301 4.621 4.320 0.000 0.000 0.285 1388 K C -0.740 175.677 176.600 -0.305 0.000 1.062 1388 K CA -0.372 55.776 56.287 -0.231 0.000 0.918 1388 K CB -0.115 32.289 32.500 -0.159 0.000 1.055 1388 K HN 0.256 nan 8.250 nan 0.000 0.477 1389 F N 3.227 123.121 119.950 -0.093 0.000 2.396 1389 F HA 0.256 4.783 4.527 0.000 0.000 0.343 1389 F C 0.591 176.302 175.800 -0.149 0.000 1.104 1389 F CA -0.299 57.636 58.000 -0.109 0.000 1.161 1389 F CB 1.214 40.166 39.000 -0.081 0.000 1.146 1389 F HN 0.216 nan 8.300 nan 0.000 0.522 1390 K N 4.541 124.968 120.400 0.045 0.000 2.292 1390 K HA 0.365 4.685 4.320 0.000 0.000 0.270 1390 K C -1.255 175.329 176.600 -0.027 0.000 1.062 1390 K CA -0.705 55.575 56.287 -0.013 0.000 0.916 1390 K CB 1.027 33.550 32.500 0.038 0.000 1.166 1390 K HN 0.274 nan 8.250 nan 0.000 0.458 1391 L N 5.436 126.555 121.223 -0.174 0.000 2.275 1391 L HA 0.277 4.617 4.340 0.000 0.000 0.288 1391 L C -1.931 174.952 176.870 0.022 0.000 1.046 1391 L CA -2.578 52.147 54.840 -0.191 0.000 0.805 1391 L CB 0.947 42.677 42.059 -0.550 0.000 1.193 1391 L HN 0.397 nan 8.230 nan 0.000 0.426 1392 P HA 0.245 nan 4.420 nan 0.000 0.230 1392 P C -0.256 177.123 177.300 0.132 0.000 1.791 1392 P CA 0.344 63.516 63.100 0.120 0.000 1.020 1392 P CB 0.623 32.415 31.700 0.153 0.000 1.977 1393 I N -0.685 119.974 120.570 0.148 0.000 3.021 1393 I HA 0.212 4.382 4.170 0.000 0.000 0.305 1393 I C -1.155 174.985 176.117 0.039 0.000 1.434 1393 I CA -1.236 60.136 61.300 0.120 0.000 0.969 1393 I CB 2.940 41.021 38.000 0.136 0.000 1.328 1393 I HN -0.098 nan 8.210 nan 0.000 0.486 1394 Q N 4.310 124.102 119.800 -0.014 0.000 2.296 1394 Q HA 0.109 4.449 4.340 0.000 0.000 0.262 1394 Q C 0.760 176.545 176.000 -0.359 0.000 0.981 1394 Q CA -0.016 55.717 55.803 -0.116 0.000 0.905 1394 Q CB 1.533 30.262 28.738 -0.016 0.000 1.186 1394 Q HN 0.613 nan 8.270 nan 0.000 0.399 1395 K N 3.686 123.683 120.400 -0.671 0.000 2.052 1395 K HA -0.295 4.025 4.320 0.000 0.000 0.215 1395 K C 1.033 177.424 176.600 -0.348 0.000 1.053 1395 K CA 2.463 58.135 56.287 -1.025 0.000 0.934 1395 K CB 0.129 32.287 32.500 -0.569 0.000 0.717 1395 K HN 0.689 nan 8.250 nan 0.000 0.450 1396 E N -0.069 120.059 120.200 -0.120 0.000 2.110 1396 E HA -0.109 4.241 4.350 0.000 0.000 0.193 1396 E C 2.029 178.661 176.600 0.052 0.000 0.988 1396 E CA 1.860 58.268 56.400 0.014 0.000 0.804 1396 E CB -0.422 29.309 29.700 0.051 0.000 0.745 1396 E HN 0.437 nan 8.360 nan 0.000 0.458 1397 T N 0.395 115.001 114.554 0.086 0.000 2.737 1397 T HA -0.167 4.183 4.350 0.000 0.000 0.265 1397 T C 1.379 176.273 174.700 0.324 0.000 1.038 1397 T CA 1.105 63.348 62.100 0.238 0.000 1.144 1397 T CB -0.441 68.554 68.868 0.212 0.000 0.866 1397 T HN 0.405 nan 8.240 nan 0.000 0.434 1398 W N 2.182 123.481 121.300 -0.001 0.000 2.354 1398 W HA -0.143 4.517 4.660 0.000 0.000 0.315 1398 W C 1.886 178.435 176.519 0.049 0.000 1.206 1398 W CA 1.353 58.699 57.345 0.002 0.000 1.290 1398 W CB -0.188 29.198 29.460 -0.123 0.000 1.152 1398 W HN 0.381 nan 8.180 nan 0.000 0.489 1399 E N -0.441 119.760 120.200 0.001 0.000 2.160 1399 E HA -0.197 4.153 4.350 0.000 0.000 0.195 1399 E C 2.015 178.499 176.600 -0.192 0.000 0.991 1399 E CA 2.023 58.343 56.400 -0.134 0.000 0.810 1399 E CB -0.317 29.268 29.700 -0.192 0.000 0.742 1399 E HN 0.166 nan 8.360 nan 0.000 0.466 1400 T N -0.746 113.702 114.554 -0.177 0.000 2.904 1400 T HA -0.113 4.237 4.350 0.000 0.000 0.267 1400 T C 0.847 175.148 174.700 -0.665 0.000 1.059 1400 T CA 1.097 62.931 62.100 -0.442 0.000 1.137 1400 T CB -0.089 68.455 68.868 -0.541 0.000 0.879 1400 T HN 0.364 nan 8.240 nan 0.000 0.467 1401 W N -0.311 120.881 121.300 -0.181 0.000 2.835 1401 W HA 0.300 4.960 4.660 -0.000 0.000 0.278 1401 W C 1.952 178.263 176.519 -0.346 0.000 1.075 1401 W CA -1.268 55.966 57.345 -0.186 0.000 1.439 1401 W CB -0.294 29.175 29.460 0.015 0.000 0.927 1401 W HN 0.250 nan 8.180 nan 0.000 0.604 1402 W N 0.554 121.526 121.300 -0.546 0.000 2.313 1402 W HA -0.232 4.428 4.660 0.000 0.000 0.293 1402 W C 1.200 177.452 176.519 -0.444 0.000 1.216 1402 W CA 1.930 58.716 57.345 -0.933 0.000 1.223 1402 W CB -1.714 26.514 29.460 -2.053 0.000 1.138 1402 W HN -0.188 nan 8.180 nan 0.000 0.535 1403 T N 1.152 114.845 114.554 -1.434 0.000 2.995 1403 T HA -0.174 4.176 4.350 0.000 0.000 0.269 1403 T C 1.540 175.897 174.700 -0.571 0.000 1.091 1403 T CA 1.913 63.196 62.100 -1.361 0.000 1.128 1403 T CB -0.232 67.850 68.868 -1.310 0.000 0.891 1403 T HN 0.121 nan 8.240 nan 0.000 0.492 1404 E N -0.035 119.876 120.200 -0.482 0.000 2.153 1404 E HA -0.075 4.275 4.350 0.000 0.000 0.194 1404 E C 0.701 176.906 176.600 -0.659 0.000 0.988 1404 E CA 1.415 57.464 56.400 -0.584 0.000 0.811 1404 E CB -0.085 29.141 29.700 -0.789 0.000 0.746 1404 E HN 0.755 nan 8.360 nan 0.000 0.466 1405 Y N -2.468 117.829 120.300 -0.005 0.000 2.471 1405 Y HA 0.203 4.753 4.550 0.000 0.000 0.249 1405 Y C 0.393 176.314 175.900 0.034 0.000 1.116 1405 Y CA -0.866 57.243 58.100 0.014 0.000 1.240 1405 Y CB -0.126 38.342 38.460 0.013 0.000 1.251 1405 Y HN 0.009 nan 8.280 nan 0.000 0.527 1406 W N 3.482 124.756 121.300 -0.043 0.000 2.193 1406 W HA 0.071 4.731 4.660 0.000 0.000 0.338 1406 W C 0.137 176.618 176.519 -0.062 0.000 1.310 1406 W CA 1.031 58.364 57.345 -0.020 0.000 1.243 1406 W CB 0.946 30.366 29.460 -0.067 0.000 1.165 1406 W HN 0.313 nan 8.180 nan 0.000 0.566 1407 Q N 2.992 122.526 119.800 -0.442 0.000 2.237 1407 Q HA 0.173 4.513 4.340 0.000 0.000 0.254 1407 Q C 0.617 176.381 176.000 -0.394 0.000 0.771 1407 Q CA -0.209 55.422 55.803 -0.285 0.000 0.958 1407 Q CB 0.788 29.389 28.738 -0.229 0.000 1.202 1407 Q HN 0.439 nan 8.270 nan 0.000 0.492 1408 A N 1.234 123.546 122.820 -0.846 0.000 2.429 1408 A HA 0.170 4.490 4.320 0.000 0.000 0.242 1408 A C 1.080 178.420 177.584 -0.408 0.000 1.088 1408 A CA 0.830 52.310 52.037 -0.927 0.000 0.784 1408 A CB 0.156 17.973 19.000 -1.972 0.000 1.038 1408 A HN 0.300 nan 8.150 nan 0.000 0.501 1409 T N -2.162 112.101 114.554 -0.486 0.000 3.054 1409 T HA 0.237 4.587 4.350 0.000 0.000 0.255 1409 T C 0.276 175.040 174.700 0.107 0.000 1.035 1409 T CA -0.167 61.891 62.100 -0.071 0.000 0.941 1409 T CB -0.345 68.504 68.868 -0.032 0.000 1.026 1409 T HN 0.698 nan 8.240 nan 0.000 0.533 1410 W N 0.676 122.220 121.300 0.407 0.000 2.671 1410 W HA 0.779 5.439 4.660 0.000 0.000 0.360 1410 W C -1.244 175.577 176.519 0.504 0.000 1.128 1410 W CA -1.892 55.675 57.345 0.370 0.000 1.184 1410 W CB 0.753 30.408 29.460 0.325 0.000 1.415 1410 W HN -0.110 nan 8.180 nan 0.000 0.604 1411 I N 2.694 123.699 120.570 0.726 0.000 2.500 1411 I HA 0.213 4.383 4.170 0.000 0.000 0.286 1411 I C -2.232 173.973 176.117 0.147 0.000 1.063 1411 I CA -2.226 59.286 61.300 0.353 0.000 1.062 1411 I CB 1.979 39.917 38.000 -0.104 0.000 1.223 1411 I HN -0.044 nan 8.210 nan 0.000 0.435 1412 P HA 0.194 nan 4.420 nan 0.000 0.276 1412 P C -0.812 176.369 177.300 -0.199 0.000 1.252 1412 P CA -0.382 62.769 63.100 0.084 0.000 0.802 1412 P CB 0.741 32.649 31.700 0.346 0.000 1.035 1413 E N 0.784 120.897 120.200 -0.144 0.000 2.373 1413 E HA 0.186 4.536 4.350 0.000 0.000 0.267 1413 E C -0.400 176.144 176.600 -0.094 0.000 1.032 1413 E CA 0.314 56.558 56.400 -0.259 0.000 0.889 1413 E CB 0.182 29.805 29.700 -0.128 0.000 0.984 1413 E HN 0.480 nan 8.360 nan 0.000 0.425 1414 W N 0.543 121.776 121.300 -0.112 0.000 3.107 1414 W HA 0.687 5.347 4.660 -0.000 0.000 0.331 1414 W C -0.615 175.637 176.519 -0.445 0.000 1.204 1414 W CA -1.199 55.987 57.345 -0.264 0.000 1.184 1414 W CB 0.650 29.862 29.460 -0.413 0.000 1.421 1414 W HN 0.403 nan 8.180 nan 0.000 0.544 1415 E N 0.626 120.672 120.200 -0.256 0.000 2.410 1415 E HA 0.720 5.070 4.350 0.000 0.000 0.269 1415 E C -1.870 174.325 176.600 -0.675 0.000 0.937 1415 E CA -1.124 55.064 56.400 -0.353 0.000 0.793 1415 E CB 2.255 31.903 29.700 -0.088 0.000 1.314 1415 E HN 0.369 nan 8.360 nan 0.000 0.447 1416 F N 1.395 121.376 119.950 0.053 0.000 2.493 1416 F HA 0.457 4.984 4.527 -0.000 0.000 0.329 1416 F C -0.234 175.591 175.800 0.042 0.000 1.126 1416 F CA -0.813 57.192 58.000 0.008 0.000 0.937 1416 F CB 1.658 40.661 39.000 0.006 0.000 1.146 1416 F HN 0.185 nan 8.300 nan 0.000 0.442 1417 V N -0.476 119.554 119.914 0.193 0.000 3.141 1417 V HA 0.620 4.740 4.120 0.000 0.000 0.312 1417 V C -0.860 175.312 176.094 0.130 0.000 1.157 1417 V CA -1.024 61.363 62.300 0.145 0.000 1.041 1417 V CB 2.194 34.088 31.823 0.119 0.000 1.071 1417 V HN 0.619 nan 8.190 nan 0.000 0.441 1418 N N 1.367 120.135 118.700 0.113 0.000 3.105 1418 N HA 0.285 5.025 4.740 0.000 0.000 0.256 1418 N C -0.148 175.411 175.510 0.081 0.000 1.174 1418 N CA -0.127 52.978 53.050 0.092 0.000 1.030 1418 N CB 0.474 39.011 38.487 0.084 0.000 1.305 1418 N HN 0.880 nan 8.380 nan 0.000 0.509 1419 T N 3.585 118.184 114.554 0.075 0.000 2.386 1419 T HA -0.060 4.290 4.350 0.000 0.000 0.219 1419 T C -2.111 172.608 174.700 0.031 0.000 1.082 1419 T CA -0.306 61.829 62.100 0.058 0.000 1.319 1419 T CB -0.300 68.591 68.868 0.038 0.000 1.052 1419 T HN 0.288 nan 8.240 nan 0.000 0.474 1420 P HA 0.091 nan 4.420 nan 0.000 0.260 1420 P C -1.996 175.244 177.300 -0.099 0.000 1.185 1420 P CA -1.408 61.700 63.100 0.014 0.000 0.763 1420 P CB 0.461 32.212 31.700 0.085 0.000 0.776 1421 P HA -0.125 nan 4.420 nan 0.000 0.216 1421 P C 1.407 178.474 177.300 -0.388 0.000 1.150 1421 P CA 1.424 64.404 63.100 -0.201 0.000 0.843 1421 P CB -0.020 31.588 31.700 -0.154 0.000 0.787 1422 L N -1.998 118.874 121.223 -0.585 0.000 2.307 1422 L HA -0.030 4.310 4.340 0.000 0.000 0.211 1422 L C 2.245 178.237 176.870 -1.463 0.000 1.099 1422 L CA 0.512 54.592 54.840 -1.267 0.000 0.816 1422 L CB -0.732 40.331 42.059 -1.661 0.000 0.952 1422 L HN -0.180 nan 8.230 nan 0.000 0.455 1423 V N 0.475 119.932 119.914 -0.762 0.000 2.407 1423 V HA -0.293 3.827 4.120 0.000 0.000 0.248 1423 V C 2.584 178.590 176.094 -0.147 0.000 1.055 1423 V CA 1.902 63.981 62.300 -0.367 0.000 1.049 1423 V CB -0.641 31.143 31.823 -0.066 0.000 0.662 1423 V HN 0.482 nan 8.190 nan 0.000 0.455 1424 K N 0.307 120.595 120.400 -0.186 0.000 2.097 1424 K HA -0.190 4.130 4.320 0.000 0.000 0.206 1424 K C 2.199 178.709 176.600 -0.150 0.000 1.049 1424 K CA 1.794 58.019 56.287 -0.104 0.000 0.933 1424 K CB -0.169 32.252 32.500 -0.131 0.000 0.717 1424 K HN 0.477 nan 8.250 nan 0.000 0.442 1425 L N 0.011 121.022 121.223 -0.353 0.000 2.179 1425 L HA -0.051 4.289 4.340 0.000 0.000 0.208 1425 L C 1.651 178.363 176.870 -0.264 0.000 1.096 1425 L CA 0.562 55.188 54.840 -0.356 0.000 0.779 1425 L CB -0.135 41.613 42.059 -0.518 0.000 0.922 1425 L HN 0.314 nan 8.230 nan 0.000 0.443 1426 W N -0.993 120.134 121.300 -0.289 0.000 2.937 1426 W HA -0.032 4.628 4.660 -0.000 0.000 0.245 1426 W C 1.119 177.366 176.519 -0.452 0.000 1.306 1426 W CA 0.278 57.380 57.345 -0.405 0.000 1.470 1426 W CB -0.442 28.628 29.460 -0.649 0.000 1.132 1426 W HN 0.293 nan 8.180 nan 0.000 0.675 1427 Y N -0.365 119.964 120.300 0.049 0.000 2.500 1427 Y HA 0.121 4.671 4.550 -0.000 0.000 0.246 1427 Y C 1.848 177.747 175.900 -0.002 0.000 1.146 1427 Y CA -0.480 57.638 58.100 0.029 0.000 1.230 1427 Y CB -0.554 37.916 38.460 0.017 0.000 1.214 1427 Y HN -0.249 nan 8.280 nan 0.000 0.526 1428 Q N 0.000 119.852 119.800 0.087 0.000 2.315 1428 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 1428 Q CA 0.000 55.821 55.803 0.030 0.000 1.022 1428 Q CB 0.000 28.726 28.738 -0.020 0.000 1.108 1428 Q HN 0.000 nan 8.270 nan 0.000 0.481