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 2vg6_1_B DATA FIRST_RESID 1005 DATA SEQUENCE IETVPVKLKP GMDGPKVKQW PLTEEKIKAL VEICTEMEKE GKISKIGPEN DATA SEQUENCE PYNTPVFAIK KKDSTKWRKL VDFRELNKRT QDFWEVQLGI PHPAGLKKKK DATA SEQUENCE SVTVLDVGDA YFSVPLDEDF RKYTAFTIPS INNETPGIRY QYNVLPQGWK DATA SEQUENCE GSPAIFQSSM TKILEPFKKQ NPDIVIYQYM DDLYVGSDLE IGQHRTKIEE DATA SEQUENCE LRQHLLRWGL XXXXXXXXXX XXXXXMGYEL HPDKWTVQPI VLPEKDSWTV DATA SEQUENCE NDIQKLVGKL NWASQIYPGI KVRQLCKLXX XTKALTEVIP LTEEAELELA DATA SEQUENCE ENREILKEPV HGVYYDPSKD LIAEIQKQGQ GQWTYQIYQE PFKNLKTGKY DATA SEQUENCE AXXXXXHTND VKQLTEAVQK ITTESIVIWG KTPKFKLPIQ KETWETWWTE DATA SEQUENCE YWQATWIPEW EFVNTPPLVK LWYQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1005 I HA 0.000 nan 4.170 nan 0.000 0.288 1005 I C 0.000 176.146 176.117 0.049 0.000 1.063 1005 I CA 0.000 61.325 61.300 0.042 0.000 1.566 1005 I CB 0.000 38.020 38.000 0.033 0.000 1.214 1006 E N 1.541 121.767 120.200 0.044 0.000 2.409 1006 E HA 0.308 4.658 4.350 0.001 0.000 0.257 1006 E C -0.693 175.940 176.600 0.056 0.000 1.150 1006 E CA -0.006 56.423 56.400 0.049 0.000 0.942 1006 E CB 0.673 30.399 29.700 0.044 0.000 0.979 1006 E HN 0.515 nan 8.360 nan 0.000 0.447 1007 T N -2.490 112.102 114.554 0.063 0.000 2.936 1007 T HA 0.376 4.726 4.350 0.001 0.000 0.282 1007 T C 0.010 174.753 174.700 0.071 0.000 1.003 1007 T CA -1.035 61.108 62.100 0.072 0.000 1.005 1007 T CB 0.895 69.813 68.868 0.083 0.000 1.097 1007 T HN 0.129 nan 8.240 nan 0.000 0.532 1008 V N 2.857 122.820 119.914 0.082 0.000 2.415 1008 V HA 0.217 4.338 4.120 0.001 0.000 0.267 1008 V C -1.924 174.228 176.094 0.098 0.000 1.042 1008 V CA -1.506 60.853 62.300 0.098 0.000 1.000 1008 V CB 0.151 32.056 31.823 0.136 0.000 1.015 1008 V HN 0.776 nan 8.190 nan 0.000 0.478 1009 P HA -0.023 nan 4.420 nan 0.000 0.218 1009 P C 0.129 177.473 177.300 0.073 0.000 1.473 1009 P CA 0.182 63.333 63.100 0.085 0.000 0.957 1009 P CB -0.595 31.157 31.700 0.086 0.000 1.772 1010 V N 1.698 121.598 119.914 -0.023 0.000 2.644 1010 V HA -0.133 3.987 4.120 0.001 0.000 0.303 1010 V C 1.005 177.006 176.094 -0.156 0.000 1.058 1010 V CA 0.690 62.802 62.300 -0.314 0.000 1.228 1010 V CB -0.469 30.911 31.823 -0.739 0.000 0.861 1010 V HN 0.350 nan 8.190 nan 0.000 0.484 1011 K N 6.477 126.782 120.400 -0.158 0.000 2.471 1011 K HA 0.475 4.795 4.320 0.001 0.000 0.252 1011 K C -0.968 175.639 176.600 0.013 0.000 0.938 1011 K CA -0.753 55.551 56.287 0.030 0.000 0.796 1011 K CB 2.175 34.735 32.500 0.099 0.000 1.161 1011 K HN 0.636 nan 8.250 nan 0.000 0.425 1012 L N 2.721 123.980 121.223 0.060 0.000 2.479 1012 L HA 0.274 4.614 4.340 0.001 0.000 0.248 1012 L C 0.239 177.135 176.870 0.043 0.000 1.205 1012 L CA -0.384 54.467 54.840 0.018 0.000 0.817 1012 L CB 0.565 42.556 42.059 -0.115 0.000 1.162 1012 L HN 0.627 nan 8.230 nan 0.000 0.486 1013 K N 2.656 123.078 120.400 0.036 0.000 2.315 1013 K HA 0.206 4.526 4.320 0.001 0.000 0.291 1013 K C -2.296 174.327 176.600 0.039 0.000 1.074 1013 K CA -1.547 54.766 56.287 0.042 0.000 0.936 1013 K CB 0.103 32.627 32.500 0.040 0.000 1.049 1013 K HN 0.282 nan 8.250 nan 0.000 0.471 1014 P HA -0.100 nan 4.420 nan 0.000 0.263 1014 P C 0.479 177.804 177.300 0.042 0.000 1.175 1014 P CA 0.755 63.883 63.100 0.047 0.000 0.761 1014 P CB 0.525 32.251 31.700 0.043 0.000 0.794 1015 G N 1.993 110.821 108.800 0.047 0.000 2.165 1015 G HA2 -0.098 3.862 3.960 0.001 0.000 0.226 1015 G HA3 -0.098 3.862 3.960 0.001 0.000 0.226 1015 G C -0.206 174.724 174.900 0.050 0.000 1.035 1015 G CA 0.049 45.176 45.100 0.045 0.000 0.744 1015 G HN 0.621 nan 8.290 nan 0.000 0.501 1016 M N -1.722 117.914 119.600 0.059 0.000 2.484 1016 M HA 0.501 4.982 4.480 0.001 0.000 0.292 1016 M C -1.575 174.776 176.300 0.085 0.000 1.123 1016 M CA -1.055 54.286 55.300 0.068 0.000 0.910 1016 M CB 1.130 33.765 32.600 0.058 0.000 1.782 1016 M HN -0.036 nan 8.290 nan 0.000 0.512 1017 D N 1.168 121.643 120.400 0.125 0.000 2.432 1017 D HA 0.722 5.363 4.640 0.001 0.000 0.258 1017 D C 0.600 177.018 176.300 0.197 0.000 1.146 1017 D CA 0.587 54.712 54.000 0.208 0.000 1.015 1017 D CB 1.612 42.571 40.800 0.264 0.000 1.107 1017 D HN 0.804 nan 8.370 nan 0.000 0.529 1018 G N -0.191 108.791 108.800 0.304 0.000 2.661 1018 G HA2 0.249 4.209 3.960 0.001 0.000 0.272 1018 G HA3 0.249 4.209 3.960 0.001 0.000 0.272 1018 G C -2.276 172.784 174.900 0.267 0.000 1.296 1018 G CA -0.565 44.577 45.100 0.071 0.000 0.998 1018 G HN 0.426 nan 8.290 nan 0.000 0.553 1019 P HA 0.389 nan 4.420 nan 0.000 0.290 1019 P C -1.277 176.221 177.300 0.329 0.000 1.275 1019 P CA -0.585 62.667 63.100 0.254 0.000 0.841 1019 P CB 1.406 33.226 31.700 0.199 0.000 1.042 1020 K N 1.517 122.055 120.400 0.230 0.000 2.756 1020 K HA 0.457 4.777 4.320 0.001 0.000 0.218 1020 K C -1.237 175.445 176.600 0.137 0.000 1.057 1020 K CA -0.601 55.788 56.287 0.171 0.000 1.056 1020 K CB 1.454 34.017 32.500 0.106 0.000 1.235 1020 K HN 0.122 nan 8.250 nan 0.000 0.547 1021 V N 2.435 122.439 119.914 0.151 0.000 2.495 1021 V HA 0.267 4.388 4.120 0.001 0.000 0.298 1021 V C -0.068 176.123 176.094 0.162 0.000 1.031 1021 V CA -1.079 61.322 62.300 0.169 0.000 0.871 1021 V CB 1.772 33.728 31.823 0.222 0.000 0.988 1021 V HN 0.494 nan 8.190 nan 0.000 0.432 1022 K N 2.401 122.880 120.400 0.132 0.000 2.440 1022 K HA 0.141 4.461 4.320 0.001 0.000 0.270 1022 K C 0.037 176.748 176.600 0.185 0.000 0.980 1022 K CA 0.174 56.515 56.287 0.091 0.000 0.953 1022 K CB 0.113 32.610 32.500 -0.004 0.000 0.925 1022 K HN 0.677 nan 8.250 nan 0.000 0.497 1023 Q N 2.125 122.008 119.800 0.138 0.000 2.279 1023 Q HA 0.106 4.447 4.340 0.001 0.000 0.256 1023 Q C -1.006 175.140 176.000 0.243 0.000 0.937 1023 Q CA -0.105 55.819 55.803 0.203 0.000 0.933 1023 Q CB 0.477 29.275 28.738 0.099 0.000 1.189 1023 Q HN 0.471 nan 8.270 nan 0.000 0.417 1024 W N 5.568 126.890 121.300 0.036 0.000 2.314 1024 W HA 0.074 4.734 4.660 0.001 0.000 0.339 1024 W C -1.919 174.630 176.519 0.051 0.000 1.293 1024 W CA -1.269 56.147 57.345 0.118 0.000 1.288 1024 W CB 0.472 30.132 29.460 0.334 0.000 1.186 1024 W HN 0.548 nan 8.180 nan 0.000 0.566 1025 P HA 0.072 nan 4.420 nan 0.000 0.271 1025 P C -0.652 176.702 177.300 0.089 0.000 1.233 1025 P CA 0.034 63.175 63.100 0.068 0.000 0.764 1025 P CB 0.447 32.144 31.700 -0.004 0.000 0.825 1026 L N 3.122 124.372 121.223 0.045 0.000 2.342 1026 L HA 0.483 4.823 4.340 0.001 0.000 0.271 1026 L C 0.928 177.766 176.870 -0.055 0.000 1.008 1026 L CA -0.351 54.495 54.840 0.011 0.000 0.818 1026 L CB 1.380 43.444 42.059 0.008 0.000 1.296 1026 L HN 0.339 nan 8.230 nan 0.000 0.427 1027 T N -2.144 112.354 114.554 -0.094 0.000 2.856 1027 T HA 0.103 4.453 4.350 0.001 0.000 0.306 1027 T C 1.040 175.668 174.700 -0.121 0.000 1.062 1027 T CA -0.123 61.911 62.100 -0.109 0.000 1.083 1027 T CB 0.545 69.339 68.868 -0.122 0.000 0.984 1027 T HN 0.724 nan 8.240 nan 0.000 0.542 1028 E N 0.894 121.035 120.200 -0.097 0.000 2.070 1028 E HA -0.291 4.060 4.350 0.001 0.000 0.197 1028 E C 2.026 178.539 176.600 -0.146 0.000 1.004 1028 E CA 2.053 58.395 56.400 -0.097 0.000 0.805 1028 E CB -0.134 29.528 29.700 -0.062 0.000 0.744 1028 E HN 0.945 nan 8.360 nan 0.000 0.451 1029 E N 0.155 120.258 120.200 -0.161 0.000 2.110 1029 E HA -0.216 4.134 4.350 0.001 0.000 0.193 1029 E C 1.977 178.227 176.600 -0.584 0.000 0.988 1029 E CA 1.168 57.417 56.400 -0.251 0.000 0.804 1029 E CB -0.110 29.538 29.700 -0.087 0.000 0.745 1029 E HN 0.047 nan 8.360 nan 0.000 0.458 1030 K N 0.880 120.951 120.400 -0.549 0.000 2.103 1030 K HA 0.042 4.363 4.320 0.001 0.000 0.204 1030 K C 2.023 178.387 176.600 -0.394 0.000 1.052 1030 K CA 1.044 56.956 56.287 -0.624 0.000 0.945 1030 K CB -0.106 32.172 32.500 -0.369 0.000 0.722 1030 K HN 0.205 nan 8.250 nan 0.000 0.443 1031 I N 0.916 121.334 120.570 -0.253 0.000 2.163 1031 I HA -0.295 3.875 4.170 0.001 0.000 0.240 1031 I C 1.917 177.934 176.117 -0.166 0.000 1.081 1031 I CA 1.062 62.266 61.300 -0.161 0.000 1.353 1031 I CB -0.317 37.620 38.000 -0.105 0.000 1.054 1031 I HN 0.078 nan 8.210 nan 0.000 0.407 1032 K N 1.418 121.708 120.400 -0.184 0.000 2.000 1032 K HA -0.245 4.075 4.320 0.001 0.000 0.218 1032 K C 2.246 178.733 176.600 -0.188 0.000 1.053 1032 K CA 1.991 58.185 56.287 -0.155 0.000 0.946 1032 K CB -0.993 31.421 32.500 -0.144 0.000 0.723 1032 K HN 0.363 nan 8.250 nan 0.000 0.446 1033 A N 1.698 124.310 122.820 -0.346 0.000 1.884 1033 A HA -0.202 4.118 4.320 0.001 0.000 0.219 1033 A C 2.510 179.978 177.584 -0.193 0.000 1.197 1033 A CA 1.941 53.759 52.037 -0.365 0.000 0.637 1033 A CB -0.929 17.528 19.000 -0.906 0.000 0.827 1033 A HN 0.254 nan 8.150 nan 0.000 0.450 1034 L N -0.160 120.947 121.223 -0.194 0.000 2.012 1034 L HA -0.199 4.142 4.340 0.001 0.000 0.210 1034 L C 2.772 179.614 176.870 -0.048 0.000 1.073 1034 L CA 1.649 56.433 54.840 -0.092 0.000 0.748 1034 L CB -0.884 41.134 42.059 -0.067 0.000 0.891 1034 L HN 0.503 nan 8.230 nan 0.000 0.431 1035 V N -1.639 118.249 119.914 -0.043 0.000 2.287 1035 V HA -0.303 3.818 4.120 0.001 0.000 0.248 1035 V C 2.288 178.368 176.094 -0.023 0.000 1.053 1035 V CA 2.248 64.545 62.300 -0.006 0.000 1.027 1035 V CB -0.694 31.124 31.823 -0.008 0.000 0.646 1035 V HN 0.644 nan 8.190 nan 0.000 0.447 1036 E N 0.416 120.592 120.200 -0.039 0.000 2.015 1036 E HA -0.247 4.103 4.350 0.001 0.000 0.191 1036 E C 2.277 178.852 176.600 -0.042 0.000 0.991 1036 E CA 1.988 58.369 56.400 -0.032 0.000 0.802 1036 E CB -0.359 29.328 29.700 -0.022 0.000 0.759 1036 E HN 0.679 nan 8.360 nan 0.000 0.447 1037 I N 0.539 121.085 120.570 -0.039 0.000 2.623 1037 I HA -0.290 3.880 4.170 0.001 0.000 0.261 1037 I C 1.711 177.774 176.117 -0.090 0.000 1.204 1037 I CA 0.827 62.103 61.300 -0.040 0.000 1.444 1037 I CB 0.005 37.997 38.000 -0.014 0.000 1.094 1037 I HN 0.359 nan 8.210 nan 0.000 0.451 1038 C N -0.698 118.533 119.300 -0.115 0.000 2.609 1038 C HA 0.038 4.498 4.460 0.001 0.000 0.305 1038 C C 2.594 177.429 174.990 -0.258 0.000 1.319 1038 C CA 0.635 59.513 59.018 -0.234 0.000 1.793 1038 C CB -0.361 27.223 27.740 -0.260 0.000 2.260 1038 C HN 0.472 nan 8.230 nan 0.000 0.535 1039 T N 1.104 115.583 114.554 -0.125 0.000 2.665 1039 T HA -0.179 4.172 4.350 0.001 0.000 0.268 1039 T C 1.699 176.345 174.700 -0.090 0.000 1.035 1039 T CA 1.551 63.607 62.100 -0.073 0.000 1.151 1039 T CB -0.228 68.623 68.868 -0.027 0.000 0.862 1039 T HN 0.549 nan 8.240 nan 0.000 0.438 1040 E N 0.880 121.027 120.200 -0.088 0.000 2.031 1040 E HA -0.071 4.280 4.350 0.001 0.000 0.193 1040 E C 2.338 178.867 176.600 -0.118 0.000 0.994 1040 E CA 0.944 57.295 56.400 -0.081 0.000 0.800 1040 E CB -0.415 29.245 29.700 -0.066 0.000 0.752 1040 E HN 0.495 nan 8.360 nan 0.000 0.447 1041 M N 0.705 120.202 119.600 -0.171 0.000 2.108 1041 M HA -0.256 4.224 4.480 0.001 0.000 0.257 1041 M C 2.384 178.561 176.300 -0.205 0.000 1.071 1041 M CA 2.021 57.184 55.300 -0.228 0.000 1.093 1041 M CB -0.560 31.858 32.600 -0.304 0.000 1.345 1041 M HN 0.184 nan 8.290 nan 0.000 0.403 1042 E N 0.614 120.692 120.200 -0.205 0.000 2.016 1042 E HA -0.259 4.091 4.350 0.001 0.000 0.190 1042 E C 1.846 178.405 176.600 -0.069 0.000 0.985 1042 E CA 1.512 57.835 56.400 -0.128 0.000 0.802 1042 E CB -0.519 29.132 29.700 -0.081 0.000 0.762 1042 E HN 0.279 nan 8.360 nan 0.000 0.448 1043 K N 1.401 121.766 120.400 -0.059 0.000 2.090 1043 K HA -0.256 4.064 4.320 0.001 0.000 0.218 1043 K C 1.834 178.411 176.600 -0.039 0.000 1.055 1043 K CA 2.342 58.605 56.287 -0.039 0.000 0.941 1043 K CB -0.327 32.149 32.500 -0.040 0.000 0.722 1043 K HN 0.180 nan 8.250 nan 0.000 0.458 1044 E N -0.676 119.488 120.200 -0.060 0.000 2.516 1044 E HA 0.027 4.377 4.350 0.001 0.000 0.199 1044 E C 1.211 177.789 176.600 -0.036 0.000 1.069 1044 E CA 0.890 57.260 56.400 -0.051 0.000 0.876 1044 E CB -0.247 29.406 29.700 -0.079 0.000 0.843 1044 E HN 0.658 nan 8.360 nan 0.000 0.530 1045 G N 1.837 110.615 108.800 -0.037 0.000 2.168 1045 G HA2 -0.382 3.578 3.960 0.001 0.000 0.263 1045 G HA3 -0.382 3.578 3.960 0.001 0.000 0.263 1045 G C 1.008 175.906 174.900 -0.002 0.000 0.977 1045 G CA 0.862 45.956 45.100 -0.010 0.000 0.659 1045 G HN 0.354 nan 8.290 nan 0.000 0.533 1046 K N -0.353 120.018 120.400 -0.048 0.000 2.366 1046 K HA 0.319 4.639 4.320 0.001 0.000 0.198 1046 K C 1.354 177.936 176.600 -0.031 0.000 1.044 1046 K CA 1.301 57.572 56.287 -0.026 0.000 0.973 1046 K CB 0.235 32.621 32.500 -0.190 0.000 0.767 1046 K HN 0.874 nan 8.250 nan 0.000 0.475 1047 I N -3.352 117.154 120.570 -0.106 0.000 3.263 1047 I HA 0.369 4.540 4.170 0.001 0.000 0.314 1047 I C -1.621 174.477 176.117 -0.031 0.000 1.269 1047 I CA -0.971 60.257 61.300 -0.121 0.000 0.942 1047 I CB 2.537 40.346 38.000 -0.319 0.000 1.305 1047 I HN -0.151 nan 8.210 nan 0.000 0.474 1048 S N 0.536 116.269 115.700 0.055 0.000 2.543 1048 S HA 0.475 4.945 4.470 0.001 0.000 0.274 1048 S C -0.933 173.742 174.600 0.124 0.000 1.149 1048 S CA -1.269 56.997 58.200 0.111 0.000 0.866 1048 S CB 1.478 64.704 63.200 0.043 0.000 1.111 1048 S HN 0.788 nan 8.310 nan 0.000 0.457 1049 K N 0.895 121.324 120.400 0.049 0.000 2.218 1049 K HA 0.331 4.651 4.320 0.001 0.000 0.250 1049 K C 0.040 176.547 176.600 -0.155 0.000 1.024 1049 K CA 0.229 56.390 56.287 -0.210 0.000 0.842 1049 K CB -0.051 32.300 32.500 -0.248 0.000 1.041 1049 K HN 0.772 nan 8.250 nan 0.000 0.522 1050 I N -3.778 116.668 120.570 -0.208 0.000 2.775 1050 I HA 0.388 4.558 4.170 0.001 0.000 0.295 1050 I C -0.014 176.019 176.117 -0.139 0.000 1.287 1050 I CA -1.146 60.069 61.300 -0.142 0.000 1.029 1050 I CB 1.902 39.828 38.000 -0.125 0.000 1.282 1050 I HN 0.579 nan 8.210 nan 0.000 0.426 1051 G N 3.343 112.082 108.800 -0.102 0.000 2.653 1051 G HA2 0.458 4.418 3.960 0.001 0.000 0.265 1051 G HA3 0.458 4.418 3.960 0.001 0.000 0.265 1051 G C -1.960 172.883 174.900 -0.094 0.000 1.237 1051 G CA -1.056 43.989 45.100 -0.093 0.000 0.946 1051 G HN 0.605 nan 8.290 nan 0.000 0.522 1052 P HA 0.035 nan 4.420 nan 0.000 0.241 1052 P C 1.279 178.529 177.300 -0.082 0.000 1.191 1052 P CA 0.456 63.505 63.100 -0.085 0.000 0.771 1052 P CB 0.242 31.897 31.700 -0.075 0.000 0.929 1053 E N -0.482 119.674 120.200 -0.074 0.000 2.533 1053 E HA -0.103 4.248 4.350 0.001 0.000 0.201 1053 E C -0.084 176.468 176.600 -0.080 0.000 1.097 1053 E CA 0.395 56.752 56.400 -0.071 0.000 0.887 1053 E CB -0.733 28.934 29.700 -0.056 0.000 0.855 1053 E HN 0.102 nan 8.360 nan 0.000 0.540 1054 N N 1.826 120.474 118.700 -0.088 0.000 2.564 1054 N HA 0.145 4.886 4.740 0.001 0.000 0.248 1054 N C -1.828 173.597 175.510 -0.142 0.000 0.986 1054 N CA -2.027 50.973 53.050 -0.082 0.000 0.921 1054 N CB 1.713 40.178 38.487 -0.037 0.000 1.136 1054 N HN -0.120 nan 8.380 nan 0.000 0.509 1055 P HA -0.015 nan 4.420 nan 0.000 0.225 1055 P C -0.123 176.984 177.300 -0.321 0.000 1.156 1055 P CA 0.610 63.497 63.100 -0.356 0.000 0.787 1055 P CB 0.175 31.562 31.700 -0.521 0.000 0.802 1056 Y N 1.033 121.317 120.300 -0.027 0.000 2.379 1056 Y HA 0.356 4.906 4.550 0.001 0.000 0.337 1056 Y C 1.155 177.067 175.900 0.020 0.000 1.238 1056 Y CA 0.098 58.203 58.100 0.009 0.000 1.405 1056 Y CB 0.058 38.522 38.460 0.007 0.000 1.310 1056 Y HN -0.049 nan 8.280 nan 0.000 0.569 1057 N N -0.872 117.961 118.700 0.223 0.000 2.504 1057 N HA 0.507 5.248 4.740 0.001 0.000 0.268 1057 N C -1.916 173.692 175.510 0.164 0.000 1.184 1057 N CA -0.514 52.631 53.050 0.159 0.000 0.875 1057 N CB 1.680 40.226 38.487 0.097 0.000 1.630 1057 N HN 0.543 nan 8.380 nan 0.000 0.486 1058 T N 2.161 116.800 114.554 0.143 0.000 2.893 1058 T HA 0.589 4.940 4.350 0.001 0.000 0.293 1058 T C -2.813 171.890 174.700 0.005 0.000 1.027 1058 T CA -1.014 61.121 62.100 0.058 0.000 0.988 1058 T CB 1.984 70.819 68.868 -0.055 0.000 1.043 1058 T HN 0.341 nan 8.240 nan 0.000 0.461 1059 P HA 0.459 nan 4.420 nan 0.000 0.274 1059 P C -1.024 175.982 177.300 -0.490 0.000 1.237 1059 P CA -0.537 62.441 63.100 -0.203 0.000 0.793 1059 P CB 0.589 32.166 31.700 -0.205 0.000 0.977 1060 V N -1.634 117.837 119.914 -0.739 0.000 3.048 1060 V HA 0.729 4.850 4.120 0.001 0.000 0.303 1060 V C -1.514 174.016 176.094 -0.939 0.000 1.214 1060 V CA -0.831 61.033 62.300 -0.727 0.000 0.984 1060 V CB 1.453 33.053 31.823 -0.371 0.000 1.054 1060 V HN 0.314 nan 8.190 nan 0.000 0.430 1061 F N 1.504 121.394 119.950 -0.101 0.000 2.664 1061 F HA 0.982 5.509 4.527 0.001 0.000 0.329 1061 F C 0.470 176.213 175.800 -0.094 0.000 1.090 1061 F CA -0.531 57.395 58.000 -0.123 0.000 0.978 1061 F CB 1.998 40.870 39.000 -0.212 0.000 1.378 1061 F HN 0.902 nan 8.300 nan 0.000 0.495 1062 A N 1.667 124.547 122.820 0.099 0.000 2.330 1062 A HA 0.878 5.199 4.320 0.001 0.000 0.327 1062 A C -0.728 176.980 177.584 0.206 0.000 1.155 1062 A CA -0.588 51.509 52.037 0.099 0.000 0.803 1062 A CB 0.612 19.553 19.000 -0.098 0.000 1.208 1062 A HN 0.760 nan 8.150 nan 0.000 0.477 1063 I N -1.511 119.219 120.570 0.266 0.000 3.145 1063 I HA 0.727 4.897 4.170 0.001 0.000 0.313 1063 I C -0.878 175.335 176.117 0.159 0.000 1.122 1063 I CA -1.291 60.125 61.300 0.194 0.000 0.987 1063 I CB 2.304 40.365 38.000 0.102 0.000 1.236 1063 I HN 0.484 nan 8.210 nan 0.000 0.453 1064 K N 2.273 122.641 120.400 -0.053 0.000 2.164 1064 K HA 0.456 4.776 4.320 0.001 0.000 0.258 1064 K C -0.200 176.315 176.600 -0.141 0.000 0.951 1064 K CA -0.859 55.302 56.287 -0.210 0.000 0.844 1064 K CB 2.331 34.589 32.500 -0.404 0.000 1.099 1064 K HN 0.467 nan 8.250 nan 0.000 0.435 1065 K N 1.354 121.674 120.400 -0.133 0.000 2.534 1065 K HA -0.082 4.238 4.320 0.001 0.000 0.240 1065 K C 0.193 176.712 176.600 -0.135 0.000 0.708 1065 K CA 0.791 57.011 56.287 -0.112 0.000 0.876 1065 K CB -0.011 32.429 32.500 -0.100 0.000 0.497 1065 K HN 0.269 nan 8.250 nan 0.000 0.997 1066 K N 2.049 122.369 120.400 -0.133 0.000 2.307 1066 K HA -0.022 4.299 4.320 0.001 0.000 0.240 1066 K C -0.514 176.001 176.600 -0.140 0.000 1.214 1066 K CA 0.411 56.612 56.287 -0.144 0.000 1.149 1066 K CB -0.246 32.167 32.500 -0.145 0.000 1.668 1066 K HN 0.592 nan 8.250 nan 0.000 0.314 1067 D N -0.821 119.490 120.400 -0.148 0.000 2.758 1067 D HA -0.201 4.439 4.640 0.001 0.000 0.191 1067 D C -0.023 176.173 176.300 -0.173 0.000 1.036 1067 D CA 1.551 55.460 54.000 -0.152 0.000 1.030 1067 D CB -0.616 40.108 40.800 -0.126 0.000 1.109 1067 D HN 0.360 nan 8.370 nan 0.000 0.430 1068 S N -1.436 114.163 115.700 -0.168 0.000 2.576 1068 S HA 0.296 4.766 4.470 0.001 0.000 0.272 1068 S C 1.672 176.125 174.600 -0.245 0.000 1.352 1068 S CA 0.659 58.757 58.200 -0.170 0.000 1.021 1068 S CB 0.979 64.097 63.200 -0.136 0.000 0.887 1068 S HN 0.433 nan 8.310 nan 0.000 0.542 1069 T N 0.618 115.032 114.554 -0.234 0.000 3.148 1069 T HA 0.140 4.490 4.350 0.001 0.000 0.253 1069 T C 0.485 174.942 174.700 -0.406 0.000 1.134 1069 T CA 0.203 62.109 62.100 -0.323 0.000 1.051 1069 T CB -0.224 68.520 68.868 -0.206 0.000 0.959 1069 T HN 0.550 nan 8.240 nan 0.000 0.525 1070 K N 0.781 121.010 120.400 -0.286 0.000 2.258 1070 K HA 0.305 4.625 4.320 0.001 0.000 0.284 1070 K C -1.230 175.250 176.600 -0.199 0.000 1.051 1070 K CA -0.925 55.248 56.287 -0.191 0.000 0.923 1070 K CB 0.466 32.922 32.500 -0.075 0.000 1.046 1070 K HN 0.346 nan 8.250 nan 0.000 0.474 1071 W N 4.633 125.918 121.300 -0.025 0.000 2.345 1071 W HA 0.205 4.865 4.660 0.001 0.000 0.308 1071 W C 0.412 176.922 176.519 -0.016 0.000 1.273 1071 W CA -0.548 56.782 57.345 -0.025 0.000 1.243 1071 W CB 0.606 30.052 29.460 -0.024 0.000 1.260 1071 W HN 0.495 nan 8.180 nan 0.000 0.509 1072 R N 3.987 124.612 120.500 0.208 0.000 2.312 1072 R HA 0.294 4.635 4.340 0.001 0.000 0.311 1072 R C -0.277 176.119 176.300 0.160 0.000 1.004 1072 R CA -0.745 55.442 56.100 0.145 0.000 0.902 1072 R CB 0.749 31.101 30.300 0.086 0.000 1.073 1072 R HN 0.438 nan 8.270 nan 0.000 0.457 1073 K N 4.428 124.901 120.400 0.122 0.000 2.276 1073 K HA 0.229 4.549 4.320 0.001 0.000 0.283 1073 K C -1.219 175.440 176.600 0.098 0.000 1.044 1073 K CA -0.619 55.719 56.287 0.084 0.000 0.944 1073 K CB 0.802 33.319 32.500 0.029 0.000 1.012 1073 K HN 0.466 nan 8.250 nan 0.000 0.472 1074 L N 6.049 127.333 121.223 0.102 0.000 2.316 1074 L HA 0.323 4.664 4.340 0.001 0.000 0.280 1074 L C -1.419 175.487 176.870 0.060 0.000 1.006 1074 L CA -0.615 54.312 54.840 0.146 0.000 0.836 1074 L CB 1.496 43.703 42.059 0.246 0.000 1.221 1074 L HN 0.506 nan 8.230 nan 0.000 0.418 1075 V N 3.760 123.657 119.914 -0.029 0.000 2.498 1075 V HA 0.291 4.411 4.120 0.001 0.000 0.279 1075 V C -0.056 175.895 176.094 -0.238 0.000 1.048 1075 V CA -0.576 61.543 62.300 -0.302 0.000 0.967 1075 V CB 1.367 32.858 31.823 -0.552 0.000 0.988 1075 V HN 0.724 nan 8.190 nan 0.000 0.473 1076 D N 3.467 123.689 120.400 -0.296 0.000 2.500 1076 D HA 0.254 4.894 4.640 0.001 0.000 0.219 1076 D C 0.180 176.374 176.300 -0.176 0.000 1.137 1076 D CA -0.414 53.531 54.000 -0.092 0.000 0.946 1076 D CB 0.236 41.059 40.800 0.038 0.000 1.022 1076 D HN 0.383 nan 8.370 nan 0.000 0.518 1077 F N 1.776 121.780 119.950 0.090 0.000 2.693 1077 F HA 0.241 4.768 4.527 0.001 0.000 0.303 1077 F C 2.210 178.069 175.800 0.099 0.000 1.143 1077 F CA -0.299 57.768 58.000 0.112 0.000 1.389 1077 F CB -0.062 39.047 39.000 0.182 0.000 1.060 1077 F HN 0.238 nan 8.300 nan 0.000 0.535 1078 R N 0.828 121.431 120.500 0.171 0.000 2.159 1078 R HA -0.290 4.050 4.340 0.001 0.000 0.249 1078 R C 2.251 178.627 176.300 0.127 0.000 1.136 1078 R CA 2.301 58.456 56.100 0.093 0.000 0.951 1078 R CB -0.240 30.046 30.300 -0.024 0.000 0.876 1078 R HN 0.227 nan 8.270 nan 0.000 0.440 1079 E N 0.318 120.601 120.200 0.138 0.000 2.001 1079 E HA -0.191 4.159 4.350 0.001 0.000 0.195 1079 E C 1.907 178.631 176.600 0.206 0.000 1.002 1079 E CA 1.610 58.103 56.400 0.156 0.000 0.819 1079 E CB -0.532 29.260 29.700 0.154 0.000 0.769 1079 E HN 0.347 nan 8.360 nan 0.000 0.454 1080 L N 0.647 122.022 121.223 0.252 0.000 2.085 1080 L HA -0.380 3.960 4.340 0.001 0.000 0.218 1080 L C 1.948 179.027 176.870 0.348 0.000 1.080 1080 L CA 2.231 57.246 54.840 0.293 0.000 0.776 1080 L CB -0.437 41.852 42.059 0.383 0.000 0.891 1080 L HN 0.304 nan 8.230 nan 0.000 0.437 1081 N N -0.961 117.933 118.700 0.324 0.000 2.104 1081 N HA -0.217 4.523 4.740 0.001 0.000 0.190 1081 N C 1.659 177.461 175.510 0.487 0.000 1.024 1081 N CA 1.293 54.490 53.050 0.246 0.000 0.853 1081 N CB 0.046 38.524 38.487 -0.016 0.000 1.008 1081 N HN 0.271 nan 8.380 nan 0.000 0.424 1082 K N 1.188 121.793 120.400 0.341 0.000 2.063 1082 K HA -0.073 4.247 4.320 0.001 0.000 0.208 1082 K C 1.790 178.541 176.600 0.252 0.000 1.048 1082 K CA 1.097 57.559 56.287 0.291 0.000 0.928 1082 K CB -0.342 32.268 32.500 0.182 0.000 0.713 1082 K HN 0.311 nan 8.250 nan 0.000 0.442 1083 R N 0.531 121.169 120.500 0.229 0.000 2.148 1083 R HA -0.046 4.294 4.340 0.001 0.000 0.227 1083 R C 2.188 178.603 176.300 0.191 0.000 1.103 1083 R CA 1.676 57.872 56.100 0.160 0.000 0.983 1083 R CB -0.893 29.467 30.300 0.100 0.000 0.874 1083 R HN 0.507 nan 8.270 nan 0.000 0.451 1084 T N -2.281 112.485 114.554 0.352 0.000 3.031 1084 T HA -0.021 4.330 4.350 0.001 0.000 0.254 1084 T C 1.506 176.397 174.700 0.318 0.000 1.060 1084 T CA -0.213 62.138 62.100 0.419 0.000 1.135 1084 T CB 0.198 69.436 68.868 0.616 0.000 0.896 1084 T HN -0.076 nan 8.240 nan 0.000 0.472 1085 Q N 1.974 121.957 119.800 0.305 0.000 2.733 1085 Q HA -0.363 3.977 4.340 0.001 0.000 0.479 1085 Q C 1.725 177.301 176.000 -0.707 0.000 0.487 1085 Q CA 2.666 58.181 55.803 -0.480 0.000 1.014 1085 Q CB -1.355 27.289 28.738 -0.158 0.000 1.835 1085 Q HN 0.729 nan 8.270 nan 0.000 1.126 1086 D N -0.326 119.864 120.400 -0.350 0.000 2.345 1086 D HA -0.248 4.392 4.640 0.001 0.000 0.190 1086 D C 1.794 177.958 176.300 -0.226 0.000 1.024 1086 D CA 2.542 56.385 54.000 -0.262 0.000 0.893 1086 D CB -0.963 39.770 40.800 -0.112 0.000 0.907 1086 D HN 0.444 nan 8.370 nan 0.000 0.452 1087 F N 1.557 121.362 119.950 -0.242 0.000 2.026 1087 F HA -0.151 4.376 4.527 0.001 0.000 0.296 1087 F C 2.453 178.172 175.800 -0.135 0.000 1.133 1087 F CA 2.676 60.599 58.000 -0.129 0.000 1.188 1087 F CB -0.726 38.264 39.000 -0.017 0.000 0.968 1087 F HN 0.183 nan 8.300 nan 0.000 0.476 1088 W N 0.630 121.934 121.300 0.006 0.000 2.800 1088 W HA 0.075 4.736 4.660 0.001 0.000 0.249 1088 W C 1.580 177.992 176.519 -0.178 0.000 1.294 1088 W CA 0.890 58.127 57.345 -0.180 0.000 1.402 1088 W CB -1.030 28.334 29.460 -0.161 0.000 1.126 1088 W HN 0.340 nan 8.180 nan 0.000 0.652 1089 E N 1.552 121.434 120.200 -0.531 0.000 2.290 1089 E HA -0.100 4.250 4.350 0.001 0.000 0.195 1089 E C 2.057 178.485 176.600 -0.286 0.000 0.938 1089 E CA 0.851 56.976 56.400 -0.459 0.000 1.018 1089 E CB -0.084 29.133 29.700 -0.806 0.000 1.042 1089 E HN -0.019 nan 8.360 nan 0.000 0.483 1090 V N -0.069 119.663 119.914 -0.303 0.000 3.646 1090 V HA 0.114 4.234 4.120 0.001 0.000 0.277 1090 V C 1.349 177.329 176.094 -0.191 0.000 1.274 1090 V CA 0.842 63.020 62.300 -0.204 0.000 1.164 1090 V CB 0.385 32.103 31.823 -0.175 0.000 0.926 1090 V HN 0.150 nan 8.190 nan 0.000 0.442 1091 Q N 0.536 120.184 119.800 -0.253 0.000 2.612 1091 Q HA 0.456 4.796 4.340 0.001 0.000 0.193 1091 Q C 1.385 177.218 176.000 -0.279 0.000 0.828 1091 Q CA 0.882 56.511 55.803 -0.290 0.000 0.851 1091 Q CB 0.233 28.683 28.738 -0.481 0.000 1.178 1091 Q HN 0.568 nan 8.270 nan 0.000 0.634 1092 L N 0.620 121.633 121.223 -0.349 0.000 3.016 1092 L HA 0.529 4.870 4.340 0.001 0.000 0.267 1092 L C 0.693 177.471 176.870 -0.153 0.000 1.182 1092 L CA -0.342 54.343 54.840 -0.258 0.000 0.997 1092 L CB 0.873 42.726 42.059 -0.343 0.000 1.354 1092 L HN 0.211 nan 8.230 nan 0.000 0.569 1093 G N 1.654 110.381 108.800 -0.121 0.000 2.474 1093 G HA2 0.238 4.198 3.960 0.001 0.000 0.233 1093 G HA3 0.238 4.198 3.960 0.001 0.000 0.233 1093 G C -0.073 174.839 174.900 0.021 0.000 1.278 1093 G CA -0.210 44.881 45.100 -0.014 0.000 0.861 1093 G HN 0.173 nan 8.290 nan 0.000 0.567 1094 I N 1.504 122.121 120.570 0.079 0.000 2.365 1094 I HA 0.391 4.561 4.170 0.001 0.000 0.291 1094 I C -1.452 174.785 176.117 0.201 0.000 1.004 1094 I CA -2.424 58.944 61.300 0.114 0.000 1.311 1094 I CB 0.621 38.684 38.000 0.104 0.000 1.401 1094 I HN 0.297 nan 8.210 nan 0.000 0.491 1095 P HA 0.117 nan 4.420 nan 0.000 0.274 1095 P C -0.962 176.490 177.300 0.253 0.000 1.260 1095 P CA -0.049 63.155 63.100 0.173 0.000 0.793 1095 P CB 0.553 32.310 31.700 0.096 0.000 1.048 1096 H N 0.998 120.085 119.070 0.028 0.000 2.589 1096 H HA 0.313 4.869 4.556 0.001 0.000 0.335 1096 H C -2.299 172.911 175.328 -0.198 0.000 1.019 1096 H CA -1.893 54.027 56.048 -0.213 0.000 1.213 1096 H CB 1.504 31.108 29.762 -0.262 0.000 1.472 1096 H HN 0.237 nan 8.280 nan 0.000 0.508 1097 P HA 0.181 nan 4.420 nan 0.000 0.280 1097 P C 0.483 177.603 177.300 -0.300 0.000 1.300 1097 P CA -0.344 62.567 63.100 -0.313 0.000 0.785 1097 P CB 0.965 32.503 31.700 -0.270 0.000 0.874 1098 A N 3.752 126.545 122.820 -0.045 0.000 2.234 1098 A HA -0.043 4.277 4.320 0.001 0.000 0.216 1098 A C 2.134 179.684 177.584 -0.058 0.000 1.167 1098 A CA 1.634 53.675 52.037 0.008 0.000 0.698 1098 A CB -1.082 17.945 19.000 0.045 0.000 0.779 1098 A HN 0.599 nan 8.150 nan 0.000 0.475 1099 G N -0.055 108.688 108.800 -0.094 0.000 2.402 1099 G HA2 -0.096 3.864 3.960 0.001 0.000 0.216 1099 G HA3 -0.096 3.864 3.960 0.001 0.000 0.216 1099 G C 1.363 176.201 174.900 -0.102 0.000 1.162 1099 G CA 0.999 46.049 45.100 -0.083 0.000 0.777 1099 G HN 0.408 nan 8.290 nan 0.000 0.539 1100 L N 2.038 123.170 121.223 -0.153 0.000 1.980 1100 L HA -0.279 4.061 4.340 0.001 0.000 0.232 1100 L C 3.036 179.828 176.870 -0.130 0.000 1.092 1100 L CA 3.028 57.782 54.840 -0.142 0.000 0.808 1100 L CB -0.971 40.954 42.059 -0.223 0.000 0.908 1100 L HN 0.546 nan 8.230 nan 0.000 0.442 1101 K N -1.064 119.255 120.400 -0.135 0.000 2.242 1101 K HA -0.275 4.045 4.320 0.001 0.000 0.206 1101 K C 2.032 178.543 176.600 -0.149 0.000 1.045 1101 K CA 2.159 58.359 56.287 -0.145 0.000 0.930 1101 K CB -0.536 31.893 32.500 -0.117 0.000 0.726 1101 K HN 0.404 nan 8.250 nan 0.000 0.462 1102 K N 0.688 121.023 120.400 -0.109 0.000 2.243 1102 K HA 0.036 4.357 4.320 0.001 0.000 0.201 1102 K C 0.125 176.668 176.600 -0.095 0.000 1.051 1102 K CA 0.294 56.529 56.287 -0.087 0.000 0.970 1102 K CB 0.232 32.697 32.500 -0.058 0.000 0.755 1102 K HN 0.007 nan 8.250 nan 0.000 0.465 1103 K N 1.590 121.931 120.400 -0.099 0.000 2.414 1103 K HA -0.029 4.291 4.320 0.001 0.000 0.272 1103 K C 0.796 177.330 176.600 -0.110 0.000 0.993 1103 K CA 0.527 56.764 56.287 -0.083 0.000 0.964 1103 K CB 0.485 32.951 32.500 -0.058 0.000 0.925 1103 K HN -0.016 nan 8.250 nan 0.000 0.487 1104 K N 0.437 120.787 120.400 -0.084 0.000 2.283 1104 K HA -0.069 4.251 4.320 0.001 0.000 0.202 1104 K C 0.155 176.719 176.600 -0.061 0.000 1.048 1104 K CA 0.822 57.058 56.287 -0.085 0.000 0.948 1104 K CB 0.082 32.540 32.500 -0.071 0.000 0.742 1104 K HN 0.752 nan 8.250 nan 0.000 0.458 1105 S N -1.230 114.417 115.700 -0.088 0.000 2.556 1105 S HA 0.372 4.842 4.470 0.001 0.000 0.280 1105 S C -1.019 173.457 174.600 -0.208 0.000 1.141 1105 S CA -1.209 56.931 58.200 -0.099 0.000 0.883 1105 S CB 1.825 65.136 63.200 0.185 0.000 1.103 1105 S HN -0.173 nan 8.310 nan 0.000 0.453 1106 V N 1.995 121.786 119.914 -0.205 0.000 2.531 1106 V HA 0.633 4.753 4.120 0.001 0.000 0.301 1106 V C -0.107 175.962 176.094 -0.041 0.000 1.034 1106 V CA -0.333 61.936 62.300 -0.052 0.000 0.865 1106 V CB 2.112 33.910 31.823 -0.041 0.000 0.995 1106 V HN 1.051 nan 8.190 nan 0.000 0.424 1107 T N 4.306 118.924 114.554 0.106 0.000 2.875 1107 T HA 0.536 4.886 4.350 0.001 0.000 0.284 1107 T C -0.284 174.324 174.700 -0.154 0.000 0.995 1107 T CA -0.247 61.874 62.100 0.035 0.000 1.060 1107 T CB 1.465 70.412 68.868 0.133 0.000 0.967 1107 T HN 0.380 nan 8.240 nan 0.000 0.476 1108 V N 5.078 124.793 119.914 -0.333 0.000 2.394 1108 V HA 0.466 4.587 4.120 0.001 0.000 0.282 1108 V C -0.170 175.756 176.094 -0.281 0.000 1.031 1108 V CA -0.739 61.231 62.300 -0.551 0.000 0.881 1108 V CB 1.064 32.331 31.823 -0.926 0.000 0.982 1108 V HN 0.687 nan 8.190 nan 0.000 0.451 1109 L N 3.476 124.544 121.223 -0.259 0.000 2.341 1109 L HA 0.512 4.852 4.340 0.001 0.000 0.278 1109 L C -0.430 176.353 176.870 -0.145 0.000 1.005 1109 L CA -0.617 54.135 54.840 -0.146 0.000 0.818 1109 L CB 2.089 44.078 42.059 -0.117 0.000 1.259 1109 L HN 0.596 nan 8.230 nan 0.000 0.418 1110 D N 3.083 123.416 120.400 -0.111 0.000 2.374 1110 D HA 0.115 4.756 4.640 0.001 0.000 0.240 1110 D C -0.480 175.731 176.300 -0.149 0.000 1.229 1110 D CA 0.209 54.138 54.000 -0.118 0.000 0.895 1110 D CB 1.335 42.079 40.800 -0.094 0.000 1.046 1110 D HN 0.142 nan 8.370 nan 0.000 0.498 1111 V N 4.655 124.452 119.914 -0.195 0.000 2.592 1111 V HA 0.499 4.619 4.120 0.001 0.000 0.278 1111 V C 0.962 176.762 176.094 -0.490 0.000 1.087 1111 V CA 0.053 62.195 62.300 -0.262 0.000 1.282 1111 V CB 0.613 32.316 31.823 -0.199 0.000 1.543 1111 V HN 0.653 nan 8.190 nan 0.000 0.606 1112 G N 0.756 109.232 108.800 -0.540 0.000 2.784 1112 G HA2 0.044 4.004 3.960 0.001 0.000 0.208 1112 G HA3 0.044 4.004 3.960 0.001 0.000 0.208 1112 G C 0.679 174.996 174.900 -0.972 0.000 1.120 1112 G CA 0.419 44.946 45.100 -0.954 0.000 0.774 1112 G HN 0.568 nan 8.290 nan 0.000 0.528 1113 D N 1.511 121.602 120.400 -0.515 0.000 2.403 1113 D HA 0.069 4.710 4.640 0.001 0.000 0.227 1113 D C 2.330 178.454 176.300 -0.293 0.000 0.995 1113 D CA 0.743 54.566 54.000 -0.296 0.000 0.928 1113 D CB 0.081 40.868 40.800 -0.021 0.000 0.887 1113 D HN 0.344 nan 8.370 nan 0.000 0.529 1114 A N -0.134 122.377 122.820 -0.516 0.000 1.898 1114 A HA -0.124 4.196 4.320 0.001 0.000 0.214 1114 A C 1.875 179.290 177.584 -0.282 0.000 1.183 1114 A CA 0.557 52.361 52.037 -0.388 0.000 0.622 1114 A CB -0.876 17.763 19.000 -0.601 0.000 0.824 1114 A HN 0.328 nan 8.150 nan 0.000 0.444 1115 Y N -1.280 118.721 120.300 -0.498 0.000 2.139 1115 Y HA -0.285 4.265 4.550 0.001 0.000 0.282 1115 Y C 1.797 177.649 175.900 -0.080 0.000 1.179 1115 Y CA 0.700 58.604 58.100 -0.328 0.000 1.161 1115 Y CB -0.587 37.613 38.460 -0.433 0.000 0.970 1115 Y HN 0.310 nan 8.280 nan 0.000 0.511 1116 F N 0.284 120.331 119.950 0.162 0.000 2.667 1116 F HA -0.177 4.351 4.527 0.001 0.000 0.295 1116 F C 1.862 177.748 175.800 0.143 0.000 1.185 1116 F CA 0.468 58.559 58.000 0.152 0.000 1.479 1116 F CB -0.974 38.093 39.000 0.111 0.000 1.116 1116 F HN -0.002 nan 8.300 nan 0.000 0.606 1117 S N -1.222 114.657 115.700 0.298 0.000 2.438 1117 S HA 0.089 4.559 4.470 0.001 0.000 0.220 1117 S C 0.822 175.568 174.600 0.244 0.000 1.045 1117 S CA -0.122 58.230 58.200 0.252 0.000 0.940 1117 S CB -0.183 63.169 63.200 0.254 0.000 0.863 1117 S HN -0.077 nan 8.310 nan 0.000 0.539 1118 V N 5.335 125.418 119.914 0.282 0.000 2.673 1118 V HA 0.170 4.290 4.120 0.001 0.000 0.303 1118 V C -2.344 173.875 176.094 0.208 0.000 1.046 1118 V CA -1.269 61.174 62.300 0.238 0.000 1.126 1118 V CB 0.046 32.033 31.823 0.273 0.000 0.934 1118 V HN 0.270 nan 8.190 nan 0.000 0.487 1119 P HA 0.324 nan 4.420 nan 0.000 0.282 1119 P C -0.784 176.602 177.300 0.143 0.000 1.249 1119 P CA -0.719 62.473 63.100 0.154 0.000 0.806 1119 P CB 0.998 32.771 31.700 0.123 0.000 0.984 1120 L N 2.591 123.903 121.223 0.148 0.000 2.326 1120 L HA 0.268 4.609 4.340 0.001 0.000 0.278 1120 L C 0.230 177.174 176.870 0.123 0.000 1.092 1120 L CA -0.297 54.621 54.840 0.131 0.000 0.810 1120 L CB -0.152 41.991 42.059 0.140 0.000 1.153 1120 L HN 0.318 nan 8.230 nan 0.000 0.439 1121 D N 3.834 124.298 120.400 0.105 0.000 2.518 1121 D HA -0.115 4.526 4.640 0.001 0.000 0.270 1121 D C 1.068 177.458 176.300 0.149 0.000 1.338 1121 D CA 0.752 54.819 54.000 0.112 0.000 0.983 1121 D CB 0.475 41.325 40.800 0.084 0.000 1.126 1121 D HN 0.703 nan 8.370 nan 0.000 0.543 1122 E N 2.679 122.946 120.200 0.112 0.000 2.113 1122 E HA -0.288 4.062 4.350 0.001 0.000 0.210 1122 E C 0.910 177.563 176.600 0.089 0.000 1.040 1122 E CA 1.841 58.296 56.400 0.092 0.000 0.847 1122 E CB -0.053 29.688 29.700 0.067 0.000 0.755 1122 E HN 0.619 nan 8.360 nan 0.000 0.459 1123 D N -0.934 119.525 120.400 0.099 0.000 2.403 1123 D HA -0.103 4.538 4.640 0.001 0.000 0.227 1123 D C 0.950 177.322 176.300 0.119 0.000 0.995 1123 D CA 0.514 54.565 54.000 0.084 0.000 0.928 1123 D CB -0.151 40.707 40.800 0.097 0.000 0.887 1123 D HN 0.150 nan 8.370 nan 0.000 0.529 1124 F N -0.143 119.814 119.950 0.012 0.000 2.682 1124 F HA 0.230 4.758 4.527 0.001 0.000 0.308 1124 F C 1.593 177.385 175.800 -0.013 0.000 1.093 1124 F CA -0.328 57.714 58.000 0.069 0.000 1.244 1124 F CB 0.384 39.419 39.000 0.059 0.000 1.052 1124 F HN -0.250 nan 8.300 nan 0.000 0.573 1125 R N 1.000 121.509 120.500 0.016 0.000 2.115 1125 R HA -0.130 4.210 4.340 0.001 0.000 0.230 1125 R C 2.071 178.285 176.300 -0.144 0.000 1.111 1125 R CA 1.625 57.721 56.100 -0.005 0.000 0.976 1125 R CB -0.408 29.919 30.300 0.046 0.000 0.870 1125 R HN 0.397 nan 8.270 nan 0.000 0.445 1126 K N 0.082 120.292 120.400 -0.316 0.000 2.147 1126 K HA -0.158 4.162 4.320 0.001 0.000 0.205 1126 K C 1.402 177.757 176.600 -0.409 0.000 1.049 1126 K CA 1.512 57.598 56.287 -0.335 0.000 0.936 1126 K CB -0.441 31.829 32.500 -0.384 0.000 0.722 1126 K HN 0.239 nan 8.250 nan 0.000 0.446 1127 Y N 2.540 122.515 120.300 -0.541 0.000 2.421 1127 Y HA -0.117 4.433 4.550 0.001 0.000 0.292 1127 Y C 2.272 178.015 175.900 -0.262 0.000 1.136 1127 Y CA 1.175 58.892 58.100 -0.639 0.000 1.255 1127 Y CB -0.199 37.621 38.460 -1.065 0.000 0.991 1127 Y HN 0.299 nan 8.280 nan 0.000 0.552 1128 T N -1.937 112.611 114.554 -0.010 0.000 3.235 1128 T HA 0.447 4.798 4.350 0.001 0.000 0.251 1128 T C 0.644 175.587 174.700 0.405 0.000 1.060 1128 T CA -0.127 62.131 62.100 0.263 0.000 0.949 1128 T CB -0.597 68.433 68.868 0.270 0.000 1.020 1128 T HN 0.214 nan 8.240 nan 0.000 0.564 1129 A N 1.738 124.701 122.820 0.239 0.000 2.520 1129 A HA 0.568 4.888 4.320 0.001 0.000 0.245 1129 A C -0.022 177.728 177.584 0.277 0.000 1.072 1129 A CA -0.570 51.583 52.037 0.193 0.000 0.761 1129 A CB -0.452 18.607 19.000 0.098 0.000 1.004 1129 A HN 0.781 nan 8.150 nan 0.000 0.499 1130 F N -0.279 119.714 119.950 0.073 0.000 2.790 1130 F HA 0.908 5.435 4.527 0.001 0.000 0.337 1130 F C -0.340 175.473 175.800 0.021 0.000 1.163 1130 F CA -0.847 57.170 58.000 0.030 0.000 0.997 1130 F CB 1.471 40.476 39.000 0.008 0.000 1.437 1130 F HN 0.350 nan 8.300 nan 0.000 0.512 1131 T N 1.804 116.432 114.554 0.123 0.000 3.172 1131 T HA 0.456 4.806 4.350 0.001 0.000 0.320 1131 T C -0.946 173.809 174.700 0.091 0.000 1.085 1131 T CA -0.405 61.684 62.100 -0.017 0.000 1.052 1131 T CB 1.398 70.254 68.868 -0.021 0.000 1.107 1131 T HN 0.615 nan 8.240 nan 0.000 0.458 1132 I N 5.660 126.264 120.570 0.057 0.000 2.301 1132 I HA 0.278 4.449 4.170 0.001 0.000 0.292 1132 I C -1.713 174.407 176.117 0.004 0.000 1.046 1132 I CA -2.047 59.291 61.300 0.063 0.000 1.282 1132 I CB 0.947 39.001 38.000 0.090 0.000 1.409 1132 I HN 0.340 nan 8.210 nan 0.000 0.484 1133 P HA 0.203 nan 4.420 nan 0.000 0.293 1133 P C -0.746 176.540 177.300 -0.023 0.000 1.298 1133 P CA -0.360 62.734 63.100 -0.011 0.000 0.757 1133 P CB 0.799 32.501 31.700 0.004 0.000 1.262 1134 S N -1.526 114.158 115.700 -0.027 0.000 2.546 1134 S HA 0.558 5.029 4.470 0.001 0.000 0.274 1134 S C -0.048 174.533 174.600 -0.032 0.000 1.121 1134 S CA -0.919 57.261 58.200 -0.033 0.000 0.887 1134 S CB 0.161 63.340 63.200 -0.035 0.000 1.094 1134 S HN 0.324 nan 8.310 nan 0.000 0.474 1135 I N 0.971 121.521 120.570 -0.035 0.000 2.821 1135 I HA 0.218 4.388 4.170 0.001 0.000 0.294 1135 I C 1.177 177.276 176.117 -0.029 0.000 1.210 1135 I CA 0.431 61.711 61.300 -0.033 0.000 1.430 1135 I CB -1.140 36.840 38.000 -0.034 0.000 1.356 1135 I HN 1.057 nan 8.210 nan 0.000 0.563 1136 N N 4.466 123.149 118.700 -0.028 0.000 2.678 1136 N HA -0.351 4.389 4.740 0.001 0.000 0.249 1136 N C -0.027 175.468 175.510 -0.026 0.000 1.119 1136 N CA 0.945 53.979 53.050 -0.026 0.000 0.718 1136 N CB -0.950 37.523 38.487 -0.023 0.000 1.060 1136 N HN 1.001 nan 8.380 nan 0.000 0.552 1137 N N -0.946 117.737 118.700 -0.028 0.000 2.716 1137 N HA -0.226 4.515 4.740 0.001 0.000 0.250 1137 N C -0.004 175.488 175.510 -0.030 0.000 1.033 1137 N CA 0.929 53.961 53.050 -0.030 0.000 0.727 1137 N CB -0.572 37.898 38.487 -0.029 0.000 0.950 1137 N HN 0.623 nan 8.380 nan 0.000 0.541 1138 E N -0.468 119.715 120.200 -0.029 0.000 2.371 1138 E HA -0.018 4.332 4.350 0.001 0.000 0.194 1138 E C 0.670 177.252 176.600 -0.031 0.000 1.012 1138 E CA 1.096 57.479 56.400 -0.028 0.000 0.860 1138 E CB 0.369 30.053 29.700 -0.026 0.000 0.811 1138 E HN 0.537 nan 8.360 nan 0.000 0.502 1139 T N -3.140 111.393 114.554 -0.035 0.000 2.933 1139 T HA 0.266 4.616 4.350 0.001 0.000 0.305 1139 T C -2.406 172.266 174.700 -0.047 0.000 1.092 1139 T CA -2.021 60.054 62.100 -0.040 0.000 1.008 1139 T CB 1.879 70.723 68.868 -0.040 0.000 1.102 1139 T HN -0.348 nan 8.240 nan 0.000 0.469 1140 P HA 0.069 nan 4.420 nan 0.000 0.216 1140 P C 0.798 178.057 177.300 -0.068 0.000 1.167 1140 P CA 2.306 65.369 63.100 -0.062 0.000 0.933 1140 P CB -0.467 31.190 31.700 -0.072 0.000 0.793 1141 G N -1.658 107.095 108.800 -0.079 0.000 3.326 1141 G HA2 0.028 3.988 3.960 0.001 0.000 0.681 1141 G HA3 0.028 3.988 3.960 0.001 0.000 0.681 1141 G C -0.776 174.045 174.900 -0.132 0.000 1.255 1141 G CA -0.951 44.099 45.100 -0.084 0.000 0.976 1141 G HN 0.096 nan 8.290 nan 0.000 0.563 1142 I N 1.759 122.243 120.570 -0.144 0.000 2.775 1142 I HA 0.293 4.463 4.170 0.001 0.000 0.290 1142 I C 1.232 177.116 176.117 -0.388 0.000 1.203 1142 I CA 0.666 61.800 61.300 -0.276 0.000 1.433 1142 I CB 0.405 38.284 38.000 -0.201 0.000 1.354 1142 I HN 0.468 nan 8.210 nan 0.000 0.579 1143 R N 5.263 125.411 120.500 -0.587 0.000 2.534 1143 R HA 0.623 4.964 4.340 0.001 0.000 0.301 1143 R C -1.334 174.467 176.300 -0.831 0.000 0.961 1143 R CA -0.734 55.022 56.100 -0.573 0.000 0.871 1143 R CB 1.649 31.741 30.300 -0.347 0.000 1.170 1143 R HN 0.502 nan 8.270 nan 0.000 0.446 1144 Y N 0.325 120.196 120.300 -0.715 0.000 2.693 1144 Y HA 0.417 4.967 4.550 0.001 0.000 0.331 1144 Y C -0.209 175.368 175.900 -0.539 0.000 1.092 1144 Y CA -0.731 56.953 58.100 -0.693 0.000 1.131 1144 Y CB 2.322 40.246 38.460 -0.893 0.000 1.318 1144 Y HN 0.421 nan 8.280 nan 0.000 0.510 1145 Q N 0.020 119.797 119.800 -0.039 0.000 2.426 1145 Q HA 0.367 4.708 4.340 0.001 0.000 0.278 1145 Q C -2.362 173.707 176.000 0.115 0.000 1.007 1145 Q CA -0.743 55.114 55.803 0.089 0.000 0.850 1145 Q CB 1.755 30.514 28.738 0.035 0.000 1.427 1145 Q HN 0.717 nan 8.270 nan 0.000 0.391 1146 Y N 2.201 122.638 120.300 0.228 0.000 2.313 1146 Y HA 0.233 4.784 4.550 0.001 0.000 0.332 1146 Y C 0.258 176.233 175.900 0.126 0.000 1.071 1146 Y CA -0.029 58.189 58.100 0.196 0.000 1.169 1146 Y CB 1.121 39.707 38.460 0.211 0.000 1.192 1146 Y HN 0.701 nan 8.280 nan 0.000 0.487 1147 N N 1.443 120.303 118.700 0.267 0.000 2.458 1147 N HA 0.341 5.081 4.740 0.001 0.000 0.274 1147 N C -1.354 174.294 175.510 0.230 0.000 1.242 1147 N CA -0.212 52.957 53.050 0.199 0.000 0.904 1147 N CB 0.381 38.944 38.487 0.126 0.000 1.206 1147 N HN 0.247 nan 8.380 nan 0.000 0.510 1148 V N -4.710 115.393 119.914 0.315 0.000 3.253 1148 V HA 0.457 4.577 4.120 0.001 0.000 0.300 1148 V C -0.559 175.688 176.094 0.255 0.000 1.398 1148 V CA -1.537 60.947 62.300 0.307 0.000 1.067 1148 V CB 1.187 33.254 31.823 0.406 0.000 1.102 1148 V HN -0.028 nan 8.190 nan 0.000 0.455 1149 L N 3.545 124.895 121.223 0.211 0.000 2.597 1149 L HA 0.317 4.657 4.340 0.001 0.000 0.271 1149 L C -1.977 174.895 176.870 0.004 0.000 1.157 1149 L CA -0.996 53.901 54.840 0.095 0.000 0.928 1149 L CB 0.264 42.340 42.059 0.028 0.000 1.216 1149 L HN 0.540 nan 8.230 nan 0.000 0.481 1150 P HA 0.103 nan 4.420 nan 0.000 0.274 1150 P C -0.346 176.867 177.300 -0.144 0.000 1.237 1150 P CA -0.470 62.347 63.100 -0.471 0.000 0.793 1150 P CB 1.219 32.395 31.700 -0.874 0.000 0.977 1151 Q N 1.330 121.119 119.800 -0.019 0.000 1.838 1151 Q HA -0.008 4.333 4.340 0.001 0.000 0.242 1151 Q C 2.273 178.371 176.000 0.163 0.000 0.966 1151 Q CA 1.486 57.360 55.803 0.118 0.000 0.870 1151 Q CB -1.215 27.562 28.738 0.065 0.000 0.911 1151 Q HN 0.672 nan 8.270 nan 0.000 0.434 1152 G N 0.428 109.399 108.800 0.285 0.000 2.621 1152 G HA2 -0.210 3.750 3.960 0.001 0.000 0.215 1152 G HA3 -0.210 3.750 3.960 0.001 0.000 0.215 1152 G C -0.279 174.791 174.900 0.284 0.000 1.127 1152 G CA -0.036 45.268 45.100 0.339 0.000 0.747 1152 G HN 0.255 nan 8.290 nan 0.000 0.561 1153 W N 0.713 121.858 121.300 -0.258 0.000 2.322 1153 W HA 0.510 5.170 4.660 0.001 0.000 0.307 1153 W C 1.026 177.250 176.519 -0.492 0.000 1.220 1153 W CA -1.496 55.499 57.345 -0.583 0.000 1.210 1153 W CB 0.863 29.708 29.460 -1.025 0.000 1.223 1153 W HN -0.100 nan 8.180 nan 0.000 0.511 1154 K N 3.005 122.775 120.400 -1.049 0.000 2.439 1154 K HA -0.006 4.314 4.320 0.001 0.000 0.197 1154 K C 1.955 177.734 176.600 -1.368 0.000 1.041 1154 K CA 0.940 56.478 56.287 -1.248 0.000 0.970 1154 K CB 0.013 31.396 32.500 -1.861 0.000 0.773 1154 K HN 0.752 nan 8.250 nan 0.000 0.479 1155 G N 0.104 107.521 108.800 -2.304 0.000 2.511 1155 G HA2 -0.151 3.809 3.960 0.001 0.000 0.217 1155 G HA3 -0.151 3.809 3.960 0.001 0.000 0.217 1155 G C 1.364 175.507 174.900 -1.262 0.000 1.133 1155 G CA 0.291 44.074 45.100 -2.195 0.000 0.792 1155 G HN 0.146 nan 8.290 nan 0.000 0.539 1156 S N 1.790 116.872 115.700 -1.031 0.000 2.338 1156 S HA -0.058 4.413 4.470 0.001 0.000 0.218 1156 S C 0.067 174.271 174.600 -0.660 0.000 1.032 1156 S CA 1.397 59.166 58.200 -0.718 0.000 0.999 1156 S CB -0.933 61.640 63.200 -1.044 0.000 0.905 1156 S HN 0.268 nan 8.310 nan 0.000 0.439 1157 P HA -0.068 nan 4.420 nan 0.000 0.215 1157 P C 1.544 178.770 177.300 -0.122 0.000 1.157 1157 P CA 1.606 64.563 63.100 -0.238 0.000 0.868 1157 P CB -0.215 31.370 31.700 -0.192 0.000 0.788 1158 A N -0.752 121.964 122.820 -0.174 0.000 1.927 1158 A HA -0.234 4.087 4.320 0.001 0.000 0.220 1158 A C 2.233 179.760 177.584 -0.095 0.000 1.185 1158 A CA 1.833 53.797 52.037 -0.122 0.000 0.639 1158 A CB -1.685 17.228 19.000 -0.146 0.000 0.820 1158 A HN 0.121 nan 8.150 nan 0.000 0.451 1159 I N -2.547 117.977 120.570 -0.076 0.000 2.130 1159 I HA -0.166 4.004 4.170 0.001 0.000 0.234 1159 I C 2.299 178.426 176.117 0.016 0.000 1.067 1159 I CA 1.574 62.869 61.300 -0.008 0.000 1.339 1159 I CB -0.561 37.464 38.000 0.042 0.000 1.073 1159 I HN 0.387 nan 8.210 nan 0.000 0.405 1160 F N 2.000 121.891 119.950 -0.099 0.000 2.225 1160 F HA -0.328 4.199 4.527 0.001 0.000 0.302 1160 F C 2.588 178.389 175.800 0.002 0.000 1.068 1160 F CA 1.632 59.622 58.000 -0.017 0.000 1.327 1160 F CB -0.359 38.662 39.000 0.035 0.000 1.043 1160 F HN 0.164 nan 8.300 nan 0.000 0.506 1161 Q N 1.337 121.184 119.800 0.079 0.000 1.954 1161 Q HA -0.396 3.945 4.340 0.001 0.000 0.222 1161 Q C 2.449 178.388 176.000 -0.101 0.000 1.053 1161 Q CA 3.330 59.142 55.803 0.017 0.000 0.900 1161 Q CB -1.410 27.318 28.738 -0.016 0.000 1.021 1161 Q HN 0.577 nan 8.270 nan 0.000 0.423 1162 S N -0.276 115.354 115.700 -0.117 0.000 2.390 1162 S HA -0.268 4.202 4.470 0.001 0.000 0.234 1162 S C 2.192 176.679 174.600 -0.188 0.000 1.063 1162 S CA 2.584 60.711 58.200 -0.123 0.000 1.108 1162 S CB -1.026 62.114 63.200 -0.099 0.000 0.975 1162 S HN 0.472 nan 8.310 nan 0.000 0.442 1163 S N 2.028 117.513 115.700 -0.358 0.000 2.359 1163 S HA -0.169 4.302 4.470 0.001 0.000 0.222 1163 S C 1.867 176.243 174.600 -0.374 0.000 1.038 1163 S CA 1.811 59.726 58.200 -0.475 0.000 1.051 1163 S CB -0.690 61.921 63.200 -0.982 0.000 0.944 1163 S HN 0.553 nan 8.310 nan 0.000 0.433 1164 M N 2.043 121.396 119.600 -0.412 0.000 2.088 1164 M HA -0.179 4.301 4.480 0.001 0.000 0.256 1164 M C 1.988 178.264 176.300 -0.039 0.000 1.071 1164 M CA 1.916 57.232 55.300 0.027 0.000 1.097 1164 M CB -1.586 31.177 32.600 0.273 0.000 1.315 1164 M HN 0.307 nan 8.290 nan 0.000 0.406 1165 T N 0.922 115.443 114.554 -0.055 0.000 2.570 1165 T HA -0.264 4.086 4.350 0.001 0.000 0.266 1165 T C 1.834 176.487 174.700 -0.079 0.000 1.071 1165 T CA 2.061 64.130 62.100 -0.051 0.000 1.172 1165 T CB -0.535 68.306 68.868 -0.044 0.000 0.864 1165 T HN 0.398 nan 8.240 nan 0.000 0.421 1166 K N 1.168 121.518 120.400 -0.083 0.000 2.020 1166 K HA -0.119 4.202 4.320 0.001 0.000 0.212 1166 K C 2.331 178.827 176.600 -0.175 0.000 1.050 1166 K CA 1.646 57.892 56.287 -0.068 0.000 0.929 1166 K CB -0.724 31.774 32.500 -0.002 0.000 0.714 1166 K HN 0.428 nan 8.250 nan 0.000 0.443 1167 I N 1.341 121.739 120.570 -0.287 0.000 2.300 1167 I HA -0.321 3.849 4.170 0.001 0.000 0.252 1167 I C 2.164 177.946 176.117 -0.557 0.000 1.119 1167 I CA 1.211 62.089 61.300 -0.703 0.000 1.384 1167 I CB -0.197 37.513 38.000 -0.485 0.000 1.062 1167 I HN 0.158 nan 8.210 nan 0.000 0.426 1168 L N -0.691 120.360 121.223 -0.286 0.000 2.375 1168 L HA -0.023 4.317 4.340 0.001 0.000 0.215 1168 L C 2.402 179.182 176.870 -0.150 0.000 1.108 1168 L CA 0.082 54.802 54.840 -0.200 0.000 0.830 1168 L CB -0.558 41.453 42.059 -0.080 0.000 0.959 1168 L HN 0.135 nan 8.230 nan 0.000 0.457 1169 E N 1.530 121.650 120.200 -0.135 0.000 2.094 1169 E HA -0.245 4.106 4.350 0.001 0.000 0.232 1169 E C -0.425 176.129 176.600 -0.076 0.000 1.055 1169 E CA 2.374 58.725 56.400 -0.082 0.000 0.923 1169 E CB -1.486 28.182 29.700 -0.053 0.000 0.815 1169 E HN 0.182 nan 8.360 nan 0.000 0.502 1170 P HA -0.177 nan 4.420 nan 0.000 0.216 1170 P C 1.661 178.941 177.300 -0.034 0.000 1.167 1170 P CA 1.778 64.874 63.100 -0.008 0.000 0.914 1170 P CB -0.443 31.300 31.700 0.072 0.000 0.793 1171 F N 1.147 120.888 119.950 -0.347 0.000 2.011 1171 F HA -0.257 4.270 4.527 0.001 0.000 0.296 1171 F C 2.102 177.790 175.800 -0.186 0.000 1.144 1171 F CA 1.874 59.655 58.000 -0.365 0.000 1.185 1171 F CB -0.986 37.629 39.000 -0.641 0.000 0.961 1171 F HN -0.224 nan 8.300 nan 0.000 0.485 1172 K N 0.172 120.455 120.400 -0.194 0.000 2.034 1172 K HA -0.319 4.001 4.320 0.001 0.000 0.214 1172 K C 2.174 178.644 176.600 -0.217 0.000 1.051 1172 K CA 2.221 58.366 56.287 -0.237 0.000 0.931 1172 K CB -0.482 31.963 32.500 -0.092 0.000 0.715 1172 K HN 0.260 nan 8.250 nan 0.000 0.446 1173 K N 1.368 121.686 120.400 -0.137 0.000 2.107 1173 K HA -0.255 4.065 4.320 0.001 0.000 0.211 1173 K C 1.837 178.366 176.600 -0.119 0.000 1.049 1173 K CA 2.007 58.235 56.287 -0.098 0.000 0.927 1173 K CB 0.025 32.492 32.500 -0.054 0.000 0.714 1173 K HN 0.278 nan 8.250 nan 0.000 0.452 1174 Q N -0.292 119.410 119.800 -0.162 0.000 2.444 1174 Q HA 0.039 4.380 4.340 0.001 0.000 0.206 1174 Q C -0.398 175.475 176.000 -0.211 0.000 0.948 1174 Q CA 0.411 56.127 55.803 -0.146 0.000 0.946 1174 Q CB 0.290 28.972 28.738 -0.093 0.000 1.027 1174 Q HN 0.367 nan 8.270 nan 0.000 0.513 1175 N N 1.099 119.623 118.700 -0.293 0.000 2.666 1175 N HA 0.115 4.856 4.740 0.001 0.000 0.253 1175 N C -2.835 172.548 175.510 -0.212 0.000 1.621 1175 N CA -0.858 52.032 53.050 -0.267 0.000 0.785 1175 N CB 0.981 39.238 38.487 -0.382 0.000 1.332 1175 N HN -0.004 nan 8.380 nan 0.000 0.514 1176 P HA 0.064 nan 4.420 nan 0.000 0.233 1176 P C -0.400 176.850 177.300 -0.083 0.000 1.576 1176 P CA 0.865 63.903 63.100 -0.104 0.000 0.962 1176 P CB 0.211 31.866 31.700 -0.075 0.000 1.859 1177 D N -1.284 119.060 120.400 -0.093 0.000 2.059 1177 D HA 0.083 4.724 4.640 0.001 0.000 0.398 1177 D C 0.720 176.988 176.300 -0.053 0.000 1.003 1177 D CA 0.049 54.011 54.000 -0.063 0.000 0.916 1177 D CB 0.272 41.039 40.800 -0.055 0.000 1.647 1177 D HN 0.104 nan 8.370 nan 0.000 0.529 1178 I N 2.591 123.113 120.570 -0.080 0.000 2.618 1178 I HA 0.066 4.237 4.170 0.001 0.000 0.284 1178 I C 0.313 176.420 176.117 -0.016 0.000 1.146 1178 I CA 0.163 61.440 61.300 -0.038 0.000 1.425 1178 I CB 0.823 38.777 38.000 -0.076 0.000 1.383 1178 I HN -0.285 nan 8.210 nan 0.000 0.562 1179 V N 8.045 127.970 119.914 0.019 0.000 2.350 1179 V HA 0.400 4.521 4.120 0.001 0.000 0.285 1179 V C 0.185 176.319 176.094 0.066 0.000 1.014 1179 V CA -0.528 61.784 62.300 0.019 0.000 0.831 1179 V CB 1.359 33.175 31.823 -0.012 0.000 1.000 1179 V HN 0.401 nan 8.190 nan 0.000 0.433 1180 I N 5.687 126.307 120.570 0.083 0.000 2.307 1180 I HA 0.358 4.529 4.170 0.001 0.000 0.289 1180 I C -0.536 175.686 176.117 0.174 0.000 1.021 1180 I CA -0.506 60.870 61.300 0.126 0.000 1.224 1180 I CB 0.766 38.829 38.000 0.105 0.000 1.376 1180 I HN 0.548 nan 8.210 nan 0.000 0.470 1181 Y N 6.463 126.795 120.300 0.052 0.000 2.403 1181 Y HA 0.432 4.983 4.550 0.001 0.000 0.323 1181 Y C -0.313 175.671 175.900 0.140 0.000 1.226 1181 Y CA -1.037 57.080 58.100 0.027 0.000 1.235 1181 Y CB 1.306 39.709 38.460 -0.095 0.000 1.248 1181 Y HN 0.516 nan 8.280 nan 0.000 0.489 1182 Q N 4.543 123.972 119.800 -0.619 0.000 2.275 1182 Q HA 0.295 4.635 4.340 0.001 0.000 0.266 1182 Q C -2.484 173.136 176.000 -0.634 0.000 1.002 1182 Q CA -0.749 54.819 55.803 -0.391 0.000 0.761 1182 Q CB 1.366 30.032 28.738 -0.120 0.000 1.255 1182 Q HN 0.744 nan 8.270 nan 0.000 0.446 1183 Y N 5.479 125.530 120.300 -0.416 0.000 2.329 1183 Y HA 0.411 4.962 4.550 0.001 0.000 0.328 1183 Y C -0.798 175.132 175.900 0.051 0.000 0.992 1183 Y CA -0.626 57.336 58.100 -0.231 0.000 1.151 1183 Y CB 1.105 39.423 38.460 -0.237 0.000 1.150 1183 Y HN 0.805 nan 8.280 nan 0.000 0.450 1184 M N 5.977 125.308 119.600 -0.449 0.000 4.046 1184 M HA -0.353 4.128 4.480 0.001 0.000 0.157 1184 M C 0.316 176.644 176.300 0.047 0.000 1.532 1184 M CA 1.719 56.874 55.300 -0.242 0.000 1.097 1184 M CB -0.283 32.107 32.600 -0.350 0.000 1.346 1184 M HN 0.916 nan 8.290 nan 0.000 0.191 1185 D N -0.785 119.668 120.400 0.089 0.000 2.729 1185 D HA -0.198 4.443 4.640 0.001 0.000 0.190 1185 D C -0.278 175.988 176.300 -0.057 0.000 1.089 1185 D CA 2.521 56.508 54.000 -0.021 0.000 1.041 1185 D CB -0.532 40.277 40.800 0.015 0.000 1.112 1185 D HN 0.738 nan 8.370 nan 0.000 0.413 1186 D N -0.538 119.901 120.400 0.065 0.000 2.433 1186 D HA 0.523 5.163 4.640 0.001 0.000 0.236 1186 D C -0.115 176.233 176.300 0.080 0.000 1.026 1186 D CA -0.506 53.514 54.000 0.033 0.000 0.884 1186 D CB 1.517 42.352 40.800 0.058 0.000 1.384 1186 D HN -0.033 nan 8.370 nan 0.000 0.477 1187 L N 1.889 123.088 121.223 -0.040 0.000 2.313 1187 L HA 0.369 4.709 4.340 0.001 0.000 0.283 1187 L C -1.055 175.799 176.870 -0.026 0.000 1.013 1187 L CA -0.777 54.086 54.840 0.038 0.000 0.816 1187 L CB 1.002 43.054 42.059 -0.012 0.000 1.236 1187 L HN 0.314 nan 8.230 nan 0.000 0.419 1188 Y N 3.445 123.761 120.300 0.027 0.000 2.353 1188 Y HA 0.436 4.986 4.550 0.001 0.000 0.340 1188 Y C 0.104 176.041 175.900 0.061 0.000 0.972 1188 Y CA -0.778 57.353 58.100 0.052 0.000 1.157 1188 Y CB 1.961 40.495 38.460 0.122 0.000 1.157 1188 Y HN 0.278 nan 8.280 nan 0.000 0.495 1189 V N 3.402 123.400 119.914 0.140 0.000 2.588 1189 V HA 0.977 5.097 4.120 0.001 0.000 0.304 1189 V C -0.482 175.705 176.094 0.154 0.000 1.042 1189 V CA -0.234 62.145 62.300 0.131 0.000 0.877 1189 V CB 1.395 33.276 31.823 0.097 0.000 0.996 1189 V HN 0.799 nan 8.190 nan 0.000 0.425 1190 G N 3.814 112.694 108.800 0.134 0.000 2.519 1190 G HA2 0.784 4.745 3.960 0.001 0.000 0.307 1190 G HA3 0.784 4.745 3.960 0.001 0.000 0.307 1190 G C -0.771 174.205 174.900 0.127 0.000 1.266 1190 G CA -0.147 45.028 45.100 0.125 0.000 0.970 1190 G HN 1.705 nan 8.290 nan 0.000 0.481 1191 S N -0.508 115.277 115.700 0.142 0.000 2.537 1191 S HA 0.375 4.845 4.470 0.001 0.000 0.271 1191 S C -0.844 173.791 174.600 0.058 0.000 1.148 1191 S CA -0.717 57.554 58.200 0.118 0.000 0.868 1191 S CB 2.157 65.479 63.200 0.204 0.000 1.115 1191 S HN 0.370 nan 8.310 nan 0.000 0.461 1192 D N 1.614 122.029 120.400 0.025 0.000 2.328 1192 D HA 0.190 4.830 4.640 0.001 0.000 0.226 1192 D C 0.231 176.538 176.300 0.010 0.000 1.066 1192 D CA 0.191 54.190 54.000 -0.002 0.000 0.861 1192 D CB 0.002 40.794 40.800 -0.014 0.000 0.912 1192 D HN 0.487 nan 8.370 nan 0.000 0.521 1193 L N 1.990 123.242 121.223 0.048 0.000 2.455 1193 L HA 0.045 4.385 4.340 0.001 0.000 0.272 1193 L C 1.141 178.043 176.870 0.053 0.000 1.174 1193 L CA -0.157 54.717 54.840 0.058 0.000 0.869 1193 L CB 0.446 42.560 42.059 0.091 0.000 1.130 1193 L HN -0.160 nan 8.230 nan 0.000 0.474 1194 E N 2.283 122.501 120.200 0.029 0.000 2.521 1194 E HA -0.159 4.192 4.350 0.001 0.000 0.270 1194 E C 0.947 177.579 176.600 0.053 0.000 1.082 1194 E CA -0.286 56.125 56.400 0.018 0.000 0.997 1194 E CB 0.538 30.245 29.700 0.013 0.000 0.990 1194 E HN 0.391 nan 8.360 nan 0.000 0.458 1195 I N 2.120 122.711 120.570 0.035 0.000 2.069 1195 I HA -0.243 3.927 4.170 0.001 0.000 0.237 1195 I C 2.425 178.618 176.117 0.128 0.000 1.053 1195 I CA 1.983 63.331 61.300 0.080 0.000 1.311 1195 I CB -1.957 36.071 38.000 0.047 0.000 1.030 1195 I HN 0.807 nan 8.210 nan 0.000 0.398 1196 G N 0.302 109.150 108.800 0.079 0.000 2.679 1196 G HA2 -0.355 3.605 3.960 0.001 0.000 0.222 1196 G HA3 -0.355 3.605 3.960 0.001 0.000 0.222 1196 G C 1.545 176.494 174.900 0.082 0.000 1.164 1196 G CA 1.535 46.678 45.100 0.071 0.000 0.769 1196 G HN 0.641 nan 8.290 nan 0.000 0.610 1197 Q N -0.903 118.948 119.800 0.085 0.000 2.083 1197 Q HA -0.028 4.313 4.340 0.001 0.000 0.198 1197 Q C 2.216 178.280 176.000 0.107 0.000 0.969 1197 Q CA 1.242 57.093 55.803 0.080 0.000 0.838 1197 Q CB -0.344 28.433 28.738 0.066 0.000 0.900 1197 Q HN 0.778 nan 8.270 nan 0.000 0.436 1198 H N 1.752 120.850 119.070 0.046 0.000 2.254 1198 H HA -0.124 4.433 4.556 0.001 0.000 0.294 1198 H C 2.104 177.470 175.328 0.063 0.000 1.071 1198 H CA 2.255 58.338 56.048 0.058 0.000 1.228 1198 H CB 0.109 29.907 29.762 0.059 0.000 1.358 1198 H HN 0.027 nan 8.280 nan 0.000 0.495 1199 R N -0.466 120.119 120.500 0.142 0.000 2.159 1199 R HA -0.197 4.144 4.340 0.001 0.000 0.252 1199 R C 2.379 178.674 176.300 -0.008 0.000 1.144 1199 R CA 2.028 58.163 56.100 0.059 0.000 0.961 1199 R CB -1.353 29.012 30.300 0.108 0.000 0.877 1199 R HN 0.460 nan 8.270 nan 0.000 0.444 1200 T N 1.448 116.015 114.554 0.022 0.000 2.595 1200 T HA -0.133 4.217 4.350 0.001 0.000 0.264 1200 T C 1.826 176.537 174.700 0.018 0.000 1.058 1200 T CA 1.553 63.667 62.100 0.023 0.000 1.166 1200 T CB -0.154 68.738 68.868 0.041 0.000 0.863 1200 T HN 0.070 nan 8.240 nan 0.000 0.415 1201 K N 1.076 121.493 120.400 0.029 0.000 2.113 1201 K HA 0.014 4.334 4.320 0.001 0.000 0.208 1201 K C 2.034 178.667 176.600 0.056 0.000 1.047 1201 K CA 0.694 57.046 56.287 0.108 0.000 0.928 1201 K CB -0.863 31.704 32.500 0.113 0.000 0.716 1201 K HN 0.266 nan 8.250 nan 0.000 0.446 1202 I N 0.893 121.394 120.570 -0.114 0.000 2.163 1202 I HA -0.242 3.928 4.170 0.001 0.000 0.240 1202 I C 1.931 177.973 176.117 -0.126 0.000 1.081 1202 I CA 1.735 62.936 61.300 -0.165 0.000 1.353 1202 I CB -0.617 37.233 38.000 -0.250 0.000 1.054 1202 I HN 0.194 nan 8.210 nan 0.000 0.407 1203 E N 1.451 121.605 120.200 -0.078 0.000 2.085 1203 E HA -0.318 4.032 4.350 0.001 0.000 0.194 1203 E C 2.117 178.683 176.600 -0.057 0.000 0.994 1203 E CA 2.220 58.588 56.400 -0.054 0.000 0.801 1203 E CB -0.526 29.160 29.700 -0.024 0.000 0.743 1203 E HN 0.620 nan 8.360 nan 0.000 0.453 1204 E N -0.404 119.778 120.200 -0.031 0.000 2.058 1204 E HA -0.227 4.123 4.350 0.001 0.000 0.194 1204 E C 2.188 178.729 176.600 -0.098 0.000 0.997 1204 E CA 1.398 57.798 56.400 -0.001 0.000 0.801 1204 E CB -0.361 29.410 29.700 0.119 0.000 0.746 1204 E HN 0.342 nan 8.360 nan 0.000 0.450 1205 L N 1.579 122.594 121.223 -0.347 0.000 1.971 1205 L HA -0.257 4.083 4.340 0.001 0.000 0.215 1205 L C 2.412 179.109 176.870 -0.288 0.000 1.072 1205 L CA 1.972 56.388 54.840 -0.708 0.000 0.758 1205 L CB -0.571 40.976 42.059 -0.854 0.000 0.889 1205 L HN 0.079 nan 8.230 nan 0.000 0.433 1206 R N -0.461 119.924 120.500 -0.192 0.000 2.190 1206 R HA -0.269 4.071 4.340 0.001 0.000 0.255 1206 R C 2.203 178.469 176.300 -0.057 0.000 1.143 1206 R CA 2.163 58.200 56.100 -0.104 0.000 0.965 1206 R CB -1.040 29.215 30.300 -0.075 0.000 0.889 1206 R HN 0.622 nan 8.270 nan 0.000 0.448 1207 Q N -0.348 119.418 119.800 -0.056 0.000 2.050 1207 Q HA -0.152 4.188 4.340 0.001 0.000 0.202 1207 Q C 2.077 178.066 176.000 -0.018 0.000 0.980 1207 Q CA 1.583 57.359 55.803 -0.045 0.000 0.840 1207 Q CB -0.509 28.180 28.738 -0.082 0.000 0.898 1207 Q HN 0.599 nan 8.270 nan 0.000 0.424 1208 H N 0.706 119.736 119.070 -0.067 0.000 2.265 1208 H HA -0.149 4.407 4.556 0.001 0.000 0.293 1208 H C 2.268 177.640 175.328 0.074 0.000 1.089 1208 H CA 1.805 57.829 56.048 -0.039 0.000 1.244 1208 H CB -0.419 29.183 29.762 -0.266 0.000 1.355 1208 H HN 0.085 nan 8.280 nan 0.000 0.485 1209 L N -0.517 120.769 121.223 0.106 0.000 1.965 1209 L HA -0.291 4.049 4.340 0.001 0.000 0.226 1209 L C 2.484 179.471 176.870 0.195 0.000 1.083 1209 L CA 1.359 56.268 54.840 0.115 0.000 0.790 1209 L CB -0.720 41.348 42.059 0.015 0.000 0.898 1209 L HN 0.275 nan 8.230 nan 0.000 0.439 1210 L N 0.014 121.305 121.223 0.113 0.000 2.143 1210 L HA -0.360 3.980 4.340 0.001 0.000 0.231 1210 L C 2.667 179.622 176.870 0.141 0.000 1.106 1210 L CA 2.192 57.089 54.840 0.096 0.000 0.827 1210 L CB -0.580 41.511 42.059 0.054 0.000 0.915 1210 L HN 0.184 nan 8.230 nan 0.000 0.448 1211 R N -2.143 118.490 120.500 0.221 0.000 2.090 1211 R HA -0.123 4.217 4.340 0.001 0.000 0.228 1211 R C 2.097 178.465 176.300 0.113 0.000 1.110 1211 R CA 1.624 57.815 56.100 0.150 0.000 0.973 1211 R CB -0.433 29.952 30.300 0.142 0.000 0.869 1211 R HN 0.535 nan 8.270 nan 0.000 0.440 1212 W N 0.539 121.871 121.300 0.053 0.000 3.077 1212 W HA 0.116 4.777 4.660 0.001 0.000 0.245 1212 W C 0.971 177.544 176.519 0.090 0.000 1.316 1212 W CA 0.233 57.625 57.345 0.079 0.000 1.537 1212 W CB 0.105 29.627 29.460 0.103 0.000 1.131 1212 W HN 0.197 nan 8.180 nan 0.000 0.695 1213 G N 1.720 110.667 108.800 0.245 0.000 3.327 1213 G HA2 0.050 4.010 3.960 0.001 0.000 0.218 1213 G HA3 0.050 4.010 3.960 0.001 0.000 0.218 1213 G C 0.703 175.678 174.900 0.124 0.000 1.261 1213 G CA -0.214 44.981 45.100 0.158 0.000 1.438 1213 G HN 0.016 nan 8.290 nan 0.000 0.530 1231 G N 0.667 109.504 108.800 0.061 0.000 2.731 1231 G HA2 -0.152 3.808 3.960 0.001 0.000 0.218 1231 G HA3 -0.152 3.808 3.960 0.001 0.000 0.218 1231 G C -1.631 173.329 174.900 0.101 0.000 1.349 1231 G CA 0.117 45.252 45.100 0.058 0.000 1.225 1231 G HN 1.039 nan 8.290 nan 0.000 0.526 1232 Y N 4.624 124.910 120.300 -0.023 0.000 2.691 1232 Y HA 0.564 5.114 4.550 0.001 0.000 0.338 1232 Y C 0.159 176.032 175.900 -0.045 0.000 1.148 1232 Y CA -1.234 56.844 58.100 -0.038 0.000 1.430 1232 Y CB -0.158 38.262 38.460 -0.068 0.000 1.303 1232 Y HN 0.270 nan 8.280 nan 0.000 0.499 1233 E N 5.936 126.281 120.200 0.241 0.000 2.166 1233 E HA 0.166 4.516 4.350 0.001 0.000 0.279 1233 E C -1.161 175.345 176.600 -0.157 0.000 1.095 1233 E CA -0.276 56.143 56.400 0.033 0.000 0.888 1233 E CB 1.262 31.026 29.700 0.107 0.000 1.041 1233 E HN 0.534 nan 8.360 nan 0.000 0.414 1234 L N 4.323 125.283 121.223 -0.438 0.000 2.409 1234 L HA 0.305 4.645 4.340 0.001 0.000 0.272 1234 L C -1.206 175.260 176.870 -0.673 0.000 0.980 1234 L CA -0.511 54.093 54.840 -0.393 0.000 0.826 1234 L CB 1.425 43.427 42.059 -0.095 0.000 1.268 1234 L HN 0.369 nan 8.230 nan 0.000 0.407 1235 H N 6.076 125.059 119.070 -0.145 0.000 2.541 1235 H HA 0.322 4.878 4.556 0.001 0.000 0.246 1235 H C -2.213 172.701 175.328 -0.689 0.000 1.341 1235 H CA -1.499 54.364 56.048 -0.309 0.000 1.469 1235 H CB 1.023 30.678 29.762 -0.178 0.000 1.472 1235 H HN 0.532 nan 8.280 nan 0.000 0.503 1236 P HA -0.174 nan 4.420 nan 0.000 0.218 1236 P C 1.272 178.001 177.300 -0.952 0.000 1.149 1236 P CA 1.032 62.980 63.100 -1.920 0.000 0.817 1236 P CB 0.621 31.576 31.700 -1.242 0.000 0.785 1237 D N 0.754 120.870 120.400 -0.474 0.000 2.149 1237 D HA -0.197 4.444 4.640 0.001 0.000 0.194 1237 D C 1.253 177.474 176.300 -0.132 0.000 1.001 1237 D CA 1.487 55.354 54.000 -0.222 0.000 0.849 1237 D CB -0.403 40.310 40.800 -0.145 0.000 0.939 1237 D HN -0.079 nan 8.370 nan 0.000 0.449 1238 K N -0.146 120.169 120.400 -0.141 0.000 2.589 1238 K HA 0.109 4.429 4.320 0.001 0.000 0.204 1238 K C -0.803 175.921 176.600 0.206 0.000 1.029 1238 K CA -0.221 56.078 56.287 0.020 0.000 1.177 1238 K CB -0.220 32.302 32.500 0.036 0.000 0.902 1238 K HN 0.223 nan 8.250 nan 0.000 0.501 1239 W N 0.903 122.229 121.300 0.043 0.000 2.438 1239 W HA 0.388 5.048 4.660 0.001 0.000 0.324 1239 W C 0.112 176.650 176.519 0.032 0.000 1.119 1239 W CA -0.903 56.469 57.345 0.044 0.000 1.221 1239 W CB 0.833 30.312 29.460 0.031 0.000 1.253 1239 W HN -0.054 nan 8.180 nan 0.000 0.555 1240 T N -1.495 113.213 114.554 0.256 0.000 3.435 1240 T HA 0.286 4.636 4.350 0.001 0.000 0.344 1240 T C -0.921 173.844 174.700 0.108 0.000 1.211 1240 T CA -0.910 61.283 62.100 0.154 0.000 1.104 1240 T CB 0.781 69.723 68.868 0.122 0.000 1.196 1240 T HN 0.102 nan 8.240 nan 0.000 0.471 1241 V N 3.274 123.241 119.914 0.089 0.000 2.678 1241 V HA -0.021 4.100 4.120 0.001 0.000 0.304 1241 V C 1.161 177.293 176.094 0.063 0.000 1.086 1241 V CA 0.329 62.668 62.300 0.066 0.000 1.246 1241 V CB 0.060 31.932 31.823 0.082 0.000 0.861 1241 V HN 1.096 nan 8.190 nan 0.000 0.491 1242 Q N 8.585 128.402 119.800 0.029 0.000 2.244 1242 Q HA 0.150 4.491 4.340 0.001 0.000 0.278 1242 Q C -2.344 173.706 176.000 0.083 0.000 1.093 1242 Q CA -0.521 55.305 55.803 0.039 0.000 0.916 1242 Q CB 0.712 29.444 28.738 -0.011 0.000 1.159 1242 Q HN 0.515 nan 8.270 nan 0.000 0.384 1243 P HA 0.044 nan 4.420 nan 0.000 0.272 1243 P C -0.965 176.392 177.300 0.095 0.000 1.254 1243 P CA -0.262 62.894 63.100 0.094 0.000 0.795 1243 P CB 0.498 32.239 31.700 0.068 0.000 1.022 1244 I N 0.243 120.849 120.570 0.060 0.000 2.362 1244 I HA 0.186 4.356 4.170 0.001 0.000 0.289 1244 I C -0.287 175.838 176.117 0.013 0.000 0.994 1244 I CA -0.613 60.711 61.300 0.040 0.000 1.158 1244 I CB 1.095 39.084 38.000 -0.017 0.000 1.315 1244 I HN 0.038 nan 8.210 nan 0.000 0.451 1245 V N 5.687 125.622 119.914 0.036 0.000 2.472 1245 V HA 0.662 4.783 4.120 0.001 0.000 0.290 1245 V C -0.582 175.537 176.094 0.042 0.000 1.037 1245 V CA -0.664 61.658 62.300 0.035 0.000 0.908 1245 V CB 1.587 33.435 31.823 0.041 0.000 0.985 1245 V HN 0.334 nan 8.190 nan 0.000 0.454 1246 L N 5.655 126.907 121.223 0.049 0.000 2.313 1246 L HA 0.638 4.978 4.340 0.001 0.000 0.283 1246 L C -1.832 175.103 176.870 0.109 0.000 1.013 1246 L CA -1.936 52.953 54.840 0.082 0.000 0.816 1246 L CB 0.580 42.685 42.059 0.077 0.000 1.236 1246 L HN 0.543 nan 8.230 nan 0.000 0.419 1247 P HA 0.001 nan 4.420 nan 0.000 0.271 1247 P C 0.333 177.696 177.300 0.105 0.000 1.228 1247 P CA 0.062 63.207 63.100 0.075 0.000 0.797 1247 P CB 0.952 32.676 31.700 0.040 0.000 0.914 1248 E N -0.837 119.358 120.200 -0.010 0.000 2.399 1248 E HA 0.053 4.403 4.350 0.001 0.000 0.205 1248 E C 0.545 177.038 176.600 -0.177 0.000 0.906 1248 E CA -0.464 55.943 56.400 0.010 0.000 0.998 1248 E CB -0.016 29.685 29.700 0.001 0.000 1.002 1248 E HN 0.089 nan 8.360 nan 0.000 0.501 1249 K N 0.183 120.348 120.400 -0.392 0.000 1.867 1249 K HA -0.276 4.044 4.320 0.001 0.000 0.140 1249 K C -0.294 176.021 176.600 -0.476 0.000 1.408 1249 K CA 2.317 58.188 56.287 -0.694 0.000 0.461 1249 K CB -1.090 30.341 32.500 -1.782 0.000 0.594 1249 K HN 0.379 nan 8.250 nan 0.000 0.888 1250 D N -5.247 114.790 120.400 -0.606 0.000 4.418 1250 D HA -0.028 4.613 4.640 0.001 0.000 0.126 1250 D C 0.468 176.649 176.300 -0.199 0.000 0.397 1250 D CA 0.920 54.767 54.000 -0.254 0.000 0.586 1250 D CB -0.983 39.724 40.800 -0.155 0.000 1.637 1250 D HN 0.203 nan 8.370 nan 0.000 0.039 1251 S N -0.939 114.565 115.700 -0.327 0.000 2.783 1251 S HA 0.295 4.765 4.470 0.001 0.000 0.205 1251 S C -0.328 174.290 174.600 0.029 0.000 0.910 1251 S CA 0.293 58.417 58.200 -0.126 0.000 0.861 1251 S CB 0.733 63.863 63.200 -0.116 0.000 0.830 1251 S HN 0.374 nan 8.310 nan 0.000 0.630 1252 W N 1.576 122.875 121.300 -0.001 0.000 3.079 1252 W HA -0.142 4.518 4.660 0.001 0.000 0.461 1252 W C -0.273 176.246 176.519 0.000 0.000 1.853 1252 W CA -0.034 57.312 57.345 0.000 0.000 0.459 1252 W CB -1.343 28.117 29.460 0.000 0.000 2.859 1252 W HN 0.479 nan 8.180 nan 0.000 0.416 1253 T N -0.622 114.109 114.554 0.294 0.000 2.906 1253 T HA 0.599 4.950 4.350 0.001 0.000 0.295 1253 T C 0.628 175.415 174.700 0.146 0.000 1.075 1253 T CA -0.512 61.687 62.100 0.166 0.000 1.005 1253 T CB 1.788 70.713 68.868 0.095 0.000 1.136 1253 T HN 0.438 nan 8.240 nan 0.000 0.498 1254 V N 1.854 121.821 119.914 0.089 0.000 2.233 1254 V HA -0.361 3.760 4.120 0.001 0.000 0.256 1254 V C 2.756 178.894 176.094 0.074 0.000 1.069 1254 V CA 2.783 65.121 62.300 0.063 0.000 1.054 1254 V CB -1.415 30.433 31.823 0.042 0.000 0.664 1254 V HN 1.076 nan 8.190 nan 0.000 0.453 1255 N N -0.059 118.683 118.700 0.070 0.000 2.021 1255 N HA -0.268 4.473 4.740 0.001 0.000 0.198 1255 N C 1.538 177.109 175.510 0.101 0.000 1.041 1255 N CA 2.142 55.232 53.050 0.068 0.000 0.862 1255 N CB -0.169 38.348 38.487 0.049 0.000 1.048 1255 N HN 0.598 nan 8.380 nan 0.000 0.427 1256 D N 0.543 121.030 120.400 0.146 0.000 2.117 1256 D HA -0.146 4.494 4.640 0.001 0.000 0.197 1256 D C 1.834 178.316 176.300 0.303 0.000 0.987 1256 D CA 0.726 54.864 54.000 0.231 0.000 0.829 1256 D CB -0.303 40.662 40.800 0.275 0.000 0.961 1256 D HN 0.457 nan 8.370 nan 0.000 0.460 1257 I N -0.153 120.559 120.570 0.237 0.000 2.617 1257 I HA -0.126 4.044 4.170 0.001 0.000 0.256 1257 I C 1.953 178.090 176.117 0.035 0.000 1.167 1257 I CA 1.181 62.518 61.300 0.061 0.000 1.469 1257 I CB -0.098 37.872 38.000 -0.050 0.000 1.098 1257 I HN -0.125 nan 8.210 nan 0.000 0.436 1258 Q N 0.656 120.493 119.800 0.061 0.000 2.050 1258 Q HA -0.192 4.148 4.340 0.001 0.000 0.202 1258 Q C 2.122 178.165 176.000 0.070 0.000 0.980 1258 Q CA 1.882 57.715 55.803 0.051 0.000 0.840 1258 Q CB 0.002 28.770 28.738 0.050 0.000 0.898 1258 Q HN 0.503 nan 8.270 nan 0.000 0.424 1259 K N 0.078 120.533 120.400 0.091 0.000 2.057 1259 K HA -0.163 4.157 4.320 0.001 0.000 0.206 1259 K C 2.066 178.741 176.600 0.125 0.000 1.050 1259 K CA 0.797 57.150 56.287 0.111 0.000 0.935 1259 K CB -0.354 32.207 32.500 0.101 0.000 0.715 1259 K HN 0.155 nan 8.250 nan 0.000 0.439 1260 L N 2.029 123.320 121.223 0.113 0.000 1.976 1260 L HA -0.244 4.096 4.340 0.001 0.000 0.223 1260 L C 2.402 179.298 176.870 0.044 0.000 1.081 1260 L CA 1.897 56.786 54.840 0.082 0.000 0.784 1260 L CB -1.089 40.979 42.059 0.015 0.000 0.896 1260 L HN 0.137 nan 8.230 nan 0.000 0.438 1261 V N -1.974 117.949 119.914 0.015 0.000 2.261 1261 V HA -0.104 4.017 4.120 0.001 0.000 0.246 1261 V C 2.450 178.565 176.094 0.036 0.000 1.047 1261 V CA 1.824 64.125 62.300 0.001 0.000 1.015 1261 V CB -2.254 29.562 31.823 -0.012 0.000 0.642 1261 V HN 0.516 nan 8.190 nan 0.000 0.446 1262 G N 0.281 109.137 108.800 0.093 0.000 2.624 1262 G HA2 -0.451 3.510 3.960 0.001 0.000 0.221 1262 G HA3 -0.451 3.510 3.960 0.001 0.000 0.221 1262 G C 1.633 176.644 174.900 0.186 0.000 1.169 1262 G CA 1.776 46.986 45.100 0.184 0.000 0.771 1262 G HN 0.648 nan 8.290 nan 0.000 0.598 1263 K N -0.116 120.406 120.400 0.203 0.000 1.991 1263 K HA 0.005 4.325 4.320 0.001 0.000 0.212 1263 K C 2.691 179.224 176.600 -0.111 0.000 1.049 1263 K CA 1.313 57.628 56.287 0.047 0.000 0.932 1263 K CB -0.380 32.221 32.500 0.167 0.000 0.717 1263 K HN 0.333 nan 8.250 nan 0.000 0.441 1264 L N 1.668 122.862 121.223 -0.048 0.000 2.137 1264 L HA -0.294 4.046 4.340 0.001 0.000 0.213 1264 L C 2.497 179.302 176.870 -0.109 0.000 1.085 1264 L CA 1.657 56.450 54.840 -0.079 0.000 0.760 1264 L CB -0.748 41.275 42.059 -0.061 0.000 0.893 1264 L HN 0.496 nan 8.230 nan 0.000 0.434 1265 N N -0.286 118.354 118.700 -0.100 0.000 2.036 1265 N HA -0.298 4.443 4.740 0.001 0.000 0.195 1265 N C 2.016 177.396 175.510 -0.217 0.000 1.037 1265 N CA 1.875 54.852 53.050 -0.123 0.000 0.855 1265 N CB -0.321 38.130 38.487 -0.059 0.000 1.033 1265 N HN 0.534 nan 8.380 nan 0.000 0.423 1266 W N 1.890 122.817 121.300 -0.620 0.000 2.332 1266 W HA -0.236 4.424 4.660 0.001 0.000 0.321 1266 W C 2.335 178.619 176.519 -0.391 0.000 1.219 1266 W CA 2.131 59.009 57.345 -0.779 0.000 1.277 1266 W CB -0.686 27.823 29.460 -1.585 0.000 1.161 1266 W HN 0.204 nan 8.180 nan 0.000 0.476 1267 A N 0.895 123.614 122.820 -0.168 0.000 1.852 1267 A HA -0.397 3.924 4.320 0.001 0.000 0.217 1267 A C 2.142 179.639 177.584 -0.144 0.000 1.215 1267 A CA 3.716 55.664 52.037 -0.148 0.000 0.641 1267 A CB -1.821 17.079 19.000 -0.167 0.000 0.838 1267 A HN 0.476 nan 8.150 nan 0.000 0.450 1268 S N -1.372 114.243 115.700 -0.143 0.000 2.451 1268 S HA -0.439 4.032 4.470 0.001 0.000 0.272 1268 S C 2.122 176.624 174.600 -0.163 0.000 1.136 1268 S CA 2.395 60.520 58.200 -0.125 0.000 1.209 1268 S CB -0.681 62.440 63.200 -0.131 0.000 1.130 1268 S HN 0.584 nan 8.310 nan 0.000 0.440 1269 Q N 0.395 120.019 119.800 -0.293 0.000 1.968 1269 Q HA -0.163 4.177 4.340 0.001 0.000 0.216 1269 Q C 1.276 177.116 176.000 -0.267 0.000 1.037 1269 Q CA 1.825 57.376 55.803 -0.420 0.000 0.889 1269 Q CB -0.858 27.378 28.738 -0.838 0.000 0.998 1269 Q HN 0.676 nan 8.270 nan 0.000 0.417 1270 I N -2.338 118.133 120.570 -0.165 0.000 3.062 1270 I HA 0.100 4.270 4.170 0.001 0.000 0.316 1270 I C -0.529 175.692 176.117 0.173 0.000 1.041 1270 I CA -0.853 60.438 61.300 -0.015 0.000 1.069 1270 I CB 0.622 38.633 38.000 0.018 0.000 1.300 1270 I HN 0.427 nan 8.210 nan 0.000 0.518 1271 Y N 0.903 121.178 120.300 -0.043 0.000 3.347 1271 Y HA -0.117 4.433 4.550 0.000 0.000 0.206 1271 Y C -2.092 173.794 175.900 -0.024 0.000 1.614 1271 Y CA -0.356 57.733 58.100 -0.019 0.000 1.485 1271 Y CB -2.211 36.235 38.460 -0.024 0.000 1.540 1271 Y HN 0.431 nan 8.280 nan 0.000 0.530 1272 P HA 0.073 nan 4.420 nan 0.000 0.252 1272 P C 1.067 178.387 177.300 0.034 0.000 1.147 1272 P CA 2.508 65.633 63.100 0.041 0.000 0.779 1272 P CB 0.132 31.867 31.700 0.058 0.000 0.733 1273 G N 2.888 111.696 108.800 0.014 0.000 2.901 1273 G HA2 -0.170 3.790 3.960 0.001 0.000 0.194 1273 G HA3 -0.170 3.790 3.960 0.001 0.000 0.194 1273 G C 0.026 174.922 174.900 -0.006 0.000 1.020 1273 G CA -0.610 44.489 45.100 -0.001 0.000 0.787 1273 G HN 0.422 nan 8.290 nan 0.000 0.477 1274 I N 1.693 122.265 120.570 0.003 0.000 2.906 1274 I HA 0.330 4.501 4.170 0.001 0.000 0.302 1274 I C 0.443 176.536 176.117 -0.041 0.000 1.220 1274 I CA 0.755 62.038 61.300 -0.028 0.000 1.441 1274 I CB 0.898 38.871 38.000 -0.044 0.000 1.336 1274 I HN 0.167 nan 8.210 nan 0.000 0.565 1275 K N 5.473 125.845 120.400 -0.047 0.000 2.535 1275 K HA 0.494 4.815 4.320 0.001 0.000 0.253 1275 K C -0.797 175.770 176.600 -0.055 0.000 0.953 1275 K CA -0.435 55.823 56.287 -0.047 0.000 0.863 1275 K CB 1.478 33.954 32.500 -0.041 0.000 1.111 1275 K HN 0.258 nan 8.250 nan 0.000 0.431 1276 V N 6.675 126.555 119.914 -0.057 0.000 2.802 1276 V HA 0.299 4.419 4.120 0.001 0.000 0.350 1276 V C 0.469 176.530 176.094 -0.055 0.000 1.233 1276 V CA -0.015 62.249 62.300 -0.060 0.000 1.337 1276 V CB -0.367 31.419 31.823 -0.061 0.000 1.497 1276 V HN 0.801 nan 8.190 nan 0.000 0.616 1277 R N -0.735 119.733 120.500 -0.053 0.000 2.009 1277 R HA 0.287 4.627 4.340 0.001 0.000 0.206 1277 R C 1.780 178.048 176.300 -0.052 0.000 1.356 1277 R CA 0.448 56.520 56.100 -0.048 0.000 1.088 1277 R CB -0.635 29.640 30.300 -0.041 0.000 0.959 1277 R HN 0.270 nan 8.270 nan 0.000 0.469 1278 Q N 0.939 120.707 119.800 -0.054 0.000 2.156 1278 Q HA -0.192 4.149 4.340 0.001 0.000 0.211 1278 Q C 2.061 178.017 176.000 -0.074 0.000 0.995 1278 Q CA 1.670 57.438 55.803 -0.058 0.000 0.877 1278 Q CB -0.580 28.123 28.738 -0.058 0.000 0.920 1278 Q HN 0.312 nan 8.270 nan 0.000 0.416 1279 L N 0.304 121.473 121.223 -0.089 0.000 1.973 1279 L HA -0.126 4.214 4.340 0.001 0.000 0.208 1279 L C 2.572 179.386 176.870 -0.093 0.000 1.073 1279 L CA 2.009 56.779 54.840 -0.117 0.000 0.746 1279 L CB -1.310 40.669 42.059 -0.134 0.000 0.891 1279 L HN 0.414 nan 8.230 nan 0.000 0.433 1280 C N 0.532 119.788 119.300 -0.072 0.000 2.398 1280 C HA -0.191 4.269 4.460 0.001 0.000 0.282 1280 C C 1.540 176.503 174.990 -0.045 0.000 1.275 1280 C CA 0.534 59.521 59.018 -0.052 0.000 1.797 1280 C CB -1.425 26.290 27.740 -0.042 0.000 1.991 1280 C HN 0.350 nan 8.230 nan 0.000 0.505 1281 K N 0.721 121.092 120.400 -0.049 0.000 2.291 1281 K HA 0.514 4.834 4.320 0.001 0.000 0.242 1281 K C -0.621 175.952 176.600 -0.045 0.000 1.098 1281 K CA -0.095 56.167 56.287 -0.040 0.000 1.036 1281 K CB 0.647 33.126 32.500 -0.036 0.000 1.655 1281 K HN 0.336 nan 8.250 nan 0.000 0.432 1287 K N 1.859 122.263 120.400 0.007 0.000 2.542 1287 K HA 0.526 4.847 4.320 0.001 0.000 0.276 1287 K C 0.172 176.779 176.600 0.012 0.000 0.963 1287 K CA 0.246 56.539 56.287 0.010 0.000 0.975 1287 K CB -0.042 32.464 32.500 0.010 0.000 0.901 1287 K HN 0.773 nan 8.250 nan 0.000 0.506 1288 A N 2.937 125.765 122.820 0.014 0.000 2.309 1288 A HA 0.136 4.456 4.320 0.001 0.000 0.298 1288 A C 0.986 178.581 177.584 0.018 0.000 1.165 1288 A CA -0.709 51.337 52.037 0.014 0.000 0.821 1288 A CB 0.547 19.555 19.000 0.013 0.000 1.102 1288 A HN 0.701 nan 8.150 nan 0.000 0.500 1289 L N 2.485 123.718 121.223 0.018 0.000 1.956 1289 L HA -0.128 4.212 4.340 0.001 0.000 0.216 1289 L C 2.132 179.017 176.870 0.025 0.000 1.073 1289 L CA 2.823 57.676 54.840 0.021 0.000 0.762 1289 L CB -1.287 40.782 42.059 0.017 0.000 0.889 1289 L HN 0.774 nan 8.230 nan 0.000 0.433 1290 T N -0.266 114.300 114.554 0.020 0.000 3.163 1290 T HA -0.084 4.266 4.350 0.001 0.000 0.260 1290 T C 0.758 175.472 174.700 0.024 0.000 1.156 1290 T CA -0.045 62.067 62.100 0.020 0.000 1.072 1290 T CB -0.348 68.528 68.868 0.012 0.000 0.937 1290 T HN 0.332 nan 8.240 nan 0.000 0.528 1291 E N 2.225 122.441 120.200 0.026 0.000 2.217 1291 E HA 0.221 4.571 4.350 0.001 0.000 0.279 1291 E C -0.131 176.494 176.600 0.041 0.000 1.068 1291 E CA -0.306 56.111 56.400 0.028 0.000 0.882 1291 E CB 0.707 30.422 29.700 0.024 0.000 1.039 1291 E HN 0.083 nan 8.360 nan 0.000 0.418 1292 V N 6.433 126.373 119.914 0.043 0.000 3.003 1292 V HA 0.413 4.534 4.120 0.001 0.000 0.305 1292 V C 0.141 176.275 176.094 0.067 0.000 1.078 1292 V CA 0.028 62.366 62.300 0.063 0.000 1.083 1292 V CB 0.642 32.496 31.823 0.051 0.000 1.039 1292 V HN 0.675 nan 8.190 nan 0.000 0.481 1293 I N 2.365 122.994 120.570 0.098 0.000 3.467 1293 I HA 0.777 4.947 4.170 0.001 0.000 0.314 1293 I C -2.736 173.451 176.117 0.116 0.000 1.177 1293 I CA -2.327 59.023 61.300 0.083 0.000 0.943 1293 I CB 1.667 39.702 38.000 0.058 0.000 1.338 1293 I HN 0.472 nan 8.210 nan 0.000 0.482 1294 P HA 0.433 nan 4.420 nan 0.000 0.332 1294 P C -1.197 176.159 177.300 0.093 0.000 1.298 1294 P CA -0.555 62.599 63.100 0.090 0.000 0.755 1294 P CB 0.909 32.638 31.700 0.048 0.000 1.465 1295 L N -0.288 120.981 121.223 0.077 0.000 2.287 1295 L HA 0.329 4.670 4.340 0.001 0.000 0.287 1295 L C 0.359 177.218 176.870 -0.019 0.000 1.022 1295 L CA -0.616 54.239 54.840 0.025 0.000 0.814 1295 L CB 0.825 42.937 42.059 0.088 0.000 1.217 1295 L HN 0.198 nan 8.230 nan 0.000 0.420 1296 T N 2.345 116.858 114.554 -0.069 0.000 2.758 1296 T HA -0.058 4.293 4.350 0.001 0.000 0.281 1296 T C 1.253 175.931 174.700 -0.037 0.000 0.963 1296 T CA 0.379 62.444 62.100 -0.057 0.000 1.201 1296 T CB 0.333 69.151 68.868 -0.083 0.000 0.906 1296 T HN 0.730 nan 8.240 nan 0.000 0.528 1297 E N 2.702 122.889 120.200 -0.021 0.000 2.464 1297 E HA -0.295 4.055 4.350 0.001 0.000 0.250 1297 E C 0.914 177.504 176.600 -0.018 0.000 1.063 1297 E CA 1.897 58.288 56.400 -0.014 0.000 1.155 1297 E CB 0.144 29.836 29.700 -0.013 0.000 1.041 1297 E HN 0.526 nan 8.360 nan 0.000 0.495 1298 E N -2.161 118.023 120.200 -0.026 0.000 3.157 1298 E HA 0.258 4.608 4.350 0.001 0.000 0.203 1298 E C -0.148 176.428 176.600 -0.040 0.000 0.982 1298 E CA 0.415 56.798 56.400 -0.027 0.000 1.217 1298 E CB 1.324 31.011 29.700 -0.022 0.000 1.123 1298 E HN 0.327 nan 8.360 nan 0.000 0.457 1299 A N 0.327 123.114 122.820 -0.055 0.000 2.169 1299 A HA 0.022 4.343 4.320 0.001 0.000 0.210 1299 A C 1.718 179.256 177.584 -0.077 0.000 1.168 1299 A CA 0.162 52.153 52.037 -0.076 0.000 0.813 1299 A CB 0.168 19.103 19.000 -0.109 0.000 0.861 1299 A HN 0.017 nan 8.150 nan 0.000 0.481 1300 E N 0.328 120.495 120.200 -0.056 0.000 2.136 1300 E HA -0.269 4.082 4.350 0.001 0.000 0.202 1300 E C 1.798 178.381 176.600 -0.028 0.000 1.019 1300 E CA 1.396 57.776 56.400 -0.035 0.000 0.819 1300 E CB -0.547 29.148 29.700 -0.009 0.000 0.739 1300 E HN 0.661 nan 8.360 nan 0.000 0.458 1301 L N 1.142 122.348 121.223 -0.028 0.000 2.353 1301 L HA -0.162 4.179 4.340 0.001 0.000 0.220 1301 L C 2.273 179.125 176.870 -0.031 0.000 1.133 1301 L CA 0.856 55.682 54.840 -0.023 0.000 0.798 1301 L CB 0.022 42.068 42.059 -0.021 0.000 0.922 1301 L HN -0.001 nan 8.230 nan 0.000 0.445 1302 E N 0.239 120.411 120.200 -0.046 0.000 2.000 1302 E HA -0.254 4.096 4.350 0.001 0.000 0.199 1302 E C 2.137 178.708 176.600 -0.049 0.000 1.011 1302 E CA 1.976 58.342 56.400 -0.056 0.000 0.836 1302 E CB -0.731 28.920 29.700 -0.082 0.000 0.778 1302 E HN 0.508 nan 8.360 nan 0.000 0.462 1303 L N 0.253 121.445 121.223 -0.053 0.000 2.013 1303 L HA -0.144 4.197 4.340 0.001 0.000 0.212 1303 L C 2.388 179.253 176.870 -0.008 0.000 1.073 1303 L CA 2.649 57.474 54.840 -0.026 0.000 0.753 1303 L CB -1.590 40.466 42.059 -0.004 0.000 0.890 1303 L HN 0.038 nan 8.230 nan 0.000 0.432 1304 A N -0.316 122.501 122.820 -0.005 0.000 1.859 1304 A HA -0.307 4.014 4.320 0.001 0.000 0.217 1304 A C 2.399 179.981 177.584 -0.004 0.000 1.198 1304 A CA 2.245 54.283 52.037 0.002 0.000 0.629 1304 A CB -1.007 17.994 19.000 0.002 0.000 0.830 1304 A HN 0.666 nan 8.150 nan 0.000 0.446 1305 E N -0.637 119.555 120.200 -0.012 0.000 2.031 1305 E HA -0.201 4.149 4.350 0.001 0.000 0.193 1305 E C 2.019 178.609 176.600 -0.017 0.000 0.994 1305 E CA 1.148 57.539 56.400 -0.014 0.000 0.800 1305 E CB -0.140 29.548 29.700 -0.019 0.000 0.752 1305 E HN 0.580 nan 8.360 nan 0.000 0.447 1306 N N 0.641 119.324 118.700 -0.028 0.000 2.025 1306 N HA -0.214 4.527 4.740 0.001 0.000 0.194 1306 N C 1.922 177.408 175.510 -0.041 0.000 1.044 1306 N CA 1.204 54.230 53.050 -0.040 0.000 0.851 1306 N CB -0.485 37.970 38.487 -0.053 0.000 1.036 1306 N HN 0.043 nan 8.380 nan 0.000 0.422 1307 R N 1.554 122.038 120.500 -0.026 0.000 2.159 1307 R HA -0.212 4.128 4.340 0.001 0.000 0.249 1307 R C 1.923 178.217 176.300 -0.011 0.000 1.136 1307 R CA 1.982 58.073 56.100 -0.015 0.000 0.951 1307 R CB -0.604 29.700 30.300 0.007 0.000 0.876 1307 R HN 0.369 nan 8.270 nan 0.000 0.440 1308 E N -0.279 119.921 120.200 -0.001 0.000 2.017 1308 E HA -0.255 4.096 4.350 0.001 0.000 0.220 1308 E C 1.894 178.506 176.600 0.020 0.000 1.032 1308 E CA 2.249 58.656 56.400 0.012 0.000 0.888 1308 E CB -0.371 29.335 29.700 0.010 0.000 0.801 1308 E HN 0.403 nan 8.360 nan 0.000 0.503 1309 I N 0.887 121.469 120.570 0.021 0.000 2.730 1309 I HA -0.298 3.873 4.170 0.001 0.000 0.266 1309 I C 2.040 178.203 176.117 0.077 0.000 1.228 1309 I CA 0.665 62.003 61.300 0.062 0.000 1.445 1309 I CB -0.128 37.908 38.000 0.060 0.000 1.102 1309 I HN 0.289 nan 8.210 nan 0.000 0.464 1310 L N -0.003 121.196 121.223 -0.040 0.000 2.202 1310 L HA -0.092 4.248 4.340 0.001 0.000 0.205 1310 L C 2.145 179.020 176.870 0.009 0.000 1.083 1310 L CA 0.667 55.404 54.840 -0.171 0.000 0.790 1310 L CB -0.270 41.654 42.059 -0.225 0.000 0.942 1310 L HN 0.079 nan 8.230 nan 0.000 0.452 1311 K N 0.592 121.014 120.400 0.037 0.000 2.699 1311 K HA -0.046 4.274 4.320 0.001 0.000 0.205 1311 K C -0.235 176.429 176.600 0.106 0.000 1.008 1311 K CA 0.379 56.708 56.287 0.069 0.000 1.100 1311 K CB 0.147 32.676 32.500 0.049 0.000 0.878 1311 K HN 0.121 nan 8.250 nan 0.000 0.496 1312 E N 0.834 121.134 120.200 0.167 0.000 2.320 1312 E HA 0.349 4.700 4.350 0.001 0.000 0.264 1312 E C -2.671 174.057 176.600 0.214 0.000 0.923 1312 E CA -2.505 53.999 56.400 0.173 0.000 0.796 1312 E CB 1.573 31.371 29.700 0.163 0.000 1.262 1312 E HN 0.043 nan 8.360 nan 0.000 0.428 1313 P HA 0.160 nan 4.420 nan 0.000 0.287 1313 P C -0.024 177.231 177.300 -0.074 0.000 1.281 1313 P CA -0.503 62.613 63.100 0.027 0.000 0.781 1313 P CB 0.607 32.314 31.700 0.011 0.000 0.903 1314 V N 5.321 125.062 119.914 -0.287 0.000 2.699 1314 V HA -0.169 3.951 4.120 0.001 0.000 0.296 1314 V C 1.373 177.341 176.094 -0.211 0.000 1.030 1314 V CA 0.695 62.732 62.300 -0.439 0.000 1.219 1314 V CB -1.334 30.160 31.823 -0.548 0.000 0.848 1314 V HN 0.668 nan 8.190 nan 0.000 0.468 1315 H N 5.059 124.018 119.070 -0.185 0.000 2.848 1315 H HA 0.293 4.849 4.556 0.001 0.000 0.341 1315 H C 1.177 176.424 175.328 -0.134 0.000 1.060 1315 H CA 1.012 56.982 56.048 -0.131 0.000 1.444 1315 H CB 1.085 30.817 29.762 -0.050 0.000 1.446 1315 H HN 0.909 nan 8.280 nan 0.000 0.583 1316 G N 3.738 112.138 108.800 -0.668 0.000 2.194 1316 G HA2 -0.239 3.721 3.960 0.001 0.000 0.236 1316 G HA3 -0.239 3.721 3.960 0.001 0.000 0.236 1316 G C -0.257 174.507 174.900 -0.226 0.000 0.987 1316 G CA 0.156 45.043 45.100 -0.355 0.000 0.635 1316 G HN 0.625 nan 8.290 nan 0.000 0.520 1317 V N 1.144 120.813 119.914 -0.409 0.000 2.398 1317 V HA 0.759 4.879 4.120 0.001 0.000 0.286 1317 V C -0.249 175.539 176.094 -0.511 0.000 1.026 1317 V CA -0.573 61.547 62.300 -0.300 0.000 0.868 1317 V CB 1.003 32.696 31.823 -0.217 0.000 0.982 1317 V HN 0.277 nan 8.190 nan 0.000 0.443 1318 Y N 2.728 123.012 120.300 -0.025 0.000 2.609 1318 Y HA 0.473 5.024 4.550 0.000 0.000 0.342 1318 Y C -0.586 175.345 175.900 0.052 0.000 1.058 1318 Y CA -1.063 57.047 58.100 0.017 0.000 1.055 1318 Y CB 1.802 40.251 38.460 -0.018 0.000 1.292 1318 Y HN 0.598 nan 8.280 nan 0.000 0.476 1319 Y N 2.646 123.026 120.300 0.133 0.000 2.404 1319 Y HA 0.261 4.812 4.550 0.001 0.000 0.344 1319 Y C -0.443 175.441 175.900 -0.026 0.000 0.995 1319 Y CA -1.210 56.885 58.100 -0.009 0.000 1.201 1319 Y CB 0.364 38.837 38.460 0.021 0.000 1.151 1319 Y HN 0.518 nan 8.280 nan 0.000 0.517 1320 D N 8.723 128.827 120.400 -0.493 0.000 2.313 1320 D HA 0.237 4.877 4.640 0.001 0.000 0.239 1320 D C -2.129 173.586 176.300 -0.975 0.000 1.142 1320 D CA -2.446 51.209 54.000 -0.574 0.000 0.847 1320 D CB 2.049 42.687 40.800 -0.269 0.000 1.082 1320 D HN 0.357 nan 8.370 nan 0.000 0.480 1321 P HA -0.091 nan 4.420 nan 0.000 0.221 1321 P C 1.250 178.382 177.300 -0.280 0.000 1.150 1321 P CA 0.825 63.554 63.100 -0.619 0.000 0.800 1321 P CB 0.184 31.678 31.700 -0.342 0.000 0.787 1322 S N -2.176 113.377 115.700 -0.246 0.000 2.461 1322 S HA -0.001 4.469 4.470 0.001 0.000 0.228 1322 S C 1.069 175.593 174.600 -0.126 0.000 1.005 1322 S CA 0.537 58.646 58.200 -0.152 0.000 0.942 1322 S CB -0.528 62.594 63.200 -0.131 0.000 0.776 1322 S HN -0.087 nan 8.310 nan 0.000 0.514 1323 K N 3.122 123.433 120.400 -0.148 0.000 2.138 1323 K HA 0.348 4.668 4.320 0.001 0.000 0.263 1323 K C -0.892 175.648 176.600 -0.099 0.000 0.965 1323 K CA -1.020 55.201 56.287 -0.109 0.000 0.868 1323 K CB 1.044 33.484 32.500 -0.100 0.000 1.083 1323 K HN 0.329 nan 8.250 nan 0.000 0.443 1324 D N 2.815 123.161 120.400 -0.090 0.000 2.348 1324 D HA 0.210 4.850 4.640 0.001 0.000 0.249 1324 D C -0.077 176.117 176.300 -0.176 0.000 1.110 1324 D CA -0.326 53.613 54.000 -0.101 0.000 0.967 1324 D CB 0.506 41.259 40.800 -0.078 0.000 1.139 1324 D HN 0.403 nan 8.370 nan 0.000 0.466 1325 L N -0.089 120.987 121.223 -0.244 0.000 2.399 1325 L HA 0.465 4.805 4.340 0.001 0.000 0.266 1325 L C 0.213 176.828 176.870 -0.424 0.000 1.114 1325 L CA -0.890 53.716 54.840 -0.390 0.000 0.804 1325 L CB 1.016 42.772 42.059 -0.505 0.000 1.146 1325 L HN 0.354 nan 8.230 nan 0.000 0.451 1326 I N 1.577 121.805 120.570 -0.570 0.000 2.499 1326 I HA 0.562 4.733 4.170 0.001 0.000 0.288 1326 I C -0.750 174.923 176.117 -0.739 0.000 1.048 1326 I CA -0.318 60.588 61.300 -0.657 0.000 1.062 1326 I CB 1.679 39.225 38.000 -0.757 0.000 1.238 1326 I HN 0.672 nan 8.210 nan 0.000 0.426 1327 A N 6.056 128.513 122.820 -0.605 0.000 2.318 1327 A HA 0.692 5.012 4.320 0.001 0.000 0.324 1327 A C -0.907 176.568 177.584 -0.181 0.000 1.170 1327 A CA -0.459 51.291 52.037 -0.478 0.000 0.810 1327 A CB 1.280 19.713 19.000 -0.945 0.000 1.198 1327 A HN 0.737 nan 8.150 nan 0.000 0.484 1328 E N 2.033 122.243 120.200 0.016 0.000 2.224 1328 E HA 0.649 5.000 4.350 0.001 0.000 0.265 1328 E C -1.539 175.157 176.600 0.160 0.000 0.878 1328 E CA -0.371 56.100 56.400 0.118 0.000 0.759 1328 E CB 1.244 31.057 29.700 0.189 0.000 1.164 1328 E HN 0.621 nan 8.360 nan 0.000 0.414 1329 I N 4.541 125.218 120.570 0.178 0.000 2.498 1329 I HA 0.270 4.440 4.170 0.001 0.000 0.290 1329 I C -0.537 175.705 176.117 0.209 0.000 1.032 1329 I CA -0.975 60.463 61.300 0.231 0.000 1.073 1329 I CB 1.635 39.790 38.000 0.258 0.000 1.251 1329 I HN 0.461 nan 8.210 nan 0.000 0.426 1330 Q N 5.719 125.635 119.800 0.193 0.000 2.345 1330 Q HA 0.471 4.812 4.340 0.001 0.000 0.268 1330 Q C -1.230 174.825 176.000 0.091 0.000 1.054 1330 Q CA -1.035 54.846 55.803 0.130 0.000 0.835 1330 Q CB 2.787 31.561 28.738 0.061 0.000 1.339 1330 Q HN 0.543 nan 8.270 nan 0.000 0.447 1331 K N 1.822 122.172 120.400 -0.083 0.000 2.248 1331 K HA 0.223 4.544 4.320 0.001 0.000 0.281 1331 K C -0.929 175.425 176.600 -0.411 0.000 1.054 1331 K CA -0.103 55.869 56.287 -0.524 0.000 0.903 1331 K CB 0.775 32.859 32.500 -0.692 0.000 1.077 1331 K HN 0.570 nan 8.250 nan 0.000 0.474 1332 Q N 2.478 122.004 119.800 -0.457 0.000 2.381 1332 Q HA 0.275 4.615 4.340 0.001 0.000 0.263 1332 Q C -0.085 175.727 176.000 -0.313 0.000 1.030 1332 Q CA -0.526 55.106 55.803 -0.284 0.000 0.772 1332 Q CB 1.909 30.556 28.738 -0.152 0.000 1.232 1332 Q HN 0.919 nan 8.270 nan 0.000 0.476 1333 G N 1.879 110.525 108.800 -0.257 0.000 3.121 1333 G HA2 -0.208 3.753 3.960 0.001 0.000 0.225 1333 G HA3 -0.208 3.753 3.960 0.001 0.000 0.225 1333 G C -0.115 174.686 174.900 -0.165 0.000 1.199 1333 G CA 0.192 45.170 45.100 -0.204 0.000 0.855 1333 G HN 0.831 nan 8.290 nan 0.000 0.557 1334 Q N -1.541 118.191 119.800 -0.113 0.000 2.454 1334 Q HA -0.080 4.260 4.340 0.001 0.000 0.281 1334 Q C 1.273 177.256 176.000 -0.029 0.000 1.233 1334 Q CA 1.664 57.431 55.803 -0.059 0.000 0.818 1334 Q CB -1.571 27.136 28.738 -0.052 0.000 1.200 1334 Q HN 2.550 nan 8.270 nan 0.000 0.447 1335 G N -0.297 108.506 108.800 0.005 0.000 2.296 1335 G HA2 -0.360 3.601 3.960 0.001 0.000 0.282 1335 G HA3 -0.360 3.601 3.960 0.001 0.000 0.282 1335 G C -0.043 174.979 174.900 0.203 0.000 1.014 1335 G CA 0.959 46.165 45.100 0.178 0.000 0.812 1335 G HN 0.405 nan 8.290 nan 0.000 0.508 1336 Q N -1.515 118.253 119.800 -0.054 0.000 2.274 1336 Q HA 0.641 4.981 4.340 0.001 0.000 0.260 1336 Q C -0.832 175.025 176.000 -0.239 0.000 0.974 1336 Q CA -0.458 55.350 55.803 0.008 0.000 0.876 1336 Q CB 1.512 30.228 28.738 -0.036 0.000 1.297 1336 Q HN 0.377 nan 8.270 nan 0.000 0.446 1337 W N 0.610 121.986 121.300 0.128 0.000 3.097 1337 W HA 0.313 4.973 4.660 0.001 0.000 0.335 1337 W C -0.568 176.058 176.519 0.179 0.000 1.114 1337 W CA -0.603 56.840 57.345 0.164 0.000 1.231 1337 W CB 1.551 31.147 29.460 0.227 0.000 1.388 1337 W HN 0.439 nan 8.180 nan 0.000 0.485 1338 T N 0.111 114.846 114.554 0.302 0.000 2.823 1338 T HA 0.770 5.121 4.350 0.001 0.000 0.279 1338 T C -1.160 173.646 174.700 0.177 0.000 0.998 1338 T CA -0.704 61.496 62.100 0.168 0.000 0.994 1338 T CB 1.275 70.186 68.868 0.072 0.000 0.960 1338 T HN 0.409 nan 8.240 nan 0.000 0.448 1339 Y N 0.402 120.723 120.300 0.036 0.000 2.457 1339 Y HA 0.782 5.332 4.550 0.001 0.000 0.343 1339 Y C -1.057 174.807 175.900 -0.060 0.000 0.994 1339 Y CA -1.379 56.724 58.100 0.005 0.000 1.031 1339 Y CB 1.538 40.044 38.460 0.077 0.000 1.246 1339 Y HN 0.514 nan 8.280 nan 0.000 0.449 1340 Q N 3.915 123.732 119.800 0.029 0.000 2.348 1340 Q HA 0.710 5.050 4.340 0.001 0.000 0.271 1340 Q C -1.281 174.821 176.000 0.171 0.000 1.067 1340 Q CA -0.712 55.105 55.803 0.023 0.000 0.839 1340 Q CB 3.045 31.733 28.738 -0.083 0.000 1.354 1340 Q HN 0.836 nan 8.270 nan 0.000 0.447 1341 I N 2.695 123.362 120.570 0.162 0.000 2.466 1341 I HA 0.564 4.734 4.170 0.001 0.000 0.289 1341 I C -1.249 174.895 176.117 0.045 0.000 1.026 1341 I CA -0.980 60.339 61.300 0.030 0.000 1.078 1341 I CB 1.012 39.054 38.000 0.069 0.000 1.249 1341 I HN 0.697 nan 8.210 nan 0.000 0.429 1342 Y N 2.983 123.186 120.300 -0.162 0.000 2.705 1342 Y HA 0.447 4.998 4.550 0.001 0.000 0.332 1342 Y C -0.309 175.482 175.900 -0.181 0.000 1.221 1342 Y CA -0.910 57.094 58.100 -0.160 0.000 1.059 1342 Y CB 1.000 39.397 38.460 -0.105 0.000 1.298 1342 Y HN 0.441 nan 8.280 nan 0.000 0.459 1343 Q N -0.203 119.599 119.800 0.004 0.000 2.353 1343 Q HA 0.175 4.515 4.340 0.001 0.000 0.240 1343 Q C -0.649 175.436 176.000 0.142 0.000 0.868 1343 Q CA 0.321 56.095 55.803 -0.049 0.000 0.944 1343 Q CB 1.301 29.994 28.738 -0.076 0.000 1.104 1343 Q HN 0.657 nan 8.270 nan 0.000 0.531 1344 E N 1.522 121.889 120.200 0.278 0.000 2.279 1344 E HA 0.262 4.612 4.350 0.001 0.000 0.252 1344 E C -2.725 173.946 176.600 0.118 0.000 0.894 1344 E CA -2.590 53.924 56.400 0.191 0.000 0.785 1344 E CB 1.293 31.038 29.700 0.076 0.000 1.237 1344 E HN -0.212 nan 8.360 nan 0.000 0.418 1345 P HA -0.123 nan 4.420 nan 0.000 0.257 1345 P C -0.664 176.584 177.300 -0.087 0.000 1.144 1345 P CA 0.954 63.888 63.100 -0.276 0.000 0.761 1345 P CB -0.091 31.647 31.700 0.064 0.000 0.734 1346 F N 0.743 120.426 119.950 -0.446 0.000 3.056 1346 F HA -0.214 4.313 4.527 0.001 0.000 0.301 1346 F C 0.802 176.470 175.800 -0.221 0.000 0.907 1346 F CA 0.872 58.685 58.000 -0.311 0.000 1.113 1346 F CB -1.668 37.118 39.000 -0.357 0.000 1.123 1346 F HN 0.263 nan 8.300 nan 0.000 0.661 1347 K N 0.992 121.333 120.400 -0.099 0.000 3.301 1347 K HA 0.300 4.621 4.320 0.001 0.000 0.170 1347 K C -0.240 176.346 176.600 -0.023 0.000 1.061 1347 K CA -0.239 56.019 56.287 -0.049 0.000 0.807 1347 K CB 0.230 32.726 32.500 -0.007 0.000 0.889 1347 K HN 0.287 nan 8.250 nan 0.000 0.564 1348 N N 1.942 120.615 118.700 -0.044 0.000 2.447 1348 N HA 0.002 4.742 4.740 0.001 0.000 0.263 1348 N C 0.495 176.018 175.510 0.021 0.000 1.226 1348 N CA 0.119 53.187 53.050 0.030 0.000 0.906 1348 N CB 0.856 39.373 38.487 0.049 0.000 1.060 1348 N HN 0.264 nan 8.380 nan 0.000 0.468 1349 L N 1.648 122.910 121.223 0.065 0.000 2.298 1349 L HA 0.148 4.488 4.340 0.001 0.000 0.209 1349 L C 0.729 177.705 176.870 0.178 0.000 1.084 1349 L CA 0.887 55.787 54.840 0.100 0.000 0.816 1349 L CB 0.071 42.164 42.059 0.056 0.000 0.967 1349 L HN 0.430 nan 8.230 nan 0.000 0.460 1350 K N -0.232 120.272 120.400 0.174 0.000 2.532 1350 K HA 0.480 4.800 4.320 0.001 0.000 0.265 1350 K C -1.089 175.553 176.600 0.070 0.000 0.948 1350 K CA -0.226 56.159 56.287 0.162 0.000 0.842 1350 K CB 2.651 35.320 32.500 0.281 0.000 1.392 1350 K HN -0.191 nan 8.250 nan 0.000 0.436 1351 T N -0.314 114.217 114.554 -0.038 0.000 3.798 1351 T HA 0.620 4.970 4.350 0.001 0.000 0.339 1351 T C -0.557 173.931 174.700 -0.354 0.000 0.967 1351 T CA -0.327 61.653 62.100 -0.199 0.000 1.046 1351 T CB 0.768 69.621 68.868 -0.024 0.000 1.092 1351 T HN 0.680 nan 8.240 nan 0.000 0.465 1352 G N 3.124 111.385 108.800 -0.897 0.000 3.183 1352 G HA2 0.888 4.849 3.960 0.001 0.000 0.247 1352 G HA3 0.888 4.849 3.960 0.001 0.000 0.247 1352 G C -1.127 173.442 174.900 -0.551 0.000 1.211 1352 G CA -0.712 43.985 45.100 -0.672 0.000 0.835 1352 G HN 1.012 nan 8.290 nan 0.000 0.604 1353 K N -2.552 117.790 120.400 -0.096 0.000 2.556 1353 K HA 0.711 5.031 4.320 0.001 0.000 0.289 1353 K C -2.059 174.799 176.600 0.429 0.000 1.040 1353 K CA -1.015 55.395 56.287 0.204 0.000 0.894 1353 K CB 1.723 34.301 32.500 0.129 0.000 1.547 1353 K HN 0.845 nan 8.250 nan 0.000 0.417 1354 Y N -0.209 120.254 120.300 0.273 0.000 2.521 1354 Y HA 0.699 5.249 4.550 0.001 0.000 0.332 1354 Y C -1.917 174.128 175.900 0.242 0.000 1.121 1354 Y CA -0.176 58.058 58.100 0.223 0.000 1.037 1354 Y CB 1.921 40.487 38.460 0.176 0.000 1.330 1354 Y HN 1.093 nan 8.280 nan 0.000 0.452 1362 T N 2.286 116.846 114.554 0.010 0.000 2.947 1362 T HA 0.317 4.668 4.350 0.001 0.000 0.337 1362 T C -0.916 173.766 174.700 -0.030 0.000 1.139 1362 T CA -0.711 61.395 62.100 0.009 0.000 0.992 1362 T CB -0.362 68.518 68.868 0.019 0.000 1.043 1362 T HN 0.621 nan 8.240 nan 0.000 0.498 1363 N N 3.163 121.832 118.700 -0.051 0.000 2.249 1363 N HA 0.327 5.068 4.740 0.001 0.000 0.296 1363 N C 0.421 175.927 175.510 -0.008 0.000 1.051 1363 N CA -0.752 52.255 53.050 -0.070 0.000 0.815 1363 N CB 1.429 39.817 38.487 -0.166 0.000 1.487 1363 N HN 0.143 nan 8.380 nan 0.000 0.475 1364 D N 1.201 121.657 120.400 0.093 0.000 2.157 1364 D HA -0.171 4.469 4.640 0.001 0.000 0.191 1364 D C 1.614 178.005 176.300 0.152 0.000 1.004 1364 D CA 1.567 55.730 54.000 0.273 0.000 0.854 1364 D CB -0.071 40.897 40.800 0.281 0.000 0.936 1364 D HN 0.422 nan 8.370 nan 0.000 0.446 1365 V N 1.126 121.076 119.914 0.060 0.000 2.255 1365 V HA -0.261 3.859 4.120 0.001 0.000 0.247 1365 V C 2.530 178.613 176.094 -0.018 0.000 1.051 1365 V CA 1.840 64.206 62.300 0.109 0.000 1.018 1365 V CB -0.542 31.364 31.823 0.138 0.000 0.641 1365 V HN 0.192 nan 8.190 nan 0.000 0.445 1366 K N -0.239 119.912 120.400 -0.414 0.000 2.001 1366 K HA -0.288 4.032 4.320 0.001 0.000 0.214 1366 K C 2.351 178.804 176.600 -0.246 0.000 1.050 1366 K CA 2.260 58.133 56.287 -0.690 0.000 0.934 1366 K CB -0.245 31.635 32.500 -1.034 0.000 0.718 1366 K HN 0.561 nan 8.250 nan 0.000 0.443 1367 Q N 0.288 119.972 119.800 -0.193 0.000 2.077 1367 Q HA -0.218 4.123 4.340 0.001 0.000 0.206 1367 Q C 2.213 177.913 176.000 -0.502 0.000 0.989 1367 Q CA 1.613 57.304 55.803 -0.186 0.000 0.853 1367 Q CB -0.225 28.486 28.738 -0.044 0.000 0.907 1367 Q HN 0.255 nan 8.270 nan 0.000 0.418 1368 L N 0.689 121.493 121.223 -0.698 0.000 1.994 1368 L HA -0.178 4.163 4.340 0.001 0.000 0.208 1368 L C 2.163 178.903 176.870 -0.217 0.000 1.071 1368 L CA 2.180 56.613 54.840 -0.678 0.000 0.745 1368 L CB -0.994 40.804 42.059 -0.436 0.000 0.892 1368 L HN 0.188 nan 8.230 nan 0.000 0.431 1369 T N -0.674 113.955 114.554 0.124 0.000 2.685 1369 T HA -0.260 4.091 4.350 0.001 0.000 0.268 1369 T C 1.665 176.395 174.700 0.049 0.000 1.034 1369 T CA 1.974 64.290 62.100 0.361 0.000 1.149 1369 T CB -0.398 68.714 68.868 0.406 0.000 0.860 1369 T HN 0.499 nan 8.240 nan 0.000 0.449 1370 E N 1.144 121.255 120.200 -0.148 0.000 2.047 1370 E HA 0.040 4.390 4.350 0.001 0.000 0.191 1370 E C 2.692 178.928 176.600 -0.606 0.000 0.987 1370 E CA 0.860 57.070 56.400 -0.315 0.000 0.799 1370 E CB -0.344 29.224 29.700 -0.220 0.000 0.752 1370 E HN 0.496 nan 8.360 nan 0.000 0.449 1371 A N 1.139 123.459 122.820 -0.834 0.000 1.873 1371 A HA -0.224 4.097 4.320 0.001 0.000 0.218 1371 A C 2.538 179.831 177.584 -0.485 0.000 1.193 1371 A CA 1.694 53.225 52.037 -0.844 0.000 0.629 1371 A CB -1.046 17.599 19.000 -0.591 0.000 0.826 1371 A HN 0.131 nan 8.150 nan 0.000 0.447 1372 V N -0.083 119.606 119.914 -0.376 0.000 2.219 1372 V HA -0.401 3.720 4.120 0.001 0.000 0.248 1372 V C 2.709 178.712 176.094 -0.152 0.000 1.053 1372 V CA 2.539 64.588 62.300 -0.418 0.000 1.009 1372 V CB -1.078 30.473 31.823 -0.454 0.000 0.636 1372 V HN 0.687 nan 8.190 nan 0.000 0.445 1373 Q N -0.540 119.210 119.800 -0.084 0.000 2.096 1373 Q HA -0.299 4.042 4.340 0.001 0.000 0.208 1373 Q C 2.454 178.517 176.000 0.104 0.000 0.993 1373 Q CA 1.919 57.764 55.803 0.069 0.000 0.862 1373 Q CB -0.358 28.213 28.738 -0.278 0.000 0.915 1373 Q HN 0.382 nan 8.270 nan 0.000 0.416 1374 K N 1.406 121.738 120.400 -0.113 0.000 1.991 1374 K HA -0.166 4.154 4.320 0.001 0.000 0.212 1374 K C 1.873 178.401 176.600 -0.120 0.000 1.049 1374 K CA 1.521 57.743 56.287 -0.108 0.000 0.932 1374 K CB -0.708 31.633 32.500 -0.266 0.000 0.717 1374 K HN 0.219 nan 8.250 nan 0.000 0.441 1375 I N 0.975 121.394 120.570 -0.251 0.000 2.113 1375 I HA -0.378 3.793 4.170 0.001 0.000 0.242 1375 I C 2.219 178.303 176.117 -0.055 0.000 1.064 1375 I CA 2.093 63.220 61.300 -0.288 0.000 1.320 1375 I CB -0.778 37.052 38.000 -0.283 0.000 1.028 1375 I HN 0.234 nan 8.210 nan 0.000 0.406 1376 T N 0.135 114.759 114.554 0.116 0.000 2.570 1376 T HA -0.262 4.088 4.350 0.001 0.000 0.266 1376 T C 1.857 176.495 174.700 -0.103 0.000 1.071 1376 T CA 2.431 64.522 62.100 -0.015 0.000 1.172 1376 T CB -0.832 67.915 68.868 -0.201 0.000 0.864 1376 T HN 0.403 nan 8.240 nan 0.000 0.421 1377 T N 2.246 116.850 114.554 0.083 0.000 2.531 1377 T HA -0.240 4.110 4.350 0.001 0.000 0.261 1377 T C 1.880 176.641 174.700 0.102 0.000 1.141 1377 T CA 1.966 64.191 62.100 0.208 0.000 1.176 1377 T CB -0.690 68.376 68.868 0.329 0.000 0.863 1377 T HN 0.558 nan 8.240 nan 0.000 0.424 1378 E N 0.503 120.725 120.200 0.037 0.000 2.068 1378 E HA -0.224 4.127 4.350 0.001 0.000 0.207 1378 E C 2.516 179.041 176.600 -0.124 0.000 1.032 1378 E CA 1.572 57.923 56.400 -0.082 0.000 0.839 1378 E CB -0.396 28.990 29.700 -0.524 0.000 0.758 1378 E HN 0.404 nan 8.360 nan 0.000 0.457 1379 S N 0.553 116.176 115.700 -0.128 0.000 2.365 1379 S HA -0.193 4.277 4.470 0.001 0.000 0.225 1379 S C 2.032 176.545 174.600 -0.144 0.000 1.039 1379 S CA 1.216 59.382 58.200 -0.056 0.000 1.033 1379 S CB -0.297 62.933 63.200 0.049 0.000 0.887 1379 S HN 0.219 nan 8.310 nan 0.000 0.447 1380 I N 0.796 121.238 120.570 -0.214 0.000 2.335 1380 I HA -0.116 4.054 4.170 0.001 0.000 0.251 1380 I C 2.171 178.153 176.117 -0.225 0.000 1.129 1380 I CA 0.946 62.040 61.300 -0.343 0.000 1.402 1380 I CB -0.266 37.448 38.000 -0.476 0.000 1.069 1380 I HN 0.237 nan 8.210 nan 0.000 0.424 1381 V N 0.777 120.610 119.914 -0.135 0.000 2.871 1381 V HA -0.132 3.988 4.120 0.001 0.000 0.256 1381 V C 1.990 178.018 176.094 -0.110 0.000 1.082 1381 V CA 1.327 63.589 62.300 -0.063 0.000 1.105 1381 V CB 0.095 31.985 31.823 0.111 0.000 0.713 1381 V HN 0.318 nan 8.190 nan 0.000 0.473 1382 I N -2.181 118.173 120.570 -0.361 0.000 2.927 1382 I HA -0.019 4.151 4.170 0.001 0.000 0.268 1382 I C 1.827 177.358 176.117 -0.977 0.000 1.153 1382 I CA 0.934 61.771 61.300 -0.772 0.000 1.459 1382 I CB 0.010 37.144 38.000 -1.444 0.000 1.149 1382 I HN 0.379 nan 8.210 nan 0.000 0.443 1383 W N 0.245 121.229 121.300 -0.527 0.000 2.773 1383 W HA 0.365 5.026 4.660 0.001 0.000 0.297 1383 W C 1.366 177.347 176.519 -0.897 0.000 1.050 1383 W CA 0.628 57.492 57.345 -0.802 0.000 1.467 1383 W CB -0.002 28.998 29.460 -0.767 0.000 0.977 1383 W HN 0.255 nan 8.180 nan 0.000 0.573 1384 G N 2.494 111.019 108.800 -0.459 0.000 2.136 1384 G HA2 -0.265 3.695 3.960 0.001 0.000 0.242 1384 G HA3 -0.265 3.695 3.960 0.001 0.000 0.242 1384 G C 0.109 174.957 174.900 -0.086 0.000 0.989 1384 G CA 0.762 45.812 45.100 -0.084 0.000 0.682 1384 G HN 0.269 nan 8.290 nan 0.000 0.522 1385 K N -0.871 119.417 120.400 -0.186 0.000 2.551 1385 K HA 0.687 5.008 4.320 0.001 0.000 0.269 1385 K C -0.249 176.222 176.600 -0.216 0.000 0.949 1385 K CA -0.279 55.918 56.287 -0.151 0.000 0.849 1385 K CB 1.200 33.714 32.500 0.024 0.000 1.411 1385 K HN 0.565 nan 8.250 nan 0.000 0.432 1386 T N -0.475 113.965 114.554 -0.191 0.000 2.909 1386 T HA 0.473 4.824 4.350 0.001 0.000 0.289 1386 T C -1.997 172.597 174.700 -0.176 0.000 1.005 1386 T CA -1.263 60.716 62.100 -0.203 0.000 1.084 1386 T CB 0.943 69.721 68.868 -0.150 0.000 0.975 1386 T HN 0.486 nan 8.240 nan 0.000 0.509 1387 P HA 0.367 nan 4.420 nan 0.000 0.279 1387 P C -1.010 176.047 177.300 -0.405 0.000 1.276 1387 P CA -0.906 61.941 63.100 -0.422 0.000 0.801 1387 P CB 0.800 32.102 31.700 -0.662 0.000 1.127 1388 K N 0.846 121.010 120.400 -0.393 0.000 2.262 1388 K HA 0.348 4.669 4.320 0.001 0.000 0.282 1388 K C -0.414 175.985 176.600 -0.335 0.000 1.066 1388 K CA -0.190 55.937 56.287 -0.266 0.000 0.901 1388 K CB 0.018 32.399 32.500 -0.198 0.000 1.089 1388 K HN 0.333 nan 8.250 nan 0.000 0.476 1389 F N 2.208 122.099 119.950 -0.098 0.000 2.396 1389 F HA 0.195 4.723 4.527 0.001 0.000 0.343 1389 F C 0.664 176.384 175.800 -0.133 0.000 1.104 1389 F CA -0.416 57.521 58.000 -0.104 0.000 1.161 1389 F CB 1.047 40.000 39.000 -0.078 0.000 1.146 1389 F HN 0.183 nan 8.300 nan 0.000 0.522 1390 K N 4.747 125.188 120.400 0.068 0.000 2.414 1390 K HA 0.354 4.674 4.320 0.001 0.000 0.251 1390 K C -1.383 175.202 176.600 -0.024 0.000 1.037 1390 K CA -0.600 55.689 56.287 0.003 0.000 0.980 1390 K CB 0.785 33.312 32.500 0.045 0.000 1.280 1390 K HN 0.272 nan 8.250 nan 0.000 0.451 1391 L N 5.128 126.234 121.223 -0.195 0.000 2.261 1391 L HA 0.240 4.581 4.340 0.001 0.000 0.289 1391 L C -1.939 174.929 176.870 -0.004 0.000 1.059 1391 L CA -2.651 52.049 54.840 -0.233 0.000 0.816 1391 L CB 0.327 41.970 42.059 -0.693 0.000 1.191 1391 L HN 0.371 nan 8.230 nan 0.000 0.431 1392 P HA 0.178 nan 4.420 nan 0.000 0.244 1392 P C -0.174 177.231 177.300 0.175 0.000 1.723 1392 P CA 0.482 63.666 63.100 0.139 0.000 1.110 1392 P CB 0.539 32.333 31.700 0.157 0.000 1.972 1393 I N -0.773 119.922 120.570 0.207 0.000 2.897 1393 I HA 0.158 4.329 4.170 0.001 0.000 0.299 1393 I C -1.192 175.041 176.117 0.193 0.000 1.527 1393 I CA -1.079 60.353 61.300 0.220 0.000 0.979 1393 I CB 2.585 40.747 38.000 0.269 0.000 1.360 1393 I HN -0.095 nan 8.210 nan 0.000 0.495 1394 Q N 5.137 124.994 119.800 0.094 0.000 2.274 1394 Q HA 0.010 4.350 4.340 0.001 0.000 0.280 1394 Q C 0.878 176.697 176.000 -0.300 0.000 1.047 1394 Q CA 0.448 56.228 55.803 -0.039 0.000 0.907 1394 Q CB 1.268 30.011 28.738 0.009 0.000 1.171 1394 Q HN 0.648 nan 8.270 nan 0.000 0.381 1395 K N 3.825 123.769 120.400 -0.759 0.000 2.015 1395 K HA -0.300 4.020 4.320 0.001 0.000 0.216 1395 K C 1.119 177.426 176.600 -0.489 0.000 1.052 1395 K CA 2.443 57.843 56.287 -1.479 0.000 0.937 1395 K CB 0.060 31.979 32.500 -0.969 0.000 0.719 1395 K HN 0.679 nan 8.250 nan 0.000 0.446 1396 E N -0.128 119.950 120.200 -0.203 0.000 2.171 1396 E HA -0.165 4.185 4.350 0.001 0.000 0.197 1396 E C 1.930 178.577 176.600 0.078 0.000 0.997 1396 E CA 2.010 58.393 56.400 -0.029 0.000 0.810 1396 E CB -0.258 29.438 29.700 -0.006 0.000 0.738 1396 E HN 0.457 nan 8.360 nan 0.000 0.467 1397 T N -0.246 114.375 114.554 0.113 0.000 2.781 1397 T HA -0.110 4.241 4.350 0.001 0.000 0.252 1397 T C 1.313 176.247 174.700 0.390 0.000 1.039 1397 T CA 0.789 63.060 62.100 0.284 0.000 1.147 1397 T CB -0.482 68.532 68.868 0.243 0.000 0.865 1397 T HN 0.396 nan 8.240 nan 0.000 0.423 1398 W N 2.459 123.844 121.300 0.141 0.000 2.318 1398 W HA -0.148 4.512 4.660 0.001 0.000 0.313 1398 W C 1.357 178.018 176.519 0.237 0.000 1.221 1398 W CA 1.520 58.975 57.345 0.183 0.000 1.266 1398 W CB -0.280 29.299 29.460 0.198 0.000 1.150 1398 W HN 0.237 nan 8.180 nan 0.000 0.496 1399 E N 0.093 120.468 120.200 0.291 0.000 2.352 1399 E HA -0.039 4.311 4.350 0.001 0.000 0.197 1399 E C 0.716 177.507 176.600 0.318 0.000 1.224 1399 E CA 0.877 57.493 56.400 0.361 0.000 1.118 1399 E CB -0.272 29.626 29.700 0.330 0.000 1.198 1399 E HN 0.030 nan 8.360 nan 0.000 0.454 1400 T N -2.352 112.328 114.554 0.210 0.000 3.151 1400 T HA 0.093 4.443 4.350 0.001 0.000 0.257 1400 T C 0.154 174.684 174.700 -0.284 0.000 0.872 1400 T CA -0.145 61.944 62.100 -0.019 0.000 0.873 1400 T CB -0.092 68.739 68.868 -0.062 0.000 1.272 1400 T HN 0.313 nan 8.240 nan 0.000 0.543 1401 W N 0.808 122.069 121.300 -0.065 0.000 2.835 1401 W HA 0.322 4.982 4.660 0.000 0.000 0.278 1401 W C 1.913 178.223 176.519 -0.347 0.000 1.075 1401 W CA -0.857 56.395 57.345 -0.154 0.000 1.439 1401 W CB -0.062 29.410 29.460 0.020 0.000 0.927 1401 W HN 0.318 nan 8.180 nan 0.000 0.604 1402 W N 0.702 121.735 121.300 -0.445 0.000 2.305 1402 W HA -0.249 4.412 4.660 0.001 0.000 0.308 1402 W C 1.116 177.401 176.519 -0.391 0.000 1.226 1402 W CA 2.031 58.904 57.345 -0.786 0.000 1.253 1402 W CB -1.923 26.452 29.460 -1.810 0.000 1.146 1402 W HN -0.262 nan 8.180 nan 0.000 0.507 1403 T N 1.675 115.277 114.554 -1.588 0.000 2.685 1403 T HA -0.302 4.048 4.350 0.001 0.000 0.268 1403 T C 1.519 175.866 174.700 -0.589 0.000 1.034 1403 T CA 2.759 64.036 62.100 -1.371 0.000 1.149 1403 T CB -0.362 67.763 68.868 -1.237 0.000 0.860 1403 T HN 0.131 nan 8.240 nan 0.000 0.449 1404 E N 0.159 120.023 120.200 -0.559 0.000 2.130 1404 E HA -0.115 4.235 4.350 0.001 0.000 0.196 1404 E C 0.906 177.178 176.600 -0.548 0.000 0.998 1404 E CA 1.381 57.430 56.400 -0.585 0.000 0.806 1404 E CB -0.143 29.076 29.700 -0.801 0.000 0.738 1404 E HN 0.762 nan 8.360 nan 0.000 0.459 1405 Y N -2.066 118.241 120.300 0.011 0.000 2.584 1405 Y HA 0.226 4.776 4.550 0.001 0.000 0.254 1405 Y C 0.097 176.017 175.900 0.034 0.000 1.177 1405 Y CA -0.791 57.317 58.100 0.014 0.000 1.216 1405 Y CB -0.197 38.286 38.460 0.039 0.000 1.172 1405 Y HN 0.024 nan 8.280 nan 0.000 0.529 1406 W N 3.110 124.359 121.300 -0.085 0.000 2.351 1406 W HA 0.233 4.893 4.660 0.001 0.000 0.311 1406 W C -0.019 176.446 176.519 -0.090 0.000 1.168 1406 W CA 0.103 57.421 57.345 -0.045 0.000 1.200 1406 W CB 1.243 30.656 29.460 -0.078 0.000 1.221 1406 W HN 0.282 nan 8.180 nan 0.000 0.519 1407 Q N 3.406 122.891 119.800 -0.524 0.000 2.384 1407 Q HA 0.155 4.495 4.340 0.001 0.000 0.264 1407 Q C 0.825 176.557 176.000 -0.447 0.000 0.825 1407 Q CA -0.125 55.468 55.803 -0.349 0.000 0.984 1407 Q CB 0.838 29.406 28.738 -0.284 0.000 1.183 1407 Q HN 0.466 nan 8.270 nan 0.000 0.537 1408 A N 1.565 123.860 122.820 -0.875 0.000 2.547 1408 A HA 0.061 4.381 4.320 0.001 0.000 0.233 1408 A C 1.176 178.487 177.584 -0.455 0.000 1.067 1408 A CA 0.842 52.308 52.037 -0.951 0.000 0.763 1408 A CB 0.139 17.962 19.000 -1.961 0.000 1.007 1408 A HN 0.358 nan 8.150 nan 0.000 0.506 1409 T N -1.118 113.153 114.554 -0.472 0.000 3.129 1409 T HA 0.185 4.536 4.350 0.001 0.000 0.251 1409 T C 0.320 175.094 174.700 0.123 0.000 1.117 1409 T CA 0.168 62.216 62.100 -0.086 0.000 1.034 1409 T CB -0.501 68.336 68.868 -0.051 0.000 0.968 1409 T HN 0.701 nan 8.240 nan 0.000 0.526 1410 W N 0.215 121.753 121.300 0.397 0.000 2.820 1410 W HA 0.764 5.424 4.660 0.001 0.000 0.350 1410 W C -1.429 175.426 176.519 0.559 0.000 1.116 1410 W CA -1.949 55.635 57.345 0.398 0.000 1.146 1410 W CB 0.917 30.598 29.460 0.370 0.000 1.433 1410 W HN -0.150 nan 8.180 nan 0.000 0.561 1411 I N 3.207 124.251 120.570 0.791 0.000 2.468 1411 I HA 0.232 4.402 4.170 0.001 0.000 0.285 1411 I C -2.040 174.233 176.117 0.259 0.000 1.039 1411 I CA -2.142 59.437 61.300 0.465 0.000 1.074 1411 I CB 1.991 40.007 38.000 0.027 0.000 1.228 1411 I HN -0.008 nan 8.210 nan 0.000 0.436 1412 P HA 0.240 nan 4.420 nan 0.000 0.279 1412 P C -0.954 176.295 177.300 -0.085 0.000 1.276 1412 P CA -0.490 62.717 63.100 0.179 0.000 0.801 1412 P CB 0.786 32.755 31.700 0.448 0.000 1.127 1413 E N 0.239 120.403 120.200 -0.060 0.000 2.289 1413 E HA 0.260 4.610 4.350 0.001 0.000 0.278 1413 E C -0.577 175.989 176.600 -0.056 0.000 1.032 1413 E CA -0.009 56.260 56.400 -0.219 0.000 0.854 1413 E CB 0.444 30.068 29.700 -0.128 0.000 1.046 1413 E HN 0.467 nan 8.360 nan 0.000 0.409 1414 W N 1.097 122.344 121.300 -0.088 0.000 2.962 1414 W HA 0.587 5.247 4.660 0.000 0.000 0.341 1414 W C -0.918 175.389 176.519 -0.352 0.000 1.155 1414 W CA -1.331 55.869 57.345 -0.241 0.000 1.165 1414 W CB 0.728 29.899 29.460 -0.482 0.000 1.435 1414 W HN 0.453 nan 8.180 nan 0.000 0.546 1415 E N 2.131 122.264 120.200 -0.111 0.000 2.307 1415 E HA 0.355 4.706 4.350 0.001 0.000 0.280 1415 E C -1.911 174.539 176.600 -0.249 0.000 0.900 1415 E CA -0.627 55.692 56.400 -0.135 0.000 0.790 1415 E CB 1.172 30.882 29.700 0.016 0.000 1.261 1415 E HN 0.312 nan 8.360 nan 0.000 0.405 1416 F N 2.655 122.655 119.950 0.083 0.000 2.418 1416 F HA 0.447 4.974 4.527 0.000 0.000 0.341 1416 F C 0.865 176.699 175.800 0.057 0.000 1.120 1416 F CA -0.165 57.851 58.000 0.027 0.000 1.232 1416 F CB 1.140 40.154 39.000 0.023 0.000 1.175 1416 F HN 0.383 nan 8.300 nan 0.000 0.569 1417 V N -0.727 119.316 119.914 0.214 0.000 3.112 1417 V HA 0.612 4.733 4.120 0.001 0.000 0.310 1417 V C -1.443 174.732 176.094 0.135 0.000 1.364 1417 V CA -1.353 61.039 62.300 0.154 0.000 1.058 1417 V CB 2.176 34.071 31.823 0.121 0.000 1.079 1417 V HN 0.726 nan 8.190 nan 0.000 0.463 1418 N N 0.031 118.796 118.700 0.109 0.000 2.442 1418 N HA 0.555 5.296 4.740 0.001 0.000 0.274 1418 N C -1.022 174.533 175.510 0.074 0.000 1.002 1418 N CA -0.560 52.542 53.050 0.086 0.000 0.910 1418 N CB 1.828 40.359 38.487 0.075 0.000 1.244 1418 N HN 0.796 nan 8.380 nan 0.000 0.492 1419 T N 3.761 118.351 114.554 0.060 0.000 2.784 1419 T HA 0.095 4.445 4.350 0.001 0.000 0.291 1419 T C -1.884 172.825 174.700 0.015 0.000 0.942 1419 T CA -0.698 61.427 62.100 0.043 0.000 1.161 1419 T CB -0.077 68.804 68.868 0.022 0.000 0.885 1419 T HN 0.329 nan 8.240 nan 0.000 0.534 1420 P HA 0.038 nan 4.420 nan 0.000 0.266 1420 P C -1.788 175.445 177.300 -0.111 0.000 1.186 1420 P CA -1.232 61.863 63.100 -0.008 0.000 0.767 1420 P CB 0.200 31.928 31.700 0.048 0.000 0.820 1421 P HA -0.089 nan 4.420 nan 0.000 0.212 1421 P C 1.616 178.670 177.300 -0.410 0.000 1.180 1421 P CA 1.352 64.323 63.100 -0.216 0.000 0.902 1421 P CB -0.015 31.584 31.700 -0.168 0.000 0.778 1422 L N -0.579 120.255 121.223 -0.648 0.000 2.046 1422 L HA -0.146 4.195 4.340 0.001 0.000 0.208 1422 L C 2.764 178.652 176.870 -1.637 0.000 1.077 1422 L CA 1.193 55.256 54.840 -1.295 0.000 0.747 1422 L CB -1.567 39.413 42.059 -1.798 0.000 0.896 1422 L HN -0.201 nan 8.230 nan 0.000 0.432 1423 V N 0.506 119.694 119.914 -1.210 0.000 2.232 1423 V HA -0.473 3.648 4.120 0.001 0.000 0.251 1423 V C 2.567 178.467 176.094 -0.323 0.000 1.048 1423 V CA 2.581 64.529 62.300 -0.587 0.000 1.029 1423 V CB -0.910 30.814 31.823 -0.165 0.000 0.658 1423 V HN 0.579 nan 8.190 nan 0.000 0.464 1424 K N -0.302 119.989 120.400 -0.183 0.000 2.192 1424 K HA -0.331 3.990 4.320 0.001 0.000 0.214 1424 K C 2.110 178.628 176.600 -0.137 0.000 1.046 1424 K CA 2.791 59.015 56.287 -0.105 0.000 0.937 1424 K CB -0.413 32.005 32.500 -0.136 0.000 0.734 1424 K HN 0.536 nan 8.250 nan 0.000 0.473 1425 L N -0.262 120.767 121.223 -0.324 0.000 2.023 1425 L HA -0.124 4.216 4.340 0.001 0.000 0.205 1425 L C 2.165 178.917 176.870 -0.197 0.000 1.073 1425 L CA 1.074 55.738 54.840 -0.294 0.000 0.745 1425 L CB -0.426 41.377 42.059 -0.427 0.000 0.900 1425 L HN 0.363 nan 8.230 nan 0.000 0.435 1426 W N -0.131 120.976 121.300 -0.322 0.000 2.359 1426 W HA -0.210 4.450 4.660 0.000 0.000 0.275 1426 W C 1.871 178.121 176.519 -0.449 0.000 1.217 1426 W CA 0.828 57.883 57.345 -0.482 0.000 1.196 1426 W CB -0.956 27.925 29.460 -0.964 0.000 1.129 1426 W HN 0.349 nan 8.180 nan 0.000 0.566 1427 Y N -0.539 119.799 120.300 0.063 0.000 2.485 1427 Y HA 0.147 4.697 4.550 0.001 0.000 0.260 1427 Y C 1.784 177.699 175.900 0.025 0.000 1.173 1427 Y CA -0.211 57.925 58.100 0.061 0.000 1.252 1427 Y CB -0.689 37.803 38.460 0.054 0.000 1.123 1427 Y HN -0.254 nan 8.280 nan 0.000 0.524 1428 Q N 0.000 119.861 119.800 0.101 0.000 2.315 1428 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 1428 Q CA 0.000 55.831 55.803 0.046 0.000 1.022 1428 Q CB 0.000 28.732 28.738 -0.010 0.000 1.108 1428 Q HN 0.000 nan 8.270 nan 0.000 0.481