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 1eet_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 AXXXXXXTND VKQLTEAVQK ITTESIVIWG KTPKFKLPIQ KETWETWWTE DATA SEQUENCE YWQATWIPEW EFVNTPPLVK LWY 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 0.000 176.168 176.117 0.086 0.000 1.063 1005 I CA 0.000 61.354 61.300 0.090 0.000 1.566 1005 I CB 0.000 38.058 38.000 0.096 0.000 1.214 1006 E N 3.009 123.252 120.200 0.072 0.000 2.351 1006 E HA 0.242 4.592 4.350 -0.000 0.000 0.266 1006 E C -0.019 176.628 176.600 0.079 0.000 1.031 1006 E CA -0.009 56.432 56.400 0.069 0.000 0.911 1006 E CB 0.676 30.410 29.700 0.056 0.000 0.986 1006 E HN 0.652 nan 8.360 nan 0.000 0.446 1007 T N -0.653 113.952 114.554 0.085 0.000 2.918 1007 T HA 0.199 4.549 4.350 -0.000 0.000 0.302 1007 T C 0.289 175.042 174.700 0.088 0.000 1.045 1007 T CA -0.955 61.204 62.100 0.098 0.000 1.114 1007 T CB 0.826 69.756 68.868 0.102 0.000 0.965 1007 T HN 0.100 nan 8.240 nan 0.000 0.540 1008 V N 5.714 125.688 119.914 0.100 0.000 2.498 1008 V HA 0.368 4.488 4.120 -0.000 0.000 0.279 1008 V C -1.600 174.539 176.094 0.075 0.000 1.048 1008 V CA -1.764 60.597 62.300 0.101 0.000 0.967 1008 V CB 0.768 32.676 31.823 0.142 0.000 0.988 1008 V HN 0.889 nan 8.190 nan 0.000 0.473 1009 P HA 0.273 nan 4.420 nan 0.000 0.276 1009 P C -1.025 176.228 177.300 -0.077 0.000 1.230 1009 P CA -0.031 63.078 63.100 0.016 0.000 0.776 1009 P CB 1.349 33.072 31.700 0.037 0.000 0.888 1010 V N 3.557 123.344 119.914 -0.212 0.000 2.604 1010 V HA 0.518 4.638 4.120 -0.000 0.000 0.305 1010 V C 0.333 176.247 176.094 -0.301 0.000 1.043 1010 V CA -0.717 61.247 62.300 -0.560 0.000 0.888 1010 V CB 1.697 32.843 31.823 -1.128 0.000 0.995 1010 V HN 0.635 nan 8.190 nan 0.000 0.429 1011 K N 4.073 124.309 120.400 -0.273 0.000 2.318 1011 K HA 0.826 5.146 4.320 -0.000 0.000 0.249 1011 K C -1.380 175.188 176.600 -0.053 0.000 0.942 1011 K CA -0.859 55.389 56.287 -0.065 0.000 0.808 1011 K CB 2.378 34.874 32.500 -0.007 0.000 1.189 1011 K HN 0.507 nan 8.250 nan 0.000 0.428 1012 L N 1.949 123.166 121.223 -0.010 0.000 2.421 1012 L HA 0.316 4.656 4.340 -0.000 0.000 0.263 1012 L C 0.106 176.971 176.870 -0.009 0.000 1.122 1012 L CA -1.023 53.799 54.840 -0.030 0.000 0.804 1012 L CB 1.010 42.978 42.059 -0.153 0.000 1.150 1012 L HN 0.633 nan 8.230 nan 0.000 0.457 1013 K N 3.381 123.781 120.400 -0.000 0.000 2.361 1013 K HA 0.080 4.400 4.320 -0.000 0.000 0.283 1013 K C -2.155 174.445 176.600 0.000 0.000 1.078 1013 K CA -1.331 54.956 56.287 0.001 0.000 1.041 1013 K CB -0.244 32.256 32.500 0.000 0.000 0.932 1013 K HN 0.293 nan 8.250 nan 0.000 0.462 1014 P HA -0.190 nan 4.420 nan 0.000 0.263 1014 P C 0.727 178.035 177.300 0.013 0.000 1.168 1014 P CA 1.042 64.150 63.100 0.013 0.000 0.759 1014 P CB 0.649 32.358 31.700 0.015 0.000 0.782 1015 G N 1.754 110.566 108.800 0.020 0.000 2.213 1015 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.236 1015 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.236 1015 G C 0.067 174.982 174.900 0.025 0.000 0.991 1015 G CA 0.034 45.148 45.100 0.023 0.000 0.629 1015 G HN 0.514 nan 8.290 nan 0.000 0.517 1016 M N 0.676 120.285 119.600 0.015 0.000 2.508 1016 M HA 0.599 5.079 4.480 -0.000 0.000 0.327 1016 M C -0.542 175.756 176.300 -0.004 0.000 1.160 1016 M CA -0.731 54.575 55.300 0.011 0.000 0.980 1016 M CB 1.816 34.417 32.600 0.002 0.000 1.693 1016 M HN 0.153 nan 8.290 nan 0.000 0.452 1017 D N 0.688 121.099 120.400 0.019 0.000 2.392 1017 D HA 0.571 5.211 4.640 -0.000 0.000 0.246 1017 D C -0.018 176.252 176.300 -0.050 0.000 1.013 1017 D CA -0.070 53.956 54.000 0.044 0.000 0.993 1017 D CB 1.528 42.430 40.800 0.170 0.000 1.219 1017 D HN 0.674 nan 8.370 nan 0.000 0.538 1018 G N 0.470 109.187 108.800 -0.138 0.000 2.690 1018 G HA2 0.259 4.219 3.960 -0.000 0.000 0.239 1018 G HA3 0.259 4.219 3.960 -0.000 0.000 0.239 1018 G C -2.142 172.781 174.900 0.037 0.000 1.233 1018 G CA -0.756 44.079 45.100 -0.441 0.000 0.847 1018 G HN 0.461 nan 8.290 nan 0.000 0.588 1019 P HA 0.228 nan 4.420 nan 0.000 0.271 1019 P C -0.823 176.643 177.300 0.276 0.000 1.216 1019 P CA -0.044 63.152 63.100 0.160 0.000 0.776 1019 P CB 1.113 32.892 31.700 0.132 0.000 0.881 1020 K N 1.704 122.227 120.400 0.205 0.000 3.253 1020 K HA 0.290 4.610 4.320 -0.000 0.000 0.174 1020 K C -0.739 175.934 176.600 0.122 0.000 1.071 1020 K CA -0.414 55.973 56.287 0.167 0.000 0.836 1020 K CB 0.998 33.580 32.500 0.137 0.000 0.922 1020 K HN 0.211 nan 8.250 nan 0.000 0.565 1021 V N 1.386 121.376 119.914 0.126 0.000 2.509 1021 V HA 0.228 4.348 4.120 -0.000 0.000 0.284 1021 V C 0.515 176.670 176.094 0.102 0.000 1.047 1021 V CA -0.787 61.585 62.300 0.120 0.000 0.952 1021 V CB 1.213 33.114 31.823 0.131 0.000 0.988 1021 V HN 0.310 nan 8.190 nan 0.000 0.469 1022 K N 2.318 122.779 120.400 0.102 0.000 2.258 1022 K HA 0.239 4.559 4.320 -0.000 0.000 0.264 1022 K C -0.060 176.594 176.600 0.089 0.000 1.007 1022 K CA -0.461 55.869 56.287 0.072 0.000 0.941 1022 K CB 0.653 33.184 32.500 0.051 0.000 0.966 1022 K HN 0.636 nan 8.250 nan 0.000 0.480 1023 Q N 2.887 122.709 119.800 0.037 0.000 2.295 1023 Q HA 0.004 4.344 4.340 -0.000 0.000 0.259 1023 Q C -1.190 174.842 176.000 0.055 0.000 0.976 1023 Q CA -0.182 55.632 55.803 0.018 0.000 0.923 1023 Q CB 0.474 29.195 28.738 -0.029 0.000 1.185 1023 Q HN 0.456 nan 8.270 nan 0.000 0.410 1024 W N 7.886 129.184 121.300 -0.003 0.000 2.190 1024 W HA 0.269 4.929 4.660 0.000 0.000 0.330 1024 W C -2.287 174.237 176.519 0.009 0.000 1.299 1024 W CA -1.927 55.462 57.345 0.073 0.000 1.215 1024 W CB 0.769 30.380 29.460 0.253 0.000 1.147 1024 W HN 0.587 nan 8.180 nan 0.000 0.563 1025 P HA 0.086 nan 4.420 nan 0.000 0.268 1025 P C -0.775 176.585 177.300 0.099 0.000 1.205 1025 P CA 0.493 63.525 63.100 -0.114 0.000 0.771 1025 P CB 1.195 32.738 31.700 -0.261 0.000 0.858 1026 L N 1.823 123.058 121.223 0.021 0.000 2.313 1026 L HA 0.489 4.829 4.340 -0.000 0.000 0.268 1026 L C 1.306 178.141 176.870 -0.058 0.000 1.010 1026 L CA -0.847 53.996 54.840 0.006 0.000 0.814 1026 L CB 1.746 43.787 42.059 -0.030 0.000 1.304 1026 L HN 0.382 nan 8.230 nan 0.000 0.441 1027 T N -3.618 110.883 114.554 -0.088 0.000 2.849 1027 T HA 0.124 4.474 4.350 -0.000 0.000 0.284 1027 T C 0.843 175.477 174.700 -0.109 0.000 1.004 1027 T CA -0.501 61.541 62.100 -0.096 0.000 1.021 1027 T CB 1.539 70.348 68.868 -0.098 0.000 1.013 1027 T HN 0.764 nan 8.240 nan 0.000 0.527 1028 E N 0.932 121.080 120.200 -0.087 0.000 2.065 1028 E HA -0.306 4.044 4.350 -0.000 0.000 0.201 1028 E C 1.971 178.492 176.600 -0.132 0.000 1.016 1028 E CA 2.171 58.517 56.400 -0.090 0.000 0.818 1028 E CB -0.200 29.465 29.700 -0.057 0.000 0.749 1028 E HN 0.922 nan 8.360 nan 0.000 0.453 1029 E N 0.575 120.699 120.200 -0.126 0.000 2.097 1029 E HA -0.248 4.102 4.350 -0.000 0.000 0.196 1029 E C 2.035 178.354 176.600 -0.469 0.000 1.000 1029 E CA 1.411 57.700 56.400 -0.185 0.000 0.804 1029 E CB -0.253 29.430 29.700 -0.028 0.000 0.740 1029 E HN 0.199 nan 8.360 nan 0.000 0.454 1030 K N 0.451 120.566 120.400 -0.476 0.000 2.148 1030 K HA -0.021 4.299 4.320 -0.000 0.000 0.204 1030 K C 2.206 178.559 176.600 -0.411 0.000 1.050 1030 K CA 1.135 57.049 56.287 -0.622 0.000 0.942 1030 K CB -0.086 32.180 32.500 -0.391 0.000 0.724 1030 K HN 0.210 nan 8.250 nan 0.000 0.446 1031 I N 1.373 121.786 120.570 -0.262 0.000 2.202 1031 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 1031 I C 2.065 178.076 176.117 -0.177 0.000 1.091 1031 I CA 1.328 62.523 61.300 -0.175 0.000 1.368 1031 I CB -0.177 37.752 38.000 -0.119 0.000 1.058 1031 I HN 0.098 nan 8.210 nan 0.000 0.410 1032 K N 1.072 121.359 120.400 -0.189 0.000 2.063 1032 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 1032 K C 2.268 178.754 176.600 -0.191 0.000 1.048 1032 K CA 1.587 57.783 56.287 -0.151 0.000 0.928 1032 K CB -0.343 32.082 32.500 -0.125 0.000 0.713 1032 K HN 0.315 nan 8.250 nan 0.000 0.442 1033 A N 1.659 124.265 122.820 -0.356 0.000 1.865 1033 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 1033 A C 2.175 179.627 177.584 -0.221 0.000 1.191 1033 A CA 1.410 53.198 52.037 -0.414 0.000 0.623 1033 A CB -0.775 17.620 19.000 -1.009 0.000 0.826 1033 A HN 0.175 nan 8.150 nan 0.000 0.444 1034 L N 0.017 121.111 121.223 -0.215 0.000 2.083 1034 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 1034 L C 2.695 179.539 176.870 -0.044 0.000 1.083 1034 L CA 1.560 56.337 54.840 -0.105 0.000 0.752 1034 L CB -0.611 41.398 42.059 -0.085 0.000 0.899 1034 L HN 0.500 nan 8.230 nan 0.000 0.433 1035 V N -3.135 116.754 119.914 -0.042 0.000 2.667 1035 V HA -0.174 3.946 4.120 -0.000 0.000 0.252 1035 V C 2.002 178.088 176.094 -0.013 0.000 1.065 1035 V CA 1.386 63.687 62.300 0.001 0.000 1.083 1035 V CB -0.458 31.363 31.823 -0.004 0.000 0.692 1035 V HN 0.434 nan 8.190 nan 0.000 0.468 1036 E N 0.550 120.730 120.200 -0.033 0.000 2.072 1036 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 1036 E C 2.180 178.764 176.600 -0.027 0.000 0.985 1036 E CA 1.821 58.208 56.400 -0.022 0.000 0.801 1036 E CB -0.230 29.462 29.700 -0.013 0.000 0.750 1036 E HN 0.676 nan 8.360 nan 0.000 0.452 1037 I N 0.493 121.043 120.570 -0.034 0.000 2.202 1037 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 1037 I C 2.405 178.463 176.117 -0.098 0.000 1.091 1037 I CA 0.644 61.917 61.300 -0.044 0.000 1.368 1037 I CB -0.183 37.800 38.000 -0.028 0.000 1.058 1037 I HN 0.232 nan 8.210 nan 0.000 0.410 1038 C N 0.073 119.305 119.300 -0.114 0.000 2.435 1038 C HA -0.120 4.340 4.460 -0.000 0.000 0.279 1038 C C 3.010 177.863 174.990 -0.228 0.000 1.321 1038 C CA 1.211 60.076 59.018 -0.254 0.000 1.752 1038 C CB -1.009 26.581 27.740 -0.249 0.000 1.959 1038 C HN 0.491 nan 8.230 nan 0.000 0.500 1039 T N -0.028 114.479 114.554 -0.079 0.000 2.746 1039 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 1039 T C 1.890 176.555 174.700 -0.057 0.000 1.039 1039 T CA 1.294 63.376 62.100 -0.030 0.000 1.142 1039 T CB -0.262 68.606 68.868 -0.001 0.000 0.866 1039 T HN 0.604 nan 8.240 nan 0.000 0.444 1040 E N 0.379 120.539 120.200 -0.067 0.000 2.152 1040 E HA 0.010 4.360 4.350 -0.000 0.000 0.192 1040 E C 2.053 178.595 176.600 -0.097 0.000 0.983 1040 E CA 0.666 57.029 56.400 -0.061 0.000 0.818 1040 E CB -0.079 29.596 29.700 -0.042 0.000 0.758 1040 E HN 0.500 nan 8.360 nan 0.000 0.467 1041 M N 0.114 119.619 119.600 -0.158 0.000 2.394 1041 M HA -0.107 4.373 4.480 -0.000 0.000 0.264 1041 M C 2.068 178.245 176.300 -0.205 0.000 1.073 1041 M CA 0.954 56.122 55.300 -0.220 0.000 1.111 1041 M CB 0.043 32.450 32.600 -0.321 0.000 1.401 1041 M HN 0.036 nan 8.290 nan 0.000 0.448 1042 E N 0.953 121.047 120.200 -0.176 0.000 2.051 1042 E HA -0.139 4.211 4.350 -0.000 0.000 0.189 1042 E C 1.755 178.323 176.600 -0.054 0.000 0.979 1042 E CA 1.077 57.412 56.400 -0.108 0.000 0.803 1042 E CB 0.199 29.879 29.700 -0.034 0.000 0.761 1042 E HN 0.323 nan 8.360 nan 0.000 0.451 1043 K N 0.516 120.890 120.400 -0.044 0.000 2.074 1043 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 1043 K C 1.716 178.302 176.600 -0.024 0.000 1.048 1043 K CA 1.817 58.089 56.287 -0.025 0.000 0.926 1043 K CB -0.096 32.392 32.500 -0.020 0.000 0.713 1043 K HN 0.264 nan 8.250 nan 0.000 0.444 1044 E N -0.173 120.003 120.200 -0.039 0.000 2.512 1044 E HA 0.022 4.372 4.350 -0.000 0.000 0.195 1044 E C 0.739 177.323 176.600 -0.026 0.000 1.083 1044 E CA 0.247 56.630 56.400 -0.028 0.000 0.873 1044 E CB 0.126 29.804 29.700 -0.037 0.000 0.897 1044 E HN 0.469 nan 8.360 nan 0.000 0.514 1045 G N 2.220 111.000 108.800 -0.034 0.000 2.233 1045 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.270 1045 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.270 1045 G C 0.847 175.730 174.900 -0.029 0.000 1.011 1045 G CA 1.024 46.111 45.100 -0.022 0.000 0.762 1045 G HN 0.314 nan 8.290 nan 0.000 0.511 1046 K N -0.655 119.694 120.400 -0.084 0.000 2.228 1046 K HA 0.249 4.569 4.320 -0.000 0.000 0.202 1046 K C 1.403 177.922 176.600 -0.135 0.000 1.051 1046 K CA 1.351 57.578 56.287 -0.099 0.000 0.960 1046 K CB 0.098 32.449 32.500 -0.249 0.000 0.743 1046 K HN 0.826 nan 8.250 nan 0.000 0.458 1047 I N -2.837 117.604 120.570 -0.214 0.000 2.969 1047 I HA 0.392 4.562 4.170 -0.000 0.000 0.307 1047 I C -1.067 174.993 176.117 -0.096 0.000 1.149 1047 I CA -1.062 60.086 61.300 -0.252 0.000 1.008 1047 I CB 2.573 40.270 38.000 -0.504 0.000 1.232 1047 I HN -0.221 nan 8.210 nan 0.000 0.435 1048 S N 1.669 117.376 115.700 0.011 0.000 2.540 1048 S HA 0.536 5.006 4.470 -0.000 0.000 0.275 1048 S C -0.808 173.855 174.600 0.106 0.000 1.123 1048 S CA -1.164 57.082 58.200 0.077 0.000 0.907 1048 S CB 1.696 64.907 63.200 0.018 0.000 1.081 1048 S HN 0.702 nan 8.310 nan 0.000 0.476 1049 K N 1.317 121.740 120.400 0.039 0.000 2.440 1049 K HA 0.340 4.660 4.320 -0.000 0.000 0.270 1049 K C 0.022 176.521 176.600 -0.168 0.000 0.980 1049 K CA 0.199 56.358 56.287 -0.213 0.000 0.953 1049 K CB 0.053 32.397 32.500 -0.259 0.000 0.925 1049 K HN 0.752 nan 8.250 nan 0.000 0.497 1050 I N -2.780 117.653 120.570 -0.228 0.000 3.074 1050 I HA 0.594 4.764 4.170 -0.000 0.000 0.310 1050 I C 0.054 176.069 176.117 -0.171 0.000 1.153 1050 I CA -1.114 60.089 61.300 -0.162 0.000 0.993 1050 I CB 2.119 40.034 38.000 -0.141 0.000 1.237 1050 I HN 0.562 nan 8.210 nan 0.000 0.443 1051 G N 0.997 109.719 108.800 -0.130 0.000 2.671 1051 G HA2 0.578 4.538 3.960 -0.000 0.000 0.275 1051 G HA3 0.578 4.538 3.960 -0.000 0.000 0.275 1051 G C -1.944 172.886 174.900 -0.117 0.000 1.368 1051 G CA -1.089 43.938 45.100 -0.123 0.000 1.044 1051 G HN 0.583 nan 8.290 nan 0.000 0.543 1052 P HA -0.020 nan 4.420 nan 0.000 0.233 1052 P C 1.173 178.412 177.300 -0.102 0.000 1.167 1052 P CA 0.780 63.819 63.100 -0.101 0.000 0.770 1052 P CB 0.243 31.890 31.700 -0.089 0.000 0.837 1053 E N -0.109 120.034 120.200 -0.095 0.000 2.515 1053 E HA -0.113 4.237 4.350 -0.000 0.000 0.201 1053 E C 0.207 176.738 176.600 -0.115 0.000 1.071 1053 E CA 0.403 56.746 56.400 -0.094 0.000 0.880 1053 E CB -0.811 28.843 29.700 -0.077 0.000 0.828 1053 E HN 0.147 nan 8.360 nan 0.000 0.540 1054 N N 2.048 120.676 118.700 -0.121 0.000 2.469 1054 N HA 0.119 4.859 4.740 -0.000 0.000 0.253 1054 N C -1.839 173.554 175.510 -0.196 0.000 0.970 1054 N CA -1.950 51.020 53.050 -0.134 0.000 0.940 1054 N CB 1.672 40.113 38.487 -0.077 0.000 1.128 1054 N HN -0.103 nan 8.380 nan 0.000 0.503 1055 P HA 0.053 nan 4.420 nan 0.000 0.249 1055 P C -0.500 176.555 177.300 -0.408 0.000 1.229 1055 P CA 0.315 63.163 63.100 -0.419 0.000 0.788 1055 P CB 0.134 31.520 31.700 -0.522 0.000 1.072 1056 Y N 0.760 121.057 120.300 -0.004 0.000 2.354 1056 Y HA 0.551 5.101 4.550 -0.000 0.000 0.322 1056 Y C 0.898 176.816 175.900 0.030 0.000 1.253 1056 Y CA -0.613 57.506 58.100 0.032 0.000 1.272 1056 Y CB 0.535 39.032 38.460 0.061 0.000 1.255 1056 Y HN -0.136 nan 8.280 nan 0.000 0.500 1057 N N -1.064 117.783 118.700 0.245 0.000 2.636 1057 N HA 0.505 5.245 4.740 -0.000 0.000 0.261 1057 N C -1.919 173.687 175.510 0.161 0.000 1.195 1057 N CA -0.449 52.699 53.050 0.163 0.000 0.902 1057 N CB 1.821 40.364 38.487 0.094 0.000 1.627 1057 N HN 0.571 nan 8.380 nan 0.000 0.491 1058 T N 2.553 117.193 114.554 0.143 0.000 2.952 1058 T HA 0.550 4.900 4.350 -0.000 0.000 0.305 1058 T C -2.891 171.806 174.700 -0.005 0.000 1.064 1058 T CA -0.849 61.294 62.100 0.071 0.000 1.008 1058 T CB 2.208 71.103 68.868 0.045 0.000 1.078 1058 T HN 0.349 nan 8.240 nan 0.000 0.459 1059 P HA 0.396 nan 4.420 nan 0.000 0.275 1059 P C -0.855 176.171 177.300 -0.458 0.000 1.228 1059 P CA -0.398 62.561 63.100 -0.234 0.000 0.786 1059 P CB 0.878 32.475 31.700 -0.172 0.000 0.927 1060 V N -0.417 119.122 119.914 -0.625 0.000 2.914 1060 V HA 0.752 4.872 4.120 -0.000 0.000 0.314 1060 V C -0.605 174.971 176.094 -0.865 0.000 1.084 1060 V CA -0.851 61.091 62.300 -0.596 0.000 0.963 1060 V CB 1.610 33.227 31.823 -0.343 0.000 1.025 1060 V HN 0.412 nan 8.190 nan 0.000 0.432 1061 F N 0.069 119.951 119.950 -0.113 0.000 2.692 1061 F HA 0.917 5.444 4.527 0.000 0.000 0.320 1061 F C 0.121 175.849 175.800 -0.119 0.000 1.123 1061 F CA -0.621 57.291 58.000 -0.146 0.000 0.961 1061 F CB 2.114 40.973 39.000 -0.235 0.000 1.383 1061 F HN 0.844 nan 8.300 nan 0.000 0.483 1062 A N 1.849 124.727 122.820 0.096 0.000 2.335 1062 A HA 0.836 5.156 4.320 -0.000 0.000 0.304 1062 A C -0.910 176.837 177.584 0.273 0.000 1.118 1062 A CA -0.549 51.548 52.037 0.099 0.000 0.757 1062 A CB 0.598 19.499 19.000 -0.164 0.000 1.188 1062 A HN 0.720 nan 8.150 nan 0.000 0.460 1063 I N -1.161 119.590 120.570 0.302 0.000 3.023 1063 I HA 0.674 4.844 4.170 -0.000 0.000 0.312 1063 I C -0.536 175.675 176.117 0.157 0.000 1.056 1063 I CA -1.240 60.193 61.300 0.220 0.000 1.033 1063 I CB 1.744 39.818 38.000 0.123 0.000 1.233 1063 I HN 0.216 nan 8.210 nan 0.000 0.462 1064 K N 2.583 122.930 120.400 -0.090 0.000 2.227 1064 K HA 0.221 4.541 4.320 -0.000 0.000 0.280 1064 K C 0.180 176.683 176.600 -0.162 0.000 1.041 1064 K CA -0.453 55.666 56.287 -0.280 0.000 0.905 1064 K CB 1.882 34.150 32.500 -0.387 0.000 1.068 1064 K HN 0.627 nan 8.250 nan 0.000 0.470 1065 K N 3.090 123.406 120.400 -0.140 0.000 2.471 1065 K HA -0.267 4.053 4.320 -0.000 0.000 0.228 1065 K C 0.258 176.779 176.600 -0.132 0.000 0.710 1065 K CA 1.987 58.210 56.287 -0.106 0.000 0.900 1065 K CB -0.018 32.422 32.500 -0.100 0.000 0.385 1065 K HN 0.436 nan 8.250 nan 0.000 0.972 1066 K N -0.013 120.304 120.400 -0.138 0.000 3.163 1066 K HA 0.074 4.394 4.320 -0.000 0.000 0.186 1066 K C -1.248 175.267 176.600 -0.142 0.000 1.111 1066 K CA 0.478 56.670 56.287 -0.158 0.000 0.918 1066 K CB 0.384 32.793 32.500 -0.151 0.000 1.059 1066 K HN 0.555 nan 8.250 nan 0.000 0.558 1067 D N -0.381 119.930 120.400 -0.148 0.000 3.091 1067 D HA -0.155 4.485 4.640 -0.000 0.000 0.216 1067 D C 0.049 176.267 176.300 -0.136 0.000 1.129 1067 D CA 1.324 55.244 54.000 -0.134 0.000 0.913 1067 D CB -1.138 39.600 40.800 -0.103 0.000 1.101 1067 D HN 0.468 nan 8.370 nan 0.000 0.426 1068 S N -2.082 113.525 115.700 -0.154 0.000 2.430 1068 S HA 0.598 5.068 4.470 -0.000 0.000 0.246 1068 S C 1.593 176.069 174.600 -0.205 0.000 1.155 1068 S CA 0.857 58.970 58.200 -0.146 0.000 1.054 1068 S CB 0.724 63.854 63.200 -0.118 0.000 1.154 1068 S HN 0.338 nan 8.310 nan 0.000 0.482 1069 T N -2.999 111.437 114.554 -0.196 0.000 2.955 1069 T HA 0.340 4.690 4.350 -0.000 0.000 0.251 1069 T C 0.428 174.943 174.700 -0.308 0.000 1.002 1069 T CA -0.238 61.709 62.100 -0.256 0.000 0.970 1069 T CB -0.409 68.370 68.868 -0.148 0.000 1.091 1069 T HN 0.442 nan 8.240 nan 0.000 0.495 1070 K N 1.309 121.597 120.400 -0.187 0.000 2.412 1070 K HA 0.177 4.497 4.320 -0.000 0.000 0.284 1070 K C -1.142 175.396 176.600 -0.104 0.000 1.046 1070 K CA -0.558 55.672 56.287 -0.096 0.000 0.999 1070 K CB 0.241 32.720 32.500 -0.035 0.000 0.941 1070 K HN 0.379 nan 8.250 nan 0.000 0.474 1071 W N 4.602 125.891 121.300 -0.019 0.000 2.303 1071 W HA 0.134 4.794 4.660 0.000 0.000 0.318 1071 W C 0.925 177.436 176.519 -0.014 0.000 1.362 1071 W CA -0.375 56.957 57.345 -0.021 0.000 1.234 1071 W CB 0.516 29.964 29.460 -0.021 0.000 1.248 1071 W HN 0.296 nan 8.180 nan 0.000 0.546 1072 R N 3.961 124.614 120.500 0.255 0.000 2.540 1072 R HA 0.333 4.673 4.340 -0.000 0.000 0.287 1072 R C -0.543 175.853 176.300 0.159 0.000 0.980 1072 R CA -0.840 55.355 56.100 0.158 0.000 0.966 1072 R CB 1.424 31.779 30.300 0.090 0.000 1.106 1072 R HN 0.475 nan 8.270 nan 0.000 0.480 1073 K N 3.056 123.524 120.400 0.113 0.000 2.172 1073 K HA 0.266 4.586 4.320 -0.000 0.000 0.276 1073 K C -1.133 175.514 176.600 0.078 0.000 1.013 1073 K CA -0.549 55.778 56.287 0.067 0.000 0.913 1073 K CB 0.794 33.305 32.500 0.018 0.000 1.055 1073 K HN 0.312 nan 8.250 nan 0.000 0.461 1074 L N 4.846 126.107 121.223 0.063 0.000 2.381 1074 L HA 0.408 4.748 4.340 -0.000 0.000 0.274 1074 L C -1.599 175.282 176.870 0.017 0.000 0.988 1074 L CA -0.609 54.288 54.840 0.096 0.000 0.824 1074 L CB 1.975 44.140 42.059 0.177 0.000 1.263 1074 L HN 0.358 nan 8.230 nan 0.000 0.410 1075 V N 3.212 123.084 119.914 -0.071 0.000 2.459 1075 V HA 0.370 4.490 4.120 -0.000 0.000 0.295 1075 V C -0.642 175.287 176.094 -0.274 0.000 1.029 1075 V CA -0.668 61.431 62.300 -0.335 0.000 0.874 1075 V CB 1.675 33.069 31.823 -0.716 0.000 0.985 1075 V HN 0.722 nan 8.190 nan 0.000 0.438 1076 D N 3.337 123.621 120.400 -0.193 0.000 2.453 1076 D HA 0.228 4.868 4.640 -0.000 0.000 0.223 1076 D C 0.072 176.312 176.300 -0.100 0.000 1.183 1076 D CA -0.231 53.771 54.000 0.002 0.000 0.933 1076 D CB 0.229 41.177 40.800 0.247 0.000 1.038 1076 D HN 0.352 nan 8.370 nan 0.000 0.513 1077 F N 2.070 122.092 119.950 0.120 0.000 2.663 1077 F HA 0.272 4.799 4.527 -0.000 0.000 0.299 1077 F C 2.044 177.913 175.800 0.115 0.000 1.143 1077 F CA -0.282 57.787 58.000 0.115 0.000 1.387 1077 F CB -0.008 39.083 39.000 0.150 0.000 1.019 1077 F HN 0.255 nan 8.300 nan 0.000 0.523 1078 R N 0.071 120.699 120.500 0.214 0.000 2.103 1078 R HA -0.174 4.166 4.340 -0.000 0.000 0.242 1078 R C 2.030 178.430 176.300 0.167 0.000 1.142 1078 R CA 1.424 57.607 56.100 0.139 0.000 0.960 1078 R CB -0.135 30.167 30.300 0.004 0.000 0.858 1078 R HN 0.175 nan 8.270 nan 0.000 0.439 1079 E N 0.651 120.952 120.200 0.169 0.000 2.047 1079 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 1079 E C 1.951 178.667 176.600 0.193 0.000 0.987 1079 E CA 0.882 57.378 56.400 0.160 0.000 0.799 1079 E CB -0.277 29.507 29.700 0.140 0.000 0.752 1079 E HN 0.128 nan 8.360 nan 0.000 0.449 1080 L N 1.843 123.211 121.223 0.242 0.000 2.131 1080 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 1080 L C 1.602 178.686 176.870 0.358 0.000 1.092 1080 L CA 1.495 56.467 54.840 0.220 0.000 0.759 1080 L CB -0.549 41.605 42.059 0.159 0.000 0.903 1080 L HN 0.008 nan 8.230 nan 0.000 0.435 1081 N N 0.134 119.073 118.700 0.398 0.000 2.084 1081 N HA -0.197 4.543 4.740 -0.000 0.000 0.190 1081 N C 1.795 177.666 175.510 0.601 0.000 1.030 1081 N CA 1.471 54.798 53.050 0.461 0.000 0.849 1081 N CB -0.221 38.378 38.487 0.186 0.000 1.012 1081 N HN 0.385 nan 8.380 nan 0.000 0.423 1082 K N 0.534 121.164 120.400 0.383 0.000 2.152 1082 K HA -0.009 4.311 4.320 -0.000 0.000 0.206 1082 K C 1.496 178.231 176.600 0.225 0.000 1.048 1082 K CA 0.974 57.437 56.287 0.293 0.000 0.933 1082 K CB 0.024 32.634 32.500 0.184 0.000 0.721 1082 K HN 0.190 nan 8.250 nan 0.000 0.447 1083 R N -0.391 120.238 120.500 0.214 0.000 2.320 1083 R HA 0.056 4.396 4.340 -0.000 0.000 0.211 1083 R C 0.634 177.033 176.300 0.164 0.000 0.931 1083 R CA 0.599 56.776 56.100 0.128 0.000 1.071 1083 R CB 0.497 30.825 30.300 0.047 0.000 1.025 1083 R HN 0.039 nan 8.270 nan 0.000 0.495 1084 T N -0.398 114.350 114.554 0.323 0.000 3.058 1084 T HA -0.012 4.338 4.350 -0.000 0.000 0.278 1084 T C 1.243 176.026 174.700 0.139 0.000 0.974 1084 T CA -0.308 62.022 62.100 0.384 0.000 0.893 1084 T CB 0.682 70.007 68.868 0.762 0.000 1.138 1084 T HN 0.180 nan 8.240 nan 0.000 0.529 1085 Q N 2.554 122.325 119.800 -0.048 0.000 2.028 1085 Q HA -0.318 4.022 4.340 -0.000 0.000 0.215 1085 Q C 1.839 177.255 176.000 -0.973 0.000 1.041 1085 Q CA 2.862 58.175 55.803 -0.816 0.000 0.897 1085 Q CB -0.232 28.288 28.738 -0.363 0.000 1.017 1085 Q HN 0.639 nan 8.270 nan 0.000 0.418 1086 D N -0.776 119.367 120.400 -0.428 0.000 2.218 1086 D HA -0.201 4.439 4.640 -0.000 0.000 0.204 1086 D C 1.824 177.979 176.300 -0.242 0.000 0.976 1086 D CA 1.175 54.988 54.000 -0.312 0.000 0.853 1086 D CB -0.631 40.078 40.800 -0.152 0.000 0.939 1086 D HN 0.459 nan 8.370 nan 0.000 0.481 1087 F N 2.223 121.996 119.950 -0.294 0.000 2.084 1087 F HA -0.113 4.414 4.527 -0.000 0.000 0.296 1087 F C 2.275 177.994 175.800 -0.135 0.000 1.111 1087 F CA 1.655 59.559 58.000 -0.159 0.000 1.224 1087 F CB -0.506 38.460 39.000 -0.056 0.000 0.991 1087 F HN 0.105 nan 8.300 nan 0.000 0.471 1088 W N 0.464 121.616 121.300 -0.247 0.000 3.003 1088 W HA 0.149 4.809 4.660 -0.000 0.000 0.257 1088 W C 1.616 177.982 176.519 -0.254 0.000 1.308 1088 W CA 0.758 57.855 57.345 -0.413 0.000 1.529 1088 W CB -0.969 28.307 29.460 -0.306 0.000 1.115 1088 W HN 0.316 nan 8.180 nan 0.000 0.659 1089 E N 1.591 121.514 120.200 -0.462 0.000 2.201 1089 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 1089 E C 2.190 178.668 176.600 -0.204 0.000 0.957 1089 E CA 1.054 57.259 56.400 -0.324 0.000 0.858 1089 E CB 0.193 29.480 29.700 -0.688 0.000 0.816 1089 E HN 0.049 nan 8.360 nan 0.000 0.475 1090 V N -0.988 118.778 119.914 -0.248 0.000 2.854 1090 V HA 0.035 4.155 4.120 -0.000 0.000 0.236 1090 V C 2.158 178.158 176.094 -0.158 0.000 1.157 1090 V CA 1.054 63.255 62.300 -0.164 0.000 1.187 1090 V CB -0.072 31.663 31.823 -0.146 0.000 0.949 1090 V HN 0.220 nan 8.190 nan 0.000 0.488 1091 Q N -0.314 119.370 119.800 -0.193 0.000 2.096 1091 Q HA -0.100 4.240 4.340 -0.000 0.000 0.204 1091 Q C 0.919 176.773 176.000 -0.243 0.000 0.982 1091 Q CA 2.242 57.933 55.803 -0.186 0.000 0.850 1091 Q CB 0.077 28.718 28.738 -0.162 0.000 0.901 1091 Q HN 0.633 nan 8.270 nan 0.000 0.422 1092 L N -0.003 121.004 121.223 -0.361 0.000 3.347 1092 L HA 0.358 4.698 4.340 -0.000 0.000 0.306 1092 L C 0.322 177.069 176.870 -0.205 0.000 1.301 1092 L CA -0.087 54.562 54.840 -0.320 0.000 0.985 1092 L CB 0.788 42.541 42.059 -0.511 0.000 1.400 1092 L HN 0.067 nan 8.230 nan 0.000 0.601 1093 G N 0.176 108.897 108.800 -0.130 0.000 2.720 1093 G HA2 0.294 4.254 3.960 -0.000 0.000 0.237 1093 G HA3 0.294 4.254 3.960 -0.000 0.000 0.237 1093 G C -0.111 174.796 174.900 0.012 0.000 1.239 1093 G CA -0.085 44.998 45.100 -0.028 0.000 0.847 1093 G HN 0.191 nan 8.290 nan 0.000 0.593 1094 I N 1.682 122.307 120.570 0.091 0.000 2.439 1094 I HA 0.208 4.378 4.170 -0.000 0.000 0.283 1094 I C -2.079 174.171 176.117 0.221 0.000 1.023 1094 I CA -1.599 59.782 61.300 0.134 0.000 1.100 1094 I CB 2.154 40.241 38.000 0.145 0.000 1.238 1094 I HN 0.267 nan 8.210 nan 0.000 0.445 1095 P HA -0.031 nan 4.420 nan 0.000 0.265 1095 P C -0.671 176.733 177.300 0.174 0.000 1.187 1095 P CA 0.159 63.346 63.100 0.146 0.000 0.766 1095 P CB 0.276 32.022 31.700 0.076 0.000 0.820 1096 H N 4.796 123.848 119.070 -0.031 0.000 2.541 1096 H HA 0.257 4.813 4.556 -0.000 0.000 0.316 1096 H C -2.246 172.904 175.328 -0.297 0.000 1.043 1096 H CA -2.189 53.639 56.048 -0.367 0.000 1.232 1096 H CB 0.948 30.490 29.762 -0.366 0.000 1.406 1096 H HN 0.283 nan 8.280 nan 0.000 0.469 1097 P HA 0.104 nan 4.420 nan 0.000 0.276 1097 P C 0.502 177.463 177.300 -0.565 0.000 1.253 1097 P CA -0.222 62.569 63.100 -0.515 0.000 0.766 1097 P CB 1.134 32.624 31.700 -0.350 0.000 0.845 1098 A N 4.124 126.805 122.820 -0.231 0.000 2.019 1098 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 1098 A C 2.229 179.729 177.584 -0.140 0.000 1.164 1098 A CA 1.781 53.749 52.037 -0.114 0.000 0.644 1098 A CB -1.323 17.660 19.000 -0.029 0.000 0.805 1098 A HN 0.624 nan 8.150 nan 0.000 0.449 1099 G N -0.246 108.463 108.800 -0.151 0.000 2.422 1099 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.218 1099 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.218 1099 G C 1.404 176.218 174.900 -0.143 0.000 1.140 1099 G CA 1.016 46.042 45.100 -0.123 0.000 0.775 1099 G HN 0.451 nan 8.290 nan 0.000 0.545 1100 L N 1.865 122.969 121.223 -0.199 0.000 1.997 1100 L HA -0.185 4.155 4.340 -0.000 0.000 0.216 1100 L C 2.980 179.749 176.870 -0.167 0.000 1.074 1100 L CA 2.841 57.575 54.840 -0.177 0.000 0.763 1100 L CB -0.567 41.348 42.059 -0.241 0.000 0.890 1100 L HN 0.496 nan 8.230 nan 0.000 0.434 1101 K N -0.986 119.311 120.400 -0.172 0.000 2.281 1101 K HA -0.221 4.099 4.320 -0.000 0.000 0.203 1101 K C 1.920 178.414 176.600 -0.176 0.000 1.046 1101 K CA 1.772 57.957 56.287 -0.171 0.000 0.938 1101 K CB -0.383 32.022 32.500 -0.158 0.000 0.737 1101 K HN 0.354 nan 8.250 nan 0.000 0.458 1102 K N 0.922 121.236 120.400 -0.144 0.000 2.167 1102 K HA 0.046 4.366 4.320 -0.000 0.000 0.203 1102 K C 0.207 176.724 176.600 -0.139 0.000 1.052 1102 K CA 0.360 56.574 56.287 -0.123 0.000 0.956 1102 K CB 0.124 32.570 32.500 -0.090 0.000 0.735 1102 K HN -0.013 nan 8.250 nan 0.000 0.451 1103 K N 1.958 122.271 120.400 -0.145 0.000 2.524 1103 K HA -0.092 4.228 4.320 -0.000 0.000 0.279 1103 K C 0.764 177.258 176.600 -0.176 0.000 0.993 1103 K CA 0.551 56.754 56.287 -0.141 0.000 1.030 1103 K CB 0.532 32.958 32.500 -0.122 0.000 0.891 1103 K HN 0.054 nan 8.250 nan 0.000 0.488 1104 K N 0.783 121.096 120.400 -0.144 0.000 2.147 1104 K HA -0.065 4.255 4.320 -0.000 0.000 0.205 1104 K C -0.064 176.477 176.600 -0.099 0.000 1.049 1104 K CA 0.975 57.184 56.287 -0.131 0.000 0.936 1104 K CB 0.284 32.719 32.500 -0.109 0.000 0.722 1104 K HN 0.426 nan 8.250 nan 0.000 0.446 1105 S N -0.510 115.061 115.700 -0.215 0.000 2.536 1105 S HA 0.413 4.883 4.470 -0.000 0.000 0.271 1105 S C -1.385 172.985 174.600 -0.384 0.000 1.134 1105 S CA -0.849 57.148 58.200 -0.340 0.000 0.897 1105 S CB 2.699 65.537 63.200 -0.604 0.000 1.094 1105 S HN -0.107 nan 8.310 nan 0.000 0.473 1106 V N 2.461 122.189 119.914 -0.311 0.000 2.623 1106 V HA 0.543 4.663 4.120 -0.000 0.000 0.304 1106 V C -0.415 175.629 176.094 -0.084 0.000 1.054 1106 V CA -0.516 61.716 62.300 -0.114 0.000 0.882 1106 V CB 2.217 33.998 31.823 -0.071 0.000 1.002 1106 V HN 0.906 nan 8.190 nan 0.000 0.424 1107 T N 4.155 118.739 114.554 0.050 0.000 2.824 1107 T HA 0.569 4.919 4.350 -0.000 0.000 0.280 1107 T C -0.328 174.303 174.700 -0.114 0.000 0.995 1107 T CA -0.361 61.728 62.100 -0.018 0.000 1.009 1107 T CB 1.662 70.562 68.868 0.054 0.000 0.955 1107 T HN 0.353 nan 8.240 nan 0.000 0.452 1108 V N 5.214 125.015 119.914 -0.188 0.000 2.370 1108 V HA 0.465 4.585 4.120 -0.000 0.000 0.279 1108 V C -0.243 175.785 176.094 -0.109 0.000 1.029 1108 V CA -0.675 61.471 62.300 -0.257 0.000 0.870 1108 V CB 0.826 32.564 31.823 -0.141 0.000 0.984 1108 V HN 0.688 nan 8.190 nan 0.000 0.451 1109 L N 3.614 124.735 121.223 -0.169 0.000 2.346 1109 L HA 0.561 4.901 4.340 -0.000 0.000 0.276 1109 L C -0.345 176.450 176.870 -0.125 0.000 1.006 1109 L CA -0.650 54.123 54.840 -0.111 0.000 0.817 1109 L CB 2.099 44.091 42.059 -0.111 0.000 1.272 1109 L HN 0.500 nan 8.230 nan 0.000 0.421 1110 D N 2.170 122.507 120.400 -0.105 0.000 2.339 1110 D HA 0.199 4.839 4.640 -0.000 0.000 0.241 1110 D C 0.366 176.565 176.300 -0.169 0.000 1.183 1110 D CA -0.189 53.736 54.000 -0.126 0.000 0.859 1110 D CB 1.642 42.376 40.800 -0.110 0.000 1.067 1110 D HN 0.292 nan 8.370 nan 0.000 0.484 1111 V N 2.080 121.857 119.914 -0.229 0.000 3.121 1111 V HA 0.429 4.549 4.120 -0.000 0.000 0.344 1111 V C 1.637 177.376 176.094 -0.591 0.000 1.390 1111 V CA 0.220 62.331 62.300 -0.316 0.000 1.177 1111 V CB 0.383 32.054 31.823 -0.253 0.000 1.163 1111 V HN 0.443 nan 8.190 nan 0.000 0.484 1112 G N 1.076 109.554 108.800 -0.538 0.000 2.421 1112 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 1112 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 1112 G C 0.975 175.359 174.900 -0.861 0.000 1.171 1112 G CA 1.246 45.899 45.100 -0.744 0.000 0.775 1112 G HN 0.524 nan 8.290 nan 0.000 0.543 1113 D N 1.093 121.171 120.400 -0.537 0.000 2.271 1113 D HA -0.067 4.573 4.640 -0.000 0.000 0.207 1113 D C 2.631 178.651 176.300 -0.466 0.000 0.983 1113 D CA 1.038 54.783 54.000 -0.425 0.000 0.878 1113 D CB -0.388 40.338 40.800 -0.123 0.000 0.920 1113 D HN 0.350 nan 8.370 nan 0.000 0.479 1114 A N -0.240 122.237 122.820 -0.572 0.000 2.070 1114 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 1114 A C 1.794 179.003 177.584 -0.626 0.000 1.159 1114 A CA 0.814 52.534 52.037 -0.528 0.000 0.656 1114 A CB -0.909 17.725 19.000 -0.610 0.000 0.800 1114 A HN 0.410 nan 8.150 nan 0.000 0.453 1115 Y N -2.244 117.637 120.300 -0.699 0.000 2.457 1115 Y HA -0.073 4.477 4.550 0.000 0.000 0.292 1115 Y C 1.302 177.104 175.900 -0.163 0.000 1.125 1115 Y CA -0.129 57.641 58.100 -0.551 0.000 1.254 1115 Y CB -0.074 38.086 38.460 -0.499 0.000 1.012 1115 Y HN 0.312 nan 8.280 nan 0.000 0.555 1116 F N -0.650 119.362 119.950 0.103 0.000 2.805 1116 F HA -0.056 4.471 4.527 -0.000 0.000 0.301 1116 F C 1.801 177.681 175.800 0.132 0.000 1.196 1116 F CA 0.157 58.239 58.000 0.136 0.000 1.439 1116 F CB -0.646 38.421 39.000 0.112 0.000 1.117 1116 F HN -0.079 nan 8.300 nan 0.000 0.581 1117 S N -1.222 114.645 115.700 0.279 0.000 2.492 1117 S HA 0.142 4.612 4.470 -0.000 0.000 0.218 1117 S C 0.730 175.487 174.600 0.261 0.000 1.016 1117 S CA -0.030 58.322 58.200 0.253 0.000 0.916 1117 S CB 0.380 63.729 63.200 0.248 0.000 0.791 1117 S HN -0.068 nan 8.310 nan 0.000 0.513 1118 V N 5.075 125.162 119.914 0.288 0.000 2.509 1118 V HA 0.351 4.471 4.120 -0.000 0.000 0.284 1118 V C -2.253 173.987 176.094 0.243 0.000 1.047 1118 V CA -2.066 60.399 62.300 0.275 0.000 0.952 1118 V CB 1.188 33.209 31.823 0.330 0.000 0.988 1118 V HN 0.159 nan 8.190 nan 0.000 0.469 1119 P HA 0.346 nan 4.420 nan 0.000 0.279 1119 P C -0.997 176.418 177.300 0.191 0.000 1.252 1119 P CA -0.584 62.629 63.100 0.189 0.000 0.811 1119 P CB 1.797 33.587 31.700 0.149 0.000 1.035 1120 L N 1.743 123.083 121.223 0.196 0.000 2.325 1120 L HA 0.390 4.730 4.340 -0.000 0.000 0.279 1120 L C -0.016 176.953 176.870 0.165 0.000 1.054 1120 L CA -0.471 54.490 54.840 0.202 0.000 0.804 1120 L CB 0.484 42.682 42.059 0.232 0.000 1.200 1120 L HN 0.280 nan 8.230 nan 0.000 0.436 1121 D N 2.454 122.946 120.400 0.152 0.000 2.520 1121 D HA -0.062 4.578 4.640 -0.000 0.000 0.243 1121 D C 1.113 177.493 176.300 0.133 0.000 1.160 1121 D CA 0.433 54.508 54.000 0.125 0.000 0.877 1121 D CB 0.914 41.773 40.800 0.098 0.000 1.150 1121 D HN 0.627 nan 8.370 nan 0.000 0.494 1122 E N 3.012 123.269 120.200 0.095 0.000 2.187 1122 E HA -0.266 4.084 4.350 -0.000 0.000 0.199 1122 E C 0.550 177.180 176.600 0.050 0.000 1.004 1122 E CA 1.123 57.563 56.400 0.067 0.000 0.813 1122 E CB -0.159 29.570 29.700 0.048 0.000 0.736 1122 E HN 0.618 nan 8.360 nan 0.000 0.468 1123 D N -0.553 119.891 120.400 0.074 0.000 2.363 1123 D HA -0.009 4.631 4.640 -0.000 0.000 0.226 1123 D C 0.860 177.221 176.300 0.101 0.000 1.020 1123 D CA 0.322 54.360 54.000 0.063 0.000 0.892 1123 D CB -0.144 40.705 40.800 0.082 0.000 0.900 1123 D HN 0.189 nan 8.370 nan 0.000 0.531 1124 F N 0.675 120.599 119.950 -0.044 0.000 2.724 1124 F HA 0.210 4.737 4.527 -0.000 0.000 0.306 1124 F C 1.899 177.636 175.800 -0.106 0.000 1.100 1124 F CA -0.180 57.806 58.000 -0.025 0.000 1.255 1124 F CB 0.326 39.300 39.000 -0.045 0.000 1.072 1124 F HN -0.293 nan 8.300 nan 0.000 0.589 1125 R N 1.180 121.635 120.500 -0.075 0.000 2.105 1125 R HA -0.192 4.148 4.340 -0.000 0.000 0.239 1125 R C 2.180 178.350 176.300 -0.218 0.000 1.135 1125 R CA 1.984 58.022 56.100 -0.103 0.000 0.967 1125 R CB -0.505 29.796 30.300 0.001 0.000 0.861 1125 R HN 0.370 nan 8.270 nan 0.000 0.442 1126 K N -0.150 120.056 120.400 -0.324 0.000 2.218 1126 K HA -0.186 4.134 4.320 -0.000 0.000 0.205 1126 K C 1.144 177.534 176.600 -0.351 0.000 1.046 1126 K CA 1.622 57.724 56.287 -0.308 0.000 0.933 1126 K CB -0.363 31.935 32.500 -0.337 0.000 0.728 1126 K HN 0.200 nan 8.250 nan 0.000 0.454 1127 Y N 2.369 122.380 120.300 -0.481 0.000 2.616 1127 Y HA -0.035 4.515 4.550 -0.000 0.000 0.296 1127 Y C 1.826 177.489 175.900 -0.395 0.000 1.154 1127 Y CA 1.032 58.731 58.100 -0.669 0.000 1.325 1127 Y CB -0.235 37.573 38.460 -1.087 0.000 1.007 1127 Y HN 0.322 nan 8.280 nan 0.000 0.542 1128 T N -2.578 111.907 114.554 -0.114 0.000 3.243 1128 T HA 0.613 4.963 4.350 -0.000 0.000 0.264 1128 T C 0.587 175.517 174.700 0.384 0.000 1.000 1128 T CA -0.213 61.996 62.100 0.181 0.000 0.901 1128 T CB -0.599 68.369 68.868 0.167 0.000 1.083 1128 T HN 0.159 nan 8.240 nan 0.000 0.559 1129 A N 1.821 124.783 122.820 0.237 0.000 2.425 1129 A HA 0.641 4.961 4.320 -0.000 0.000 0.249 1129 A C -0.156 177.605 177.584 0.294 0.000 1.084 1129 A CA -0.614 51.536 52.037 0.189 0.000 0.781 1129 A CB -0.214 18.837 19.000 0.085 0.000 1.019 1129 A HN 0.806 nan 8.150 nan 0.000 0.490 1130 F N -1.072 118.931 119.950 0.088 0.000 2.643 1130 F HA 0.803 5.330 4.527 0.000 0.000 0.314 1130 F C -0.441 175.371 175.800 0.020 0.000 1.096 1130 F CA -0.855 57.168 58.000 0.039 0.000 0.953 1130 F CB 1.379 40.396 39.000 0.028 0.000 1.345 1130 F HN 0.337 nan 8.300 nan 0.000 0.468 1131 T N 2.675 117.309 114.554 0.133 0.000 2.841 1131 T HA 0.560 4.910 4.350 -0.000 0.000 0.285 1131 T C -0.526 174.216 174.700 0.071 0.000 0.991 1131 T CA -0.372 61.726 62.100 -0.004 0.000 0.966 1131 T CB 1.385 70.230 68.868 -0.039 0.000 0.962 1131 T HN 0.584 nan 8.240 nan 0.000 0.438 1132 I N 6.313 126.910 120.570 0.045 0.000 2.301 1132 I HA 0.269 4.439 4.170 -0.000 0.000 0.292 1132 I C -1.701 174.402 176.117 -0.024 0.000 1.046 1132 I CA -2.123 59.206 61.300 0.049 0.000 1.282 1132 I CB 1.207 39.258 38.000 0.085 0.000 1.409 1132 I HN 0.346 nan 8.210 nan 0.000 0.484 1133 P HA 0.194 nan 4.420 nan 0.000 0.279 1133 P C -0.790 176.473 177.300 -0.061 0.000 1.282 1133 P CA -0.361 62.704 63.100 -0.058 0.000 0.788 1133 P CB 1.138 32.800 31.700 -0.064 0.000 1.139 1134 S N -1.268 114.392 115.700 -0.066 0.000 2.568 1134 S HA 0.528 4.998 4.470 -0.000 0.000 0.293 1134 S C 0.102 174.663 174.600 -0.064 0.000 1.089 1134 S CA -0.992 57.170 58.200 -0.063 0.000 0.945 1134 S CB 0.527 63.691 63.200 -0.061 0.000 1.077 1134 S HN 0.283 nan 8.310 nan 0.000 0.485 1135 I N 2.735 123.269 120.570 -0.061 0.000 2.668 1135 I HA 0.073 4.243 4.170 -0.000 0.000 0.285 1135 I C 1.075 177.160 176.117 -0.055 0.000 1.168 1135 I CA 0.412 61.677 61.300 -0.058 0.000 1.424 1135 I CB -0.403 37.565 38.000 -0.053 0.000 1.377 1135 I HN 1.002 nan 8.210 nan 0.000 0.560 1136 N N 5.268 123.934 118.700 -0.057 0.000 2.741 1136 N HA -0.267 4.473 4.740 -0.000 0.000 0.251 1136 N C 0.019 175.496 175.510 -0.054 0.000 1.112 1136 N CA 1.072 54.090 53.050 -0.053 0.000 0.750 1136 N CB -0.994 37.467 38.487 -0.044 0.000 1.119 1136 N HN 0.814 nan 8.380 nan 0.000 0.561 1137 N N -0.943 117.721 118.700 -0.060 0.000 2.710 1137 N HA -0.230 4.510 4.740 -0.000 0.000 0.249 1137 N C 0.120 175.597 175.510 -0.054 0.000 1.059 1137 N CA 1.329 54.343 53.050 -0.060 0.000 0.720 1137 N CB -1.049 37.401 38.487 -0.062 0.000 0.983 1137 N HN 0.729 nan 8.380 nan 0.000 0.544 1138 E N -0.556 119.613 120.200 -0.051 0.000 2.371 1138 E HA -0.024 4.326 4.350 -0.000 0.000 0.194 1138 E C 0.832 177.403 176.600 -0.048 0.000 1.012 1138 E CA 0.945 57.318 56.400 -0.046 0.000 0.860 1138 E CB 0.294 29.968 29.700 -0.042 0.000 0.811 1138 E HN 0.587 nan 8.360 nan 0.000 0.502 1139 T N -3.137 111.384 114.554 -0.054 0.000 2.900 1139 T HA 0.285 4.635 4.350 -0.000 0.000 0.295 1139 T C -2.322 172.338 174.700 -0.066 0.000 1.044 1139 T CA -2.051 60.014 62.100 -0.058 0.000 0.995 1139 T CB 1.870 70.703 68.868 -0.059 0.000 1.072 1139 T HN -0.335 nan 8.240 nan 0.000 0.473 1140 P HA 0.090 nan 4.420 nan 0.000 0.217 1140 P C 0.731 177.978 177.300 -0.090 0.000 1.162 1140 P CA 2.169 65.221 63.100 -0.080 0.000 0.901 1140 P CB -0.391 31.258 31.700 -0.086 0.000 0.793 1141 G N -1.205 107.535 108.800 -0.101 0.000 3.400 1141 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.679 1141 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.679 1141 G C -0.686 174.121 174.900 -0.155 0.000 1.239 1141 G CA -0.951 44.084 45.100 -0.109 0.000 1.049 1141 G HN 0.130 nan 8.290 nan 0.000 0.539 1142 I N 3.147 123.614 120.570 -0.172 0.000 2.517 1142 I HA 0.279 4.449 4.170 -0.000 0.000 0.285 1142 I C 1.057 176.932 176.117 -0.404 0.000 1.106 1142 I CA -0.009 61.113 61.300 -0.298 0.000 1.402 1142 I CB 0.435 38.291 38.000 -0.240 0.000 1.399 1142 I HN 0.278 nan 8.210 nan 0.000 0.535 1143 R N 6.095 126.264 120.500 -0.552 0.000 2.637 1143 R HA 0.654 4.994 4.340 -0.000 0.000 0.291 1143 R C -1.386 174.435 176.300 -0.797 0.000 0.963 1143 R CA -0.931 54.838 56.100 -0.551 0.000 0.901 1143 R CB 2.065 32.160 30.300 -0.341 0.000 1.160 1143 R HN 0.436 nan 8.270 nan 0.000 0.457 1144 Y N -0.083 119.776 120.300 -0.734 0.000 2.644 1144 Y HA 0.276 4.827 4.550 0.000 0.000 0.338 1144 Y C -0.187 175.393 175.900 -0.533 0.000 1.119 1144 Y CA -0.902 56.780 58.100 -0.696 0.000 1.060 1144 Y CB 2.196 40.081 38.460 -0.957 0.000 1.294 1144 Y HN 0.487 nan 8.280 nan 0.000 0.472 1145 Q N -0.525 119.241 119.800 -0.056 0.000 2.456 1145 Q HA 0.561 4.901 4.340 -0.000 0.000 0.284 1145 Q C -2.141 173.901 176.000 0.071 0.000 1.061 1145 Q CA -1.143 54.706 55.803 0.077 0.000 0.799 1145 Q CB 2.312 31.069 28.738 0.032 0.000 1.445 1145 Q HN 0.591 nan 8.270 nan 0.000 0.411 1146 Y N 0.937 121.344 120.300 0.178 0.000 2.307 1146 Y HA 0.276 4.826 4.550 -0.000 0.000 0.324 1146 Y C 0.895 176.856 175.900 0.102 0.000 1.238 1146 Y CA -0.008 58.186 58.100 0.157 0.000 1.280 1146 Y CB 1.074 39.649 38.460 0.192 0.000 1.248 1146 Y HN 0.730 nan 8.280 nan 0.000 0.508 1147 N N 0.256 119.095 118.700 0.231 0.000 2.332 1147 N HA 0.072 4.812 4.740 -0.000 0.000 0.190 1147 N C -0.383 175.261 175.510 0.223 0.000 1.117 1147 N CA 0.469 53.621 53.050 0.171 0.000 0.883 1147 N CB 0.903 39.450 38.487 0.099 0.000 1.089 1147 N HN 0.387 nan 8.380 nan 0.000 0.480 1148 V N -1.568 118.536 119.914 0.316 0.000 3.166 1148 V HA 0.531 4.651 4.120 -0.000 0.000 0.317 1148 V C 0.227 176.558 176.094 0.394 0.000 1.136 1148 V CA -1.116 61.390 62.300 0.344 0.000 1.035 1148 V CB 1.313 33.367 31.823 0.385 0.000 1.110 1148 V HN -0.123 nan 8.190 nan 0.000 0.450 1149 L N 3.520 124.951 121.223 0.345 0.000 2.584 1149 L HA 0.271 4.611 4.340 -0.000 0.000 0.272 1149 L C -1.902 175.124 176.870 0.259 0.000 1.195 1149 L CA -0.988 54.013 54.840 0.269 0.000 0.920 1149 L CB 0.197 42.336 42.059 0.134 0.000 1.173 1149 L HN 0.580 nan 8.230 nan 0.000 0.489 1150 P HA 0.112 nan 4.420 nan 0.000 0.276 1150 P C -0.356 177.002 177.300 0.097 0.000 1.252 1150 P CA -0.507 62.468 63.100 -0.208 0.000 0.802 1150 P CB 1.226 32.528 31.700 -0.663 0.000 1.035 1151 Q N 0.616 120.533 119.800 0.195 0.000 2.123 1151 Q HA 0.026 4.366 4.340 -0.000 0.000 0.196 1151 Q C 2.124 178.281 176.000 0.262 0.000 0.958 1151 Q CA 1.580 57.517 55.803 0.223 0.000 0.841 1151 Q CB -0.612 28.218 28.738 0.152 0.000 0.915 1151 Q HN 0.674 nan 8.270 nan 0.000 0.455 1152 G N -0.597 108.451 108.800 0.414 0.000 3.026 1152 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.208 1152 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.208 1152 G C -0.621 174.542 174.900 0.439 0.000 1.169 1152 G CA -0.471 44.899 45.100 0.449 0.000 0.788 1152 G HN 0.168 nan 8.290 nan 0.000 0.533 1153 W N 1.283 122.551 121.300 -0.053 0.000 2.351 1153 W HA 0.496 5.156 4.660 0.000 0.000 0.311 1153 W C 0.897 177.205 176.519 -0.350 0.000 1.168 1153 W CA -1.616 55.517 57.345 -0.353 0.000 1.200 1153 W CB 1.039 30.087 29.460 -0.687 0.000 1.221 1153 W HN -0.085 nan 8.180 nan 0.000 0.519 1154 K N 3.156 123.037 120.400 -0.864 0.000 2.504 1154 K HA -0.020 4.300 4.320 -0.000 0.000 0.195 1154 K C 1.926 177.792 176.600 -1.224 0.000 1.036 1154 K CA 0.964 56.567 56.287 -1.140 0.000 0.984 1154 K CB 0.039 31.453 32.500 -1.809 0.000 0.788 1154 K HN 0.756 nan 8.250 nan 0.000 0.488 1155 G N 0.392 107.941 108.800 -2.085 0.000 2.430 1155 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.216 1155 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.216 1155 G C 1.452 175.651 174.900 -1.169 0.000 1.146 1155 G CA 0.262 44.219 45.100 -1.904 0.000 0.793 1155 G HN 0.138 nan 8.290 nan 0.000 0.537 1156 S N 1.627 116.709 115.700 -1.029 0.000 2.359 1156 S HA -0.111 4.359 4.470 -0.000 0.000 0.222 1156 S C 0.374 174.496 174.600 -0.797 0.000 1.038 1156 S CA 1.815 59.563 58.200 -0.753 0.000 1.051 1156 S CB -0.823 61.843 63.200 -0.890 0.000 0.944 1156 S HN 0.389 nan 8.310 nan 0.000 0.433 1157 P HA -0.043 nan 4.420 nan 0.000 0.217 1157 P C 1.321 178.500 177.300 -0.203 0.000 1.150 1157 P CA 1.543 64.445 63.100 -0.329 0.000 0.832 1157 P CB -0.167 31.401 31.700 -0.221 0.000 0.787 1158 A N 0.236 122.883 122.820 -0.288 0.000 1.883 1158 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 1158 A C 2.412 179.890 177.584 -0.177 0.000 1.186 1158 A CA 1.715 53.606 52.037 -0.243 0.000 0.624 1158 A CB -1.604 17.171 19.000 -0.374 0.000 0.822 1158 A HN 0.121 nan 8.150 nan 0.000 0.444 1159 I N -2.375 118.110 120.570 -0.141 0.000 2.133 1159 I HA -0.195 3.975 4.170 -0.000 0.000 0.238 1159 I C 2.226 178.364 176.117 0.035 0.000 1.074 1159 I CA 1.456 62.746 61.300 -0.016 0.000 1.342 1159 I CB -0.339 37.700 38.000 0.065 0.000 1.053 1159 I HN 0.374 nan 8.210 nan 0.000 0.404 1160 F N 1.602 121.480 119.950 -0.120 0.000 2.664 1160 F HA -0.205 4.322 4.527 -0.000 0.000 0.297 1160 F C 2.443 178.220 175.800 -0.038 0.000 1.164 1160 F CA 1.086 59.061 58.000 -0.041 0.000 1.472 1160 F CB -0.454 38.565 39.000 0.032 0.000 1.108 1160 F HN 0.129 nan 8.300 nan 0.000 0.596 1161 Q N -0.498 119.301 119.800 -0.002 0.000 2.152 1161 Q HA -0.226 4.114 4.340 -0.000 0.000 0.206 1161 Q C 2.321 178.231 176.000 -0.149 0.000 0.985 1161 Q CA 2.003 57.772 55.803 -0.057 0.000 0.863 1161 Q CB -0.195 28.509 28.738 -0.057 0.000 0.904 1161 Q HN 0.367 nan 8.270 nan 0.000 0.422 1162 S N -0.160 115.436 115.700 -0.172 0.000 2.368 1162 S HA -0.122 4.348 4.470 -0.000 0.000 0.225 1162 S C 1.993 176.418 174.600 -0.291 0.000 1.030 1162 S CA 1.361 59.451 58.200 -0.183 0.000 0.999 1162 S CB -0.108 63.013 63.200 -0.133 0.000 0.844 1162 S HN 0.398 nan 8.310 nan 0.000 0.459 1163 S N 1.098 116.492 115.700 -0.510 0.000 2.377 1163 S HA 0.021 4.491 4.470 -0.000 0.000 0.223 1163 S C 1.846 176.053 174.600 -0.655 0.000 1.030 1163 S CA 0.970 58.759 58.200 -0.684 0.000 0.970 1163 S CB -0.323 62.205 63.200 -1.121 0.000 0.830 1163 S HN 0.357 nan 8.310 nan 0.000 0.473 1164 M N 2.132 121.371 119.600 -0.602 0.000 2.202 1164 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 1164 M C 1.935 178.098 176.300 -0.229 0.000 1.063 1164 M CA 1.533 56.661 55.300 -0.285 0.000 1.097 1164 M CB -1.243 31.331 32.600 -0.044 0.000 1.382 1164 M HN 0.174 nan 8.290 nan 0.000 0.413 1165 T N 0.225 114.655 114.554 -0.207 0.000 2.777 1165 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 1165 T C 1.783 176.389 174.700 -0.157 0.000 1.040 1165 T CA 1.467 63.483 62.100 -0.139 0.000 1.141 1165 T CB -0.064 68.742 68.868 -0.105 0.000 0.868 1165 T HN 0.442 nan 8.240 nan 0.000 0.444 1166 K N 0.557 120.821 120.400 -0.227 0.000 2.057 1166 K HA 0.080 4.400 4.320 -0.000 0.000 0.206 1166 K C 2.198 178.634 176.600 -0.274 0.000 1.050 1166 K CA 1.025 57.189 56.287 -0.206 0.000 0.935 1166 K CB -0.255 32.113 32.500 -0.220 0.000 0.715 1166 K HN 0.340 nan 8.250 nan 0.000 0.439 1167 I N 1.196 121.449 120.570 -0.529 0.000 2.286 1167 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 1167 I C 1.994 177.988 176.117 -0.206 0.000 1.115 1167 I CA 1.251 62.184 61.300 -0.612 0.000 1.392 1167 I CB -0.188 37.299 38.000 -0.855 0.000 1.065 1167 I HN 0.107 nan 8.210 nan 0.000 0.418 1168 L N -0.068 121.062 121.223 -0.155 0.000 2.446 1168 L HA -0.031 4.309 4.340 -0.000 0.000 0.219 1168 L C 2.307 179.175 176.870 -0.003 0.000 1.116 1168 L CA 0.346 55.152 54.840 -0.056 0.000 0.844 1168 L CB -0.434 41.611 42.059 -0.024 0.000 0.970 1168 L HN 0.229 nan 8.230 nan 0.000 0.457 1169 E N 1.073 121.261 120.200 -0.020 0.000 2.055 1169 E HA -0.259 4.091 4.350 -0.000 0.000 0.209 1169 E C -0.532 176.082 176.600 0.024 0.000 1.036 1169 E CA 2.185 58.587 56.400 0.004 0.000 0.849 1169 E CB -0.655 29.048 29.700 0.006 0.000 0.767 1169 E HN 0.266 nan 8.360 nan 0.000 0.461 1170 P HA -0.198 nan 4.420 nan 0.000 0.214 1170 P C 1.203 178.518 177.300 0.024 0.000 1.169 1170 P CA 1.362 64.516 63.100 0.090 0.000 0.908 1170 P CB -0.227 31.608 31.700 0.226 0.000 0.791 1171 F N 0.730 120.516 119.950 -0.274 0.000 2.161 1171 F HA -0.202 4.325 4.527 -0.000 0.000 0.300 1171 F C 1.931 177.648 175.800 -0.139 0.000 1.089 1171 F CA 1.667 59.476 58.000 -0.319 0.000 1.282 1171 F CB -0.428 38.255 39.000 -0.529 0.000 1.010 1171 F HN -0.245 nan 8.300 nan 0.000 0.485 1172 K N 0.503 120.854 120.400 -0.081 0.000 2.002 1172 K HA -0.241 4.079 4.320 -0.000 0.000 0.209 1172 K C 2.227 178.731 176.600 -0.159 0.000 1.048 1172 K CA 1.669 57.881 56.287 -0.124 0.000 0.930 1172 K CB -0.543 31.946 32.500 -0.019 0.000 0.714 1172 K HN 0.280 nan 8.250 nan 0.000 0.438 1173 K N 1.444 121.788 120.400 -0.093 0.000 2.113 1173 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 1173 K C 1.918 178.457 176.600 -0.101 0.000 1.047 1173 K CA 1.623 57.867 56.287 -0.072 0.000 0.928 1173 K CB 0.069 32.551 32.500 -0.029 0.000 0.716 1173 K HN 0.204 nan 8.250 nan 0.000 0.446 1174 Q N -0.315 119.397 119.800 -0.146 0.000 2.269 1174 Q HA 0.043 4.383 4.340 -0.000 0.000 0.201 1174 Q C -0.109 175.755 176.000 -0.226 0.000 0.946 1174 Q CA 0.524 56.237 55.803 -0.151 0.000 0.877 1174 Q CB 0.381 29.053 28.738 -0.110 0.000 0.963 1174 Q HN 0.277 nan 8.270 nan 0.000 0.472 1175 N N 0.748 119.225 118.700 -0.371 0.000 2.746 1175 N HA 0.166 4.906 4.740 -0.000 0.000 0.250 1175 N C -2.430 172.925 175.510 -0.259 0.000 1.146 1175 N CA -1.015 51.817 53.050 -0.363 0.000 0.828 1175 N CB 1.631 39.734 38.487 -0.639 0.000 1.158 1175 N HN -0.021 nan 8.380 nan 0.000 0.519 1176 P HA -0.021 nan 4.420 nan 0.000 0.223 1176 P C 0.350 177.605 177.300 -0.076 0.000 1.151 1176 P CA 1.039 64.079 63.100 -0.100 0.000 0.787 1176 P CB 0.439 32.096 31.700 -0.073 0.000 0.788 1177 D N -1.246 119.109 120.400 -0.074 0.000 2.349 1177 D HA 0.125 4.765 4.640 -0.000 0.000 0.214 1177 D C 0.641 176.923 176.300 -0.029 0.000 1.063 1177 D CA 0.155 54.127 54.000 -0.047 0.000 0.847 1177 D CB 0.372 41.150 40.800 -0.038 0.000 0.933 1177 D HN 0.245 nan 8.370 nan 0.000 0.513 1178 I N 1.938 122.485 120.570 -0.037 0.000 2.342 1178 I HA 0.065 4.235 4.170 -0.000 0.000 0.291 1178 I C 0.279 176.424 176.117 0.045 0.000 1.010 1178 I CA -0.861 60.454 61.300 0.026 0.000 1.308 1178 I CB 1.709 39.742 38.000 0.055 0.000 1.400 1178 I HN -0.244 nan 8.210 nan 0.000 0.488 1179 V N 6.196 126.146 119.914 0.061 0.000 2.407 1179 V HA 0.566 4.686 4.120 -0.000 0.000 0.278 1179 V C -0.285 175.878 176.094 0.115 0.000 1.037 1179 V CA -0.389 61.945 62.300 0.056 0.000 0.900 1179 V CB 1.275 33.102 31.823 0.006 0.000 0.983 1179 V HN 0.497 nan 8.190 nan 0.000 0.459 1180 I N 6.166 126.813 120.570 0.128 0.000 2.406 1180 I HA 0.505 4.675 4.170 -0.000 0.000 0.290 1180 I C -1.230 175.027 176.117 0.234 0.000 0.999 1180 I CA -0.647 60.756 61.300 0.171 0.000 1.124 1180 I CB 1.931 40.018 38.000 0.145 0.000 1.289 1180 I HN 0.808 nan 8.210 nan 0.000 0.441 1181 Y N 6.242 126.620 120.300 0.131 0.000 2.406 1181 Y HA 0.410 4.960 4.550 -0.000 0.000 0.340 1181 Y C -0.862 175.200 175.900 0.270 0.000 0.975 1181 Y CA -0.890 57.298 58.100 0.147 0.000 1.056 1181 Y CB 1.729 40.236 38.460 0.079 0.000 1.210 1181 Y HN 0.541 nan 8.280 nan 0.000 0.448 1182 Q N 4.789 124.395 119.800 -0.323 0.000 2.282 1182 Q HA 0.423 4.763 4.340 -0.000 0.000 0.260 1182 Q C -2.225 173.466 176.000 -0.516 0.000 0.964 1182 Q CA -0.882 54.765 55.803 -0.260 0.000 0.880 1182 Q CB 1.538 30.239 28.738 -0.060 0.000 1.286 1182 Q HN 0.759 nan 8.270 nan 0.000 0.445 1183 Y N 5.051 125.197 120.300 -0.257 0.000 2.317 1183 Y HA 0.190 4.740 4.550 -0.000 0.000 0.329 1183 Y C -0.688 175.254 175.900 0.070 0.000 1.101 1183 Y CA -0.791 57.218 58.100 -0.152 0.000 1.228 1183 Y CB 1.037 39.424 38.460 -0.122 0.000 1.123 1183 Y HN 0.869 nan 8.280 nan 0.000 0.457 1184 M N 6.112 125.431 119.600 -0.469 0.000 3.671 1184 M HA -0.355 4.125 4.480 -0.000 0.000 0.160 1184 M C -0.412 175.924 176.300 0.061 0.000 1.471 1184 M CA 2.383 57.521 55.300 -0.271 0.000 0.982 1184 M CB -0.602 31.698 32.600 -0.500 0.000 1.317 1184 M HN 1.026 nan 8.290 nan 0.000 0.466 1185 D N -0.016 120.463 120.400 0.132 0.000 2.136 1185 D HA -0.163 4.477 4.640 -0.000 0.000 0.181 1185 D C -0.632 175.659 176.300 -0.015 0.000 1.459 1185 D CA 2.229 56.263 54.000 0.056 0.000 1.512 1185 D CB -0.515 40.331 40.800 0.077 0.000 1.370 1185 D HN 0.837 nan 8.370 nan 0.000 0.544 1186 D N 0.050 120.498 120.400 0.080 0.000 2.299 1186 D HA 0.536 5.176 4.640 -0.000 0.000 0.243 1186 D C -0.016 176.254 176.300 -0.051 0.000 0.982 1186 D CA -0.429 53.559 54.000 -0.019 0.000 0.924 1186 D CB 1.526 42.307 40.800 -0.033 0.000 1.238 1186 D HN 0.028 nan 8.370 nan 0.000 0.484 1187 L N 1.612 122.732 121.223 -0.172 0.000 2.333 1187 L HA 0.323 4.663 4.340 -0.000 0.000 0.280 1187 L C -1.130 175.603 176.870 -0.228 0.000 1.004 1187 L CA -0.792 53.989 54.840 -0.098 0.000 0.820 1187 L CB 1.055 43.070 42.059 -0.073 0.000 1.247 1187 L HN 0.284 nan 8.230 nan 0.000 0.416 1188 Y N 2.996 123.336 120.300 0.067 0.000 2.335 1188 Y HA 0.409 4.959 4.550 -0.000 0.000 0.339 1188 Y C 0.011 175.968 175.900 0.094 0.000 0.987 1188 Y CA -0.640 57.520 58.100 0.101 0.000 1.140 1188 Y CB 1.755 40.324 38.460 0.181 0.000 1.173 1188 Y HN 0.135 nan 8.280 nan 0.000 0.486 1189 V N 3.480 123.484 119.914 0.149 0.000 2.376 1189 V HA 0.690 4.810 4.120 -0.000 0.000 0.287 1189 V C 0.190 176.399 176.094 0.191 0.000 1.015 1189 V CA -0.769 61.624 62.300 0.156 0.000 0.834 1189 V CB 1.361 33.243 31.823 0.099 0.000 1.001 1189 V HN 0.921 nan 8.190 nan 0.000 0.428 1190 G N 2.911 111.802 108.800 0.152 0.000 2.452 1190 G HA2 0.770 4.730 3.960 -0.000 0.000 0.324 1190 G HA3 0.770 4.730 3.960 -0.000 0.000 0.324 1190 G C -0.489 174.460 174.900 0.081 0.000 1.214 1190 G CA -0.242 44.906 45.100 0.080 0.000 0.947 1190 G HN 0.923 nan 8.290 nan 0.000 0.478 1191 S N -0.169 115.541 115.700 0.018 0.000 2.638 1191 S HA 0.525 4.995 4.470 -0.000 0.000 0.274 1191 S C -0.769 173.799 174.600 -0.052 0.000 1.157 1191 S CA -0.805 57.419 58.200 0.041 0.000 0.826 1191 S CB 2.445 65.772 63.200 0.213 0.000 1.139 1191 S HN 0.335 nan 8.310 nan 0.000 0.474 1192 D N 0.377 120.762 120.400 -0.025 0.000 2.395 1192 D HA 0.266 4.906 4.640 -0.000 0.000 0.213 1192 D C 0.093 176.378 176.300 -0.024 0.000 1.110 1192 D CA 0.011 53.984 54.000 -0.045 0.000 0.835 1192 D CB 0.060 40.836 40.800 -0.041 0.000 0.965 1192 D HN 0.262 nan 8.370 nan 0.000 0.505 1193 L N 1.444 122.676 121.223 0.014 0.000 2.479 1193 L HA 0.013 4.353 4.340 -0.000 0.000 0.270 1193 L C 1.202 178.091 176.870 0.032 0.000 1.236 1193 L CA 0.282 55.146 54.840 0.040 0.000 0.823 1193 L CB 0.234 42.352 42.059 0.098 0.000 1.098 1193 L HN -0.138 nan 8.230 nan 0.000 0.500 1194 E N 0.669 120.890 120.200 0.035 0.000 2.373 1194 E HA -0.028 4.322 4.350 -0.000 0.000 0.267 1194 E C 1.161 177.802 176.600 0.067 0.000 1.032 1194 E CA -0.355 56.061 56.400 0.026 0.000 0.889 1194 E CB 0.931 30.642 29.700 0.018 0.000 0.984 1194 E HN 0.434 nan 8.360 nan 0.000 0.425 1195 I N 3.909 124.515 120.570 0.061 0.000 2.147 1195 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 1195 I C 1.966 178.162 176.117 0.132 0.000 1.059 1195 I CA 2.396 63.767 61.300 0.118 0.000 1.320 1195 I CB -0.742 37.308 38.000 0.084 0.000 1.021 1195 I HN 0.762 nan 8.210 nan 0.000 0.415 1196 G N -1.096 107.751 108.800 0.079 0.000 2.480 1196 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.216 1196 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.216 1196 G C 1.530 176.471 174.900 0.068 0.000 1.200 1196 G CA 0.939 46.077 45.100 0.062 0.000 0.782 1196 G HN 0.551 nan 8.290 nan 0.000 0.554 1197 Q N -0.702 119.142 119.800 0.072 0.000 2.077 1197 Q HA -0.226 4.114 4.340 -0.000 0.000 0.206 1197 Q C 2.284 178.341 176.000 0.096 0.000 0.989 1197 Q CA 1.831 57.677 55.803 0.073 0.000 0.853 1197 Q CB -0.304 28.474 28.738 0.068 0.000 0.907 1197 Q HN 0.753 nan 8.270 nan 0.000 0.418 1198 H N 0.696 119.790 119.070 0.039 0.000 2.253 1198 H HA -0.080 4.476 4.556 -0.000 0.000 0.296 1198 H C 1.977 177.335 175.328 0.050 0.000 1.074 1198 H CA 2.033 58.109 56.048 0.047 0.000 1.263 1198 H CB 0.056 29.843 29.762 0.041 0.000 1.363 1198 H HN 0.050 nan 8.280 nan 0.000 0.489 1199 R N -0.727 119.750 120.500 -0.037 0.000 2.117 1199 R HA -0.131 4.209 4.340 -0.000 0.000 0.243 1199 R C 2.298 178.549 176.300 -0.081 0.000 1.143 1199 R CA 1.923 57.969 56.100 -0.090 0.000 0.968 1199 R CB -0.425 29.890 30.300 0.025 0.000 0.863 1199 R HN 0.448 nan 8.270 nan 0.000 0.444 1200 T N 0.746 115.285 114.554 -0.024 0.000 2.777 1200 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 1200 T C 1.641 176.346 174.700 0.008 0.000 1.040 1200 T CA 1.065 63.166 62.100 0.001 0.000 1.141 1200 T CB -0.059 68.826 68.868 0.027 0.000 0.868 1200 T HN 0.037 nan 8.240 nan 0.000 0.444 1201 K N 0.823 121.228 120.400 0.009 0.000 2.147 1201 K HA 0.095 4.415 4.320 -0.000 0.000 0.205 1201 K C 2.011 178.626 176.600 0.025 0.000 1.049 1201 K CA 0.544 56.889 56.287 0.096 0.000 0.936 1201 K CB -0.554 32.029 32.500 0.139 0.000 0.722 1201 K HN 0.223 nan 8.250 nan 0.000 0.446 1202 I N 0.836 121.318 120.570 -0.146 0.000 2.202 1202 I HA -0.203 3.967 4.170 -0.000 0.000 0.242 1202 I C 2.148 178.186 176.117 -0.132 0.000 1.091 1202 I CA 1.301 62.487 61.300 -0.190 0.000 1.368 1202 I CB -1.000 36.851 38.000 -0.249 0.000 1.058 1202 I HN 0.234 nan 8.210 nan 0.000 0.410 1203 E N 1.437 121.590 120.200 -0.078 0.000 2.058 1203 E HA -0.276 4.074 4.350 -0.000 0.000 0.194 1203 E C 2.116 178.702 176.600 -0.023 0.000 0.997 1203 E CA 1.823 58.197 56.400 -0.044 0.000 0.801 1203 E CB -0.325 29.363 29.700 -0.020 0.000 0.746 1203 E HN 0.485 nan 8.360 nan 0.000 0.450 1204 E N -0.713 119.499 120.200 0.020 0.000 2.118 1204 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 1204 E C 2.071 178.715 176.600 0.073 0.000 0.992 1204 E CA 1.194 57.653 56.400 0.099 0.000 0.804 1204 E CB -0.225 29.611 29.700 0.226 0.000 0.741 1204 E HN 0.315 nan 8.360 nan 0.000 0.458 1205 L N 1.057 122.149 121.223 -0.218 0.000 2.093 1205 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 1205 L C 2.156 178.911 176.870 -0.192 0.000 1.085 1205 L CA 1.587 56.096 54.840 -0.552 0.000 0.755 1205 L CB -0.228 41.240 42.059 -0.985 0.000 0.904 1205 L HN -0.037 nan 8.230 nan 0.000 0.435 1206 R N -0.995 119.432 120.500 -0.123 0.000 2.096 1206 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 1206 R C 2.248 178.548 176.300 -0.001 0.000 1.127 1206 R CA 1.262 57.327 56.100 -0.059 0.000 0.968 1206 R CB -0.290 29.977 30.300 -0.056 0.000 0.861 1206 R HN 0.440 nan 8.270 nan 0.000 0.440 1207 Q N -0.302 119.503 119.800 0.008 0.000 2.124 1207 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 1207 Q C 1.854 177.859 176.000 0.009 0.000 0.977 1207 Q CA 1.688 57.488 55.803 -0.004 0.000 0.850 1207 Q CB -0.284 28.433 28.738 -0.036 0.000 0.901 1207 Q HN 0.558 nan 8.270 nan 0.000 0.429 1208 H N 0.208 119.295 119.070 0.028 0.000 2.326 1208 H HA -0.015 4.541 4.556 -0.000 0.000 0.301 1208 H C 2.151 177.595 175.328 0.194 0.000 1.081 1208 H CA 1.230 57.348 56.048 0.117 0.000 1.334 1208 H CB -0.176 29.634 29.762 0.080 0.000 1.385 1208 H HN 0.083 nan 8.280 nan 0.000 0.504 1209 L N -0.336 121.016 121.223 0.215 0.000 2.079 1209 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 1209 L C 2.260 179.246 176.870 0.193 0.000 1.081 1209 L CA 0.565 55.507 54.840 0.171 0.000 0.752 1209 L CB -0.369 41.716 42.059 0.043 0.000 0.896 1209 L HN 0.255 nan 8.230 nan 0.000 0.433 1210 L N 0.046 121.340 121.223 0.118 0.000 2.043 1210 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 1210 L C 1.476 178.403 176.870 0.095 0.000 1.075 1210 L CA 1.485 56.372 54.840 0.078 0.000 0.752 1210 L CB -0.413 41.664 42.059 0.030 0.000 0.891 1210 L HN 0.081 nan 8.230 nan 0.000 0.432 1211 R N -2.033 118.532 120.500 0.107 0.000 2.679 1211 R HA 0.117 4.457 4.340 -0.000 0.000 0.269 1211 R C -0.034 176.361 176.300 0.158 0.000 1.076 1211 R CA 0.892 56.981 56.100 -0.018 0.000 1.160 1211 R CB -0.367 29.838 30.300 -0.158 0.000 1.054 1211 R HN 0.378 nan 8.270 nan 0.000 0.507 1212 W N -0.867 120.458 121.300 0.041 0.000 1.283 1212 W HA -0.306 4.354 4.660 -0.000 0.000 0.230 1212 W C 1.436 177.993 176.519 0.063 0.000 0.951 1212 W CA 1.319 58.701 57.345 0.062 0.000 0.385 1212 W CB -1.905 27.603 29.460 0.080 0.000 1.950 1212 W HN 0.914 nan 8.180 nan 0.000 1.334 1213 G N -0.139 108.803 108.800 0.236 0.000 3.639 1213 G HA2 -0.454 3.506 3.960 -0.000 0.000 0.224 1213 G HA3 -0.454 3.506 3.960 -0.000 0.000 0.224 1213 G C 0.656 175.636 174.900 0.134 0.000 1.339 1213 G CA 1.139 46.327 45.100 0.146 0.000 0.933 1213 G HN 0.674 nan 8.290 nan 0.000 0.568 1231 G N 0.348 109.180 108.800 0.054 0.000 2.205 1231 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.180 1231 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.180 1231 G C -0.223 174.770 174.900 0.154 0.000 1.004 1231 G CA -0.117 45.017 45.100 0.057 0.000 0.670 1231 G HN 1.561 nan 8.290 nan 0.000 0.496 1232 Y N 0.332 120.623 120.300 -0.016 0.000 2.795 1232 Y HA -0.069 4.481 4.550 -0.000 0.000 0.031 1232 Y C -0.651 175.245 175.900 -0.006 0.000 2.076 1232 Y CA 0.071 58.164 58.100 -0.011 0.000 1.211 1232 Y CB -1.316 37.127 38.460 -0.027 0.000 1.890 1232 Y HN 0.568 nan 8.280 nan 0.000 0.286 1233 E N 6.475 126.579 120.200 -0.160 0.000 2.183 1233 E HA 0.787 5.137 4.350 -0.000 0.000 0.271 1233 E C -0.656 175.659 176.600 -0.475 0.000 0.919 1233 E CA -1.112 55.112 56.400 -0.294 0.000 0.781 1233 E CB 2.244 31.854 29.700 -0.150 0.000 1.140 1233 E HN 0.448 nan 8.360 nan 0.000 0.402 1234 L N 2.119 123.015 121.223 -0.546 0.000 2.333 1234 L HA 0.440 4.780 4.340 -0.000 0.000 0.269 1234 L C -0.229 176.175 176.870 -0.776 0.000 1.010 1234 L CA -1.008 53.548 54.840 -0.473 0.000 0.818 1234 L CB 1.441 43.373 42.059 -0.211 0.000 1.306 1234 L HN 0.535 nan 8.230 nan 0.000 0.430 1235 H N 1.067 119.945 119.070 -0.321 0.000 2.348 1235 H HA 0.203 4.759 4.556 0.000 0.000 0.232 1235 H C -2.126 172.623 175.328 -0.964 0.000 1.419 1235 H CA -1.753 54.020 56.048 -0.458 0.000 1.416 1235 H CB 1.047 30.667 29.762 -0.237 0.000 1.510 1235 H HN 0.300 nan 8.280 nan 0.000 0.507 1236 P HA -0.218 nan 4.420 nan 0.000 0.215 1236 P C 1.704 178.541 177.300 -0.772 0.000 1.163 1236 P CA 1.656 63.790 63.100 -1.609 0.000 0.894 1236 P CB 0.314 31.463 31.700 -0.918 0.000 0.791 1237 D N 0.219 120.367 120.400 -0.420 0.000 2.280 1237 D HA -0.218 4.422 4.640 -0.000 0.000 0.206 1237 D C 0.693 176.916 176.300 -0.128 0.000 0.988 1237 D CA 1.261 55.138 54.000 -0.205 0.000 0.886 1237 D CB -0.551 40.157 40.800 -0.153 0.000 0.914 1237 D HN 0.258 nan 8.370 nan 0.000 0.473 1238 K N -0.273 120.027 120.400 -0.168 0.000 2.675 1238 K HA 0.101 4.421 4.320 -0.000 0.000 0.213 1238 K C -0.654 176.074 176.600 0.214 0.000 1.074 1238 K CA -0.496 55.791 56.287 0.001 0.000 1.172 1238 K CB 0.267 32.773 32.500 0.009 0.000 0.927 1238 K HN 0.093 nan 8.250 nan 0.000 0.471 1239 W N 1.923 123.236 121.300 0.023 0.000 2.411 1239 W HA 0.218 4.878 4.660 -0.000 0.000 0.317 1239 W C 0.160 176.691 176.519 0.020 0.000 1.030 1239 W CA -1.009 56.353 57.345 0.028 0.000 1.239 1239 W CB 1.014 30.480 29.460 0.010 0.000 1.304 1239 W HN -0.024 nan 8.180 nan 0.000 0.437 1240 T N -0.978 113.718 114.554 0.237 0.000 2.907 1240 T HA 0.664 5.014 4.350 -0.000 0.000 0.292 1240 T C -0.164 174.595 174.700 0.099 0.000 1.043 1240 T CA -0.827 61.357 62.100 0.140 0.000 1.003 1240 T CB 1.576 70.509 68.868 0.108 0.000 1.084 1240 T HN 0.012 nan 8.240 nan 0.000 0.483 1241 V N 1.484 121.444 119.914 0.076 0.000 3.332 1241 V HA 0.224 4.344 4.120 -0.000 0.000 0.305 1241 V C 0.539 176.661 176.094 0.046 0.000 1.114 1241 V CA -0.280 62.050 62.300 0.050 0.000 1.194 1241 V CB 0.452 32.310 31.823 0.058 0.000 1.027 1241 V HN 0.988 nan 8.190 nan 0.000 0.492 1242 Q N 3.930 123.744 119.800 0.023 0.000 2.400 1242 Q HA 0.426 4.766 4.340 -0.000 0.000 0.255 1242 Q C -2.664 173.386 176.000 0.082 0.000 1.008 1242 Q CA -1.817 54.016 55.803 0.049 0.000 0.841 1242 Q CB 1.370 30.111 28.738 0.004 0.000 1.220 1242 Q HN 0.508 nan 8.270 nan 0.000 0.474 1243 P HA 0.116 nan 4.420 nan 0.000 0.272 1243 P C -0.772 176.578 177.300 0.084 0.000 1.230 1243 P CA -0.392 62.746 63.100 0.064 0.000 0.788 1243 P CB 0.579 32.301 31.700 0.036 0.000 0.949 1244 I N 1.340 121.926 120.570 0.027 0.000 2.496 1244 I HA 0.094 4.264 4.170 -0.000 0.000 0.285 1244 I C 0.308 176.392 176.117 -0.055 0.000 1.080 1244 I CA -0.074 61.255 61.300 0.049 0.000 1.404 1244 I CB 0.376 38.397 38.000 0.035 0.000 1.403 1244 I HN 0.086 nan 8.210 nan 0.000 0.539 1245 V N 5.778 125.598 119.914 -0.157 0.000 2.612 1245 V HA 0.678 4.798 4.120 -0.000 0.000 0.301 1245 V C -0.427 175.535 176.094 -0.220 0.000 1.046 1245 V CA -0.813 61.356 62.300 -0.218 0.000 0.946 1245 V CB 1.498 33.114 31.823 -0.345 0.000 1.003 1245 V HN 0.478 nan 8.190 nan 0.000 0.459 1246 L N 3.878 125.029 121.223 -0.120 0.000 2.341 1246 L HA 0.616 4.956 4.340 -0.000 0.000 0.278 1246 L C -2.267 174.596 176.870 -0.012 0.000 1.005 1246 L CA -1.776 53.040 54.840 -0.040 0.000 0.818 1246 L CB 1.778 43.847 42.059 0.017 0.000 1.259 1246 L HN 0.475 nan 8.230 nan 0.000 0.418 1247 P HA 0.043 nan 4.420 nan 0.000 0.269 1247 P C -0.014 177.292 177.300 0.010 0.000 1.211 1247 P CA -0.090 62.981 63.100 -0.048 0.000 0.781 1247 P CB 0.725 32.353 31.700 -0.120 0.000 0.877 1248 E N 0.347 120.489 120.200 -0.097 0.000 2.307 1248 E HA -0.009 4.341 4.350 -0.000 0.000 0.195 1248 E C 0.566 177.045 176.600 -0.202 0.000 0.975 1248 E CA -0.185 56.188 56.400 -0.044 0.000 0.878 1248 E CB 0.016 29.686 29.700 -0.052 0.000 0.845 1248 E HN 0.275 nan 8.360 nan 0.000 0.488 1249 K N 0.787 120.917 120.400 -0.449 0.000 2.326 1249 K HA -0.271 4.049 4.320 -0.000 0.000 0.145 1249 K C 0.148 176.454 176.600 -0.489 0.000 1.453 1249 K CA 2.303 58.151 56.287 -0.733 0.000 0.694 1249 K CB -0.407 30.990 32.500 -1.838 0.000 0.547 1249 K HN 0.433 nan 8.250 nan 0.000 0.982 1250 D N -5.443 114.606 120.400 -0.585 0.000 4.383 1250 D HA -0.008 4.632 4.640 -0.000 0.000 0.154 1250 D C 0.232 176.411 176.300 -0.203 0.000 0.416 1250 D CA 0.667 54.516 54.000 -0.252 0.000 0.604 1250 D CB -1.043 39.666 40.800 -0.151 0.000 1.641 1250 D HN 0.205 nan 8.370 nan 0.000 0.062 1251 S N -0.793 114.698 115.700 -0.349 0.000 3.334 1251 S HA 0.299 4.769 4.470 -0.000 0.000 0.224 1251 S C -0.399 174.217 174.600 0.027 0.000 0.959 1251 S CA 0.340 58.456 58.200 -0.141 0.000 0.815 1251 S CB 0.211 63.324 63.200 -0.145 0.000 0.861 1251 S HN 0.370 nan 8.310 nan 0.000 0.596 1252 W N 2.977 124.269 121.300 -0.013 0.000 4.116 1252 W HA -0.199 4.461 4.660 -0.000 0.000 0.438 1252 W C 0.429 176.942 176.519 -0.011 0.000 1.762 1252 W CA -0.141 57.196 57.345 -0.013 0.000 0.690 1252 W CB -2.024 27.428 29.460 -0.013 0.000 2.907 1252 W HN 0.448 nan 8.180 nan 0.000 0.846 1253 T N -2.617 112.067 114.554 0.215 0.000 2.732 1253 T HA 0.374 4.724 4.350 -0.000 0.000 0.287 1253 T C 0.920 175.698 174.700 0.130 0.000 0.993 1253 T CA -0.105 62.072 62.100 0.129 0.000 0.966 1253 T CB 1.358 70.271 68.868 0.074 0.000 1.047 1253 T HN 0.109 nan 8.240 nan 0.000 0.527 1254 V N 1.261 121.221 119.914 0.078 0.000 2.427 1254 V HA -0.125 3.995 4.120 -0.000 0.000 0.248 1254 V C 2.792 178.920 176.094 0.058 0.000 1.051 1254 V CA 2.063 64.395 62.300 0.055 0.000 1.048 1254 V CB -1.305 30.538 31.823 0.033 0.000 0.666 1254 V HN 0.953 nan 8.190 nan 0.000 0.456 1255 N N 0.103 118.840 118.700 0.062 0.000 2.080 1255 N HA -0.196 4.544 4.740 -0.000 0.000 0.189 1255 N C 1.524 177.087 175.510 0.089 0.000 1.036 1255 N CA 1.457 54.542 53.050 0.059 0.000 0.846 1255 N CB -0.024 38.492 38.487 0.047 0.000 1.015 1255 N HN 0.439 nan 8.380 nan 0.000 0.423 1256 D N 0.982 121.460 120.400 0.130 0.000 2.182 1256 D HA -0.165 4.475 4.640 -0.000 0.000 0.201 1256 D C 1.743 178.209 176.300 0.276 0.000 0.986 1256 D CA 0.703 54.829 54.000 0.210 0.000 0.847 1256 D CB -0.062 40.892 40.800 0.256 0.000 0.942 1256 D HN 0.481 nan 8.370 nan 0.000 0.467 1257 I N 0.019 120.700 120.570 0.185 0.000 3.603 1257 I HA -0.107 4.063 4.170 -0.000 0.000 0.297 1257 I C 1.840 177.961 176.117 0.007 0.000 1.269 1257 I CA 0.305 61.628 61.300 0.037 0.000 1.361 1257 I CB 0.165 38.125 38.000 -0.067 0.000 1.063 1257 I HN -0.148 nan 8.210 nan 0.000 0.448 1258 Q N 0.654 120.476 119.800 0.036 0.000 2.123 1258 Q HA -0.123 4.217 4.340 -0.000 0.000 0.196 1258 Q C 1.942 177.961 176.000 0.032 0.000 0.958 1258 Q CA 1.128 56.941 55.803 0.018 0.000 0.841 1258 Q CB 0.079 28.829 28.738 0.019 0.000 0.915 1258 Q HN 0.467 nan 8.270 nan 0.000 0.455 1259 K N 0.835 121.272 120.400 0.060 0.000 2.057 1259 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 1259 K C 2.127 178.777 176.600 0.082 0.000 1.049 1259 K CA 0.858 57.191 56.287 0.077 0.000 0.931 1259 K CB -0.158 32.394 32.500 0.086 0.000 0.714 1259 K HN 0.164 nan 8.250 nan 0.000 0.440 1260 L N 1.023 122.293 121.223 0.078 0.000 1.994 1260 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 1260 L C 2.239 179.121 176.870 0.021 0.000 1.071 1260 L CA 1.174 56.045 54.840 0.051 0.000 0.745 1260 L CB -0.182 41.875 42.059 -0.004 0.000 0.892 1260 L HN -0.016 nan 8.230 nan 0.000 0.431 1261 V N -0.084 119.826 119.914 -0.007 0.000 2.490 1261 V HA -0.225 3.895 4.120 -0.000 0.000 0.250 1261 V C 2.533 178.632 176.094 0.009 0.000 1.061 1261 V CA 1.762 64.053 62.300 -0.015 0.000 1.064 1261 V CB -1.177 30.625 31.823 -0.034 0.000 0.670 1261 V HN 0.659 nan 8.190 nan 0.000 0.461 1262 G N -0.359 108.455 108.800 0.024 0.000 2.414 1262 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.215 1262 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.215 1262 G C 1.615 176.595 174.900 0.133 0.000 1.188 1262 G CA 0.981 46.090 45.100 0.015 0.000 0.783 1262 G HN 0.488 nan 8.290 nan 0.000 0.537 1263 K N 0.029 120.567 120.400 0.230 0.000 2.103 1263 K HA 0.035 4.355 4.320 -0.000 0.000 0.207 1263 K C 2.494 179.272 176.600 0.297 0.000 1.048 1263 K CA 0.884 57.385 56.287 0.355 0.000 0.930 1263 K CB -0.265 32.348 32.500 0.188 0.000 0.716 1263 K HN 0.337 nan 8.250 nan 0.000 0.444 1264 L N 0.810 122.128 121.223 0.159 0.000 2.093 1264 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 1264 L C 2.310 179.263 176.870 0.138 0.000 1.085 1264 L CA 1.246 56.156 54.840 0.117 0.000 0.755 1264 L CB -0.595 41.489 42.059 0.041 0.000 0.904 1264 L HN 0.358 nan 8.230 nan 0.000 0.435 1265 N N -0.391 118.372 118.700 0.106 0.000 2.104 1265 N HA -0.254 4.486 4.740 -0.000 0.000 0.190 1265 N C 1.798 177.387 175.510 0.131 0.000 1.024 1265 N CA 1.387 54.468 53.050 0.052 0.000 0.853 1265 N CB -0.099 38.356 38.487 -0.052 0.000 1.008 1265 N HN 0.254 nan 8.380 nan 0.000 0.424 1266 W N 1.140 122.495 121.300 0.091 0.000 2.352 1266 W HA 0.060 4.720 4.660 -0.000 0.000 0.322 1266 W C 1.967 178.640 176.519 0.256 0.000 1.208 1266 W CA 1.630 59.080 57.345 0.175 0.000 1.286 1266 W CB -1.295 28.304 29.460 0.231 0.000 1.167 1266 W HN 0.183 nan 8.180 nan 0.000 0.469 1267 A N 0.033 123.186 122.820 0.555 0.000 2.265 1267 A HA -0.035 4.285 4.320 -0.000 0.000 0.203 1267 A C 1.783 179.520 177.584 0.256 0.000 1.285 1267 A CA 1.636 53.886 52.037 0.356 0.000 0.839 1267 A CB -0.550 18.540 19.000 0.150 0.000 0.758 1267 A HN 0.200 nan 8.150 nan 0.000 0.502 1268 S N -1.216 114.619 115.700 0.225 0.000 2.506 1268 S HA 0.010 4.480 4.470 -0.000 0.000 0.219 1268 S C 1.646 176.317 174.600 0.118 0.000 1.031 1268 S CA 0.145 58.429 58.200 0.140 0.000 0.911 1268 S CB 0.106 63.359 63.200 0.088 0.000 0.812 1268 S HN 0.768 nan 8.310 nan 0.000 0.497 1269 Q N 0.354 120.235 119.800 0.135 0.000 2.425 1269 Q HA 0.334 4.674 4.340 -0.000 0.000 0.204 1269 Q C 0.253 176.306 176.000 0.088 0.000 0.933 1269 Q CA 0.434 56.281 55.803 0.073 0.000 0.939 1269 Q CB 0.596 29.347 28.738 0.022 0.000 1.044 1269 Q HN 0.485 nan 8.270 nan 0.000 0.513 1270 I N -1.920 118.746 120.570 0.159 0.000 2.969 1270 I HA 0.165 4.335 4.170 -0.000 0.000 0.307 1270 I C -1.266 174.980 176.117 0.215 0.000 1.149 1270 I CA -1.213 60.151 61.300 0.106 0.000 1.008 1270 I CB 1.534 39.605 38.000 0.119 0.000 1.232 1270 I HN 0.165 nan 8.210 nan 0.000 0.435 1271 Y N 2.921 123.212 120.300 -0.016 0.000 2.973 1271 Y HA -0.124 4.426 4.550 -0.000 0.000 0.153 1271 Y C -2.199 173.715 175.900 0.022 0.000 1.748 1271 Y CA -0.229 57.869 58.100 -0.003 0.000 0.920 1271 Y CB -1.885 36.564 38.460 -0.018 0.000 1.478 1271 Y HN 0.348 nan 8.280 nan 0.000 0.366 1272 P HA 0.214 nan 4.420 nan 0.000 0.265 1272 P C 1.152 178.514 177.300 0.103 0.000 1.193 1272 P CA 1.666 64.826 63.100 0.100 0.000 0.765 1272 P CB 1.477 33.225 31.700 0.080 0.000 0.823 1273 G N 2.887 111.734 108.800 0.079 0.000 2.307 1273 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.210 1273 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.210 1273 G C 0.201 175.131 174.900 0.051 0.000 1.005 1273 G CA -0.441 44.695 45.100 0.060 0.000 0.634 1273 G HN 0.488 nan 8.290 nan 0.000 0.496 1274 I N 2.102 122.712 120.570 0.067 0.000 2.907 1274 I HA 0.196 4.366 4.170 -0.000 0.000 0.285 1274 I C 0.698 176.833 176.117 0.030 0.000 1.189 1274 I CA 0.447 61.775 61.300 0.046 0.000 1.376 1274 I CB 0.360 38.396 38.000 0.061 0.000 1.420 1274 I HN 0.218 nan 8.210 nan 0.000 0.544 1275 K N 6.399 126.807 120.400 0.012 0.000 2.185 1275 K HA 0.406 4.726 4.320 -0.000 0.000 0.269 1275 K C 0.488 177.081 176.600 -0.012 0.000 0.987 1275 K CA -0.523 55.765 56.287 0.001 0.000 0.865 1275 K CB 1.502 34.000 32.500 -0.004 0.000 1.090 1275 K HN 0.383 nan 8.250 nan 0.000 0.450 1276 V N 1.409 121.314 119.914 -0.015 0.000 3.480 1276 V HA 0.280 4.400 4.120 -0.000 0.000 0.263 1276 V C 1.841 177.913 176.094 -0.038 0.000 1.442 1276 V CA 0.205 62.487 62.300 -0.030 0.000 1.053 1276 V CB -0.147 31.663 31.823 -0.022 0.000 0.846 1276 V HN 0.774 nan 8.190 nan 0.000 0.440 1277 R N 1.993 122.476 120.500 -0.029 0.000 2.162 1277 R HA -0.268 4.072 4.340 -0.000 0.000 0.245 1277 R C 2.253 178.530 176.300 -0.038 0.000 1.129 1277 R CA 2.935 59.017 56.100 -0.030 0.000 0.940 1277 R CB -0.474 29.813 30.300 -0.022 0.000 0.875 1277 R HN 0.893 nan 8.270 nan 0.000 0.437 1278 Q N 0.077 119.853 119.800 -0.040 0.000 2.408 1278 Q HA -0.067 4.273 4.340 -0.000 0.000 0.214 1278 Q C 0.919 176.880 176.000 -0.065 0.000 0.957 1278 Q CA 0.570 56.346 55.803 -0.046 0.000 0.965 1278 Q CB 0.409 29.122 28.738 -0.040 0.000 0.991 1278 Q HN 0.340 nan 8.270 nan 0.000 0.505 1279 L N -1.618 119.561 121.223 -0.073 0.000 2.718 1279 L HA 0.172 4.512 4.340 -0.000 0.000 0.247 1279 L C 1.708 178.523 176.870 -0.090 0.000 1.028 1279 L CA 0.486 55.264 54.840 -0.103 0.000 1.031 1279 L CB -0.448 41.534 42.059 -0.128 0.000 1.910 1279 L HN 0.315 nan 8.230 nan 0.000 0.526 1280 C N 1.310 120.569 119.300 -0.069 0.000 2.401 1280 C HA -0.119 4.341 4.460 -0.000 0.000 0.286 1280 C C 1.627 176.587 174.990 -0.050 0.000 1.332 1280 C CA 0.898 59.883 59.018 -0.056 0.000 1.795 1280 C CB -1.141 26.573 27.740 -0.044 0.000 1.922 1280 C HN 0.367 nan 8.230 nan 0.000 0.520 1281 K N 0.260 120.630 120.400 -0.050 0.000 3.101 1281 K HA 0.356 4.676 4.320 -0.000 0.000 0.229 1281 K C -0.671 175.902 176.600 -0.045 0.000 1.232 1281 K CA -0.214 56.048 56.287 -0.042 0.000 1.210 1281 K CB 0.249 32.728 32.500 -0.035 0.000 1.284 1281 K HN 0.310 nan 8.250 nan 0.000 0.448 1287 K N 1.103 121.504 120.400 0.001 0.000 2.179 1287 K HA 0.855 5.175 4.320 -0.000 0.000 0.238 1287 K C 0.574 177.177 176.600 0.006 0.000 1.033 1287 K CA -0.884 55.406 56.287 0.004 0.000 0.926 1287 K CB 0.771 33.275 32.500 0.006 0.000 1.151 1287 K HN 0.363 nan 8.250 nan 0.000 0.492 1288 A N 0.844 123.669 122.820 0.008 0.000 2.322 1288 A HA 0.212 4.532 4.320 -0.000 0.000 0.269 1288 A C 1.091 178.683 177.584 0.014 0.000 1.094 1288 A CA -0.424 51.619 52.037 0.010 0.000 0.807 1288 A CB -0.012 18.994 19.000 0.009 0.000 1.047 1288 A HN 0.750 nan 8.150 nan 0.000 0.487 1289 L N 0.944 122.175 121.223 0.015 0.000 2.131 1289 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 1289 L C 2.505 179.389 176.870 0.024 0.000 1.092 1289 L CA 1.717 56.569 54.840 0.020 0.000 0.759 1289 L CB -0.616 41.455 42.059 0.019 0.000 0.903 1289 L HN 0.870 nan 8.230 nan 0.000 0.435 1290 T N -1.223 113.342 114.554 0.019 0.000 2.833 1290 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 1290 T C 0.844 175.557 174.700 0.023 0.000 1.054 1290 T CA 0.430 62.542 62.100 0.019 0.000 1.135 1290 T CB -0.260 68.615 68.868 0.013 0.000 0.869 1290 T HN 0.317 nan 8.240 nan 0.000 0.466 1291 E N 2.092 122.305 120.200 0.022 0.000 2.694 1291 E HA 0.070 4.420 4.350 -0.000 0.000 0.250 1291 E C -0.211 176.411 176.600 0.036 0.000 0.963 1291 E CA -0.317 56.098 56.400 0.024 0.000 0.949 1291 E CB 0.410 30.122 29.700 0.020 0.000 0.911 1291 E HN 0.134 nan 8.360 nan 0.000 0.500 1292 V N 6.254 126.191 119.914 0.038 0.000 2.785 1292 V HA 0.509 4.629 4.120 -0.000 0.000 0.300 1292 V C -0.091 176.038 176.094 0.057 0.000 1.062 1292 V CA -0.208 62.126 62.300 0.057 0.000 1.029 1292 V CB 0.992 32.844 31.823 0.049 0.000 1.024 1292 V HN 0.626 nan 8.190 nan 0.000 0.477 1293 I N 3.376 123.994 120.570 0.079 0.000 2.769 1293 I HA 0.745 4.915 4.170 -0.000 0.000 0.298 1293 I C -2.747 173.410 176.117 0.065 0.000 1.128 1293 I CA -2.455 58.878 61.300 0.056 0.000 1.031 1293 I CB 2.136 40.156 38.000 0.033 0.000 1.235 1293 I HN 0.469 nan 8.210 nan 0.000 0.423 1294 P HA 0.132 nan 4.420 nan 0.000 0.267 1294 P C -1.060 176.256 177.300 0.027 0.000 1.195 1294 P CA 0.063 63.185 63.100 0.037 0.000 0.773 1294 P CB 0.335 32.045 31.700 0.017 0.000 0.837 1295 L N 1.950 123.196 121.223 0.038 0.000 2.260 1295 L HA 0.243 4.583 4.340 -0.000 0.000 0.289 1295 L C 0.720 177.580 176.870 -0.018 0.000 1.057 1295 L CA -0.489 54.358 54.840 0.013 0.000 0.811 1295 L CB 0.404 42.511 42.059 0.079 0.000 1.184 1295 L HN 0.321 nan 8.230 nan 0.000 0.429 1296 T N 1.865 116.385 114.554 -0.057 0.000 2.898 1296 T HA 0.039 4.389 4.350 -0.000 0.000 0.301 1296 T C 1.224 175.900 174.700 -0.041 0.000 1.049 1296 T CA -0.408 61.661 62.100 -0.051 0.000 1.095 1296 T CB 1.198 70.024 68.868 -0.071 0.000 0.976 1296 T HN 0.750 nan 8.240 nan 0.000 0.539 1297 E N 3.043 123.226 120.200 -0.029 0.000 1.983 1297 E HA -0.288 4.062 4.350 -0.000 0.000 0.208 1297 E C 1.845 178.429 176.600 -0.026 0.000 1.006 1297 E CA 1.679 58.066 56.400 -0.021 0.000 0.872 1297 E CB -0.415 29.275 29.700 -0.017 0.000 0.806 1297 E HN 0.876 nan 8.360 nan 0.000 0.510 1298 E N 1.455 121.638 120.200 -0.029 0.000 2.265 1298 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 1298 E C 2.121 178.696 176.600 -0.043 0.000 0.996 1298 E CA 0.953 57.335 56.400 -0.030 0.000 0.832 1298 E CB -0.215 29.468 29.700 -0.027 0.000 0.756 1298 E HN 0.384 nan 8.360 nan 0.000 0.491 1299 A N 2.153 124.937 122.820 -0.060 0.000 1.873 1299 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 1299 A C 2.155 179.686 177.584 -0.087 0.000 1.193 1299 A CA 1.762 53.744 52.037 -0.091 0.000 0.629 1299 A CB -0.504 18.420 19.000 -0.127 0.000 0.826 1299 A HN 0.250 nan 8.150 nan 0.000 0.447 1300 E N -0.577 119.584 120.200 -0.065 0.000 2.097 1300 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 1300 E C 1.989 178.574 176.600 -0.024 0.000 1.000 1300 E CA 1.477 57.856 56.400 -0.035 0.000 0.804 1300 E CB -0.583 29.112 29.700 -0.007 0.000 0.740 1300 E HN 0.531 nan 8.360 nan 0.000 0.454 1301 L N 1.594 122.802 121.223 -0.024 0.000 2.017 1301 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 1301 L C 2.354 179.211 176.870 -0.022 0.000 1.073 1301 L CA 2.045 56.874 54.840 -0.017 0.000 0.745 1301 L CB -0.574 41.475 42.059 -0.016 0.000 0.894 1301 L HN 0.106 nan 8.230 nan 0.000 0.432 1302 E N -0.718 119.462 120.200 -0.034 0.000 2.031 1302 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 1302 E C 2.256 178.833 176.600 -0.039 0.000 0.994 1302 E CA 1.648 58.026 56.400 -0.036 0.000 0.800 1302 E CB -0.332 29.339 29.700 -0.048 0.000 0.752 1302 E HN 0.403 nan 8.360 nan 0.000 0.447 1303 L N 1.217 122.405 121.223 -0.057 0.000 1.997 1303 L HA -0.245 4.095 4.340 -0.000 0.000 0.216 1303 L C 2.391 179.248 176.870 -0.021 0.000 1.074 1303 L CA 2.579 57.386 54.840 -0.055 0.000 0.763 1303 L CB -0.933 41.079 42.059 -0.078 0.000 0.890 1303 L HN 0.252 nan 8.230 nan 0.000 0.434 1304 A N -1.175 121.639 122.820 -0.010 0.000 1.908 1304 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 1304 A C 2.171 179.752 177.584 -0.005 0.000 1.181 1304 A CA 1.932 53.970 52.037 0.001 0.000 0.627 1304 A CB -0.682 18.321 19.000 0.005 0.000 0.818 1304 A HN 0.643 nan 8.150 nan 0.000 0.445 1305 E N -0.242 119.952 120.200 -0.009 0.000 2.150 1305 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 1305 E C 1.722 178.317 176.600 -0.008 0.000 0.985 1305 E CA 0.815 57.211 56.400 -0.006 0.000 0.814 1305 E CB -0.172 29.524 29.700 -0.006 0.000 0.752 1305 E HN 0.569 nan 8.360 nan 0.000 0.466 1306 N N 1.350 120.040 118.700 -0.016 0.000 2.039 1306 N HA -0.165 4.575 4.740 -0.000 0.000 0.193 1306 N C 1.871 177.358 175.510 -0.038 0.000 1.044 1306 N CA 1.360 54.395 53.050 -0.024 0.000 0.847 1306 N CB -0.260 38.210 38.487 -0.029 0.000 1.030 1306 N HN 0.266 nan 8.380 nan 0.000 0.422 1307 R N 1.338 121.819 120.500 -0.033 0.000 2.237 1307 R HA 0.017 4.357 4.340 -0.000 0.000 0.219 1307 R C 1.737 178.022 176.300 -0.025 0.000 1.080 1307 R CA 1.021 57.098 56.100 -0.038 0.000 0.995 1307 R CB -0.323 29.964 30.300 -0.021 0.000 0.875 1307 R HN 0.352 nan 8.270 nan 0.000 0.462 1308 E N 1.274 121.466 120.200 -0.012 0.000 2.110 1308 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 1308 E C 0.567 177.171 176.600 0.005 0.000 0.988 1308 E CA 0.786 57.186 56.400 -0.001 0.000 0.804 1308 E CB 0.097 29.799 29.700 0.003 0.000 0.745 1308 E HN 0.416 nan 8.360 nan 0.000 0.458 1309 I N -0.538 120.032 120.570 0.001 0.000 3.783 1309 I HA -0.005 4.165 4.170 -0.000 0.000 0.272 1309 I C 1.410 177.503 176.117 -0.040 0.000 1.329 1309 I CA -0.406 60.910 61.300 0.027 0.000 0.887 1309 I CB 0.371 38.404 38.000 0.054 0.000 1.596 1309 I HN 0.129 nan 8.210 nan 0.000 0.712 1310 L N -0.917 120.247 121.223 -0.098 0.000 5.272 1310 L HA -0.340 4.000 4.340 -0.000 0.000 0.439 1310 L C 1.722 178.540 176.870 -0.088 0.000 1.014 1310 L CA 1.508 56.099 54.840 -0.416 0.000 1.156 1310 L CB -1.258 40.526 42.059 -0.459 0.000 1.767 1310 L HN 0.746 nan 8.230 nan 0.000 0.703 1311 K N 0.766 121.169 120.400 0.006 0.000 2.334 1311 K HA 0.143 4.463 4.320 -0.000 0.000 0.195 1311 K C 0.347 176.991 176.600 0.072 0.000 1.045 1311 K CA 0.502 56.809 56.287 0.033 0.000 1.004 1311 K CB 0.496 33.008 32.500 0.019 0.000 0.837 1311 K HN 0.392 nan 8.250 nan 0.000 0.510 1312 E N 2.377 122.641 120.200 0.107 0.000 2.272 1312 E HA 0.282 4.632 4.350 -0.000 0.000 0.269 1312 E C -2.582 174.099 176.600 0.134 0.000 0.877 1312 E CA -2.688 53.772 56.400 0.101 0.000 0.755 1312 E CB 1.692 31.432 29.700 0.067 0.000 1.192 1312 E HN 0.122 nan 8.360 nan 0.000 0.422 1313 P HA -0.171 nan 4.420 nan 0.000 0.267 1313 P C -0.144 177.112 177.300 -0.073 0.000 1.145 1313 P CA 0.338 63.436 63.100 -0.004 0.000 0.753 1313 P CB 0.217 31.903 31.700 -0.022 0.000 0.748 1314 V N 3.938 123.682 119.914 -0.282 0.000 2.434 1314 V HA -0.095 4.025 4.120 -0.000 0.000 0.281 1314 V C 1.302 177.284 176.094 -0.187 0.000 1.005 1314 V CA 0.201 62.256 62.300 -0.409 0.000 1.089 1314 V CB -1.280 30.169 31.823 -0.623 0.000 0.978 1314 V HN 0.634 nan 8.190 nan 0.000 0.474 1315 H N 4.366 123.344 119.070 -0.153 0.000 3.034 1315 H HA 0.391 4.947 4.556 0.000 0.000 0.324 1315 H C 1.151 176.426 175.328 -0.089 0.000 1.015 1315 H CA 1.036 57.026 56.048 -0.096 0.000 1.429 1315 H CB 0.556 30.305 29.762 -0.022 0.000 1.429 1315 H HN 0.895 nan 8.280 nan 0.000 0.585 1316 G N 2.719 111.191 108.800 -0.547 0.000 2.232 1316 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.226 1316 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.226 1316 G C 0.035 174.837 174.900 -0.165 0.000 0.996 1316 G CA 0.050 44.946 45.100 -0.341 0.000 0.626 1316 G HN 1.118 nan 8.290 nan 0.000 0.509 1317 V N -0.926 118.769 119.914 -0.365 0.000 2.432 1317 V HA 0.843 4.963 4.120 -0.000 0.000 0.275 1317 V C -0.221 175.551 176.094 -0.537 0.000 1.043 1317 V CA -1.297 60.832 62.300 -0.285 0.000 0.925 1317 V CB 0.541 32.232 31.823 -0.220 0.000 0.985 1317 V HN 0.357 nan 8.190 nan 0.000 0.466 1318 Y N 3.085 123.378 120.300 -0.011 0.000 2.576 1318 Y HA 0.525 5.075 4.550 -0.000 0.000 0.346 1318 Y C -0.468 175.467 175.900 0.058 0.000 1.018 1318 Y CA -1.163 56.961 58.100 0.041 0.000 1.050 1318 Y CB 1.864 40.336 38.460 0.020 0.000 1.280 1318 Y HN 0.749 nan 8.280 nan 0.000 0.474 1319 Y N 2.409 122.786 120.300 0.128 0.000 2.436 1319 Y HA 0.234 4.784 4.550 0.000 0.000 0.336 1319 Y C -0.374 175.534 175.900 0.013 0.000 1.049 1319 Y CA -0.757 57.346 58.100 0.005 0.000 1.294 1319 Y CB 0.413 38.896 38.460 0.037 0.000 1.179 1319 Y HN 0.524 nan 8.280 nan 0.000 0.520 1320 D N 8.770 128.827 120.400 -0.572 0.000 2.412 1320 D HA 0.280 4.920 4.640 -0.000 0.000 0.224 1320 D C -2.112 173.646 176.300 -0.902 0.000 1.093 1320 D CA -2.577 51.106 54.000 -0.529 0.000 0.850 1320 D CB 1.833 42.468 40.800 -0.276 0.000 1.046 1320 D HN 0.360 nan 8.370 nan 0.000 0.507 1321 P HA -0.109 nan 4.420 nan 0.000 0.223 1321 P C 0.885 178.018 177.300 -0.278 0.000 1.144 1321 P CA 0.910 63.674 63.100 -0.561 0.000 0.783 1321 P CB 0.235 31.813 31.700 -0.203 0.000 0.771 1322 S N -2.902 112.651 115.700 -0.244 0.000 2.556 1322 S HA 0.179 4.649 4.470 -0.000 0.000 0.216 1322 S C 0.601 175.120 174.600 -0.134 0.000 0.970 1322 S CA -0.190 57.923 58.200 -0.146 0.000 0.912 1322 S CB -0.366 62.765 63.200 -0.115 0.000 0.790 1322 S HN 0.038 nan 8.310 nan 0.000 0.504 1323 K N 1.442 121.733 120.400 -0.182 0.000 2.267 1323 K HA 0.415 4.735 4.320 -0.000 0.000 0.246 1323 K C -1.172 175.361 176.600 -0.112 0.000 0.954 1323 K CA -0.883 55.325 56.287 -0.132 0.000 0.824 1323 K CB 0.934 33.354 32.500 -0.134 0.000 1.167 1323 K HN 0.114 nan 8.250 nan 0.000 0.431 1324 D N 1.607 121.961 120.400 -0.077 0.000 2.382 1324 D HA 0.081 4.721 4.640 -0.000 0.000 0.240 1324 D C -0.178 176.049 176.300 -0.121 0.000 1.146 1324 D CA 0.295 54.251 54.000 -0.074 0.000 0.897 1324 D CB 0.797 41.559 40.800 -0.063 0.000 1.197 1324 D HN 0.191 nan 8.370 nan 0.000 0.432 1325 L N 1.949 123.075 121.223 -0.162 0.000 2.309 1325 L HA 0.499 4.839 4.340 -0.000 0.000 0.282 1325 L C 0.052 176.709 176.870 -0.356 0.000 1.036 1325 L CA -0.696 53.970 54.840 -0.290 0.000 0.806 1325 L CB 1.097 42.941 42.059 -0.358 0.000 1.220 1325 L HN 0.255 nan 8.230 nan 0.000 0.429 1326 I N 0.537 120.799 120.570 -0.513 0.000 2.619 1326 I HA 0.810 4.980 4.170 -0.000 0.000 0.292 1326 I C -0.769 174.843 176.117 -0.842 0.000 1.100 1326 I CA -0.798 60.133 61.300 -0.616 0.000 1.043 1326 I CB 2.149 39.847 38.000 -0.504 0.000 1.239 1326 I HN 0.538 nan 8.210 nan 0.000 0.420 1327 A N 4.351 126.685 122.820 -0.810 0.000 2.318 1327 A HA 0.662 4.982 4.320 -0.000 0.000 0.324 1327 A C -0.678 176.621 177.584 -0.475 0.000 1.170 1327 A CA -0.476 51.118 52.037 -0.737 0.000 0.810 1327 A CB 1.283 19.615 19.000 -1.113 0.000 1.198 1327 A HN 0.869 nan 8.150 nan 0.000 0.484 1328 E N 2.044 122.113 120.200 -0.220 0.000 2.199 1328 E HA 0.648 4.998 4.350 -0.000 0.000 0.269 1328 E C -1.427 175.222 176.600 0.082 0.000 0.899 1328 E CA -0.449 55.932 56.400 -0.031 0.000 0.772 1328 E CB 1.288 31.033 29.700 0.074 0.000 1.155 1328 E HN 0.640 nan 8.360 nan 0.000 0.408 1329 I N 3.318 123.957 120.570 0.115 0.000 2.465 1329 I HA 0.261 4.431 4.170 -0.000 0.000 0.291 1329 I C -0.834 175.392 176.117 0.182 0.000 1.014 1329 I CA -0.912 60.505 61.300 0.194 0.000 1.093 1329 I CB 1.936 40.060 38.000 0.207 0.000 1.267 1329 I HN 0.405 nan 8.210 nan 0.000 0.431 1330 Q N 4.597 124.493 119.800 0.161 0.000 2.309 1330 Q HA 0.371 4.711 4.340 -0.000 0.000 0.264 1330 Q C -0.586 175.447 176.000 0.055 0.000 1.008 1330 Q CA -0.764 55.084 55.803 0.076 0.000 0.853 1330 Q CB 2.277 30.991 28.738 -0.041 0.000 1.314 1330 Q HN 0.338 nan 8.270 nan 0.000 0.448 1331 K N 2.157 122.511 120.400 -0.076 0.000 2.273 1331 K HA 0.076 4.396 4.320 -0.000 0.000 0.287 1331 K C -0.158 176.155 176.600 -0.478 0.000 1.089 1331 K CA -0.146 55.812 56.287 -0.549 0.000 0.909 1331 K CB 0.615 32.770 32.500 -0.576 0.000 1.123 1331 K HN 0.496 nan 8.250 nan 0.000 0.473 1332 Q N 2.573 122.045 119.800 -0.547 0.000 2.322 1332 Q HA 0.101 4.441 4.340 -0.000 0.000 0.203 1332 Q C 0.480 176.265 176.000 -0.359 0.000 0.923 1332 Q CA 0.477 56.029 55.803 -0.418 0.000 0.949 1332 Q CB 0.215 28.659 28.738 -0.489 0.000 1.039 1332 Q HN 0.994 nan 8.270 nan 0.000 0.496 1333 G N 1.584 110.119 108.800 -0.441 0.000 2.901 1333 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.654 1333 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.654 1333 G C -0.296 174.449 174.900 -0.257 0.000 1.550 1333 G CA 0.136 45.050 45.100 -0.309 0.000 0.978 1333 G HN 0.392 nan 8.290 nan 0.000 0.566 1334 Q N -0.949 118.748 119.800 -0.172 0.000 2.452 1334 Q HA -0.115 4.225 4.340 -0.000 0.000 0.318 1334 Q C 1.498 177.432 176.000 -0.110 0.000 1.386 1334 Q CA 2.078 57.816 55.803 -0.109 0.000 0.872 1334 Q CB -1.426 27.265 28.738 -0.078 0.000 1.151 1334 Q HN 2.936 nan 8.270 nan 0.000 0.417 1335 G N -0.145 108.587 108.800 -0.114 0.000 2.187 1335 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.261 1335 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.261 1335 G C -0.204 174.671 174.900 -0.042 0.000 1.000 1335 G CA 0.709 45.807 45.100 -0.003 0.000 0.718 1335 G HN 0.459 nan 8.290 nan 0.000 0.519 1336 Q N -1.092 118.532 119.800 -0.293 0.000 2.322 1336 Q HA 0.563 4.903 4.340 -0.000 0.000 0.265 1336 Q C -0.880 174.837 176.000 -0.471 0.000 0.985 1336 Q CA -0.379 55.276 55.803 -0.246 0.000 0.849 1336 Q CB 1.388 29.976 28.738 -0.250 0.000 1.274 1336 Q HN 0.396 nan 8.270 nan 0.000 0.449 1337 W N 1.268 122.569 121.300 0.001 0.000 2.739 1337 W HA 0.370 5.030 4.660 -0.000 0.000 0.331 1337 W C 0.057 176.592 176.519 0.026 0.000 1.049 1337 W CA -0.567 56.799 57.345 0.035 0.000 1.234 1337 W CB 1.603 31.155 29.460 0.153 0.000 1.404 1337 W HN 0.416 nan 8.180 nan 0.000 0.477 1338 T N -0.101 114.524 114.554 0.117 0.000 2.945 1338 T HA 0.839 5.189 4.350 -0.000 0.000 0.286 1338 T C -1.076 173.728 174.700 0.173 0.000 1.025 1338 T CA -0.646 61.463 62.100 0.015 0.000 1.039 1338 T CB 1.766 70.490 68.868 -0.240 0.000 1.068 1338 T HN 0.475 nan 8.240 nan 0.000 0.497 1339 Y N -1.022 119.299 120.300 0.036 0.000 2.609 1339 Y HA 0.781 5.331 4.550 -0.000 0.000 0.336 1339 Y C -1.559 174.354 175.900 0.021 0.000 1.129 1339 Y CA -1.427 56.691 58.100 0.030 0.000 1.040 1339 Y CB 1.285 39.766 38.460 0.035 0.000 1.310 1339 Y HN 0.643 nan 8.280 nan 0.000 0.460 1340 Q N 2.062 121.922 119.800 0.099 0.000 2.421 1340 Q HA 0.719 5.059 4.340 -0.000 0.000 0.280 1340 Q C -1.573 174.452 176.000 0.043 0.000 1.085 1340 Q CA -0.649 55.183 55.803 0.048 0.000 0.807 1340 Q CB 3.408 32.210 28.738 0.107 0.000 1.405 1340 Q HN 0.771 nan 8.270 nan 0.000 0.419 1341 I N 2.685 123.261 120.570 0.010 0.000 2.436 1341 I HA 0.602 4.772 4.170 -0.000 0.000 0.289 1341 I C -1.339 174.692 176.117 -0.143 0.000 1.010 1341 I CA -0.981 60.209 61.300 -0.184 0.000 1.098 1341 I CB 1.018 38.960 38.000 -0.098 0.000 1.266 1341 I HN 0.671 nan 8.210 nan 0.000 0.434 1342 Y N 3.049 123.219 120.300 -0.216 0.000 2.656 1342 Y HA 0.424 4.974 4.550 -0.000 0.000 0.334 1342 Y C -0.339 175.449 175.900 -0.186 0.000 1.179 1342 Y CA -0.991 56.994 58.100 -0.191 0.000 1.050 1342 Y CB 0.974 39.349 38.460 -0.142 0.000 1.308 1342 Y HN 0.450 nan 8.280 nan 0.000 0.456 1343 Q N -0.190 119.683 119.800 0.122 0.000 2.423 1343 Q HA 0.240 4.580 4.340 -0.000 0.000 0.231 1343 Q C -0.634 175.464 176.000 0.163 0.000 0.894 1343 Q CA 0.404 56.237 55.803 0.050 0.000 0.938 1343 Q CB 0.953 29.667 28.738 -0.040 0.000 1.079 1343 Q HN 0.560 nan 8.270 nan 0.000 0.552 1344 E N 1.185 121.489 120.200 0.173 0.000 2.224 1344 E HA 0.338 4.688 4.350 -0.000 0.000 0.265 1344 E C -2.614 173.955 176.600 -0.052 0.000 0.878 1344 E CA -2.430 54.021 56.400 0.085 0.000 0.759 1344 E CB 1.700 31.415 29.700 0.025 0.000 1.164 1344 E HN -0.099 nan 8.360 nan 0.000 0.414 1345 P HA -0.121 nan 4.420 nan 0.000 0.261 1345 P C -0.224 177.016 177.300 -0.100 0.000 1.158 1345 P CA 0.696 63.523 63.100 -0.454 0.000 0.758 1345 P CB -0.003 31.716 31.700 0.033 0.000 0.763 1346 F N 0.235 119.849 119.950 -0.559 0.000 2.825 1346 F HA -0.253 4.274 4.527 -0.000 0.000 0.358 1346 F C 0.904 176.569 175.800 -0.225 0.000 0.639 1346 F CA 1.110 58.965 58.000 -0.241 0.000 1.153 1346 F CB -1.434 37.535 39.000 -0.052 0.000 1.610 1346 F HN 0.327 nan 8.300 nan 0.000 0.305 1347 K N 1.791 122.123 120.400 -0.113 0.000 2.457 1347 K HA 0.247 4.567 4.320 -0.000 0.000 0.226 1347 K C -0.177 176.370 176.600 -0.088 0.000 1.114 1347 K CA -0.236 55.985 56.287 -0.110 0.000 1.089 1347 K CB -0.090 32.368 32.500 -0.070 0.000 1.739 1347 K HN 0.121 nan 8.250 nan 0.000 0.473 1348 N N 2.456 121.085 118.700 -0.118 0.000 2.440 1348 N HA -0.009 4.731 4.740 -0.000 0.000 0.265 1348 N C 1.258 176.739 175.510 -0.049 0.000 1.239 1348 N CA 0.135 53.158 53.050 -0.044 0.000 0.909 1348 N CB 1.058 39.510 38.487 -0.058 0.000 1.066 1348 N HN 0.274 nan 8.380 nan 0.000 0.474 1349 L N 1.346 122.565 121.223 -0.007 0.000 2.209 1349 L HA 0.062 4.402 4.340 -0.000 0.000 0.207 1349 L C 1.035 177.981 176.870 0.127 0.000 1.094 1349 L CA 0.907 55.765 54.840 0.030 0.000 0.790 1349 L CB 0.053 42.081 42.059 -0.052 0.000 0.932 1349 L HN 0.526 nan 8.230 nan 0.000 0.447 1350 K N -0.628 119.842 120.400 0.116 0.000 2.568 1350 K HA 0.367 4.687 4.320 -0.000 0.000 0.273 1350 K C -1.292 175.327 176.600 0.033 0.000 0.951 1350 K CA -0.494 55.870 56.287 0.129 0.000 0.854 1350 K CB 2.070 34.735 32.500 0.275 0.000 1.424 1350 K HN -0.070 nan 8.250 nan 0.000 0.427 1351 T N -0.859 113.657 114.554 -0.062 0.000 2.883 1351 T HA 0.880 5.230 4.350 -0.000 0.000 0.301 1351 T C -0.192 174.239 174.700 -0.448 0.000 1.158 1351 T CA -0.312 61.636 62.100 -0.254 0.000 1.007 1351 T CB 1.934 70.739 68.868 -0.105 0.000 1.186 1351 T HN 0.807 nan 8.240 nan 0.000 0.499 1352 G N 0.333 108.584 108.800 -0.915 0.000 2.561 1352 G HA2 0.656 4.616 3.960 -0.000 0.000 0.310 1352 G HA3 0.656 4.616 3.960 -0.000 0.000 0.310 1352 G C -1.969 172.669 174.900 -0.437 0.000 1.292 1352 G CA -0.904 43.790 45.100 -0.676 0.000 0.811 1352 G HN 0.866 nan 8.290 nan 0.000 0.482 1353 K N -1.721 118.694 120.400 0.025 0.000 2.469 1353 K HA 0.699 5.019 4.320 -0.000 0.000 0.268 1353 K C -2.276 174.561 176.600 0.395 0.000 1.027 1353 K CA -0.962 55.426 56.287 0.168 0.000 0.893 1353 K CB 2.602 35.130 32.500 0.046 0.000 1.460 1353 K HN 0.645 nan 8.250 nan 0.000 0.449 1354 Y N 0.116 120.541 120.300 0.208 0.000 2.436 1354 Y HA 0.604 5.154 4.550 0.000 0.000 0.327 1354 Y C -1.888 174.139 175.900 0.213 0.000 1.138 1354 Y CA -0.233 57.982 58.100 0.192 0.000 1.042 1354 Y CB 1.840 40.402 38.460 0.171 0.000 1.302 1354 Y HN 0.757 nan 8.280 nan 0.000 0.439 1363 N N 1.362 119.989 118.700 -0.123 0.000 2.518 1363 N HA 0.215 4.955 4.740 -0.000 0.000 0.283 1363 N C 0.282 175.757 175.510 -0.059 0.000 1.119 1363 N CA -0.694 52.276 53.050 -0.134 0.000 0.983 1363 N CB 1.038 39.367 38.487 -0.263 0.000 1.139 1363 N HN 0.074 nan 8.380 nan 0.000 0.465 1364 D N 1.069 121.493 120.400 0.041 0.000 2.123 1364 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 1364 D C 1.839 178.205 176.300 0.110 0.000 0.992 1364 D CA 0.878 55.011 54.000 0.221 0.000 0.833 1364 D CB -0.069 40.892 40.800 0.267 0.000 0.954 1364 D HN 0.300 nan 8.370 nan 0.000 0.455 1365 V N 0.748 120.678 119.914 0.026 0.000 2.515 1365 V HA -0.183 3.937 4.120 -0.000 0.000 0.250 1365 V C 2.170 178.194 176.094 -0.118 0.000 1.058 1365 V CA 1.809 64.136 62.300 0.046 0.000 1.064 1365 V CB -0.232 31.646 31.823 0.092 0.000 0.675 1365 V HN 0.098 nan 8.190 nan 0.000 0.461 1366 K N -0.694 119.464 120.400 -0.403 0.000 2.057 1366 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 1366 K C 2.180 178.598 176.600 -0.303 0.000 1.050 1366 K CA 1.970 57.840 56.287 -0.694 0.000 0.935 1366 K CB -0.190 31.722 32.500 -0.979 0.000 0.715 1366 K HN 0.653 nan 8.250 nan 0.000 0.439 1367 Q N 0.492 120.171 119.800 -0.202 0.000 2.046 1367 Q HA -0.172 4.168 4.340 -0.000 0.000 0.200 1367 Q C 2.210 177.915 176.000 -0.491 0.000 0.975 1367 Q CA 1.217 56.929 55.803 -0.152 0.000 0.836 1367 Q CB -0.204 28.576 28.738 0.070 0.000 0.896 1367 Q HN 0.218 nan 8.270 nan 0.000 0.428 1368 L N 1.299 122.127 121.223 -0.658 0.000 2.012 1368 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 1368 L C 2.475 179.208 176.870 -0.229 0.000 1.073 1368 L CA 2.589 57.017 54.840 -0.688 0.000 0.748 1368 L CB -1.120 40.690 42.059 -0.415 0.000 0.891 1368 L HN 0.385 nan 8.230 nan 0.000 0.431 1369 T N -3.878 110.700 114.554 0.039 0.000 2.788 1369 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 1369 T C 1.769 176.442 174.700 -0.044 0.000 1.044 1369 T CA 1.419 63.658 62.100 0.232 0.000 1.139 1369 T CB -0.527 68.490 68.868 0.250 0.000 0.867 1369 T HN 0.452 nan 8.240 nan 0.000 0.454 1370 E N 1.411 121.489 120.200 -0.203 0.000 2.051 1370 E HA 0.026 4.376 4.350 -0.000 0.000 0.192 1370 E C 2.601 178.831 176.600 -0.617 0.000 0.991 1370 E CA 1.126 57.337 56.400 -0.315 0.000 0.799 1370 E CB -0.466 29.134 29.700 -0.166 0.000 0.748 1370 E HN 0.647 nan 8.360 nan 0.000 0.449 1371 A N 0.381 122.638 122.820 -0.938 0.000 1.908 1371 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 1371 A C 2.429 179.686 177.584 -0.545 0.000 1.181 1371 A CA 1.335 52.750 52.037 -1.037 0.000 0.627 1371 A CB -0.698 17.782 19.000 -0.867 0.000 0.818 1371 A HN 0.180 nan 8.150 nan 0.000 0.445 1372 V N -0.145 119.531 119.914 -0.396 0.000 2.407 1372 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 1372 V C 2.615 178.589 176.094 -0.200 0.000 1.055 1372 V CA 2.322 64.396 62.300 -0.376 0.000 1.049 1372 V CB -0.737 30.865 31.823 -0.369 0.000 0.662 1372 V HN 0.677 nan 8.190 nan 0.000 0.455 1373 Q N -0.460 119.217 119.800 -0.204 0.000 2.137 1373 Q HA -0.177 4.163 4.340 -0.000 0.000 0.198 1373 Q C 2.302 178.316 176.000 0.023 0.000 0.960 1373 Q CA 1.346 57.111 55.803 -0.064 0.000 0.847 1373 Q CB -0.154 28.352 28.738 -0.387 0.000 0.915 1373 Q HN 0.606 nan 8.270 nan 0.000 0.448 1374 K N 1.395 121.707 120.400 -0.146 0.000 2.002 1374 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 1374 K C 1.939 178.437 176.600 -0.171 0.000 1.048 1374 K CA 1.296 57.507 56.287 -0.126 0.000 0.930 1374 K CB -0.129 32.241 32.500 -0.217 0.000 0.714 1374 K HN 0.107 nan 8.250 nan 0.000 0.438 1375 I N 1.154 121.565 120.570 -0.265 0.000 2.208 1375 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 1375 I C 2.186 178.262 176.117 -0.068 0.000 1.097 1375 I CA 1.554 62.689 61.300 -0.275 0.000 1.363 1375 I CB -0.484 37.325 38.000 -0.318 0.000 1.051 1375 I HN 0.305 nan 8.210 nan 0.000 0.413 1376 T N -0.164 114.416 114.554 0.044 0.000 2.708 1376 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 1376 T C 1.939 176.513 174.700 -0.211 0.000 1.037 1376 T CA 1.997 64.047 62.100 -0.083 0.000 1.146 1376 T CB -0.392 68.301 68.868 -0.291 0.000 0.865 1376 T HN 0.358 nan 8.240 nan 0.000 0.435 1377 T N 2.254 116.782 114.554 -0.043 0.000 2.684 1377 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 1377 T C 1.965 176.659 174.700 -0.010 0.000 1.036 1377 T CA 1.258 63.410 62.100 0.087 0.000 1.148 1377 T CB -0.297 68.755 68.868 0.307 0.000 0.863 1377 T HN 0.549 nan 8.240 nan 0.000 0.436 1378 E N 0.846 120.969 120.200 -0.129 0.000 2.077 1378 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 1378 E C 2.475 178.954 176.600 -0.202 0.000 0.989 1378 E CA 1.138 57.375 56.400 -0.272 0.000 0.800 1378 E CB -0.232 29.101 29.700 -0.612 0.000 0.746 1378 E HN 0.347 nan 8.360 nan 0.000 0.452 1379 S N 0.663 116.280 115.700 -0.139 0.000 2.382 1379 S HA -0.129 4.341 4.470 -0.000 0.000 0.228 1379 S C 1.990 176.497 174.600 -0.154 0.000 1.027 1379 S CA 0.781 58.975 58.200 -0.009 0.000 0.991 1379 S CB -0.152 63.086 63.200 0.063 0.000 0.823 1379 S HN 0.176 nan 8.310 nan 0.000 0.469 1380 I N 0.732 121.126 120.570 -0.293 0.000 2.286 1380 I HA -0.094 4.076 4.170 -0.000 0.000 0.245 1380 I C 2.269 178.181 176.117 -0.342 0.000 1.104 1380 I CA 0.747 61.769 61.300 -0.463 0.000 1.397 1380 I CB -0.357 37.224 38.000 -0.699 0.000 1.072 1380 I HN 0.185 nan 8.210 nan 0.000 0.417 1381 V N 1.272 121.032 119.914 -0.257 0.000 2.295 1381 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 1381 V C 2.273 178.293 176.094 -0.124 0.000 1.049 1381 V CA 1.949 64.159 62.300 -0.150 0.000 1.024 1381 V CB -0.335 31.512 31.823 0.040 0.000 0.648 1381 V HN 0.319 nan 8.190 nan 0.000 0.447 1382 I N -1.770 118.586 120.570 -0.356 0.000 2.233 1382 I HA -0.173 3.997 4.170 -0.000 0.000 0.243 1382 I C 2.163 177.705 176.117 -0.958 0.000 1.093 1382 I CA 1.585 62.444 61.300 -0.734 0.000 1.380 1382 I CB -0.244 36.910 38.000 -1.409 0.000 1.067 1382 I HN 0.389 nan 8.210 nan 0.000 0.413 1383 W N -0.125 120.863 121.300 -0.520 0.000 2.940 1383 W HA 0.364 5.024 4.660 0.000 0.000 0.297 1383 W C 1.441 177.388 176.519 -0.955 0.000 1.149 1383 W CA 0.740 57.618 57.345 -0.779 0.000 1.564 1383 W CB -0.195 28.792 29.460 -0.788 0.000 1.010 1383 W HN 0.298 nan 8.180 nan 0.000 0.578 1384 G N 2.280 110.685 108.800 -0.659 0.000 2.132 1384 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.228 1384 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.228 1384 G C 0.019 174.848 174.900 -0.118 0.000 1.000 1384 G CA 0.612 45.482 45.100 -0.384 0.000 0.693 1384 G HN 0.354 nan 8.290 nan 0.000 0.515 1385 K N -1.264 119.039 120.400 -0.163 0.000 2.551 1385 K HA 0.733 5.053 4.320 -0.000 0.000 0.269 1385 K C -0.159 176.362 176.600 -0.131 0.000 0.949 1385 K CA -0.438 55.819 56.287 -0.051 0.000 0.849 1385 K CB 1.017 33.574 32.500 0.096 0.000 1.411 1385 K HN 0.485 nan 8.250 nan 0.000 0.432 1386 T N -0.454 114.045 114.554 -0.091 0.000 2.913 1386 T HA 0.536 4.886 4.350 -0.000 0.000 0.287 1386 T C -2.154 172.506 174.700 -0.067 0.000 1.008 1386 T CA -1.405 60.627 62.100 -0.113 0.000 1.067 1386 T CB 0.951 69.769 68.868 -0.084 0.000 0.996 1386 T HN 0.526 nan 8.240 nan 0.000 0.513 1387 P HA 0.383 nan 4.420 nan 0.000 0.287 1387 P C -1.090 176.084 177.300 -0.211 0.000 1.279 1387 P CA -0.952 61.993 63.100 -0.259 0.000 0.867 1387 P CB 1.222 32.631 31.700 -0.485 0.000 1.127 1388 K N 1.582 121.840 120.400 -0.236 0.000 2.258 1388 K HA 0.329 4.649 4.320 -0.000 0.000 0.284 1388 K C -0.983 175.474 176.600 -0.238 0.000 1.051 1388 K CA -0.375 55.842 56.287 -0.116 0.000 0.923 1388 K CB 0.028 32.466 32.500 -0.104 0.000 1.046 1388 K HN 0.200 nan 8.250 nan 0.000 0.474 1389 F N 3.107 122.987 119.950 -0.117 0.000 2.394 1389 F HA 0.301 4.828 4.527 -0.000 0.000 0.340 1389 F C 0.417 176.095 175.800 -0.204 0.000 1.105 1389 F CA -0.401 57.506 58.000 -0.155 0.000 1.124 1389 F CB 1.426 40.337 39.000 -0.148 0.000 1.145 1389 F HN 0.293 nan 8.300 nan 0.000 0.505 1390 K N 4.938 125.311 120.400 -0.045 0.000 2.347 1390 K HA 0.427 4.747 4.320 -0.000 0.000 0.262 1390 K C -1.106 175.450 176.600 -0.073 0.000 1.052 1390 K CA -0.289 55.953 56.287 -0.074 0.000 0.946 1390 K CB 0.825 33.304 32.500 -0.035 0.000 1.220 1390 K HN 0.504 nan 8.250 nan 0.000 0.450 1391 L N 5.363 126.461 121.223 -0.207 0.000 2.264 1391 L HA 0.292 4.632 4.340 -0.000 0.000 0.289 1391 L C -1.778 175.073 176.870 -0.032 0.000 1.044 1391 L CA -2.048 52.657 54.840 -0.225 0.000 0.807 1391 L CB 0.953 42.639 42.059 -0.621 0.000 1.192 1391 L HN 0.336 nan 8.230 nan 0.000 0.425 1392 P HA 0.198 nan 4.420 nan 0.000 0.241 1392 P C -0.524 176.867 177.300 0.150 0.000 1.760 1392 P CA 0.465 63.637 63.100 0.120 0.000 1.081 1392 P CB 0.517 32.312 31.700 0.160 0.000 1.975 1393 I N -0.680 119.986 120.570 0.160 0.000 3.021 1393 I HA 0.203 4.373 4.170 -0.000 0.000 0.305 1393 I C -1.386 174.811 176.117 0.133 0.000 1.434 1393 I CA -1.125 60.275 61.300 0.166 0.000 0.969 1393 I CB 2.818 40.934 38.000 0.193 0.000 1.328 1393 I HN -0.088 nan 8.210 nan 0.000 0.486 1394 Q N 4.620 124.458 119.800 0.064 0.000 2.288 1394 Q HA 0.147 4.487 4.340 -0.000 0.000 0.258 1394 Q C 0.737 176.578 176.000 -0.266 0.000 0.957 1394 Q CA -0.038 55.741 55.803 -0.040 0.000 0.919 1394 Q CB 1.533 30.286 28.738 0.024 0.000 1.185 1394 Q HN 0.635 nan 8.270 nan 0.000 0.408 1395 K N 3.270 123.296 120.400 -0.623 0.000 2.052 1395 K HA -0.309 4.011 4.320 -0.000 0.000 0.215 1395 K C 1.061 177.415 176.600 -0.410 0.000 1.053 1395 K CA 2.470 58.081 56.287 -1.126 0.000 0.934 1395 K CB 0.171 32.249 32.500 -0.704 0.000 0.717 1395 K HN 0.656 nan 8.250 nan 0.000 0.450 1396 E N -0.242 119.892 120.200 -0.111 0.000 2.160 1396 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 1396 E C 1.961 178.626 176.600 0.108 0.000 0.991 1396 E CA 1.818 58.268 56.400 0.083 0.000 0.810 1396 E CB -0.341 29.441 29.700 0.137 0.000 0.742 1396 E HN 0.388 nan 8.360 nan 0.000 0.466 1397 T N 0.152 114.778 114.554 0.120 0.000 2.812 1397 T HA -0.134 4.216 4.350 -0.000 0.000 0.264 1397 T C 1.303 176.187 174.700 0.306 0.000 1.042 1397 T CA 0.966 63.226 62.100 0.267 0.000 1.140 1397 T CB -0.329 68.680 68.868 0.235 0.000 0.870 1397 T HN 0.400 nan 8.240 nan 0.000 0.445 1398 W N 2.267 123.556 121.300 -0.017 0.000 2.378 1398 W HA -0.108 4.552 4.660 -0.000 0.000 0.313 1398 W C 1.771 178.308 176.519 0.031 0.000 1.197 1398 W CA 1.265 58.599 57.345 -0.018 0.000 1.304 1398 W CB -0.194 29.186 29.460 -0.134 0.000 1.148 1398 W HN 0.384 nan 8.180 nan 0.000 0.494 1399 E N -0.444 119.731 120.200 -0.042 0.000 2.204 1399 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 1399 E C 1.986 178.168 176.600 -0.697 0.000 0.990 1399 E CA 1.869 58.050 56.400 -0.365 0.000 0.821 1399 E CB -0.291 28.959 29.700 -0.749 0.000 0.750 1399 E HN 0.160 nan 8.360 nan 0.000 0.477 1400 T N -0.609 113.701 114.554 -0.406 0.000 2.942 1400 T HA -0.074 4.276 4.350 -0.000 0.000 0.265 1400 T C 0.841 175.048 174.700 -0.822 0.000 1.062 1400 T CA 0.891 62.675 62.100 -0.527 0.000 1.139 1400 T CB -0.075 68.500 68.868 -0.488 0.000 0.883 1400 T HN 0.351 nan 8.240 nan 0.000 0.468 1401 W N 0.234 121.359 121.300 -0.292 0.000 2.940 1401 W HA 0.303 4.963 4.660 0.000 0.000 0.297 1401 W C 1.953 178.180 176.519 -0.485 0.000 1.149 1401 W CA -1.308 55.845 57.345 -0.320 0.000 1.564 1401 W CB -0.286 29.121 29.460 -0.088 0.000 1.010 1401 W HN 0.278 nan 8.180 nan 0.000 0.578 1402 W N 1.664 122.542 121.300 -0.702 0.000 2.325 1402 W HA -0.234 4.426 4.660 -0.000 0.000 0.299 1402 W C 1.644 177.875 176.519 -0.481 0.000 1.215 1402 W CA 2.343 59.147 57.345 -0.902 0.000 1.244 1402 W CB -1.917 26.450 29.460 -1.820 0.000 1.140 1402 W HN -0.004 nan 8.180 nan 0.000 0.523 1403 T N -0.720 112.999 114.554 -1.392 0.000 2.962 1403 T HA -0.224 4.126 4.350 -0.000 0.000 0.270 1403 T C 1.534 175.927 174.700 -0.512 0.000 1.088 1403 T CA 1.710 63.130 62.100 -1.134 0.000 1.127 1403 T CB -0.495 67.575 68.868 -1.331 0.000 0.883 1403 T HN 0.111 nan 8.240 nan 0.000 0.493 1404 E N 0.756 120.629 120.200 -0.546 0.000 2.209 1404 E HA -0.103 4.247 4.350 -0.000 0.000 0.196 1404 E C 0.649 176.801 176.600 -0.747 0.000 0.993 1404 E CA 1.263 57.285 56.400 -0.629 0.000 0.819 1404 E CB -0.290 28.928 29.700 -0.804 0.000 0.745 1404 E HN 0.884 nan 8.360 nan 0.000 0.477 1405 Y N -2.711 117.582 120.300 -0.012 0.000 2.563 1405 Y HA 0.215 4.765 4.550 -0.000 0.000 0.250 1405 Y C 0.312 176.242 175.900 0.051 0.000 1.126 1405 Y CA -0.941 57.162 58.100 0.005 0.000 1.231 1405 Y CB -0.238 38.220 38.460 -0.004 0.000 1.288 1405 Y HN 0.010 nan 8.280 nan 0.000 0.537 1406 W N 3.643 124.925 121.300 -0.030 0.000 2.158 1406 W HA 0.142 4.802 4.660 0.000 0.000 0.339 1406 W C 0.074 176.549 176.519 -0.074 0.000 1.294 1406 W CA 0.907 58.252 57.345 0.001 0.000 1.231 1406 W CB 0.885 30.400 29.460 0.092 0.000 1.143 1406 W HN 0.235 nan 8.180 nan 0.000 0.571 1407 Q N 2.820 122.369 119.800 -0.418 0.000 1.988 1407 Q HA 0.198 4.538 4.340 -0.000 0.000 0.199 1407 Q C 0.041 175.745 176.000 -0.494 0.000 0.767 1407 Q CA -0.239 55.365 55.803 -0.332 0.000 0.966 1407 Q CB 1.200 29.760 28.738 -0.296 0.000 1.219 1407 Q HN 0.362 nan 8.270 nan 0.000 0.432 1408 A N 0.693 122.983 122.820 -0.883 0.000 2.269 1408 A HA 0.452 4.772 4.320 -0.000 0.000 0.319 1408 A C 1.036 178.322 177.584 -0.496 0.000 1.110 1408 A CA -0.151 51.295 52.037 -0.984 0.000 0.847 1408 A CB 0.560 18.304 19.000 -2.093 0.000 1.161 1408 A HN 0.180 nan 8.150 nan 0.000 0.497 1409 T N -1.829 112.414 114.554 -0.519 0.000 3.107 1409 T HA 0.151 4.501 4.350 -0.000 0.000 0.249 1409 T C 0.362 175.118 174.700 0.094 0.000 1.096 1409 T CA -0.081 61.955 62.100 -0.107 0.000 1.012 1409 T CB -0.390 68.451 68.868 -0.044 0.000 0.977 1409 T HN 0.657 nan 8.240 nan 0.000 0.527 1410 W N 0.705 122.224 121.300 0.365 0.000 2.655 1410 W HA 0.775 5.435 4.660 -0.000 0.000 0.358 1410 W C -1.111 175.690 176.519 0.470 0.000 1.100 1410 W CA -1.802 55.749 57.345 0.344 0.000 1.195 1410 W CB 0.747 30.405 29.460 0.330 0.000 1.403 1410 W HN -0.123 nan 8.180 nan 0.000 0.589 1411 I N 2.972 123.946 120.570 0.673 0.000 2.500 1411 I HA 0.216 4.386 4.170 -0.000 0.000 0.286 1411 I C -2.104 174.103 176.117 0.150 0.000 1.063 1411 I CA -2.205 59.299 61.300 0.340 0.000 1.062 1411 I CB 2.209 40.172 38.000 -0.062 0.000 1.223 1411 I HN -0.026 nan 8.210 nan 0.000 0.435 1412 P HA 0.222 nan 4.420 nan 0.000 0.276 1412 P C -0.804 176.340 177.300 -0.261 0.000 1.261 1412 P CA -0.410 62.725 63.100 0.059 0.000 0.800 1412 P CB 1.000 32.868 31.700 0.279 0.000 1.066 1413 E N 0.466 120.589 120.200 -0.129 0.000 2.366 1413 E HA 0.243 4.593 4.350 -0.000 0.000 0.266 1413 E C -0.504 176.034 176.600 -0.103 0.000 1.051 1413 E CA 0.387 56.642 56.400 -0.241 0.000 0.884 1413 E CB 0.334 29.978 29.700 -0.093 0.000 1.006 1413 E HN 0.484 nan 8.360 nan 0.000 0.417 1414 W N 0.518 121.717 121.300 -0.169 0.000 3.372 1414 W HA 0.441 5.101 4.660 -0.000 0.000 0.315 1414 W C -0.982 175.233 176.519 -0.505 0.000 1.223 1414 W CA -1.079 56.062 57.345 -0.340 0.000 1.202 1414 W CB -0.076 29.056 29.460 -0.547 0.000 1.367 1414 W HN 0.448 nan 8.180 nan 0.000 0.531 1415 E N 1.202 121.245 120.200 -0.261 0.000 2.336 1415 E HA 0.774 5.124 4.350 -0.000 0.000 0.267 1415 E C -1.637 174.560 176.600 -0.670 0.000 0.906 1415 E CA -1.130 55.056 56.400 -0.358 0.000 0.781 1415 E CB 2.350 31.998 29.700 -0.086 0.000 1.261 1415 E HN 0.239 nan 8.360 nan 0.000 0.436 1416 F N 0.840 120.799 119.950 0.016 0.000 2.415 1416 F HA 0.436 4.963 4.527 -0.000 0.000 0.348 1416 F C -0.158 175.651 175.800 0.015 0.000 1.119 1416 F CA -0.781 57.202 58.000 -0.028 0.000 1.069 1416 F CB 1.634 40.619 39.000 -0.025 0.000 1.124 1416 F HN 0.192 nan 8.300 nan 0.000 0.472 1417 V N 2.367 122.358 119.914 0.129 0.000 3.019 1417 V HA 0.418 4.538 4.120 -0.000 0.000 0.317 1417 V C -0.489 175.675 176.094 0.116 0.000 1.094 1417 V CA -1.100 61.265 62.300 0.108 0.000 1.000 1417 V CB 2.274 34.140 31.823 0.072 0.000 1.060 1417 V HN 0.608 nan 8.190 nan 0.000 0.443 1418 N N 1.291 120.053 118.700 0.104 0.000 2.511 1418 N HA 0.290 5.030 4.740 -0.000 0.000 0.249 1418 N C -0.460 175.105 175.510 0.091 0.000 0.971 1418 N CA -0.223 52.885 53.050 0.096 0.000 0.938 1418 N CB 1.538 40.079 38.487 0.090 0.000 1.131 1418 N HN 0.683 nan 8.380 nan 0.000 0.505 1419 T N 3.359 117.964 114.554 0.085 0.000 2.831 1419 T HA 0.131 4.481 4.350 -0.000 0.000 0.291 1419 T C -1.830 172.922 174.700 0.086 0.000 0.981 1419 T CA -0.428 61.720 62.100 0.079 0.000 1.174 1419 T CB 0.321 69.227 68.868 0.062 0.000 0.929 1419 T HN 0.269 nan 8.240 nan 0.000 0.532 1420 P HA 0.272 nan 4.420 nan 0.000 0.275 1420 P C -2.345 175.037 177.300 0.137 0.000 1.266 1420 P CA -1.746 61.433 63.100 0.131 0.000 0.793 1420 P CB -0.115 31.692 31.700 0.178 0.000 1.074 1421 P HA 0.104 nan 4.420 nan 0.000 0.249 1421 P C 0.141 177.608 177.300 0.278 0.000 1.686 1421 P CA 0.375 63.579 63.100 0.173 0.000 0.873 1421 P CB -0.579 31.213 31.700 0.154 0.000 1.828 1422 L N -1.183 120.152 121.223 0.188 0.000 2.818 1422 L HA 0.171 4.511 4.340 -0.000 0.000 0.243 1422 L C 1.258 178.026 176.870 -0.170 0.000 1.185 1422 L CA 0.107 54.950 54.840 0.005 0.000 0.988 1422 L CB 0.146 42.237 42.059 0.053 0.000 1.292 1422 L HN -0.061 nan 8.230 nan 0.000 0.519 1423 V N -0.480 119.413 119.914 -0.034 0.000 2.788 1423 V HA -0.068 4.052 4.120 -0.000 0.000 0.251 1423 V C 2.229 178.355 176.094 0.053 0.000 1.068 1423 V CA 1.180 63.455 62.300 -0.042 0.000 1.090 1423 V CB -0.338 31.471 31.823 -0.022 0.000 0.710 1423 V HN 0.528 nan 8.190 nan 0.000 0.467 1424 K N 0.781 121.234 120.400 0.089 0.000 2.097 1424 K HA -0.053 4.267 4.320 -0.000 0.000 0.205 1424 K C 2.107 178.773 176.600 0.110 0.000 1.050 1424 K CA 1.593 57.982 56.287 0.170 0.000 0.938 1424 K CB -1.195 31.404 32.500 0.166 0.000 0.718 1424 K HN 0.512 nan 8.250 nan 0.000 0.442 1425 L N -0.412 120.687 121.223 -0.207 0.000 2.046 1425 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 1425 L C 0.240 176.977 176.870 -0.221 0.000 1.077 1425 L CA 1.913 56.412 54.840 -0.568 0.000 0.747 1425 L CB -0.374 40.690 42.059 -1.659 0.000 0.896 1425 L HN 0.379 nan 8.230 nan 0.000 0.432 1426 W N -3.136 117.912 121.300 -0.421 0.000 1.619 1426 W HA -0.270 4.390 4.660 -0.000 0.000 0.250 1426 W C -0.069 176.362 176.519 -0.147 0.000 1.014 1426 W CA 0.597 57.811 57.345 -0.218 0.000 0.427 1426 W CB -2.422 26.973 29.460 -0.108 0.000 2.027 1426 W HN 0.456 nan 8.180 nan 0.000 1.216 1427 Y N 0.000 120.264 120.300 -0.061 0.000 2.660 1427 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 1427 Y CA 0.000 58.029 58.100 -0.119 0.000 1.940 1427 Y CB 0.000 38.425 38.460 -0.059 0.000 1.050 1427 Y HN 0.000 nan 8.280 nan 0.000 0.758