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 1fp7_1_B DATA FIRST_RESID 1008 DATA SEQUENCE IEIAQAAKMK PVMELARGLG IQEDEVELYG KYKAKISLDV YRRLKDKPDG DATA SEQUENCE KLILVTAITP TPAGEGKTTT SVGLTDALAR LGKRVMVCLR EPSLGPSFGI DATA SEQUENCE KGGAAGGGYA QVVPMEDINL HFTGDIHAVT YAHNLLAAMV DNHLQQGNVL DATA SEQUENCE NIDPRTITWR RVIDLNDRAL RNIVIGLGGK ANGVPRETGF DISVASEVMA DATA SEQUENCE CLCLASDLMD LKERFSRIVV GYTYDGKPVT AGDLEAQGSM ALLMKDAIKP DATA SEQUENCE NLVQTLENTP AFIHGGPFAN IAHGCNSIIA TKTALKLADY VVTEAGFGAD DATA SEQUENCE LGAEKFYDVK CRYAGFKPDA TVIVATVRAL KMHGGVPKSD LATENLEALR DATA SEQUENCE EGFANLEKHI ENIGKFGVPA VVAINAFPTD TEAELNLLYE LCAKAGAEVA DATA SEQUENCE LSXXWAKGGE GGLELARKVL QTLESRPSNF HVLYNLDLSI KDKIAKIATE DATA SEQUENCE IYGADGVNYT AEADKAIQRY ESLGYGNLPV VMAKTQYSFS DDMTKLGRPR DATA SEQUENCE NFTITVREVR LSAGGRLIVP ITGAIMTMPG LPKRPAACNI DIDADGVITG 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 1008 I HA 0.000 nan 4.170 nan 0.000 0.288 1008 I C 0.000 176.084 176.117 -0.054 0.000 1.063 1008 I CA 0.000 61.291 61.300 -0.015 0.000 1.566 1008 I CB 0.000 37.993 38.000 -0.012 0.000 1.214 1009 E N 3.760 123.927 120.200 -0.054 0.000 2.511 1009 E HA 0.056 4.406 4.350 0.000 0.000 0.196 1009 E C 1.299 177.836 176.600 -0.105 0.000 1.066 1009 E CA 0.642 56.976 56.400 -0.109 0.000 0.871 1009 E CB 0.537 30.192 29.700 -0.075 0.000 0.863 1009 E HN 0.806 nan 8.360 nan 0.000 0.520 1010 I N -0.860 119.669 120.570 -0.068 0.000 3.462 1010 I HA 0.099 4.269 4.170 0.000 0.000 0.290 1010 I C 1.808 177.890 176.117 -0.058 0.000 1.236 1010 I CA 0.455 61.721 61.300 -0.057 0.000 1.418 1010 I CB 0.158 38.137 38.000 -0.035 0.000 1.102 1010 I HN 0.047 nan 8.210 nan 0.000 0.441 1011 A N 0.250 123.034 122.820 -0.061 0.000 2.239 1011 A HA -0.092 4.228 4.320 0.000 0.000 0.209 1011 A C 1.928 179.465 177.584 -0.079 0.000 1.171 1011 A CA 0.554 52.559 52.037 -0.053 0.000 0.768 1011 A CB -0.429 18.545 19.000 -0.043 0.000 0.790 1011 A HN 0.492 nan 8.150 nan 0.000 0.478 1012 Q N -0.156 119.571 119.800 -0.122 0.000 2.500 1012 Q HA 0.041 4.381 4.340 0.000 0.000 0.213 1012 Q C 0.884 176.818 176.000 -0.111 0.000 0.974 1012 Q CA 0.714 56.411 55.803 -0.176 0.000 0.918 1012 Q CB -0.513 28.069 28.738 -0.261 0.000 0.980 1012 Q HN 0.634 nan 8.270 nan 0.000 0.505 1013 A N 1.003 123.784 122.820 -0.065 0.000 2.496 1013 A HA 0.439 4.759 4.320 0.000 0.000 0.278 1013 A C -0.128 177.443 177.584 -0.021 0.000 1.137 1013 A CA 0.727 52.746 52.037 -0.030 0.000 0.805 1013 A CB -0.285 18.711 19.000 -0.007 0.000 1.077 1013 A HN 0.201 nan 8.150 nan 0.000 0.513 1014 A N 2.856 125.661 122.820 -0.024 0.000 2.585 1014 A HA 0.597 4.917 4.320 0.000 0.000 0.299 1014 A C -0.107 177.457 177.584 -0.033 0.000 1.047 1014 A CA -0.306 51.721 52.037 -0.017 0.000 0.723 1014 A CB 0.325 19.316 19.000 -0.014 0.000 1.275 1014 A HN 1.920 nan 8.150 nan 0.000 0.408 1015 K N 0.667 121.047 120.400 -0.035 0.000 5.617 1015 K HA -0.155 4.165 4.320 0.000 0.000 0.401 1015 K C -0.932 175.583 176.600 -0.142 0.000 0.978 1015 K CA 1.590 57.837 56.287 -0.067 0.000 1.200 1015 K CB -1.732 30.744 32.500 -0.040 0.000 1.863 1015 K HN 0.759 nan 8.250 nan 0.000 0.382 1016 M N 3.220 122.651 119.600 -0.282 0.000 2.578 1016 M HA 0.401 4.881 4.480 0.000 0.000 0.321 1016 M C 0.112 176.053 176.300 -0.598 0.000 1.182 1016 M CA -0.808 54.195 55.300 -0.495 0.000 0.965 1016 M CB 2.048 34.174 32.600 -0.791 0.000 1.694 1016 M HN 0.147 nan 8.290 nan 0.000 0.461 1017 K N 2.093 122.240 120.400 -0.422 0.000 2.265 1017 K HA 0.440 4.760 4.320 0.000 0.000 0.267 1017 K C -2.586 173.942 176.600 -0.120 0.000 0.994 1017 K CA -1.799 54.354 56.287 -0.223 0.000 0.860 1017 K CB 1.190 33.628 32.500 -0.104 0.000 1.099 1017 K HN 0.232 nan 8.250 nan 0.000 0.448 1018 P HA -0.159 nan 4.420 nan 0.000 0.257 1018 P C 0.936 178.323 177.300 0.145 0.000 1.144 1018 P CA 0.248 63.510 63.100 0.270 0.000 0.761 1018 P CB 0.385 32.204 31.700 0.197 0.000 0.734 1019 V N 3.973 123.995 119.914 0.180 0.000 2.490 1019 V HA -0.249 3.871 4.120 0.000 0.000 0.250 1019 V C 2.234 178.373 176.094 0.076 0.000 1.061 1019 V CA 1.581 63.944 62.300 0.107 0.000 1.064 1019 V CB -0.899 30.997 31.823 0.121 0.000 0.670 1019 V HN 0.626 nan 8.190 nan 0.000 0.461 1020 M N -0.059 119.590 119.600 0.081 0.000 2.144 1020 M HA -0.199 4.281 4.480 0.000 0.000 0.260 1020 M C 2.112 178.435 176.300 0.039 0.000 1.067 1020 M CA 1.844 57.177 55.300 0.055 0.000 1.095 1020 M CB -0.853 31.776 32.600 0.049 0.000 1.365 1020 M HN 0.566 nan 8.290 nan 0.000 0.406 1021 E N -0.095 120.130 120.200 0.041 0.000 2.016 1021 E HA -0.171 4.179 4.350 0.000 0.000 0.190 1021 E C 2.122 178.728 176.600 0.009 0.000 0.985 1021 E CA 1.128 57.542 56.400 0.024 0.000 0.802 1021 E CB -0.198 29.517 29.700 0.025 0.000 0.762 1021 E HN 0.554 nan 8.360 nan 0.000 0.448 1022 L N 0.886 122.113 121.223 0.007 0.000 2.051 1022 L HA -0.253 4.087 4.340 0.000 0.000 0.214 1022 L C 2.823 179.680 176.870 -0.020 0.000 1.076 1022 L CA 1.470 56.303 54.840 -0.013 0.000 0.758 1022 L CB -0.793 41.257 42.059 -0.014 0.000 0.890 1022 L HN 0.210 nan 8.230 nan 0.000 0.433 1023 A N 0.104 122.921 122.820 -0.005 0.000 1.940 1023 A HA -0.222 4.098 4.320 0.000 0.000 0.219 1023 A C 2.422 180.000 177.584 -0.010 0.000 1.176 1023 A CA 1.791 53.824 52.037 -0.007 0.000 0.631 1023 A CB -0.486 18.526 19.000 0.020 0.000 0.814 1023 A HN 0.375 nan 8.150 nan 0.000 0.446 1024 R N -0.986 119.512 120.500 -0.004 0.000 2.073 1024 R HA -0.036 4.304 4.340 0.000 0.000 0.229 1024 R C 1.777 178.067 176.300 -0.016 0.000 1.120 1024 R CA 0.863 56.960 56.100 -0.006 0.000 0.967 1024 R CB -0.450 29.850 30.300 0.000 0.000 0.862 1024 R HN 0.463 nan 8.270 nan 0.000 0.436 1025 G N 0.192 108.980 108.800 -0.019 0.000 3.397 1025 G HA2 0.185 4.145 3.960 0.000 0.000 0.248 1025 G HA3 0.185 4.145 3.960 0.000 0.000 0.248 1025 G C 0.455 175.330 174.900 -0.042 0.000 1.284 1025 G CA 0.002 45.086 45.100 -0.027 0.000 1.570 1025 G HN 0.176 nan 8.290 nan 0.000 0.587 1026 L N -1.715 119.482 121.223 -0.044 0.000 4.478 1026 L HA 0.365 4.705 4.340 0.000 0.000 0.444 1026 L C 0.865 177.706 176.870 -0.048 0.000 1.013 1026 L CA 1.145 55.949 54.840 -0.061 0.000 1.688 1026 L CB 0.164 42.173 42.059 -0.084 0.000 1.834 1026 L HN 0.479 nan 8.230 nan 0.000 0.629 1027 G N 1.908 110.688 108.800 -0.033 0.000 2.734 1027 G HA2 -0.157 3.804 3.960 0.000 0.000 0.277 1027 G HA3 -0.157 3.804 3.960 0.000 0.000 0.277 1027 G C -0.523 174.369 174.900 -0.015 0.000 1.099 1027 G CA 0.185 45.271 45.100 -0.024 0.000 1.218 1027 G HN 0.239 nan 8.290 nan 0.000 0.554 1028 I N 0.962 121.528 120.570 -0.006 0.000 2.478 1028 I HA 0.246 4.416 4.170 0.000 0.000 0.287 1028 I C 0.591 176.713 176.117 0.009 0.000 1.042 1028 I CA -0.893 60.410 61.300 0.006 0.000 1.067 1028 I CB 1.834 39.843 38.000 0.014 0.000 1.233 1028 I HN 0.285 nan 8.210 nan 0.000 0.431 1029 Q N 4.936 124.742 119.800 0.010 0.000 2.262 1029 Q HA -0.077 4.263 4.340 0.000 0.000 0.298 1029 Q C 1.189 177.198 176.000 0.015 0.000 1.083 1029 Q CA 0.379 56.188 55.803 0.010 0.000 0.962 1029 Q CB 1.071 29.815 28.738 0.009 0.000 1.104 1029 Q HN 0.655 nan 8.270 nan 0.000 0.376 1030 E N 3.238 123.446 120.200 0.012 0.000 2.086 1030 E HA -0.323 4.027 4.350 0.000 0.000 0.205 1030 E C 0.949 177.560 176.600 0.018 0.000 1.027 1030 E CA 2.026 58.435 56.400 0.016 0.000 0.830 1030 E CB 0.082 29.788 29.700 0.011 0.000 0.751 1030 E HN 0.796 nan 8.360 nan 0.000 0.456 1031 D N 0.357 120.765 120.400 0.013 0.000 2.357 1031 D HA -0.202 4.438 4.640 0.000 0.000 0.216 1031 D C 0.127 176.439 176.300 0.020 0.000 0.973 1031 D CA 1.000 55.008 54.000 0.013 0.000 0.912 1031 D CB -0.459 40.346 40.800 0.009 0.000 0.900 1031 D HN 0.410 nan 8.370 nan 0.000 0.501 1032 E N -0.099 120.116 120.200 0.025 0.000 3.012 1032 E HA 0.436 4.786 4.350 0.000 0.000 0.228 1032 E C -1.030 175.597 176.600 0.045 0.000 1.184 1032 E CA -0.387 56.034 56.400 0.035 0.000 1.407 1032 E CB 1.002 30.724 29.700 0.036 0.000 1.438 1032 E HN -0.054 nan 8.360 nan 0.000 0.435 1033 V N 1.345 121.286 119.914 0.045 0.000 2.839 1033 V HA 0.090 4.210 4.120 0.000 0.000 0.284 1033 V C -1.043 175.084 176.094 0.056 0.000 1.397 1033 V CA -0.792 61.543 62.300 0.059 0.000 0.938 1033 V CB 2.294 34.151 31.823 0.055 0.000 1.112 1033 V HN 0.305 nan 8.190 nan 0.000 0.443 1034 E N 4.135 124.385 120.200 0.083 0.000 2.183 1034 E HA 0.761 5.111 4.350 0.000 0.000 0.271 1034 E C -1.080 175.600 176.600 0.132 0.000 0.919 1034 E CA -0.514 55.932 56.400 0.076 0.000 0.781 1034 E CB 1.528 31.284 29.700 0.094 0.000 1.140 1034 E HN 0.609 nan 8.360 nan 0.000 0.402 1035 L N 3.181 124.435 121.223 0.052 0.000 2.416 1035 L HA 0.444 4.784 4.340 0.000 0.000 0.263 1035 L C -0.698 176.204 176.870 0.053 0.000 1.065 1035 L CA -0.952 53.950 54.840 0.104 0.000 0.798 1035 L CB 0.698 42.774 42.059 0.028 0.000 1.267 1035 L HN 0.718 nan 8.230 nan 0.000 0.467 1036 Y N -0.055 120.210 120.300 -0.057 0.000 2.580 1036 Y HA 0.474 5.024 4.550 -0.000 0.000 0.305 1036 Y C 0.472 176.326 175.900 -0.076 0.000 1.069 1036 Y CA -0.129 57.927 58.100 -0.073 0.000 1.193 1036 Y CB 1.068 39.461 38.460 -0.111 0.000 1.126 1036 Y HN 0.808 nan 8.280 nan 0.000 0.610 1037 G N 0.933 109.742 108.800 0.015 0.000 2.710 1037 G HA2 -0.189 3.771 3.960 0.000 0.000 0.668 1037 G HA3 -0.189 3.771 3.960 0.000 0.000 0.668 1037 G C 0.443 175.298 174.900 -0.075 0.000 1.320 1037 G CA -0.706 44.362 45.100 -0.054 0.000 0.860 1037 G HN 0.112 nan 8.290 nan 0.000 0.538 1038 K N -0.541 119.725 120.400 -0.223 0.000 2.228 1038 K HA 0.052 4.372 4.320 0.000 0.000 0.202 1038 K C 1.198 177.823 176.600 0.041 0.000 1.051 1038 K CA 1.521 57.679 56.287 -0.214 0.000 0.960 1038 K CB 0.022 32.241 32.500 -0.467 0.000 0.743 1038 K HN 0.659 nan 8.250 nan 0.000 0.458 1039 Y N 0.859 121.176 120.300 0.028 0.000 2.781 1039 Y HA 0.303 4.853 4.550 -0.000 0.000 0.326 1039 Y C -0.302 175.610 175.900 0.020 0.000 1.019 1039 Y CA -0.817 57.299 58.100 0.027 0.000 1.372 1039 Y CB 0.458 38.935 38.460 0.028 0.000 1.260 1039 Y HN -0.272 nan 8.280 nan 0.000 0.546 1040 K N 1.329 121.811 120.400 0.137 0.000 2.583 1040 K HA 0.726 5.046 4.320 0.000 0.000 0.260 1040 K C -1.593 175.032 176.600 0.043 0.000 0.931 1040 K CA -0.710 55.590 56.287 0.022 0.000 0.849 1040 K CB 2.254 34.692 32.500 -0.105 0.000 1.347 1040 K HN 0.107 nan 8.250 nan 0.000 0.425 1041 A N 2.640 125.467 122.820 0.012 0.000 2.532 1041 A HA 0.397 4.717 4.320 0.000 0.000 0.296 1041 A C -1.478 176.139 177.584 0.055 0.000 1.058 1041 A CA -0.882 51.206 52.037 0.086 0.000 0.729 1041 A CB 1.174 20.240 19.000 0.109 0.000 1.285 1041 A HN 0.489 nan 8.150 nan 0.000 0.396 1042 K N 2.055 122.507 120.400 0.087 0.000 2.276 1042 K HA 0.489 4.809 4.320 0.000 0.000 0.283 1042 K C -0.714 175.933 176.600 0.078 0.000 1.044 1042 K CA 0.078 56.394 56.287 0.049 0.000 0.944 1042 K CB 0.890 33.448 32.500 0.097 0.000 1.012 1042 K HN 0.617 nan 8.250 nan 0.000 0.472 1043 I N 1.127 121.733 120.570 0.060 0.000 2.412 1043 I HA 0.095 4.265 4.170 0.000 0.000 0.296 1043 I C 0.672 176.812 176.117 0.040 0.000 0.987 1043 I CA -0.523 60.828 61.300 0.085 0.000 1.180 1043 I CB 1.844 39.951 38.000 0.178 0.000 1.340 1043 I HN 0.461 nan 8.210 nan 0.000 0.455 1044 S N 3.559 119.289 115.700 0.050 0.000 2.601 1044 S HA 0.285 4.755 4.470 0.000 0.000 0.271 1044 S C 0.948 175.576 174.600 0.048 0.000 1.305 1044 S CA -0.550 57.672 58.200 0.037 0.000 1.022 1044 S CB 0.754 63.978 63.200 0.039 0.000 0.940 1044 S HN 0.480 nan 8.310 nan 0.000 0.525 1045 L N 2.993 124.239 121.223 0.038 0.000 2.549 1045 L HA -0.002 4.338 4.340 0.000 0.000 0.230 1045 L C 1.759 178.694 176.870 0.107 0.000 1.162 1045 L CA 1.235 56.114 54.840 0.066 0.000 0.834 1045 L CB -0.495 41.589 42.059 0.042 0.000 0.947 1045 L HN 0.626 nan 8.230 nan 0.000 0.452 1046 D N -1.080 119.366 120.400 0.076 0.000 2.317 1046 D HA -0.063 4.577 4.640 0.000 0.000 0.211 1046 D C 2.238 178.576 176.300 0.063 0.000 0.966 1046 D CA 0.718 54.755 54.000 0.062 0.000 0.876 1046 D CB 0.277 41.101 40.800 0.039 0.000 0.927 1046 D HN 0.212 nan 8.370 nan 0.000 0.519 1047 V N 1.232 121.198 119.914 0.086 0.000 2.216 1047 V HA -0.297 3.823 4.120 0.000 0.000 0.243 1047 V C 2.263 178.415 176.094 0.096 0.000 1.044 1047 V CA 1.620 63.971 62.300 0.085 0.000 0.995 1047 V CB -0.884 31.007 31.823 0.114 0.000 0.633 1047 V HN 0.132 nan 8.190 nan 0.000 0.446 1048 Y N 1.322 121.646 120.300 0.040 0.000 1.993 1048 Y HA -0.309 4.241 4.550 0.000 0.000 0.267 1048 Y C 2.833 178.748 175.900 0.026 0.000 1.155 1048 Y CA 2.472 60.596 58.100 0.039 0.000 1.105 1048 Y CB -0.553 37.935 38.460 0.047 0.000 0.960 1048 Y HN -0.028 nan 8.280 nan 0.000 0.486 1049 R N 1.246 121.764 120.500 0.030 0.000 2.204 1049 R HA -0.244 4.096 4.340 0.000 0.000 0.253 1049 R C 2.167 178.382 176.300 -0.142 0.000 1.172 1049 R CA 2.248 58.295 56.100 -0.089 0.000 0.994 1049 R CB -0.528 29.816 30.300 0.074 0.000 0.874 1049 R HN 0.703 nan 8.270 nan 0.000 0.462 1050 R N -0.830 119.616 120.500 -0.091 0.000 2.210 1050 R HA 0.096 4.436 4.340 0.000 0.000 0.203 1050 R C 1.267 177.504 176.300 -0.106 0.000 1.010 1050 R CA 0.750 56.804 56.100 -0.076 0.000 1.008 1050 R CB -0.072 30.209 30.300 -0.032 0.000 0.923 1050 R HN 0.144 nan 8.270 nan 0.000 0.469 1051 L N 1.268 122.401 121.223 -0.151 0.000 3.094 1051 L HA 0.339 4.679 4.340 0.000 0.000 0.254 1051 L C 1.318 178.032 176.870 -0.260 0.000 1.298 1051 L CA -0.342 54.410 54.840 -0.147 0.000 1.050 1051 L CB 0.372 42.379 42.059 -0.087 0.000 1.420 1051 L HN 0.212 nan 8.230 nan 0.000 0.548 1052 K N 0.833 121.027 120.400 -0.342 0.000 2.034 1052 K HA -0.218 4.102 4.320 0.000 0.000 0.214 1052 K C 1.056 177.515 176.600 -0.234 0.000 1.051 1052 K CA 2.152 58.172 56.287 -0.445 0.000 0.931 1052 K CB 0.295 32.612 32.500 -0.306 0.000 0.715 1052 K HN 0.317 nan 8.250 nan 0.000 0.446 1053 D N 0.356 120.676 120.400 -0.133 0.000 2.346 1053 D HA -0.023 4.617 4.640 0.000 0.000 0.206 1053 D C 0.249 176.520 176.300 -0.049 0.000 1.001 1053 D CA 0.345 54.304 54.000 -0.068 0.000 0.871 1053 D CB 0.136 40.908 40.800 -0.048 0.000 0.943 1053 D HN 0.091 nan 8.370 nan 0.000 0.518 1054 K N 1.949 122.312 120.400 -0.061 0.000 2.393 1054 K HA 0.026 4.346 4.320 0.000 0.000 0.264 1054 K C -2.061 174.522 176.600 -0.028 0.000 0.979 1054 K CA -0.667 55.594 56.287 -0.043 0.000 0.893 1054 K CB -0.782 31.689 32.500 -0.049 0.000 0.967 1054 K HN 0.104 nan 8.250 nan 0.000 0.521 1055 P HA 0.068 nan 4.420 nan 0.000 0.276 1055 P C -0.170 177.118 177.300 -0.021 0.000 1.230 1055 P CA -0.068 63.022 63.100 -0.017 0.000 0.776 1055 P CB 0.832 32.520 31.700 -0.020 0.000 0.888 1056 D N 1.552 121.944 120.400 -0.013 0.000 1.825 1056 D HA 0.234 4.874 4.640 0.000 0.000 0.312 1056 D C 1.127 177.402 176.300 -0.041 0.000 1.066 1056 D CA 0.863 54.847 54.000 -0.027 0.000 0.826 1056 D CB -0.046 40.730 40.800 -0.041 0.000 1.144 1056 D HN 0.619 nan 8.370 nan 0.000 0.392 1057 G N -1.032 107.746 108.800 -0.037 0.000 2.364 1057 G HA2 0.283 4.243 3.960 0.000 0.000 0.286 1057 G HA3 0.283 4.243 3.960 0.000 0.000 0.286 1057 G C -1.594 173.331 174.900 0.042 0.000 1.241 1057 G CA -0.558 44.539 45.100 -0.006 0.000 0.887 1057 G HN 0.068 nan 8.290 nan 0.000 0.484 1058 K N 0.434 120.918 120.400 0.140 0.000 2.185 1058 K HA 0.636 4.956 4.320 0.000 0.000 0.269 1058 K C -0.987 175.664 176.600 0.085 0.000 0.987 1058 K CA -0.821 55.546 56.287 0.133 0.000 0.865 1058 K CB 2.203 34.821 32.500 0.197 0.000 1.090 1058 K HN 0.337 nan 8.250 nan 0.000 0.450 1059 L N 3.822 125.070 121.223 0.041 0.000 2.307 1059 L HA 0.418 4.758 4.340 0.000 0.000 0.282 1059 L C -0.052 176.841 176.870 0.038 0.000 1.051 1059 L CA -0.466 54.396 54.840 0.036 0.000 0.804 1059 L CB 0.413 42.496 42.059 0.041 0.000 1.197 1059 L HN 0.607 nan 8.230 nan 0.000 0.431 1060 I N 5.778 126.365 120.570 0.027 0.000 2.979 1060 I HA 0.144 4.314 4.170 0.000 0.000 0.337 1060 I C -0.293 175.798 176.117 -0.043 0.000 1.453 1060 I CA -0.714 60.581 61.300 -0.008 0.000 0.891 1060 I CB 0.625 38.619 38.000 -0.011 0.000 1.887 1060 I HN 0.364 nan 8.210 nan 0.000 0.546 1061 L N 2.868 124.033 121.223 -0.096 0.000 2.780 1061 L HA -0.008 4.332 4.340 0.000 0.000 0.275 1061 L C 0.148 176.886 176.870 -0.220 0.000 1.153 1061 L CA 0.803 55.496 54.840 -0.245 0.000 0.993 1061 L CB 0.448 42.060 42.059 -0.744 0.000 1.319 1061 L HN 0.256 nan 8.230 nan 0.000 0.479 1062 V N 6.920 126.747 119.914 -0.144 0.000 2.322 1062 V HA 0.283 4.403 4.120 0.000 0.000 0.258 1062 V C 0.676 176.688 176.094 -0.137 0.000 1.074 1062 V CA 0.307 62.539 62.300 -0.114 0.000 0.909 1062 V CB 0.630 32.416 31.823 -0.061 0.000 1.090 1062 V HN 1.053 nan 8.190 nan 0.000 0.486 1063 T N 5.101 119.556 114.554 -0.164 0.000 2.914 1063 T HA 0.877 5.227 4.350 0.000 0.000 0.313 1063 T C 0.130 174.750 174.700 -0.133 0.000 1.137 1063 T CA 0.339 62.337 62.100 -0.169 0.000 0.946 1063 T CB 1.406 70.153 68.868 -0.202 0.000 1.558 1063 T HN 1.239 nan 8.240 nan 0.000 0.565 1064 A N -0.718 122.005 122.820 -0.161 0.000 2.515 1064 A HA 0.675 4.995 4.320 0.000 0.000 0.299 1064 A C 0.446 177.884 177.584 -0.243 0.000 1.179 1064 A CA -0.548 51.400 52.037 -0.148 0.000 0.656 1064 A CB -0.104 18.831 19.000 -0.109 0.000 1.306 1064 A HN 0.857 nan 8.150 nan 0.000 0.459 1065 I N -1.437 119.033 120.570 -0.167 0.000 1.914 1065 I HA 0.210 4.380 4.170 0.000 0.000 0.144 1065 I C 0.309 176.282 176.117 -0.241 0.000 1.450 1065 I CA 0.350 61.562 61.300 -0.147 0.000 0.701 1065 I CB -0.633 37.340 38.000 -0.045 0.000 1.823 1065 I HN 0.402 nan 8.210 nan 0.000 1.087 1066 T N 2.558 117.069 114.554 -0.072 0.000 2.864 1066 T HA 0.350 4.700 4.350 0.000 0.000 0.310 1066 T C -2.446 172.200 174.700 -0.089 0.000 1.040 1066 T CA -0.917 61.121 62.100 -0.103 0.000 0.977 1066 T CB 1.034 69.795 68.868 -0.178 0.000 0.976 1066 T HN 0.429 nan 8.240 nan 0.000 0.459 1067 P HA -0.024 nan 4.420 nan 0.000 0.270 1067 P C -0.197 176.983 177.300 -0.201 0.000 1.181 1067 P CA 0.444 63.384 63.100 -0.266 0.000 0.767 1067 P CB 0.365 31.762 31.700 -0.503 0.000 0.799 1068 T N -2.835 111.657 114.554 -0.104 0.000 2.769 1068 T HA 0.461 4.811 4.350 0.000 0.000 0.306 1068 T C -2.438 172.268 174.700 0.010 0.000 1.400 1068 T CA -1.141 60.953 62.100 -0.010 0.000 1.007 1068 T CB 1.297 70.128 68.868 -0.061 0.000 1.392 1068 T HN 0.233 nan 8.240 nan 0.000 0.500 1069 P HA 0.279 nan 4.420 nan 0.000 0.253 1069 P C 1.077 178.345 177.300 -0.052 0.000 1.260 1069 P CA 0.112 63.211 63.100 -0.001 0.000 0.800 1069 P CB -0.229 31.469 31.700 -0.005 0.000 1.162 1070 A N 0.221 122.995 122.820 -0.077 0.000 1.984 1070 A HA 0.487 4.807 4.320 0.000 0.000 0.214 1070 A C 1.146 178.632 177.584 -0.164 0.000 1.173 1070 A CA 0.976 52.938 52.037 -0.125 0.000 0.673 1070 A CB -0.633 18.293 19.000 -0.124 0.000 0.830 1070 A HN 0.336 nan 8.150 nan 0.000 0.453 1071 G N 0.178 108.903 108.800 -0.124 0.000 2.952 1071 G HA2 0.284 4.245 3.960 0.000 0.000 0.431 1071 G HA3 0.284 4.245 3.960 0.000 0.000 0.431 1071 G C -0.289 174.549 174.900 -0.103 0.000 1.325 1071 G CA 0.105 45.126 45.100 -0.132 0.000 1.146 1071 G HN 0.343 nan 8.290 nan 0.000 0.581 1072 E N 2.045 122.200 120.200 -0.074 0.000 2.040 1072 E HA 0.568 4.918 4.350 0.000 0.000 0.205 1072 E C 1.719 178.291 176.600 -0.046 0.000 0.936 1072 E CA 1.213 57.577 56.400 -0.060 0.000 0.900 1072 E CB -0.315 29.347 29.700 -0.064 0.000 0.889 1072 E HN 2.124 nan 8.360 nan 0.000 0.503 1073 G N -0.303 108.477 108.800 -0.033 0.000 2.148 1073 G HA2 -0.195 3.765 3.960 0.000 0.000 0.120 1073 G HA3 -0.195 3.765 3.960 0.000 0.000 0.120 1073 G C 0.739 175.631 174.900 -0.012 0.000 1.034 1073 G CA 0.168 45.263 45.100 -0.008 0.000 0.710 1073 G HN 0.197 nan 8.290 nan 0.000 0.495 1074 K N -0.147 120.233 120.400 -0.034 0.000 2.089 1074 K HA -0.157 4.163 4.320 0.000 0.000 0.210 1074 K C 2.404 178.982 176.600 -0.036 0.000 1.048 1074 K CA 2.346 58.603 56.287 -0.050 0.000 0.926 1074 K CB -0.108 32.350 32.500 -0.070 0.000 0.714 1074 K HN 0.471 nan 8.250 nan 0.000 0.448 1075 T N -0.424 114.118 114.554 -0.020 0.000 2.824 1075 T HA -0.060 4.290 4.350 0.000 0.000 0.238 1075 T C 1.742 176.455 174.700 0.021 0.000 1.067 1075 T CA 1.341 63.436 62.100 -0.008 0.000 1.286 1075 T CB -0.767 68.094 68.868 -0.011 0.000 0.980 1075 T HN 0.226 nan 8.240 nan 0.000 0.414 1076 T N 2.643 117.228 114.554 0.052 0.000 2.442 1076 T HA -0.280 4.070 4.350 0.000 0.000 0.237 1076 T C 2.047 176.791 174.700 0.074 0.000 1.361 1076 T CA 2.479 64.632 62.100 0.088 0.000 1.127 1076 T CB -1.553 67.414 68.868 0.166 0.000 0.845 1076 T HN 0.419 nan 8.240 nan 0.000 0.433 1077 T N 1.602 116.200 114.554 0.073 0.000 2.882 1077 T HA -0.156 4.194 4.350 0.000 0.000 0.268 1077 T C 2.185 176.903 174.700 0.031 0.000 1.104 1077 T CA 1.490 63.623 62.100 0.055 0.000 1.118 1077 T CB -0.473 68.418 68.868 0.039 0.000 0.831 1077 T HN 0.474 nan 8.240 nan 0.000 0.529 1078 S N 0.156 115.869 115.700 0.022 0.000 2.406 1078 S HA 0.031 4.501 4.470 0.000 0.000 0.224 1078 S C 2.241 176.854 174.600 0.022 0.000 1.030 1078 S CA 0.400 58.606 58.200 0.011 0.000 0.958 1078 S CB -0.086 63.114 63.200 -0.000 0.000 0.811 1078 S HN 0.349 nan 8.310 nan 0.000 0.489 1079 V N 1.914 121.846 119.914 0.031 0.000 2.379 1079 V HA 0.020 4.140 4.120 0.000 0.000 0.243 1079 V C 2.702 178.819 176.094 0.039 0.000 1.035 1079 V CA 1.679 64.000 62.300 0.034 0.000 1.035 1079 V CB -1.537 30.307 31.823 0.036 0.000 0.673 1079 V HN 0.546 nan 8.190 nan 0.000 0.457 1080 G N 0.244 109.075 108.800 0.050 0.000 2.517 1080 G HA2 -0.279 3.681 3.960 0.000 0.000 0.222 1080 G HA3 -0.279 3.681 3.960 0.000 0.000 0.222 1080 G C 1.485 176.406 174.900 0.035 0.000 1.109 1080 G CA 1.157 46.289 45.100 0.052 0.000 0.746 1080 G HN 0.465 nan 8.290 nan 0.000 0.576 1081 L N 0.491 121.731 121.223 0.028 0.000 2.610 1081 L HA 0.266 4.606 4.340 0.000 0.000 0.232 1081 L C 2.208 179.088 176.870 0.017 0.000 1.149 1081 L CA 1.449 56.298 54.840 0.015 0.000 0.872 1081 L CB 0.026 42.089 42.059 0.006 0.000 0.992 1081 L HN 0.083 nan 8.230 nan 0.000 0.447 1082 T N -2.040 112.529 114.554 0.025 0.000 3.056 1082 T HA 0.061 4.411 4.350 0.000 0.000 0.241 1082 T C 1.052 175.768 174.700 0.027 0.000 1.006 1082 T CA 0.550 62.668 62.100 0.030 0.000 1.115 1082 T CB 0.083 68.969 68.868 0.031 0.000 0.939 1082 T HN 0.184 nan 8.240 nan 0.000 0.462 1083 D N 1.694 122.109 120.400 0.025 0.000 2.371 1083 D HA 0.204 4.844 4.640 0.000 0.000 0.221 1083 D C 1.743 178.053 176.300 0.016 0.000 0.986 1083 D CA 0.425 54.438 54.000 0.021 0.000 0.899 1083 D CB 0.022 40.839 40.800 0.027 0.000 0.902 1083 D HN 0.426 nan 8.370 nan 0.000 0.530 1084 A N 0.112 122.941 122.820 0.016 0.000 1.944 1084 A HA 0.155 4.475 4.320 0.000 0.000 0.209 1084 A C 1.985 179.575 177.584 0.010 0.000 1.328 1084 A CA -0.112 51.930 52.037 0.009 0.000 0.693 1084 A CB -0.677 18.327 19.000 0.008 0.000 0.994 1084 A HN 0.172 nan 8.150 nan 0.000 0.485 1085 L N 0.125 121.355 121.223 0.012 0.000 1.944 1085 L HA -0.237 4.103 4.340 0.000 0.000 0.218 1085 L C 2.781 179.682 176.870 0.051 0.000 1.075 1085 L CA 2.044 56.894 54.840 0.017 0.000 0.767 1085 L CB -0.426 41.645 42.059 0.022 0.000 0.890 1085 L HN 0.389 nan 8.230 nan 0.000 0.434 1086 A N -0.437 122.421 122.820 0.063 0.000 2.024 1086 A HA -0.268 4.052 4.320 0.000 0.000 0.220 1086 A C 2.238 179.843 177.584 0.036 0.000 1.164 1086 A CA 1.595 53.669 52.037 0.061 0.000 0.643 1086 A CB -0.718 18.306 19.000 0.040 0.000 0.806 1086 A HN 0.556 nan 8.150 nan 0.000 0.451 1087 R N -0.440 120.074 120.500 0.024 0.000 2.421 1087 R HA 0.008 4.348 4.340 0.000 0.000 0.208 1087 R C -0.468 175.840 176.300 0.013 0.000 1.103 1087 R CA 0.597 56.705 56.100 0.012 0.000 1.065 1087 R CB -0.404 29.900 30.300 0.006 0.000 0.839 1087 R HN 0.506 nan 8.270 nan 0.000 0.480 1088 L N -0.132 121.106 121.223 0.024 0.000 2.725 1088 L HA 0.338 4.678 4.340 0.000 0.000 0.270 1088 L C 0.258 177.150 176.870 0.038 0.000 1.422 1088 L CA -0.532 54.322 54.840 0.024 0.000 0.770 1088 L CB 1.266 43.338 42.059 0.021 0.000 1.081 1088 L HN 0.148 nan 8.230 nan 0.000 0.527 1089 G N 1.276 110.093 108.800 0.028 0.000 2.357 1089 G HA2 -0.243 3.717 3.960 0.000 0.000 0.282 1089 G HA3 -0.243 3.717 3.960 0.000 0.000 0.282 1089 G C -0.064 174.865 174.900 0.048 0.000 0.910 1089 G CA 0.431 45.547 45.100 0.026 0.000 1.267 1089 G HN 0.320 nan 8.290 nan 0.000 0.476 1090 K N 0.168 120.608 120.400 0.067 0.000 2.443 1090 K HA 0.347 4.667 4.320 0.000 0.000 0.252 1090 K C 0.256 176.862 176.600 0.009 0.000 0.933 1090 K CA -1.081 55.277 56.287 0.118 0.000 0.792 1090 K CB 1.812 34.521 32.500 0.349 0.000 1.185 1090 K HN 0.338 nan 8.250 nan 0.000 0.425 1091 R N 1.814 122.220 120.500 -0.157 0.000 2.351 1091 R HA 0.257 4.597 4.340 0.000 0.000 0.321 1091 R C -0.533 175.641 176.300 -0.210 0.000 1.182 1091 R CA -0.061 55.925 56.100 -0.191 0.000 1.011 1091 R CB 0.187 30.345 30.300 -0.237 0.000 1.048 1091 R HN 0.298 nan 8.270 nan 0.000 0.490 1092 V N 4.715 124.594 119.914 -0.059 0.000 3.114 1092 V HA 0.551 4.671 4.120 0.000 0.000 0.308 1092 V C -0.923 175.162 176.094 -0.015 0.000 1.168 1092 V CA -0.723 61.587 62.300 0.016 0.000 1.015 1092 V CB 2.592 34.518 31.823 0.172 0.000 1.050 1092 V HN 0.700 nan 8.190 nan 0.000 0.433 1093 M N 3.393 122.987 119.600 -0.010 0.000 2.812 1093 M HA 0.730 5.210 4.480 0.000 0.000 0.285 1093 M C -1.531 174.781 176.300 0.020 0.000 1.216 1093 M CA -0.986 54.292 55.300 -0.036 0.000 0.749 1093 M CB 2.397 34.923 32.600 -0.124 0.000 1.756 1093 M HN 0.461 nan 8.290 nan 0.000 0.439 1094 V N -0.975 118.962 119.914 0.038 0.000 2.524 1094 V HA 0.431 4.551 4.120 0.000 0.000 0.297 1094 V C -1.171 175.008 176.094 0.141 0.000 1.035 1094 V CA -0.813 61.532 62.300 0.075 0.000 0.867 1094 V CB 1.003 32.861 31.823 0.059 0.000 1.004 1094 V HN 0.898 nan 8.190 nan 0.000 0.426 1095 C N 6.669 126.058 119.300 0.147 0.000 2.203 1095 C HA 0.712 5.172 4.460 0.000 0.000 0.325 1095 C C 0.511 175.561 174.990 0.100 0.000 1.156 1095 C CA -0.324 58.804 59.018 0.183 0.000 1.597 1095 C CB -1.127 26.727 27.740 0.189 0.000 2.148 1095 C HN 0.852 nan 8.230 nan 0.000 0.472 1096 L N 2.804 124.076 121.223 0.081 0.000 2.464 1096 L HA 0.706 5.046 4.340 0.000 0.000 0.264 1096 L C 0.150 177.002 176.870 -0.031 0.000 1.062 1096 L CA -1.092 53.757 54.840 0.014 0.000 0.935 1096 L CB 0.737 42.799 42.059 0.005 0.000 1.603 1096 L HN 0.447 nan 8.230 nan 0.000 0.528 1097 R N 0.034 120.487 120.500 -0.078 0.000 2.670 1097 R HA 0.350 4.690 4.340 0.000 0.000 0.289 1097 R C -0.990 175.211 176.300 -0.165 0.000 0.965 1097 R CA -0.763 55.264 56.100 -0.122 0.000 0.899 1097 R CB 2.128 32.346 30.300 -0.136 0.000 1.173 1097 R HN 0.428 nan 8.270 nan 0.000 0.456 1098 E N 4.535 124.613 120.200 -0.205 0.000 2.194 1098 E HA 0.174 4.524 4.350 0.000 0.000 0.284 1098 E C -1.929 174.549 176.600 -0.204 0.000 1.035 1098 E CA -1.922 54.305 56.400 -0.287 0.000 0.836 1098 E CB 0.960 30.443 29.700 -0.361 0.000 1.070 1098 E HN 0.301 nan 8.360 nan 0.000 0.401 1099 P HA -0.020 nan 4.420 nan 0.000 0.276 1099 P C -0.243 177.001 177.300 -0.093 0.000 1.230 1099 P CA -0.258 62.764 63.100 -0.131 0.000 0.776 1099 P CB 1.308 32.933 31.700 -0.126 0.000 0.888 1100 S N 2.010 117.683 115.700 -0.044 0.000 2.566 1100 S HA -0.045 4.425 4.470 0.000 0.000 0.280 1100 S C 1.245 175.853 174.600 0.013 0.000 1.343 1100 S CA -0.553 57.651 58.200 0.006 0.000 1.036 1100 S CB -0.109 63.123 63.200 0.052 0.000 0.866 1100 S HN 0.454 nan 8.310 nan 0.000 0.526 1101 L N 6.027 127.283 121.223 0.055 0.000 2.007 1101 L HA 0.235 4.575 4.340 0.000 0.000 0.205 1101 L C 2.436 179.403 176.870 0.162 0.000 1.073 1101 L CA 2.558 57.456 54.840 0.096 0.000 0.744 1101 L CB -1.659 40.486 42.059 0.144 0.000 0.898 1101 L HN 0.942 nan 8.230 nan 0.000 0.435 1102 G N 0.134 109.038 108.800 0.173 0.000 2.759 1102 G HA2 -0.344 3.616 3.960 0.000 0.000 0.224 1102 G HA3 -0.344 3.616 3.960 0.000 0.000 0.224 1102 G C -0.491 174.527 174.900 0.196 0.000 1.173 1102 G CA 1.385 46.605 45.100 0.201 0.000 0.770 1102 G HN 0.413 nan 8.290 nan 0.000 0.626 1103 P HA -0.061 nan 4.420 nan 0.000 0.219 1103 P C 2.033 179.323 177.300 -0.016 0.000 1.144 1103 P CA 1.642 64.767 63.100 0.043 0.000 0.806 1103 P CB -0.145 31.560 31.700 0.009 0.000 0.771 1104 S N -1.965 113.680 115.700 -0.091 0.000 2.442 1104 S HA -0.066 4.404 4.470 0.000 0.000 0.236 1104 S C 1.044 175.313 174.600 -0.552 0.000 1.007 1104 S CA 1.096 59.083 58.200 -0.355 0.000 0.965 1104 S CB -0.797 62.086 63.200 -0.528 0.000 0.773 1104 S HN 0.225 nan 8.310 nan 0.000 0.504 1105 F N 0.232 120.181 119.950 -0.002 0.000 2.704 1105 F HA 0.385 4.912 4.527 -0.000 0.000 0.304 1105 F C 2.063 177.864 175.800 0.002 0.000 1.094 1105 F CA -0.186 57.814 58.000 0.001 0.000 1.275 1105 F CB -0.445 38.555 39.000 0.001 0.000 1.073 1105 F HN 0.171 nan 8.300 nan 0.000 0.586 1106 G N 1.437 110.318 108.800 0.135 0.000 2.655 1106 G HA2 0.002 3.962 3.960 0.000 0.000 0.217 1106 G HA3 0.002 3.962 3.960 0.000 0.000 0.217 1106 G C 1.393 176.318 174.900 0.041 0.000 1.279 1106 G CA 0.763 45.915 45.100 0.086 0.000 0.870 1106 G HN 0.357 nan 8.290 nan 0.000 0.560 1107 I N -3.407 117.174 120.570 0.018 0.000 3.956 1107 I HA 0.512 4.682 4.170 0.000 0.000 0.333 1107 I C 0.193 176.300 176.117 -0.015 0.000 1.302 1107 I CA -0.277 61.026 61.300 0.004 0.000 1.122 1107 I CB 0.260 38.263 38.000 0.005 0.000 1.013 1107 I HN -0.023 nan 8.210 nan 0.000 0.405 1108 K N 0.651 121.027 120.400 -0.041 0.000 10.760 1108 K HA 0.006 4.326 4.320 0.000 0.000 1.171 1108 K C -0.324 176.225 176.600 -0.085 0.000 2.449 1108 K CA 0.251 56.496 56.287 -0.071 0.000 0.791 1108 K CB -0.842 31.633 32.500 -0.043 0.000 1.302 1108 K HN 0.417 nan 8.250 nan 0.000 0.443 1109 G N 0.807 109.542 108.800 -0.109 0.000 2.332 1109 G HA2 0.606 4.566 3.960 0.000 0.000 0.310 1109 G HA3 0.606 4.566 3.960 0.000 0.000 0.310 1109 G C 0.055 174.917 174.900 -0.063 0.000 1.123 1109 G CA 0.215 45.254 45.100 -0.101 0.000 0.873 1109 G HN 0.632 nan 8.290 nan 0.000 0.460 1110 G N 0.057 108.827 108.800 -0.050 0.000 2.509 1110 G HA2 0.702 4.662 3.960 0.000 0.000 0.328 1110 G HA3 0.702 4.662 3.960 0.000 0.000 0.328 1110 G C 0.335 175.218 174.900 -0.028 0.000 1.194 1110 G CA -0.069 45.015 45.100 -0.028 0.000 0.967 1110 G HN 1.136 nan 8.290 nan 0.000 0.488 1111 A N -0.258 122.555 122.820 -0.012 0.000 2.587 1111 A HA 0.425 4.745 4.320 0.000 0.000 0.235 1111 A C 1.774 179.345 177.584 -0.022 0.000 1.044 1111 A CA 0.710 52.736 52.037 -0.018 0.000 0.754 1111 A CB 0.035 19.035 19.000 -0.002 0.000 0.968 1111 A HN 1.869 nan 8.150 nan 0.000 0.509 1112 A N 1.832 124.633 122.820 -0.031 0.000 2.272 1112 A HA 0.326 4.646 4.320 0.000 0.000 0.213 1112 A C 1.533 179.104 177.584 -0.023 0.000 1.183 1112 A CA 2.003 54.019 52.037 -0.034 0.000 0.719 1112 A CB -0.588 18.396 19.000 -0.027 0.000 0.771 1112 A HN 2.031 nan 8.150 nan 0.000 0.484 1113 G N -2.864 105.932 108.800 -0.008 0.000 4.264 1113 G HA2 0.484 4.444 3.960 0.000 0.000 0.204 1113 G HA3 0.484 4.444 3.960 0.000 0.000 0.204 1113 G C 0.510 175.438 174.900 0.047 0.000 1.003 1113 G CA 0.514 45.621 45.100 0.011 0.000 0.998 1113 G HN 1.817 nan 8.290 nan 0.000 0.361 1114 G N -0.416 108.413 108.800 0.048 0.000 2.677 1114 G HA2 0.587 4.547 3.960 0.000 0.000 0.321 1114 G HA3 0.587 4.547 3.960 0.000 0.000 0.321 1114 G C 0.867 175.788 174.900 0.036 0.000 1.449 1114 G CA 0.775 45.945 45.100 0.116 0.000 1.064 1114 G HN 2.135 nan 8.290 nan 0.000 0.627 1115 G N 1.563 110.275 108.800 -0.146 0.000 2.582 1115 G HA2 -0.129 3.831 3.960 0.000 0.000 0.288 1115 G HA3 -0.129 3.831 3.960 0.000 0.000 0.288 1115 G C 0.437 175.151 174.900 -0.309 0.000 1.247 1115 G CA 0.667 45.507 45.100 -0.434 0.000 0.972 1115 G HN 1.774 nan 8.290 nan 0.000 0.557 1116 Y N 1.989 122.154 120.300 -0.226 0.000 3.028 1116 Y HA 0.447 4.998 4.550 0.000 0.000 0.381 1116 Y C 1.574 177.433 175.900 -0.068 0.000 1.139 1116 Y CA 0.967 58.989 58.100 -0.129 0.000 2.013 1116 Y CB -0.440 37.945 38.460 -0.125 0.000 2.146 1116 Y HN 0.911 nan 8.280 nan 0.000 0.412 1117 A N -0.603 122.233 122.820 0.026 0.000 1.996 1117 A HA 0.057 4.377 4.320 0.000 0.000 0.185 1117 A C 0.549 178.138 177.584 0.008 0.000 1.803 1117 A CA -0.445 51.614 52.037 0.035 0.000 1.335 1117 A CB -0.099 18.936 19.000 0.057 0.000 1.486 1117 A HN 0.437 nan 8.150 nan 0.000 0.408 1118 Q N 1.414 121.201 119.800 -0.021 0.000 2.339 1118 Q HA 0.307 4.647 4.340 0.000 0.000 0.308 1118 Q C -0.371 175.619 176.000 -0.017 0.000 1.097 1118 Q CA -0.064 55.724 55.803 -0.026 0.000 1.007 1118 Q CB 0.099 28.804 28.738 -0.055 0.000 1.051 1118 Q HN 0.165 nan 8.270 nan 0.000 0.381 1119 V N 4.147 124.062 119.914 0.001 0.000 2.872 1119 V HA 0.167 4.287 4.120 0.000 0.000 0.307 1119 V C 0.655 176.765 176.094 0.027 0.000 1.072 1119 V CA -0.167 62.146 62.300 0.021 0.000 1.148 1119 V CB 0.809 32.657 31.823 0.041 0.000 0.954 1119 V HN 0.731 nan 8.190 nan 0.000 0.490 1120 V N 2.074 122.012 119.914 0.040 0.000 3.074 1120 V HA 0.716 4.836 4.120 0.000 0.000 0.314 1120 V C -2.636 173.519 176.094 0.103 0.000 1.117 1120 V CA -2.526 59.806 62.300 0.053 0.000 1.014 1120 V CB 1.931 33.764 31.823 0.016 0.000 1.057 1120 V HN 0.722 nan 8.190 nan 0.000 0.438 1121 P HA 0.190 nan 4.420 nan 0.000 0.271 1121 P C 0.538 177.900 177.300 0.104 0.000 1.216 1121 P CA -0.181 62.987 63.100 0.114 0.000 0.776 1121 P CB 1.354 33.140 31.700 0.143 0.000 0.881 1122 M N 2.668 122.302 119.600 0.057 0.000 2.059 1122 M HA -0.181 4.299 4.480 0.000 0.000 0.259 1122 M C 1.895 178.221 176.300 0.042 0.000 1.072 1122 M CA 1.979 57.297 55.300 0.031 0.000 1.117 1122 M CB -0.389 32.209 32.600 -0.003 0.000 1.320 1122 M HN 0.355 nan 8.290 nan 0.000 0.408 1123 E N 0.406 120.635 120.200 0.048 0.000 2.048 1123 E HA -0.272 4.078 4.350 0.000 0.000 0.202 1123 E C 1.521 178.181 176.600 0.100 0.000 1.021 1123 E CA 2.072 58.503 56.400 0.052 0.000 0.825 1123 E CB -0.533 29.203 29.700 0.059 0.000 0.756 1123 E HN 0.613 nan 8.360 nan 0.000 0.454 1124 D N 0.535 121.030 120.400 0.158 0.000 2.190 1124 D HA -0.150 4.490 4.640 0.000 0.000 0.200 1124 D C 1.857 178.404 176.300 0.411 0.000 0.992 1124 D CA 0.904 55.055 54.000 0.250 0.000 0.854 1124 D CB -0.126 40.805 40.800 0.218 0.000 0.936 1124 D HN 0.211 nan 8.370 nan 0.000 0.462 1125 I N 0.234 120.980 120.570 0.294 0.000 2.286 1125 I HA -0.172 3.998 4.170 0.000 0.000 0.245 1125 I C 0.742 176.787 176.117 -0.122 0.000 1.104 1125 I CA 0.842 62.139 61.300 -0.006 0.000 1.397 1125 I CB -0.152 37.780 38.000 -0.113 0.000 1.072 1125 I HN -0.071 nan 8.210 nan 0.000 0.417 1126 N N 0.321 118.996 118.700 -0.043 0.000 2.362 1126 N HA 0.235 4.975 4.740 0.000 0.000 0.211 1126 N C 0.281 175.760 175.510 -0.051 0.000 1.170 1126 N CA 0.344 53.351 53.050 -0.072 0.000 0.828 1126 N CB 0.473 38.911 38.487 -0.080 0.000 1.034 1126 N HN 0.288 nan 8.380 nan 0.000 0.475 1127 L N -1.698 119.524 121.223 -0.002 0.000 3.055 1127 L HA 0.250 4.590 4.340 0.000 0.000 0.222 1127 L C 1.144 178.000 176.870 -0.023 0.000 1.784 1127 L CA -0.620 54.195 54.840 -0.042 0.000 2.363 1127 L CB 0.212 42.255 42.059 -0.027 0.000 2.232 1127 L HN 0.102 nan 8.230 nan 0.000 0.645 1128 H N -0.431 118.755 119.070 0.193 0.000 2.403 1128 H HA 0.025 4.581 4.556 0.000 0.000 0.298 1128 H C 0.839 176.284 175.328 0.195 0.000 1.059 1128 H CA 1.301 57.464 56.048 0.192 0.000 1.363 1128 H CB 0.402 30.303 29.762 0.232 0.000 1.410 1128 H HN 0.299 nan 8.280 nan 0.000 0.528 1129 F N 0.241 120.266 119.950 0.125 0.000 2.185 1129 F HA -0.404 4.123 4.527 -0.000 0.000 0.318 1129 F C 1.385 177.190 175.800 0.009 0.000 1.440 1129 F CA 2.511 60.530 58.000 0.033 0.000 0.920 1129 F CB -1.144 37.839 39.000 -0.029 0.000 4.125 1129 F HN 0.188 nan 8.300 nan 0.000 0.137 1130 T N -0.175 114.220 114.554 -0.265 0.000 3.248 1130 T HA 0.503 4.853 4.350 0.000 0.000 0.271 1130 T C 0.921 175.589 174.700 -0.052 0.000 1.005 1130 T CA 0.721 62.534 62.100 -0.478 0.000 0.902 1130 T CB -0.434 67.782 68.868 -1.087 0.000 1.102 1130 T HN 2.111 nan 8.240 nan 0.000 0.548 1131 G N 1.614 110.464 108.800 0.083 0.000 2.356 1131 G HA2 -0.256 3.704 3.960 0.000 0.000 0.296 1131 G HA3 -0.256 3.704 3.960 0.000 0.000 0.296 1131 G C 0.478 175.396 174.900 0.031 0.000 1.022 1131 G CA 0.390 45.517 45.100 0.045 0.000 0.961 1131 G HN 0.513 nan 8.290 nan 0.000 0.510 1132 D N -0.403 120.024 120.400 0.045 0.000 2.120 1132 D HA 0.019 4.659 4.640 0.000 0.000 0.202 1132 D C 2.668 178.992 176.300 0.040 0.000 0.972 1132 D CA 0.703 54.749 54.000 0.076 0.000 0.837 1132 D CB -0.027 40.845 40.800 0.120 0.000 0.989 1132 D HN 0.540 nan 8.370 nan 0.000 0.469 1133 I N 1.177 121.721 120.570 -0.044 0.000 2.039 1133 I HA -0.342 3.828 4.170 0.000 0.000 0.233 1133 I C 2.269 178.462 176.117 0.127 0.000 1.040 1133 I CA 1.280 62.578 61.300 -0.003 0.000 1.308 1133 I CB -0.436 37.535 38.000 -0.048 0.000 1.035 1133 I HN 0.152 nan 8.210 nan 0.000 0.392 1134 H N 0.717 119.902 119.070 0.192 0.000 2.483 1134 H HA -0.249 4.307 4.556 -0.000 0.000 0.292 1134 H C 2.126 177.635 175.328 0.301 0.000 1.128 1134 H CA 1.579 57.786 56.048 0.267 0.000 1.197 1134 H CB -1.023 28.904 29.762 0.276 0.000 1.353 1134 H HN 0.501 nan 8.280 nan 0.000 0.514 1135 A N 0.576 123.582 122.820 0.311 0.000 1.872 1135 A HA -0.052 4.268 4.320 0.000 0.000 0.214 1135 A C 2.885 180.615 177.584 0.244 0.000 1.187 1135 A CA 1.461 53.651 52.037 0.256 0.000 0.614 1135 A CB -0.706 18.410 19.000 0.192 0.000 0.826 1135 A HN 0.234 nan 8.150 nan 0.000 0.442 1136 V N -0.063 119.973 119.914 0.204 0.000 2.261 1136 V HA -0.252 3.868 4.120 0.000 0.000 0.246 1136 V C 2.706 178.907 176.094 0.178 0.000 1.047 1136 V CA 2.514 64.923 62.300 0.182 0.000 1.015 1136 V CB -1.496 30.415 31.823 0.147 0.000 0.642 1136 V HN 0.595 nan 8.190 nan 0.000 0.446 1137 T N -0.739 113.918 114.554 0.172 0.000 2.544 1137 T HA -0.300 4.050 4.350 0.000 0.000 0.264 1137 T C 1.751 176.480 174.700 0.049 0.000 1.096 1137 T CA 2.504 64.654 62.100 0.082 0.000 1.181 1137 T CB -0.564 68.366 68.868 0.103 0.000 0.864 1137 T HN 0.464 nan 8.240 nan 0.000 0.415 1138 Y N 1.210 121.571 120.300 0.102 0.000 2.384 1138 Y HA -0.049 4.501 4.550 -0.000 0.000 0.289 1138 Y C 2.508 178.453 175.900 0.075 0.000 1.152 1138 Y CA 0.697 58.846 58.100 0.082 0.000 1.258 1138 Y CB -0.467 38.043 38.460 0.084 0.000 0.979 1138 Y HN 0.263 nan 8.280 nan 0.000 0.549 1139 A N -1.320 121.619 122.820 0.197 0.000 1.935 1139 A HA -0.150 4.170 4.320 0.000 0.000 0.214 1139 A C 2.061 179.678 177.584 0.054 0.000 1.178 1139 A CA 1.272 53.360 52.037 0.086 0.000 0.640 1139 A CB -0.678 18.346 19.000 0.040 0.000 0.825 1139 A HN 0.471 nan 8.150 nan 0.000 0.447 1140 H N 1.016 120.092 119.070 0.009 0.000 2.299 1140 H HA -0.050 4.506 4.556 0.000 0.000 0.302 1140 H C 1.501 176.883 175.328 0.091 0.000 1.078 1140 H CA 1.755 57.859 56.048 0.092 0.000 1.323 1140 H CB -0.153 29.587 29.762 -0.036 0.000 1.381 1140 H HN 0.361 nan 8.280 nan 0.000 0.498 1141 N N 0.908 119.692 118.700 0.140 0.000 2.381 1141 N HA -0.112 4.628 4.740 0.000 0.000 0.182 1141 N C 2.091 177.640 175.510 0.066 0.000 1.025 1141 N CA 0.527 53.582 53.050 0.008 0.000 0.888 1141 N CB -0.215 38.172 38.487 -0.166 0.000 0.965 1141 N HN 0.323 nan 8.380 nan 0.000 0.438 1142 L N 0.327 121.607 121.223 0.094 0.000 2.179 1142 L HA 0.087 4.428 4.340 0.000 0.000 0.208 1142 L C 1.877 178.790 176.870 0.071 0.000 1.096 1142 L CA 0.967 55.858 54.840 0.086 0.000 0.779 1142 L CB -0.641 41.474 42.059 0.093 0.000 0.922 1142 L HN -0.015 nan 8.230 nan 0.000 0.443 1143 L N 0.433 121.703 121.223 0.079 0.000 1.976 1143 L HA -0.055 4.285 4.340 0.000 0.000 0.209 1143 L C 2.590 179.519 176.870 0.098 0.000 1.071 1143 L CA 2.231 57.077 54.840 0.009 0.000 0.746 1143 L CB -1.291 40.702 42.059 -0.109 0.000 0.890 1143 L HN 0.281 nan 8.230 nan 0.000 0.432 1144 A N -0.288 122.702 122.820 0.284 0.000 1.892 1144 A HA -0.244 4.076 4.320 0.000 0.000 0.218 1144 A C 2.475 180.132 177.584 0.121 0.000 1.188 1144 A CA 2.505 54.700 52.037 0.262 0.000 0.631 1144 A CB -1.455 17.651 19.000 0.178 0.000 0.822 1144 A HN 0.645 nan 8.150 nan 0.000 0.447 1145 A N -0.841 122.033 122.820 0.091 0.000 1.948 1145 A HA -0.211 4.109 4.320 0.000 0.000 0.220 1145 A C 2.274 179.898 177.584 0.066 0.000 1.177 1145 A CA 2.121 54.200 52.037 0.068 0.000 0.636 1145 A CB -0.552 18.487 19.000 0.064 0.000 0.815 1145 A HN 0.584 nan 8.150 nan 0.000 0.449 1146 M N -1.144 118.493 119.600 0.062 0.000 2.288 1146 M HA -0.068 4.412 4.480 0.000 0.000 0.266 1146 M C 2.065 178.413 176.300 0.081 0.000 1.072 1146 M CA 0.878 56.214 55.300 0.059 0.000 1.132 1146 M CB -0.299 32.321 32.600 0.034 0.000 1.386 1146 M HN 0.262 nan 8.290 nan 0.000 0.432 1147 V N 0.655 120.607 119.914 0.062 0.000 2.220 1147 V HA -0.309 3.811 4.120 0.000 0.000 0.246 1147 V C 1.915 178.052 176.094 0.072 0.000 1.049 1147 V CA 2.049 64.377 62.300 0.047 0.000 1.003 1147 V CB -0.710 31.140 31.823 0.044 0.000 0.634 1147 V HN 0.412 nan 8.190 nan 0.000 0.444 1148 D N 0.011 120.454 120.400 0.072 0.000 2.133 1148 D HA -0.204 4.436 4.640 0.000 0.000 0.195 1148 D C 2.138 178.488 176.300 0.084 0.000 0.997 1148 D CA 1.581 55.623 54.000 0.069 0.000 0.840 1148 D CB -0.468 40.369 40.800 0.062 0.000 0.947 1148 D HN 0.493 nan 8.370 nan 0.000 0.452 1149 N N 0.721 119.472 118.700 0.085 0.000 2.043 1149 N HA -0.225 4.515 4.740 0.000 0.000 0.193 1149 N C 1.863 177.439 175.510 0.110 0.000 1.037 1149 N CA 1.222 54.319 53.050 0.078 0.000 0.851 1149 N CB -0.457 38.065 38.487 0.059 0.000 1.027 1149 N HN 0.277 nan 8.380 nan 0.000 0.422 1150 H N 1.875 120.954 119.070 0.016 0.000 2.261 1150 H HA -0.162 4.394 4.556 -0.000 0.000 0.290 1150 H C 2.412 177.753 175.328 0.021 0.000 1.081 1150 H CA 2.245 58.301 56.048 0.013 0.000 1.196 1150 H CB -0.759 29.006 29.762 0.004 0.000 1.350 1150 H HN 0.243 nan 8.280 nan 0.000 0.498 1151 L N 0.304 121.715 121.223 0.314 0.000 2.085 1151 L HA -0.293 4.047 4.340 0.000 0.000 0.218 1151 L C 2.905 179.865 176.870 0.150 0.000 1.080 1151 L CA 1.974 56.934 54.840 0.200 0.000 0.776 1151 L CB -0.718 41.399 42.059 0.096 0.000 0.891 1151 L HN 0.343 nan 8.230 nan 0.000 0.437 1152 Q N -0.156 119.711 119.800 0.112 0.000 2.181 1152 Q HA -0.235 4.105 4.340 0.000 0.000 0.205 1152 Q C 2.197 178.230 176.000 0.056 0.000 0.980 1152 Q CA 1.610 57.456 55.803 0.071 0.000 0.862 1152 Q CB -0.038 28.732 28.738 0.054 0.000 0.905 1152 Q HN 0.464 nan 8.270 nan 0.000 0.429 1153 Q N -1.581 118.247 119.800 0.047 0.000 2.230 1153 Q HA 0.130 4.470 4.340 0.000 0.000 0.202 1153 Q C 1.059 177.071 176.000 0.020 0.000 0.963 1153 Q CA 1.288 57.090 55.803 -0.001 0.000 0.866 1153 Q CB 0.405 29.087 28.738 -0.094 0.000 0.931 1153 Q HN 0.508 nan 8.270 nan 0.000 0.452 1154 G N 0.730 109.575 108.800 0.076 0.000 3.800 1154 G HA2 -0.162 3.798 3.960 0.000 0.000 0.221 1154 G HA3 -0.162 3.798 3.960 0.000 0.000 0.221 1154 G C 0.076 175.066 174.900 0.151 0.000 0.893 1154 G CA -0.232 44.920 45.100 0.086 0.000 0.986 1154 G HN 0.224 nan 8.290 nan 0.000 0.719 1155 N N -0.253 118.592 118.700 0.242 0.000 2.708 1155 N HA -0.234 4.506 4.740 0.000 0.000 0.251 1155 N C 1.598 177.278 175.510 0.284 0.000 1.017 1155 N CA 1.157 54.358 53.050 0.251 0.000 0.742 1155 N CB -1.124 37.460 38.487 0.163 0.000 0.943 1155 N HN 0.757 nan 8.380 nan 0.000 0.539 1156 V N -0.465 119.702 119.914 0.423 0.000 2.495 1156 V HA -0.291 3.829 4.120 0.000 0.000 0.260 1156 V C 1.995 178.226 176.094 0.229 0.000 1.097 1156 V CA 2.212 64.672 62.300 0.268 0.000 1.105 1156 V CB -0.479 31.432 31.823 0.146 0.000 0.678 1156 V HN 0.568 nan 8.190 nan 0.000 0.469 1157 L N -0.254 121.104 121.223 0.225 0.000 2.653 1157 L HA 0.289 4.629 4.340 0.000 0.000 0.231 1157 L C 1.048 177.950 176.870 0.054 0.000 1.153 1157 L CA 0.141 55.027 54.840 0.076 0.000 0.933 1157 L CB -0.693 41.346 42.059 -0.034 0.000 1.175 1157 L HN 0.482 nan 8.230 nan 0.000 0.473 1158 N N 1.251 120.013 118.700 0.105 0.000 2.727 1158 N HA -0.221 4.519 4.740 0.000 0.000 0.249 1158 N C -0.216 175.384 175.510 0.151 0.000 1.048 1158 N CA 0.375 53.528 53.050 0.172 0.000 0.714 1158 N CB -1.038 37.545 38.487 0.160 0.000 0.959 1158 N HN 0.345 nan 8.380 nan 0.000 0.544 1159 I N -0.112 120.465 120.570 0.011 0.000 2.519 1159 I HA 0.065 4.235 4.170 0.000 0.000 0.287 1159 I C 0.671 176.581 176.117 -0.344 0.000 1.047 1159 I CA -0.304 60.911 61.300 -0.141 0.000 1.381 1159 I CB 0.750 38.642 38.000 -0.181 0.000 1.417 1159 I HN 0.219 nan 8.210 nan 0.000 0.540 1160 D N 7.781 127.817 120.400 -0.606 0.000 2.467 1160 D HA 0.259 4.899 4.640 0.000 0.000 0.220 1160 D C -1.756 174.337 176.300 -0.344 0.000 1.103 1160 D CA -2.055 51.368 54.000 -0.960 0.000 0.886 1160 D CB 1.254 41.363 40.800 -1.151 0.000 1.025 1160 D HN 0.124 nan 8.370 nan 0.000 0.514 1161 P HA -0.221 nan 4.420 nan 0.000 0.219 1161 P C 0.674 177.952 177.300 -0.037 0.000 1.149 1161 P CA 1.253 64.316 63.100 -0.061 0.000 0.835 1161 P CB 0.148 31.847 31.700 -0.002 0.000 0.778 1162 R N -1.550 118.919 120.500 -0.052 0.000 2.323 1162 R HA 0.039 4.379 4.340 0.000 0.000 0.198 1162 R C 1.581 177.880 176.300 -0.002 0.000 0.988 1162 R CA 1.478 57.569 56.100 -0.015 0.000 1.041 1162 R CB -0.645 29.654 30.300 -0.002 0.000 0.926 1162 R HN 0.355 nan 8.270 nan 0.000 0.476 1163 T N -2.454 112.099 114.554 -0.002 0.000 3.023 1163 T HA 0.272 4.622 4.350 0.000 0.000 0.253 1163 T C 0.786 175.564 174.700 0.130 0.000 1.038 1163 T CA -0.347 61.809 62.100 0.094 0.000 0.962 1163 T CB 0.134 69.103 68.868 0.169 0.000 1.018 1163 T HN -0.035 nan 8.240 nan 0.000 0.521 1164 I N 4.059 124.659 120.570 0.049 0.000 2.742 1164 I HA 0.034 4.204 4.170 0.000 0.000 0.287 1164 I C 1.659 177.823 176.117 0.079 0.000 1.186 1164 I CA 0.289 61.615 61.300 0.044 0.000 1.417 1164 I CB 0.785 38.804 38.000 0.032 0.000 1.377 1164 I HN 0.366 nan 8.210 nan 0.000 0.556 1165 T N 2.181 116.797 114.554 0.103 0.000 3.054 1165 T HA 0.012 4.362 4.350 0.000 0.000 0.255 1165 T C 0.279 175.073 174.700 0.156 0.000 1.035 1165 T CA -0.324 61.846 62.100 0.116 0.000 0.941 1165 T CB 0.090 69.039 68.868 0.135 0.000 1.026 1165 T HN 0.587 nan 8.240 nan 0.000 0.533 1166 W N 3.866 125.127 121.300 -0.065 0.000 2.433 1166 W HA 0.387 5.048 4.660 0.000 0.000 0.331 1166 W C -0.187 176.312 176.519 -0.034 0.000 1.110 1166 W CA -1.095 56.212 57.345 -0.064 0.000 1.450 1166 W CB 0.403 29.800 29.460 -0.104 0.000 1.348 1166 W HN 0.137 nan 8.180 nan 0.000 0.415 1167 R N 3.067 123.272 120.500 -0.491 0.000 2.652 1167 R HA 0.332 4.672 4.340 0.000 0.000 0.271 1167 R C 0.410 176.280 176.300 -0.716 0.000 1.129 1167 R CA -0.417 55.392 56.100 -0.485 0.000 1.200 1167 R CB 1.053 31.101 30.300 -0.421 0.000 1.146 1167 R HN 0.436 nan 8.270 nan 0.000 0.581 1168 R N -0.581 119.440 120.500 -0.798 0.000 2.603 1168 R HA 0.569 4.909 4.340 0.000 0.000 0.231 1168 R C -1.203 174.274 176.300 -1.371 0.000 1.263 1168 R CA -0.574 54.864 56.100 -1.104 0.000 1.102 1168 R CB 1.175 30.603 30.300 -1.454 0.000 1.527 1168 R HN 0.309 nan 8.270 nan 0.000 0.554 1169 V N 1.282 120.427 119.914 -1.282 0.000 2.950 1169 V HA 0.515 4.635 4.120 0.000 0.000 0.295 1169 V C -1.807 174.105 176.094 -0.303 0.000 1.297 1169 V CA -0.623 61.198 62.300 -0.798 0.000 0.962 1169 V CB 1.931 33.209 31.823 -0.908 0.000 1.081 1169 V HN 0.669 nan 8.190 nan 0.000 0.432 1170 I N 3.801 124.355 120.570 -0.028 0.000 2.769 1170 I HA 0.615 4.785 4.170 0.000 0.000 0.298 1170 I C -0.325 175.817 176.117 0.042 0.000 1.128 1170 I CA -0.006 61.339 61.300 0.075 0.000 1.031 1170 I CB 2.376 40.496 38.000 0.201 0.000 1.235 1170 I HN 0.684 nan 8.210 nan 0.000 0.423 1171 D N 6.181 126.616 120.400 0.058 0.000 2.538 1171 D HA 0.282 4.922 4.640 0.000 0.000 0.234 1171 D C -0.575 175.775 176.300 0.084 0.000 1.191 1171 D CA 0.394 54.441 54.000 0.078 0.000 0.828 1171 D CB -0.205 40.666 40.800 0.119 0.000 0.981 1171 D HN 0.366 nan 8.370 nan 0.000 0.490 1172 L N -0.355 120.905 121.223 0.061 0.000 2.286 1172 L HA 0.441 4.781 4.340 0.000 0.000 0.265 1172 L C 0.350 177.250 176.870 0.051 0.000 1.012 1172 L CA -1.099 53.772 54.840 0.051 0.000 0.818 1172 L CB 1.440 43.498 42.059 -0.001 0.000 1.337 1172 L HN -0.236 nan 8.230 nan 0.000 0.438 1173 N N 1.565 120.296 118.700 0.052 0.000 2.719 1173 N HA 0.124 4.864 4.740 0.000 0.000 0.243 1173 N C -1.261 174.259 175.510 0.018 0.000 1.104 1173 N CA -0.058 53.020 53.050 0.048 0.000 0.981 1173 N CB 0.469 38.992 38.487 0.061 0.000 1.290 1173 N HN 0.438 nan 8.380 nan 0.000 0.513 1174 D N 0.968 121.370 120.400 0.004 0.000 2.454 1174 D HA 0.209 4.849 4.640 0.000 0.000 0.247 1174 D C 1.055 177.339 176.300 -0.026 0.000 1.129 1174 D CA -0.467 53.517 54.000 -0.027 0.000 0.877 1174 D CB 0.891 41.650 40.800 -0.069 0.000 1.082 1174 D HN 0.147 nan 8.370 nan 0.000 0.537 1175 R N 2.215 122.703 120.500 -0.019 0.000 2.105 1175 R HA -0.152 4.188 4.340 0.000 0.000 0.239 1175 R C 1.873 178.153 176.300 -0.034 0.000 1.135 1175 R CA 1.465 57.555 56.100 -0.017 0.000 0.967 1175 R CB 0.069 30.361 30.300 -0.013 0.000 0.861 1175 R HN 0.498 nan 8.270 nan 0.000 0.442 1176 A N 0.976 123.764 122.820 -0.052 0.000 1.903 1176 A HA -0.188 4.132 4.320 0.000 0.000 0.219 1176 A C 2.014 179.541 177.584 -0.095 0.000 1.191 1176 A CA 1.447 53.441 52.037 -0.072 0.000 0.638 1176 A CB -0.574 18.374 19.000 -0.087 0.000 0.823 1176 A HN 0.287 nan 8.150 nan 0.000 0.451 1177 L N -1.017 120.128 121.223 -0.131 0.000 2.554 1177 L HA -0.049 4.291 4.340 0.000 0.000 0.226 1177 L C 2.531 179.383 176.870 -0.029 0.000 1.137 1177 L CA 0.061 54.793 54.840 -0.181 0.000 0.863 1177 L CB -0.412 41.400 42.059 -0.412 0.000 0.985 1177 L HN 0.370 nan 8.230 nan 0.000 0.451 1178 R N 0.795 121.290 120.500 -0.008 0.000 2.103 1178 R HA -0.083 4.257 4.340 0.000 0.000 0.234 1178 R C 0.217 176.531 176.300 0.022 0.000 1.132 1178 R CA 1.058 57.169 56.100 0.019 0.000 0.925 1178 R CB -0.434 29.868 30.300 0.004 0.000 0.842 1178 R HN 0.370 nan 8.270 nan 0.000 0.430 1179 N N 0.967 119.670 118.700 0.005 0.000 2.479 1179 N HA 0.335 5.075 4.740 0.000 0.000 0.261 1179 N C -0.378 175.134 175.510 0.003 0.000 0.979 1179 N CA -0.258 52.797 53.050 0.008 0.000 0.930 1179 N CB 1.929 40.417 38.487 0.002 0.000 1.172 1179 N HN 0.223 nan 8.380 nan 0.000 0.499 1180 I N -2.245 118.334 120.570 0.015 0.000 3.191 1180 I HA 0.678 4.848 4.170 0.000 0.000 0.313 1180 I C -1.109 175.018 176.117 0.018 0.000 1.193 1180 I CA -1.081 60.223 61.300 0.007 0.000 0.968 1180 I CB 2.027 40.024 38.000 -0.004 0.000 1.262 1180 I HN -0.091 nan 8.210 nan 0.000 0.456 1181 V N 3.565 123.485 119.914 0.011 0.000 2.555 1181 V HA 0.600 4.720 4.120 0.000 0.000 0.302 1181 V C 0.117 176.224 176.094 0.020 0.000 1.038 1181 V CA -0.436 61.875 62.300 0.017 0.000 0.887 1181 V CB 1.636 33.466 31.823 0.012 0.000 0.991 1181 V HN 0.757 nan 8.190 nan 0.000 0.434 1182 I N 0.669 121.257 120.570 0.030 0.000 3.516 1182 I HA 0.909 5.079 4.170 0.000 0.000 0.297 1182 I C 0.998 177.134 176.117 0.031 0.000 1.139 1182 I CA -0.475 60.845 61.300 0.033 0.000 1.020 1182 I CB 1.956 39.987 38.000 0.051 0.000 1.341 1182 I HN 0.820 nan 8.210 nan 0.000 0.490 1183 G N 1.398 110.218 108.800 0.033 0.000 2.187 1183 G HA2 -0.216 3.744 3.960 0.000 0.000 0.261 1183 G HA3 -0.216 3.744 3.960 0.000 0.000 0.261 1183 G C -0.058 174.858 174.900 0.027 0.000 1.000 1183 G CA 0.606 45.726 45.100 0.033 0.000 0.718 1183 G HN 0.554 nan 8.290 nan 0.000 0.519 1184 L N -1.188 120.048 121.223 0.022 0.000 2.453 1184 L HA 0.587 4.927 4.340 0.000 0.000 0.261 1184 L C 1.716 178.595 176.870 0.016 0.000 1.179 1184 L CA 0.880 55.730 54.840 0.017 0.000 0.813 1184 L CB 1.173 43.239 42.059 0.012 0.000 1.110 1184 L HN 0.680 nan 8.230 nan 0.000 0.466 1185 G N 0.135 108.943 108.800 0.014 0.000 3.033 1185 G HA2 0.198 4.158 3.960 0.000 0.000 0.196 1185 G HA3 0.198 4.158 3.960 0.000 0.000 0.196 1185 G C 0.270 175.178 174.900 0.013 0.000 1.078 1185 G CA -0.026 45.081 45.100 0.013 0.000 0.805 1185 G HN 1.394 nan 8.290 nan 0.000 0.472 1186 G N -0.077 108.733 108.800 0.016 0.000 2.362 1186 G HA2 0.462 4.422 3.960 0.000 0.000 0.656 1186 G HA3 0.462 4.422 3.960 0.000 0.000 0.656 1186 G C 0.528 175.439 174.900 0.019 0.000 1.376 1186 G CA 0.495 45.604 45.100 0.016 0.000 0.971 1186 G HN 1.435 nan 8.290 nan 0.000 0.636 1187 K N -0.959 119.452 120.400 0.019 0.000 2.464 1187 K HA -0.037 4.283 4.320 0.000 0.000 0.200 1187 K C 1.595 178.207 176.600 0.020 0.000 1.044 1187 K CA 2.628 58.927 56.287 0.020 0.000 0.932 1187 K CB -0.100 32.411 32.500 0.018 0.000 0.753 1187 K HN 1.513 nan 8.250 nan 0.000 0.492 1188 A N 0.218 123.049 122.820 0.018 0.000 2.508 1188 A HA 0.201 4.521 4.320 0.000 0.000 0.257 1188 A C 0.897 178.492 177.584 0.019 0.000 1.226 1188 A CA -0.526 51.521 52.037 0.017 0.000 0.947 1188 A CB 0.254 19.263 19.000 0.014 0.000 1.079 1188 A HN 0.309 nan 8.150 nan 0.000 0.531 1189 N N -0.232 118.481 118.700 0.021 0.000 2.317 1189 N HA 0.304 5.044 4.740 0.000 0.000 0.199 1189 N C 0.754 176.281 175.510 0.028 0.000 1.145 1189 N CA 1.110 54.173 53.050 0.022 0.000 0.882 1189 N CB 1.618 40.117 38.487 0.020 0.000 1.113 1189 N HN 0.555 nan 8.380 nan 0.000 0.486 1190 G N 0.444 109.263 108.800 0.031 0.000 2.331 1190 G HA2 -0.084 3.876 3.960 0.000 0.000 0.402 1190 G HA3 -0.084 3.876 3.960 0.000 0.000 0.402 1190 G C -1.450 173.473 174.900 0.039 0.000 1.275 1190 G CA -0.815 44.308 45.100 0.038 0.000 1.003 1190 G HN -0.070 nan 8.290 nan 0.000 0.500 1191 V N 1.991 121.932 119.914 0.045 0.000 2.407 1191 V HA 0.493 4.613 4.120 0.000 0.000 0.278 1191 V C -1.823 174.296 176.094 0.042 0.000 1.037 1191 V CA -1.056 61.272 62.300 0.047 0.000 0.900 1191 V CB 1.630 33.487 31.823 0.057 0.000 0.983 1191 V HN 0.550 nan 8.190 nan 0.000 0.459 1192 P HA 0.394 nan 4.420 nan 0.000 0.276 1192 P C -0.666 176.655 177.300 0.035 0.000 1.243 1192 P CA -0.165 62.955 63.100 0.034 0.000 0.768 1192 P CB 0.453 32.171 31.700 0.029 0.000 0.856 1193 R N 0.870 121.389 120.500 0.033 0.000 2.752 1193 R HA 0.577 4.917 4.340 0.000 0.000 0.271 1193 R C -1.151 175.165 176.300 0.028 0.000 1.026 1193 R CA -1.053 55.065 56.100 0.030 0.000 0.901 1193 R CB 1.560 31.878 30.300 0.030 0.000 1.243 1193 R HN 0.223 nan 8.270 nan 0.000 0.463 1194 E N 0.595 120.809 120.200 0.024 0.000 2.214 1194 E HA 0.493 4.843 4.350 0.000 0.000 0.274 1194 E C -0.536 176.077 176.600 0.022 0.000 0.977 1194 E CA -0.634 55.780 56.400 0.023 0.000 0.827 1194 E CB 2.195 31.906 29.700 0.018 0.000 1.130 1194 E HN 0.773 nan 8.360 nan 0.000 0.394 1195 T N -0.828 113.742 114.554 0.026 0.000 2.634 1195 T HA 0.737 5.087 4.350 0.000 0.000 0.247 1195 T C 0.118 174.838 174.700 0.032 0.000 1.061 1195 T CA -0.461 61.650 62.100 0.018 0.000 1.221 1195 T CB 0.992 69.868 68.868 0.014 0.000 1.782 1195 T HN 0.745 nan 8.240 nan 0.000 0.437 1196 G N -0.122 108.712 108.800 0.058 0.000 2.341 1196 G HA2 0.441 4.401 3.960 0.000 0.000 0.293 1196 G HA3 0.441 4.401 3.960 0.000 0.000 0.293 1196 G C -2.426 172.577 174.900 0.171 0.000 1.298 1196 G CA -0.938 44.244 45.100 0.136 0.000 0.868 1196 G HN 0.515 nan 8.290 nan 0.000 0.540 1197 F N 1.056 120.926 119.950 -0.134 0.000 2.508 1197 F HA 0.612 5.139 4.527 0.000 0.000 0.325 1197 F C -0.035 175.660 175.800 -0.175 0.000 1.090 1197 F CA -0.814 57.080 58.000 -0.176 0.000 0.945 1197 F CB 2.378 41.288 39.000 -0.150 0.000 1.156 1197 F HN 0.293 nan 8.300 nan 0.000 0.463 1198 D N 1.896 122.200 120.400 -0.160 0.000 2.374 1198 D HA 0.291 4.931 4.640 0.000 0.000 0.239 1198 D C -0.471 175.736 176.300 -0.154 0.000 0.991 1198 D CA -0.460 53.437 54.000 -0.172 0.000 0.960 1198 D CB 2.977 43.612 40.800 -0.274 0.000 1.284 1198 D HN 0.319 nan 8.370 nan 0.000 0.512 1199 I N 0.676 121.173 120.570 -0.120 0.000 2.892 1199 I HA -0.113 4.057 4.170 0.000 0.000 0.287 1199 I C 1.520 177.564 176.117 -0.120 0.000 1.205 1199 I CA 0.778 62.046 61.300 -0.053 0.000 1.409 1199 I CB 0.844 38.876 38.000 0.053 0.000 1.367 1199 I HN 0.217 nan 8.210 nan 0.000 0.597 1200 S N 3.530 119.194 115.700 -0.061 0.000 2.382 1200 S HA -0.123 4.347 4.470 0.000 0.000 0.228 1200 S C 1.698 176.282 174.600 -0.026 0.000 1.027 1200 S CA 1.446 59.602 58.200 -0.073 0.000 0.991 1200 S CB -0.364 62.831 63.200 -0.008 0.000 0.823 1200 S HN 0.675 nan 8.310 nan 0.000 0.469 1201 V N -0.156 119.778 119.914 0.035 0.000 2.809 1201 V HA 0.175 4.295 4.120 0.000 0.000 0.256 1201 V C 1.885 178.003 176.094 0.040 0.000 1.080 1201 V CA 1.196 63.548 62.300 0.088 0.000 1.102 1201 V CB -1.198 30.731 31.823 0.177 0.000 0.705 1201 V HN 0.400 nan 8.190 nan 0.000 0.475 1202 A N 0.518 123.217 122.820 -0.203 0.000 2.276 1202 A HA 0.281 4.601 4.320 0.000 0.000 0.212 1202 A C 1.380 178.815 177.584 -0.248 0.000 1.230 1202 A CA 0.729 52.438 52.037 -0.546 0.000 0.844 1202 A CB -0.539 17.815 19.000 -1.077 0.000 0.860 1202 A HN 0.540 nan 8.150 nan 0.000 0.486 1203 S N -0.778 114.870 115.700 -0.086 0.000 2.593 1203 S HA 0.126 4.596 4.470 0.000 0.000 0.269 1203 S C 1.020 175.669 174.600 0.081 0.000 1.334 1203 S CA 0.105 58.333 58.200 0.048 0.000 1.015 1203 S CB 1.026 64.343 63.200 0.196 0.000 0.912 1203 S HN 0.562 nan 8.310 nan 0.000 0.541 1204 E N 1.784 122.060 120.200 0.127 0.000 2.230 1204 E HA 0.009 4.359 4.350 0.000 0.000 0.192 1204 E C 1.208 177.919 176.600 0.185 0.000 0.987 1204 E CA 0.442 56.935 56.400 0.154 0.000 0.841 1204 E CB 0.054 29.889 29.700 0.225 0.000 0.783 1204 E HN 0.572 nan 8.360 nan 0.000 0.481 1205 V N 1.697 121.729 119.914 0.197 0.000 3.488 1205 V HA -0.146 3.974 4.120 0.000 0.000 0.273 1205 V C 1.583 177.813 176.094 0.227 0.000 1.209 1205 V CA 0.939 63.366 62.300 0.211 0.000 1.179 1205 V CB -0.270 31.596 31.823 0.072 0.000 0.842 1205 V HN 0.363 nan 8.190 nan 0.000 0.515 1206 M N -0.043 119.660 119.600 0.170 0.000 2.925 1206 M HA 0.401 4.881 4.480 0.000 0.000 0.249 1206 M C 1.971 178.339 176.300 0.113 0.000 1.439 1206 M CA 1.576 56.949 55.300 0.122 0.000 1.217 1206 M CB -0.329 32.328 32.600 0.095 0.000 1.245 1206 M HN 0.098 nan 8.290 nan 0.000 0.552 1207 A N 0.198 123.091 122.820 0.122 0.000 1.841 1207 A HA -0.209 4.112 4.320 0.000 0.000 0.216 1207 A C 2.250 179.880 177.584 0.076 0.000 1.199 1207 A CA 2.219 54.320 52.037 0.107 0.000 0.621 1207 A CB -1.707 17.328 19.000 0.059 0.000 0.835 1207 A HN 0.703 nan 8.150 nan 0.000 0.445 1208 C N -1.258 118.099 119.300 0.094 0.000 2.392 1208 C HA -0.176 4.284 4.460 0.000 0.000 0.276 1208 C C 2.548 177.554 174.990 0.026 0.000 1.212 1208 C CA 1.377 60.433 59.018 0.064 0.000 1.791 1208 C CB -1.708 26.118 27.740 0.143 0.000 2.063 1208 C HN 0.693 nan 8.230 nan 0.000 0.481 1209 L N 0.939 122.202 121.223 0.068 0.000 1.976 1209 L HA -0.122 4.218 4.340 0.000 0.000 0.209 1209 L C 2.411 179.281 176.870 -0.000 0.000 1.071 1209 L CA 2.148 57.005 54.840 0.027 0.000 0.746 1209 L CB -1.065 41.010 42.059 0.026 0.000 0.890 1209 L HN 0.421 nan 8.230 nan 0.000 0.432 1210 C N -0.564 118.747 119.300 0.018 0.000 2.449 1210 C HA 0.024 4.484 4.460 0.000 0.000 0.283 1210 C C 1.899 176.929 174.990 0.066 0.000 1.453 1210 C CA 0.280 59.321 59.018 0.039 0.000 1.779 1210 C CB -1.307 26.502 27.740 0.115 0.000 1.779 1210 C HN 0.476 nan 8.230 nan 0.000 0.546 1211 L N -0.079 121.165 121.223 0.036 0.000 3.218 1211 L HA 0.423 4.763 4.340 0.000 0.000 0.279 1211 L C 0.497 177.364 176.870 -0.004 0.000 1.287 1211 L CA -0.040 54.814 54.840 0.022 0.000 1.024 1211 L CB -0.279 41.789 42.059 0.016 0.000 1.409 1211 L HN 0.121 nan 8.230 nan 0.000 0.580 1212 A N -0.849 121.943 122.820 -0.048 0.000 2.337 1212 A HA 0.674 4.994 4.320 0.000 0.000 0.331 1212 A C 0.854 178.373 177.584 -0.108 0.000 1.137 1212 A CA -0.301 51.678 52.037 -0.097 0.000 0.807 1212 A CB 1.463 20.384 19.000 -0.133 0.000 1.250 1212 A HN 0.111 nan 8.150 nan 0.000 0.468 1213 S N 0.174 115.797 115.700 -0.128 0.000 2.345 1213 S HA 0.031 4.501 4.470 0.000 0.000 0.219 1213 S C 0.336 174.861 174.600 -0.125 0.000 1.031 1213 S CA 1.623 59.741 58.200 -0.136 0.000 0.984 1213 S CB -0.341 62.790 63.200 -0.115 0.000 0.874 1213 S HN 0.974 nan 8.310 nan 0.000 0.451 1214 D N -1.806 118.534 120.400 -0.099 0.000 2.713 1214 D HA 0.172 4.812 4.640 0.000 0.000 0.306 1214 D C 0.038 176.291 176.300 -0.078 0.000 1.299 1214 D CA -0.764 53.193 54.000 -0.072 0.000 0.823 1214 D CB -0.132 40.646 40.800 -0.036 0.000 1.353 1214 D HN -0.087 nan 8.370 nan 0.000 0.447 1215 L N -0.376 120.815 121.223 -0.053 0.000 2.651 1215 L HA -0.017 4.323 4.340 0.000 0.000 0.236 1215 L C 0.486 177.313 176.870 -0.071 0.000 1.173 1215 L CA 1.178 55.984 54.840 -0.057 0.000 0.843 1215 L CB -0.419 41.628 42.059 -0.019 0.000 0.964 1215 L HN 0.502 nan 8.230 nan 0.000 0.454 1216 M N -1.863 117.694 119.600 -0.072 0.000 2.379 1216 M HA 0.026 4.506 4.480 0.000 0.000 0.265 1216 M C 1.309 177.548 176.300 -0.102 0.000 1.095 1216 M CA 0.431 55.688 55.300 -0.071 0.000 1.075 1216 M CB -0.051 32.524 32.600 -0.043 0.000 1.443 1216 M HN 0.081 nan 8.290 nan 0.000 0.519 1217 D N 0.483 120.810 120.400 -0.122 0.000 2.162 1217 D HA -0.054 4.586 4.640 0.000 0.000 0.205 1217 D C 1.940 178.109 176.300 -0.219 0.000 0.964 1217 D CA 0.766 54.678 54.000 -0.147 0.000 0.847 1217 D CB 0.301 41.017 40.800 -0.140 0.000 0.988 1217 D HN 0.120 nan 8.370 nan 0.000 0.480 1218 L N 1.397 122.456 121.223 -0.274 0.000 1.970 1218 L HA -0.126 4.214 4.340 0.000 0.000 0.212 1218 L C 2.266 178.757 176.870 -0.633 0.000 1.071 1218 L CA 1.792 56.326 54.840 -0.511 0.000 0.751 1218 L CB -0.567 41.203 42.059 -0.481 0.000 0.889 1218 L HN -0.050 nan 8.230 nan 0.000 0.432 1219 K N -0.760 119.425 120.400 -0.359 0.000 2.286 1219 K HA -0.277 4.043 4.320 0.000 0.000 0.203 1219 K C 1.968 178.494 176.600 -0.123 0.000 1.045 1219 K CA 1.870 58.047 56.287 -0.182 0.000 0.935 1219 K CB -0.014 32.446 32.500 -0.066 0.000 0.737 1219 K HN 0.593 nan 8.250 nan 0.000 0.460 1220 E N 0.167 120.271 120.200 -0.161 0.000 2.045 1220 E HA -0.112 4.238 4.350 0.000 0.000 0.190 1220 E C 1.848 178.392 176.600 -0.093 0.000 0.968 1220 E CA 0.196 56.534 56.400 -0.103 0.000 0.813 1220 E CB 0.105 29.742 29.700 -0.104 0.000 0.780 1220 E HN 0.191 nan 8.360 nan 0.000 0.455 1221 R N 0.189 120.599 120.500 -0.150 0.000 2.171 1221 R HA -0.200 4.140 4.340 0.000 0.000 0.232 1221 R C 2.319 178.637 176.300 0.029 0.000 1.116 1221 R CA 2.328 58.374 56.100 -0.090 0.000 0.901 1221 R CB -0.966 29.253 30.300 -0.134 0.000 0.850 1221 R HN 0.262 nan 8.270 nan 0.000 0.431 1222 F N 0.985 120.882 119.950 -0.089 0.000 2.076 1222 F HA -0.405 4.122 4.527 0.000 0.000 0.285 1222 F C 2.661 178.367 175.800 -0.156 0.000 1.083 1222 F CA 1.373 59.297 58.000 -0.127 0.000 1.294 1222 F CB -0.853 38.086 39.000 -0.100 0.000 0.947 1222 F HN 0.300 nan 8.300 nan 0.000 0.501 1223 S N 0.167 115.926 115.700 0.098 0.000 2.571 1223 S HA -0.117 4.353 4.470 0.000 0.000 0.245 1223 S C 1.314 175.894 174.600 -0.033 0.000 0.976 1223 S CA 0.754 58.954 58.200 -0.000 0.000 0.954 1223 S CB -0.445 62.756 63.200 0.001 0.000 0.756 1223 S HN 0.459 nan 8.310 nan 0.000 0.535 1224 R N 0.035 120.521 120.500 -0.023 0.000 2.254 1224 R HA 0.405 4.745 4.340 0.000 0.000 0.193 1224 R C 0.864 177.137 176.300 -0.045 0.000 0.929 1224 R CA -0.078 56.016 56.100 -0.010 0.000 1.038 1224 R CB -0.099 30.209 30.300 0.015 0.000 1.009 1224 R HN 0.457 nan 8.270 nan 0.000 0.512 1225 I N 2.840 123.339 120.570 -0.119 0.000 2.741 1225 I HA -0.054 4.116 4.170 0.000 0.000 0.288 1225 I C -0.303 175.611 176.117 -0.337 0.000 1.192 1225 I CA 0.167 61.318 61.300 -0.248 0.000 1.426 1225 I CB 0.650 38.395 38.000 -0.426 0.000 1.367 1225 I HN -0.220 nan 8.210 nan 0.000 0.563 1226 V N 8.406 128.139 119.914 -0.302 0.000 2.455 1226 V HA 0.012 4.132 4.120 0.000 0.000 0.273 1226 V C 1.050 176.951 176.094 -0.322 0.000 1.045 1226 V CA 0.089 62.194 62.300 -0.325 0.000 0.976 1226 V CB 1.159 32.774 31.823 -0.347 0.000 0.993 1226 V HN 0.791 nan 8.190 nan 0.000 0.475 1227 V N 2.625 122.335 119.914 -0.341 0.000 2.685 1227 V HA 0.659 4.779 4.120 0.000 0.000 0.244 1227 V C 0.873 176.868 176.094 -0.164 0.000 1.054 1227 V CA 1.322 63.489 62.300 -0.222 0.000 1.076 1227 V CB -0.394 31.277 31.823 -0.253 0.000 0.725 1227 V HN 1.027 nan 8.190 nan 0.000 0.467 1228 G N -1.303 107.289 108.800 -0.347 0.000 2.356 1228 G HA2 0.496 4.456 3.960 0.000 0.000 0.281 1228 G HA3 0.496 4.456 3.960 0.000 0.000 0.281 1228 G C -1.958 172.531 174.900 -0.685 0.000 1.246 1228 G CA -0.368 44.481 45.100 -0.418 0.000 0.889 1228 G HN 0.239 nan 8.290 nan 0.000 0.486 1229 Y N -0.583 119.673 120.300 -0.073 0.000 2.665 1229 Y HA 0.745 5.295 4.550 -0.000 0.000 0.336 1229 Y C 1.006 176.838 175.900 -0.114 0.000 1.085 1229 Y CA -0.398 57.662 58.100 -0.067 0.000 1.096 1229 Y CB 1.199 39.636 38.460 -0.038 0.000 1.301 1229 Y HN 0.810 nan 8.280 nan 0.000 0.493 1230 T N -3.540 111.067 114.554 0.088 0.000 2.810 1230 T HA 0.183 4.533 4.350 0.000 0.000 0.277 1230 T C 0.220 174.917 174.700 -0.005 0.000 0.973 1230 T CA -0.305 61.801 62.100 0.011 0.000 0.949 1230 T CB 0.210 69.121 68.868 0.071 0.000 1.075 1230 T HN 0.551 nan 8.240 nan 0.000 0.537 1231 Y N 0.202 120.531 120.300 0.049 0.000 2.688 1231 Y HA 0.070 4.620 4.550 -0.000 0.000 0.311 1231 Y C 1.156 177.074 175.900 0.030 0.000 1.185 1231 Y CA 0.233 58.354 58.100 0.036 0.000 1.336 1231 Y CB -0.309 38.167 38.460 0.026 0.000 1.015 1231 Y HN 0.628 nan 8.280 nan 0.000 0.522 1232 D N -2.133 118.355 120.400 0.146 0.000 2.449 1232 D HA 0.195 4.835 4.640 0.000 0.000 0.210 1232 D C 1.692 178.031 176.300 0.065 0.000 1.094 1232 D CA 0.843 54.902 54.000 0.099 0.000 0.846 1232 D CB 0.649 41.504 40.800 0.091 0.000 1.003 1232 D HN 0.151 nan 8.370 nan 0.000 0.504 1233 G N 1.258 110.098 108.800 0.068 0.000 2.141 1233 G HA2 -0.286 3.674 3.960 0.000 0.000 0.231 1233 G HA3 -0.286 3.674 3.960 0.000 0.000 0.231 1233 G C 0.252 175.243 174.900 0.151 0.000 0.984 1233 G CA -0.191 44.928 45.100 0.032 0.000 0.660 1233 G HN 0.299 nan 8.290 nan 0.000 0.525 1234 K N 1.337 121.838 120.400 0.169 0.000 2.273 1234 K HA 0.449 4.769 4.320 0.000 0.000 0.287 1234 K C -2.304 174.409 176.600 0.188 0.000 1.089 1234 K CA -1.970 54.415 56.287 0.165 0.000 0.909 1234 K CB 0.658 33.219 32.500 0.102 0.000 1.123 1234 K HN 0.014 nan 8.250 nan 0.000 0.473 1235 P HA -0.105 nan 4.420 nan 0.000 0.261 1235 P C -0.910 176.356 177.300 -0.057 0.000 1.183 1235 P CA -0.033 63.087 63.100 0.034 0.000 0.761 1235 P CB 0.725 32.500 31.700 0.125 0.000 0.785 1236 V N 3.444 123.250 119.914 -0.180 0.000 2.975 1236 V HA 0.718 4.838 4.120 0.000 0.000 0.318 1236 V C 0.556 176.538 176.094 -0.187 0.000 1.077 1236 V CA -0.260 61.952 62.300 -0.146 0.000 1.000 1236 V CB 2.122 33.847 31.823 -0.163 0.000 1.066 1236 V HN 0.688 nan 8.190 nan 0.000 0.452 1237 T N -1.252 113.211 114.554 -0.153 0.000 2.841 1237 T HA 0.651 5.001 4.350 0.000 0.000 0.296 1237 T C 0.790 175.376 174.700 -0.190 0.000 1.166 1237 T CA 0.029 62.018 62.100 -0.184 0.000 1.007 1237 T CB 1.751 70.547 68.868 -0.121 0.000 1.253 1237 T HN 0.825 nan 8.240 nan 0.000 0.511 1238 A N 0.797 123.465 122.820 -0.254 0.000 1.948 1238 A HA 0.131 4.451 4.320 0.000 0.000 0.220 1238 A C 2.370 179.878 177.584 -0.128 0.000 1.177 1238 A CA 2.419 54.311 52.037 -0.242 0.000 0.636 1238 A CB -1.759 17.050 19.000 -0.319 0.000 0.815 1238 A HN 1.291 nan 8.150 nan 0.000 0.449 1239 G N -0.196 108.547 108.800 -0.096 0.000 2.476 1239 G HA2 -0.305 3.655 3.960 0.000 0.000 0.218 1239 G HA3 -0.305 3.655 3.960 0.000 0.000 0.218 1239 G C 1.167 176.043 174.900 -0.040 0.000 1.164 1239 G CA 1.101 46.171 45.100 -0.050 0.000 0.768 1239 G HN 0.568 nan 8.290 nan 0.000 0.560 1240 D N 0.065 120.435 120.400 -0.050 0.000 2.315 1240 D HA -0.055 4.585 4.640 0.000 0.000 0.211 1240 D C 2.017 178.314 176.300 -0.005 0.000 0.977 1240 D CA 0.653 54.636 54.000 -0.028 0.000 0.894 1240 D CB 0.158 40.931 40.800 -0.045 0.000 0.910 1240 D HN 0.318 nan 8.370 nan 0.000 0.490 1241 L N 0.290 121.499 121.223 -0.022 0.000 2.693 1241 L HA 0.046 4.386 4.340 0.000 0.000 0.235 1241 L C 0.104 176.975 176.870 0.002 0.000 1.127 1241 L CA 0.016 54.862 54.840 0.011 0.000 0.914 1241 L CB 0.454 42.506 42.059 -0.013 0.000 1.193 1241 L HN -0.200 nan 8.230 nan 0.000 0.502 1242 E N -0.779 119.415 120.200 -0.010 0.000 2.513 1242 E HA -0.288 4.062 4.350 0.000 0.000 0.257 1242 E C 0.999 177.596 176.600 -0.005 0.000 1.098 1242 E CA 0.744 57.142 56.400 -0.004 0.000 0.752 1242 E CB -1.647 28.054 29.700 0.002 0.000 1.324 1242 E HN 0.558 nan 8.360 nan 0.000 0.403 1243 A N 0.928 123.734 122.820 -0.022 0.000 1.887 1243 A HA -0.167 4.153 4.320 0.000 0.000 0.212 1243 A C 2.232 179.820 177.584 0.006 0.000 1.198 1243 A CA 1.275 53.296 52.037 -0.026 0.000 0.628 1243 A CB -0.198 18.753 19.000 -0.082 0.000 0.847 1243 A HN 0.367 nan 8.150 nan 0.000 0.449 1244 Q N 0.351 120.167 119.800 0.027 0.000 2.167 1244 Q HA -0.293 4.047 4.340 0.000 0.000 0.218 1244 Q C 1.838 177.919 176.000 0.136 0.000 1.033 1244 Q CA 2.595 58.477 55.803 0.132 0.000 0.918 1244 Q CB -1.794 27.008 28.738 0.107 0.000 1.019 1244 Q HN 0.490 nan 8.270 nan 0.000 0.417 1245 G N 1.060 109.903 108.800 0.071 0.000 2.639 1245 G HA2 -0.322 3.638 3.960 0.000 0.000 0.216 1245 G HA3 -0.322 3.638 3.960 0.000 0.000 0.216 1245 G C 1.551 176.497 174.900 0.076 0.000 1.267 1245 G CA 2.127 47.264 45.100 0.061 0.000 0.801 1245 G HN 0.517 nan 8.290 nan 0.000 0.592 1246 S N 0.556 116.290 115.700 0.057 0.000 2.414 1246 S HA -0.301 4.169 4.470 0.000 0.000 0.238 1246 S C 2.405 177.056 174.600 0.085 0.000 1.055 1246 S CA 2.090 60.325 58.200 0.058 0.000 1.174 1246 S CB -0.541 62.684 63.200 0.041 0.000 1.087 1246 S HN 0.394 nan 8.310 nan 0.000 0.428 1247 M N 1.143 120.790 119.600 0.079 0.000 2.147 1247 M HA -0.304 4.176 4.480 0.000 0.000 0.253 1247 M C 2.515 178.972 176.300 0.260 0.000 1.075 1247 M CA 1.948 57.303 55.300 0.092 0.000 1.085 1247 M CB -0.891 31.678 32.600 -0.053 0.000 1.305 1247 M HN 0.477 nan 8.290 nan 0.000 0.409 1248 A N 0.058 123.063 122.820 0.308 0.000 1.917 1248 A HA -0.211 4.109 4.320 0.000 0.000 0.219 1248 A C 2.081 179.760 177.584 0.159 0.000 1.182 1248 A CA 1.897 54.079 52.037 0.241 0.000 0.633 1248 A CB -0.869 18.203 19.000 0.121 0.000 0.819 1248 A HN 0.495 nan 8.150 nan 0.000 0.448 1249 L N -0.528 120.768 121.223 0.121 0.000 2.056 1249 L HA -0.058 4.282 4.340 0.000 0.000 0.207 1249 L C 1.946 178.876 176.870 0.100 0.000 1.078 1249 L CA 1.455 56.349 54.840 0.090 0.000 0.749 1249 L CB -0.515 41.584 42.059 0.066 0.000 0.901 1249 L HN 0.259 nan 8.230 nan 0.000 0.433 1250 L N -0.598 120.696 121.223 0.118 0.000 2.261 1250 L HA -0.180 4.160 4.340 0.000 0.000 0.216 1250 L C 2.190 179.146 176.870 0.144 0.000 1.114 1250 L CA 1.378 56.291 54.840 0.123 0.000 0.777 1250 L CB -1.271 40.878 42.059 0.149 0.000 0.910 1250 L HN 0.433 nan 8.230 nan 0.000 0.440 1251 M N -1.310 118.389 119.600 0.165 0.000 2.465 1251 M HA -0.014 4.466 4.480 0.000 0.000 0.249 1251 M C 1.899 178.273 176.300 0.124 0.000 1.130 1251 M CA 0.220 55.621 55.300 0.168 0.000 1.067 1251 M CB -0.417 32.316 32.600 0.223 0.000 1.394 1251 M HN 0.189 nan 8.290 nan 0.000 0.483 1252 K N 1.188 121.648 120.400 0.100 0.000 2.227 1252 K HA -0.253 4.067 4.320 0.000 0.000 0.208 1252 K C 0.578 177.222 176.600 0.074 0.000 1.045 1252 K CA 2.041 58.372 56.287 0.073 0.000 0.931 1252 K CB 0.159 32.695 32.500 0.060 0.000 0.721 1252 K HN 0.270 nan 8.250 nan 0.000 0.469 1253 D N -1.359 119.097 120.400 0.093 0.000 2.431 1253 D HA 0.095 4.735 4.640 0.000 0.000 0.227 1253 D C 1.528 177.896 176.300 0.114 0.000 1.030 1253 D CA 0.812 54.874 54.000 0.103 0.000 0.897 1253 D CB 0.085 40.961 40.800 0.126 0.000 1.058 1253 D HN 0.277 nan 8.370 nan 0.000 0.500 1254 A N 0.946 123.847 122.820 0.136 0.000 2.067 1254 A HA -0.080 4.240 4.320 0.000 0.000 0.219 1254 A C 1.996 179.726 177.584 0.242 0.000 1.158 1254 A CA 0.465 52.606 52.037 0.174 0.000 0.661 1254 A CB -0.524 18.573 19.000 0.161 0.000 0.801 1254 A HN 0.195 nan 8.150 nan 0.000 0.452 1255 I N -0.436 120.226 120.570 0.154 0.000 3.010 1255 I HA -0.071 4.099 4.170 0.000 0.000 0.271 1255 I C 0.235 176.355 176.117 0.004 0.000 1.293 1255 I CA 0.663 62.036 61.300 0.122 0.000 1.452 1255 I CB -0.281 37.751 38.000 0.054 0.000 1.082 1255 I HN 0.107 nan 8.210 nan 0.000 0.484 1256 K N 3.361 123.729 120.400 -0.053 0.000 2.211 1256 K HA 0.342 4.662 4.320 0.000 0.000 0.275 1256 K C -2.286 173.992 176.600 -0.538 0.000 1.024 1256 K CA -1.964 54.197 56.287 -0.209 0.000 0.887 1256 K CB 0.618 33.077 32.500 -0.068 0.000 1.084 1256 K HN -0.025 nan 8.250 nan 0.000 0.463 1257 P HA -0.066 nan 4.420 nan 0.000 0.271 1257 P C -1.007 176.040 177.300 -0.422 0.000 1.244 1257 P CA -0.197 62.291 63.100 -1.020 0.000 0.793 1257 P CB 0.582 31.616 31.700 -1.109 0.000 0.984 1258 N N 0.650 119.216 118.700 -0.224 0.000 2.372 1258 N HA 0.331 5.071 4.740 0.000 0.000 0.285 1258 N C -0.669 174.993 175.510 0.253 0.000 1.008 1258 N CA -0.495 52.578 53.050 0.038 0.000 0.880 1258 N CB 1.339 39.948 38.487 0.204 0.000 1.239 1258 N HN 0.290 nan 8.380 nan 0.000 0.484 1259 L N 2.958 124.330 121.223 0.248 0.000 2.325 1259 L HA 0.645 4.985 4.340 0.000 0.000 0.279 1259 L C -0.385 176.594 176.870 0.181 0.000 1.054 1259 L CA -0.279 54.740 54.840 0.298 0.000 0.804 1259 L CB 1.264 43.450 42.059 0.212 0.000 1.200 1259 L HN 0.425 nan 8.230 nan 0.000 0.436 1260 V N 1.868 121.881 119.914 0.166 0.000 3.187 1260 V HA 0.568 4.688 4.120 0.000 0.000 0.303 1260 V C -0.960 175.178 176.094 0.074 0.000 1.529 1260 V CA -0.874 61.501 62.300 0.125 0.000 1.042 1260 V CB 1.185 33.111 31.823 0.171 0.000 1.089 1260 V HN 0.890 nan 8.190 nan 0.000 0.471 1261 Q N -0.655 119.174 119.800 0.048 0.000 3.252 1261 Q HA 0.833 5.173 4.340 0.000 0.000 0.324 1261 Q C -0.945 175.062 176.000 0.012 0.000 0.963 1261 Q CA -0.739 55.071 55.803 0.011 0.000 0.820 1261 Q CB 1.870 30.592 28.738 -0.027 0.000 1.497 1261 Q HN 0.717 nan 8.270 nan 0.000 0.484 1262 T N -0.256 114.294 114.554 -0.006 0.000 2.762 1262 T HA 0.402 4.752 4.350 0.000 0.000 0.272 1262 T C 1.029 175.718 174.700 -0.018 0.000 0.982 1262 T CA -0.831 61.268 62.100 -0.003 0.000 1.013 1262 T CB 0.551 69.423 68.868 0.007 0.000 1.309 1262 T HN 0.512 nan 8.240 nan 0.000 0.572 1263 L N 0.091 121.308 121.223 -0.009 0.000 2.395 1263 L HA 0.173 4.513 4.340 0.000 0.000 0.218 1263 L C 1.498 178.370 176.870 0.003 0.000 1.130 1263 L CA 1.239 56.073 54.840 -0.010 0.000 0.826 1263 L CB -0.340 41.721 42.059 0.004 0.000 0.941 1263 L HN 0.656 nan 8.230 nan 0.000 0.451 1264 E N 0.190 120.395 120.200 0.007 0.000 2.496 1264 E HA 0.103 4.453 4.350 0.000 0.000 0.200 1264 E C -0.355 176.238 176.600 -0.011 0.000 1.016 1264 E CA -0.206 56.197 56.400 0.004 0.000 0.962 1264 E CB 0.170 29.879 29.700 0.015 0.000 1.071 1264 E HN 0.400 nan 8.360 nan 0.000 0.457 1265 N N 1.188 119.873 118.700 -0.024 0.000 2.710 1265 N HA -0.148 4.592 4.740 0.000 0.000 0.249 1265 N C -0.836 174.658 175.510 -0.026 0.000 1.059 1265 N CA 0.460 53.489 53.050 -0.035 0.000 0.720 1265 N CB -1.012 37.448 38.487 -0.046 0.000 0.983 1265 N HN 0.079 nan 8.380 nan 0.000 0.544 1266 T N 0.333 114.878 114.554 -0.015 0.000 2.771 1266 T HA 0.294 4.644 4.350 0.000 0.000 0.291 1266 T C -2.262 172.425 174.700 -0.022 0.000 0.954 1266 T CA -1.306 60.785 62.100 -0.016 0.000 1.045 1266 T CB 1.444 70.311 68.868 -0.002 0.000 0.917 1266 T HN -0.136 nan 8.240 nan 0.000 0.484 1267 P HA 0.095 nan 4.420 nan 0.000 0.225 1267 P C -0.573 176.683 177.300 -0.074 0.000 1.054 1267 P CA 0.188 63.238 63.100 -0.083 0.000 1.244 1267 P CB -0.487 31.130 31.700 -0.139 0.000 1.310 1268 A N 3.637 126.456 122.820 -0.001 0.000 2.327 1268 A HA 0.549 4.869 4.320 0.000 0.000 0.283 1268 A C -0.594 177.106 177.584 0.193 0.000 1.127 1268 A CA -0.110 51.972 52.037 0.075 0.000 0.810 1268 A CB 0.177 19.232 19.000 0.090 0.000 1.066 1268 A HN 0.288 nan 8.150 nan 0.000 0.492 1269 F N 2.470 122.452 119.950 0.054 0.000 2.513 1269 F HA 0.390 4.917 4.527 -0.000 0.000 0.358 1269 F C -0.329 175.522 175.800 0.085 0.000 1.118 1269 F CA -1.387 56.654 58.000 0.069 0.000 1.037 1269 F CB 1.424 40.456 39.000 0.054 0.000 1.276 1269 F HN 0.505 nan 8.300 nan 0.000 0.446 1270 I N 5.887 126.617 120.570 0.266 0.000 2.371 1270 I HA 0.337 4.507 4.170 0.000 0.000 0.282 1270 I C -1.435 174.765 176.117 0.138 0.000 1.031 1270 I CA -0.114 61.264 61.300 0.130 0.000 1.180 1270 I CB 0.269 38.300 38.000 0.052 0.000 1.336 1270 I HN 0.540 nan 8.210 nan 0.000 0.467 1271 H N 6.475 125.501 119.070 -0.073 0.000 2.924 1271 H HA 0.492 5.048 4.556 0.000 0.000 0.333 1271 H C 0.052 175.331 175.328 -0.082 0.000 0.979 1271 H CA 0.443 56.437 56.048 -0.090 0.000 1.326 1271 H CB 1.661 31.304 29.762 -0.198 0.000 1.600 1271 H HN 0.953 nan 8.280 nan 0.000 0.520 1272 G N 2.258 110.810 108.800 -0.413 0.000 2.741 1272 G HA2 0.210 4.170 3.960 0.000 0.000 0.222 1272 G HA3 0.210 4.170 3.960 0.000 0.000 0.222 1272 G C -0.092 174.696 174.900 -0.186 0.000 1.364 1272 G CA -0.438 44.459 45.100 -0.337 0.000 0.866 1272 G HN 1.519 nan 8.290 nan 0.000 0.555 1273 G N -0.652 108.069 108.800 -0.131 0.000 2.141 1273 G HA2 0.614 4.574 3.960 0.000 0.000 0.177 1273 G HA3 0.614 4.574 3.960 0.000 0.000 0.177 1273 G C -2.294 172.584 174.900 -0.037 0.000 1.510 1273 G CA 0.680 45.716 45.100 -0.107 0.000 1.082 1273 G HN 0.988 nan 8.290 nan 0.000 0.622 1274 P HA 0.783 nan 4.420 nan 0.000 0.330 1274 P C -0.555 176.835 177.300 0.150 0.000 1.274 1274 P CA -0.968 62.208 63.100 0.126 0.000 0.802 1274 P CB 1.319 33.124 31.700 0.175 0.000 1.384 1275 F N -0.800 119.128 119.950 -0.037 0.000 2.380 1275 F HA 0.408 4.935 4.527 -0.000 0.000 0.325 1275 F C 1.567 177.313 175.800 -0.091 0.000 1.136 1275 F CA -0.093 57.869 58.000 -0.063 0.000 1.171 1275 F CB 0.194 39.207 39.000 0.022 0.000 1.230 1275 F HN 0.325 nan 8.300 nan 0.000 0.554 1276 A N 1.905 124.625 122.820 -0.166 0.000 2.460 1276 A HA 0.173 4.493 4.320 0.000 0.000 0.258 1276 A C 0.798 178.568 177.584 0.310 0.000 1.300 1276 A CA 0.241 52.178 52.037 -0.167 0.000 0.913 1276 A CB -0.915 17.564 19.000 -0.867 0.000 1.031 1276 A HN 0.890 nan 8.150 nan 0.000 0.512 1277 N N -1.025 117.925 118.700 0.417 0.000 2.905 1277 N HA 0.070 4.810 4.740 0.000 0.000 0.237 1277 N C 0.923 176.595 175.510 0.271 0.000 1.017 1277 N CA 0.067 53.352 53.050 0.392 0.000 1.127 1277 N CB -0.147 38.581 38.487 0.402 0.000 1.608 1277 N HN 0.092 nan 8.380 nan 0.000 0.522 1278 I N 1.694 122.424 120.570 0.267 0.000 2.493 1278 I HA 0.053 4.223 4.170 0.000 0.000 0.254 1278 I C 0.938 177.154 176.117 0.165 0.000 1.160 1278 I CA 0.376 61.777 61.300 0.168 0.000 1.445 1278 I CB -0.591 37.464 38.000 0.092 0.000 1.086 1278 I HN 0.361 nan 8.210 nan 0.000 0.433 1279 A N -0.951 122.005 122.820 0.227 0.000 2.430 1279 A HA 0.505 4.825 4.320 0.000 0.000 0.300 1279 A C 0.830 178.594 177.584 0.300 0.000 1.124 1279 A CA -0.419 51.767 52.037 0.247 0.000 0.766 1279 A CB 0.401 19.567 19.000 0.278 0.000 1.328 1279 A HN 0.370 nan 8.150 nan 0.000 0.424 1280 H N -0.041 119.057 119.070 0.047 0.000 2.543 1280 H HA 0.084 4.640 4.556 -0.000 0.000 0.286 1280 H C 1.255 176.576 175.328 -0.013 0.000 1.037 1280 H CA 0.963 57.026 56.048 0.024 0.000 1.250 1280 H CB -0.879 28.870 29.762 -0.020 0.000 1.373 1280 H HN 1.818 nan 8.280 nan 0.000 0.580 1281 G N 0.021 108.711 108.800 -0.183 0.000 2.187 1281 G HA2 -0.325 3.635 3.960 0.000 0.000 0.261 1281 G HA3 -0.325 3.635 3.960 0.000 0.000 0.261 1281 G C 0.103 174.749 174.900 -0.424 0.000 1.000 1281 G CA 0.403 45.315 45.100 -0.313 0.000 0.718 1281 G HN 0.664 nan 8.290 nan 0.000 0.519 1282 C N 0.606 119.424 119.300 -0.803 0.000 2.398 1282 C HA 0.616 5.076 4.460 0.000 0.000 0.364 1282 C C 1.223 175.991 174.990 -0.371 0.000 1.219 1282 C CA -0.313 58.390 59.018 -0.524 0.000 2.312 1282 C CB 0.559 27.968 27.740 -0.552 0.000 2.428 1282 C HN 0.871 nan 8.230 nan 0.000 0.564 1283 N N 1.094 119.686 118.700 -0.180 0.000 2.290 1283 N HA 0.233 4.973 4.740 0.000 0.000 0.269 1283 N C -0.125 175.335 175.510 -0.084 0.000 1.295 1283 N CA -0.365 52.616 53.050 -0.116 0.000 0.932 1283 N CB 0.136 38.594 38.487 -0.048 0.000 1.128 1283 N HN 0.720 nan 8.380 nan 0.000 0.532 1284 S N -1.388 114.284 115.700 -0.047 0.000 2.579 1284 S HA 0.116 4.586 4.470 0.000 0.000 0.275 1284 S C 1.017 175.631 174.600 0.024 0.000 1.345 1284 S CA -0.746 57.457 58.200 0.004 0.000 1.031 1284 S CB 0.201 63.473 63.200 0.121 0.000 0.892 1284 S HN 0.556 nan 8.310 nan 0.000 0.529 1285 I N 0.901 121.473 120.570 0.003 0.000 3.059 1285 I HA -0.043 4.127 4.170 0.000 0.000 0.270 1285 I C 1.729 177.835 176.117 -0.018 0.000 1.238 1285 I CA 0.518 61.798 61.300 -0.034 0.000 1.478 1285 I CB -0.173 37.752 38.000 -0.125 0.000 1.097 1285 I HN 0.780 nan 8.210 nan 0.000 0.455 1286 I N -1.368 119.187 120.570 -0.026 0.000 2.585 1286 I HA 0.124 4.294 4.170 0.000 0.000 0.254 1286 I C 2.471 178.538 176.117 -0.084 0.000 1.129 1286 I CA 1.242 62.487 61.300 -0.091 0.000 1.455 1286 I CB -0.819 37.124 38.000 -0.096 0.000 1.111 1286 I HN -0.081 nan 8.210 nan 0.000 0.433 1287 A N 1.328 124.090 122.820 -0.097 0.000 1.877 1287 A HA -0.131 4.189 4.320 0.000 0.000 0.216 1287 A C 2.343 179.971 177.584 0.072 0.000 1.186 1287 A CA 2.673 54.536 52.037 -0.291 0.000 0.620 1287 A CB -1.535 17.241 19.000 -0.373 0.000 0.822 1287 A HN 0.536 nan 8.150 nan 0.000 0.443 1288 T N 0.610 115.247 114.554 0.138 0.000 2.737 1288 T HA -0.136 4.214 4.350 0.000 0.000 0.265 1288 T C 1.923 176.724 174.700 0.168 0.000 1.038 1288 T CA 1.666 63.886 62.100 0.201 0.000 1.144 1288 T CB -0.337 68.641 68.868 0.185 0.000 0.866 1288 T HN 0.808 nan 8.240 nan 0.000 0.434 1289 K N 0.916 121.444 120.400 0.213 0.000 2.211 1289 K HA -0.115 4.205 4.320 0.000 0.000 0.204 1289 K C 2.139 178.849 176.600 0.183 0.000 1.047 1289 K CA 1.574 57.981 56.287 0.200 0.000 0.935 1289 K CB -0.534 32.075 32.500 0.181 0.000 0.728 1289 K HN 0.132 nan 8.250 nan 0.000 0.452 1290 T N 0.658 115.328 114.554 0.193 0.000 2.770 1290 T HA 0.044 4.394 4.350 0.000 0.000 0.258 1290 T C 2.007 176.864 174.700 0.261 0.000 1.039 1290 T CA 1.172 63.446 62.100 0.290 0.000 1.143 1290 T CB -0.302 68.751 68.868 0.308 0.000 0.866 1290 T HN 0.472 nan 8.240 nan 0.000 0.428 1291 A N 1.534 124.546 122.820 0.320 0.000 1.927 1291 A HA -0.107 4.213 4.320 0.000 0.000 0.220 1291 A C 2.262 179.870 177.584 0.039 0.000 1.185 1291 A CA 1.483 53.606 52.037 0.143 0.000 0.639 1291 A CB -1.084 18.044 19.000 0.214 0.000 0.820 1291 A HN 0.522 nan 8.150 nan 0.000 0.451 1292 L N -1.433 119.812 121.223 0.036 0.000 2.051 1292 L HA -0.303 4.037 4.340 0.000 0.000 0.214 1292 L C 2.620 179.480 176.870 -0.017 0.000 1.076 1292 L CA 2.057 56.879 54.840 -0.030 0.000 0.758 1292 L CB -0.417 41.585 42.059 -0.095 0.000 0.890 1292 L HN 0.320 nan 8.230 nan 0.000 0.433 1293 K N 0.153 120.570 120.400 0.029 0.000 1.995 1293 K HA -0.014 4.306 4.320 0.000 0.000 0.207 1293 K C 1.739 178.320 176.600 -0.031 0.000 1.041 1293 K CA 0.835 57.125 56.287 0.005 0.000 0.942 1293 K CB -0.672 31.848 32.500 0.033 0.000 0.731 1293 K HN 0.086 nan 8.250 nan 0.000 0.439 1294 L N 0.486 121.695 121.223 -0.024 0.000 2.683 1294 L HA -0.152 4.188 4.340 0.000 0.000 0.236 1294 L C 0.514 177.321 176.870 -0.104 0.000 1.179 1294 L CA 0.408 55.208 54.840 -0.067 0.000 0.822 1294 L CB -0.905 41.094 42.059 -0.099 0.000 0.952 1294 L HN 0.174 nan 8.230 nan 0.000 0.455 1295 A N -1.853 120.902 122.820 -0.109 0.000 2.566 1295 A HA 0.370 4.690 4.320 0.000 0.000 0.290 1295 A C -0.239 177.219 177.584 -0.210 0.000 1.071 1295 A CA -0.624 51.319 52.037 -0.158 0.000 0.658 1295 A CB 0.616 19.528 19.000 -0.147 0.000 1.285 1295 A HN -0.075 nan 8.150 nan 0.000 0.427 1296 D N -0.646 119.525 120.400 -0.382 0.000 2.103 1296 D HA 0.112 4.752 4.640 0.000 0.000 0.199 1296 D C -0.069 175.943 176.300 -0.480 0.000 0.978 1296 D CA 2.240 55.878 54.000 -0.602 0.000 0.829 1296 D CB -0.141 39.934 40.800 -1.207 0.000 0.981 1296 D HN 0.479 nan 8.370 nan 0.000 0.464 1297 Y N -1.053 119.229 120.300 -0.029 0.000 2.621 1297 Y HA 0.597 5.147 4.550 -0.000 0.000 0.334 1297 Y C -0.123 175.759 175.900 -0.030 0.000 1.074 1297 Y CA -1.495 56.588 58.100 -0.027 0.000 1.149 1297 Y CB 1.561 40.009 38.460 -0.019 0.000 1.302 1297 Y HN -0.431 nan 8.280 nan 0.000 0.501 1298 V N 1.634 121.633 119.914 0.141 0.000 2.559 1298 V HA 0.240 4.360 4.120 0.000 0.000 0.289 1298 V C -1.013 175.125 176.094 0.073 0.000 1.036 1298 V CA -0.903 61.441 62.300 0.074 0.000 0.887 1298 V CB 1.459 33.300 31.823 0.031 0.000 1.022 1298 V HN 0.579 nan 8.190 nan 0.000 0.442 1299 V N 4.048 124.003 119.914 0.068 0.000 2.313 1299 V HA 0.253 4.373 4.120 0.000 0.000 0.252 1299 V C 0.866 176.992 176.094 0.053 0.000 1.112 1299 V CA 0.484 62.813 62.300 0.048 0.000 0.984 1299 V CB 0.628 32.474 31.823 0.038 0.000 1.157 1299 V HN 0.948 nan 8.190 nan 0.000 0.493 1300 T N 3.759 118.351 114.554 0.062 0.000 2.924 1300 T HA 0.630 4.980 4.350 0.000 0.000 0.301 1300 T C -0.320 174.398 174.700 0.031 0.000 1.120 1300 T CA -0.254 61.896 62.100 0.083 0.000 0.940 1300 T CB 1.064 70.040 68.868 0.179 0.000 1.591 1300 T HN 0.964 nan 8.240 nan 0.000 0.578 1301 E N -0.821 119.401 120.200 0.037 0.000 2.552 1301 E HA 0.561 4.911 4.350 0.000 0.000 0.297 1301 E C -1.499 175.086 176.600 -0.025 0.000 1.038 1301 E CA -1.118 55.260 56.400 -0.037 0.000 0.856 1301 E CB 0.463 30.134 29.700 -0.047 0.000 1.222 1301 E HN 0.706 nan 8.360 nan 0.000 0.422 1302 A N 2.106 124.878 122.820 -0.079 0.000 2.312 1302 A HA 0.929 5.249 4.320 0.000 0.000 0.310 1302 A C 0.415 177.914 177.584 -0.142 0.000 1.139 1302 A CA -0.284 51.711 52.037 -0.071 0.000 0.886 1302 A CB 1.004 19.985 19.000 -0.032 0.000 1.350 1302 A HN 0.766 nan 8.150 nan 0.000 0.479 1303 G N -1.347 107.346 108.800 -0.177 0.000 2.539 1303 G HA2 0.511 4.471 3.960 0.000 0.000 0.258 1303 G HA3 0.511 4.471 3.960 0.000 0.000 0.258 1303 G C -0.121 174.688 174.900 -0.151 0.000 1.202 1303 G CA -0.093 44.834 45.100 -0.288 0.000 0.851 1303 G HN 0.637 nan 8.290 nan 0.000 0.556 1304 F N -0.717 119.163 119.950 -0.117 0.000 1.376 1304 F HA -0.196 4.331 4.527 -0.000 0.000 0.066 1304 F C 1.759 177.462 175.800 -0.161 0.000 0.132 1304 F CA 0.710 58.624 58.000 -0.143 0.000 0.283 1304 F CB -1.258 37.678 39.000 -0.106 0.000 0.714 1304 F HN 0.828 nan 8.300 nan 0.000 0.665 1305 G N -0.267 108.572 108.800 0.065 0.000 2.491 1305 G HA2 0.456 4.416 3.960 0.000 0.000 0.238 1305 G HA3 0.456 4.416 3.960 0.000 0.000 0.238 1305 G C 0.698 175.524 174.900 -0.123 0.000 1.277 1305 G CA -0.184 44.835 45.100 -0.134 0.000 0.851 1305 G HN 1.326 nan 8.290 nan 0.000 0.573 1306 A N 1.164 123.781 122.820 -0.339 0.000 2.255 1306 A HA -0.135 4.185 4.320 0.000 0.000 0.218 1306 A C 1.899 179.532 177.584 0.081 0.000 1.175 1306 A CA 1.920 53.850 52.037 -0.179 0.000 0.682 1306 A CB -0.263 18.582 19.000 -0.258 0.000 0.784 1306 A HN 0.768 nan 8.150 nan 0.000 0.482 1307 D N -1.292 119.227 120.400 0.199 0.000 2.355 1307 D HA 0.080 4.720 4.640 0.000 0.000 0.218 1307 D C 1.272 177.744 176.300 0.287 0.000 1.004 1307 D CA 0.562 54.757 54.000 0.325 0.000 0.880 1307 D CB 0.010 41.123 40.800 0.522 0.000 0.911 1307 D HN 0.530 nan 8.370 nan 0.000 0.528 1308 L N -0.497 120.877 121.223 0.252 0.000 2.932 1308 L HA 0.263 4.603 4.340 0.000 0.000 0.168 1308 L C 2.563 179.549 176.870 0.195 0.000 1.125 1308 L CA 0.483 55.491 54.840 0.281 0.000 0.868 1308 L CB -0.751 41.519 42.059 0.351 0.000 1.496 1308 L HN 0.015 nan 8.230 nan 0.000 0.519 1309 G N 0.478 109.362 108.800 0.140 0.000 2.553 1309 G HA2 -0.303 3.657 3.960 0.000 0.000 0.218 1309 G HA3 -0.303 3.657 3.960 0.000 0.000 0.218 1309 G C 1.594 176.495 174.900 0.001 0.000 1.195 1309 G CA 1.412 46.537 45.100 0.040 0.000 0.779 1309 G HN 0.430 nan 8.290 nan 0.000 0.577 1310 A N 1.685 124.461 122.820 -0.074 0.000 1.829 1310 A HA -0.107 4.213 4.320 0.000 0.000 0.216 1310 A C 2.225 179.729 177.584 -0.133 0.000 1.207 1310 A CA 2.805 54.696 52.037 -0.244 0.000 0.622 1310 A CB -0.962 17.964 19.000 -0.124 0.000 0.846 1310 A HN 0.569 nan 8.150 nan 0.000 0.447 1311 E N 0.550 120.824 120.200 0.123 0.000 2.208 1311 E HA -0.267 4.083 4.350 0.000 0.000 0.202 1311 E C 1.656 178.434 176.600 0.297 0.000 1.014 1311 E CA 2.352 58.930 56.400 0.297 0.000 0.819 1311 E CB -0.383 29.525 29.700 0.347 0.000 0.735 1311 E HN 0.696 nan 8.360 nan 0.000 0.469 1312 K N -0.584 119.945 120.400 0.216 0.000 2.044 1312 K HA 0.028 4.348 4.320 0.000 0.000 0.204 1312 K C 2.062 178.768 176.600 0.176 0.000 1.045 1312 K CA 0.904 57.326 56.287 0.224 0.000 0.951 1312 K CB -0.519 32.111 32.500 0.217 0.000 0.738 1312 K HN 0.191 nan 8.250 nan 0.000 0.443 1313 F N 1.478 121.358 119.950 -0.118 0.000 2.082 1313 F HA -0.405 4.122 4.527 -0.000 0.000 0.298 1313 F C 1.795 177.484 175.800 -0.186 0.000 1.091 1313 F CA 1.648 59.515 58.000 -0.222 0.000 1.230 1313 F CB -0.337 38.398 39.000 -0.441 0.000 0.983 1313 F HN 0.043 nan 8.300 nan 0.000 0.485 1314 Y N 0.815 121.363 120.300 0.414 0.000 2.062 1314 Y HA -0.277 4.273 4.550 0.000 0.000 0.272 1314 Y C 2.590 178.630 175.900 0.233 0.000 1.117 1314 Y CA 1.238 59.553 58.100 0.359 0.000 1.095 1314 Y CB -0.877 37.532 38.460 -0.086 0.000 0.985 1314 Y HN 0.006 nan 8.280 nan 0.000 0.479 1315 D N -0.264 120.355 120.400 0.364 0.000 2.228 1315 D HA -0.139 4.501 4.640 0.000 0.000 0.203 1315 D C 1.878 178.156 176.300 -0.037 0.000 0.988 1315 D CA 1.239 55.328 54.000 0.148 0.000 0.864 1315 D CB -0.330 40.638 40.800 0.279 0.000 0.928 1315 D HN 0.188 nan 8.370 nan 0.000 0.469 1316 V N 0.372 120.250 119.914 -0.061 0.000 2.523 1316 V HA -0.057 4.063 4.120 0.000 0.000 0.226 1316 V C 2.301 178.126 176.094 -0.449 0.000 1.107 1316 V CA 0.479 62.597 62.300 -0.303 0.000 1.121 1316 V CB -0.479 31.252 31.823 -0.154 0.000 0.753 1316 V HN -0.073 nan 8.190 nan 0.000 0.497 1317 K N -0.306 119.886 120.400 -0.346 0.000 1.970 1317 K HA -0.240 4.080 4.320 0.000 0.000 0.225 1317 K C 2.264 178.561 176.600 -0.505 0.000 1.045 1317 K CA 2.464 58.475 56.287 -0.460 0.000 1.002 1317 K CB -0.689 31.413 32.500 -0.663 0.000 0.743 1317 K HN 0.540 nan 8.250 nan 0.000 0.445 1318 C N 0.602 119.617 119.300 -0.475 0.000 2.369 1318 C HA -0.209 4.251 4.460 0.000 0.000 0.273 1318 C C 2.721 177.564 174.990 -0.245 0.000 1.172 1318 C CA 1.093 59.891 59.018 -0.365 0.000 1.791 1318 C CB -1.163 26.371 27.740 -0.343 0.000 2.086 1318 C HN 0.569 nan 8.230 nan 0.000 0.459 1319 R N -0.456 119.982 120.500 -0.102 0.000 2.127 1319 R HA -0.164 4.176 4.340 0.000 0.000 0.228 1319 R C 2.272 178.591 176.300 0.032 0.000 1.125 1319 R CA 2.291 58.392 56.100 0.001 0.000 0.904 1319 R CB -0.837 29.430 30.300 -0.054 0.000 0.831 1319 R HN 0.703 nan 8.270 nan 0.000 0.431 1320 Y N -0.537 119.668 120.300 -0.157 0.000 2.114 1320 Y HA -0.252 4.298 4.550 0.000 0.000 0.282 1320 Y C 2.176 177.933 175.900 -0.238 0.000 1.165 1320 Y CA 0.396 58.390 58.100 -0.176 0.000 1.148 1320 Y CB -0.152 38.191 38.460 -0.194 0.000 0.972 1320 Y HN 0.348 nan 8.280 nan 0.000 0.504 1321 A N 0.070 122.739 122.820 -0.251 0.000 2.276 1321 A HA 0.296 4.616 4.320 0.000 0.000 0.212 1321 A C 1.863 179.275 177.584 -0.288 0.000 1.230 1321 A CA 0.707 52.452 52.037 -0.487 0.000 0.844 1321 A CB -1.141 17.087 19.000 -1.287 0.000 0.860 1321 A HN 0.611 nan 8.150 nan 0.000 0.486 1322 G N -0.761 107.968 108.800 -0.118 0.000 2.244 1322 G HA2 -0.331 3.630 3.960 0.000 0.000 0.274 1322 G HA3 -0.331 3.630 3.960 0.000 0.000 0.274 1322 G C 0.318 175.293 174.900 0.124 0.000 1.002 1322 G CA 0.554 45.670 45.100 0.028 0.000 0.740 1322 G HN 0.523 nan 8.290 nan 0.000 0.516 1323 F N -0.419 119.433 119.950 -0.163 0.000 2.514 1323 F HA 0.352 4.879 4.527 -0.000 0.000 0.309 1323 F C 1.408 176.975 175.800 -0.388 0.000 1.279 1323 F CA 0.186 58.056 58.000 -0.218 0.000 1.304 1323 F CB 0.422 39.278 39.000 -0.240 0.000 1.223 1323 F HN -0.031 nan 8.300 nan 0.000 0.563 1324 K N 0.987 121.320 120.400 -0.112 0.000 3.072 1324 K HA 0.179 4.499 4.320 0.000 0.000 0.216 1324 K C -2.651 173.978 176.600 0.049 0.000 1.253 1324 K CA -1.294 54.901 56.287 -0.154 0.000 0.891 1324 K CB 1.057 33.599 32.500 0.071 0.000 1.224 1324 K HN 0.042 nan 8.250 nan 0.000 0.570 1325 P HA -0.164 nan 4.420 nan 0.000 0.170 1325 P C -0.315 177.104 177.300 0.199 0.000 0.837 1325 P CA 0.666 63.901 63.100 0.226 0.000 1.279 1325 P CB 0.034 31.986 31.700 0.420 0.000 1.424 1326 D N 1.045 121.519 120.400 0.122 0.000 2.417 1326 D HA -0.022 4.618 4.640 0.000 0.000 0.225 1326 D C 0.978 177.327 176.300 0.082 0.000 0.983 1326 D CA 1.096 55.157 54.000 0.102 0.000 0.949 1326 D CB 0.225 41.068 40.800 0.072 0.000 0.879 1326 D HN 0.372 nan 8.370 nan 0.000 0.520 1327 A N -1.283 121.588 122.820 0.085 0.000 2.456 1327 A HA 0.601 4.921 4.320 0.000 0.000 0.294 1327 A C -0.986 176.625 177.584 0.045 0.000 1.057 1327 A CA -0.618 51.452 52.037 0.054 0.000 0.623 1327 A CB 1.287 20.295 19.000 0.014 0.000 1.338 1327 A HN -0.029 nan 8.150 nan 0.000 0.464 1328 T N -0.700 113.865 114.554 0.018 0.000 2.886 1328 T HA 0.594 4.944 4.350 0.000 0.000 0.330 1328 T C -0.899 173.788 174.700 -0.023 0.000 1.488 1328 T CA -0.195 61.894 62.100 -0.019 0.000 1.054 1328 T CB 1.469 70.354 68.868 0.028 0.000 1.348 1328 T HN 1.326 nan 8.240 nan 0.000 0.489 1329 V N 1.707 121.589 119.914 -0.052 0.000 3.139 1329 V HA 0.817 4.937 4.120 0.000 0.000 0.310 1329 V C -0.838 175.228 176.094 -0.047 0.000 1.260 1329 V CA -1.059 61.218 62.300 -0.037 0.000 1.064 1329 V CB 2.104 33.904 31.823 -0.039 0.000 1.160 1329 V HN 0.969 nan 8.190 nan 0.000 0.470 1330 I N 0.376 120.924 120.570 -0.037 0.000 2.740 1330 I HA 0.297 4.467 4.170 0.000 0.000 0.275 1330 I C -0.835 175.265 176.117 -0.027 0.000 1.453 1330 I CA -0.326 60.944 61.300 -0.048 0.000 1.151 1330 I CB 0.879 38.857 38.000 -0.037 0.000 1.477 1330 I HN 0.394 nan 8.210 nan 0.000 0.428 1331 V N 5.306 125.200 119.914 -0.035 0.000 3.816 1331 V HA 0.822 4.942 4.120 0.000 0.000 0.281 1331 V C 0.798 176.889 176.094 -0.006 0.000 1.027 1331 V CA 0.461 62.753 62.300 -0.012 0.000 1.032 1331 V CB 1.125 32.938 31.823 -0.016 0.000 1.226 1331 V HN 1.160 nan 8.190 nan 0.000 0.448 1332 A N 0.050 122.876 122.820 0.011 0.000 1.853 1332 A HA 0.502 4.822 4.320 0.000 0.000 0.260 1332 A C -0.286 177.322 177.584 0.039 0.000 0.973 1332 A CA -0.083 51.968 52.037 0.022 0.000 0.811 1332 A CB -0.221 18.802 19.000 0.038 0.000 0.795 1332 A HN 1.280 nan 8.150 nan 0.000 0.331 1333 T N -0.483 114.083 114.554 0.019 0.000 2.770 1333 T HA 0.544 4.894 4.350 0.000 0.000 0.281 1333 T C 1.371 176.095 174.700 0.040 0.000 0.981 1333 T CA 0.315 62.423 62.100 0.012 0.000 0.955 1333 T CB 0.707 69.539 68.868 -0.060 0.000 1.060 1333 T HN 1.143 nan 8.240 nan 0.000 0.531 1334 V N 1.048 120.983 119.914 0.034 0.000 2.379 1334 V HA 0.008 4.128 4.120 0.000 0.000 0.243 1334 V C 3.079 179.191 176.094 0.030 0.000 1.035 1334 V CA 1.175 63.507 62.300 0.054 0.000 1.035 1334 V CB -0.851 31.008 31.823 0.060 0.000 0.673 1334 V HN 0.779 nan 8.190 nan 0.000 0.457 1335 R N 0.423 120.905 120.500 -0.030 0.000 2.120 1335 R HA -0.107 4.233 4.340 0.000 0.000 0.234 1335 R C 2.433 178.719 176.300 -0.024 0.000 1.123 1335 R CA 1.353 57.420 56.100 -0.055 0.000 0.975 1335 R CB -0.623 29.581 30.300 -0.159 0.000 0.866 1335 R HN 0.537 nan 8.270 nan 0.000 0.446 1336 A N 1.305 124.121 122.820 -0.007 0.000 1.892 1336 A HA -0.182 4.138 4.320 0.000 0.000 0.218 1336 A C 2.046 179.761 177.584 0.218 0.000 1.188 1336 A CA 1.410 53.480 52.037 0.054 0.000 0.631 1336 A CB -0.425 18.611 19.000 0.060 0.000 0.822 1336 A HN 0.117 nan 8.150 nan 0.000 0.447 1337 L N -0.418 120.940 121.223 0.226 0.000 2.201 1337 L HA -0.077 4.263 4.340 0.000 0.000 0.212 1337 L C 2.323 179.334 176.870 0.235 0.000 1.105 1337 L CA 1.695 56.715 54.840 0.301 0.000 0.775 1337 L CB -0.454 41.715 42.059 0.183 0.000 0.913 1337 L HN 0.310 nan 8.230 nan 0.000 0.440 1338 K N -0.713 119.762 120.400 0.126 0.000 2.097 1338 K HA -0.124 4.196 4.320 0.000 0.000 0.206 1338 K C 2.082 178.708 176.600 0.043 0.000 1.049 1338 K CA 1.359 57.692 56.287 0.077 0.000 0.933 1338 K CB -0.192 32.331 32.500 0.039 0.000 0.717 1338 K HN 0.296 nan 8.250 nan 0.000 0.442 1339 M N -0.048 119.543 119.600 -0.015 0.000 2.213 1339 M HA -0.163 4.317 4.480 0.000 0.000 0.263 1339 M C 1.602 177.828 176.300 -0.123 0.000 1.062 1339 M CA 1.340 56.578 55.300 -0.102 0.000 1.105 1339 M CB -0.381 32.103 32.600 -0.193 0.000 1.385 1339 M HN 0.206 nan 8.290 nan 0.000 0.417 1340 H N -0.792 118.291 119.070 0.022 0.000 2.546 1340 H HA 0.054 4.610 4.556 0.000 0.000 0.277 1340 H C 1.875 177.231 175.328 0.047 0.000 1.004 1340 H CA 1.254 57.323 56.048 0.036 0.000 1.231 1340 H CB -0.195 29.592 29.762 0.043 0.000 1.382 1340 H HN 0.442 nan 8.280 nan 0.000 0.580 1341 G N -0.914 107.961 108.800 0.126 0.000 3.337 1341 G HA2 0.292 4.252 3.960 0.000 0.000 0.246 1341 G HA3 0.292 4.252 3.960 0.000 0.000 0.246 1341 G C 1.202 176.132 174.900 0.050 0.000 1.131 1341 G CA 0.313 45.469 45.100 0.093 0.000 0.773 1341 G HN 0.503 nan 8.290 nan 0.000 0.544 1342 G N -0.775 108.041 108.800 0.027 0.000 2.175 1342 G HA2 -0.270 3.690 3.960 0.000 0.000 0.244 1342 G HA3 -0.270 3.690 3.960 0.000 0.000 0.244 1342 G C 0.387 175.282 174.900 -0.008 0.000 0.982 1342 G CA 0.079 45.182 45.100 0.006 0.000 0.641 1342 G HN 0.702 nan 8.290 nan 0.000 0.527 1343 V N 3.143 123.052 119.914 -0.007 0.000 2.425 1343 V HA 0.259 4.379 4.120 0.000 0.000 0.276 1343 V C -0.962 175.112 176.094 -0.034 0.000 1.017 1343 V CA -0.524 61.767 62.300 -0.014 0.000 1.062 1343 V CB 0.745 32.565 31.823 -0.005 0.000 0.997 1343 V HN 0.169 nan 8.190 nan 0.000 0.476 1344 P HA 0.054 nan 4.420 nan 0.000 0.271 1344 P C 0.887 178.161 177.300 -0.044 0.000 1.244 1344 P CA -0.302 62.775 63.100 -0.038 0.000 0.793 1344 P CB 0.658 32.341 31.700 -0.028 0.000 0.984 1345 K N 0.337 120.709 120.400 -0.047 0.000 2.148 1345 K HA -0.066 4.254 4.320 0.000 0.000 0.204 1345 K C 1.146 177.721 176.600 -0.041 0.000 1.050 1345 K CA 1.448 57.704 56.287 -0.051 0.000 0.942 1345 K CB -0.194 32.276 32.500 -0.050 0.000 0.724 1345 K HN 0.276 nan 8.250 nan 0.000 0.446 1346 S N 0.906 116.588 115.700 -0.030 0.000 2.593 1346 S HA 0.024 4.494 4.470 0.000 0.000 0.217 1346 S C -0.214 174.377 174.600 -0.016 0.000 0.966 1346 S CA 0.274 58.462 58.200 -0.020 0.000 0.914 1346 S CB 0.296 63.487 63.200 -0.016 0.000 0.776 1346 S HN 0.272 nan 8.310 nan 0.000 0.523 1347 D N 0.805 121.193 120.400 -0.019 0.000 2.772 1347 D HA 0.326 4.966 4.640 0.000 0.000 0.272 1347 D C 0.626 176.917 176.300 -0.014 0.000 1.314 1347 D CA 0.011 54.003 54.000 -0.013 0.000 0.835 1347 D CB 0.307 41.100 40.800 -0.012 0.000 1.080 1347 D HN 0.265 nan 8.370 nan 0.000 0.482 1348 L N -0.172 121.038 121.223 -0.021 0.000 2.638 1348 L HA 0.284 4.624 4.340 0.000 0.000 0.232 1348 L C 2.168 179.033 176.870 -0.008 0.000 1.099 1348 L CA 0.144 54.968 54.840 -0.027 0.000 0.883 1348 L CB 0.284 42.305 42.059 -0.063 0.000 1.136 1348 L HN 0.028 nan 8.230 nan 0.000 0.492 1349 A N -0.270 122.554 122.820 0.007 0.000 1.930 1349 A HA -0.033 4.287 4.320 0.000 0.000 0.217 1349 A C 1.261 178.864 177.584 0.031 0.000 1.175 1349 A CA 1.040 53.097 52.037 0.033 0.000 0.627 1349 A CB -0.525 18.494 19.000 0.032 0.000 0.815 1349 A HN 0.275 nan 8.150 nan 0.000 0.443 1350 T N 1.355 115.919 114.554 0.018 0.000 2.901 1350 T HA 0.286 4.636 4.350 0.000 0.000 0.301 1350 T C 0.154 174.863 174.700 0.015 0.000 1.012 1350 T CA -0.310 61.799 62.100 0.015 0.000 1.135 1350 T CB 0.868 69.742 68.868 0.009 0.000 0.936 1350 T HN 0.534 nan 8.240 nan 0.000 0.539 1351 E N 2.851 123.059 120.200 0.014 0.000 2.418 1351 E HA 0.051 4.401 4.350 0.000 0.000 0.261 1351 E C -0.132 176.473 176.600 0.009 0.000 1.070 1351 E CA -0.252 56.155 56.400 0.012 0.000 0.931 1351 E CB 0.427 30.131 29.700 0.006 0.000 0.954 1351 E HN 0.588 nan 8.360 nan 0.000 0.439 1352 N N 2.996 121.702 118.700 0.010 0.000 2.636 1352 N HA 0.135 4.875 4.740 0.000 0.000 0.261 1352 N C -1.012 174.505 175.510 0.012 0.000 1.195 1352 N CA -0.328 52.729 53.050 0.011 0.000 0.902 1352 N CB 1.144 39.641 38.487 0.015 0.000 1.627 1352 N HN 0.431 nan 8.380 nan 0.000 0.491 1353 L N 1.478 122.707 121.223 0.010 0.000 3.076 1353 L HA 0.384 4.724 4.340 0.000 0.000 0.271 1353 L C 1.563 178.441 176.870 0.013 0.000 1.152 1353 L CA 0.000 54.844 54.840 0.007 0.000 0.996 1353 L CB -0.019 42.035 42.059 -0.009 0.000 1.453 1353 L HN 0.438 nan 8.230 nan 0.000 0.571 1354 E N 1.094 121.304 120.200 0.016 0.000 2.358 1354 E HA 0.106 4.456 4.350 0.000 0.000 0.195 1354 E C 1.917 178.539 176.600 0.038 0.000 1.010 1354 E CA 1.054 57.467 56.400 0.021 0.000 0.856 1354 E CB 0.303 30.013 29.700 0.017 0.000 0.795 1354 E HN 0.472 nan 8.360 nan 0.000 0.504 1355 A N 0.877 123.724 122.820 0.044 0.000 2.014 1355 A HA 0.047 4.367 4.320 0.000 0.000 0.210 1355 A C 1.996 179.634 177.584 0.089 0.000 1.188 1355 A CA -0.114 51.961 52.037 0.063 0.000 0.731 1355 A CB -0.166 18.866 19.000 0.052 0.000 0.858 1355 A HN 0.163 nan 8.150 nan 0.000 0.464 1356 L N 0.277 121.545 121.223 0.075 0.000 2.187 1356 L HA -0.122 4.218 4.340 0.000 0.000 0.213 1356 L C 2.239 179.187 176.870 0.130 0.000 1.100 1356 L CA 2.125 57.022 54.840 0.095 0.000 0.765 1356 L CB -0.748 41.342 42.059 0.053 0.000 0.904 1356 L HN 0.558 nan 8.230 nan 0.000 0.437 1357 R N -1.047 119.509 120.500 0.094 0.000 2.090 1357 R HA -0.056 4.284 4.340 0.000 0.000 0.219 1357 R C 2.003 178.415 176.300 0.186 0.000 1.100 1357 R CA 0.396 56.556 56.100 0.100 0.000 0.991 1357 R CB 0.233 30.546 30.300 0.023 0.000 0.893 1357 R HN 0.256 nan 8.270 nan 0.000 0.443 1358 E N -0.031 120.254 120.200 0.141 0.000 2.046 1358 E HA -0.074 4.276 4.350 0.000 0.000 0.190 1358 E C 1.836 178.537 176.600 0.169 0.000 0.982 1358 E CA 1.412 57.896 56.400 0.139 0.000 0.800 1358 E CB -0.416 29.345 29.700 0.102 0.000 0.756 1358 E HN 0.519 nan 8.360 nan 0.000 0.449 1359 G N 0.357 109.264 108.800 0.180 0.000 2.535 1359 G HA2 -0.242 3.718 3.960 0.000 0.000 0.218 1359 G HA3 -0.242 3.718 3.960 0.000 0.000 0.218 1359 G C 1.358 176.348 174.900 0.150 0.000 1.122 1359 G CA 0.236 45.460 45.100 0.207 0.000 0.769 1359 G HN 0.214 nan 8.290 nan 0.000 0.549 1360 F N 2.255 122.234 119.950 0.049 0.000 2.186 1360 F HA 0.158 4.685 4.527 -0.000 0.000 0.299 1360 F C 2.643 178.456 175.800 0.022 0.000 1.090 1360 F CA 0.876 58.895 58.000 0.031 0.000 1.307 1360 F CB -0.205 38.817 39.000 0.037 0.000 1.019 1360 F HN 0.203 nan 8.300 nan 0.000 0.489 1361 A N 0.541 123.383 122.820 0.037 0.000 2.009 1361 A HA -0.375 3.945 4.320 0.000 0.000 0.222 1361 A C 1.957 179.437 177.584 -0.174 0.000 1.175 1361 A CA 2.264 54.268 52.037 -0.056 0.000 0.651 1361 A CB -1.457 17.569 19.000 0.043 0.000 0.815 1361 A HN 0.633 nan 8.150 nan 0.000 0.459 1362 N N -0.366 118.240 118.700 -0.157 0.000 2.006 1362 N HA -0.166 4.574 4.740 0.000 0.000 0.196 1362 N C 1.603 177.016 175.510 -0.162 0.000 1.070 1362 N CA 1.862 54.837 53.050 -0.125 0.000 0.859 1362 N CB -0.454 37.717 38.487 -0.527 0.000 1.060 1362 N HN 0.325 nan 8.380 nan 0.000 0.424 1363 L N 1.386 122.443 121.223 -0.278 0.000 2.034 1363 L HA -0.254 4.086 4.340 0.000 0.000 0.217 1363 L C 2.158 178.841 176.870 -0.312 0.000 1.077 1363 L CA 2.329 57.038 54.840 -0.218 0.000 0.769 1363 L CB -1.267 40.608 42.059 -0.307 0.000 0.890 1363 L HN 0.532 nan 8.230 nan 0.000 0.435 1364 E N -0.747 119.026 120.200 -0.712 0.000 2.130 1364 E HA -0.326 4.024 4.350 0.000 0.000 0.196 1364 E C 2.162 178.632 176.600 -0.215 0.000 0.998 1364 E CA 1.583 57.681 56.400 -0.504 0.000 0.806 1364 E CB -0.148 29.213 29.700 -0.564 0.000 0.738 1364 E HN 0.463 nan 8.360 nan 0.000 0.459 1365 K N 0.330 120.586 120.400 -0.240 0.000 2.001 1365 K HA -0.182 4.138 4.320 0.000 0.000 0.208 1365 K C 2.036 178.545 176.600 -0.151 0.000 1.048 1365 K CA 2.063 58.178 56.287 -0.287 0.000 0.932 1365 K CB -0.562 31.546 32.500 -0.654 0.000 0.715 1365 K HN 0.317 nan 8.250 nan 0.000 0.437 1366 H N 1.019 120.133 119.070 0.073 0.000 2.319 1366 H HA -0.152 4.404 4.556 -0.000 0.000 0.297 1366 H C 2.023 177.381 175.328 0.050 0.000 1.097 1366 H CA 1.813 57.927 56.048 0.111 0.000 1.285 1366 H CB -0.367 29.465 29.762 0.117 0.000 1.368 1366 H HN 0.170 nan 8.280 nan 0.000 0.495 1367 I N 1.391 122.038 120.570 0.128 0.000 2.143 1367 I HA -0.289 3.881 4.170 0.000 0.000 0.245 1367 I C 2.226 178.379 176.117 0.059 0.000 1.068 1367 I CA 1.332 62.678 61.300 0.076 0.000 1.326 1367 I CB -1.247 36.776 38.000 0.039 0.000 1.028 1367 I HN 0.350 nan 8.210 nan 0.000 0.412 1368 E N 0.896 121.110 120.200 0.022 0.000 2.031 1368 E HA -0.205 4.145 4.350 0.000 0.000 0.193 1368 E C 1.969 178.574 176.600 0.009 0.000 0.994 1368 E CA 1.245 57.643 56.400 -0.003 0.000 0.800 1368 E CB -0.299 29.372 29.700 -0.049 0.000 0.752 1368 E HN 0.576 nan 8.360 nan 0.000 0.447 1369 N N 1.234 119.956 118.700 0.036 0.000 2.120 1369 N HA -0.136 4.604 4.740 0.000 0.000 0.188 1369 N C 2.107 177.717 175.510 0.167 0.000 1.024 1369 N CA 0.873 53.965 53.050 0.069 0.000 0.852 1369 N CB -0.345 38.230 38.487 0.148 0.000 1.003 1369 N HN 0.173 nan 8.380 nan 0.000 0.424 1370 I N 1.244 121.935 120.570 0.201 0.000 2.074 1370 I HA -0.299 3.871 4.170 0.000 0.000 0.238 1370 I C 2.577 178.777 176.117 0.138 0.000 1.037 1370 I CA 1.747 63.171 61.300 0.206 0.000 1.301 1370 I CB -1.000 37.083 38.000 0.138 0.000 1.016 1370 I HN 0.183 nan 8.210 nan 0.000 0.400 1371 G N 0.780 109.622 108.800 0.071 0.000 2.513 1371 G HA2 -0.310 3.650 3.960 0.000 0.000 0.219 1371 G HA3 -0.310 3.650 3.960 0.000 0.000 0.219 1371 G C 1.611 176.502 174.900 -0.014 0.000 1.160 1371 G CA 1.040 46.158 45.100 0.030 0.000 0.767 1371 G HN 0.384 nan 8.290 nan 0.000 0.571 1372 K N -0.410 119.950 120.400 -0.067 0.000 2.304 1372 K HA -0.144 4.176 4.320 0.000 0.000 0.204 1372 K C 1.929 178.310 176.600 -0.365 0.000 1.044 1372 K CA 1.158 57.326 56.287 -0.199 0.000 0.932 1372 K CB -0.305 32.015 32.500 -0.300 0.000 0.735 1372 K HN 0.468 nan 8.250 nan 0.000 0.468 1373 F N 0.028 119.749 119.950 -0.383 0.000 2.789 1373 F HA 0.128 4.655 4.527 -0.000 0.000 0.300 1373 F C 1.255 176.467 175.800 -0.980 0.000 1.132 1373 F CA 0.469 57.990 58.000 -0.798 0.000 1.404 1373 F CB 0.502 38.830 39.000 -1.121 0.000 1.114 1373 F HN 0.114 nan 8.300 nan 0.000 0.584 1374 G N 1.368 110.028 108.800 -0.233 0.000 2.370 1374 G HA2 0.001 3.961 3.960 0.000 0.000 0.268 1374 G HA3 0.001 3.961 3.960 0.000 0.000 0.268 1374 G C -0.545 174.364 174.900 0.015 0.000 1.122 1374 G CA -0.036 45.082 45.100 0.030 0.000 0.963 1374 G HN 0.725 nan 8.290 nan 0.000 0.500 1375 V N -3.497 116.432 119.914 0.024 0.000 3.048 1375 V HA 0.895 5.015 4.120 0.000 0.000 0.303 1375 V C -1.877 174.259 176.094 0.069 0.000 1.214 1375 V CA -2.034 60.314 62.300 0.080 0.000 0.984 1375 V CB 1.824 33.724 31.823 0.129 0.000 1.054 1375 V HN 0.138 nan 8.190 nan 0.000 0.430 1376 P HA 0.553 nan 4.420 nan 0.000 0.287 1376 P C -0.303 177.027 177.300 0.049 0.000 1.282 1376 P CA 0.946 64.077 63.100 0.051 0.000 0.804 1376 P CB 0.211 31.936 31.700 0.043 0.000 1.323 1377 A N -2.713 120.129 122.820 0.036 0.000 2.550 1377 A HA 0.574 4.894 4.320 0.000 0.000 0.295 1377 A C -1.795 175.802 177.584 0.022 0.000 1.001 1377 A CA -0.354 51.703 52.037 0.033 0.000 0.660 1377 A CB 0.555 19.582 19.000 0.046 0.000 1.308 1377 A HN 0.215 nan 8.150 nan 0.000 0.426 1378 V N 0.483 120.408 119.914 0.017 0.000 3.077 1378 V HA 0.524 4.644 4.120 0.000 0.000 0.299 1378 V C -0.261 175.843 176.094 0.017 0.000 1.276 1378 V CA -0.644 61.663 62.300 0.012 0.000 0.993 1378 V CB 2.018 33.838 31.823 -0.004 0.000 1.076 1378 V HN 1.088 nan 8.190 nan 0.000 0.434 1379 V N 2.120 122.049 119.914 0.025 0.000 3.036 1379 V HA 0.913 5.033 4.120 0.000 0.000 0.308 1379 V C 0.389 176.497 176.094 0.024 0.000 1.070 1379 V CA 0.095 62.418 62.300 0.038 0.000 1.056 1379 V CB 1.690 33.553 31.823 0.068 0.000 1.084 1379 V HN 1.183 nan 8.190 nan 0.000 0.471 1380 A N 3.634 126.474 122.820 0.034 0.000 2.488 1380 A HA 0.796 5.116 4.320 0.000 0.000 0.295 1380 A C -1.443 176.173 177.584 0.053 0.000 1.045 1380 A CA -0.398 51.659 52.037 0.033 0.000 0.703 1380 A CB 1.322 20.334 19.000 0.019 0.000 1.271 1380 A HN 0.497 nan 8.150 nan 0.000 0.400 1381 I N 2.095 122.706 120.570 0.067 0.000 2.439 1381 I HA 0.254 4.424 4.170 0.000 0.000 0.283 1381 I C 0.175 176.345 176.117 0.088 0.000 1.023 1381 I CA -0.577 60.776 61.300 0.087 0.000 1.100 1381 I CB 1.042 39.119 38.000 0.127 0.000 1.238 1381 I HN 0.850 nan 8.210 nan 0.000 0.445 1382 N N 4.617 123.360 118.700 0.071 0.000 2.399 1382 N HA 0.193 4.933 4.740 0.000 0.000 0.284 1382 N C 0.429 176.002 175.510 0.104 0.000 1.283 1382 N CA -0.225 52.871 53.050 0.077 0.000 0.972 1382 N CB 0.646 39.152 38.487 0.031 0.000 1.328 1382 N HN 0.785 nan 8.380 nan 0.000 0.486 1383 A N 3.596 126.492 122.820 0.126 0.000 2.565 1383 A HA 0.129 4.449 4.320 0.000 0.000 0.237 1383 A C -0.512 177.166 177.584 0.156 0.000 1.053 1383 A CA 0.484 52.602 52.037 0.134 0.000 0.755 1383 A CB 0.010 19.082 19.000 0.120 0.000 0.980 1383 A HN 0.682 nan 8.150 nan 0.000 0.506 1384 F N 2.847 122.778 119.950 -0.032 0.000 2.588 1384 F HA 0.561 5.088 4.527 -0.000 0.000 0.310 1384 F C -2.089 173.686 175.800 -0.042 0.000 1.082 1384 F CA -1.873 56.077 58.000 -0.082 0.000 0.929 1384 F CB 2.124 41.057 39.000 -0.111 0.000 1.254 1384 F HN 0.400 nan 8.300 nan 0.000 0.455 1385 P HA -0.167 nan 4.420 nan 0.000 0.217 1385 P C 1.191 178.381 177.300 -0.183 0.000 1.148 1385 P CA 2.458 65.253 63.100 -0.507 0.000 0.834 1385 P CB 0.029 31.306 31.700 -0.705 0.000 0.783 1386 T N -5.894 108.675 114.554 0.024 0.000 3.081 1386 T HA 0.044 4.394 4.350 0.000 0.000 0.250 1386 T C 0.612 175.397 174.700 0.142 0.000 1.100 1386 T CA 0.005 62.196 62.100 0.152 0.000 1.038 1386 T CB -0.554 68.472 68.868 0.264 0.000 0.962 1386 T HN -0.099 nan 8.240 nan 0.000 0.516 1387 D N 4.530 125.033 120.400 0.172 0.000 2.662 1387 D HA 0.125 4.765 4.640 0.000 0.000 0.228 1387 D C 0.967 177.292 176.300 0.041 0.000 1.093 1387 D CA 0.242 54.308 54.000 0.110 0.000 1.075 1387 D CB -0.120 40.763 40.800 0.138 0.000 1.122 1387 D HN 0.641 nan 8.370 nan 0.000 0.475 1388 T N -1.494 113.074 114.554 0.022 0.000 2.716 1388 T HA -0.059 4.291 4.350 0.000 0.000 0.335 1388 T C 1.506 176.184 174.700 -0.036 0.000 1.081 1388 T CA -0.422 61.674 62.100 -0.007 0.000 1.073 1388 T CB 1.387 70.250 68.868 -0.008 0.000 0.993 1388 T HN 0.061 nan 8.240 nan 0.000 0.547 1389 E N 1.254 121.423 120.200 -0.052 0.000 2.012 1389 E HA -0.174 4.176 4.350 0.000 0.000 0.197 1389 E C 2.635 179.161 176.600 -0.122 0.000 1.007 1389 E CA 1.662 58.004 56.400 -0.096 0.000 0.816 1389 E CB -1.414 28.241 29.700 -0.075 0.000 0.762 1389 E HN 0.837 nan 8.360 nan 0.000 0.451 1390 A N 2.029 124.800 122.820 -0.081 0.000 1.883 1390 A HA -0.360 3.960 4.320 0.000 0.000 0.222 1390 A C 2.133 179.666 177.584 -0.086 0.000 1.339 1390 A CA 2.654 54.647 52.037 -0.075 0.000 0.692 1390 A CB -1.036 17.938 19.000 -0.044 0.000 0.845 1390 A HN 0.381 nan 8.150 nan 0.000 0.467 1391 E N -0.454 119.711 120.200 -0.059 0.000 2.033 1391 E HA -0.233 4.117 4.350 0.000 0.000 0.199 1391 E C 2.084 178.637 176.600 -0.078 0.000 1.011 1391 E CA 1.498 57.872 56.400 -0.044 0.000 0.815 1391 E CB -0.468 29.226 29.700 -0.010 0.000 0.755 1391 E HN 0.642 nan 8.360 nan 0.000 0.451 1392 L N 1.469 122.622 121.223 -0.116 0.000 1.997 1392 L HA -0.295 4.045 4.340 0.000 0.000 0.216 1392 L C 2.221 178.840 176.870 -0.418 0.000 1.074 1392 L CA 1.270 55.989 54.840 -0.202 0.000 0.763 1392 L CB -0.914 40.989 42.059 -0.259 0.000 0.890 1392 L HN 0.189 nan 8.230 nan 0.000 0.434 1393 N N 0.207 118.602 118.700 -0.509 0.000 2.096 1393 N HA -0.253 4.487 4.740 0.000 0.000 0.195 1393 N C 1.789 177.186 175.510 -0.188 0.000 1.017 1393 N CA 1.652 54.416 53.050 -0.476 0.000 0.870 1393 N CB -0.622 37.708 38.487 -0.263 0.000 1.024 1393 N HN 0.219 nan 8.380 nan 0.000 0.434 1394 L N 1.053 122.201 121.223 -0.126 0.000 1.994 1394 L HA -0.051 4.289 4.340 0.000 0.000 0.208 1394 L C 2.217 179.050 176.870 -0.061 0.000 1.071 1394 L CA 1.212 56.005 54.840 -0.077 0.000 0.745 1394 L CB -1.081 40.937 42.059 -0.068 0.000 0.892 1394 L HN 0.070 nan 8.230 nan 0.000 0.431 1395 L N -0.803 120.408 121.223 -0.020 0.000 1.978 1395 L HA -0.308 4.032 4.340 0.000 0.000 0.218 1395 L C 2.306 179.252 176.870 0.127 0.000 1.075 1395 L CA 2.064 56.932 54.840 0.048 0.000 0.767 1395 L CB -1.103 41.041 42.059 0.141 0.000 0.890 1395 L HN 0.431 nan 8.230 nan 0.000 0.434 1396 Y N 0.308 120.597 120.300 -0.019 0.000 1.980 1396 Y HA -0.472 4.078 4.550 0.000 0.000 0.249 1396 Y C 2.641 178.521 175.900 -0.033 0.000 1.215 1396 Y CA 1.906 59.999 58.100 -0.010 0.000 1.075 1396 Y CB -0.513 37.941 38.460 -0.009 0.000 0.894 1396 Y HN 0.488 nan 8.280 nan 0.000 0.503 1397 E N -0.070 120.207 120.200 0.128 0.000 2.007 1397 E HA -0.229 4.121 4.350 0.000 0.000 0.194 1397 E C 2.031 178.590 176.600 -0.068 0.000 0.999 1397 E CA 1.385 57.796 56.400 0.019 0.000 0.811 1397 E CB -0.690 29.010 29.700 -0.001 0.000 0.762 1397 E HN 0.290 nan 8.360 nan 0.000 0.450 1398 L N 1.302 122.398 121.223 -0.211 0.000 2.186 1398 L HA -0.234 4.106 4.340 0.000 0.000 0.221 1398 L C 2.157 178.881 176.870 -0.243 0.000 1.087 1398 L CA 1.440 55.995 54.840 -0.476 0.000 0.794 1398 L CB -1.597 39.739 42.059 -1.205 0.000 0.893 1398 L HN 0.459 nan 8.230 nan 0.000 0.442 1399 C N 0.610 119.900 119.300 -0.017 0.000 2.420 1399 C HA 0.233 4.693 4.460 0.000 0.000 0.373 1399 C C 1.611 176.667 174.990 0.111 0.000 1.356 1399 C CA -0.598 58.538 59.018 0.196 0.000 1.531 1399 C CB -2.365 25.479 27.740 0.173 0.000 1.613 1399 C HN 0.416 nan 8.230 nan 0.000 0.597 1400 A N 1.393 124.253 122.820 0.067 0.000 2.899 1400 A HA 0.284 4.604 4.320 0.000 0.000 0.287 1400 A C 1.219 178.841 177.584 0.064 0.000 1.715 1400 A CA 0.598 52.663 52.037 0.046 0.000 1.393 1400 A CB -0.315 18.697 19.000 0.020 0.000 1.070 1400 A HN 0.783 nan 8.150 nan 0.000 0.587 1401 K N -0.560 119.878 120.400 0.062 0.000 2.195 1401 K HA 0.395 4.715 4.320 0.000 0.000 0.153 1401 K C -0.140 176.487 176.600 0.045 0.000 1.989 1401 K CA 0.715 57.036 56.287 0.056 0.000 1.067 1401 K CB 0.300 32.846 32.500 0.076 0.000 1.964 1401 K HN 1.208 nan 8.250 nan 0.000 0.482 1402 A N -0.286 122.560 122.820 0.043 0.000 2.415 1402 A HA 0.507 4.827 4.320 0.000 0.000 0.294 1402 A C -0.586 177.013 177.584 0.024 0.000 1.019 1402 A CA -0.379 51.677 52.037 0.031 0.000 0.603 1402 A CB -0.396 18.624 19.000 0.035 0.000 1.382 1402 A HN 0.159 nan 8.150 nan 0.000 0.483 1403 G N -0.769 108.038 108.800 0.012 0.000 2.765 1403 G HA2 0.561 4.521 3.960 0.000 0.000 0.230 1403 G HA3 0.561 4.521 3.960 0.000 0.000 0.230 1403 G C 0.344 175.244 174.900 0.000 0.000 1.238 1403 G CA 0.838 45.936 45.100 -0.002 0.000 0.854 1403 G HN 2.389 nan 8.290 nan 0.000 0.579 1404 A N 1.508 124.313 122.820 -0.024 0.000 2.475 1404 A HA 0.553 4.873 4.320 0.000 0.000 0.300 1404 A C -0.380 177.151 177.584 -0.088 0.000 1.089 1404 A CA -0.581 51.439 52.037 -0.028 0.000 0.948 1404 A CB 0.960 19.957 19.000 -0.005 0.000 1.508 1404 A HN 0.531 nan 8.150 nan 0.000 0.385 1405 E N -0.001 120.158 120.200 -0.069 0.000 2.303 1405 E HA 0.596 4.946 4.350 0.000 0.000 0.254 1405 E C -0.822 175.745 176.600 -0.055 0.000 0.979 1405 E CA -0.753 55.591 56.400 -0.094 0.000 0.843 1405 E CB 2.362 32.026 29.700 -0.060 0.000 1.245 1405 E HN 0.729 nan 8.360 nan 0.000 0.413 1406 V N 0.262 120.151 119.914 -0.042 0.000 2.384 1406 V HA 0.661 4.781 4.120 0.000 0.000 0.287 1406 V C -1.181 174.937 176.094 0.041 0.000 1.020 1406 V CA -0.428 61.892 62.300 0.032 0.000 0.850 1406 V CB 1.031 32.906 31.823 0.086 0.000 0.987 1406 V HN 0.653 nan 8.190 nan 0.000 0.436 1407 A N 6.917 129.772 122.820 0.058 0.000 2.399 1407 A HA 0.560 4.880 4.320 0.000 0.000 0.327 1407 A C -0.220 177.421 177.584 0.095 0.000 1.367 1407 A CA -0.376 51.698 52.037 0.062 0.000 0.842 1407 A CB 0.644 19.675 19.000 0.052 0.000 1.142 1407 A HN 1.050 nan 8.150 nan 0.000 0.495 1408 L N 2.922 124.205 121.223 0.099 0.000 2.934 1408 L HA 0.220 4.560 4.340 0.000 0.000 0.233 1408 L C 0.290 177.248 176.870 0.146 0.000 1.358 1408 L CA -0.087 54.836 54.840 0.137 0.000 1.233 1408 L CB -0.331 41.796 42.059 0.114 0.000 1.594 1408 L HN 0.687 nan 8.230 nan 0.000 0.439 1413 A N 0.021 122.977 122.820 0.226 0.000 2.508 1413 A HA 0.431 4.751 4.320 0.000 0.000 0.250 1413 A C 0.856 178.373 177.584 -0.111 0.000 1.208 1413 A CA 0.038 52.078 52.037 0.005 0.000 0.960 1413 A CB 0.150 19.262 19.000 0.186 0.000 1.099 1413 A HN 0.055 nan 8.150 nan 0.000 0.542 1414 K N 0.293 120.655 120.400 -0.063 0.000 2.646 1414 K HA 0.377 4.697 4.320 0.000 0.000 0.206 1414 K C 1.019 177.539 176.600 -0.134 0.000 1.069 1414 K CA 0.196 56.413 56.287 -0.117 0.000 1.067 1414 K CB 0.676 33.157 32.500 -0.031 0.000 0.807 1414 K HN 0.503 nan 8.250 nan 0.000 0.482 1415 G N 0.930 109.624 108.800 -0.176 0.000 2.578 1415 G HA2 -0.401 3.559 3.960 0.000 0.000 0.313 1415 G HA3 -0.401 3.559 3.960 0.000 0.000 0.313 1415 G C 0.953 175.844 174.900 -0.014 0.000 1.324 1415 G CA 0.176 45.228 45.100 -0.080 0.000 0.955 1415 G HN 0.399 nan 8.290 nan 0.000 0.541 1416 G N -0.727 108.068 108.800 -0.008 0.000 2.448 1416 G HA2 -0.046 3.914 3.960 0.000 0.000 0.219 1416 G HA3 -0.046 3.914 3.960 0.000 0.000 0.219 1416 G C 1.425 176.322 174.900 -0.004 0.000 1.127 1416 G CA 1.611 46.714 45.100 0.004 0.000 0.766 1416 G HN 0.936 nan 8.290 nan 0.000 0.552 1417 E N 0.357 120.544 120.200 -0.023 0.000 2.049 1417 E HA -0.145 4.205 4.350 0.000 0.000 0.198 1417 E C 2.704 179.300 176.600 -0.006 0.000 1.007 1417 E CA 1.263 57.650 56.400 -0.022 0.000 0.809 1417 E CB -0.605 29.069 29.700 -0.042 0.000 0.749 1417 E HN 0.313 nan 8.360 nan 0.000 0.450 1418 G N 0.157 108.958 108.800 0.001 0.000 2.476 1418 G HA2 -0.273 3.687 3.960 0.000 0.000 0.218 1418 G HA3 -0.273 3.687 3.960 0.000 0.000 0.218 1418 G C 1.455 176.375 174.900 0.032 0.000 1.164 1418 G CA 0.882 45.999 45.100 0.027 0.000 0.768 1418 G HN 0.442 nan 8.290 nan 0.000 0.560 1419 G N -0.012 108.806 108.800 0.030 0.000 2.956 1419 G HA2 0.142 4.102 3.960 0.000 0.000 0.207 1419 G HA3 0.142 4.102 3.960 0.000 0.000 0.207 1419 G C 1.430 176.336 174.900 0.009 0.000 1.162 1419 G CA -0.154 44.961 45.100 0.025 0.000 0.796 1419 G HN 0.270 nan 8.290 nan 0.000 0.527 1420 L N 0.509 121.735 121.223 0.005 0.000 1.955 1420 L HA -0.090 4.250 4.340 0.000 0.000 0.213 1420 L C 2.636 179.500 176.870 -0.009 0.000 1.072 1420 L CA 1.921 56.760 54.840 -0.003 0.000 0.755 1420 L CB -1.158 40.898 42.059 -0.004 0.000 0.888 1420 L HN 0.367 nan 8.230 nan 0.000 0.432 1421 E N -0.509 119.686 120.200 -0.008 0.000 2.095 1421 E HA -0.331 4.019 4.350 0.000 0.000 0.212 1421 E C 2.026 178.612 176.600 -0.024 0.000 1.044 1421 E CA 2.059 58.449 56.400 -0.017 0.000 0.857 1421 E CB -0.309 29.380 29.700 -0.018 0.000 0.764 1421 E HN 0.242 nan 8.360 nan 0.000 0.462 1422 L N 0.744 121.956 121.223 -0.019 0.000 2.017 1422 L HA -0.159 4.181 4.340 0.000 0.000 0.208 1422 L C 2.209 179.060 176.870 -0.031 0.000 1.073 1422 L CA 2.266 57.093 54.840 -0.023 0.000 0.745 1422 L CB -0.904 41.148 42.059 -0.012 0.000 0.894 1422 L HN 0.116 nan 8.230 nan 0.000 0.432 1423 A N -0.152 122.651 122.820 -0.028 0.000 1.903 1423 A HA -0.311 4.009 4.320 0.000 0.000 0.219 1423 A C 2.417 179.967 177.584 -0.057 0.000 1.191 1423 A CA 2.384 54.395 52.037 -0.042 0.000 0.638 1423 A CB -0.669 18.314 19.000 -0.028 0.000 0.823 1423 A HN 0.581 nan 8.150 nan 0.000 0.451 1424 R N -0.989 119.485 120.500 -0.043 0.000 2.070 1424 R HA -0.137 4.203 4.340 0.000 0.000 0.233 1424 R C 2.375 178.645 176.300 -0.050 0.000 1.137 1424 R CA 1.676 57.749 56.100 -0.044 0.000 0.945 1424 R CB -0.324 29.958 30.300 -0.031 0.000 0.845 1424 R HN 0.497 nan 8.270 nan 0.000 0.430 1425 K N 0.768 121.141 120.400 -0.044 0.000 2.152 1425 K HA -0.110 4.210 4.320 0.000 0.000 0.206 1425 K C 1.827 178.399 176.600 -0.047 0.000 1.048 1425 K CA 1.026 57.288 56.287 -0.041 0.000 0.933 1425 K CB 0.012 32.489 32.500 -0.039 0.000 0.721 1425 K HN -0.018 nan 8.250 nan 0.000 0.447 1426 V N 0.668 120.547 119.914 -0.059 0.000 2.358 1426 V HA -0.211 3.909 4.120 0.000 0.000 0.246 1426 V C 2.209 178.244 176.094 -0.098 0.000 1.047 1426 V CA 1.603 63.860 62.300 -0.072 0.000 1.035 1426 V CB -0.408 31.365 31.823 -0.083 0.000 0.658 1426 V HN 0.265 nan 8.190 nan 0.000 0.452 1427 L N -0.482 120.667 121.223 -0.124 0.000 2.072 1427 L HA -0.188 4.152 4.340 0.000 0.000 0.205 1427 L C 2.703 179.526 176.870 -0.079 0.000 1.079 1427 L CA 1.617 56.370 54.840 -0.145 0.000 0.752 1427 L CB -0.475 41.489 42.059 -0.158 0.000 0.906 1427 L HN 0.361 nan 8.230 nan 0.000 0.436 1428 Q N -0.515 119.250 119.800 -0.058 0.000 2.152 1428 Q HA -0.264 4.076 4.340 0.000 0.000 0.206 1428 Q C 1.988 177.973 176.000 -0.026 0.000 0.985 1428 Q CA 2.450 58.231 55.803 -0.036 0.000 0.863 1428 Q CB 0.015 28.733 28.738 -0.032 0.000 0.904 1428 Q HN 0.609 nan 8.270 nan 0.000 0.422 1429 T N -2.369 112.168 114.554 -0.028 0.000 3.037 1429 T HA 0.003 4.353 4.350 0.000 0.000 0.252 1429 T C 1.317 176.011 174.700 -0.010 0.000 1.073 1429 T CA 0.195 62.287 62.100 -0.014 0.000 1.091 1429 T CB 0.085 68.947 68.868 -0.010 0.000 0.935 1429 T HN 0.235 nan 8.240 nan 0.000 0.488 1430 L N 0.935 122.143 121.223 -0.027 0.000 2.627 1430 L HA 0.474 4.814 4.340 0.000 0.000 0.232 1430 L C 1.672 178.535 176.870 -0.010 0.000 1.150 1430 L CA 0.782 55.610 54.840 -0.021 0.000 0.917 1430 L CB -0.518 41.507 42.059 -0.057 0.000 1.104 1430 L HN 0.464 nan 8.230 nan 0.000 0.445 1431 E N -2.015 118.179 120.200 -0.009 0.000 2.399 1431 E HA -0.026 4.324 4.350 0.000 0.000 0.206 1431 E C 1.752 178.357 176.600 0.009 0.000 0.812 1431 E CA 0.820 57.221 56.400 0.001 0.000 1.138 1431 E CB 0.226 29.921 29.700 -0.008 0.000 1.140 1431 E HN 0.495 nan 8.360 nan 0.000 0.536 1432 S N 0.026 115.729 115.700 0.006 0.000 2.468 1432 S HA 0.129 4.599 4.470 0.000 0.000 0.226 1432 S C 1.288 175.897 174.600 0.015 0.000 1.051 1432 S CA -0.235 57.971 58.200 0.009 0.000 0.943 1432 S CB -0.049 63.154 63.200 0.005 0.000 0.810 1432 S HN 0.032 nan 8.310 nan 0.000 0.509 1433 R N 3.757 124.267 120.500 0.016 0.000 2.230 1433 R HA 0.406 4.746 4.340 0.000 0.000 0.337 1433 R C -2.790 173.530 176.300 0.034 0.000 1.063 1433 R CA -2.042 54.072 56.100 0.024 0.000 0.935 1433 R CB 0.816 31.129 30.300 0.022 0.000 1.121 1433 R HN 0.296 nan 8.270 nan 0.000 0.486 1434 P HA 0.134 nan 4.420 nan 0.000 0.282 1434 P C -1.313 176.029 177.300 0.070 0.000 1.249 1434 P CA -0.405 62.727 63.100 0.053 0.000 0.806 1434 P CB 1.769 33.497 31.700 0.048 0.000 0.984 1435 S N 0.724 116.479 115.700 0.092 0.000 2.532 1435 S HA 0.420 4.890 4.470 0.000 0.000 0.299 1435 S C -0.588 174.106 174.600 0.157 0.000 1.105 1435 S CA -0.836 57.438 58.200 0.122 0.000 1.018 1435 S CB 0.928 64.211 63.200 0.139 0.000 1.021 1435 S HN 0.444 nan 8.310 nan 0.000 0.483 1436 N N 2.049 120.853 118.700 0.173 0.000 2.546 1436 N HA 0.356 5.096 4.740 0.000 0.000 0.238 1436 N C -1.382 174.311 175.510 0.305 0.000 0.984 1436 N CA -0.679 52.498 53.050 0.211 0.000 0.935 1436 N CB 0.287 38.867 38.487 0.155 0.000 1.122 1436 N HN 0.619 nan 8.380 nan 0.000 0.510 1437 F N 5.644 125.695 119.950 0.168 0.000 2.467 1437 F HA 0.264 4.791 4.527 -0.000 0.000 0.362 1437 F C -0.049 175.856 175.800 0.175 0.000 1.090 1437 F CA 0.007 58.082 58.000 0.125 0.000 1.202 1437 F CB 0.293 39.371 39.000 0.129 0.000 1.113 1437 F HN 0.562 nan 8.300 nan 0.000 0.541 1438 H N 4.737 123.510 119.070 -0.495 0.000 2.865 1438 H HA 0.463 5.019 4.556 0.000 0.000 0.362 1438 H C -1.198 173.859 175.328 -0.452 0.000 1.114 1438 H CA -1.293 54.592 56.048 -0.272 0.000 1.208 1438 H CB 0.339 30.016 29.762 -0.142 0.000 1.727 1438 H HN 0.482 nan 8.280 nan 0.000 0.534 1439 V N 1.984 121.807 119.914 -0.153 0.000 2.521 1439 V HA -0.015 4.105 4.120 0.000 0.000 0.286 1439 V C 1.683 177.749 176.094 -0.046 0.000 1.034 1439 V CA -0.681 61.575 62.300 -0.073 0.000 1.045 1439 V CB 0.631 32.434 31.823 -0.032 0.000 0.974 1439 V HN 0.739 nan 8.190 nan 0.000 0.480 1440 L N 4.969 126.163 121.223 -0.049 0.000 2.357 1440 L HA 0.004 4.344 4.340 0.000 0.000 0.220 1440 L C 0.550 177.485 176.870 0.109 0.000 1.123 1440 L CA 1.790 56.532 54.840 -0.163 0.000 0.782 1440 L CB -1.133 40.615 42.059 -0.519 0.000 0.910 1440 L HN 0.966 nan 8.230 nan 0.000 0.442 1441 Y N -3.814 116.508 120.300 0.036 0.000 2.889 1441 Y HA 0.543 5.093 4.550 0.000 0.000 0.317 1441 Y C -0.301 175.645 175.900 0.077 0.000 1.414 1441 Y CA -1.693 56.439 58.100 0.053 0.000 1.091 1441 Y CB 0.451 38.954 38.460 0.073 0.000 1.358 1441 Y HN -0.152 nan 8.280 nan 0.000 0.487 1442 N N 0.011 118.884 118.700 0.289 0.000 2.380 1442 N HA 0.257 4.997 4.740 0.000 0.000 0.290 1442 N C -0.781 174.864 175.510 0.225 0.000 1.236 1442 N CA -0.509 52.623 53.050 0.136 0.000 0.780 1442 N CB 2.391 40.949 38.487 0.118 0.000 1.438 1442 N HN 0.830 nan 8.380 nan 0.000 0.491 1443 L N 1.837 123.135 121.223 0.125 0.000 2.554 1443 L HA 0.185 4.525 4.340 0.000 0.000 0.226 1443 L C 0.689 177.642 176.870 0.139 0.000 1.137 1443 L CA 1.151 56.083 54.840 0.153 0.000 0.863 1443 L CB -0.130 41.991 42.059 0.105 0.000 0.985 1443 L HN 0.580 nan 8.230 nan 0.000 0.451 1444 D N -1.780 118.691 120.400 0.119 0.000 2.380 1444 D HA 0.105 4.745 4.640 0.000 0.000 0.212 1444 D C 0.734 177.092 176.300 0.096 0.000 1.021 1444 D CA -0.016 54.040 54.000 0.093 0.000 0.884 1444 D CB 0.198 41.039 40.800 0.068 0.000 1.001 1444 D HN 0.081 nan 8.370 nan 0.000 0.506 1445 L N 0.990 122.283 121.223 0.116 0.000 2.517 1445 L HA -0.041 4.299 4.340 0.000 0.000 0.294 1445 L C 0.969 177.894 176.870 0.091 0.000 1.264 1445 L CA 0.009 54.909 54.840 0.100 0.000 0.839 1445 L CB 0.074 42.205 42.059 0.120 0.000 1.098 1445 L HN 0.013 nan 8.230 nan 0.000 0.525 1446 S N 0.830 116.568 115.700 0.064 0.000 2.560 1446 S HA 0.114 4.584 4.470 0.000 0.000 0.284 1446 S C 1.394 176.033 174.600 0.064 0.000 1.327 1446 S CA -0.579 57.653 58.200 0.052 0.000 1.055 1446 S CB 0.323 63.536 63.200 0.021 0.000 0.868 1446 S HN 0.479 nan 8.310 nan 0.000 0.506 1447 I N 3.939 124.556 120.570 0.078 0.000 2.300 1447 I HA -0.268 3.902 4.170 0.000 0.000 0.252 1447 I C 2.377 178.549 176.117 0.092 0.000 1.119 1447 I CA 1.478 62.840 61.300 0.102 0.000 1.384 1447 I CB -0.344 37.738 38.000 0.136 0.000 1.062 1447 I HN 0.708 nan 8.210 nan 0.000 0.426 1448 K N 0.380 120.802 120.400 0.036 0.000 2.044 1448 K HA -0.108 4.212 4.320 0.000 0.000 0.204 1448 K C 1.602 178.248 176.600 0.078 0.000 1.049 1448 K CA 1.114 57.422 56.287 0.036 0.000 0.945 1448 K CB -0.128 32.251 32.500 -0.202 0.000 0.724 1448 K HN 0.295 nan 8.250 nan 0.000 0.440 1449 D N 1.153 121.576 120.400 0.040 0.000 2.311 1449 D HA -0.137 4.503 4.640 0.000 0.000 0.212 1449 D C 1.539 177.860 176.300 0.034 0.000 0.972 1449 D CA 1.115 55.141 54.000 0.044 0.000 0.887 1449 D CB 0.152 40.975 40.800 0.039 0.000 0.915 1449 D HN 0.234 nan 8.370 nan 0.000 0.497 1450 K N 0.245 120.654 120.400 0.015 0.000 2.044 1450 K HA 0.042 4.362 4.320 0.000 0.000 0.204 1450 K C 2.335 178.839 176.600 -0.159 0.000 1.049 1450 K CA 0.411 56.631 56.287 -0.112 0.000 0.945 1450 K CB 0.205 32.636 32.500 -0.115 0.000 0.724 1450 K HN 0.124 nan 8.250 nan 0.000 0.440 1451 I N 1.335 121.900 120.570 -0.008 0.000 2.315 1451 I HA -0.247 3.923 4.170 0.000 0.000 0.248 1451 I C 2.494 178.666 176.117 0.092 0.000 1.117 1451 I CA 0.706 62.041 61.300 0.058 0.000 1.404 1451 I CB -0.561 37.532 38.000 0.155 0.000 1.071 1451 I HN 0.126 nan 8.210 nan 0.000 0.419 1452 A N 1.674 124.558 122.820 0.106 0.000 1.862 1452 A HA -0.312 4.008 4.320 0.000 0.000 0.217 1452 A C 2.247 179.876 177.584 0.074 0.000 1.251 1452 A CA 2.207 54.307 52.037 0.105 0.000 0.673 1452 A CB -0.898 18.153 19.000 0.085 0.000 0.843 1452 A HN 0.313 nan 8.150 nan 0.000 0.458 1453 K N -0.711 119.709 120.400 0.034 0.000 2.293 1453 K HA -0.162 4.158 4.320 0.000 0.000 0.204 1453 K C 1.717 178.318 176.600 0.001 0.000 1.045 1453 K CA 1.506 57.801 56.287 0.014 0.000 0.933 1453 K CB -0.463 32.046 32.500 0.015 0.000 0.736 1453 K HN 0.647 nan 8.250 nan 0.000 0.463 1454 I N -0.090 120.488 120.570 0.013 0.000 2.584 1454 I HA -0.153 4.017 4.170 0.000 0.000 0.255 1454 I C 2.385 178.549 176.117 0.077 0.000 1.145 1454 I CA 0.552 61.856 61.300 0.008 0.000 1.462 1454 I CB -0.214 37.818 38.000 0.053 0.000 1.102 1454 I HN 0.090 nan 8.210 nan 0.000 0.433 1455 A N 0.759 123.751 122.820 0.287 0.000 1.897 1455 A HA -0.099 4.221 4.320 0.000 0.000 0.215 1455 A C 2.258 180.015 177.584 0.288 0.000 1.181 1455 A CA 1.840 54.173 52.037 0.493 0.000 0.620 1455 A CB -0.873 18.316 19.000 0.316 0.000 0.821 1455 A HN 0.322 nan 8.150 nan 0.000 0.443 1456 T N 0.456 115.095 114.554 0.141 0.000 2.393 1456 T HA -0.184 4.166 4.350 0.000 0.000 0.231 1456 T C 1.679 176.389 174.700 0.017 0.000 1.377 1456 T CA 1.604 63.742 62.100 0.063 0.000 1.375 1456 T CB -0.584 68.298 68.868 0.023 0.000 0.887 1456 T HN 0.585 nan 8.240 nan 0.000 0.386 1457 E N 0.363 120.543 120.200 -0.034 0.000 2.048 1457 E HA -0.153 4.197 4.350 0.000 0.000 0.202 1457 E C 2.363 178.907 176.600 -0.094 0.000 1.021 1457 E CA 1.342 57.695 56.400 -0.078 0.000 0.825 1457 E CB -0.289 29.344 29.700 -0.112 0.000 0.756 1457 E HN 0.310 nan 8.360 nan 0.000 0.454 1458 I N 0.172 120.665 120.570 -0.127 0.000 2.090 1458 I HA -0.247 3.923 4.170 0.000 0.000 0.236 1458 I C 2.390 178.437 176.117 -0.117 0.000 1.064 1458 I CA 1.666 62.870 61.300 -0.161 0.000 1.324 1458 I CB -1.471 36.339 38.000 -0.317 0.000 1.044 1458 I HN 0.131 nan 8.210 nan 0.000 0.399 1459 Y N 0.990 121.387 120.300 0.162 0.000 2.109 1459 Y HA 0.118 4.668 4.550 0.000 0.000 0.285 1459 Y C 2.084 178.089 175.900 0.175 0.000 1.131 1459 Y CA 1.030 59.266 58.100 0.225 0.000 1.121 1459 Y CB -0.997 37.595 38.460 0.219 0.000 0.987 1459 Y HN 0.402 nan 8.280 nan 0.000 0.495 1460 G N -1.260 107.730 108.800 0.317 0.000 2.148 1460 G HA2 0.086 4.046 3.960 0.000 0.000 0.120 1460 G HA3 0.086 4.046 3.960 0.000 0.000 0.120 1460 G C 0.051 174.979 174.900 0.046 0.000 1.034 1460 G CA -0.362 44.823 45.100 0.142 0.000 0.710 1460 G HN 0.572 nan 8.290 nan 0.000 0.495 1461 A N -0.099 122.904 122.820 0.306 0.000 2.257 1461 A HA 0.681 5.001 4.320 0.000 0.000 0.289 1461 A C 0.729 178.306 177.584 -0.012 0.000 1.095 1461 A CA 0.241 52.387 52.037 0.181 0.000 0.836 1461 A CB 0.573 19.874 19.000 0.502 0.000 1.111 1461 A HN 0.159 nan 8.150 nan 0.000 0.497 1462 D N -0.156 120.215 120.400 -0.049 0.000 2.462 1462 D HA 0.394 5.034 4.640 0.000 0.000 0.221 1462 D C 0.416 176.729 176.300 0.023 0.000 1.173 1462 D CA 1.042 55.019 54.000 -0.039 0.000 0.831 1462 D CB 0.543 41.292 40.800 -0.086 0.000 1.001 1462 D HN 0.900 nan 8.370 nan 0.000 0.499 1463 G N -0.323 108.521 108.800 0.072 0.000 2.358 1463 G HA2 0.311 4.271 3.960 0.000 0.000 0.301 1463 G HA3 0.311 4.271 3.960 0.000 0.000 0.301 1463 G C -1.864 173.103 174.900 0.113 0.000 1.539 1463 G CA -0.710 44.443 45.100 0.089 0.000 0.893 1463 G HN -0.032 nan 8.290 nan 0.000 0.636 1464 V N 0.975 120.967 119.914 0.130 0.000 2.531 1464 V HA 0.529 4.649 4.120 0.000 0.000 0.301 1464 V C -0.272 175.913 176.094 0.152 0.000 1.034 1464 V CA -1.074 61.286 62.300 0.100 0.000 0.865 1464 V CB 1.806 33.696 31.823 0.112 0.000 0.995 1464 V HN 0.759 nan 8.190 nan 0.000 0.424 1465 N N 2.875 121.583 118.700 0.013 0.000 2.472 1465 N HA 0.746 5.486 4.740 0.000 0.000 0.289 1465 N C -1.663 173.808 175.510 -0.065 0.000 1.156 1465 N CA -0.558 52.554 53.050 0.103 0.000 0.940 1465 N CB 1.400 39.919 38.487 0.052 0.000 1.200 1465 N HN 0.566 nan 8.380 nan 0.000 0.511 1466 Y N -0.703 119.605 120.300 0.013 0.000 2.421 1466 Y HA 0.343 4.893 4.550 0.000 0.000 0.339 1466 Y C 0.586 176.488 175.900 0.002 0.000 0.996 1466 Y CA -1.155 56.951 58.100 0.009 0.000 1.046 1466 Y CB 1.177 39.644 38.460 0.010 0.000 1.226 1466 Y HN 0.526 nan 8.280 nan 0.000 0.445 1467 T N -1.570 113.050 114.554 0.110 0.000 2.729 1467 T HA 0.501 4.851 4.350 0.000 0.000 0.298 1467 T C 1.478 176.214 174.700 0.060 0.000 1.013 1467 T CA -0.016 62.122 62.100 0.063 0.000 0.957 1467 T CB 0.871 69.755 68.868 0.026 0.000 1.130 1467 T HN 0.736 nan 8.240 nan 0.000 0.526 1468 A N 0.658 123.497 122.820 0.031 0.000 1.873 1468 A HA -0.149 4.171 4.320 0.000 0.000 0.218 1468 A C 2.238 179.827 177.584 0.009 0.000 1.193 1468 A CA 2.080 54.126 52.037 0.016 0.000 0.629 1468 A CB -1.331 17.672 19.000 0.005 0.000 0.826 1468 A HN 0.980 nan 8.150 nan 0.000 0.447 1469 E N 0.083 120.286 120.200 0.006 0.000 2.070 1469 E HA -0.174 4.176 4.350 0.000 0.000 0.197 1469 E C 2.272 178.872 176.600 -0.000 0.000 1.004 1469 E CA 1.182 57.579 56.400 -0.006 0.000 0.805 1469 E CB -0.452 29.246 29.700 -0.003 0.000 0.744 1469 E HN 0.618 nan 8.360 nan 0.000 0.451 1470 A N 2.090 124.934 122.820 0.040 0.000 1.858 1470 A HA -0.251 4.069 4.320 0.000 0.000 0.216 1470 A C 1.809 179.443 177.584 0.084 0.000 1.190 1470 A CA 1.960 54.053 52.037 0.093 0.000 0.617 1470 A CB -0.555 18.549 19.000 0.174 0.000 0.827 1470 A HN 0.101 nan 8.150 nan 0.000 0.443 1471 D N -0.168 120.273 120.400 0.068 0.000 2.116 1471 D HA -0.157 4.483 4.640 0.000 0.000 0.193 1471 D C 1.931 178.205 176.300 -0.044 0.000 0.998 1471 D CA 1.580 55.583 54.000 0.004 0.000 0.836 1471 D CB -0.302 40.496 40.800 -0.002 0.000 0.951 1471 D HN 0.511 nan 8.370 nan 0.000 0.449 1472 K N 0.509 120.875 120.400 -0.057 0.000 2.026 1472 K HA -0.076 4.244 4.320 0.000 0.000 0.208 1472 K C 2.188 178.681 176.600 -0.178 0.000 1.048 1472 K CA 1.150 57.379 56.287 -0.097 0.000 0.929 1472 K CB -0.169 32.277 32.500 -0.090 0.000 0.713 1472 K HN 0.042 nan 8.250 nan 0.000 0.439 1473 A N 1.924 124.606 122.820 -0.231 0.000 1.849 1473 A HA -0.229 4.091 4.320 0.000 0.000 0.217 1473 A C 2.141 179.360 177.584 -0.609 0.000 1.202 1473 A CA 1.725 53.457 52.037 -0.508 0.000 0.629 1473 A CB -0.910 17.855 19.000 -0.392 0.000 0.834 1473 A HN 0.212 nan 8.150 nan 0.000 0.447 1474 I N -0.626 119.804 120.570 -0.235 0.000 2.065 1474 I HA -0.432 3.738 4.170 0.000 0.000 0.236 1474 I C 2.878 178.974 176.117 -0.036 0.000 1.028 1474 I CA 2.358 63.643 61.300 -0.026 0.000 1.299 1474 I CB -0.736 37.279 38.000 0.025 0.000 1.015 1474 I HN 0.629 nan 8.210 nan 0.000 0.396 1475 Q N 1.068 120.832 119.800 -0.060 0.000 2.156 1475 Q HA -0.286 4.054 4.340 0.000 0.000 0.211 1475 Q C 2.338 178.320 176.000 -0.031 0.000 0.995 1475 Q CA 2.013 57.794 55.803 -0.035 0.000 0.877 1475 Q CB -0.069 28.639 28.738 -0.050 0.000 0.920 1475 Q HN 0.432 nan 8.270 nan 0.000 0.416 1476 R N -0.854 119.575 120.500 -0.118 0.000 2.070 1476 R HA -0.168 4.172 4.340 0.000 0.000 0.232 1476 R C 2.318 178.661 176.300 0.073 0.000 1.138 1476 R CA 1.789 57.833 56.100 -0.093 0.000 0.936 1476 R CB -0.575 29.578 30.300 -0.244 0.000 0.839 1476 R HN 0.353 nan 8.270 nan 0.000 0.429 1477 Y N 1.385 121.736 120.300 0.085 0.000 2.030 1477 Y HA -0.236 4.314 4.550 -0.000 0.000 0.274 1477 Y C 2.281 178.290 175.900 0.183 0.000 1.153 1477 Y CA 1.111 59.303 58.100 0.153 0.000 1.115 1477 Y CB -0.952 37.586 38.460 0.130 0.000 0.969 1477 Y HN 0.168 nan 8.280 nan 0.000 0.488 1478 E N -0.723 119.653 120.200 0.293 0.000 2.130 1478 E HA -0.213 4.137 4.350 0.000 0.000 0.196 1478 E C 2.372 179.055 176.600 0.139 0.000 0.998 1478 E CA 1.433 57.945 56.400 0.186 0.000 0.806 1478 E CB -0.293 29.481 29.700 0.123 0.000 0.738 1478 E HN 0.251 nan 8.360 nan 0.000 0.459 1479 S N -0.223 115.551 115.700 0.124 0.000 2.474 1479 S HA -0.067 4.403 4.470 0.000 0.000 0.235 1479 S C 1.530 176.198 174.600 0.114 0.000 0.997 1479 S CA 0.488 58.742 58.200 0.090 0.000 0.949 1479 S CB 0.142 63.379 63.200 0.062 0.000 0.766 1479 S HN 0.058 nan 8.310 nan 0.000 0.517 1480 L N 0.009 121.344 121.223 0.186 0.000 2.463 1480 L HA 0.442 4.782 4.340 0.000 0.000 0.219 1480 L C 1.948 178.892 176.870 0.124 0.000 1.088 1480 L CA 1.154 56.126 54.840 0.220 0.000 0.849 1480 L CB -0.169 42.129 42.059 0.399 0.000 1.012 1480 L HN 0.456 nan 8.230 nan 0.000 0.468 1481 G N -2.031 106.838 108.800 0.116 0.000 2.316 1481 G HA2 -0.292 3.668 3.960 0.000 0.000 0.203 1481 G HA3 -0.292 3.668 3.960 0.000 0.000 0.203 1481 G C 0.276 175.144 174.900 -0.054 0.000 0.999 1481 G CA -0.158 44.921 45.100 -0.034 0.000 0.649 1481 G HN 0.186 nan 8.290 nan 0.000 0.489 1482 Y N 2.408 122.747 120.300 0.066 0.000 3.127 1482 Y HA 0.408 4.958 4.550 0.000 0.000 0.387 1482 Y C 1.974 177.914 175.900 0.066 0.000 1.029 1482 Y CA 0.582 58.700 58.100 0.030 0.000 1.905 1482 Y CB -0.104 38.323 38.460 -0.056 0.000 2.007 1482 Y HN 0.271 nan 8.280 nan 0.000 0.435 1483 G N -0.354 108.550 108.800 0.174 0.000 2.762 1483 G HA2 -0.096 3.864 3.960 0.000 0.000 0.209 1483 G HA3 -0.096 3.864 3.960 0.000 0.000 0.209 1483 G C 0.999 175.978 174.900 0.132 0.000 1.134 1483 G CA -0.213 44.983 45.100 0.160 0.000 0.781 1483 G HN 0.290 nan 8.290 nan 0.000 0.528 1484 N N 1.259 120.022 118.700 0.104 0.000 2.466 1484 N HA 0.235 4.975 4.740 0.000 0.000 0.251 1484 N C -0.124 175.461 175.510 0.125 0.000 1.164 1484 N CA 0.144 53.255 53.050 0.101 0.000 0.888 1484 N CB 0.828 39.351 38.487 0.061 0.000 1.177 1484 N HN 0.271 nan 8.380 nan 0.000 0.498 1485 L N 0.173 121.490 121.223 0.157 0.000 2.331 1485 L HA 0.541 4.881 4.340 0.000 0.000 0.268 1485 L C -1.964 175.046 176.870 0.234 0.000 1.015 1485 L CA -1.903 53.046 54.840 0.181 0.000 0.807 1485 L CB 1.024 43.185 42.059 0.170 0.000 1.293 1485 L HN -0.191 nan 8.230 nan 0.000 0.451 1486 P HA 0.194 nan 4.420 nan 0.000 0.323 1486 P C -1.289 176.187 177.300 0.294 0.000 1.319 1486 P CA -0.226 63.093 63.100 0.365 0.000 0.741 1486 P CB 0.531 32.368 31.700 0.228 0.000 1.545 1487 V N -0.891 119.197 119.914 0.290 0.000 2.737 1487 V HA 0.146 4.266 4.120 0.000 0.000 0.298 1487 V C -0.760 175.429 176.094 0.157 0.000 1.163 1487 V CA -0.579 61.811 62.300 0.150 0.000 0.925 1487 V CB 2.044 33.886 31.823 0.032 0.000 1.037 1487 V HN 0.077 nan 8.190 nan 0.000 0.433 1488 V N 5.464 125.463 119.914 0.142 0.000 2.288 1488 V HA 0.349 4.469 4.120 0.000 0.000 0.266 1488 V C 0.492 176.680 176.094 0.157 0.000 1.048 1488 V CA -0.507 61.887 62.300 0.156 0.000 0.842 1488 V CB 1.125 33.028 31.823 0.133 0.000 1.064 1488 V HN 0.783 nan 8.190 nan 0.000 0.472 1489 M N 3.663 123.376 119.600 0.189 0.000 2.284 1489 M HA 0.103 4.583 4.480 0.000 0.000 0.351 1489 M C 0.889 177.278 176.300 0.148 0.000 1.443 1489 M CA 0.311 55.714 55.300 0.172 0.000 1.031 1489 M CB 0.365 33.130 32.600 0.274 0.000 1.893 1489 M HN 0.700 nan 8.290 nan 0.000 0.456 1490 A N 4.616 127.491 122.820 0.092 0.000 2.610 1490 A HA 0.150 4.470 4.320 0.000 0.000 0.286 1490 A C 0.690 178.296 177.584 0.037 0.000 1.306 1490 A CA -0.513 51.581 52.037 0.095 0.000 0.942 1490 A CB -0.240 18.812 19.000 0.087 0.000 1.112 1490 A HN 0.792 nan 8.150 nan 0.000 0.527 1491 K N -0.897 119.490 120.400 -0.021 0.000 2.132 1491 K HA 0.374 4.694 4.320 0.000 0.000 0.240 1491 K C 0.531 177.073 176.600 -0.097 0.000 1.036 1491 K CA -0.126 56.099 56.287 -0.104 0.000 0.888 1491 K CB 0.014 32.368 32.500 -0.243 0.000 1.071 1491 K HN -0.031 nan 8.250 nan 0.000 0.502 1492 T N -0.880 113.598 114.554 -0.126 0.000 2.652 1492 T HA -0.078 4.272 4.350 0.000 0.000 0.345 1492 T C 0.845 175.433 174.700 -0.186 0.000 1.051 1492 T CA 0.401 62.425 62.100 -0.127 0.000 1.021 1492 T CB 0.376 69.186 68.868 -0.097 0.000 1.141 1492 T HN 0.877 nan 8.240 nan 0.000 0.518 1493 Q N -0.690 118.988 119.800 -0.203 0.000 2.330 1493 Q HA 0.018 4.358 4.340 0.000 0.000 0.254 1493 Q C 1.441 177.309 176.000 -0.220 0.000 0.777 1493 Q CA 0.367 55.982 55.803 -0.314 0.000 0.972 1493 Q CB -0.445 27.814 28.738 -0.798 0.000 1.236 1493 Q HN 0.765 nan 8.270 nan 0.000 0.508 1494 Y N 2.508 122.654 120.300 -0.257 0.000 2.822 1494 Y HA 0.193 4.743 4.550 0.000 0.000 0.318 1494 Y C 0.593 176.396 175.900 -0.162 0.000 1.184 1494 Y CA 1.045 59.035 58.100 -0.183 0.000 1.371 1494 Y CB -0.008 38.355 38.460 -0.161 0.000 1.002 1494 Y HN 0.109 nan 8.280 nan 0.000 0.529 1495 S N -2.042 113.613 115.700 -0.074 0.000 2.548 1495 S HA 0.257 4.727 4.470 0.000 0.000 0.278 1495 S C 0.257 174.776 174.600 -0.134 0.000 1.150 1495 S CA -0.891 57.237 58.200 -0.120 0.000 0.907 1495 S CB -0.224 62.934 63.200 -0.070 0.000 1.108 1495 S HN 0.037 nan 8.310 nan 0.000 0.459 1496 F N 2.707 122.664 119.950 0.011 0.000 2.184 1496 F HA -0.072 4.456 4.527 0.000 0.000 0.301 1496 F C 1.913 177.660 175.800 -0.089 0.000 1.076 1496 F CA 1.492 59.541 58.000 0.082 0.000 1.295 1496 F CB -0.431 38.643 39.000 0.124 0.000 1.026 1496 F HN 0.624 nan 8.300 nan 0.000 0.494 1497 S N -0.310 115.273 115.700 -0.195 0.000 2.745 1497 S HA 0.249 4.719 4.470 0.000 0.000 0.292 1497 S C 0.745 175.139 174.600 -0.343 0.000 1.127 1497 S CA -0.165 57.727 58.200 -0.514 0.000 1.007 1497 S CB 1.189 63.749 63.200 -1.067 0.000 1.165 1497 S HN 0.217 nan 8.310 nan 0.000 0.544 1498 D N -0.788 119.413 120.400 -0.332 0.000 2.269 1498 D HA -0.028 4.612 4.640 0.000 0.000 0.208 1498 D C 0.035 176.230 176.300 -0.174 0.000 0.963 1498 D CA 0.308 54.173 54.000 -0.226 0.000 0.864 1498 D CB -0.521 40.162 40.800 -0.195 0.000 0.936 1498 D HN 0.457 nan 8.370 nan 0.000 0.505 1499 D N 1.145 121.435 120.400 -0.184 0.000 2.359 1499 D HA -0.037 4.603 4.640 0.000 0.000 0.273 1499 D C 1.363 177.597 176.300 -0.109 0.000 1.362 1499 D CA -0.025 53.898 54.000 -0.128 0.000 1.010 1499 D CB 0.289 41.023 40.800 -0.110 0.000 1.090 1499 D HN 0.387 nan 8.370 nan 0.000 0.521 1500 M N 1.383 120.918 119.600 -0.108 0.000 2.771 1500 M HA -0.098 4.382 4.480 0.000 0.000 0.246 1500 M C 0.923 177.164 176.300 -0.099 0.000 1.054 1500 M CA 1.139 56.373 55.300 -0.110 0.000 1.068 1500 M CB -0.290 32.204 32.600 -0.176 0.000 1.452 1500 M HN 0.131 nan 8.290 nan 0.000 0.549 1501 T N -3.439 111.070 114.554 -0.075 0.000 2.987 1501 T HA 0.223 4.573 4.350 0.000 0.000 0.248 1501 T C 0.638 175.324 174.700 -0.024 0.000 0.997 1501 T CA -0.374 61.692 62.100 -0.057 0.000 1.013 1501 T CB -0.028 68.808 68.868 -0.054 0.000 1.077 1501 T HN 0.408 nan 8.240 nan 0.000 0.483 1502 K N 2.049 122.440 120.400 -0.016 0.000 2.250 1502 K HA 0.286 4.606 4.320 0.000 0.000 0.277 1502 K C -0.823 175.812 176.600 0.058 0.000 1.091 1502 K CA -0.296 56.007 56.287 0.028 0.000 1.046 1502 K CB -0.029 32.484 32.500 0.022 0.000 0.982 1502 K HN 0.148 nan 8.250 nan 0.000 0.429 1503 L N 1.603 122.869 121.223 0.072 0.000 2.431 1503 L HA 0.403 4.743 4.340 0.000 0.000 0.260 1503 L C 1.261 178.276 176.870 0.241 0.000 1.098 1503 L CA 1.220 56.133 54.840 0.121 0.000 0.800 1503 L CB 1.007 43.076 42.059 0.017 0.000 1.210 1503 L HN 0.865 nan 8.230 nan 0.000 0.465 1504 G N 1.550 110.635 108.800 0.475 0.000 2.523 1504 G HA2 -0.304 3.656 3.960 0.000 0.000 0.271 1504 G HA3 -0.304 3.656 3.960 0.000 0.000 0.271 1504 G C 0.023 175.136 174.900 0.354 0.000 1.146 1504 G CA 0.345 45.658 45.100 0.356 0.000 0.961 1504 G HN 0.779 nan 8.290 nan 0.000 0.549 1505 R N 2.088 122.777 120.500 0.316 0.000 2.363 1505 R HA 0.487 4.827 4.340 0.000 0.000 0.297 1505 R C -2.333 174.121 176.300 0.257 0.000 1.208 1505 R CA -1.460 54.839 56.100 0.332 0.000 1.121 1505 R CB 1.389 31.722 30.300 0.054 0.000 1.124 1505 R HN 0.517 nan 8.270 nan 0.000 0.561 1506 P HA 0.125 nan 4.420 nan 0.000 0.271 1506 P C -1.082 176.473 177.300 0.425 0.000 1.218 1506 P CA -0.123 63.238 63.100 0.435 0.000 0.780 1506 P CB 1.079 33.059 31.700 0.468 0.000 0.901 1507 R N 1.733 122.329 120.500 0.161 0.000 2.725 1507 R HA 0.357 4.697 4.340 0.000 0.000 0.277 1507 R C 0.385 176.516 176.300 -0.282 0.000 0.987 1507 R CA -0.785 55.198 56.100 -0.195 0.000 0.901 1507 R CB 1.451 31.688 30.300 -0.104 0.000 1.207 1507 R HN 0.435 nan 8.270 nan 0.000 0.463 1508 N N -0.104 118.309 118.700 -0.479 0.000 2.946 1508 N HA -0.201 4.539 4.740 0.000 0.000 0.207 1508 N C 0.504 175.858 175.510 -0.260 0.000 0.906 1508 N CA 1.833 54.701 53.050 -0.303 0.000 1.035 1508 N CB -1.403 37.011 38.487 -0.121 0.000 0.998 1508 N HN 0.455 nan 8.380 nan 0.000 0.595 1509 F N 1.467 121.425 119.950 0.013 0.000 1.982 1509 F HA 0.468 4.995 4.527 0.000 0.000 0.235 1509 F C 1.132 176.939 175.800 0.011 0.000 1.047 1509 F CA 0.339 58.347 58.000 0.013 0.000 1.238 1509 F CB -0.838 38.173 39.000 0.019 0.000 1.840 1509 F HN -0.036 nan 8.300 nan 0.000 0.485 1510 T N -0.130 114.768 114.554 0.574 0.000 2.831 1510 T HA 0.441 4.791 4.350 0.000 0.000 0.333 1510 T C -1.435 173.378 174.700 0.189 0.000 1.684 1510 T CA -0.708 61.583 62.100 0.319 0.000 1.049 1510 T CB 1.480 70.436 68.868 0.145 0.000 1.518 1510 T HN 0.524 nan 8.240 nan 0.000 0.491 1511 I N 2.200 122.829 120.570 0.099 0.000 2.530 1511 I HA 0.549 4.719 4.170 0.000 0.000 0.297 1511 I C 0.051 176.122 176.117 -0.076 0.000 1.011 1511 I CA -0.538 60.742 61.300 -0.034 0.000 1.107 1511 I CB 1.897 39.852 38.000 -0.074 0.000 1.285 1511 I HN 0.619 nan 8.210 nan 0.000 0.436 1512 T N 4.583 119.067 114.554 -0.117 0.000 2.812 1512 T HA 0.293 4.643 4.350 0.000 0.000 0.282 1512 T C -0.348 174.230 174.700 -0.203 0.000 0.990 1512 T CA -0.453 61.559 62.100 -0.147 0.000 0.960 1512 T CB 2.268 71.087 68.868 -0.082 0.000 0.948 1512 T HN 0.377 nan 8.240 nan 0.000 0.438 1513 V N 5.923 125.635 119.914 -0.337 0.000 2.270 1513 V HA 0.285 4.405 4.120 0.000 0.000 0.263 1513 V C 1.296 177.293 176.094 -0.162 0.000 1.066 1513 V CA -0.374 61.750 62.300 -0.294 0.000 0.857 1513 V CB -0.198 31.341 31.823 -0.473 0.000 1.099 1513 V HN 0.815 nan 8.190 nan 0.000 0.476 1514 R N 3.134 123.580 120.500 -0.089 0.000 2.094 1514 R HA -0.093 4.247 4.340 0.000 0.000 0.239 1514 R C 1.044 177.339 176.300 -0.008 0.000 1.137 1514 R CA 2.147 58.224 56.100 -0.038 0.000 0.943 1514 R CB 0.248 30.529 30.300 -0.031 0.000 0.850 1514 R HN 0.846 nan 8.270 nan 0.000 0.433 1515 E N -1.121 119.079 120.200 -0.000 0.000 2.440 1515 E HA 0.487 4.837 4.350 0.000 0.000 0.263 1515 E C -1.615 175.023 176.600 0.063 0.000 0.938 1515 E CA -0.836 55.582 56.400 0.030 0.000 0.831 1515 E CB 2.324 32.042 29.700 0.029 0.000 1.456 1515 E HN -0.189 nan 8.360 nan 0.000 0.427 1516 V N 2.064 122.039 119.914 0.101 0.000 2.671 1516 V HA 0.317 4.437 4.120 0.000 0.000 0.292 1516 V C -1.234 175.023 176.094 0.272 0.000 1.115 1516 V CA -0.627 61.784 62.300 0.184 0.000 0.918 1516 V CB 1.676 33.640 31.823 0.236 0.000 1.036 1516 V HN 0.572 nan 8.190 nan 0.000 0.445 1517 R N 3.917 124.545 120.500 0.213 0.000 2.295 1517 R HA 0.580 4.920 4.340 0.000 0.000 0.324 1517 R C -0.730 175.614 176.300 0.074 0.000 0.968 1517 R CA -0.851 55.362 56.100 0.188 0.000 0.837 1517 R CB 2.288 32.652 30.300 0.106 0.000 1.133 1517 R HN 0.551 nan 8.270 nan 0.000 0.450 1518 L N 1.478 122.640 121.223 -0.101 0.000 2.290 1518 L HA 0.257 4.597 4.340 0.000 0.000 0.284 1518 L C -0.422 176.299 176.870 -0.249 0.000 1.078 1518 L CA 0.441 55.003 54.840 -0.463 0.000 0.815 1518 L CB 1.662 42.959 42.059 -1.270 0.000 1.162 1518 L HN 0.396 nan 8.230 nan 0.000 0.435 1519 S N 4.788 120.395 115.700 -0.155 0.000 2.512 1519 S HA 0.498 4.968 4.470 0.000 0.000 0.291 1519 S C 1.302 175.865 174.600 -0.062 0.000 1.151 1519 S CA -0.092 58.068 58.200 -0.066 0.000 1.120 1519 S CB 1.084 64.286 63.200 0.002 0.000 1.029 1519 S HN 0.976 nan 8.310 nan 0.000 0.485 1520 A N 2.877 125.630 122.820 -0.111 0.000 1.927 1520 A HA -0.084 4.236 4.320 0.000 0.000 0.220 1520 A C 1.786 179.401 177.584 0.051 0.000 1.185 1520 A CA 1.777 53.809 52.037 -0.008 0.000 0.639 1520 A CB -0.795 18.184 19.000 -0.035 0.000 0.820 1520 A HN 0.757 nan 8.150 nan 0.000 0.451 1521 G N -1.841 106.973 108.800 0.024 0.000 3.574 1521 G HA2 0.464 4.424 3.960 0.000 0.000 0.262 1521 G HA3 0.464 4.424 3.960 0.000 0.000 0.262 1521 G C 0.567 175.499 174.900 0.053 0.000 1.231 1521 G CA 0.693 45.817 45.100 0.040 0.000 1.608 1521 G HN 1.233 nan 8.290 nan 0.000 0.628 1522 G N 0.459 109.302 108.800 0.073 0.000 2.684 1522 G HA2 0.293 4.253 3.960 0.000 0.000 0.107 1522 G HA3 0.293 4.253 3.960 0.000 0.000 0.107 1522 G C 0.101 175.079 174.900 0.130 0.000 1.201 1522 G CA 0.253 45.419 45.100 0.110 0.000 1.113 1522 G HN 0.765 nan 8.290 nan 0.000 0.356 1523 R N -0.701 119.844 120.500 0.074 0.000 3.619 1523 R HA 0.763 5.103 4.340 0.000 0.000 0.259 1523 R C -1.338 174.984 176.300 0.038 0.000 1.069 1523 R CA -0.785 55.365 56.100 0.083 0.000 0.900 1523 R CB -0.483 29.873 30.300 0.094 0.000 1.600 1523 R HN 0.507 nan 8.270 nan 0.000 0.410 1524 L N 1.788 123.050 121.223 0.065 0.000 2.305 1524 L HA 0.576 4.916 4.340 0.000 0.000 0.284 1524 L C -0.547 176.374 176.870 0.085 0.000 1.013 1524 L CA -0.893 53.980 54.840 0.055 0.000 0.819 1524 L CB 1.459 43.579 42.059 0.101 0.000 1.227 1524 L HN 0.333 nan 8.230 nan 0.000 0.417 1525 I N 4.880 125.498 120.570 0.080 0.000 2.307 1525 I HA 0.213 4.383 4.170 0.000 0.000 0.289 1525 I C 0.141 176.320 176.117 0.103 0.000 1.021 1525 I CA -0.588 60.768 61.300 0.093 0.000 1.224 1525 I CB 1.403 39.450 38.000 0.079 0.000 1.376 1525 I HN 0.300 nan 8.210 nan 0.000 0.470 1526 V N 6.724 126.696 119.914 0.097 0.000 2.311 1526 V HA 0.581 4.701 4.120 0.000 0.000 0.275 1526 V C -2.493 173.623 176.094 0.035 0.000 1.022 1526 V CA -1.836 60.509 62.300 0.075 0.000 0.830 1526 V CB 1.110 32.977 31.823 0.073 0.000 1.012 1526 V HN 0.499 nan 8.190 nan 0.000 0.452 1527 P HA 0.406 nan 4.420 nan 0.000 0.286 1527 P C 0.207 177.482 177.300 -0.041 0.000 1.269 1527 P CA -0.354 62.748 63.100 0.003 0.000 0.787 1527 P CB 2.305 34.016 31.700 0.019 0.000 0.920 1528 I N 1.355 121.886 120.570 -0.064 0.000 3.172 1528 I HA 0.036 4.206 4.170 0.000 0.000 0.278 1528 I C 1.548 177.616 176.117 -0.083 0.000 1.174 1528 I CA 1.091 62.331 61.300 -0.100 0.000 1.445 1528 I CB -1.063 36.849 38.000 -0.146 0.000 1.175 1528 I HN 0.333 nan 8.210 nan 0.000 0.447 1529 T N -1.072 113.442 114.554 -0.067 0.000 2.675 1529 T HA 0.497 4.847 4.350 0.000 0.000 0.241 1529 T C 0.916 175.596 174.700 -0.034 0.000 0.949 1529 T CA -0.162 61.904 62.100 -0.058 0.000 1.077 1529 T CB 0.362 69.188 68.868 -0.071 0.000 1.797 1529 T HN 0.125 nan 8.240 nan 0.000 0.551 1530 G N 0.184 108.966 108.800 -0.031 0.000 3.882 1530 G HA2 0.480 4.440 3.960 0.000 0.000 0.283 1530 G HA3 0.480 4.440 3.960 0.000 0.000 0.283 1530 G C 0.570 175.470 174.900 0.001 0.000 1.283 1530 G CA -0.137 44.954 45.100 -0.016 0.000 1.402 1530 G HN 0.910 nan 8.290 nan 0.000 0.618 1531 A N 0.494 123.321 122.820 0.012 0.000 2.543 1531 A HA 0.346 4.666 4.320 0.000 0.000 0.258 1531 A C 1.209 178.837 177.584 0.073 0.000 1.391 1531 A CA -0.225 51.841 52.037 0.049 0.000 1.066 1531 A CB -0.294 18.738 19.000 0.053 0.000 0.972 1531 A HN 0.529 nan 8.150 nan 0.000 0.560 1532 I N -0.891 119.707 120.570 0.046 0.000 3.861 1532 I HA 0.189 4.359 4.170 0.000 0.000 0.329 1532 I C 0.974 177.115 176.117 0.040 0.000 1.321 1532 I CA -0.163 61.159 61.300 0.035 0.000 1.126 1532 I CB 0.058 38.067 38.000 0.015 0.000 1.018 1532 I HN 0.373 nan 8.210 nan 0.000 0.407 1533 M N 1.703 121.348 119.600 0.075 0.000 3.593 1533 M HA 0.020 4.500 4.480 0.000 0.000 0.204 1533 M C 0.912 177.291 176.300 0.131 0.000 1.569 1533 M CA 0.459 55.812 55.300 0.090 0.000 1.694 1533 M CB -0.880 31.780 32.600 0.101 0.000 1.149 1533 M HN 0.190 nan 8.290 nan 0.000 0.552 1534 T N 0.267 114.844 114.554 0.037 0.000 3.332 1534 T HA 0.398 4.748 4.350 0.000 0.000 0.246 1534 T C 0.206 174.879 174.700 -0.045 0.000 0.943 1534 T CA -0.398 61.658 62.100 -0.072 0.000 0.922 1534 T CB -0.418 68.351 68.868 -0.165 0.000 1.086 1534 T HN 0.535 nan 8.240 nan 0.000 0.590 1535 M N 1.573 121.203 119.600 0.049 0.000 2.528 1535 M HA 0.328 4.808 4.480 0.000 0.000 0.173 1535 M C -3.206 173.138 176.300 0.074 0.000 0.930 1535 M CA -1.765 53.566 55.300 0.052 0.000 0.802 1535 M CB 1.837 34.450 32.600 0.023 0.000 2.774 1535 M HN -0.013 nan 8.290 nan 0.000 0.391 1536 P HA 0.575 nan 4.420 nan 0.000 0.274 1536 P C -0.067 177.263 177.300 0.051 0.000 1.256 1536 P CA -0.098 63.050 63.100 0.080 0.000 0.795 1536 P CB 0.822 32.577 31.700 0.092 0.000 1.038 1537 G N 0.385 109.208 108.800 0.039 0.000 2.590 1537 G HA2 0.558 4.518 3.960 0.000 0.000 0.310 1537 G HA3 0.558 4.518 3.960 0.000 0.000 0.310 1537 G C -0.867 174.048 174.900 0.026 0.000 1.347 1537 G CA -0.678 44.437 45.100 0.025 0.000 0.963 1537 G HN 0.345 nan 8.290 nan 0.000 0.494 1538 L N 2.298 123.536 121.223 0.025 0.000 2.483 1538 L HA 0.246 4.586 4.340 0.000 0.000 0.276 1538 L C -1.530 175.352 176.870 0.019 0.000 1.213 1538 L CA -1.129 53.728 54.840 0.029 0.000 0.843 1538 L CB 0.481 42.557 42.059 0.029 0.000 1.107 1538 L HN 0.356 nan 8.230 nan 0.000 0.487 1539 P HA 0.218 nan 4.420 nan 0.000 0.332 1539 P C -0.107 177.199 177.300 0.011 0.000 1.298 1539 P CA -0.816 62.291 63.100 0.012 0.000 0.755 1539 P CB 0.635 32.342 31.700 0.012 0.000 1.465 1540 K N -0.769 119.635 120.400 0.007 0.000 2.418 1540 K HA 0.086 4.406 4.320 0.000 0.000 0.195 1540 K C 0.387 176.993 176.600 0.010 0.000 1.035 1540 K CA 0.622 56.912 56.287 0.006 0.000 1.003 1540 K CB 0.210 32.711 32.500 0.002 0.000 0.793 1540 K HN 0.139 nan 8.250 nan 0.000 0.494 1541 R N 1.816 122.324 120.500 0.013 0.000 2.564 1541 R HA 0.262 4.602 4.340 0.000 0.000 0.282 1541 R C -2.674 173.640 176.300 0.023 0.000 1.573 1541 R CA -1.721 54.389 56.100 0.016 0.000 1.588 1541 R CB 1.505 31.812 30.300 0.012 0.000 1.154 1541 R HN 0.075 nan 8.270 nan 0.000 0.606 1542 P HA 0.133 nan 4.420 nan 0.000 0.279 1542 P C 0.269 177.603 177.300 0.057 0.000 1.239 1542 P CA -0.089 63.040 63.100 0.050 0.000 0.789 1542 P CB 1.361 33.095 31.700 0.057 0.000 0.933 1543 A N 2.700 125.558 122.820 0.062 0.000 2.216 1543 A HA -0.000 4.320 4.320 0.000 0.000 0.214 1543 A C 1.932 179.575 177.584 0.099 0.000 1.160 1543 A CA 1.597 53.663 52.037 0.048 0.000 0.725 1543 A CB -1.178 17.822 19.000 0.000 0.000 0.784 1543 A HN 0.561 nan 8.150 nan 0.000 0.472 1544 A N -1.199 121.718 122.820 0.162 0.000 1.929 1544 A HA -0.090 4.230 4.320 0.000 0.000 0.216 1544 A C 2.097 179.750 177.584 0.115 0.000 1.176 1544 A CA 1.450 53.615 52.037 0.214 0.000 0.628 1544 A CB -1.000 18.113 19.000 0.189 0.000 0.816 1544 A HN 0.564 nan 8.150 nan 0.000 0.444 1545 C N -0.150 119.195 119.300 0.074 0.000 2.456 1545 C HA 0.050 4.510 4.460 0.000 0.000 0.279 1545 C C 2.128 177.145 174.990 0.045 0.000 1.427 1545 C CA 0.817 59.864 59.018 0.048 0.000 1.778 1545 C CB -1.214 26.546 27.740 0.033 0.000 1.842 1545 C HN 0.599 nan 8.230 nan 0.000 0.531 1546 N N 0.230 118.961 118.700 0.051 0.000 2.205 1546 N HA 0.288 5.028 4.740 0.000 0.000 0.201 1546 N C -0.083 175.452 175.510 0.042 0.000 1.128 1546 N CA 0.131 53.204 53.050 0.039 0.000 0.867 1546 N CB 0.317 38.821 38.487 0.028 0.000 0.996 1546 N HN 0.454 nan 8.380 nan 0.000 0.503 1547 I N 0.679 121.288 120.570 0.066 0.000 2.365 1547 I HA 0.182 4.352 4.170 0.000 0.000 0.291 1547 I C -0.077 176.084 176.117 0.072 0.000 1.004 1547 I CA -0.172 61.169 61.300 0.070 0.000 1.311 1547 I CB 1.226 39.292 38.000 0.111 0.000 1.401 1547 I HN -0.129 nan 8.210 nan 0.000 0.491 1548 D N 6.530 126.963 120.400 0.055 0.000 2.570 1548 D HA 0.467 5.107 4.640 0.000 0.000 0.244 1548 D C -1.481 174.848 176.300 0.047 0.000 1.178 1548 D CA -0.479 53.551 54.000 0.051 0.000 0.881 1548 D CB 3.153 43.975 40.800 0.037 0.000 1.453 1548 D HN 0.433 nan 8.370 nan 0.000 0.447 1549 I N 2.244 122.841 120.570 0.046 0.000 2.503 1549 I HA 0.152 4.322 4.170 0.000 0.000 0.282 1549 I C -0.163 175.975 176.117 0.035 0.000 1.059 1549 I CA -0.604 60.722 61.300 0.043 0.000 1.081 1549 I CB 1.149 39.182 38.000 0.054 0.000 1.210 1549 I HN 0.305 nan 8.210 nan 0.000 0.450 1550 D N 5.082 125.499 120.400 0.029 0.000 2.405 1550 D HA -0.078 4.562 4.640 0.000 0.000 0.232 1550 D C 1.158 177.472 176.300 0.024 0.000 1.240 1550 D CA 0.796 54.811 54.000 0.024 0.000 0.881 1550 D CB 1.473 42.286 40.800 0.021 0.000 1.222 1550 D HN 0.720 nan 8.370 nan 0.000 0.482 1551 A N 2.441 125.273 122.820 0.020 0.000 2.272 1551 A HA -0.165 4.155 4.320 0.000 0.000 0.213 1551 A C 0.918 178.513 177.584 0.019 0.000 1.183 1551 A CA 1.617 53.666 52.037 0.019 0.000 0.719 1551 A CB -0.077 18.932 19.000 0.016 0.000 0.771 1551 A HN 0.586 nan 8.150 nan 0.000 0.484 1552 D N -2.571 117.841 120.400 0.021 0.000 3.195 1552 D HA 0.417 5.057 4.640 0.000 0.000 0.245 1552 D C 0.891 177.206 176.300 0.025 0.000 1.462 1552 D CA 1.030 55.042 54.000 0.021 0.000 1.259 1552 D CB 0.005 40.815 40.800 0.018 0.000 1.199 1552 D HN 0.367 nan 8.370 nan 0.000 0.345 1553 G N -0.142 108.673 108.800 0.025 0.000 2.692 1553 G HA2 0.496 4.456 3.960 0.000 0.000 0.291 1553 G HA3 0.496 4.456 3.960 0.000 0.000 0.291 1553 G C -0.740 174.176 174.900 0.027 0.000 1.423 1553 G CA -0.692 44.425 45.100 0.028 0.000 0.843 1553 G HN 0.092 nan 8.290 nan 0.000 0.486 1554 V N 0.527 120.459 119.914 0.030 0.000 2.992 1554 V HA 0.090 4.210 4.120 0.000 0.000 0.294 1554 V C 0.607 176.711 176.094 0.017 0.000 1.254 1554 V CA 0.843 63.159 62.300 0.026 0.000 1.359 1554 V CB 0.550 32.386 31.823 0.022 0.000 0.914 1554 V HN 0.746 nan 8.190 nan 0.000 0.519 1555 I N 2.857 123.436 120.570 0.015 0.000 2.649 1555 I HA 0.387 4.557 4.170 0.000 0.000 0.289 1555 I C 0.321 176.441 176.117 0.005 0.000 1.222 1555 I CA -0.002 61.304 61.300 0.010 0.000 1.046 1555 I CB 1.959 39.968 38.000 0.015 0.000 1.272 1555 I HN 0.837 nan 8.210 nan 0.000 0.425 1556 T N 3.553 118.105 114.554 -0.003 0.000 5.377 1556 T HA -0.135 4.215 4.350 0.000 0.000 0.273 1556 T C 0.629 175.308 174.700 -0.035 0.000 2.061 1556 T CA 0.997 63.090 62.100 -0.011 0.000 3.492 1556 T CB -1.791 67.077 68.868 -0.000 0.000 1.062 1556 T HN 1.087 nan 8.240 nan 0.000 1.051 1557 G N 0.000 108.775 108.800 -0.041 0.000 5.446 1557 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 1557 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1557 G CA 0.000 45.053 45.100 -0.078 0.000 0.502 1557 G HN 0.000 nan 8.290 nan 0.000 0.925