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 1eg7_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 RVIDLNERAL RNIVIGLGGK ANGVPRETGF DISVASEVMA DATA SEQUENCE CLCLASDLMD LKERFSRKVV 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 0.000 176.081 176.117 -0.060 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 2.217 122.385 120.200 -0.054 0.000 2.160 1009 E HA -0.176 4.174 4.350 0.000 0.000 0.195 1009 E C 1.654 178.184 176.600 -0.117 0.000 0.991 1009 E CA 1.905 58.240 56.400 -0.108 0.000 0.810 1009 E CB 0.359 30.027 29.700 -0.054 0.000 0.742 1009 E HN 0.739 nan 8.360 nan 0.000 0.466 1010 I N 0.436 120.961 120.570 -0.075 0.000 2.353 1010 I HA -0.194 3.976 4.170 0.000 0.000 0.248 1010 I C 2.244 178.315 176.117 -0.076 0.000 1.119 1010 I CA 0.945 62.204 61.300 -0.068 0.000 1.417 1010 I CB -0.090 37.883 38.000 -0.045 0.000 1.078 1010 I HN -0.020 nan 8.210 nan 0.000 0.421 1011 A N -0.029 122.747 122.820 -0.072 0.000 2.148 1011 A HA -0.248 4.072 4.320 0.000 0.000 0.222 1011 A C 1.840 179.367 177.584 -0.095 0.000 1.161 1011 A CA 1.193 53.190 52.037 -0.067 0.000 0.662 1011 A CB -0.590 18.376 19.000 -0.057 0.000 0.799 1011 A HN 0.574 nan 8.150 nan 0.000 0.466 1012 Q N 0.061 119.772 119.800 -0.148 0.000 2.380 1012 Q HA 0.266 4.606 4.340 0.000 0.000 0.254 1012 Q C -0.145 175.767 176.000 -0.148 0.000 0.927 1012 Q CA 0.434 56.114 55.803 -0.205 0.000 0.950 1012 Q CB -0.711 27.803 28.738 -0.373 0.000 1.206 1012 Q HN 0.524 nan 8.270 nan 0.000 0.414 1013 A N 0.511 123.273 122.820 -0.097 0.000 2.478 1013 A HA 0.670 4.990 4.320 0.000 0.000 0.327 1013 A C -0.438 177.108 177.584 -0.062 0.000 1.431 1013 A CA -0.132 51.861 52.037 -0.073 0.000 1.014 1013 A CB 0.315 19.285 19.000 -0.049 0.000 1.143 1013 A HN 0.256 nan 8.150 nan 0.000 0.532 1014 A N 2.485 125.263 122.820 -0.071 0.000 2.513 1014 A HA 0.666 4.986 4.320 0.000 0.000 0.296 1014 A C -0.128 177.416 177.584 -0.067 0.000 1.052 1014 A CA -0.862 51.144 52.037 -0.052 0.000 0.714 1014 A CB 0.569 19.551 19.000 -0.030 0.000 1.279 1014 A HN 1.187 nan 8.150 nan 0.000 0.397 1015 K N 1.467 121.829 120.400 -0.063 0.000 4.771 1015 K HA -0.181 4.139 4.320 0.000 0.000 0.393 1015 K C -0.345 176.180 176.600 -0.124 0.000 0.791 1015 K CA 1.296 57.537 56.287 -0.077 0.000 0.923 1015 K CB -1.197 31.283 32.500 -0.032 0.000 1.987 1015 K HN 0.685 nan 8.250 nan 0.000 0.311 1016 M N 2.966 122.417 119.600 -0.248 0.000 2.679 1016 M HA 0.423 4.903 4.480 0.000 0.000 0.287 1016 M C 0.047 176.223 176.300 -0.207 0.000 1.202 1016 M CA -0.597 54.493 55.300 -0.350 0.000 0.911 1016 M CB 1.620 33.745 32.600 -0.791 0.000 1.556 1016 M HN 0.280 nan 8.290 nan 0.000 0.511 1017 K N 0.783 121.148 120.400 -0.059 0.000 2.482 1017 K HA 0.393 4.713 4.320 0.000 0.000 0.251 1017 K C -2.602 174.190 176.600 0.319 0.000 0.936 1017 K CA -1.810 54.575 56.287 0.162 0.000 0.791 1017 K CB 1.857 34.407 32.500 0.083 0.000 1.213 1017 K HN 0.176 nan 8.250 nan 0.000 0.428 1018 P HA -0.140 nan 4.420 nan 0.000 0.238 1018 P C 0.894 178.280 177.300 0.142 0.000 1.090 1018 P CA 0.291 63.502 63.100 0.186 0.000 0.944 1018 P CB 0.123 31.867 31.700 0.073 0.000 0.881 1019 V N 3.429 123.444 119.914 0.169 0.000 2.428 1019 V HA -0.324 3.797 4.120 0.000 0.000 0.255 1019 V C 2.266 178.409 176.094 0.081 0.000 1.080 1019 V CA 1.733 64.108 62.300 0.125 0.000 1.083 1019 V CB -0.837 31.065 31.823 0.132 0.000 0.665 1019 V HN 0.564 nan 8.190 nan 0.000 0.461 1020 M N -0.378 119.258 119.600 0.059 0.000 2.149 1020 M HA -0.197 4.283 4.480 0.000 0.000 0.261 1020 M C 2.149 178.472 176.300 0.038 0.000 1.064 1020 M CA 1.994 57.318 55.300 0.041 0.000 1.102 1020 M CB -0.928 31.685 32.600 0.021 0.000 1.369 1020 M HN 0.607 nan 8.290 nan 0.000 0.408 1021 E N -0.055 120.171 120.200 0.043 0.000 2.031 1021 E HA -0.206 4.144 4.350 0.000 0.000 0.193 1021 E C 2.083 178.703 176.600 0.034 0.000 0.994 1021 E CA 1.415 57.837 56.400 0.037 0.000 0.800 1021 E CB -0.167 29.560 29.700 0.046 0.000 0.752 1021 E HN 0.549 nan 8.360 nan 0.000 0.447 1022 L N 0.648 121.897 121.223 0.043 0.000 2.043 1022 L HA -0.210 4.130 4.340 0.000 0.000 0.212 1022 L C 2.795 179.677 176.870 0.020 0.000 1.075 1022 L CA 1.240 56.099 54.840 0.032 0.000 0.752 1022 L CB -0.743 41.343 42.059 0.044 0.000 0.891 1022 L HN 0.224 nan 8.230 nan 0.000 0.432 1023 A N 0.248 123.088 122.820 0.033 0.000 1.978 1023 A HA -0.217 4.103 4.320 0.000 0.000 0.220 1023 A C 2.420 180.014 177.584 0.017 0.000 1.170 1023 A CA 1.753 53.808 52.037 0.030 0.000 0.636 1023 A CB -0.443 18.586 19.000 0.048 0.000 0.810 1023 A HN 0.399 nan 8.150 nan 0.000 0.448 1024 R N -0.981 119.529 120.500 0.017 0.000 2.055 1024 R HA 0.017 4.357 4.340 0.000 0.000 0.226 1024 R C 1.797 178.099 176.300 0.003 0.000 1.135 1024 R CA 0.779 56.885 56.100 0.010 0.000 0.959 1024 R CB -0.601 29.706 30.300 0.012 0.000 0.854 1024 R HN 0.429 nan 8.270 nan 0.000 0.431 1025 G N 0.784 109.587 108.800 0.004 0.000 3.263 1025 G HA2 0.179 4.139 3.960 0.000 0.000 0.246 1025 G HA3 0.179 4.139 3.960 0.000 0.000 0.246 1025 G C 0.407 175.300 174.900 -0.013 0.000 0.982 1025 G CA 0.109 45.208 45.100 -0.002 0.000 1.897 1025 G HN 0.145 nan 8.290 nan 0.000 0.624 1026 L N -1.735 119.477 121.223 -0.017 0.000 4.127 1026 L HA 0.363 4.703 4.340 0.000 0.000 0.417 1026 L C 1.350 178.203 176.870 -0.029 0.000 0.966 1026 L CA 1.364 56.184 54.840 -0.033 0.000 1.651 1026 L CB -0.013 42.019 42.059 -0.045 0.000 2.127 1026 L HN 0.548 nan 8.230 nan 0.000 0.623 1027 G N 1.122 109.913 108.800 -0.015 0.000 2.135 1027 G HA2 -0.167 3.793 3.960 0.000 0.000 0.183 1027 G HA3 -0.167 3.793 3.960 0.000 0.000 0.183 1027 G C 0.077 174.975 174.900 -0.002 0.000 1.004 1027 G CA 0.068 45.161 45.100 -0.011 0.000 0.677 1027 G HN 0.254 nan 8.290 nan 0.000 0.512 1028 I N 1.391 121.964 120.570 0.005 0.000 2.342 1028 I HA 0.249 4.419 4.170 0.000 0.000 0.291 1028 I C 0.947 177.076 176.117 0.020 0.000 1.010 1028 I CA -0.661 60.650 61.300 0.019 0.000 1.308 1028 I CB 1.064 39.084 38.000 0.033 0.000 1.400 1028 I HN 0.129 nan 8.210 nan 0.000 0.488 1029 Q N 4.640 124.452 119.800 0.020 0.000 2.330 1029 Q HA -0.056 4.284 4.340 0.000 0.000 0.279 1029 Q C 1.181 177.194 176.000 0.021 0.000 1.024 1029 Q CA 0.125 55.938 55.803 0.017 0.000 0.900 1029 Q CB 1.029 29.776 28.738 0.016 0.000 1.221 1029 Q HN 0.644 nan 8.270 nan 0.000 0.396 1030 E N 2.483 122.693 120.200 0.017 0.000 2.130 1030 E HA -0.270 4.080 4.350 0.000 0.000 0.196 1030 E C 0.756 177.368 176.600 0.020 0.000 0.998 1030 E CA 1.701 58.112 56.400 0.018 0.000 0.806 1030 E CB 0.104 29.811 29.700 0.011 0.000 0.738 1030 E HN 0.733 nan 8.360 nan 0.000 0.459 1031 D N 0.145 120.556 120.400 0.018 0.000 2.358 1031 D HA -0.121 4.519 4.640 0.000 0.000 0.241 1031 D C 0.115 176.431 176.300 0.026 0.000 1.094 1031 D CA 0.487 54.498 54.000 0.018 0.000 0.907 1031 D CB -0.152 40.657 40.800 0.014 0.000 0.893 1031 D HN 0.399 nan 8.370 nan 0.000 0.528 1032 E N -0.286 119.934 120.200 0.033 0.000 2.995 1032 E HA 0.293 4.643 4.350 0.000 0.000 0.203 1032 E C -0.896 175.736 176.600 0.054 0.000 0.980 1032 E CA -0.275 56.152 56.400 0.045 0.000 1.172 1032 E CB 1.504 31.233 29.700 0.048 0.000 1.088 1032 E HN -0.008 nan 8.360 nan 0.000 0.463 1033 V N 1.176 121.119 119.914 0.048 0.000 2.733 1033 V HA 0.272 4.392 4.120 0.000 0.000 0.306 1033 V C -0.968 175.158 176.094 0.054 0.000 1.084 1033 V CA -0.757 61.577 62.300 0.057 0.000 0.905 1033 V CB 2.465 34.321 31.823 0.054 0.000 1.010 1033 V HN 0.159 nan 8.190 nan 0.000 0.424 1034 E N 4.145 124.392 120.200 0.078 0.000 2.216 1034 E HA 0.590 4.941 4.350 0.000 0.000 0.260 1034 E C -1.231 175.460 176.600 0.151 0.000 0.880 1034 E CA -0.539 55.914 56.400 0.088 0.000 0.765 1034 E CB 1.349 31.116 29.700 0.111 0.000 1.174 1034 E HN 0.616 nan 8.360 nan 0.000 0.417 1035 L N 3.684 124.954 121.223 0.079 0.000 2.453 1035 L HA 0.246 4.586 4.340 0.000 0.000 0.261 1035 L C -0.475 176.456 176.870 0.100 0.000 1.179 1035 L CA -0.415 54.486 54.840 0.102 0.000 0.813 1035 L CB 0.431 42.497 42.059 0.011 0.000 1.110 1035 L HN 0.699 nan 8.230 nan 0.000 0.466 1036 Y N 0.900 121.155 120.300 -0.075 0.000 2.501 1036 Y HA 0.487 5.037 4.550 -0.000 0.000 0.331 1036 Y C 0.620 176.475 175.900 -0.075 0.000 0.950 1036 Y CA -0.015 58.034 58.100 -0.086 0.000 1.120 1036 Y CB 0.947 39.326 38.460 -0.135 0.000 1.154 1036 Y HN 0.810 nan 8.280 nan 0.000 0.630 1037 G N 0.612 109.418 108.800 0.009 0.000 2.466 1037 G HA2 -0.163 3.797 3.960 0.000 0.000 0.316 1037 G HA3 -0.163 3.797 3.960 0.000 0.000 0.316 1037 G C 0.269 175.115 174.900 -0.091 0.000 1.270 1037 G CA -0.745 44.332 45.100 -0.038 0.000 0.982 1037 G HN 0.040 nan 8.290 nan 0.000 0.506 1038 K N -0.487 119.768 120.400 -0.241 0.000 2.367 1038 K HA 0.245 4.566 4.320 0.000 0.000 0.194 1038 K C 0.925 177.319 176.600 -0.343 0.000 1.027 1038 K CA 0.679 56.748 56.287 -0.362 0.000 1.075 1038 K CB 0.459 32.608 32.500 -0.586 0.000 0.845 1038 K HN 0.614 nan 8.250 nan 0.000 0.529 1039 Y N 0.550 120.871 120.300 0.035 0.000 2.660 1039 Y HA 0.272 4.822 4.550 0.000 0.000 0.254 1039 Y C -0.234 175.688 175.900 0.036 0.000 1.176 1039 Y CA -0.597 57.527 58.100 0.039 0.000 1.195 1039 Y CB 0.826 39.310 38.460 0.041 0.000 1.190 1039 Y HN -0.288 nan 8.280 nan 0.000 0.535 1040 K N 0.918 121.398 120.400 0.133 0.000 2.557 1040 K HA 0.781 5.101 4.320 0.000 0.000 0.257 1040 K C -1.436 175.178 176.600 0.023 0.000 0.933 1040 K CA -0.687 55.617 56.287 0.028 0.000 0.820 1040 K CB 2.453 34.893 32.500 -0.099 0.000 1.330 1040 K HN 0.007 nan 8.250 nan 0.000 0.432 1041 A N 2.219 125.027 122.820 -0.021 0.000 2.608 1041 A HA 0.558 4.878 4.320 0.000 0.000 0.292 1041 A C -1.574 175.981 177.584 -0.047 0.000 1.066 1041 A CA -0.919 51.136 52.037 0.031 0.000 0.676 1041 A CB 1.397 20.449 19.000 0.086 0.000 1.277 1041 A HN 0.542 nan 8.150 nan 0.000 0.413 1042 K N 0.303 120.690 120.400 -0.022 0.000 2.106 1042 K HA 0.747 5.067 4.320 0.000 0.000 0.246 1042 K C -1.075 175.534 176.600 0.016 0.000 0.987 1042 K CA -0.457 55.783 56.287 -0.078 0.000 0.904 1042 K CB 1.556 34.006 32.500 -0.083 0.000 1.071 1042 K HN 0.566 nan 8.250 nan 0.000 0.453 1043 I N 0.701 121.274 120.570 0.005 0.000 2.465 1043 I HA 0.086 4.256 4.170 0.000 0.000 0.291 1043 I C 0.215 176.368 176.117 0.059 0.000 1.014 1043 I CA -0.627 60.722 61.300 0.082 0.000 1.093 1043 I CB 2.065 40.188 38.000 0.206 0.000 1.267 1043 I HN 0.527 nan 8.210 nan 0.000 0.431 1044 S N 4.051 119.792 115.700 0.069 0.000 2.568 1044 S HA 0.135 4.605 4.470 0.000 0.000 0.282 1044 S C 0.829 175.481 174.600 0.086 0.000 1.338 1044 S CA -0.336 57.902 58.200 0.064 0.000 1.045 1044 S CB 0.516 63.752 63.200 0.059 0.000 0.873 1044 S HN 0.460 nan 8.310 nan 0.000 0.516 1045 L N 3.582 124.854 121.223 0.081 0.000 2.675 1045 L HA 0.121 4.461 4.340 0.000 0.000 0.238 1045 L C 1.612 178.563 176.870 0.135 0.000 1.155 1045 L CA 1.002 55.906 54.840 0.108 0.000 0.881 1045 L CB -0.532 41.575 42.059 0.079 0.000 1.008 1045 L HN 0.628 nan 8.230 nan 0.000 0.443 1046 D N -1.322 119.141 120.400 0.104 0.000 2.213 1046 D HA -0.050 4.591 4.640 0.000 0.000 0.205 1046 D C 2.294 178.650 176.300 0.092 0.000 0.961 1046 D CA 0.705 54.758 54.000 0.088 0.000 0.853 1046 D CB 0.343 41.179 40.800 0.059 0.000 0.967 1046 D HN 0.139 nan 8.370 nan 0.000 0.496 1047 V N 1.245 121.224 119.914 0.108 0.000 2.282 1047 V HA -0.304 3.816 4.120 0.000 0.000 0.249 1047 V C 2.231 178.391 176.094 0.110 0.000 1.057 1047 V CA 1.655 64.015 62.300 0.099 0.000 1.032 1047 V CB -0.681 31.215 31.823 0.122 0.000 0.645 1047 V HN 0.184 nan 8.190 nan 0.000 0.447 1048 Y N 1.099 121.431 120.300 0.055 0.000 2.060 1048 Y HA -0.228 4.322 4.550 0.000 0.000 0.276 1048 Y C 2.862 178.785 175.900 0.039 0.000 1.127 1048 Y CA 2.275 60.407 58.100 0.053 0.000 1.104 1048 Y CB -0.533 37.971 38.460 0.072 0.000 0.983 1048 Y HN -0.030 nan 8.280 nan 0.000 0.483 1049 R N 1.501 122.057 120.500 0.094 0.000 2.198 1049 R HA -0.271 4.069 4.340 0.000 0.000 0.258 1049 R C 2.249 178.483 176.300 -0.110 0.000 1.173 1049 R CA 2.482 58.571 56.100 -0.018 0.000 0.991 1049 R CB -0.596 29.763 30.300 0.098 0.000 0.879 1049 R HN 0.708 nan 8.270 nan 0.000 0.460 1050 R N -0.542 119.914 120.500 -0.074 0.000 2.080 1050 R HA 0.050 4.390 4.340 0.000 0.000 0.222 1050 R C 1.833 178.067 176.300 -0.111 0.000 1.107 1050 R CA 0.875 56.934 56.100 -0.069 0.000 0.980 1050 R CB -0.495 29.787 30.300 -0.029 0.000 0.879 1050 R HN 0.183 nan 8.270 nan 0.000 0.439 1051 L N 1.824 122.962 121.223 -0.141 0.000 2.715 1051 L HA 0.219 4.559 4.340 0.000 0.000 0.238 1051 L C 1.851 178.556 176.870 -0.275 0.000 1.212 1051 L CA -0.019 54.730 54.840 -0.152 0.000 1.017 1051 L CB -0.027 41.973 42.059 -0.099 0.000 1.269 1051 L HN 0.292 nan 8.230 nan 0.000 0.452 1052 K N 0.452 120.638 120.400 -0.356 0.000 2.147 1052 K HA -0.184 4.136 4.320 0.000 0.000 0.205 1052 K C 1.003 177.457 176.600 -0.243 0.000 1.049 1052 K CA 1.604 57.605 56.287 -0.476 0.000 0.936 1052 K CB 0.301 32.589 32.500 -0.352 0.000 0.722 1052 K HN 0.302 nan 8.250 nan 0.000 0.446 1053 D N 0.290 120.601 120.400 -0.150 0.000 2.327 1053 D HA -0.018 4.622 4.640 0.000 0.000 0.205 1053 D C 0.028 176.284 176.300 -0.073 0.000 0.989 1053 D CA 0.355 54.303 54.000 -0.087 0.000 0.873 1053 D CB 0.151 40.914 40.800 -0.062 0.000 0.955 1053 D HN -0.014 nan 8.370 nan 0.000 0.515 1054 K N 2.381 122.730 120.400 -0.085 0.000 2.559 1054 K HA 0.029 4.349 4.320 0.000 0.000 0.279 1054 K C -2.177 174.387 176.600 -0.059 0.000 0.967 1054 K CA -0.871 55.376 56.287 -0.067 0.000 1.000 1054 K CB -0.501 31.957 32.500 -0.070 0.000 0.890 1054 K HN 0.124 nan 8.250 nan 0.000 0.501 1055 P HA 0.040 nan 4.420 nan 0.000 0.271 1055 P C -0.466 176.798 177.300 -0.060 0.000 1.220 1055 P CA -0.102 62.969 63.100 -0.049 0.000 0.768 1055 P CB 0.632 32.303 31.700 -0.049 0.000 0.848 1056 D N 1.668 122.035 120.400 -0.055 0.000 2.372 1056 D HA 0.245 4.885 4.640 0.000 0.000 0.243 1056 D C 1.216 177.458 176.300 -0.098 0.000 1.297 1056 D CA 0.299 54.256 54.000 -0.072 0.000 0.958 1056 D CB 0.513 41.264 40.800 -0.081 0.000 1.114 1056 D HN 0.433 nan 8.370 nan 0.000 0.496 1057 G N -0.563 108.165 108.800 -0.121 0.000 2.857 1057 G HA2 0.361 4.321 3.960 0.000 0.000 0.217 1057 G HA3 0.361 4.321 3.960 0.000 0.000 0.217 1057 G C -0.120 174.721 174.900 -0.097 0.000 1.357 1057 G CA -0.340 44.669 45.100 -0.151 0.000 1.033 1057 G HN 0.114 nan 8.290 nan 0.000 0.571 1058 K N -0.868 119.512 120.400 -0.034 0.000 2.090 1058 K HA 0.577 4.897 4.320 0.000 0.000 0.249 1058 K C -1.150 175.476 176.600 0.043 0.000 0.995 1058 K CA -0.724 55.606 56.287 0.071 0.000 0.914 1058 K CB 1.795 34.464 32.500 0.282 0.000 1.057 1058 K HN 0.185 nan 8.250 nan 0.000 0.462 1059 L N 1.908 123.144 121.223 0.021 0.000 2.356 1059 L HA 0.453 4.793 4.340 0.000 0.000 0.277 1059 L C -0.832 176.056 176.870 0.031 0.000 0.996 1059 L CA -0.177 54.668 54.840 0.008 0.000 0.822 1059 L CB 1.022 43.062 42.059 -0.033 0.000 1.256 1059 L HN 0.499 nan 8.230 nan 0.000 0.413 1060 I N 6.265 126.850 120.570 0.025 0.000 2.621 1060 I HA 0.196 4.366 4.170 0.000 0.000 0.276 1060 I C -0.623 175.462 176.117 -0.054 0.000 1.118 1060 I CA -0.698 60.597 61.300 -0.008 0.000 1.159 1060 I CB 1.216 39.206 38.000 -0.017 0.000 1.357 1060 I HN 0.392 nan 8.210 nan 0.000 0.513 1061 L N 7.050 128.214 121.223 -0.098 0.000 2.515 1061 L HA 0.215 4.555 4.340 0.000 0.000 0.281 1061 L C 0.037 176.755 176.870 -0.253 0.000 1.131 1061 L CA 0.431 55.089 54.840 -0.304 0.000 0.905 1061 L CB 0.693 42.399 42.059 -0.588 0.000 1.246 1061 L HN 0.342 nan 8.230 nan 0.000 0.463 1062 V N 5.978 125.764 119.914 -0.213 0.000 2.775 1062 V HA 0.558 4.678 4.120 0.000 0.000 0.299 1062 V C 0.311 176.273 176.094 -0.220 0.000 1.062 1062 V CA 0.719 62.921 62.300 -0.163 0.000 1.063 1062 V CB 1.382 33.139 31.823 -0.111 0.000 0.994 1062 V HN 1.025 nan 8.190 nan 0.000 0.483 1063 T N 3.645 118.090 114.554 -0.181 0.000 2.598 1063 T HA 0.873 5.223 4.350 0.000 0.000 0.289 1063 T C -0.769 173.830 174.700 -0.169 0.000 1.056 1063 T CA 0.082 62.058 62.100 -0.207 0.000 1.088 1063 T CB 1.496 70.222 68.868 -0.237 0.000 1.519 1063 T HN 1.729 nan 8.240 nan 0.000 0.488 1064 A N -0.038 122.655 122.820 -0.211 0.000 2.536 1064 A HA 0.745 5.065 4.320 0.000 0.000 0.293 1064 A C -0.146 177.233 177.584 -0.340 0.000 1.119 1064 A CA -0.472 51.445 52.037 -0.200 0.000 0.654 1064 A CB -0.024 18.889 19.000 -0.145 0.000 1.291 1064 A HN 1.097 nan 8.150 nan 0.000 0.439 1065 I N -1.704 118.729 120.570 -0.228 0.000 2.926 1065 I HA 0.403 4.573 4.170 0.000 0.000 0.198 1065 I C 0.250 176.253 176.117 -0.191 0.000 1.339 1065 I CA -0.223 60.961 61.300 -0.193 0.000 0.659 1065 I CB -0.286 37.739 38.000 0.041 0.000 1.805 1065 I HN 0.428 nan 8.210 nan 0.000 0.995 1066 T N 3.460 118.024 114.554 0.017 0.000 2.729 1066 T HA 0.296 4.646 4.350 0.000 0.000 0.296 1066 T C -2.269 172.441 174.700 0.016 0.000 0.928 1066 T CA -0.855 61.208 62.100 -0.063 0.000 1.045 1066 T CB 0.316 69.063 68.868 -0.201 0.000 0.902 1066 T HN 0.481 nan 8.240 nan 0.000 0.500 1067 P HA 0.048 nan 4.420 nan 0.000 0.266 1067 P C -0.321 176.897 177.300 -0.137 0.000 1.186 1067 P CA 0.099 63.076 63.100 -0.206 0.000 0.767 1067 P CB 0.377 31.826 31.700 -0.420 0.000 0.820 1068 T N -2.412 112.083 114.554 -0.099 0.000 2.889 1068 T HA 0.413 4.764 4.350 0.000 0.000 0.315 1068 T C -2.608 172.064 174.700 -0.048 0.000 1.291 1068 T CA -1.730 60.328 62.100 -0.070 0.000 1.028 1068 T CB 1.410 70.153 68.868 -0.209 0.000 1.235 1068 T HN 0.217 nan 8.240 nan 0.000 0.491 1069 P HA 0.268 nan 4.420 nan 0.000 0.286 1069 P C 0.599 177.848 177.300 -0.086 0.000 1.577 1069 P CA -0.077 63.004 63.100 -0.033 0.000 0.805 1069 P CB -0.566 31.117 31.700 -0.027 0.000 1.706 1070 A N -0.489 122.259 122.820 -0.120 0.000 2.074 1070 A HA 0.597 4.917 4.320 0.000 0.000 0.200 1070 A C 0.990 178.441 177.584 -0.222 0.000 1.335 1070 A CA 0.615 52.547 52.037 -0.176 0.000 0.922 1070 A CB 0.037 18.925 19.000 -0.187 0.000 0.972 1070 A HN 0.341 nan 8.150 nan 0.000 0.475 1071 G N 0.721 109.417 108.800 -0.173 0.000 3.084 1071 G HA2 0.231 4.191 3.960 0.000 0.000 0.543 1071 G HA3 0.231 4.191 3.960 0.000 0.000 0.543 1071 G C -0.204 174.610 174.900 -0.143 0.000 1.239 1071 G CA 0.126 45.121 45.100 -0.175 0.000 1.190 1071 G HN 0.290 nan 8.290 nan 0.000 0.549 1072 E N 1.882 122.019 120.200 -0.106 0.000 1.997 1072 E HA 0.398 4.748 4.350 0.000 0.000 0.196 1072 E C 1.965 178.521 176.600 -0.072 0.000 0.990 1072 E CA 1.482 57.831 56.400 -0.084 0.000 0.845 1072 E CB -0.236 29.415 29.700 -0.083 0.000 0.795 1072 E HN 2.177 nan 8.360 nan 0.000 0.479 1073 G N -0.001 108.762 108.800 -0.061 0.000 2.159 1073 G HA2 -0.283 3.677 3.960 0.000 0.000 0.170 1073 G HA3 -0.283 3.677 3.960 0.000 0.000 0.170 1073 G C 0.802 175.687 174.900 -0.026 0.000 1.007 1073 G CA 0.324 45.403 45.100 -0.035 0.000 0.672 1073 G HN 0.239 nan 8.290 nan 0.000 0.507 1074 K N -0.017 120.354 120.400 -0.048 0.000 1.987 1074 K HA -0.144 4.176 4.320 0.000 0.000 0.216 1074 K C 2.555 179.126 176.600 -0.049 0.000 1.051 1074 K CA 2.451 58.701 56.287 -0.062 0.000 0.942 1074 K CB -0.341 32.108 32.500 -0.085 0.000 0.722 1074 K HN 0.319 nan 8.250 nan 0.000 0.444 1075 T N 0.318 114.847 114.554 -0.042 0.000 2.674 1075 T HA -0.119 4.231 4.350 0.000 0.000 0.265 1075 T C 1.859 176.559 174.700 -0.000 0.000 1.039 1075 T CA 1.855 63.936 62.100 -0.031 0.000 1.150 1075 T CB -0.542 68.305 68.868 -0.035 0.000 0.864 1075 T HN 0.381 nan 8.240 nan 0.000 0.427 1076 T N 2.211 116.782 114.554 0.029 0.000 2.544 1076 T HA -0.170 4.181 4.350 0.000 0.000 0.264 1076 T C 2.196 176.931 174.700 0.058 0.000 1.096 1076 T CA 2.001 64.144 62.100 0.072 0.000 1.181 1076 T CB -1.095 67.858 68.868 0.143 0.000 0.864 1076 T HN 0.382 nan 8.240 nan 0.000 0.415 1077 T N 1.897 116.481 114.554 0.050 0.000 2.896 1077 T HA -0.123 4.227 4.350 0.000 0.000 0.270 1077 T C 2.205 176.912 174.700 0.012 0.000 1.104 1077 T CA 1.297 63.418 62.100 0.035 0.000 1.115 1077 T CB -0.405 68.474 68.868 0.019 0.000 0.843 1077 T HN 0.320 nan 8.240 nan 0.000 0.523 1078 S N 0.269 115.970 115.700 0.001 0.000 2.395 1078 S HA 0.011 4.481 4.470 0.000 0.000 0.225 1078 S C 2.257 176.861 174.600 0.006 0.000 1.027 1078 S CA 0.535 58.729 58.200 -0.010 0.000 0.965 1078 S CB -0.073 63.112 63.200 -0.025 0.000 0.812 1078 S HN 0.373 nan 8.310 nan 0.000 0.482 1079 V N 1.528 121.452 119.914 0.017 0.000 2.426 1079 V HA 0.068 4.188 4.120 0.000 0.000 0.242 1079 V C 2.666 178.779 176.094 0.031 0.000 1.036 1079 V CA 1.536 63.851 62.300 0.025 0.000 1.044 1079 V CB -1.524 30.314 31.823 0.026 0.000 0.688 1079 V HN 0.526 nan 8.190 nan 0.000 0.462 1080 G N 0.364 109.189 108.800 0.042 0.000 2.485 1080 G HA2 -0.275 3.685 3.960 0.000 0.000 0.221 1080 G HA3 -0.275 3.685 3.960 0.000 0.000 0.221 1080 G C 1.589 176.508 174.900 0.031 0.000 1.115 1080 G CA 1.390 46.519 45.100 0.050 0.000 0.751 1080 G HN 0.442 nan 8.290 nan 0.000 0.567 1081 L N 0.406 121.640 121.223 0.019 0.000 2.095 1081 L HA 0.122 4.462 4.340 0.000 0.000 0.204 1081 L C 2.864 179.733 176.870 -0.002 0.000 1.080 1081 L CA 2.279 57.120 54.840 0.001 0.000 0.759 1081 L CB -0.759 41.294 42.059 -0.011 0.000 0.914 1081 L HN 0.117 nan 8.230 nan 0.000 0.439 1082 T N -0.254 114.304 114.554 0.008 0.000 2.746 1082 T HA -0.161 4.189 4.350 0.000 0.000 0.267 1082 T C 1.421 176.132 174.700 0.018 0.000 1.039 1082 T CA 1.541 63.651 62.100 0.016 0.000 1.142 1082 T CB -0.343 68.539 68.868 0.025 0.000 0.866 1082 T HN 0.386 nan 8.240 nan 0.000 0.444 1083 D N 1.327 121.739 120.400 0.020 0.000 2.088 1083 D HA -0.055 4.585 4.640 0.000 0.000 0.191 1083 D C 2.445 178.753 176.300 0.013 0.000 0.992 1083 D CA 1.489 55.501 54.000 0.020 0.000 0.831 1083 D CB -0.726 40.090 40.800 0.026 0.000 0.973 1083 D HN 0.360 nan 8.370 nan 0.000 0.447 1084 A N 1.163 123.988 122.820 0.007 0.000 1.884 1084 A HA -0.205 4.115 4.320 0.000 0.000 0.219 1084 A C 2.384 179.962 177.584 -0.011 0.000 1.197 1084 A CA 1.438 53.473 52.037 -0.003 0.000 0.637 1084 A CB -1.082 17.914 19.000 -0.006 0.000 0.827 1084 A HN 0.301 nan 8.150 nan 0.000 0.450 1085 L N -0.863 120.348 121.223 -0.019 0.000 1.971 1085 L HA -0.246 4.094 4.340 0.000 0.000 0.215 1085 L C 2.926 179.802 176.870 0.009 0.000 1.072 1085 L CA 1.803 56.622 54.840 -0.035 0.000 0.758 1085 L CB -0.491 41.537 42.059 -0.052 0.000 0.889 1085 L HN 0.443 nan 8.230 nan 0.000 0.433 1086 A N -0.633 122.205 122.820 0.031 0.000 2.067 1086 A HA -0.241 4.079 4.320 0.000 0.000 0.219 1086 A C 2.245 179.846 177.584 0.028 0.000 1.158 1086 A CA 1.456 53.519 52.037 0.044 0.000 0.661 1086 A CB -0.561 18.462 19.000 0.038 0.000 0.801 1086 A HN 0.464 nan 8.150 nan 0.000 0.452 1087 R N -0.646 119.863 120.500 0.016 0.000 2.316 1087 R HA 0.128 4.468 4.340 0.000 0.000 0.202 1087 R C 0.350 176.655 176.300 0.008 0.000 1.029 1087 R CA 0.501 56.607 56.100 0.009 0.000 1.018 1087 R CB -0.226 30.076 30.300 0.003 0.000 0.888 1087 R HN 0.486 nan 8.270 nan 0.000 0.471 1088 L N 0.223 121.453 121.223 0.010 0.000 3.034 1088 L HA 0.323 4.663 4.340 0.000 0.000 0.245 1088 L C 0.428 177.314 176.870 0.027 0.000 1.295 1088 L CA -0.155 54.690 54.840 0.009 0.000 1.068 1088 L CB 0.807 42.862 42.059 -0.006 0.000 1.426 1088 L HN 0.303 nan 8.230 nan 0.000 0.531 1089 G N 0.732 109.550 108.800 0.030 0.000 2.371 1089 G HA2 -0.245 3.715 3.960 0.000 0.000 0.299 1089 G HA3 -0.245 3.715 3.960 0.000 0.000 0.299 1089 G C 0.026 174.964 174.900 0.064 0.000 1.014 1089 G CA 0.273 45.394 45.100 0.036 0.000 1.097 1089 G HN 0.255 nan 8.290 nan 0.000 0.512 1090 K N -0.682 119.772 120.400 0.089 0.000 2.328 1090 K HA 0.458 4.778 4.320 0.000 0.000 0.246 1090 K C 0.211 176.880 176.600 0.115 0.000 0.955 1090 K CA -1.226 55.162 56.287 0.168 0.000 0.817 1090 K CB 1.700 34.382 32.500 0.303 0.000 1.208 1090 K HN 0.257 nan 8.250 nan 0.000 0.432 1091 R N 1.693 122.226 120.500 0.056 0.000 2.408 1091 R HA 0.300 4.640 4.340 0.000 0.000 0.308 1091 R C -0.868 175.432 176.300 0.000 0.000 1.210 1091 R CA -0.221 55.867 56.100 -0.019 0.000 1.115 1091 R CB 0.170 30.411 30.300 -0.098 0.000 1.127 1091 R HN 0.308 nan 8.270 nan 0.000 0.523 1092 V N 4.933 124.879 119.914 0.053 0.000 3.007 1092 V HA 0.560 4.680 4.120 0.000 0.000 0.311 1092 V C -0.817 175.286 176.094 0.015 0.000 1.120 1092 V CA -0.745 61.597 62.300 0.071 0.000 0.980 1092 V CB 2.471 34.387 31.823 0.154 0.000 1.033 1092 V HN 0.718 nan 8.190 nan 0.000 0.429 1093 M N 3.674 123.274 119.600 -0.000 0.000 2.788 1093 M HA 0.721 5.201 4.480 0.000 0.000 0.291 1093 M C -1.579 174.734 176.300 0.022 0.000 1.213 1093 M CA -0.992 54.294 55.300 -0.024 0.000 0.768 1093 M CB 2.413 34.942 32.600 -0.119 0.000 1.766 1093 M HN 0.394 nan 8.290 nan 0.000 0.460 1094 V N 0.129 120.072 119.914 0.048 0.000 2.577 1094 V HA 0.329 4.449 4.120 0.000 0.000 0.303 1094 V C -1.244 174.939 176.094 0.149 0.000 1.042 1094 V CA -0.822 61.526 62.300 0.079 0.000 0.872 1094 V CB 1.573 33.436 31.823 0.067 0.000 0.998 1094 V HN 0.914 nan 8.190 nan 0.000 0.423 1095 C N 6.579 125.970 119.300 0.152 0.000 2.248 1095 C HA 0.609 5.069 4.460 0.000 0.000 0.320 1095 C C 0.514 175.578 174.990 0.124 0.000 1.065 1095 C CA -0.544 58.600 59.018 0.209 0.000 1.558 1095 C CB -1.354 26.530 27.740 0.241 0.000 1.787 1095 C HN 0.750 nan 8.230 nan 0.000 0.426 1096 L N 1.821 123.099 121.223 0.092 0.000 2.635 1096 L HA 0.642 4.982 4.340 0.000 0.000 0.250 1096 L C 0.431 177.296 176.870 -0.008 0.000 1.117 1096 L CA -0.918 53.935 54.840 0.021 0.000 0.834 1096 L CB 0.523 42.580 42.059 -0.003 0.000 1.544 1096 L HN 0.424 nan 8.230 nan 0.000 0.511 1097 R N -0.014 120.450 120.500 -0.060 0.000 2.637 1097 R HA 0.301 4.641 4.340 0.000 0.000 0.291 1097 R C -0.900 175.320 176.300 -0.132 0.000 0.963 1097 R CA -0.727 55.319 56.100 -0.090 0.000 0.901 1097 R CB 1.966 32.199 30.300 -0.110 0.000 1.160 1097 R HN 0.453 nan 8.270 nan 0.000 0.457 1098 E N 4.669 124.779 120.200 -0.150 0.000 2.259 1098 E HA 0.163 4.513 4.350 0.000 0.000 0.281 1098 E C -1.951 174.553 176.600 -0.159 0.000 1.037 1098 E CA -1.892 54.370 56.400 -0.230 0.000 0.854 1098 E CB 0.838 30.395 29.700 -0.238 0.000 1.051 1098 E HN 0.265 nan 8.360 nan 0.000 0.409 1099 P HA -0.019 nan 4.420 nan 0.000 0.274 1099 P C -0.407 176.851 177.300 -0.071 0.000 1.231 1099 P CA -0.401 62.636 63.100 -0.105 0.000 0.790 1099 P CB 1.391 33.025 31.700 -0.110 0.000 0.951 1100 S N 1.069 116.754 115.700 -0.024 0.000 2.579 1100 S HA 0.001 4.471 4.470 0.000 0.000 0.275 1100 S C 1.229 175.835 174.600 0.009 0.000 1.345 1100 S CA -0.582 57.624 58.200 0.009 0.000 1.031 1100 S CB -0.196 63.039 63.200 0.057 0.000 0.892 1100 S HN 0.444 nan 8.310 nan 0.000 0.529 1101 L N 5.521 126.763 121.223 0.032 0.000 2.109 1101 L HA 0.257 4.597 4.340 0.000 0.000 0.207 1101 L C 2.285 179.250 176.870 0.159 0.000 1.086 1101 L CA 2.359 57.244 54.840 0.076 0.000 0.760 1101 L CB -1.463 40.650 42.059 0.091 0.000 0.910 1101 L HN 0.924 nan 8.230 nan 0.000 0.437 1102 G N 0.295 109.180 108.800 0.141 0.000 2.553 1102 G HA2 -0.279 3.681 3.960 0.000 0.000 0.218 1102 G HA3 -0.279 3.681 3.960 0.000 0.000 0.218 1102 G C -0.468 174.529 174.900 0.162 0.000 1.195 1102 G CA 1.106 46.307 45.100 0.169 0.000 0.779 1102 G HN 0.394 nan 8.290 nan 0.000 0.577 1103 P HA -0.080 nan 4.420 nan 0.000 0.218 1103 P C 2.135 179.431 177.300 -0.007 0.000 1.146 1103 P CA 1.622 64.746 63.100 0.039 0.000 0.820 1103 P CB -0.129 31.578 31.700 0.011 0.000 0.778 1104 S N -1.466 114.195 115.700 -0.065 0.000 2.383 1104 S HA -0.134 4.336 4.470 0.000 0.000 0.229 1104 S C 1.128 175.482 174.600 -0.409 0.000 1.030 1104 S CA 1.310 59.328 58.200 -0.303 0.000 1.002 1104 S CB -0.932 61.941 63.200 -0.545 0.000 0.829 1104 S HN 0.204 nan 8.310 nan 0.000 0.467 1105 F N 0.247 120.194 119.950 -0.006 0.000 2.664 1105 F HA 0.393 4.920 4.527 -0.000 0.000 0.303 1105 F C 1.852 177.651 175.800 -0.002 0.000 1.092 1105 F CA -0.093 57.905 58.000 -0.003 0.000 1.305 1105 F CB 0.076 39.075 39.000 -0.002 0.000 1.054 1105 F HN 0.223 nan 8.300 nan 0.000 0.565 1106 G N 0.560 109.431 108.800 0.118 0.000 2.881 1106 G HA2 0.153 4.113 3.960 0.000 0.000 0.198 1106 G HA3 0.153 4.113 3.960 0.000 0.000 0.198 1106 G C 1.120 176.040 174.900 0.033 0.000 1.081 1106 G CA 0.484 45.630 45.100 0.076 0.000 0.787 1106 G HN 0.341 nan 8.290 nan 0.000 0.622 1107 I N -3.270 117.307 120.570 0.011 0.000 4.225 1107 I HA 0.537 4.707 4.170 0.000 0.000 0.327 1107 I C -0.276 175.827 176.117 -0.023 0.000 1.422 1107 I CA -0.540 60.758 61.300 -0.003 0.000 1.150 1107 I CB 0.385 38.386 38.000 0.002 0.000 1.192 1107 I HN -0.158 nan 8.210 nan 0.000 0.440 1108 K N 1.112 121.483 120.400 -0.049 0.000 8.802 1108 K HA -0.022 4.299 4.320 0.000 0.000 0.670 1108 K C -0.030 176.517 176.600 -0.088 0.000 2.556 1108 K CA 0.378 56.616 56.287 -0.082 0.000 1.923 1108 K CB -0.838 31.629 32.500 -0.055 0.000 2.053 1108 K HN 0.478 nan 8.250 nan 0.000 0.368 1109 G N 0.758 109.486 108.800 -0.120 0.000 2.372 1109 G HA2 0.597 4.557 3.960 0.000 0.000 0.283 1109 G HA3 0.597 4.557 3.960 0.000 0.000 0.283 1109 G C 0.175 175.032 174.900 -0.073 0.000 1.177 1109 G CA 0.176 45.212 45.100 -0.107 0.000 0.842 1109 G HN 0.666 nan 8.290 nan 0.000 0.503 1110 G N -0.392 108.372 108.800 -0.059 0.000 2.667 1110 G HA2 0.735 4.695 3.960 0.000 0.000 0.310 1110 G HA3 0.735 4.695 3.960 0.000 0.000 0.310 1110 G C 0.105 174.980 174.900 -0.042 0.000 1.259 1110 G CA -0.063 45.014 45.100 -0.040 0.000 1.019 1110 G HN 1.052 nan 8.290 nan 0.000 0.496 1111 A N -0.777 122.028 122.820 -0.025 0.000 2.425 1111 A HA 0.528 4.848 4.320 0.000 0.000 0.242 1111 A C 1.233 178.796 177.584 -0.033 0.000 1.077 1111 A CA 0.486 52.505 52.037 -0.029 0.000 0.781 1111 A CB 0.402 19.394 19.000 -0.012 0.000 1.020 1111 A HN 1.736 nan 8.150 nan 0.000 0.494 1112 A N 1.207 124.001 122.820 -0.042 0.000 2.503 1112 A HA 0.525 4.845 4.320 0.000 0.000 0.263 1112 A C 1.090 178.656 177.584 -0.029 0.000 1.360 1112 A CA 0.994 53.001 52.037 -0.050 0.000 0.969 1112 A CB -1.117 17.847 19.000 -0.060 0.000 1.000 1112 A HN 2.107 nan 8.150 nan 0.000 0.530 1113 G N -1.638 107.156 108.800 -0.011 0.000 2.445 1113 G HA2 0.529 4.489 3.960 0.000 0.000 0.104 1113 G HA3 0.529 4.489 3.960 0.000 0.000 0.104 1113 G C 0.079 175.012 174.900 0.055 0.000 0.958 1113 G CA 0.393 45.502 45.100 0.015 0.000 1.324 1113 G HN 1.621 nan 8.290 nan 0.000 0.549 1114 G N -1.333 107.511 108.800 0.074 0.000 2.429 1114 G HA2 0.666 4.626 3.960 0.000 0.000 0.300 1114 G HA3 0.666 4.626 3.960 0.000 0.000 0.300 1114 G C 0.756 175.690 174.900 0.056 0.000 1.598 1114 G CA 1.144 46.345 45.100 0.169 0.000 0.863 1114 G HN 2.139 nan 8.290 nan 0.000 0.614 1115 G N 0.369 109.083 108.800 -0.144 0.000 2.660 1115 G HA2 -0.272 3.688 3.960 0.000 0.000 0.338 1115 G HA3 -0.272 3.688 3.960 0.000 0.000 0.338 1115 G C 0.567 175.230 174.900 -0.395 0.000 1.336 1115 G CA 1.327 46.069 45.100 -0.597 0.000 0.990 1115 G HN 1.391 nan 8.290 nan 0.000 0.537 1116 Y N 1.819 121.957 120.300 -0.270 0.000 2.976 1116 Y HA 0.505 5.055 4.550 0.000 0.000 0.389 1116 Y C 1.483 177.340 175.900 -0.072 0.000 1.072 1116 Y CA 0.589 58.601 58.100 -0.147 0.000 1.809 1116 Y CB -0.063 38.313 38.460 -0.140 0.000 1.736 1116 Y HN 0.802 nan 8.280 nan 0.000 0.471 1117 A N 0.154 122.990 122.820 0.025 0.000 2.538 1117 A HA 0.194 4.514 4.320 0.000 0.000 0.276 1117 A C -0.048 177.545 177.584 0.015 0.000 0.908 1117 A CA -0.590 51.474 52.037 0.044 0.000 1.042 1117 A CB -0.117 18.931 19.000 0.080 0.000 1.218 1117 A HN 0.419 nan 8.150 nan 0.000 0.517 1118 Q N 0.520 120.304 119.800 -0.025 0.000 2.290 1118 Q HA 0.686 5.026 4.340 0.000 0.000 0.259 1118 Q C -0.588 175.396 176.000 -0.027 0.000 0.941 1118 Q CA -0.736 55.048 55.803 -0.031 0.000 0.912 1118 Q CB 1.991 30.691 28.738 -0.062 0.000 1.244 1118 Q HN -0.002 nan 8.270 nan 0.000 0.441 1119 V N 3.232 123.140 119.914 -0.010 0.000 2.963 1119 V HA 0.261 4.381 4.120 0.000 0.000 0.306 1119 V C 0.520 176.615 176.094 0.002 0.000 1.077 1119 V CA -0.197 62.108 62.300 0.007 0.000 1.124 1119 V CB 1.060 32.898 31.823 0.024 0.000 0.987 1119 V HN 0.749 nan 8.190 nan 0.000 0.487 1120 V N 1.506 121.433 119.914 0.021 0.000 3.167 1120 V HA 0.706 4.826 4.120 0.000 0.000 0.310 1120 V C -2.784 173.361 176.094 0.084 0.000 1.207 1120 V CA -2.477 59.839 62.300 0.025 0.000 1.059 1120 V CB 2.061 33.867 31.823 -0.028 0.000 1.079 1120 V HN 0.702 nan 8.190 nan 0.000 0.446 1121 P HA 0.212 nan 4.420 nan 0.000 0.276 1121 P C 0.596 177.945 177.300 0.081 0.000 1.235 1121 P CA -0.087 63.056 63.100 0.070 0.000 0.772 1121 P CB 1.398 33.159 31.700 0.102 0.000 0.871 1122 M N 3.127 122.742 119.600 0.025 0.000 2.180 1122 M HA -0.231 4.249 4.480 0.000 0.000 0.260 1122 M C 1.938 178.251 176.300 0.022 0.000 1.071 1122 M CA 2.124 57.426 55.300 0.004 0.000 1.096 1122 M CB -0.525 32.059 32.600 -0.027 0.000 1.276 1122 M HN 0.393 nan 8.290 nan 0.000 0.426 1123 E N 0.298 120.512 120.200 0.024 0.000 2.082 1123 E HA -0.308 4.042 4.350 0.000 0.000 0.215 1123 E C 1.485 178.132 176.600 0.079 0.000 1.048 1123 E CA 2.386 58.805 56.400 0.032 0.000 0.869 1123 E CB -0.577 29.147 29.700 0.040 0.000 0.773 1123 E HN 0.610 nan 8.360 nan 0.000 0.466 1124 D N 0.490 120.976 120.400 0.143 0.000 2.126 1124 D HA -0.206 4.434 4.640 0.000 0.000 0.190 1124 D C 1.931 178.427 176.300 0.326 0.000 1.001 1124 D CA 1.277 55.423 54.000 0.242 0.000 0.841 1124 D CB -0.309 40.654 40.800 0.272 0.000 0.949 1124 D HN 0.200 nan 8.370 nan 0.000 0.446 1125 I N 0.283 121.007 120.570 0.258 0.000 2.248 1125 I HA -0.291 3.879 4.170 0.000 0.000 0.248 1125 I C 1.230 177.272 176.117 -0.125 0.000 1.107 1125 I CA 1.214 62.467 61.300 -0.078 0.000 1.373 1125 I CB -0.298 37.590 38.000 -0.186 0.000 1.055 1125 I HN 0.018 nan 8.210 nan 0.000 0.418 1126 N N -0.279 118.390 118.700 -0.051 0.000 2.398 1126 N HA 0.161 4.901 4.740 0.000 0.000 0.188 1126 N C 0.712 176.192 175.510 -0.049 0.000 1.122 1126 N CA 0.447 53.454 53.050 -0.073 0.000 0.866 1126 N CB 0.362 38.797 38.487 -0.088 0.000 0.970 1126 N HN 0.274 nan 8.380 nan 0.000 0.462 1127 L N -1.324 119.900 121.223 0.002 0.000 2.704 1127 L HA 0.258 4.598 4.340 0.000 0.000 0.218 1127 L C 1.411 178.262 176.870 -0.031 0.000 1.767 1127 L CA -0.678 54.140 54.840 -0.037 0.000 2.905 1127 L CB -0.206 41.844 42.059 -0.015 0.000 2.715 1127 L HN 0.121 nan 8.230 nan 0.000 0.759 1128 H N -0.537 118.660 119.070 0.211 0.000 2.462 1128 H HA -0.038 4.518 4.556 0.000 0.000 0.292 1128 H C 0.926 176.395 175.328 0.236 0.000 1.049 1128 H CA 1.148 57.329 56.048 0.222 0.000 1.334 1128 H CB 0.223 30.157 29.762 0.288 0.000 1.404 1128 H HN 0.330 nan 8.280 nan 0.000 0.544 1129 F N 0.401 120.439 119.950 0.147 0.000 2.360 1129 F HA -0.439 4.088 4.527 0.000 0.000 0.355 1129 F C 1.736 177.584 175.800 0.079 0.000 1.410 1129 F CA 2.865 60.908 58.000 0.072 0.000 1.895 1129 F CB -1.193 37.809 39.000 0.003 0.000 0.892 1129 F HN 0.215 nan 8.300 nan 0.000 0.204 1130 T N -0.768 113.657 114.554 -0.214 0.000 3.182 1130 T HA 0.512 4.862 4.350 0.000 0.000 0.277 1130 T C 1.065 175.774 174.700 0.014 0.000 1.013 1130 T CA 0.763 62.645 62.100 -0.364 0.000 0.900 1130 T CB -0.164 68.066 68.868 -1.063 0.000 1.098 1130 T HN 2.153 nan 8.240 nan 0.000 0.543 1131 G N 1.577 110.480 108.800 0.172 0.000 2.176 1131 G HA2 -0.258 3.702 3.960 0.000 0.000 0.252 1131 G HA3 -0.258 3.702 3.960 0.000 0.000 0.252 1131 G C 0.470 175.465 174.900 0.159 0.000 1.024 1131 G CA 0.300 45.538 45.100 0.230 0.000 0.755 1131 G HN 0.506 nan 8.290 nan 0.000 0.507 1132 D N 0.134 120.612 120.400 0.130 0.000 2.097 1132 D HA -0.052 4.588 4.640 0.000 0.000 0.195 1132 D C 2.718 179.084 176.300 0.111 0.000 0.989 1132 D CA 1.204 55.287 54.000 0.138 0.000 0.827 1132 D CB -0.128 40.780 40.800 0.180 0.000 0.966 1132 D HN 0.571 nan 8.370 nan 0.000 0.456 1133 I N 0.835 121.424 120.570 0.032 0.000 2.226 1133 I HA -0.264 3.906 4.170 0.000 0.000 0.245 1133 I C 2.309 178.481 176.117 0.092 0.000 1.100 1133 I CA 0.988 62.296 61.300 0.012 0.000 1.374 1133 I CB -0.394 37.562 38.000 -0.074 0.000 1.057 1133 I HN 0.099 nan 8.210 nan 0.000 0.413 1134 H N 1.040 120.224 119.070 0.191 0.000 2.352 1134 H HA -0.122 4.434 4.556 -0.000 0.000 0.299 1134 H C 2.403 177.883 175.328 0.253 0.000 1.097 1134 H CA 1.569 57.755 56.048 0.229 0.000 1.311 1134 H CB -0.535 29.340 29.762 0.189 0.000 1.377 1134 H HN 0.382 nan 8.280 nan 0.000 0.504 1135 A N 0.697 123.698 122.820 0.302 0.000 1.908 1135 A HA -0.131 4.189 4.320 0.000 0.000 0.218 1135 A C 2.896 180.632 177.584 0.253 0.000 1.181 1135 A CA 1.821 54.006 52.037 0.246 0.000 0.627 1135 A CB -0.897 18.220 19.000 0.195 0.000 0.818 1135 A HN 0.233 nan 8.150 nan 0.000 0.445 1136 V N -0.339 119.708 119.914 0.222 0.000 2.295 1136 V HA -0.234 3.886 4.120 0.000 0.000 0.246 1136 V C 2.740 178.956 176.094 0.203 0.000 1.049 1136 V CA 2.471 64.892 62.300 0.202 0.000 1.024 1136 V CB -1.318 30.601 31.823 0.160 0.000 0.648 1136 V HN 0.612 nan 8.190 nan 0.000 0.447 1137 T N -0.897 113.781 114.554 0.208 0.000 2.699 1137 T HA -0.251 4.099 4.350 0.000 0.000 0.268 1137 T C 1.746 176.503 174.700 0.095 0.000 1.036 1137 T CA 2.148 64.334 62.100 0.144 0.000 1.147 1137 T CB -0.371 68.633 68.868 0.226 0.000 0.862 1137 T HN 0.499 nan 8.240 nan 0.000 0.446 1138 Y N 0.658 121.030 120.300 0.119 0.000 2.420 1138 Y HA 0.326 4.876 4.550 -0.000 0.000 0.292 1138 Y C 2.506 178.454 175.900 0.079 0.000 1.119 1138 Y CA 0.101 58.259 58.100 0.096 0.000 1.229 1138 Y CB -0.466 38.045 38.460 0.085 0.000 1.026 1138 Y HN 0.190 nan 8.280 nan 0.000 0.554 1139 A N -0.965 121.965 122.820 0.183 0.000 1.968 1139 A HA -0.182 4.138 4.320 0.000 0.000 0.217 1139 A C 2.086 179.679 177.584 0.016 0.000 1.169 1139 A CA 1.562 53.618 52.037 0.033 0.000 0.638 1139 A CB -0.748 18.218 19.000 -0.056 0.000 0.812 1139 A HN 0.488 nan 8.150 nan 0.000 0.446 1140 H N 0.730 119.818 119.070 0.031 0.000 2.307 1140 H HA -0.057 4.499 4.556 0.000 0.000 0.303 1140 H C 1.658 177.066 175.328 0.133 0.000 1.073 1140 H CA 1.765 57.910 56.048 0.161 0.000 1.338 1140 H CB -0.140 29.634 29.762 0.019 0.000 1.389 1140 H HN 0.372 nan 8.280 nan 0.000 0.503 1141 N N 1.006 119.815 118.700 0.181 0.000 2.223 1141 N HA -0.126 4.614 4.740 0.000 0.000 0.185 1141 N C 2.185 177.722 175.510 0.044 0.000 1.016 1141 N CA 0.719 53.789 53.050 0.032 0.000 0.863 1141 N CB -0.415 37.961 38.487 -0.186 0.000 0.983 1141 N HN 0.311 nan 8.380 nan 0.000 0.429 1142 L N 0.692 121.943 121.223 0.047 0.000 2.093 1142 L HA 0.004 4.344 4.340 0.000 0.000 0.208 1142 L C 1.960 178.843 176.870 0.023 0.000 1.085 1142 L CA 1.132 55.996 54.840 0.040 0.000 0.755 1142 L CB -0.755 41.333 42.059 0.047 0.000 0.904 1142 L HN 0.039 nan 8.230 nan 0.000 0.435 1143 L N 0.225 121.456 121.223 0.013 0.000 2.017 1143 L HA -0.080 4.260 4.340 0.000 0.000 0.208 1143 L C 2.538 179.424 176.870 0.027 0.000 1.073 1143 L CA 2.131 56.919 54.840 -0.086 0.000 0.745 1143 L CB -1.245 40.625 42.059 -0.314 0.000 0.894 1143 L HN 0.298 nan 8.230 nan 0.000 0.432 1144 A N -0.417 122.548 122.820 0.241 0.000 1.883 1144 A HA -0.147 4.173 4.320 0.000 0.000 0.217 1144 A C 2.451 180.090 177.584 0.091 0.000 1.186 1144 A CA 2.033 54.214 52.037 0.239 0.000 0.624 1144 A CB -1.265 17.825 19.000 0.151 0.000 0.822 1144 A HN 0.591 nan 8.150 nan 0.000 0.444 1145 A N -0.747 122.108 122.820 0.057 0.000 1.972 1145 A HA -0.089 4.231 4.320 0.000 0.000 0.219 1145 A C 2.218 179.824 177.584 0.038 0.000 1.169 1145 A CA 1.742 53.802 52.037 0.039 0.000 0.635 1145 A CB -0.526 18.494 19.000 0.032 0.000 0.810 1145 A HN 0.555 nan 8.150 nan 0.000 0.446 1146 M N -0.899 118.716 119.600 0.026 0.000 2.319 1146 M HA -0.074 4.406 4.480 0.000 0.000 0.265 1146 M C 1.973 178.298 176.300 0.040 0.000 1.068 1146 M CA 0.904 56.218 55.300 0.024 0.000 1.118 1146 M CB -0.263 32.331 32.600 -0.010 0.000 1.395 1146 M HN 0.246 nan 8.290 nan 0.000 0.435 1147 V N 0.307 120.232 119.914 0.018 0.000 2.307 1147 V HA -0.247 3.873 4.120 0.000 0.000 0.245 1147 V C 1.810 177.939 176.094 0.059 0.000 1.045 1147 V CA 1.775 64.081 62.300 0.010 0.000 1.024 1147 V CB -0.578 31.249 31.823 0.007 0.000 0.651 1147 V HN 0.410 nan 8.190 nan 0.000 0.449 1148 D N -0.109 120.325 120.400 0.057 0.000 2.183 1148 D HA -0.140 4.500 4.640 0.000 0.000 0.203 1148 D C 2.047 178.384 176.300 0.061 0.000 0.969 1148 D CA 1.007 55.040 54.000 0.056 0.000 0.842 1148 D CB -0.240 40.586 40.800 0.043 0.000 0.957 1148 D HN 0.477 nan 8.370 nan 0.000 0.484 1149 N N 0.440 119.178 118.700 0.062 0.000 2.354 1149 N HA -0.165 4.576 4.740 0.000 0.000 0.179 1149 N C 1.729 177.270 175.510 0.051 0.000 1.021 1149 N CA 0.548 53.626 53.050 0.046 0.000 0.887 1149 N CB -0.059 38.449 38.487 0.035 0.000 0.974 1149 N HN 0.269 nan 8.380 nan 0.000 0.437 1150 H N 1.660 120.728 119.070 -0.004 0.000 2.299 1150 H HA -0.002 4.554 4.556 0.000 0.000 0.302 1150 H C 2.222 177.552 175.328 0.002 0.000 1.078 1150 H CA 1.188 57.233 56.048 -0.006 0.000 1.323 1150 H CB -0.047 29.704 29.762 -0.020 0.000 1.381 1150 H HN 0.181 nan 8.280 nan 0.000 0.498 1151 L N 0.547 121.883 121.223 0.189 0.000 1.990 1151 L HA -0.237 4.103 4.340 0.000 0.000 0.213 1151 L C 2.840 179.745 176.870 0.059 0.000 1.072 1151 L CA 1.804 56.720 54.840 0.128 0.000 0.755 1151 L CB -0.717 41.396 42.059 0.091 0.000 0.889 1151 L HN 0.269 nan 8.230 nan 0.000 0.432 1152 Q N -0.157 119.667 119.800 0.040 0.000 2.248 1152 Q HA -0.229 4.111 4.340 0.000 0.000 0.208 1152 Q C 2.186 178.181 176.000 -0.009 0.000 0.984 1152 Q CA 1.575 57.389 55.803 0.018 0.000 0.875 1152 Q CB -0.030 28.718 28.738 0.017 0.000 0.910 1152 Q HN 0.439 nan 8.270 nan 0.000 0.433 1153 Q N -1.928 117.844 119.800 -0.046 0.000 2.137 1153 Q HA 0.169 4.509 4.340 0.000 0.000 0.198 1153 Q C 1.176 177.133 176.000 -0.071 0.000 0.960 1153 Q CA 1.378 57.132 55.803 -0.082 0.000 0.847 1153 Q CB 0.436 29.077 28.738 -0.162 0.000 0.915 1153 Q HN 0.487 nan 8.270 nan 0.000 0.448 1154 G N 0.040 108.804 108.800 -0.060 0.000 4.199 1154 G HA2 -0.145 3.815 3.960 0.000 0.000 0.220 1154 G HA3 -0.145 3.815 3.960 0.000 0.000 0.220 1154 G C -0.012 174.905 174.900 0.029 0.000 0.841 1154 G CA -0.238 44.853 45.100 -0.016 0.000 0.973 1154 G HN 0.131 nan 8.290 nan 0.000 0.743 1155 N N 0.029 118.764 118.700 0.058 0.000 2.705 1155 N HA -0.176 4.564 4.740 0.000 0.000 0.255 1155 N C 1.557 177.201 175.510 0.223 0.000 1.008 1155 N CA 0.949 54.127 53.050 0.214 0.000 0.742 1155 N CB -1.187 37.404 38.487 0.175 0.000 0.906 1155 N HN 0.467 nan 8.380 nan 0.000 0.541 1156 V N 0.249 120.286 119.914 0.204 0.000 2.370 1156 V HA -0.245 3.875 4.120 0.000 0.000 0.252 1156 V C 2.193 178.413 176.094 0.211 0.000 1.068 1156 V CA 2.059 64.464 62.300 0.175 0.000 1.061 1156 V CB -0.225 31.658 31.823 0.099 0.000 0.656 1156 V HN 0.533 nan 8.190 nan 0.000 0.455 1157 L N -0.180 121.216 121.223 0.287 0.000 2.599 1157 L HA 0.163 4.503 4.340 0.000 0.000 0.230 1157 L C 1.050 177.950 176.870 0.049 0.000 1.141 1157 L CA 0.321 55.203 54.840 0.069 0.000 0.877 1157 L CB -0.812 41.173 42.059 -0.123 0.000 1.009 1157 L HN 0.511 nan 8.230 nan 0.000 0.447 1158 N N 0.962 119.728 118.700 0.110 0.000 2.725 1158 N HA -0.218 4.522 4.740 0.000 0.000 0.251 1158 N C -0.203 175.292 175.510 -0.026 0.000 1.031 1158 N CA 0.275 53.408 53.050 0.139 0.000 0.720 1158 N CB -0.988 37.609 38.487 0.183 0.000 0.930 1158 N HN 0.302 nan 8.380 nan 0.000 0.543 1159 I N -0.371 120.135 120.570 -0.107 0.000 2.638 1159 I HA 0.062 4.232 4.170 0.000 0.000 0.286 1159 I C 0.715 176.518 176.117 -0.523 0.000 1.088 1159 I CA -0.187 60.963 61.300 -0.249 0.000 1.397 1159 I CB 0.582 38.484 38.000 -0.163 0.000 1.414 1159 I HN 0.207 nan 8.210 nan 0.000 0.566 1160 D N 7.440 127.484 120.400 -0.593 0.000 2.443 1160 D HA 0.245 4.885 4.640 0.000 0.000 0.221 1160 D C -1.774 174.406 176.300 -0.199 0.000 1.097 1160 D CA -2.312 51.297 54.000 -0.652 0.000 0.865 1160 D CB 1.609 42.074 40.800 -0.558 0.000 1.034 1160 D HN 0.121 nan 8.370 nan 0.000 0.511 1161 P HA -0.152 nan 4.420 nan 0.000 0.217 1161 P C 0.863 178.167 177.300 0.006 0.000 1.148 1161 P CA 1.194 64.286 63.100 -0.014 0.000 0.834 1161 P CB 0.247 31.964 31.700 0.027 0.000 0.783 1162 R N -1.356 119.152 120.500 0.014 0.000 2.316 1162 R HA 0.011 4.351 4.340 0.000 0.000 0.202 1162 R C 1.781 178.099 176.300 0.031 0.000 1.029 1162 R CA 1.590 57.709 56.100 0.031 0.000 1.018 1162 R CB -0.709 29.620 30.300 0.048 0.000 0.888 1162 R HN 0.367 nan 8.270 nan 0.000 0.471 1163 T N -2.218 112.355 114.554 0.031 0.000 3.015 1163 T HA 0.231 4.581 4.350 0.000 0.000 0.250 1163 T C 0.873 175.649 174.700 0.126 0.000 1.057 1163 T CA -0.349 61.798 62.100 0.079 0.000 1.066 1163 T CB 0.056 68.990 68.868 0.110 0.000 0.959 1163 T HN -0.043 nan 8.240 nan 0.000 0.488 1164 I N 3.984 124.597 120.570 0.071 0.000 2.919 1164 I HA -0.056 4.114 4.170 0.000 0.000 0.299 1164 I C 1.987 178.156 176.117 0.087 0.000 1.221 1164 I CA 0.588 61.926 61.300 0.063 0.000 1.424 1164 I CB 0.710 38.732 38.000 0.036 0.000 1.358 1164 I HN 0.409 nan 8.210 nan 0.000 0.551 1165 T N 3.621 118.244 114.554 0.114 0.000 3.015 1165 T HA -0.045 4.305 4.350 0.000 0.000 0.250 1165 T C 0.558 175.333 174.700 0.126 0.000 1.057 1165 T CA -0.289 61.882 62.100 0.118 0.000 1.066 1165 T CB 0.089 69.046 68.868 0.149 0.000 0.959 1165 T HN 0.588 nan 8.240 nan 0.000 0.488 1166 W N 4.459 125.718 121.300 -0.069 0.000 2.724 1166 W HA 0.256 4.916 4.660 0.000 0.000 0.347 1166 W C 0.108 176.592 176.519 -0.059 0.000 1.338 1166 W CA -0.889 56.401 57.345 -0.091 0.000 1.450 1166 W CB 0.283 29.653 29.460 -0.150 0.000 1.534 1166 W HN 0.268 nan 8.180 nan 0.000 0.508 1167 R N 3.094 123.333 120.500 -0.435 0.000 2.745 1167 R HA 0.408 4.748 4.340 0.000 0.000 0.251 1167 R C 0.280 176.228 176.300 -0.587 0.000 1.257 1167 R CA -0.436 55.412 56.100 -0.420 0.000 1.102 1167 R CB 0.633 30.714 30.300 -0.364 0.000 1.151 1167 R HN 0.403 nan 8.270 nan 0.000 0.571 1168 R N -0.880 119.191 120.500 -0.715 0.000 2.944 1168 R HA 0.619 4.959 4.340 0.000 0.000 0.233 1168 R C -1.311 174.327 176.300 -1.104 0.000 1.346 1168 R CA -0.698 54.829 56.100 -0.955 0.000 1.082 1168 R CB 1.617 31.045 30.300 -1.453 0.000 1.434 1168 R HN 0.271 nan 8.270 nan 0.000 0.510 1169 V N 1.067 120.420 119.914 -0.935 0.000 3.048 1169 V HA 0.545 4.665 4.120 0.000 0.000 0.303 1169 V C -1.473 174.609 176.094 -0.020 0.000 1.214 1169 V CA -0.685 61.302 62.300 -0.521 0.000 0.984 1169 V CB 2.139 33.465 31.823 -0.829 0.000 1.054 1169 V HN 0.646 nan 8.190 nan 0.000 0.430 1170 I N 2.081 122.709 120.570 0.096 0.000 2.841 1170 I HA 0.541 4.711 4.170 0.000 0.000 0.298 1170 I C -1.040 175.104 176.117 0.045 0.000 1.304 1170 I CA -0.073 61.291 61.300 0.107 0.000 1.019 1170 I CB 2.438 40.499 38.000 0.101 0.000 1.282 1170 I HN 0.643 nan 8.210 nan 0.000 0.432 1171 D N 6.437 126.875 120.400 0.063 0.000 3.071 1171 D HA 0.412 5.052 4.640 0.000 0.000 0.259 1171 D C -1.072 175.262 176.300 0.057 0.000 1.331 1171 D CA 0.324 54.359 54.000 0.057 0.000 0.861 1171 D CB -0.320 40.528 40.800 0.079 0.000 1.059 1171 D HN 0.399 nan 8.370 nan 0.000 0.486 1172 L N -0.023 121.218 121.223 0.030 0.000 2.376 1172 L HA 0.425 4.765 4.340 0.000 0.000 0.258 1172 L C -0.013 176.867 176.870 0.018 0.000 1.013 1172 L CA -1.141 53.710 54.840 0.019 0.000 0.822 1172 L CB 1.905 43.943 42.059 -0.036 0.000 1.388 1172 L HN -0.230 nan 8.230 nan 0.000 0.413 1173 N N 2.189 120.907 118.700 0.031 0.000 2.482 1173 N HA 0.153 4.893 4.740 0.000 0.000 0.242 1173 N C -0.916 174.594 175.510 -0.001 0.000 1.100 1173 N CA 0.068 53.136 53.050 0.030 0.000 0.946 1173 N CB 0.866 39.383 38.487 0.050 0.000 1.227 1173 N HN 0.513 nan 8.380 nan 0.000 0.508 1174 E N 1.684 121.872 120.200 -0.021 0.000 2.325 1174 E HA 0.211 4.561 4.350 0.000 0.000 0.248 1174 E C 0.549 177.126 176.600 -0.038 0.000 0.912 1174 E CA -0.458 55.913 56.400 -0.049 0.000 0.782 1174 E CB 0.924 30.561 29.700 -0.105 0.000 1.264 1174 E HN 0.277 nan 8.360 nan 0.000 0.417 1175 R N 2.419 122.905 120.500 -0.023 0.000 2.081 1175 R HA -0.126 4.214 4.340 0.000 0.000 0.235 1175 R C 1.980 178.266 176.300 -0.023 0.000 1.131 1175 R CA 1.456 57.548 56.100 -0.013 0.000 0.960 1175 R CB -0.197 30.098 30.300 -0.007 0.000 0.856 1175 R HN 0.566 nan 8.270 nan 0.000 0.436 1176 A N 1.079 123.875 122.820 -0.040 0.000 2.042 1176 A HA -0.162 4.158 4.320 0.000 0.000 0.222 1176 A C 1.902 179.452 177.584 -0.056 0.000 1.167 1176 A CA 1.342 53.351 52.037 -0.048 0.000 0.649 1176 A CB -0.472 18.490 19.000 -0.064 0.000 0.809 1176 A HN 0.240 nan 8.150 nan 0.000 0.457 1177 L N -1.501 119.676 121.223 -0.078 0.000 2.611 1177 L HA 0.073 4.413 4.340 0.000 0.000 0.229 1177 L C 2.333 179.237 176.870 0.056 0.000 1.137 1177 L CA -0.107 54.691 54.840 -0.070 0.000 0.901 1177 L CB -0.241 41.655 42.059 -0.272 0.000 1.098 1177 L HN 0.361 nan 8.230 nan 0.000 0.456 1178 R N 0.467 120.985 120.500 0.030 0.000 2.066 1178 R HA 0.007 4.347 4.340 0.000 0.000 0.232 1178 R C 0.133 176.458 176.300 0.042 0.000 1.131 1178 R CA 0.828 56.952 56.100 0.039 0.000 0.955 1178 R CB -0.029 30.283 30.300 0.020 0.000 0.851 1178 R HN 0.348 nan 8.270 nan 0.000 0.432 1179 N N 0.712 119.431 118.700 0.033 0.000 2.399 1179 N HA 0.338 5.078 4.740 0.000 0.000 0.284 1179 N C -0.633 174.897 175.510 0.033 0.000 1.025 1179 N CA -0.339 52.729 53.050 0.030 0.000 0.885 1179 N CB 2.384 40.882 38.487 0.018 0.000 1.339 1179 N HN 0.116 nan 8.380 nan 0.000 0.487 1180 I N -2.330 118.267 120.570 0.045 0.000 3.279 1180 I HA 0.694 4.864 4.170 0.000 0.000 0.315 1180 I C -1.336 174.805 176.117 0.040 0.000 1.225 1180 I CA -1.029 60.298 61.300 0.045 0.000 0.947 1180 I CB 2.259 40.305 38.000 0.077 0.000 1.293 1180 I HN -0.026 nan 8.210 nan 0.000 0.468 1181 V N 3.498 123.433 119.914 0.036 0.000 2.483 1181 V HA 0.530 4.650 4.120 0.000 0.000 0.297 1181 V C -0.128 175.988 176.094 0.036 0.000 1.027 1181 V CA -0.375 61.944 62.300 0.032 0.000 0.855 1181 V CB 1.377 33.214 31.823 0.024 0.000 0.995 1181 V HN 0.721 nan 8.190 nan 0.000 0.424 1182 I N 1.303 121.896 120.570 0.038 0.000 2.982 1182 I HA 0.991 5.162 4.170 0.000 0.000 0.312 1182 I C 1.032 177.169 176.117 0.034 0.000 1.041 1182 I CA 0.077 61.402 61.300 0.041 0.000 1.053 1182 I CB 1.981 40.009 38.000 0.047 0.000 1.248 1182 I HN 0.800 nan 8.210 nan 0.000 0.471 1183 G N 2.215 111.035 108.800 0.033 0.000 2.148 1183 G HA2 -0.192 3.768 3.960 0.000 0.000 0.254 1183 G HA3 -0.192 3.768 3.960 0.000 0.000 0.254 1183 G C 0.062 174.978 174.900 0.027 0.000 0.981 1183 G CA 0.322 45.440 45.100 0.030 0.000 0.670 1183 G HN 0.645 nan 8.290 nan 0.000 0.528 1184 L N -0.843 120.395 121.223 0.025 0.000 2.472 1184 L HA 0.510 4.851 4.340 0.000 0.000 0.260 1184 L C 1.820 178.701 176.870 0.018 0.000 1.209 1184 L CA 1.099 55.951 54.840 0.021 0.000 0.817 1184 L CB 0.810 42.880 42.059 0.018 0.000 1.106 1184 L HN 0.910 nan 8.230 nan 0.000 0.479 1185 G N 0.039 108.848 108.800 0.016 0.000 2.436 1185 G HA2 0.107 4.067 3.960 0.000 0.000 0.204 1185 G HA3 0.107 4.067 3.960 0.000 0.000 0.204 1185 G C 0.306 175.214 174.900 0.013 0.000 1.026 1185 G CA -0.115 44.993 45.100 0.014 0.000 0.658 1185 G HN 1.427 nan 8.290 nan 0.000 0.499 1186 G N -0.351 108.458 108.800 0.015 0.000 2.359 1186 G HA2 0.475 4.435 3.960 0.000 0.000 0.303 1186 G HA3 0.475 4.435 3.960 0.000 0.000 0.303 1186 G C 0.457 175.366 174.900 0.015 0.000 1.293 1186 G CA 0.478 45.587 45.100 0.014 0.000 0.964 1186 G HN 1.250 nan 8.290 nan 0.000 0.531 1187 K N -0.700 119.708 120.400 0.014 0.000 2.442 1187 K HA 0.238 4.558 4.320 0.000 0.000 0.199 1187 K C 1.928 178.536 176.600 0.013 0.000 1.044 1187 K CA 2.100 58.395 56.287 0.014 0.000 0.941 1187 K CB 0.040 32.547 32.500 0.012 0.000 0.759 1187 K HN 0.973 nan 8.250 nan 0.000 0.472 1188 A N 1.310 124.137 122.820 0.012 0.000 2.169 1188 A HA 0.096 4.416 4.320 0.000 0.000 0.210 1188 A C 0.889 178.482 177.584 0.013 0.000 1.168 1188 A CA -0.070 51.974 52.037 0.011 0.000 0.813 1188 A CB 0.111 19.116 19.000 0.009 0.000 0.861 1188 A HN 0.260 nan 8.150 nan 0.000 0.481 1189 N N 0.573 119.282 118.700 0.016 0.000 2.328 1189 N HA 0.350 5.090 4.740 0.000 0.000 0.247 1189 N C 0.610 176.134 175.510 0.022 0.000 1.165 1189 N CA 0.923 53.984 53.050 0.018 0.000 0.873 1189 N CB 0.787 39.284 38.487 0.017 0.000 1.125 1189 N HN 0.563 nan 8.380 nan 0.000 0.513 1190 G N -0.218 108.596 108.800 0.023 0.000 2.660 1190 G HA2 -0.216 3.744 3.960 0.000 0.000 0.247 1190 G HA3 -0.216 3.744 3.960 0.000 0.000 0.247 1190 G C -0.954 173.964 174.900 0.030 0.000 1.328 1190 G CA -0.770 44.347 45.100 0.028 0.000 0.884 1190 G HN 0.024 nan 8.290 nan 0.000 0.531 1191 V N 1.771 121.706 119.914 0.036 0.000 2.370 1191 V HA 0.509 4.629 4.120 0.000 0.000 0.283 1191 V C -1.830 174.287 176.094 0.038 0.000 1.023 1191 V CA -1.244 61.080 62.300 0.040 0.000 0.857 1191 V CB 1.722 33.574 31.823 0.049 0.000 0.985 1191 V HN 0.632 nan 8.190 nan 0.000 0.443 1192 P HA 0.313 nan 4.420 nan 0.000 0.267 1192 P C -0.504 176.817 177.300 0.036 0.000 1.205 1192 P CA 0.048 63.168 63.100 0.033 0.000 0.765 1192 P CB 0.358 32.076 31.700 0.030 0.000 0.828 1193 R N 0.815 121.335 120.500 0.033 0.000 2.728 1193 R HA 0.526 4.866 4.340 0.000 0.000 0.274 1193 R C -1.289 175.027 176.300 0.027 0.000 1.030 1193 R CA -1.057 55.062 56.100 0.031 0.000 0.876 1193 R CB 1.377 31.695 30.300 0.031 0.000 1.259 1193 R HN 0.213 nan 8.270 nan 0.000 0.468 1194 E N 1.043 121.258 120.200 0.025 0.000 2.134 1194 E HA 0.375 4.725 4.350 0.000 0.000 0.278 1194 E C -0.671 175.938 176.600 0.015 0.000 0.959 1194 E CA -0.557 55.856 56.400 0.022 0.000 0.783 1194 E CB 2.138 31.851 29.700 0.021 0.000 1.095 1194 E HN 0.598 nan 8.360 nan 0.000 0.399 1195 T N 0.423 114.984 114.554 0.012 0.000 2.538 1195 T HA 0.839 5.189 4.350 0.000 0.000 0.237 1195 T C 0.145 174.845 174.700 -0.000 0.000 0.818 1195 T CA -0.613 61.479 62.100 -0.012 0.000 1.193 1195 T CB 1.496 70.340 68.868 -0.040 0.000 1.497 1195 T HN 0.617 nan 8.240 nan 0.000 0.503 1196 G N -0.437 108.348 108.800 -0.025 0.000 2.313 1196 G HA2 0.480 4.440 3.960 0.000 0.000 0.296 1196 G HA3 0.480 4.440 3.960 0.000 0.000 0.296 1196 G C -2.369 172.507 174.900 -0.041 0.000 1.356 1196 G CA -0.851 44.281 45.100 0.052 0.000 0.833 1196 G HN 0.415 nan 8.290 nan 0.000 0.552 1197 F N 0.645 120.521 119.950 -0.122 0.000 2.522 1197 F HA 0.626 5.154 4.527 0.000 0.000 0.324 1197 F C -0.117 175.578 175.800 -0.176 0.000 1.077 1197 F CA -0.539 57.359 58.000 -0.169 0.000 0.944 1197 F CB 2.500 41.415 39.000 -0.142 0.000 1.175 1197 F HN 0.231 nan 8.300 nan 0.000 0.468 1198 D N 1.749 122.077 120.400 -0.119 0.000 2.433 1198 D HA 0.286 4.926 4.640 0.000 0.000 0.236 1198 D C -0.580 175.626 176.300 -0.157 0.000 1.026 1198 D CA -0.445 53.458 54.000 -0.163 0.000 0.884 1198 D CB 3.006 43.641 40.800 -0.276 0.000 1.384 1198 D HN 0.268 nan 8.370 nan 0.000 0.477 1199 I N 1.009 121.489 120.570 -0.151 0.000 2.872 1199 I HA -0.135 4.035 4.170 0.000 0.000 0.291 1199 I C 1.593 177.600 176.117 -0.183 0.000 1.216 1199 I CA 0.835 62.069 61.300 -0.109 0.000 1.424 1199 I CB 0.670 38.643 38.000 -0.045 0.000 1.351 1199 I HN 0.259 nan 8.210 nan 0.000 0.592 1200 S N 4.294 119.928 115.700 -0.110 0.000 2.374 1200 S HA -0.168 4.302 4.470 0.000 0.000 0.227 1200 S C 1.635 176.171 174.600 -0.106 0.000 1.037 1200 S CA 1.597 59.727 58.200 -0.117 0.000 1.024 1200 S CB -0.485 62.700 63.200 -0.026 0.000 0.861 1200 S HN 0.739 nan 8.310 nan 0.000 0.456 1201 V N -0.526 119.345 119.914 -0.072 0.000 3.488 1201 V HA 0.324 4.444 4.120 0.000 0.000 0.273 1201 V C 1.389 177.396 176.094 -0.146 0.000 1.209 1201 V CA 0.990 63.272 62.300 -0.030 0.000 1.179 1201 V CB -1.176 30.695 31.823 0.080 0.000 0.842 1201 V HN 0.388 nan 8.190 nan 0.000 0.515 1202 A N -0.246 122.339 122.820 -0.392 0.000 2.343 1202 A HA 0.341 4.661 4.320 0.000 0.000 0.223 1202 A C 1.361 178.782 177.584 -0.272 0.000 1.214 1202 A CA 0.618 52.270 52.037 -0.643 0.000 0.900 1202 A CB -0.106 18.260 19.000 -1.056 0.000 0.942 1202 A HN 0.544 nan 8.150 nan 0.000 0.507 1203 S N 0.188 115.798 115.700 -0.150 0.000 2.558 1203 S HA -0.016 4.454 4.470 0.000 0.000 0.288 1203 S C 1.006 175.680 174.600 0.124 0.000 1.318 1203 S CA 0.260 58.475 58.200 0.024 0.000 1.056 1203 S CB 0.635 63.917 63.200 0.136 0.000 0.853 1203 S HN 0.545 nan 8.310 nan 0.000 0.505 1204 E N 2.913 123.237 120.200 0.206 0.000 2.347 1204 E HA -0.064 4.286 4.350 0.000 0.000 0.196 1204 E C 1.437 178.211 176.600 0.290 0.000 1.008 1204 E CA 0.603 57.146 56.400 0.238 0.000 0.852 1204 E CB 0.073 29.960 29.700 0.312 0.000 0.783 1204 E HN 0.636 nan 8.360 nan 0.000 0.505 1205 V N 0.917 121.038 119.914 0.345 0.000 2.453 1205 V HA -0.227 3.893 4.120 0.000 0.000 0.247 1205 V C 2.278 178.552 176.094 0.299 0.000 1.048 1205 V CA 1.547 64.081 62.300 0.391 0.000 1.049 1205 V CB -0.292 31.713 31.823 0.304 0.000 0.672 1205 V HN 0.373 nan 8.190 nan 0.000 0.457 1206 M N 0.881 120.602 119.600 0.201 0.000 2.175 1206 M HA 0.001 4.481 4.480 0.000 0.000 0.264 1206 M C 2.022 178.396 176.300 0.123 0.000 1.063 1206 M CA 2.010 57.389 55.300 0.131 0.000 1.119 1206 M CB -0.745 31.905 32.600 0.083 0.000 1.377 1206 M HN 0.237 nan 8.290 nan 0.000 0.415 1207 A N -0.456 122.452 122.820 0.147 0.000 1.851 1207 A HA -0.211 4.110 4.320 0.000 0.000 0.216 1207 A C 2.354 179.993 177.584 0.092 0.000 1.195 1207 A CA 2.047 54.173 52.037 0.147 0.000 0.622 1207 A CB -1.651 17.431 19.000 0.136 0.000 0.831 1207 A HN 0.686 nan 8.150 nan 0.000 0.444 1208 C N -1.177 118.183 119.300 0.100 0.000 2.396 1208 C HA -0.141 4.319 4.460 0.000 0.000 0.277 1208 C C 2.571 177.528 174.990 -0.054 0.000 1.231 1208 C CA 1.299 60.322 59.018 0.009 0.000 1.775 1208 C CB -1.615 26.135 27.740 0.018 0.000 2.036 1208 C HN 0.692 nan 8.230 nan 0.000 0.484 1209 L N 0.739 121.967 121.223 0.009 0.000 2.017 1209 L HA -0.079 4.261 4.340 0.000 0.000 0.208 1209 L C 2.168 178.986 176.870 -0.087 0.000 1.073 1209 L CA 2.028 56.847 54.840 -0.034 0.000 0.745 1209 L CB -0.895 41.173 42.059 0.015 0.000 0.894 1209 L HN 0.393 nan 8.230 nan 0.000 0.432 1210 C N -0.240 119.035 119.300 -0.042 0.000 2.539 1210 C HA 0.182 4.642 4.460 0.000 0.000 0.271 1210 C C 1.580 176.572 174.990 0.003 0.000 1.412 1210 C CA 0.036 59.039 59.018 -0.024 0.000 1.729 1210 C CB -1.484 26.307 27.740 0.084 0.000 1.739 1210 C HN 0.470 nan 8.230 nan 0.000 0.570 1211 L N -0.282 120.916 121.223 -0.042 0.000 3.425 1211 L HA 0.379 4.719 4.340 0.000 0.000 0.330 1211 L C 0.248 177.076 176.870 -0.070 0.000 1.317 1211 L CA 0.096 54.903 54.840 -0.056 0.000 0.940 1211 L CB -0.187 41.839 42.059 -0.055 0.000 1.378 1211 L HN 0.127 nan 8.230 nan 0.000 0.611 1212 A N -0.799 121.960 122.820 -0.102 0.000 2.365 1212 A HA 0.713 5.033 4.320 0.000 0.000 0.318 1212 A C 0.669 178.181 177.584 -0.119 0.000 1.091 1212 A CA -0.266 51.693 52.037 -0.130 0.000 0.763 1212 A CB 1.632 20.532 19.000 -0.165 0.000 1.248 1212 A HN 0.113 nan 8.150 nan 0.000 0.442 1213 S N 0.577 116.202 115.700 -0.126 0.000 2.336 1213 S HA 0.071 4.541 4.470 0.000 0.000 0.216 1213 S C 0.136 174.672 174.600 -0.106 0.000 1.032 1213 S CA 1.457 59.580 58.200 -0.128 0.000 0.973 1213 S CB -0.305 62.831 63.200 -0.106 0.000 0.888 1213 S HN 0.954 nan 8.310 nan 0.000 0.455 1214 D N -1.471 118.881 120.400 -0.080 0.000 2.654 1214 D HA 0.370 5.010 4.640 0.000 0.000 0.231 1214 D C 0.559 176.825 176.300 -0.057 0.000 1.239 1214 D CA -0.726 53.246 54.000 -0.046 0.000 0.790 1214 D CB 0.181 40.973 40.800 -0.014 0.000 1.480 1214 D HN -0.041 nan 8.370 nan 0.000 0.442 1215 L N -0.282 120.921 121.223 -0.034 0.000 2.064 1215 L HA -0.332 4.008 4.340 0.000 0.000 0.234 1215 L C 2.113 178.944 176.870 -0.064 0.000 1.103 1215 L CA 1.804 56.621 54.840 -0.039 0.000 0.824 1215 L CB -0.609 41.451 42.059 0.001 0.000 0.919 1215 L HN 0.589 nan 8.230 nan 0.000 0.447 1216 M N -1.174 118.402 119.600 -0.040 0.000 2.255 1216 M HA -0.244 4.236 4.480 0.000 0.000 0.259 1216 M C 1.778 178.031 176.300 -0.079 0.000 1.071 1216 M CA 1.647 56.920 55.300 -0.045 0.000 1.074 1216 M CB -1.399 31.186 32.600 -0.026 0.000 1.384 1216 M HN 0.369 nan 8.290 nan 0.000 0.415 1217 D N 0.275 120.615 120.400 -0.100 0.000 2.107 1217 D HA -0.105 4.536 4.640 0.000 0.000 0.204 1217 D C 1.932 178.107 176.300 -0.208 0.000 0.978 1217 D CA 0.748 54.668 54.000 -0.134 0.000 0.852 1217 D CB -0.266 40.457 40.800 -0.128 0.000 1.008 1217 D HN 0.182 nan 8.370 nan 0.000 0.458 1218 L N 1.169 122.238 121.223 -0.257 0.000 2.089 1218 L HA -0.199 4.141 4.340 0.000 0.000 0.213 1218 L C 2.189 178.664 176.870 -0.658 0.000 1.079 1218 L CA 2.054 56.611 54.840 -0.472 0.000 0.758 1218 L CB -0.729 41.079 42.059 -0.418 0.000 0.891 1218 L HN 0.055 nan 8.230 nan 0.000 0.433 1219 K N -0.396 119.805 120.400 -0.331 0.000 1.965 1219 K HA -0.278 4.042 4.320 0.000 0.000 0.214 1219 K C 2.164 178.702 176.600 -0.103 0.000 1.046 1219 K CA 1.938 58.136 56.287 -0.147 0.000 0.944 1219 K CB -0.476 32.007 32.500 -0.028 0.000 0.726 1219 K HN 0.494 nan 8.250 nan 0.000 0.441 1220 E N 0.399 120.540 120.200 -0.099 0.000 2.114 1220 E HA -0.288 4.062 4.350 0.000 0.000 0.199 1220 E C 2.071 178.621 176.600 -0.082 0.000 1.008 1220 E CA 1.571 57.926 56.400 -0.074 0.000 0.810 1220 E CB 0.032 29.682 29.700 -0.083 0.000 0.739 1220 E HN 0.288 nan 8.360 nan 0.000 0.456 1221 R N -0.583 119.824 120.500 -0.154 0.000 2.083 1221 R HA -0.140 4.200 4.340 0.000 0.000 0.237 1221 R C 2.417 178.709 176.300 -0.015 0.000 1.137 1221 R CA 1.808 57.828 56.100 -0.133 0.000 0.951 1221 R CB -0.446 29.719 30.300 -0.224 0.000 0.851 1221 R HN 0.313 nan 8.270 nan 0.000 0.434 1222 F N 0.824 120.722 119.950 -0.086 0.000 2.095 1222 F HA -0.272 4.255 4.527 0.000 0.000 0.298 1222 F C 2.801 178.507 175.800 -0.157 0.000 1.104 1222 F CA 1.043 58.968 58.000 -0.124 0.000 1.232 1222 F CB -0.344 38.595 39.000 -0.101 0.000 0.987 1222 F HN 0.183 nan 8.300 nan 0.000 0.475 1223 S N 0.406 116.156 115.700 0.083 0.000 2.500 1223 S HA -0.138 4.332 4.470 0.000 0.000 0.239 1223 S C 1.576 176.150 174.600 -0.043 0.000 0.989 1223 S CA 0.668 58.862 58.200 -0.010 0.000 0.951 1223 S CB -0.458 62.736 63.200 -0.011 0.000 0.759 1223 S HN 0.420 nan 8.310 nan 0.000 0.523 1224 R N 0.933 121.415 120.500 -0.029 0.000 2.237 1224 R HA 0.215 4.555 4.340 0.000 0.000 0.195 1224 R C 0.088 176.365 176.300 -0.038 0.000 0.956 1224 R CA 0.068 56.155 56.100 -0.021 0.000 1.029 1224 R CB -0.013 30.285 30.300 -0.003 0.000 0.972 1224 R HN 0.405 nan 8.270 nan 0.000 0.493 1225 K N 1.787 122.134 120.400 -0.088 0.000 2.524 1225 K HA 0.032 4.352 4.320 0.000 0.000 0.279 1225 K C -0.310 176.142 176.600 -0.246 0.000 0.993 1225 K CA 0.170 56.353 56.287 -0.173 0.000 1.030 1225 K CB 0.837 33.151 32.500 -0.310 0.000 0.891 1225 K HN -0.169 nan 8.250 nan 0.000 0.488 1226 V N 4.134 123.915 119.914 -0.222 0.000 2.407 1226 V HA 0.015 4.135 4.120 0.000 0.000 0.278 1226 V C 1.038 176.980 176.094 -0.253 0.000 1.037 1226 V CA -0.335 61.804 62.300 -0.267 0.000 0.900 1226 V CB 1.325 32.965 31.823 -0.305 0.000 0.983 1226 V HN 0.757 nan 8.190 nan 0.000 0.459 1227 V N 2.037 121.775 119.914 -0.294 0.000 3.660 1227 V HA 0.777 4.897 4.120 0.000 0.000 0.276 1227 V C 0.720 176.742 176.094 -0.120 0.000 1.317 1227 V CA 0.991 63.183 62.300 -0.180 0.000 1.097 1227 V CB -0.224 31.430 31.823 -0.281 0.000 0.863 1227 V HN 1.100 nan 8.190 nan 0.000 0.438 1228 G N -0.833 107.794 108.800 -0.289 0.000 2.351 1228 G HA2 0.404 4.364 3.960 0.000 0.000 0.279 1228 G HA3 0.404 4.364 3.960 0.000 0.000 0.279 1228 G C -1.957 172.600 174.900 -0.571 0.000 1.297 1228 G CA -0.430 44.507 45.100 -0.272 0.000 0.886 1228 G HN 0.198 nan 8.290 nan 0.000 0.493 1229 Y N -0.465 119.789 120.300 -0.076 0.000 2.581 1229 Y HA 0.714 5.264 4.550 -0.000 0.000 0.345 1229 Y C 1.017 176.834 175.900 -0.138 0.000 1.036 1229 Y CA -0.238 57.815 58.100 -0.078 0.000 1.042 1229 Y CB 1.753 40.185 38.460 -0.046 0.000 1.289 1229 Y HN 0.875 nan 8.280 nan 0.000 0.471 1230 T N -3.224 111.357 114.554 0.046 0.000 2.770 1230 T HA 0.148 4.499 4.350 0.000 0.000 0.281 1230 T C 0.502 175.173 174.700 -0.049 0.000 0.981 1230 T CA -0.133 61.932 62.100 -0.057 0.000 0.955 1230 T CB 0.261 69.146 68.868 0.028 0.000 1.060 1230 T HN 0.584 nan 8.240 nan 0.000 0.531 1231 Y N -0.280 120.055 120.300 0.060 0.000 2.574 1231 Y HA 0.025 4.575 4.550 0.000 0.000 0.294 1231 Y C 1.848 177.770 175.900 0.036 0.000 1.142 1231 Y CA 0.494 58.621 58.100 0.044 0.000 1.314 1231 Y CB -0.108 38.371 38.460 0.033 0.000 0.991 1231 Y HN 0.560 nan 8.280 nan 0.000 0.555 1232 D N -1.035 119.466 120.400 0.170 0.000 2.325 1232 D HA 0.137 4.777 4.640 0.000 0.000 0.225 1232 D C 1.716 178.066 176.300 0.084 0.000 1.096 1232 D CA 0.867 54.934 54.000 0.112 0.000 0.844 1232 D CB 0.129 40.987 40.800 0.097 0.000 0.925 1232 D HN 0.356 nan 8.370 nan 0.000 0.513 1233 G N 1.592 110.443 108.800 0.085 0.000 2.162 1233 G HA2 -0.330 3.630 3.960 0.000 0.000 0.260 1233 G HA3 -0.330 3.630 3.960 0.000 0.000 0.260 1233 G C 0.460 175.469 174.900 0.182 0.000 0.976 1233 G CA 0.199 45.336 45.100 0.062 0.000 0.655 1233 G HN 0.396 nan 8.290 nan 0.000 0.533 1234 K N 1.203 121.707 120.400 0.175 0.000 2.312 1234 K HA 0.464 4.784 4.320 0.000 0.000 0.287 1234 K C -2.366 174.333 176.600 0.164 0.000 1.062 1234 K CA -1.935 54.449 56.287 0.162 0.000 0.934 1234 K CB 0.896 33.451 32.500 0.092 0.000 1.027 1234 K HN 0.017 nan 8.250 nan 0.000 0.478 1235 P HA -0.029 nan 4.420 nan 0.000 0.268 1235 P C -1.246 175.972 177.300 -0.137 0.000 1.204 1235 P CA -0.294 62.734 63.100 -0.120 0.000 0.768 1235 P CB 0.836 32.512 31.700 -0.041 0.000 0.842 1236 V N 3.574 123.340 119.914 -0.247 0.000 2.349 1236 V HA 0.283 4.403 4.120 0.000 0.000 0.284 1236 V C 0.685 176.637 176.094 -0.237 0.000 1.014 1236 V CA -0.434 61.746 62.300 -0.201 0.000 0.826 1236 V CB 1.047 32.745 31.823 -0.209 0.000 1.009 1236 V HN 0.612 nan 8.190 nan 0.000 0.431 1237 T N 2.056 116.498 114.554 -0.187 0.000 2.824 1237 T HA 0.594 4.944 4.350 0.000 0.000 0.277 1237 T C 1.456 176.020 174.700 -0.228 0.000 0.975 1237 T CA 0.135 62.114 62.100 -0.202 0.000 0.966 1237 T CB 1.746 70.537 68.868 -0.129 0.000 1.054 1237 T HN 0.623 nan 8.240 nan 0.000 0.533 1238 A N 0.392 123.051 122.820 -0.269 0.000 1.972 1238 A HA 0.178 4.498 4.320 0.000 0.000 0.219 1238 A C 2.436 179.916 177.584 -0.175 0.000 1.169 1238 A CA 1.685 53.550 52.037 -0.286 0.000 0.635 1238 A CB -1.690 17.094 19.000 -0.361 0.000 0.810 1238 A HN 1.082 nan 8.150 nan 0.000 0.446 1239 G N -0.073 108.650 108.800 -0.128 0.000 2.422 1239 G HA2 -0.240 3.720 3.960 0.000 0.000 0.218 1239 G HA3 -0.240 3.720 3.960 0.000 0.000 0.218 1239 G C 1.085 175.940 174.900 -0.075 0.000 1.146 1239 G CA 1.094 46.146 45.100 -0.080 0.000 0.769 1239 G HN 0.538 nan 8.290 nan 0.000 0.547 1240 D N 0.225 120.569 120.400 -0.094 0.000 2.310 1240 D HA -0.012 4.628 4.640 0.000 0.000 0.212 1240 D C 2.192 178.442 176.300 -0.083 0.000 0.965 1240 D CA 0.448 54.399 54.000 -0.082 0.000 0.879 1240 D CB 0.223 40.962 40.800 -0.102 0.000 0.921 1240 D HN 0.326 nan 8.370 nan 0.000 0.510 1241 L N 0.451 121.609 121.223 -0.108 0.000 2.585 1241 L HA 0.035 4.375 4.340 0.000 0.000 0.226 1241 L C 0.106 176.952 176.870 -0.040 0.000 1.113 1241 L CA 0.101 54.892 54.840 -0.082 0.000 0.876 1241 L CB 0.192 42.167 42.059 -0.140 0.000 1.072 1241 L HN -0.162 nan 8.230 nan 0.000 0.468 1242 E N -0.402 119.770 120.200 -0.046 0.000 2.340 1242 E HA -0.254 4.096 4.350 0.000 0.000 0.240 1242 E C 0.668 177.249 176.600 -0.032 0.000 1.154 1242 E CA 0.703 57.087 56.400 -0.027 0.000 0.717 1242 E CB -1.468 28.228 29.700 -0.006 0.000 1.250 1242 E HN 0.533 nan 8.360 nan 0.000 0.386 1243 A N 0.356 123.139 122.820 -0.062 0.000 2.431 1243 A HA -0.014 4.306 4.320 0.000 0.000 0.239 1243 A C 2.102 179.650 177.584 -0.060 0.000 1.230 1243 A CA 0.431 52.423 52.037 -0.075 0.000 0.928 1243 A CB 0.222 19.140 19.000 -0.137 0.000 1.006 1243 A HN 0.257 nan 8.150 nan 0.000 0.520 1244 Q N 0.126 119.916 119.800 -0.018 0.000 2.167 1244 Q HA -0.084 4.256 4.340 0.000 0.000 0.202 1244 Q C 1.705 177.764 176.000 0.098 0.000 0.970 1244 Q CA 1.919 57.766 55.803 0.072 0.000 0.855 1244 Q CB -1.218 27.565 28.738 0.075 0.000 0.911 1244 Q HN 0.364 nan 8.270 nan 0.000 0.438 1245 G N 1.459 110.288 108.800 0.048 0.000 2.484 1245 G HA2 -0.252 3.708 3.960 0.000 0.000 0.215 1245 G HA3 -0.252 3.708 3.960 0.000 0.000 0.215 1245 G C 1.597 176.532 174.900 0.058 0.000 1.219 1245 G CA 1.318 46.448 45.100 0.051 0.000 0.791 1245 G HN 0.462 nan 8.290 nan 0.000 0.550 1246 S N 0.527 116.248 115.700 0.034 0.000 2.374 1246 S HA -0.148 4.322 4.470 0.000 0.000 0.227 1246 S C 2.414 177.040 174.600 0.043 0.000 1.037 1246 S CA 1.656 59.876 58.200 0.033 0.000 1.024 1246 S CB -0.318 62.892 63.200 0.016 0.000 0.861 1246 S HN 0.334 nan 8.310 nan 0.000 0.456 1247 M N 0.998 120.605 119.600 0.012 0.000 2.149 1247 M HA -0.140 4.340 4.480 0.000 0.000 0.261 1247 M C 2.467 178.868 176.300 0.168 0.000 1.064 1247 M CA 1.450 56.725 55.300 -0.041 0.000 1.102 1247 M CB -0.552 31.841 32.600 -0.345 0.000 1.369 1247 M HN 0.427 nan 8.290 nan 0.000 0.408 1248 A N 0.311 123.279 122.820 0.247 0.000 1.877 1248 A HA -0.173 4.147 4.320 0.000 0.000 0.216 1248 A C 2.060 179.741 177.584 0.163 0.000 1.186 1248 A CA 1.443 53.632 52.037 0.253 0.000 0.620 1248 A CB -0.900 18.197 19.000 0.161 0.000 0.822 1248 A HN 0.442 nan 8.150 nan 0.000 0.443 1249 L N -0.503 120.788 121.223 0.113 0.000 2.042 1249 L HA -0.135 4.205 4.340 0.000 0.000 0.210 1249 L C 1.968 178.894 176.870 0.093 0.000 1.076 1249 L CA 1.600 56.491 54.840 0.085 0.000 0.749 1249 L CB -0.493 41.603 42.059 0.062 0.000 0.893 1249 L HN 0.257 nan 8.230 nan 0.000 0.432 1250 L N -0.773 120.514 121.223 0.106 0.000 2.353 1250 L HA -0.126 4.214 4.340 0.000 0.000 0.220 1250 L C 2.079 179.032 176.870 0.138 0.000 1.133 1250 L CA 1.285 56.193 54.840 0.113 0.000 0.798 1250 L CB -1.062 41.075 42.059 0.130 0.000 0.922 1250 L HN 0.419 nan 8.230 nan 0.000 0.445 1251 M N -1.504 118.195 119.600 0.165 0.000 2.441 1251 M HA -0.005 4.475 4.480 0.000 0.000 0.244 1251 M C 1.873 178.253 176.300 0.132 0.000 1.122 1251 M CA 0.210 55.617 55.300 0.178 0.000 1.041 1251 M CB -0.510 32.240 32.600 0.250 0.000 1.438 1251 M HN 0.167 nan 8.290 nan 0.000 0.484 1252 K N 1.302 121.767 120.400 0.108 0.000 2.127 1252 K HA -0.259 4.061 4.320 0.000 0.000 0.212 1252 K C 0.883 177.530 176.600 0.079 0.000 1.050 1252 K CA 2.239 58.575 56.287 0.082 0.000 0.929 1252 K CB 0.165 32.705 32.500 0.068 0.000 0.715 1252 K HN 0.247 nan 8.250 nan 0.000 0.457 1253 D N -0.612 119.843 120.400 0.091 0.000 2.197 1253 D HA 0.017 4.657 4.640 0.000 0.000 0.212 1253 D C 1.814 178.162 176.300 0.080 0.000 0.963 1253 D CA 1.175 55.229 54.000 0.091 0.000 0.864 1253 D CB -0.392 40.482 40.800 0.124 0.000 1.009 1253 D HN 0.322 nan 8.370 nan 0.000 0.479 1254 A N 1.058 123.946 122.820 0.114 0.000 2.032 1254 A HA -0.175 4.145 4.320 0.000 0.000 0.221 1254 A C 2.138 179.854 177.584 0.221 0.000 1.165 1254 A CA 0.834 52.962 52.037 0.153 0.000 0.645 1254 A CB -0.679 18.428 19.000 0.177 0.000 0.807 1254 A HN 0.215 nan 8.150 nan 0.000 0.453 1255 I N -0.306 120.356 120.570 0.153 0.000 2.361 1255 I HA -0.121 4.049 4.170 0.000 0.000 0.251 1255 I C 0.681 176.881 176.117 0.138 0.000 1.133 1255 I CA 0.865 62.261 61.300 0.159 0.000 1.413 1255 I CB -0.250 37.800 38.000 0.083 0.000 1.073 1255 I HN 0.183 nan 8.210 nan 0.000 0.424 1256 K N 3.341 123.728 120.400 -0.020 0.000 2.350 1256 K HA 0.190 4.510 4.320 0.000 0.000 0.279 1256 K C -2.237 173.984 176.600 -0.632 0.000 1.027 1256 K CA -1.620 54.563 56.287 -0.174 0.000 0.969 1256 K CB -0.107 32.330 32.500 -0.105 0.000 0.954 1256 K HN 0.119 nan 8.250 nan 0.000 0.474 1257 P HA 0.044 nan 4.420 nan 0.000 0.276 1257 P C -1.148 175.641 177.300 -0.852 0.000 1.244 1257 P CA -0.467 61.895 63.100 -1.230 0.000 0.801 1257 P CB 0.693 31.787 31.700 -1.009 0.000 1.006 1258 N N 1.752 120.020 118.700 -0.720 0.000 2.419 1258 N HA 0.259 4.999 4.740 0.000 0.000 0.277 1258 N C -0.514 174.911 175.510 -0.141 0.000 1.006 1258 N CA -0.466 52.379 53.050 -0.342 0.000 0.923 1258 N CB 0.938 39.353 38.487 -0.120 0.000 1.140 1258 N HN 0.332 nan 8.380 nan 0.000 0.488 1259 L N 3.972 125.260 121.223 0.108 0.000 2.264 1259 L HA 0.443 4.783 4.340 0.000 0.000 0.289 1259 L C -0.038 176.971 176.870 0.230 0.000 1.044 1259 L CA -0.324 54.749 54.840 0.388 0.000 0.807 1259 L CB 0.561 42.859 42.059 0.399 0.000 1.192 1259 L HN 0.417 nan 8.230 nan 0.000 0.425 1260 V N 2.422 122.489 119.914 0.255 0.000 3.703 1260 V HA 0.769 4.889 4.120 0.000 0.000 0.306 1260 V C -0.897 175.289 176.094 0.154 0.000 1.407 1260 V CA -0.428 61.989 62.300 0.195 0.000 0.974 1260 V CB 1.222 33.183 31.823 0.231 0.000 1.188 1260 V HN 0.881 nan 8.190 nan 0.000 0.477 1261 Q N -1.123 118.747 119.800 0.116 0.000 2.685 1261 Q HA 0.577 4.917 4.340 0.000 0.000 0.301 1261 Q C -1.199 174.828 176.000 0.046 0.000 0.924 1261 Q CA -0.772 55.076 55.803 0.074 0.000 0.755 1261 Q CB 1.552 30.322 28.738 0.054 0.000 1.470 1261 Q HN 0.658 nan 8.270 nan 0.000 0.434 1262 T N 0.450 115.022 114.554 0.031 0.000 2.814 1262 T HA 0.323 4.673 4.350 0.000 0.000 0.284 1262 T C 1.199 175.898 174.700 -0.001 0.000 0.998 1262 T CA -0.648 61.462 62.100 0.017 0.000 0.935 1262 T CB 0.274 69.155 68.868 0.023 0.000 1.167 1262 T HN 0.502 nan 8.240 nan 0.000 0.545 1263 L N 0.048 121.268 121.223 -0.005 0.000 2.395 1263 L HA 0.084 4.424 4.340 0.000 0.000 0.218 1263 L C 1.558 178.433 176.870 0.008 0.000 1.130 1263 L CA 1.224 56.056 54.840 -0.013 0.000 0.826 1263 L CB -0.221 41.829 42.059 -0.016 0.000 0.941 1263 L HN 0.672 nan 8.230 nan 0.000 0.451 1264 E N 0.191 120.401 120.200 0.018 0.000 2.511 1264 E HA 0.088 4.438 4.350 0.000 0.000 0.214 1264 E C -0.247 176.361 176.600 0.014 0.000 1.062 1264 E CA -0.208 56.203 56.400 0.019 0.000 1.213 1264 E CB 0.009 29.724 29.700 0.025 0.000 1.214 1264 E HN 0.359 nan 8.360 nan 0.000 0.441 1265 N N 0.502 119.206 118.700 0.008 0.000 2.666 1265 N HA -0.178 4.562 4.740 0.000 0.000 0.248 1265 N C -0.672 174.850 175.510 0.019 0.000 1.118 1265 N CA 0.794 53.851 53.050 0.012 0.000 0.722 1265 N CB -0.882 37.613 38.487 0.012 0.000 1.050 1265 N HN 0.116 nan 8.380 nan 0.000 0.550 1266 T N 1.029 115.596 114.554 0.021 0.000 2.851 1266 T HA 0.272 4.622 4.350 0.000 0.000 0.298 1266 T C -2.203 172.511 174.700 0.024 0.000 0.977 1266 T CA -1.018 61.094 62.100 0.020 0.000 1.126 1266 T CB 1.158 70.040 68.868 0.023 0.000 0.916 1266 T HN -0.109 nan 8.240 nan 0.000 0.529 1267 P HA 0.244 nan 4.420 nan 0.000 0.261 1267 P C -1.183 176.132 177.300 0.026 0.000 1.183 1267 P CA 0.054 63.157 63.100 0.004 0.000 0.761 1267 P CB 0.261 31.928 31.700 -0.054 0.000 0.785 1268 A N 4.342 127.214 122.820 0.086 0.000 2.335 1268 A HA 0.576 4.896 4.320 0.000 0.000 0.304 1268 A C -1.273 176.486 177.584 0.292 0.000 1.118 1268 A CA -0.402 51.718 52.037 0.139 0.000 0.757 1268 A CB 0.411 19.477 19.000 0.111 0.000 1.188 1268 A HN 0.293 nan 8.150 nan 0.000 0.460 1269 F N 2.628 122.618 119.950 0.066 0.000 2.404 1269 F HA 0.515 5.042 4.527 0.000 0.000 0.354 1269 F C 0.035 175.890 175.800 0.091 0.000 1.122 1269 F CA -1.251 56.798 58.000 0.082 0.000 1.080 1269 F CB 1.435 40.484 39.000 0.082 0.000 1.131 1269 F HN 0.511 nan 8.300 nan 0.000 0.471 1270 I N 6.204 126.867 120.570 0.156 0.000 2.420 1270 I HA 0.341 4.511 4.170 0.000 0.000 0.282 1270 I C -1.618 174.548 176.117 0.081 0.000 1.019 1270 I CA -0.230 61.114 61.300 0.073 0.000 1.130 1270 I CB 0.485 38.481 38.000 -0.006 0.000 1.262 1270 I HN 0.620 nan 8.210 nan 0.000 0.454 1271 H N 6.112 125.132 119.070 -0.083 0.000 3.017 1271 H HA 0.549 5.105 4.556 0.000 0.000 0.340 1271 H C -0.173 175.124 175.328 -0.052 0.000 1.014 1271 H CA 0.153 56.148 56.048 -0.089 0.000 1.341 1271 H CB 1.707 31.358 29.762 -0.186 0.000 1.739 1271 H HN 0.963 nan 8.280 nan 0.000 0.506 1272 G N 1.768 110.502 108.800 -0.110 0.000 2.631 1272 G HA2 0.251 4.211 3.960 0.000 0.000 0.504 1272 G HA3 0.251 4.211 3.960 0.000 0.000 0.504 1272 G C -0.087 174.760 174.900 -0.088 0.000 1.306 1272 G CA -0.514 44.489 45.100 -0.160 0.000 0.897 1272 G HN 1.346 nan 8.290 nan 0.000 0.520 1273 G N -0.063 108.691 108.800 -0.076 0.000 3.541 1273 G HA2 0.634 4.594 3.960 0.000 0.000 0.236 1273 G HA3 0.634 4.594 3.960 0.000 0.000 0.236 1273 G C -2.040 172.845 174.900 -0.024 0.000 3.926 1273 G CA 0.731 45.789 45.100 -0.070 0.000 0.465 1273 G HN 0.832 nan 8.290 nan 0.000 0.274 1274 P HA 0.596 nan 4.420 nan 0.000 0.282 1274 P C -0.399 176.964 177.300 0.105 0.000 1.287 1274 P CA -0.621 62.508 63.100 0.048 0.000 0.792 1274 P CB 1.287 33.017 31.700 0.051 0.000 1.163 1275 F N -0.832 119.065 119.950 -0.088 0.000 2.380 1275 F HA 0.370 4.897 4.527 -0.000 0.000 0.325 1275 F C 1.650 177.329 175.800 -0.202 0.000 1.136 1275 F CA -0.218 57.707 58.000 -0.124 0.000 1.171 1275 F CB 0.359 39.337 39.000 -0.036 0.000 1.230 1275 F HN 0.383 nan 8.300 nan 0.000 0.554 1276 A N 2.089 124.675 122.820 -0.389 0.000 2.063 1276 A HA 0.021 4.341 4.320 0.000 0.000 0.211 1276 A C 1.517 179.060 177.584 -0.068 0.000 1.177 1276 A CA 0.723 52.441 52.037 -0.531 0.000 0.759 1276 A CB -0.666 17.394 19.000 -1.566 0.000 0.857 1276 A HN 0.841 nan 8.150 nan 0.000 0.468 1277 N N -0.474 118.331 118.700 0.176 0.000 2.240 1277 N HA -0.013 4.727 4.740 0.000 0.000 0.187 1277 N C 1.233 176.898 175.510 0.258 0.000 1.042 1277 N CA 0.805 54.069 53.050 0.358 0.000 0.861 1277 N CB -0.261 38.460 38.487 0.390 0.000 1.026 1277 N HN 0.149 nan 8.380 nan 0.000 0.441 1278 I N 1.004 121.751 120.570 0.295 0.000 3.176 1278 I HA 0.077 4.247 4.170 0.000 0.000 0.275 1278 I C 0.839 177.078 176.117 0.203 0.000 1.298 1278 I CA 0.068 61.508 61.300 0.233 0.000 1.445 1278 I CB -0.614 37.524 38.000 0.229 0.000 1.075 1278 I HN 0.379 nan 8.210 nan 0.000 0.482 1279 A N -1.172 121.783 122.820 0.224 0.000 2.566 1279 A HA 0.474 4.794 4.320 0.000 0.000 0.291 1279 A C 0.615 178.334 177.584 0.224 0.000 1.278 1279 A CA -0.118 52.057 52.037 0.230 0.000 0.711 1279 A CB 0.164 19.318 19.000 0.257 0.000 1.332 1279 A HN 0.325 nan 8.150 nan 0.000 0.478 1280 H N -0.545 118.539 119.070 0.023 0.000 2.539 1280 H HA 0.283 4.839 4.556 0.000 0.000 0.269 1280 H C 1.018 176.316 175.328 -0.050 0.000 0.980 1280 H CA 0.644 56.688 56.048 -0.007 0.000 1.152 1280 H CB -0.724 29.020 29.762 -0.030 0.000 1.407 1280 H HN 1.817 nan 8.280 nan 0.000 0.564 1281 G N 1.124 109.676 108.800 -0.414 0.000 2.366 1281 G HA2 -0.280 3.680 3.960 0.000 0.000 0.299 1281 G HA3 -0.280 3.680 3.960 0.000 0.000 0.299 1281 G C -0.291 174.330 174.900 -0.464 0.000 1.020 1281 G CA 0.511 45.344 45.100 -0.445 0.000 1.026 1281 G HN 0.623 nan 8.290 nan 0.000 0.512 1282 C N -0.128 118.730 119.300 -0.736 0.000 2.634 1282 C HA 0.681 5.142 4.460 0.000 0.000 0.313 1282 C C 0.681 175.540 174.990 -0.219 0.000 1.198 1282 C CA -0.795 58.016 59.018 -0.345 0.000 1.605 1282 C CB 1.362 29.026 27.740 -0.127 0.000 2.196 1282 C HN 0.929 nan 8.230 nan 0.000 0.486 1283 N N 0.998 119.662 118.700 -0.059 0.000 2.326 1283 N HA 0.275 5.015 4.740 0.000 0.000 0.239 1283 N C 0.153 175.662 175.510 -0.003 0.000 1.301 1283 N CA -0.117 52.915 53.050 -0.031 0.000 0.909 1283 N CB 0.364 38.870 38.487 0.032 0.000 1.156 1283 N HN 0.803 nan 8.380 nan 0.000 0.462 1284 S N -0.462 115.203 115.700 -0.059 0.000 2.572 1284 S HA 0.044 4.514 4.470 0.000 0.000 0.267 1284 S C 1.047 175.655 174.600 0.013 0.000 1.361 1284 S CA -0.572 57.585 58.200 -0.073 0.000 1.009 1284 S CB 0.044 63.081 63.200 -0.272 0.000 0.888 1284 S HN 0.596 nan 8.310 nan 0.000 0.553 1285 I N 0.743 121.295 120.570 -0.030 0.000 2.385 1285 I HA -0.031 4.139 4.170 0.000 0.000 0.244 1285 I C 2.253 178.393 176.117 0.038 0.000 1.089 1285 I CA 0.846 62.115 61.300 -0.052 0.000 1.410 1285 I CB -0.474 37.404 38.000 -0.202 0.000 1.117 1285 I HN 0.827 nan 8.210 nan 0.000 0.429 1286 I N 0.680 121.245 120.570 -0.008 0.000 2.381 1286 I HA -0.276 3.894 4.170 0.000 0.000 0.255 1286 I C 2.351 178.541 176.117 0.122 0.000 1.140 1286 I CA 1.817 63.114 61.300 -0.005 0.000 1.404 1286 I CB -1.107 36.898 38.000 0.009 0.000 1.075 1286 I HN 0.085 nan 8.210 nan 0.000 0.433 1287 A N 0.855 123.795 122.820 0.200 0.000 1.832 1287 A HA -0.090 4.230 4.320 0.000 0.000 0.214 1287 A C 2.354 180.184 177.584 0.411 0.000 1.204 1287 A CA 2.249 54.469 52.037 0.306 0.000 0.606 1287 A CB -1.473 17.670 19.000 0.238 0.000 0.849 1287 A HN 0.478 nan 8.150 nan 0.000 0.445 1288 T N 0.848 115.612 114.554 0.349 0.000 2.803 1288 T HA -0.167 4.183 4.350 0.000 0.000 0.269 1288 T C 1.772 176.650 174.700 0.296 0.000 1.052 1288 T CA 1.874 64.181 62.100 0.345 0.000 1.136 1288 T CB -0.365 68.769 68.868 0.443 0.000 0.864 1288 T HN 0.788 nan 8.240 nan 0.000 0.467 1289 K N 0.512 121.147 120.400 0.393 0.000 2.504 1289 K HA 0.058 4.378 4.320 0.000 0.000 0.195 1289 K C 1.868 178.624 176.600 0.260 0.000 1.036 1289 K CA 0.981 57.459 56.287 0.318 0.000 0.984 1289 K CB -0.060 32.601 32.500 0.269 0.000 0.788 1289 K HN 0.095 nan 8.250 nan 0.000 0.488 1290 T N 0.679 115.388 114.554 0.259 0.000 2.904 1290 T HA 0.139 4.489 4.350 0.000 0.000 0.243 1290 T C 1.972 176.752 174.700 0.133 0.000 1.024 1290 T CA 0.792 63.057 62.100 0.274 0.000 1.158 1290 T CB -0.140 68.951 68.868 0.373 0.000 0.867 1290 T HN 0.384 nan 8.240 nan 0.000 0.429 1291 A N 1.454 124.322 122.820 0.082 0.000 1.986 1291 A HA -0.065 4.255 4.320 0.000 0.000 0.220 1291 A C 2.231 179.782 177.584 -0.055 0.000 1.171 1291 A CA 1.284 53.262 52.037 -0.098 0.000 0.640 1291 A CB -0.993 17.960 19.000 -0.078 0.000 0.811 1291 A HN 0.487 nan 8.150 nan 0.000 0.451 1292 L N -1.341 119.874 121.223 -0.013 0.000 1.989 1292 L HA -0.244 4.097 4.340 0.000 0.000 0.211 1292 L C 2.662 179.503 176.870 -0.049 0.000 1.071 1292 L CA 1.934 56.736 54.840 -0.062 0.000 0.749 1292 L CB -0.422 41.576 42.059 -0.102 0.000 0.890 1292 L HN 0.230 nan 8.230 nan 0.000 0.431 1293 K N 0.307 120.710 120.400 0.005 0.000 2.026 1293 K HA -0.088 4.232 4.320 0.000 0.000 0.208 1293 K C 1.674 178.247 176.600 -0.045 0.000 1.048 1293 K CA 1.223 57.502 56.287 -0.012 0.000 0.929 1293 K CB -0.440 32.077 32.500 0.027 0.000 0.713 1293 K HN 0.214 nan 8.250 nan 0.000 0.439 1294 L N -0.228 120.965 121.223 -0.051 0.000 2.660 1294 L HA 0.255 4.595 4.340 0.000 0.000 0.238 1294 L C 0.195 177.003 176.870 -0.102 0.000 1.161 1294 L CA -0.412 54.380 54.840 -0.079 0.000 0.937 1294 L CB -0.470 41.527 42.059 -0.103 0.000 1.122 1294 L HN 0.021 nan 8.230 nan 0.000 0.435 1295 A N -1.286 121.468 122.820 -0.109 0.000 2.605 1295 A HA 0.377 4.697 4.320 0.000 0.000 0.294 1295 A C -0.399 177.068 177.584 -0.194 0.000 1.062 1295 A CA -0.603 51.355 52.037 -0.132 0.000 0.682 1295 A CB 1.061 19.995 19.000 -0.109 0.000 1.278 1295 A HN -0.031 nan 8.150 nan 0.000 0.410 1296 D N -0.295 119.922 120.400 -0.305 0.000 2.123 1296 D HA 0.071 4.711 4.640 0.000 0.000 0.200 1296 D C -0.321 175.548 176.300 -0.717 0.000 0.976 1296 D CA 2.286 55.926 54.000 -0.601 0.000 0.831 1296 D CB -0.070 40.180 40.800 -0.918 0.000 0.974 1296 D HN 0.498 nan 8.370 nan 0.000 0.469 1297 Y N -0.891 119.384 120.300 -0.042 0.000 2.462 1297 Y HA 0.524 5.074 4.550 0.000 0.000 0.346 1297 Y C -0.249 175.625 175.900 -0.044 0.000 0.976 1297 Y CA -1.192 56.883 58.100 -0.041 0.000 1.044 1297 Y CB 2.074 40.516 38.460 -0.031 0.000 1.230 1297 Y HN -0.430 nan 8.280 nan 0.000 0.455 1298 V N 3.573 123.551 119.914 0.106 0.000 2.409 1298 V HA 0.374 4.494 4.120 0.000 0.000 0.290 1298 V C -0.789 175.340 176.094 0.058 0.000 1.017 1298 V CA -0.902 61.429 62.300 0.051 0.000 0.841 1298 V CB 1.580 33.407 31.823 0.006 0.000 1.003 1298 V HN 0.566 nan 8.190 nan 0.000 0.426 1299 V N 4.383 124.329 119.914 0.052 0.000 2.334 1299 V HA 0.505 4.625 4.120 0.000 0.000 0.267 1299 V C 0.395 176.509 176.094 0.033 0.000 1.040 1299 V CA 0.151 62.468 62.300 0.029 0.000 0.866 1299 V CB 1.310 33.143 31.823 0.017 0.000 1.019 1299 V HN 0.934 nan 8.190 nan 0.000 0.468 1300 T N 4.336 118.901 114.554 0.019 0.000 2.916 1300 T HA 0.691 5.041 4.350 0.000 0.000 0.292 1300 T C -0.605 174.042 174.700 -0.088 0.000 1.064 1300 T CA -0.545 61.570 62.100 0.025 0.000 1.011 1300 T CB 1.899 70.850 68.868 0.138 0.000 1.152 1300 T HN 0.904 nan 8.240 nan 0.000 0.510 1301 E N 1.072 121.216 120.200 -0.094 0.000 2.431 1301 E HA 0.822 5.172 4.350 0.000 0.000 0.268 1301 E C -1.390 175.090 176.600 -0.199 0.000 0.953 1301 E CA -1.408 54.880 56.400 -0.188 0.000 0.810 1301 E CB 1.858 31.476 29.700 -0.137 0.000 1.369 1301 E HN 0.706 nan 8.360 nan 0.000 0.440 1302 A N 0.252 122.926 122.820 -0.243 0.000 2.515 1302 A HA 0.696 5.016 4.320 0.000 0.000 0.298 1302 A C -0.107 177.343 177.584 -0.223 0.000 1.059 1302 A CA -0.356 51.550 52.037 -0.218 0.000 0.698 1302 A CB 1.470 20.325 19.000 -0.241 0.000 1.289 1302 A HN 0.730 nan 8.150 nan 0.000 0.404 1303 G N 0.347 108.984 108.800 -0.271 0.000 2.554 1303 G HA2 0.530 4.490 3.960 0.000 0.000 0.238 1303 G HA3 0.530 4.490 3.960 0.000 0.000 0.238 1303 G C 0.003 174.759 174.900 -0.240 0.000 1.259 1303 G CA 0.403 45.288 45.100 -0.358 0.000 0.843 1303 G HN 1.065 nan 8.290 nan 0.000 0.582 1304 F N -1.308 118.527 119.950 -0.192 0.000 2.183 1304 F HA -0.144 4.383 4.527 -0.000 0.000 0.318 1304 F C 1.457 177.124 175.800 -0.222 0.000 0.129 1304 F CA 0.324 58.197 58.000 -0.212 0.000 0.912 1304 F CB -1.386 37.506 39.000 -0.179 0.000 4.135 1304 F HN 0.953 nan 8.300 nan 0.000 0.137 1305 G N -0.416 108.376 108.800 -0.013 0.000 2.616 1305 G HA2 0.559 4.519 3.960 0.000 0.000 0.268 1305 G HA3 0.559 4.519 3.960 0.000 0.000 0.268 1305 G C 0.733 175.521 174.900 -0.187 0.000 1.213 1305 G CA -0.091 44.890 45.100 -0.199 0.000 0.926 1305 G HN 1.310 nan 8.290 nan 0.000 0.523 1306 A N -0.045 122.555 122.820 -0.366 0.000 2.070 1306 A HA -0.080 4.240 4.320 0.000 0.000 0.220 1306 A C 1.982 179.579 177.584 0.021 0.000 1.159 1306 A CA 2.055 53.975 52.037 -0.195 0.000 0.656 1306 A CB -0.400 18.479 19.000 -0.201 0.000 0.800 1306 A HN 0.724 nan 8.150 nan 0.000 0.453 1307 D N -0.349 120.134 120.400 0.137 0.000 2.309 1307 D HA -0.106 4.534 4.640 0.000 0.000 0.212 1307 D C 1.543 177.930 176.300 0.145 0.000 0.968 1307 D CA 1.078 55.200 54.000 0.204 0.000 0.882 1307 D CB -0.172 40.784 40.800 0.259 0.000 0.918 1307 D HN 0.520 nan 8.370 nan 0.000 0.503 1308 L N -0.438 120.872 121.223 0.144 0.000 2.675 1308 L HA 0.280 4.620 4.340 0.000 0.000 0.178 1308 L C 2.656 179.595 176.870 0.115 0.000 1.135 1308 L CA 0.596 55.557 54.840 0.202 0.000 0.855 1308 L CB -0.604 41.639 42.059 0.307 0.000 1.235 1308 L HN 0.065 nan 8.230 nan 0.000 0.499 1309 G N 0.201 109.029 108.800 0.048 0.000 2.552 1309 G HA2 -0.272 3.688 3.960 0.000 0.000 0.216 1309 G HA3 -0.272 3.688 3.960 0.000 0.000 0.216 1309 G C 1.697 176.523 174.900 -0.123 0.000 1.240 1309 G CA 1.091 46.159 45.100 -0.053 0.000 0.796 1309 G HN 0.395 nan 8.290 nan 0.000 0.568 1310 A N 1.404 124.069 122.820 -0.258 0.000 1.903 1310 A HA -0.207 4.113 4.320 0.000 0.000 0.219 1310 A C 2.218 179.439 177.584 -0.605 0.000 1.191 1310 A CA 2.801 54.493 52.037 -0.574 0.000 0.638 1310 A CB -0.696 18.028 19.000 -0.460 0.000 0.823 1310 A HN 0.585 nan 8.150 nan 0.000 0.451 1311 E N 0.441 120.529 120.200 -0.187 0.000 2.058 1311 E HA -0.217 4.133 4.350 0.000 0.000 0.194 1311 E C 1.770 178.413 176.600 0.071 0.000 0.997 1311 E CA 2.187 58.599 56.400 0.020 0.000 0.801 1311 E CB -0.425 29.382 29.700 0.179 0.000 0.746 1311 E HN 0.639 nan 8.360 nan 0.000 0.450 1312 K N -0.803 119.642 120.400 0.075 0.000 2.228 1312 K HA -0.006 4.314 4.320 0.000 0.000 0.202 1312 K C 2.011 178.639 176.600 0.047 0.000 1.051 1312 K CA 0.973 57.323 56.287 0.105 0.000 0.960 1312 K CB -0.330 32.260 32.500 0.150 0.000 0.743 1312 K HN 0.166 nan 8.250 nan 0.000 0.458 1313 F N 0.755 120.599 119.950 -0.177 0.000 2.134 1313 F HA -0.233 4.294 4.527 0.000 0.000 0.299 1313 F C 1.704 177.412 175.800 -0.153 0.000 1.097 1313 F CA 1.486 59.355 58.000 -0.218 0.000 1.264 1313 F CB -0.120 38.632 39.000 -0.414 0.000 1.001 1313 F HN -0.007 nan 8.300 nan 0.000 0.479 1314 Y N -0.044 120.318 120.300 0.103 0.000 2.206 1314 Y HA -0.166 4.384 4.550 0.000 0.000 0.292 1314 Y C 2.191 178.148 175.900 0.095 0.000 1.123 1314 Y CA 0.535 58.716 58.100 0.135 0.000 1.142 1314 Y CB -0.375 38.000 38.460 -0.142 0.000 1.006 1314 Y HN -0.038 nan 8.280 nan 0.000 0.518 1315 D N -0.729 119.775 120.400 0.173 0.000 2.317 1315 D HA -0.068 4.572 4.640 0.000 0.000 0.211 1315 D C 1.696 177.914 176.300 -0.136 0.000 0.966 1315 D CA 0.788 54.796 54.000 0.013 0.000 0.876 1315 D CB 0.272 41.128 40.800 0.094 0.000 0.927 1315 D HN 0.177 nan 8.370 nan 0.000 0.519 1316 V N -0.208 119.570 119.914 -0.228 0.000 2.950 1316 V HA 0.023 4.143 4.120 0.000 0.000 0.231 1316 V C 2.150 177.786 176.094 -0.763 0.000 1.205 1316 V CA 0.248 62.208 62.300 -0.567 0.000 1.239 1316 V CB 0.091 31.645 31.823 -0.448 0.000 1.050 1316 V HN -0.072 nan 8.190 nan 0.000 0.498 1317 K N 0.059 120.133 120.400 -0.544 0.000 1.967 1317 K HA -0.186 4.134 4.320 0.000 0.000 0.212 1317 K C 2.226 178.455 176.600 -0.617 0.000 1.044 1317 K CA 2.260 58.189 56.287 -0.597 0.000 0.942 1317 K CB -0.475 31.617 32.500 -0.678 0.000 0.726 1317 K HN 0.499 nan 8.250 nan 0.000 0.440 1318 C N 0.974 119.925 119.300 -0.583 0.000 2.410 1318 C HA -0.059 4.401 4.460 0.000 0.000 0.281 1318 C C 2.722 177.645 174.990 -0.112 0.000 1.318 1318 C CA 0.582 59.393 59.018 -0.344 0.000 1.776 1318 C CB -1.077 26.525 27.740 -0.229 0.000 1.942 1318 C HN 0.546 nan 8.230 nan 0.000 0.508 1319 R N -0.174 120.260 120.500 -0.110 0.000 2.075 1319 R HA -0.100 4.240 4.340 0.000 0.000 0.230 1319 R C 2.203 178.545 176.300 0.069 0.000 1.140 1319 R CA 1.790 57.884 56.100 -0.010 0.000 0.928 1319 R CB -0.535 29.700 30.300 -0.109 0.000 0.834 1319 R HN 0.653 nan 8.270 nan 0.000 0.429 1320 Y N -0.147 120.071 120.300 -0.137 0.000 2.089 1320 Y HA -0.209 4.341 4.550 0.000 0.000 0.282 1320 Y C 2.586 178.378 175.900 -0.180 0.000 1.139 1320 Y CA 0.261 58.272 58.100 -0.149 0.000 1.123 1320 Y CB -0.330 38.019 38.460 -0.185 0.000 0.980 1320 Y HN 0.302 nan 8.280 nan 0.000 0.493 1321 A N 0.078 122.805 122.820 -0.155 0.000 1.986 1321 A HA -0.060 4.260 4.320 0.000 0.000 0.220 1321 A C 2.120 179.659 177.584 -0.074 0.000 1.171 1321 A CA 1.985 53.827 52.037 -0.326 0.000 0.640 1321 A CB -1.312 17.015 19.000 -1.120 0.000 0.811 1321 A HN 0.798 nan 8.150 nan 0.000 0.451 1322 G N -2.979 105.818 108.800 -0.005 0.000 2.176 1322 G HA2 -0.228 3.732 3.960 0.000 0.000 0.232 1322 G HA3 -0.228 3.732 3.960 0.000 0.000 0.232 1322 G C 0.258 175.316 174.900 0.264 0.000 0.986 1322 G CA -0.038 45.148 45.100 0.142 0.000 0.643 1322 G HN 0.451 nan 8.290 nan 0.000 0.522 1323 F N 0.537 120.454 119.950 -0.055 0.000 2.640 1323 F HA 0.346 4.873 4.527 0.000 0.000 0.329 1323 F C 1.473 177.158 175.800 -0.192 0.000 1.224 1323 F CA 0.406 58.336 58.000 -0.118 0.000 1.373 1323 F CB 0.361 39.246 39.000 -0.192 0.000 1.129 1323 F HN -0.079 nan 8.300 nan 0.000 0.610 1324 K N 1.153 121.505 120.400 -0.080 0.000 3.333 1324 K HA 0.208 4.528 4.320 0.000 0.000 0.173 1324 K C -2.677 173.760 176.600 -0.272 0.000 1.138 1324 K CA -1.394 54.743 56.287 -0.250 0.000 0.771 1324 K CB 0.872 33.393 32.500 0.035 0.000 0.982 1324 K HN 0.121 nan 8.250 nan 0.000 0.572 1325 P HA -0.185 nan 4.420 nan 0.000 0.258 1325 P C -0.181 177.093 177.300 -0.044 0.000 1.136 1325 P CA 0.870 63.899 63.100 -0.118 0.000 0.761 1325 P CB 0.421 32.109 31.700 -0.020 0.000 0.724 1326 D N 1.533 121.931 120.400 -0.002 0.000 2.346 1326 D HA 0.156 4.796 4.640 0.000 0.000 0.206 1326 D C 0.842 177.162 176.300 0.032 0.000 1.001 1326 D CA 0.701 54.714 54.000 0.022 0.000 0.871 1326 D CB 0.543 41.359 40.800 0.027 0.000 0.943 1326 D HN 0.411 nan 8.370 nan 0.000 0.518 1327 A N -0.442 122.398 122.820 0.033 0.000 2.567 1327 A HA 0.718 5.038 4.320 0.000 0.000 0.289 1327 A C -1.085 176.524 177.584 0.042 0.000 1.177 1327 A CA -0.420 51.635 52.037 0.030 0.000 0.694 1327 A CB 2.006 21.009 19.000 0.006 0.000 1.292 1327 A HN -0.096 nan 8.150 nan 0.000 0.425 1328 T N 0.331 114.904 114.554 0.032 0.000 4.054 1328 T HA 0.417 4.767 4.350 0.000 0.000 0.353 1328 T C -1.403 173.300 174.700 0.004 0.000 0.979 1328 T CA -0.359 61.756 62.100 0.025 0.000 1.047 1328 T CB 0.919 69.855 68.868 0.114 0.000 1.121 1328 T HN 0.823 nan 8.240 nan 0.000 0.469 1329 V N 4.587 124.481 119.914 -0.034 0.000 2.472 1329 V HA 0.621 4.741 4.120 0.000 0.000 0.290 1329 V C 0.092 176.157 176.094 -0.049 0.000 1.037 1329 V CA -0.872 61.409 62.300 -0.032 0.000 0.908 1329 V CB 1.741 33.540 31.823 -0.040 0.000 0.985 1329 V HN 0.844 nan 8.190 nan 0.000 0.454 1330 I N 5.281 125.832 120.570 -0.031 0.000 2.389 1330 I HA 0.548 4.718 4.170 0.000 0.000 0.288 1330 I C -0.351 175.745 176.117 -0.035 0.000 0.999 1330 I CA -0.407 60.861 61.300 -0.052 0.000 1.129 1330 I CB 1.498 39.476 38.000 -0.037 0.000 1.288 1330 I HN 0.394 nan 8.210 nan 0.000 0.444 1331 V N 6.574 126.456 119.914 -0.053 0.000 3.214 1331 V HA 0.891 5.011 4.120 0.000 0.000 0.306 1331 V C 0.394 176.479 176.094 -0.017 0.000 1.078 1331 V CA -0.050 62.233 62.300 -0.027 0.000 1.077 1331 V CB 1.224 33.025 31.823 -0.037 0.000 1.121 1331 V HN 0.956 nan 8.190 nan 0.000 0.468 1332 A N 0.798 123.623 122.820 0.008 0.000 2.601 1332 A HA 0.618 4.938 4.320 0.000 0.000 0.303 1332 A C -0.464 177.143 177.584 0.039 0.000 1.004 1332 A CA -0.052 52.001 52.037 0.027 0.000 0.742 1332 A CB 0.924 19.958 19.000 0.057 0.000 1.250 1332 A HN 1.153 nan 8.150 nan 0.000 0.406 1333 T N -1.208 113.360 114.554 0.023 0.000 2.938 1333 T HA 0.644 4.994 4.350 0.000 0.000 0.285 1333 T C 1.035 175.760 174.700 0.043 0.000 1.028 1333 T CA 0.065 62.174 62.100 0.015 0.000 1.005 1333 T CB 1.081 69.909 68.868 -0.066 0.000 1.157 1333 T HN 1.064 nan 8.240 nan 0.000 0.550 1334 V N 1.144 121.085 119.914 0.046 0.000 2.283 1334 V HA -0.073 4.047 4.120 0.000 0.000 0.243 1334 V C 3.041 179.151 176.094 0.027 0.000 1.039 1334 V CA 1.511 63.847 62.300 0.061 0.000 1.016 1334 V CB -0.843 31.021 31.823 0.070 0.000 0.650 1334 V HN 0.806 nan 8.190 nan 0.000 0.449 1335 R N 0.174 120.656 120.500 -0.031 0.000 2.117 1335 R HA -0.185 4.155 4.340 0.000 0.000 0.243 1335 R C 2.389 178.644 176.300 -0.075 0.000 1.143 1335 R CA 1.489 57.543 56.100 -0.077 0.000 0.968 1335 R CB -0.705 29.478 30.300 -0.196 0.000 0.863 1335 R HN 0.553 nan 8.270 nan 0.000 0.444 1336 A N 1.561 124.339 122.820 -0.069 0.000 1.842 1336 A HA -0.207 4.113 4.320 0.000 0.000 0.217 1336 A C 2.095 179.688 177.584 0.015 0.000 1.206 1336 A CA 1.495 53.500 52.037 -0.053 0.000 0.630 1336 A CB -0.743 18.253 19.000 -0.007 0.000 0.839 1336 A HN 0.124 nan 8.150 nan 0.000 0.447 1337 L N 0.059 121.365 121.223 0.138 0.000 2.081 1337 L HA -0.218 4.122 4.340 0.000 0.000 0.212 1337 L C 2.443 179.413 176.870 0.166 0.000 1.080 1337 L CA 2.090 57.078 54.840 0.246 0.000 0.754 1337 L CB -0.611 41.577 42.059 0.216 0.000 0.893 1337 L HN 0.370 nan 8.230 nan 0.000 0.433 1338 K N -0.927 119.521 120.400 0.080 0.000 2.063 1338 K HA -0.187 4.133 4.320 0.000 0.000 0.208 1338 K C 2.101 178.710 176.600 0.016 0.000 1.048 1338 K CA 1.603 57.921 56.287 0.051 0.000 0.928 1338 K CB -0.299 32.215 32.500 0.023 0.000 0.713 1338 K HN 0.338 nan 8.250 nan 0.000 0.442 1339 M N 0.103 119.667 119.600 -0.061 0.000 2.202 1339 M HA -0.164 4.316 4.480 0.000 0.000 0.262 1339 M C 1.729 177.966 176.300 -0.105 0.000 1.063 1339 M CA 1.356 56.583 55.300 -0.122 0.000 1.097 1339 M CB -0.441 32.024 32.600 -0.225 0.000 1.382 1339 M HN 0.219 nan 8.290 nan 0.000 0.413 1340 H N -0.945 118.145 119.070 0.034 0.000 2.546 1340 H HA 0.051 4.607 4.556 0.000 0.000 0.277 1340 H C 1.938 177.298 175.328 0.053 0.000 1.004 1340 H CA 1.246 57.323 56.048 0.049 0.000 1.231 1340 H CB -0.336 29.465 29.762 0.065 0.000 1.382 1340 H HN 0.422 nan 8.280 nan 0.000 0.580 1341 G N -0.881 108.002 108.800 0.139 0.000 3.189 1341 G HA2 0.271 4.231 3.960 0.000 0.000 0.225 1341 G HA3 0.271 4.231 3.960 0.000 0.000 0.225 1341 G C 1.211 176.148 174.900 0.062 0.000 1.159 1341 G CA 0.341 45.502 45.100 0.102 0.000 0.763 1341 G HN 0.526 nan 8.290 nan 0.000 0.549 1342 G N -0.841 107.986 108.800 0.045 0.000 2.175 1342 G HA2 -0.262 3.698 3.960 0.000 0.000 0.244 1342 G HA3 -0.262 3.698 3.960 0.000 0.000 0.244 1342 G C 0.343 175.246 174.900 0.005 0.000 0.982 1342 G CA 0.046 45.159 45.100 0.022 0.000 0.641 1342 G HN 0.700 nan 8.290 nan 0.000 0.527 1343 V N 2.708 122.622 119.914 0.001 0.000 2.450 1343 V HA 0.267 4.388 4.120 0.000 0.000 0.281 1343 V C -1.041 175.038 176.094 -0.025 0.000 1.019 1343 V CA -0.644 61.650 62.300 -0.008 0.000 1.062 1343 V CB 0.718 32.537 31.823 -0.006 0.000 0.979 1343 V HN 0.177 nan 8.190 nan 0.000 0.477 1344 P HA 0.028 nan 4.420 nan 0.000 0.268 1344 P C 0.826 178.105 177.300 -0.035 0.000 1.208 1344 P CA -0.106 62.978 63.100 -0.027 0.000 0.777 1344 P CB 0.657 32.346 31.700 -0.018 0.000 0.875 1345 K N 1.072 121.447 120.400 -0.042 0.000 2.057 1345 K HA -0.096 4.224 4.320 0.000 0.000 0.207 1345 K C 1.182 177.760 176.600 -0.036 0.000 1.049 1345 K CA 1.519 57.776 56.287 -0.049 0.000 0.931 1345 K CB -0.249 32.221 32.500 -0.051 0.000 0.714 1345 K HN 0.286 nan 8.250 nan 0.000 0.440 1346 S N 0.998 116.683 115.700 -0.025 0.000 2.701 1346 S HA 0.008 4.478 4.470 0.000 0.000 0.220 1346 S C -0.415 174.180 174.600 -0.008 0.000 0.954 1346 S CA 0.382 58.573 58.200 -0.014 0.000 0.936 1346 S CB 0.172 63.365 63.200 -0.012 0.000 0.777 1346 S HN 0.301 nan 8.310 nan 0.000 0.518 1347 D N 0.363 120.756 120.400 -0.011 0.000 2.620 1347 D HA 0.267 4.907 4.640 0.000 0.000 0.260 1347 D C 0.673 176.971 176.300 -0.003 0.000 1.367 1347 D CA -0.054 53.944 54.000 -0.004 0.000 0.805 1347 D CB 0.246 41.043 40.800 -0.005 0.000 1.096 1347 D HN 0.264 nan 8.370 nan 0.000 0.488 1348 L N 0.245 121.463 121.223 -0.008 0.000 2.592 1348 L HA 0.253 4.593 4.340 0.000 0.000 0.227 1348 L C 2.076 178.962 176.870 0.026 0.000 1.127 1348 L CA 0.145 54.980 54.840 -0.010 0.000 0.884 1348 L CB 0.196 42.224 42.059 -0.051 0.000 1.065 1348 L HN 0.011 nan 8.230 nan 0.000 0.457 1349 A N -0.578 122.263 122.820 0.036 0.000 1.898 1349 A HA 0.023 4.343 4.320 0.000 0.000 0.214 1349 A C 1.333 178.943 177.584 0.044 0.000 1.183 1349 A CA 0.858 52.930 52.037 0.059 0.000 0.622 1349 A CB -0.305 18.723 19.000 0.046 0.000 0.824 1349 A HN 0.266 nan 8.150 nan 0.000 0.444 1350 T N 0.640 115.210 114.554 0.027 0.000 2.868 1350 T HA 0.325 4.675 4.350 0.000 0.000 0.292 1350 T C 0.154 174.866 174.700 0.020 0.000 1.028 1350 T CA -0.375 61.736 62.100 0.020 0.000 1.059 1350 T CB 1.039 69.914 68.868 0.013 0.000 0.991 1350 T HN 0.508 nan 8.240 nan 0.000 0.531 1351 E N 1.369 121.578 120.200 0.015 0.000 2.374 1351 E HA 0.165 4.515 4.350 0.000 0.000 0.260 1351 E C -0.264 176.343 176.600 0.011 0.000 1.101 1351 E CA -0.469 55.939 56.400 0.013 0.000 0.907 1351 E CB 0.397 30.100 29.700 0.005 0.000 1.014 1351 E HN 0.579 nan 8.360 nan 0.000 0.427 1352 N N 3.803 122.510 118.700 0.012 0.000 3.570 1352 N HA -0.005 4.735 4.740 0.000 0.000 0.193 1352 N C -0.547 174.973 175.510 0.017 0.000 1.465 1352 N CA -0.041 53.017 53.050 0.013 0.000 0.791 1352 N CB 0.108 38.605 38.487 0.017 0.000 1.677 1352 N HN 0.388 nan 8.380 nan 0.000 0.678 1353 L N 1.404 122.633 121.223 0.009 0.000 2.201 1353 L HA 0.061 4.401 4.340 0.000 0.000 0.212 1353 L C 2.256 179.135 176.870 0.015 0.000 1.105 1353 L CA 1.174 56.018 54.840 0.007 0.000 0.775 1353 L CB -0.149 41.905 42.059 -0.008 0.000 0.913 1353 L HN 0.400 nan 8.230 nan 0.000 0.440 1354 E N 0.397 120.607 120.200 0.016 0.000 2.072 1354 E HA -0.145 4.205 4.350 0.000 0.000 0.191 1354 E C 2.378 179.001 176.600 0.038 0.000 0.985 1354 E CA 1.415 57.829 56.400 0.022 0.000 0.801 1354 E CB -0.351 29.360 29.700 0.018 0.000 0.750 1354 E HN 0.489 nan 8.360 nan 0.000 0.452 1355 A N 2.184 125.028 122.820 0.041 0.000 1.872 1355 A HA -0.091 4.229 4.320 0.000 0.000 0.214 1355 A C 2.194 179.826 177.584 0.081 0.000 1.187 1355 A CA 0.885 52.956 52.037 0.057 0.000 0.614 1355 A CB -0.678 18.349 19.000 0.045 0.000 0.826 1355 A HN 0.254 nan 8.150 nan 0.000 0.442 1356 L N 0.239 121.506 121.223 0.073 0.000 2.089 1356 L HA -0.232 4.108 4.340 0.000 0.000 0.213 1356 L C 2.395 179.348 176.870 0.138 0.000 1.079 1356 L CA 2.716 57.616 54.840 0.099 0.000 0.758 1356 L CB -0.901 41.198 42.059 0.066 0.000 0.891 1356 L HN 0.614 nan 8.230 nan 0.000 0.433 1357 R N -0.641 119.915 120.500 0.094 0.000 2.062 1357 R HA -0.129 4.211 4.340 0.000 0.000 0.229 1357 R C 2.085 178.485 176.300 0.167 0.000 1.128 1357 R CA 1.114 57.269 56.100 0.092 0.000 0.960 1357 R CB -0.005 30.311 30.300 0.027 0.000 0.855 1357 R HN 0.363 nan 8.270 nan 0.000 0.432 1358 E N -0.050 120.227 120.200 0.128 0.000 2.031 1358 E HA -0.124 4.226 4.350 0.000 0.000 0.193 1358 E C 1.950 178.646 176.600 0.159 0.000 0.994 1358 E CA 1.533 58.009 56.400 0.127 0.000 0.800 1358 E CB -0.589 29.166 29.700 0.092 0.000 0.752 1358 E HN 0.588 nan 8.360 nan 0.000 0.447 1359 G N 0.669 109.572 108.800 0.173 0.000 2.450 1359 G HA2 -0.282 3.678 3.960 0.000 0.000 0.220 1359 G HA3 -0.282 3.678 3.960 0.000 0.000 0.220 1359 G C 1.450 176.460 174.900 0.183 0.000 1.130 1359 G CA 0.552 45.772 45.100 0.200 0.000 0.760 1359 G HN 0.253 nan 8.290 nan 0.000 0.557 1360 F N 2.598 122.597 119.950 0.083 0.000 2.225 1360 F HA -0.157 4.370 4.527 -0.000 0.000 0.302 1360 F C 2.666 178.499 175.800 0.054 0.000 1.068 1360 F CA 1.110 59.153 58.000 0.073 0.000 1.327 1360 F CB -0.194 38.842 39.000 0.060 0.000 1.043 1360 F HN 0.241 nan 8.300 nan 0.000 0.506 1361 A N 0.082 122.919 122.820 0.029 0.000 1.958 1361 A HA -0.325 3.995 4.320 0.000 0.000 0.221 1361 A C 1.999 179.464 177.584 -0.199 0.000 1.178 1361 A CA 2.140 54.131 52.037 -0.076 0.000 0.642 1361 A CB -1.268 17.731 19.000 -0.003 0.000 0.816 1361 A HN 0.605 nan 8.150 nan 0.000 0.453 1362 N N -0.495 118.115 118.700 -0.149 0.000 2.006 1362 N HA -0.169 4.571 4.740 0.000 0.000 0.196 1362 N C 1.638 177.079 175.510 -0.116 0.000 1.057 1362 N CA 1.751 54.735 53.050 -0.111 0.000 0.853 1362 N CB -0.342 37.946 38.487 -0.332 0.000 1.051 1362 N HN 0.303 nan 8.380 nan 0.000 0.423 1363 L N 1.622 122.723 121.223 -0.204 0.000 1.978 1363 L HA -0.235 4.105 4.340 0.000 0.000 0.218 1363 L C 2.153 178.814 176.870 -0.349 0.000 1.075 1363 L CA 2.199 56.900 54.840 -0.232 0.000 0.767 1363 L CB -1.452 40.384 42.059 -0.372 0.000 0.890 1363 L HN 0.475 nan 8.230 nan 0.000 0.434 1364 E N -0.651 119.081 120.200 -0.779 0.000 2.058 1364 E HA -0.337 4.013 4.350 0.000 0.000 0.194 1364 E C 2.223 178.710 176.600 -0.188 0.000 0.997 1364 E CA 1.629 57.742 56.400 -0.478 0.000 0.801 1364 E CB -0.219 29.233 29.700 -0.413 0.000 0.746 1364 E HN 0.421 nan 8.360 nan 0.000 0.450 1365 K N 0.427 120.692 120.400 -0.225 0.000 2.044 1365 K HA -0.222 4.098 4.320 0.000 0.000 0.210 1365 K C 2.053 178.596 176.600 -0.094 0.000 1.049 1365 K CA 2.111 58.251 56.287 -0.246 0.000 0.927 1365 K CB -0.506 31.653 32.500 -0.567 0.000 0.713 1365 K HN 0.360 nan 8.250 nan 0.000 0.443 1366 H N 0.393 119.522 119.070 0.099 0.000 2.321 1366 H HA -0.088 4.468 4.556 0.000 0.000 0.300 1366 H C 2.045 177.427 175.328 0.090 0.000 1.087 1366 H CA 1.721 57.857 56.048 0.147 0.000 1.319 1366 H CB -0.241 29.590 29.762 0.114 0.000 1.379 1366 H HN 0.130 nan 8.280 nan 0.000 0.501 1367 I N 1.401 122.068 120.570 0.162 0.000 2.143 1367 I HA -0.305 3.865 4.170 0.000 0.000 0.245 1367 I C 2.167 178.351 176.117 0.111 0.000 1.068 1367 I CA 1.472 62.839 61.300 0.111 0.000 1.326 1367 I CB -1.091 36.949 38.000 0.067 0.000 1.028 1367 I HN 0.375 nan 8.210 nan 0.000 0.412 1368 E N 0.464 120.712 120.200 0.079 0.000 2.047 1368 E HA -0.177 4.174 4.350 0.000 0.000 0.191 1368 E C 1.944 178.601 176.600 0.095 0.000 0.987 1368 E CA 0.954 57.391 56.400 0.063 0.000 0.799 1368 E CB -0.210 29.498 29.700 0.014 0.000 0.752 1368 E HN 0.536 nan 8.360 nan 0.000 0.449 1369 N N 1.244 120.026 118.700 0.137 0.000 2.104 1369 N HA -0.155 4.585 4.740 0.000 0.000 0.190 1369 N C 2.022 177.729 175.510 0.327 0.000 1.024 1369 N CA 0.996 54.171 53.050 0.208 0.000 0.853 1369 N CB -0.285 38.372 38.487 0.284 0.000 1.008 1369 N HN 0.188 nan 8.380 nan 0.000 0.424 1370 I N 0.990 121.752 120.570 0.320 0.000 2.069 1370 I HA -0.229 3.941 4.170 0.000 0.000 0.237 1370 I C 2.510 178.793 176.117 0.277 0.000 1.053 1370 I CA 1.595 63.105 61.300 0.350 0.000 1.311 1370 I CB -0.952 37.187 38.000 0.231 0.000 1.030 1370 I HN 0.160 nan 8.210 nan 0.000 0.398 1371 G N 0.847 109.748 108.800 0.168 0.000 2.532 1371 G HA2 -0.262 3.698 3.960 0.000 0.000 0.222 1371 G HA3 -0.262 3.698 3.960 0.000 0.000 0.222 1371 G C 1.598 176.548 174.900 0.083 0.000 1.102 1371 G CA 0.671 45.837 45.100 0.109 0.000 0.742 1371 G HN 0.404 nan 8.290 nan 0.000 0.577 1372 K N -0.632 119.807 120.400 0.066 0.000 2.504 1372 K HA 0.074 4.394 4.320 0.000 0.000 0.195 1372 K C 0.580 177.055 176.600 -0.208 0.000 1.036 1372 K CA 0.243 56.481 56.287 -0.080 0.000 0.984 1372 K CB -0.018 32.374 32.500 -0.180 0.000 0.788 1372 K HN 0.428 nan 8.250 nan 0.000 0.488 1373 F N 0.332 120.238 119.950 -0.074 0.000 2.750 1373 F HA 0.211 4.738 4.527 0.000 0.000 0.297 1373 F C 1.232 176.691 175.800 -0.567 0.000 1.138 1373 F CA -0.338 57.448 58.000 -0.357 0.000 1.346 1373 F CB 0.620 39.284 39.000 -0.560 0.000 0.965 1373 F HN 0.072 nan 8.300 nan 0.000 0.514 1374 G N 1.339 110.033 108.800 -0.177 0.000 2.269 1374 G HA2 -0.273 3.687 3.960 0.000 0.000 0.277 1374 G HA3 -0.273 3.687 3.960 0.000 0.000 0.277 1374 G C 0.111 174.984 174.900 -0.045 0.000 1.008 1374 G CA 0.606 45.628 45.100 -0.131 0.000 0.774 1374 G HN 0.524 nan 8.290 nan 0.000 0.511 1375 V N -2.539 117.383 119.914 0.014 0.000 2.398 1375 V HA 0.803 4.923 4.120 0.000 0.000 0.286 1375 V C -1.613 174.521 176.094 0.066 0.000 1.026 1375 V CA -2.908 59.427 62.300 0.058 0.000 0.868 1375 V CB 1.869 33.722 31.823 0.051 0.000 0.982 1375 V HN 0.043 nan 8.190 nan 0.000 0.443 1376 P HA 0.414 nan 4.420 nan 0.000 0.269 1376 P C -0.337 176.999 177.300 0.061 0.000 1.217 1376 P CA 0.294 63.425 63.100 0.053 0.000 0.783 1376 P CB 0.734 32.457 31.700 0.039 0.000 0.898 1377 A N 1.116 123.971 122.820 0.058 0.000 2.469 1377 A HA 0.757 5.077 4.320 0.000 0.000 0.299 1377 A C -1.378 176.231 177.584 0.041 0.000 1.098 1377 A CA -0.628 51.445 52.037 0.060 0.000 0.737 1377 A CB 1.543 20.592 19.000 0.082 0.000 1.312 1377 A HN 0.298 nan 8.150 nan 0.000 0.414 1378 V N 1.140 121.073 119.914 0.033 0.000 2.752 1378 V HA 0.331 4.451 4.120 0.000 0.000 0.302 1378 V C -0.329 175.777 176.094 0.021 0.000 1.133 1378 V CA -0.625 61.687 62.300 0.020 0.000 0.919 1378 V CB 1.631 33.454 31.823 -0.001 0.000 1.026 1378 V HN 0.821 nan 8.190 nan 0.000 0.429 1379 V N 2.965 122.898 119.914 0.031 0.000 2.881 1379 V HA 0.793 4.913 4.120 0.000 0.000 0.303 1379 V C 0.598 176.705 176.094 0.023 0.000 1.070 1379 V CA 0.227 62.552 62.300 0.042 0.000 1.074 1379 V CB 1.565 33.437 31.823 0.081 0.000 1.012 1379 V HN 1.129 nan 8.190 nan 0.000 0.482 1380 A N 4.819 127.657 122.820 0.031 0.000 2.422 1380 A HA 0.827 5.147 4.320 0.000 0.000 0.302 1380 A C -1.217 176.398 177.584 0.051 0.000 1.041 1380 A CA -0.476 51.577 52.037 0.027 0.000 0.708 1380 A CB 1.280 20.286 19.000 0.011 0.000 1.257 1380 A HN 0.532 nan 8.150 nan 0.000 0.414 1381 I N 2.148 122.758 120.570 0.067 0.000 2.411 1381 I HA 0.250 4.420 4.170 0.000 0.000 0.284 1381 I C 0.095 176.266 176.117 0.089 0.000 1.012 1381 I CA -0.531 60.826 61.300 0.095 0.000 1.119 1381 I CB 0.987 39.079 38.000 0.152 0.000 1.261 1381 I HN 0.814 nan 8.210 nan 0.000 0.448 1382 N N 4.719 123.458 118.700 0.066 0.000 2.406 1382 N HA 0.226 4.966 4.740 0.000 0.000 0.269 1382 N C 0.374 175.939 175.510 0.092 0.000 1.210 1382 N CA -0.256 52.832 53.050 0.063 0.000 0.966 1382 N CB 0.689 39.182 38.487 0.010 0.000 1.293 1382 N HN 0.775 nan 8.380 nan 0.000 0.491 1383 A N 3.902 126.791 122.820 0.114 0.000 2.553 1383 A HA 0.004 4.324 4.320 0.000 0.000 0.258 1383 A C -0.499 177.165 177.584 0.135 0.000 1.069 1383 A CA 0.429 52.540 52.037 0.123 0.000 0.767 1383 A CB -0.308 18.761 19.000 0.115 0.000 0.997 1383 A HN 0.650 nan 8.150 nan 0.000 0.512 1384 F N 4.580 124.504 119.950 -0.043 0.000 2.495 1384 F HA 0.558 5.085 4.527 -0.000 0.000 0.327 1384 F C -1.863 173.907 175.800 -0.049 0.000 1.103 1384 F CA -2.117 55.829 58.000 -0.091 0.000 0.949 1384 F CB 1.971 40.906 39.000 -0.108 0.000 1.142 1384 F HN 0.400 nan 8.300 nan 0.000 0.457 1385 P HA -0.233 nan 4.420 nan 0.000 0.218 1385 P C 1.471 178.570 177.300 -0.336 0.000 1.152 1385 P CA 2.877 65.644 63.100 -0.554 0.000 0.857 1385 P CB -0.022 31.261 31.700 -0.695 0.000 0.787 1386 T N -5.068 109.301 114.554 -0.309 0.000 2.937 1386 T HA -0.027 4.323 4.350 0.000 0.000 0.260 1386 T C 0.602 175.333 174.700 0.051 0.000 1.051 1386 T CA 0.166 62.255 62.100 -0.018 0.000 1.141 1386 T CB -0.915 68.045 68.868 0.153 0.000 0.879 1386 T HN -0.047 nan 8.240 nan 0.000 0.459 1387 D N 3.998 124.470 120.400 0.120 0.000 2.570 1387 D HA 0.086 4.726 4.640 0.000 0.000 0.243 1387 D C 0.804 177.117 176.300 0.021 0.000 1.171 1387 D CA 0.631 54.682 54.000 0.085 0.000 0.879 1387 D CB 0.776 41.641 40.800 0.109 0.000 1.143 1387 D HN 0.648 nan 8.370 nan 0.000 0.511 1388 T N -0.272 114.285 114.554 0.004 0.000 2.874 1388 T HA 0.135 4.485 4.350 0.000 0.000 0.281 1388 T C 1.304 175.976 174.700 -0.047 0.000 0.994 1388 T CA -0.823 61.264 62.100 -0.020 0.000 1.015 1388 T CB 1.646 70.504 68.868 -0.018 0.000 1.028 1388 T HN 0.131 nan 8.240 nan 0.000 0.523 1389 E N 1.004 121.169 120.200 -0.058 0.000 2.070 1389 E HA -0.196 4.154 4.350 0.000 0.000 0.197 1389 E C 2.488 179.015 176.600 -0.122 0.000 1.004 1389 E CA 1.712 58.056 56.400 -0.093 0.000 0.805 1389 E CB -1.134 28.525 29.700 -0.070 0.000 0.744 1389 E HN 0.841 nan 8.360 nan 0.000 0.451 1390 A N 1.783 124.554 122.820 -0.082 0.000 1.869 1390 A HA -0.300 4.020 4.320 0.000 0.000 0.218 1390 A C 2.126 179.656 177.584 -0.091 0.000 1.203 1390 A CA 2.148 54.139 52.037 -0.077 0.000 0.638 1390 A CB -0.754 18.219 19.000 -0.047 0.000 0.831 1390 A HN 0.299 nan 8.150 nan 0.000 0.450 1391 E N -0.334 119.827 120.200 -0.065 0.000 2.033 1391 E HA -0.230 4.120 4.350 0.000 0.000 0.199 1391 E C 2.074 178.620 176.600 -0.090 0.000 1.011 1391 E CA 1.534 57.905 56.400 -0.049 0.000 0.815 1391 E CB -0.445 29.248 29.700 -0.011 0.000 0.755 1391 E HN 0.633 nan 8.360 nan 0.000 0.451 1392 L N 1.296 122.433 121.223 -0.143 0.000 1.990 1392 L HA -0.266 4.074 4.340 0.000 0.000 0.213 1392 L C 2.267 178.805 176.870 -0.554 0.000 1.072 1392 L CA 1.050 55.722 54.840 -0.279 0.000 0.755 1392 L CB -0.811 41.045 42.059 -0.338 0.000 0.889 1392 L HN 0.180 nan 8.230 nan 0.000 0.432 1393 N N 0.242 118.629 118.700 -0.522 0.000 2.060 1393 N HA -0.244 4.496 4.740 0.000 0.000 0.195 1393 N C 1.793 177.187 175.510 -0.193 0.000 1.028 1393 N CA 1.613 54.404 53.050 -0.430 0.000 0.861 1393 N CB -0.552 37.801 38.487 -0.224 0.000 1.029 1393 N HN 0.183 nan 8.380 nan 0.000 0.428 1394 L N 1.171 122.315 121.223 -0.131 0.000 1.955 1394 L HA -0.096 4.244 4.340 0.000 0.000 0.213 1394 L C 2.209 179.042 176.870 -0.061 0.000 1.072 1394 L CA 1.314 56.106 54.840 -0.080 0.000 0.755 1394 L CB -1.123 40.896 42.059 -0.067 0.000 0.888 1394 L HN 0.107 nan 8.230 nan 0.000 0.432 1395 L N -0.988 120.222 121.223 -0.022 0.000 2.089 1395 L HA -0.300 4.040 4.340 0.000 0.000 0.213 1395 L C 2.264 179.228 176.870 0.156 0.000 1.079 1395 L CA 1.870 56.744 54.840 0.056 0.000 0.758 1395 L CB -1.025 41.124 42.059 0.150 0.000 0.891 1395 L HN 0.443 nan 8.230 nan 0.000 0.433 1396 Y N 0.541 120.833 120.300 -0.013 0.000 1.993 1396 Y HA -0.371 4.179 4.550 0.000 0.000 0.267 1396 Y C 2.652 178.535 175.900 -0.028 0.000 1.155 1396 Y CA 1.542 59.641 58.100 -0.002 0.000 1.105 1396 Y CB -0.349 38.109 38.460 -0.002 0.000 0.960 1396 Y HN 0.432 nan 8.280 nan 0.000 0.486 1397 E N -0.121 120.159 120.200 0.133 0.000 2.204 1397 E HA -0.176 4.174 4.350 0.000 0.000 0.194 1397 E C 2.011 178.560 176.600 -0.085 0.000 0.989 1397 E CA 0.813 57.226 56.400 0.021 0.000 0.824 1397 E CB -0.352 29.352 29.700 0.007 0.000 0.756 1397 E HN 0.383 nan 8.360 nan 0.000 0.477 1398 L N 1.175 122.265 121.223 -0.222 0.000 2.079 1398 L HA -0.144 4.196 4.340 0.000 0.000 0.210 1398 L C 1.860 178.436 176.870 -0.489 0.000 1.081 1398 L CA 1.126 55.590 54.840 -0.627 0.000 0.752 1398 L CB -0.996 40.359 42.059 -1.173 0.000 0.896 1398 L HN 0.403 nan 8.230 nan 0.000 0.433 1399 C N 1.080 120.353 119.300 -0.045 0.000 2.379 1399 C HA 0.190 4.650 4.460 0.000 0.000 0.376 1399 C C 1.594 176.681 174.990 0.161 0.000 1.323 1399 C CA -0.787 58.404 59.018 0.288 0.000 1.575 1399 C CB -2.207 25.683 27.740 0.249 0.000 1.661 1399 C HN 0.390 nan 8.230 nan 0.000 0.594 1400 A N 1.522 124.392 122.820 0.083 0.000 2.898 1400 A HA 0.218 4.538 4.320 0.000 0.000 0.288 1400 A C 1.301 178.939 177.584 0.089 0.000 1.771 1400 A CA 0.846 52.919 52.037 0.060 0.000 1.383 1400 A CB -0.344 18.669 19.000 0.022 0.000 1.028 1400 A HN 0.806 nan 8.150 nan 0.000 0.595 1401 K N -0.456 119.997 120.400 0.087 0.000 1.615 1401 K HA 0.315 4.635 4.320 0.000 0.000 0.100 1401 K C -0.019 176.621 176.600 0.067 0.000 2.253 1401 K CA 0.707 57.042 56.287 0.080 0.000 1.055 1401 K CB -0.178 32.384 32.500 0.103 0.000 2.464 1401 K HN 1.089 nan 8.250 nan 0.000 0.379 1402 A N 0.287 123.149 122.820 0.070 0.000 2.581 1402 A HA 0.646 4.966 4.320 0.000 0.000 0.290 1402 A C -0.447 177.162 177.584 0.042 0.000 1.119 1402 A CA -0.291 51.778 52.037 0.054 0.000 0.670 1402 A CB 0.571 19.607 19.000 0.061 0.000 1.280 1402 A HN 0.179 nan 8.150 nan 0.000 0.425 1403 G N -0.796 108.019 108.800 0.025 0.000 2.583 1403 G HA2 0.577 4.537 3.960 0.000 0.000 0.230 1403 G HA3 0.577 4.537 3.960 0.000 0.000 0.230 1403 G C 0.178 175.079 174.900 0.003 0.000 1.249 1403 G CA 0.802 45.905 45.100 0.005 0.000 0.857 1403 G HN 2.200 nan 8.290 nan 0.000 0.569 1404 A N 1.387 124.188 122.820 -0.031 0.000 2.513 1404 A HA 0.710 5.030 4.320 0.000 0.000 0.296 1404 A C -0.754 176.756 177.584 -0.123 0.000 1.052 1404 A CA -0.672 51.334 52.037 -0.051 0.000 0.714 1404 A CB 1.744 20.719 19.000 -0.041 0.000 1.279 1404 A HN 0.575 nan 8.150 nan 0.000 0.397 1405 E N 0.749 120.884 120.200 -0.108 0.000 2.343 1405 E HA 0.398 4.748 4.350 0.000 0.000 0.278 1405 E C -1.234 175.319 176.600 -0.077 0.000 0.910 1405 E CA -0.630 55.692 56.400 -0.130 0.000 0.757 1405 E CB 2.342 31.997 29.700 -0.076 0.000 1.218 1405 E HN 0.641 nan 8.360 nan 0.000 0.435 1406 V N 0.856 120.728 119.914 -0.070 0.000 2.785 1406 V HA 0.768 4.888 4.120 0.000 0.000 0.300 1406 V C -0.766 175.356 176.094 0.047 0.000 1.062 1406 V CA -0.097 62.231 62.300 0.047 0.000 1.029 1406 V CB 1.291 33.202 31.823 0.147 0.000 1.024 1406 V HN 0.776 nan 8.190 nan 0.000 0.477 1407 A N 5.597 128.461 122.820 0.073 0.000 2.427 1407 A HA 0.730 5.050 4.320 0.000 0.000 0.298 1407 A C -0.660 176.986 177.584 0.104 0.000 1.036 1407 A CA -0.481 51.599 52.037 0.072 0.000 0.701 1407 A CB 1.545 20.581 19.000 0.059 0.000 1.250 1407 A HN 0.874 nan 8.150 nan 0.000 0.412 1408 L N 2.017 123.305 121.223 0.107 0.000 3.110 1408 L HA 0.187 4.527 4.340 0.000 0.000 0.266 1408 L C 0.776 177.746 176.870 0.166 0.000 1.257 1408 L CA 0.050 54.979 54.840 0.148 0.000 1.038 1408 L CB 0.437 42.565 42.059 0.115 0.000 1.395 1408 L HN 0.720 nan 8.230 nan 0.000 0.566 1413 A N 0.978 123.938 122.820 0.234 0.000 2.577 1413 A HA 0.480 4.800 4.320 0.000 0.000 0.280 1413 A C 0.631 178.159 177.584 -0.094 0.000 1.331 1413 A CA 0.413 52.445 52.037 -0.008 0.000 0.935 1413 A CB -0.340 18.760 19.000 0.167 0.000 1.082 1413 A HN 0.208 nan 8.150 nan 0.000 0.525 1414 K N -1.428 118.919 120.400 -0.087 0.000 2.618 1414 K HA 0.311 4.631 4.320 0.000 0.000 0.205 1414 K C 0.910 177.435 176.600 -0.125 0.000 1.445 1414 K CA 0.244 56.444 56.287 -0.145 0.000 1.034 1414 K CB 0.894 33.367 32.500 -0.045 0.000 1.209 1414 K HN 0.665 nan 8.250 nan 0.000 0.627 1415 G N 1.001 109.781 108.800 -0.034 0.000 2.601 1415 G HA2 -0.379 3.581 3.960 0.000 0.000 0.261 1415 G HA3 -0.379 3.581 3.960 0.000 0.000 0.261 1415 G C 0.870 175.786 174.900 0.026 0.000 1.289 1415 G CA -0.050 45.075 45.100 0.042 0.000 0.920 1415 G HN 0.283 nan 8.290 nan 0.000 0.571 1416 G N -0.380 108.434 108.800 0.024 0.000 2.549 1416 G HA2 -0.101 3.859 3.960 0.000 0.000 0.222 1416 G HA3 -0.101 3.859 3.960 0.000 0.000 0.222 1416 G C 1.357 176.258 174.900 0.003 0.000 1.100 1416 G CA 1.873 46.982 45.100 0.015 0.000 0.739 1416 G HN 1.019 nan 8.290 nan 0.000 0.577 1417 E N 0.177 120.370 120.200 -0.011 0.000 2.016 1417 E HA -0.011 4.339 4.350 0.000 0.000 0.190 1417 E C 2.623 179.222 176.600 -0.001 0.000 0.985 1417 E CA 0.772 57.162 56.400 -0.017 0.000 0.802 1417 E CB -0.594 29.082 29.700 -0.041 0.000 0.762 1417 E HN 0.252 nan 8.360 nan 0.000 0.448 1418 G N -0.434 108.372 108.800 0.009 0.000 2.615 1418 G HA2 -0.149 3.811 3.960 0.000 0.000 0.213 1418 G HA3 -0.149 3.811 3.960 0.000 0.000 0.213 1418 G C 1.096 176.019 174.900 0.038 0.000 1.135 1418 G CA 0.614 45.734 45.100 0.034 0.000 0.772 1418 G HN 0.399 nan 8.290 nan 0.000 0.542 1419 G N -0.255 108.560 108.800 0.025 0.000 2.939 1419 G HA2 0.148 4.108 3.960 0.000 0.000 0.216 1419 G HA3 0.148 4.108 3.960 0.000 0.000 0.216 1419 G C 1.464 176.364 174.900 0.001 0.000 1.125 1419 G CA -0.118 44.993 45.100 0.018 0.000 0.766 1419 G HN 0.208 nan 8.290 nan 0.000 0.541 1420 L N 1.221 122.442 121.223 -0.002 0.000 1.978 1420 L HA -0.152 4.188 4.340 0.000 0.000 0.218 1420 L C 2.486 179.346 176.870 -0.017 0.000 1.075 1420 L CA 2.076 56.909 54.840 -0.011 0.000 0.767 1420 L CB -1.198 40.855 42.059 -0.010 0.000 0.890 1420 L HN 0.387 nan 8.230 nan 0.000 0.434 1421 E N -0.310 119.883 120.200 -0.012 0.000 2.037 1421 E HA -0.319 4.031 4.350 0.000 0.000 0.214 1421 E C 2.166 178.748 176.600 -0.030 0.000 1.041 1421 E CA 2.083 58.472 56.400 -0.019 0.000 0.872 1421 E CB -0.292 29.400 29.700 -0.013 0.000 0.785 1421 E HN 0.242 nan 8.360 nan 0.000 0.476 1422 L N 0.798 122.005 121.223 -0.026 0.000 2.089 1422 L HA -0.221 4.119 4.340 0.000 0.000 0.213 1422 L C 2.140 178.984 176.870 -0.043 0.000 1.079 1422 L CA 2.360 57.181 54.840 -0.032 0.000 0.758 1422 L CB -0.808 41.240 42.059 -0.019 0.000 0.891 1422 L HN 0.266 nan 8.230 nan 0.000 0.433 1423 A N -0.268 122.527 122.820 -0.042 0.000 1.865 1423 A HA -0.257 4.063 4.320 0.000 0.000 0.217 1423 A C 2.410 179.948 177.584 -0.077 0.000 1.191 1423 A CA 2.059 54.060 52.037 -0.061 0.000 0.623 1423 A CB -0.583 18.387 19.000 -0.050 0.000 0.826 1423 A HN 0.547 nan 8.150 nan 0.000 0.444 1424 R N -0.889 119.576 120.500 -0.058 0.000 2.091 1424 R HA -0.154 4.186 4.340 0.000 0.000 0.238 1424 R C 2.295 178.559 176.300 -0.060 0.000 1.136 1424 R CA 1.646 57.712 56.100 -0.057 0.000 0.959 1424 R CB -0.303 29.973 30.300 -0.040 0.000 0.856 1424 R HN 0.386 nan 8.270 nan 0.000 0.437 1425 K N 0.661 121.029 120.400 -0.054 0.000 2.103 1425 K HA -0.120 4.200 4.320 0.000 0.000 0.207 1425 K C 1.889 178.457 176.600 -0.054 0.000 1.048 1425 K CA 1.225 57.482 56.287 -0.049 0.000 0.930 1425 K CB -0.233 32.239 32.500 -0.047 0.000 0.716 1425 K HN -0.013 nan 8.250 nan 0.000 0.444 1426 V N 0.594 120.466 119.914 -0.070 0.000 2.358 1426 V HA -0.222 3.898 4.120 0.000 0.000 0.246 1426 V C 2.235 178.265 176.094 -0.106 0.000 1.047 1426 V CA 1.633 63.884 62.300 -0.082 0.000 1.035 1426 V CB -0.443 31.319 31.823 -0.102 0.000 0.658 1426 V HN 0.212 nan 8.190 nan 0.000 0.452 1427 L N -0.466 120.674 121.223 -0.138 0.000 2.005 1427 L HA -0.216 4.124 4.340 0.000 0.000 0.207 1427 L C 2.723 179.549 176.870 -0.072 0.000 1.072 1427 L CA 1.952 56.702 54.840 -0.150 0.000 0.744 1427 L CB -0.641 41.320 42.059 -0.164 0.000 0.895 1427 L HN 0.341 nan 8.230 nan 0.000 0.433 1428 Q N -0.380 119.387 119.800 -0.055 0.000 2.096 1428 Q HA -0.294 4.046 4.340 0.000 0.000 0.208 1428 Q C 2.059 178.047 176.000 -0.021 0.000 0.993 1428 Q CA 2.923 58.707 55.803 -0.031 0.000 0.862 1428 Q CB -0.110 28.611 28.738 -0.029 0.000 0.915 1428 Q HN 0.657 nan 8.270 nan 0.000 0.416 1429 T N -1.480 113.059 114.554 -0.024 0.000 3.014 1429 T HA -0.064 4.286 4.350 0.000 0.000 0.263 1429 T C 1.666 176.363 174.700 -0.005 0.000 1.078 1429 T CA 0.684 62.778 62.100 -0.011 0.000 1.135 1429 T CB -0.143 68.720 68.868 -0.009 0.000 0.895 1429 T HN 0.247 nan 8.240 nan 0.000 0.480 1430 L N 1.324 122.537 121.223 -0.017 0.000 2.291 1430 L HA 0.270 4.610 4.340 0.000 0.000 0.214 1430 L C 2.292 179.173 176.870 0.018 0.000 1.120 1430 L CA 1.474 56.313 54.840 -0.002 0.000 0.799 1430 L CB -0.597 41.447 42.059 -0.025 0.000 0.925 1430 L HN 0.392 nan 8.230 nan 0.000 0.446 1431 E N -1.394 118.812 120.200 0.010 0.000 2.190 1431 E HA -0.096 4.254 4.350 0.000 0.000 0.191 1431 E C 1.860 178.472 176.600 0.019 0.000 0.978 1431 E CA 0.897 57.310 56.400 0.021 0.000 0.839 1431 E CB 0.162 29.871 29.700 0.015 0.000 0.787 1431 E HN 0.608 nan 8.360 nan 0.000 0.473 1432 S N -0.509 115.199 115.700 0.013 0.000 2.502 1432 S HA 0.144 4.614 4.470 0.000 0.000 0.215 1432 S C 1.229 175.839 174.600 0.017 0.000 1.009 1432 S CA -0.408 57.801 58.200 0.014 0.000 0.908 1432 S CB 0.197 63.403 63.200 0.009 0.000 0.801 1432 S HN -0.006 nan 8.310 nan 0.000 0.505 1433 R N 3.017 123.528 120.500 0.019 0.000 2.666 1433 R HA 0.377 4.717 4.340 0.000 0.000 0.275 1433 R C -2.938 173.380 176.300 0.030 0.000 1.266 1433 R CA -2.090 54.024 56.100 0.024 0.000 1.401 1433 R CB 0.553 30.866 30.300 0.023 0.000 1.145 1433 R HN 0.202 nan 8.270 nan 0.000 0.581 1434 P HA 0.024 nan 4.420 nan 0.000 0.273 1434 P C -0.199 177.128 177.300 0.045 0.000 1.319 1434 P CA -0.030 63.092 63.100 0.037 0.000 0.885 1434 P CB 0.943 32.664 31.700 0.035 0.000 1.015 1435 S N 2.499 118.229 115.700 0.050 0.000 2.592 1435 S HA 0.003 4.473 4.470 0.000 0.000 0.256 1435 S C 0.615 175.259 174.600 0.072 0.000 1.369 1435 S CA -0.113 58.123 58.200 0.059 0.000 0.984 1435 S CB 0.219 63.462 63.200 0.072 0.000 0.919 1435 S HN 0.438 nan 8.310 nan 0.000 0.576 1436 N N -0.909 117.831 118.700 0.068 0.000 2.547 1436 N HA 0.199 4.939 4.740 0.000 0.000 0.285 1436 N C -0.747 174.809 175.510 0.076 0.000 1.600 1436 N CA -0.690 52.423 53.050 0.105 0.000 0.872 1436 N CB -0.367 38.204 38.487 0.139 0.000 1.412 1436 N HN 0.593 nan 8.380 nan 0.000 0.489 1437 F N 3.289 123.148 119.950 -0.151 0.000 2.377 1437 F HA -0.148 4.379 4.527 0.000 0.000 0.407 1437 F C 0.291 176.015 175.800 -0.127 0.000 0.934 1437 F CA 1.107 58.949 58.000 -0.263 0.000 1.162 1437 F CB 0.305 39.234 39.000 -0.118 0.000 0.882 1437 F HN 0.367 nan 8.300 nan 0.000 0.553 1438 H N 3.947 122.515 119.070 -0.837 0.000 2.996 1438 H HA 0.539 5.095 4.556 0.000 0.000 0.368 1438 H C -1.059 173.796 175.328 -0.788 0.000 1.185 1438 H CA -1.101 54.587 56.048 -0.600 0.000 1.160 1438 H CB 0.441 30.024 29.762 -0.298 0.000 1.820 1438 H HN 0.536 nan 8.280 nan 0.000 0.547 1439 V N 1.047 120.788 119.914 -0.289 0.000 2.637 1439 V HA -0.004 4.116 4.120 0.000 0.000 0.296 1439 V C 1.402 177.427 176.094 -0.116 0.000 1.046 1439 V CA -0.659 61.534 62.300 -0.178 0.000 1.066 1439 V CB 0.877 32.584 31.823 -0.193 0.000 0.968 1439 V HN 0.728 nan 8.190 nan 0.000 0.483 1440 L N 4.485 125.692 121.223 -0.026 0.000 2.456 1440 L HA 0.209 4.549 4.340 0.000 0.000 0.224 1440 L C 0.376 177.283 176.870 0.062 0.000 1.148 1440 L CA 1.209 55.984 54.840 -0.108 0.000 0.825 1440 L CB -1.026 40.992 42.059 -0.068 0.000 0.937 1440 L HN 0.955 nan 8.230 nan 0.000 0.450 1441 Y N -3.920 116.403 120.300 0.038 0.000 2.705 1441 Y HA 0.486 5.036 4.550 0.000 0.000 0.332 1441 Y C -0.661 175.265 175.900 0.044 0.000 1.221 1441 Y CA -1.924 56.196 58.100 0.034 0.000 1.059 1441 Y CB 0.233 38.730 38.460 0.062 0.000 1.298 1441 Y HN -0.180 nan 8.280 nan 0.000 0.459 1442 N N 0.715 119.589 118.700 0.291 0.000 2.430 1442 N HA 0.217 4.957 4.740 0.000 0.000 0.298 1442 N C -0.239 175.438 175.510 0.278 0.000 1.130 1442 N CA -0.494 52.661 53.050 0.176 0.000 0.894 1442 N CB 2.066 40.616 38.487 0.105 0.000 1.209 1442 N HN 0.893 nan 8.380 nan 0.000 0.503 1443 L N 2.274 123.605 121.223 0.180 0.000 2.551 1443 L HA 0.067 4.407 4.340 0.000 0.000 0.228 1443 L C 0.647 177.602 176.870 0.141 0.000 1.153 1443 L CA 1.338 56.292 54.840 0.190 0.000 0.851 1443 L CB -0.192 41.949 42.059 0.138 0.000 0.959 1443 L HN 0.584 nan 8.230 nan 0.000 0.451 1444 D N -1.984 118.485 120.400 0.115 0.000 2.407 1444 D HA 0.152 4.792 4.640 0.000 0.000 0.208 1444 D C 0.766 177.113 176.300 0.078 0.000 1.083 1444 D CA -0.011 54.038 54.000 0.082 0.000 0.844 1444 D CB 0.366 41.201 40.800 0.058 0.000 0.967 1444 D HN 0.136 nan 8.370 nan 0.000 0.506 1445 L N 0.252 121.534 121.223 0.099 0.000 2.461 1445 L HA 0.098 4.438 4.340 0.000 0.000 0.259 1445 L C 0.967 177.874 176.870 0.061 0.000 1.248 1445 L CA -0.084 54.802 54.840 0.077 0.000 0.823 1445 L CB 0.355 42.468 42.059 0.091 0.000 1.111 1445 L HN -0.051 nan 8.230 nan 0.000 0.516 1446 S N -0.321 115.402 115.700 0.039 0.000 2.601 1446 S HA 0.239 4.709 4.470 0.000 0.000 0.271 1446 S C 1.264 175.883 174.600 0.032 0.000 1.305 1446 S CA -0.609 57.610 58.200 0.032 0.000 1.022 1446 S CB 0.535 63.739 63.200 0.008 0.000 0.940 1446 S HN 0.456 nan 8.310 nan 0.000 0.525 1447 I N 3.572 124.172 120.570 0.051 0.000 2.145 1447 I HA -0.255 3.915 4.170 0.000 0.000 0.244 1447 I C 2.459 178.621 176.117 0.076 0.000 1.075 1447 I CA 1.511 62.854 61.300 0.072 0.000 1.332 1447 I CB -0.322 37.752 38.000 0.123 0.000 1.033 1447 I HN 0.714 nan 8.210 nan 0.000 0.410 1448 K N 0.434 120.857 120.400 0.039 0.000 2.057 1448 K HA -0.177 4.143 4.320 0.000 0.000 0.207 1448 K C 1.691 178.330 176.600 0.065 0.000 1.049 1448 K CA 1.514 57.827 56.287 0.043 0.000 0.931 1448 K CB -0.250 32.119 32.500 -0.218 0.000 0.714 1448 K HN 0.393 nan 8.250 nan 0.000 0.440 1449 D N 0.891 121.302 120.400 0.019 0.000 2.219 1449 D HA -0.120 4.521 4.640 0.000 0.000 0.205 1449 D C 1.682 177.982 176.300 0.001 0.000 0.970 1449 D CA 1.128 55.140 54.000 0.020 0.000 0.851 1449 D CB 0.137 40.946 40.800 0.016 0.000 0.943 1449 D HN 0.249 nan 8.370 nan 0.000 0.488 1450 K N 0.536 120.907 120.400 -0.049 0.000 2.007 1450 K HA -0.002 4.318 4.320 0.000 0.000 0.206 1450 K C 2.382 178.883 176.600 -0.166 0.000 1.047 1450 K CA 0.516 56.663 56.287 -0.233 0.000 0.937 1450 K CB 0.030 32.311 32.500 -0.366 0.000 0.718 1450 K HN 0.088 nan 8.250 nan 0.000 0.438 1451 I N 1.509 122.068 120.570 -0.018 0.000 2.194 1451 I HA -0.338 3.832 4.170 0.000 0.000 0.246 1451 I C 2.578 178.773 176.117 0.131 0.000 1.093 1451 I CA 1.269 62.623 61.300 0.091 0.000 1.355 1451 I CB -0.553 37.567 38.000 0.201 0.000 1.046 1451 I HN 0.192 nan 8.210 nan 0.000 0.413 1452 A N 1.090 123.983 122.820 0.123 0.000 1.841 1452 A HA -0.243 4.077 4.320 0.000 0.000 0.216 1452 A C 2.335 179.979 177.584 0.099 0.000 1.199 1452 A CA 1.821 53.931 52.037 0.123 0.000 0.621 1452 A CB -0.615 18.442 19.000 0.095 0.000 0.835 1452 A HN 0.309 nan 8.150 nan 0.000 0.445 1453 K N -0.601 119.835 120.400 0.060 0.000 2.160 1453 K HA -0.132 4.188 4.320 0.000 0.000 0.206 1453 K C 1.774 178.422 176.600 0.080 0.000 1.047 1453 K CA 1.624 57.948 56.287 0.061 0.000 0.930 1453 K CB -0.413 32.129 32.500 0.070 0.000 0.720 1453 K HN 0.603 nan 8.250 nan 0.000 0.450 1454 I N 0.317 120.940 120.570 0.087 0.000 2.406 1454 I HA -0.174 3.996 4.170 0.000 0.000 0.249 1454 I C 2.454 178.642 176.117 0.117 0.000 1.122 1454 I CA 0.639 61.995 61.300 0.094 0.000 1.431 1454 I CB -0.277 37.799 38.000 0.126 0.000 1.087 1454 I HN 0.096 nan 8.210 nan 0.000 0.424 1455 A N 0.660 123.654 122.820 0.291 0.000 1.872 1455 A HA -0.129 4.191 4.320 0.000 0.000 0.214 1455 A C 2.351 180.111 177.584 0.295 0.000 1.187 1455 A CA 2.164 54.483 52.037 0.470 0.000 0.614 1455 A CB -0.886 18.311 19.000 0.330 0.000 0.826 1455 A HN 0.328 nan 8.150 nan 0.000 0.442 1456 T N -0.108 114.538 114.554 0.154 0.000 2.612 1456 T HA -0.097 4.253 4.350 0.000 0.000 0.251 1456 T C 1.775 176.498 174.700 0.038 0.000 1.090 1456 T CA 1.403 63.547 62.100 0.073 0.000 1.198 1456 T CB -0.440 68.450 68.868 0.036 0.000 0.878 1456 T HN 0.568 nan 8.240 nan 0.000 0.401 1457 E N 0.148 120.358 120.200 0.018 0.000 2.171 1457 E HA -0.134 4.216 4.350 0.000 0.000 0.197 1457 E C 1.916 178.514 176.600 -0.004 0.000 0.997 1457 E CA 0.904 57.297 56.400 -0.012 0.000 0.810 1457 E CB -0.060 29.620 29.700 -0.032 0.000 0.738 1457 E HN 0.355 nan 8.360 nan 0.000 0.467 1458 I N -1.036 119.536 120.570 0.002 0.000 3.098 1458 I HA -0.094 4.076 4.170 0.000 0.000 0.241 1458 I C 1.972 178.118 176.117 0.049 0.000 1.081 1458 I CA 0.834 62.126 61.300 -0.013 0.000 1.487 1458 I CB -1.448 36.468 38.000 -0.139 0.000 1.366 1458 I HN 0.045 nan 8.210 nan 0.000 0.463 1459 Y N 1.954 122.408 120.300 0.256 0.000 2.224 1459 Y HA 0.066 4.616 4.550 0.000 0.000 0.289 1459 Y C 1.989 178.080 175.900 0.319 0.000 1.146 1459 Y CA 1.019 59.328 58.100 0.348 0.000 1.182 1459 Y CB -0.929 37.721 38.460 0.317 0.000 0.983 1459 Y HN 0.475 nan 8.280 nan 0.000 0.524 1460 G N -0.685 108.275 108.800 0.267 0.000 2.140 1460 G HA2 -0.084 3.876 3.960 0.000 0.000 0.211 1460 G HA3 -0.084 3.876 3.960 0.000 0.000 0.211 1460 G C 0.090 174.842 174.900 -0.246 0.000 1.013 1460 G CA -0.156 44.945 45.100 0.003 0.000 0.705 1460 G HN 0.646 nan 8.290 nan 0.000 0.508 1461 A N 0.111 122.960 122.820 0.047 0.000 2.363 1461 A HA 0.597 4.917 4.320 0.000 0.000 0.270 1461 A C 1.216 178.741 177.584 -0.098 0.000 1.121 1461 A CA 0.438 52.455 52.037 -0.032 0.000 0.800 1461 A CB 0.433 19.646 19.000 0.355 0.000 1.052 1461 A HN 0.202 nan 8.150 nan 0.000 0.493 1462 D N 1.470 121.766 120.400 -0.173 0.000 2.310 1462 D HA 0.174 4.814 4.640 0.000 0.000 0.212 1462 D C 0.924 177.219 176.300 -0.009 0.000 0.965 1462 D CA 1.757 55.700 54.000 -0.096 0.000 0.879 1462 D CB 0.116 40.856 40.800 -0.100 0.000 0.921 1462 D HN 0.796 nan 8.370 nan 0.000 0.510 1463 G N -1.276 107.548 108.800 0.040 0.000 2.430 1463 G HA2 0.439 4.399 3.960 0.000 0.000 0.300 1463 G HA3 0.439 4.399 3.960 0.000 0.000 0.300 1463 G C -1.873 173.098 174.900 0.119 0.000 1.330 1463 G CA -0.611 44.536 45.100 0.079 0.000 0.813 1463 G HN -0.031 nan 8.290 nan 0.000 0.487 1464 V N 0.004 120.007 119.914 0.148 0.000 2.876 1464 V HA 0.570 4.690 4.120 0.000 0.000 0.312 1464 V C -0.405 175.813 176.094 0.206 0.000 1.085 1464 V CA -1.011 61.382 62.300 0.154 0.000 0.945 1464 V CB 2.078 34.025 31.823 0.205 0.000 1.017 1464 V HN 0.755 nan 8.190 nan 0.000 0.428 1465 N N 1.309 120.059 118.700 0.084 0.000 2.314 1465 N HA 0.684 5.424 4.740 0.000 0.000 0.304 1465 N C -2.025 173.502 175.510 0.029 0.000 1.073 1465 N CA -0.621 52.513 53.050 0.142 0.000 0.822 1465 N CB 2.061 40.585 38.487 0.062 0.000 1.280 1465 N HN 0.585 nan 8.380 nan 0.000 0.489 1466 Y N 0.515 120.827 120.300 0.020 0.000 2.326 1466 Y HA 0.229 4.779 4.550 0.000 0.000 0.329 1466 Y C 0.816 176.723 175.900 0.011 0.000 0.973 1466 Y CA -1.091 57.019 58.100 0.018 0.000 1.162 1466 Y CB 1.164 39.636 38.460 0.020 0.000 1.147 1466 Y HN 0.464 nan 8.280 nan 0.000 0.456 1467 T N -1.348 113.265 114.554 0.098 0.000 2.701 1467 T HA 0.335 4.685 4.350 0.000 0.000 0.303 1467 T C 1.503 176.244 174.700 0.068 0.000 1.030 1467 T CA 0.011 62.149 62.100 0.062 0.000 1.010 1467 T CB 0.933 69.816 68.868 0.025 0.000 1.007 1467 T HN 0.736 nan 8.240 nan 0.000 0.532 1468 A N 0.431 123.275 122.820 0.039 0.000 1.940 1468 A HA -0.098 4.222 4.320 0.000 0.000 0.219 1468 A C 2.296 179.889 177.584 0.016 0.000 1.176 1468 A CA 1.874 53.926 52.037 0.025 0.000 0.631 1468 A CB -1.036 17.971 19.000 0.011 0.000 0.814 1468 A HN 0.971 nan 8.150 nan 0.000 0.446 1469 E N -0.144 120.064 120.200 0.014 0.000 2.017 1469 E HA -0.095 4.255 4.350 0.000 0.000 0.193 1469 E C 2.428 179.035 176.600 0.012 0.000 0.997 1469 E CA 0.927 57.328 56.400 0.002 0.000 0.804 1469 E CB -0.392 29.309 29.700 0.003 0.000 0.757 1469 E HN 0.590 nan 8.360 nan 0.000 0.448 1470 A N 2.210 125.060 122.820 0.049 0.000 1.869 1470 A HA -0.303 4.017 4.320 0.000 0.000 0.218 1470 A C 1.820 179.467 177.584 0.106 0.000 1.203 1470 A CA 2.255 54.352 52.037 0.100 0.000 0.638 1470 A CB -0.806 18.285 19.000 0.152 0.000 0.831 1470 A HN 0.138 nan 8.150 nan 0.000 0.450 1471 D N -0.356 120.108 120.400 0.107 0.000 2.126 1471 D HA -0.178 4.462 4.640 0.000 0.000 0.190 1471 D C 1.920 178.214 176.300 -0.011 0.000 1.001 1471 D CA 1.740 55.769 54.000 0.049 0.000 0.841 1471 D CB -0.390 40.429 40.800 0.033 0.000 0.949 1471 D HN 0.525 nan 8.370 nan 0.000 0.446 1472 K N 0.394 120.775 120.400 -0.031 0.000 2.074 1472 K HA -0.129 4.191 4.320 0.000 0.000 0.209 1472 K C 2.119 178.630 176.600 -0.149 0.000 1.048 1472 K CA 1.248 57.489 56.287 -0.076 0.000 0.926 1472 K CB -0.137 32.318 32.500 -0.075 0.000 0.713 1472 K HN 0.073 nan 8.250 nan 0.000 0.444 1473 A N 1.697 124.413 122.820 -0.174 0.000 1.835 1473 A HA -0.172 4.148 4.320 0.000 0.000 0.215 1473 A C 2.128 179.445 177.584 -0.444 0.000 1.199 1473 A CA 1.445 53.249 52.037 -0.389 0.000 0.615 1473 A CB -0.746 18.099 19.000 -0.258 0.000 0.838 1473 A HN 0.189 nan 8.150 nan 0.000 0.444 1474 I N -0.468 120.040 120.570 -0.104 0.000 2.145 1474 I HA -0.391 3.779 4.170 0.000 0.000 0.244 1474 I C 2.873 179.006 176.117 0.027 0.000 1.075 1474 I CA 2.212 63.555 61.300 0.072 0.000 1.332 1474 I CB -0.584 37.488 38.000 0.119 0.000 1.033 1474 I HN 0.576 nan 8.210 nan 0.000 0.410 1475 Q N 1.109 120.891 119.800 -0.029 0.000 2.096 1475 Q HA -0.233 4.107 4.340 0.000 0.000 0.204 1475 Q C 2.391 178.379 176.000 -0.019 0.000 0.982 1475 Q CA 1.650 57.443 55.803 -0.017 0.000 0.850 1475 Q CB 0.026 28.744 28.738 -0.033 0.000 0.901 1475 Q HN 0.421 nan 8.270 nan 0.000 0.422 1476 R N -0.729 119.704 120.500 -0.111 0.000 2.082 1476 R HA -0.185 4.155 4.340 0.000 0.000 0.234 1476 R C 2.277 178.605 176.300 0.046 0.000 1.136 1476 R CA 1.829 57.863 56.100 -0.109 0.000 0.935 1476 R CB -0.631 29.494 30.300 -0.291 0.000 0.842 1476 R HN 0.329 nan 8.270 nan 0.000 0.430 1477 Y N 1.336 121.689 120.300 0.088 0.000 2.030 1477 Y HA -0.245 4.305 4.550 -0.000 0.000 0.274 1477 Y C 2.291 178.304 175.900 0.189 0.000 1.153 1477 Y CA 1.239 59.429 58.100 0.150 0.000 1.115 1477 Y CB -0.943 37.588 38.460 0.119 0.000 0.969 1477 Y HN 0.163 nan 8.280 nan 0.000 0.488 1478 E N -0.789 119.593 120.200 0.303 0.000 2.219 1478 E HA -0.200 4.151 4.350 0.000 0.000 0.198 1478 E C 2.266 178.953 176.600 0.146 0.000 0.998 1478 E CA 1.326 57.843 56.400 0.194 0.000 0.818 1478 E CB -0.243 29.535 29.700 0.130 0.000 0.741 1478 E HN 0.266 nan 8.360 nan 0.000 0.477 1479 S N -0.378 115.404 115.700 0.137 0.000 2.527 1479 S HA -0.012 4.459 4.470 0.000 0.000 0.222 1479 S C 1.459 176.137 174.600 0.130 0.000 0.985 1479 S CA 0.218 58.478 58.200 0.100 0.000 0.921 1479 S CB 0.199 63.438 63.200 0.065 0.000 0.772 1479 S HN 0.058 nan 8.310 nan 0.000 0.529 1480 L N 0.442 121.794 121.223 0.216 0.000 2.463 1480 L HA 0.481 4.821 4.340 0.000 0.000 0.219 1480 L C 1.959 178.946 176.870 0.194 0.000 1.088 1480 L CA 1.204 56.209 54.840 0.275 0.000 0.849 1480 L CB -0.348 41.987 42.059 0.460 0.000 1.012 1480 L HN 0.491 nan 8.230 nan 0.000 0.468 1481 G N -2.150 106.741 108.800 0.151 0.000 2.260 1481 G HA2 -0.263 3.697 3.960 0.000 0.000 0.179 1481 G HA3 -0.263 3.697 3.960 0.000 0.000 0.179 1481 G C 0.171 174.969 174.900 -0.170 0.000 1.002 1481 G CA -0.214 44.841 45.100 -0.074 0.000 0.677 1481 G HN 0.200 nan 8.290 nan 0.000 0.486 1482 Y N 1.947 122.287 120.300 0.067 0.000 2.775 1482 Y HA 0.486 5.036 4.550 0.000 0.000 0.349 1482 Y C 1.976 177.907 175.900 0.052 0.000 1.094 1482 Y CA 0.096 58.214 58.100 0.030 0.000 1.467 1482 Y CB 0.236 38.671 38.460 -0.043 0.000 1.272 1482 Y HN 0.208 nan 8.280 nan 0.000 0.515 1483 G N -0.113 108.783 108.800 0.160 0.000 2.595 1483 G HA2 -0.129 3.831 3.960 0.000 0.000 0.213 1483 G HA3 -0.129 3.831 3.960 0.000 0.000 0.213 1483 G C 1.195 176.160 174.900 0.108 0.000 1.141 1483 G CA -0.028 45.156 45.100 0.140 0.000 0.806 1483 G HN 0.263 nan 8.290 nan 0.000 0.530 1484 N N 0.890 119.641 118.700 0.084 0.000 2.362 1484 N HA 0.173 4.913 4.740 0.000 0.000 0.211 1484 N C 0.111 175.688 175.510 0.113 0.000 1.170 1484 N CA 0.128 53.229 53.050 0.085 0.000 0.828 1484 N CB 0.595 39.113 38.487 0.051 0.000 1.034 1484 N HN 0.288 nan 8.380 nan 0.000 0.475 1485 L N 0.588 121.890 121.223 0.132 0.000 2.387 1485 L HA 0.470 4.810 4.340 0.000 0.000 0.266 1485 L C -2.017 174.972 176.870 0.200 0.000 1.059 1485 L CA -1.937 53.000 54.840 0.161 0.000 0.801 1485 L CB 0.721 42.871 42.059 0.152 0.000 1.223 1485 L HN -0.230 nan 8.230 nan 0.000 0.456 1486 P HA 0.121 nan 4.420 nan 0.000 0.274 1486 P C -1.212 176.204 177.300 0.193 0.000 1.260 1486 P CA -0.243 63.035 63.100 0.298 0.000 0.793 1486 P CB 0.653 32.495 31.700 0.236 0.000 1.048 1487 V N 0.798 120.821 119.914 0.182 0.000 2.525 1487 V HA 0.243 4.363 4.120 0.000 0.000 0.299 1487 V C -0.381 175.800 176.094 0.145 0.000 1.034 1487 V CA -0.572 61.790 62.300 0.103 0.000 0.863 1487 V CB 2.117 33.937 31.823 -0.004 0.000 0.999 1487 V HN 0.145 nan 8.190 nan 0.000 0.423 1488 V N 5.693 125.689 119.914 0.137 0.000 2.293 1488 V HA 0.342 4.463 4.120 0.000 0.000 0.275 1488 V C 0.330 176.521 176.094 0.162 0.000 1.021 1488 V CA -0.528 61.867 62.300 0.157 0.000 0.815 1488 V CB 1.356 33.264 31.823 0.142 0.000 1.025 1488 V HN 0.771 nan 8.190 nan 0.000 0.448 1489 M N 4.231 123.952 119.600 0.201 0.000 2.522 1489 M HA 0.190 4.670 4.480 0.000 0.000 0.333 1489 M C 0.648 177.041 176.300 0.155 0.000 1.632 1489 M CA 0.264 55.677 55.300 0.188 0.000 1.293 1489 M CB 0.328 33.116 32.600 0.314 0.000 1.857 1489 M HN 0.677 nan 8.290 nan 0.000 0.456 1490 A N 6.750 129.636 122.820 0.111 0.000 2.666 1490 A HA 0.406 4.726 4.320 0.000 0.000 0.312 1490 A C 0.414 178.026 177.584 0.047 0.000 1.471 1490 A CA -0.376 51.729 52.037 0.113 0.000 1.134 1490 A CB -0.141 18.927 19.000 0.113 0.000 1.129 1490 A HN 0.831 nan 8.150 nan 0.000 0.539 1491 K N 0.299 120.713 120.400 0.023 0.000 2.430 1491 K HA 0.649 4.969 4.320 0.000 0.000 0.268 1491 K C -0.171 176.377 176.600 -0.086 0.000 1.043 1491 K CA -0.685 55.564 56.287 -0.063 0.000 0.899 1491 K CB 0.736 33.134 32.500 -0.170 0.000 1.472 1491 K HN 0.143 nan 8.250 nan 0.000 0.451 1492 T N 0.250 114.735 114.554 -0.116 0.000 2.903 1492 T HA -0.041 4.309 4.350 0.000 0.000 0.314 1492 T C 0.848 175.419 174.700 -0.213 0.000 1.078 1492 T CA 0.086 62.118 62.100 -0.113 0.000 1.114 1492 T CB 0.510 69.336 68.868 -0.070 0.000 0.987 1492 T HN 0.694 nan 8.240 nan 0.000 0.548 1493 Q N 2.819 122.412 119.800 -0.345 0.000 2.350 1493 Q HA 0.001 4.341 4.340 0.000 0.000 0.225 1493 Q C 0.689 176.407 176.000 -0.471 0.000 0.878 1493 Q CA 0.638 56.064 55.803 -0.629 0.000 0.935 1493 Q CB -0.092 27.739 28.738 -1.511 0.000 1.099 1493 Q HN 0.878 nan 8.270 nan 0.000 0.527 1494 Y N 1.676 121.802 120.300 -0.289 0.000 2.519 1494 Y HA 0.310 4.860 4.550 0.000 0.000 0.311 1494 Y C 0.556 176.384 175.900 -0.121 0.000 1.207 1494 Y CA 0.219 58.214 58.100 -0.174 0.000 1.289 1494 Y CB 0.334 38.707 38.460 -0.144 0.000 1.059 1494 Y HN 0.052 nan 8.280 nan 0.000 0.507 1495 S N -1.887 113.775 115.700 -0.064 0.000 2.556 1495 S HA 0.251 4.721 4.470 0.000 0.000 0.280 1495 S C 0.092 174.621 174.600 -0.118 0.000 1.141 1495 S CA -0.819 57.339 58.200 -0.072 0.000 0.883 1495 S CB -0.214 62.960 63.200 -0.043 0.000 1.103 1495 S HN 0.068 nan 8.310 nan 0.000 0.453 1496 F N 2.677 122.604 119.950 -0.039 0.000 2.236 1496 F HA -0.022 4.505 4.527 0.000 0.000 0.302 1496 F C 1.904 177.648 175.800 -0.093 0.000 1.073 1496 F CA 1.442 59.480 58.000 0.064 0.000 1.336 1496 F CB -0.161 38.909 39.000 0.116 0.000 1.040 1496 F HN 0.627 nan 8.300 nan 0.000 0.507 1497 S N -0.432 115.129 115.700 -0.232 0.000 2.738 1497 S HA 0.200 4.670 4.470 0.000 0.000 0.284 1497 S C 0.657 175.037 174.600 -0.366 0.000 1.146 1497 S CA -0.160 57.682 58.200 -0.597 0.000 0.997 1497 S CB 1.152 63.649 63.200 -1.172 0.000 1.081 1497 S HN 0.266 nan 8.310 nan 0.000 0.553 1498 D N -1.086 119.108 120.400 -0.343 0.000 2.347 1498 D HA 0.008 4.648 4.640 0.000 0.000 0.215 1498 D C -0.029 176.166 176.300 -0.176 0.000 0.976 1498 D CA 0.170 54.032 54.000 -0.230 0.000 0.884 1498 D CB -0.180 40.506 40.800 -0.190 0.000 0.915 1498 D HN 0.451 nan 8.370 nan 0.000 0.526 1499 D N 1.184 121.468 120.400 -0.193 0.000 2.380 1499 D HA 0.037 4.677 4.640 0.000 0.000 0.230 1499 D C 1.428 177.662 176.300 -0.109 0.000 1.154 1499 D CA -0.364 53.555 54.000 -0.135 0.000 0.859 1499 D CB 0.820 41.545 40.800 -0.125 0.000 1.045 1499 D HN 0.274 nan 8.370 nan 0.000 0.495 1500 M N 1.779 121.322 119.600 -0.095 0.000 2.706 1500 M HA -0.077 4.403 4.480 0.000 0.000 0.251 1500 M C 1.217 177.480 176.300 -0.063 0.000 1.070 1500 M CA 1.160 56.413 55.300 -0.078 0.000 1.073 1500 M CB -0.405 32.110 32.600 -0.142 0.000 1.449 1500 M HN 0.190 nan 8.290 nan 0.000 0.531 1501 T N -2.375 112.144 114.554 -0.058 0.000 3.037 1501 T HA 0.158 4.508 4.350 0.000 0.000 0.252 1501 T C 0.788 175.486 174.700 -0.004 0.000 1.073 1501 T CA -0.100 61.977 62.100 -0.037 0.000 1.091 1501 T CB -0.132 68.713 68.868 -0.039 0.000 0.935 1501 T HN 0.454 nan 8.240 nan 0.000 0.488 1502 K N 2.012 122.405 120.400 -0.011 0.000 2.110 1502 K HA 0.307 4.627 4.320 0.000 0.000 0.260 1502 K C -0.884 175.761 176.600 0.075 0.000 1.126 1502 K CA -0.417 55.880 56.287 0.017 0.000 1.005 1502 K CB -0.062 32.418 32.500 -0.034 0.000 1.336 1502 K HN 0.181 nan 8.250 nan 0.000 0.369 1503 L N 1.142 122.438 121.223 0.121 0.000 2.456 1503 L HA 0.350 4.690 4.340 0.000 0.000 0.257 1503 L C 1.387 178.401 176.870 0.240 0.000 1.162 1503 L CA 1.032 56.019 54.840 0.245 0.000 0.808 1503 L CB 0.718 42.930 42.059 0.255 0.000 1.136 1503 L HN 0.833 nan 8.230 nan 0.000 0.466 1504 G N 1.409 110.359 108.800 0.249 0.000 2.554 1504 G HA2 -0.282 3.678 3.960 0.000 0.000 0.253 1504 G HA3 -0.282 3.678 3.960 0.000 0.000 0.253 1504 G C 0.175 175.157 174.900 0.138 0.000 1.172 1504 G CA 0.259 45.413 45.100 0.092 0.000 0.950 1504 G HN 0.721 nan 8.290 nan 0.000 0.557 1505 R N 2.000 122.534 120.500 0.058 0.000 2.835 1505 R HA 0.404 4.744 4.340 0.000 0.000 0.290 1505 R C -2.221 174.105 176.300 0.044 0.000 1.410 1505 R CA -1.136 54.916 56.100 -0.080 0.000 1.590 1505 R CB 0.697 30.866 30.300 -0.220 0.000 1.288 1505 R HN 0.529 nan 8.270 nan 0.000 0.637 1506 P HA -0.105 nan 4.420 nan 0.000 0.264 1506 P C -0.940 176.578 177.300 0.364 0.000 1.173 1506 P CA 0.577 63.865 63.100 0.313 0.000 0.761 1506 P CB 0.713 32.594 31.700 0.303 0.000 0.794 1507 R N 1.805 122.422 120.500 0.196 0.000 2.854 1507 R HA 0.348 4.688 4.340 0.000 0.000 0.271 1507 R C 0.383 176.644 176.300 -0.064 0.000 0.994 1507 R CA -0.899 55.173 56.100 -0.047 0.000 0.945 1507 R CB 0.962 31.232 30.300 -0.050 0.000 1.194 1507 R HN 0.405 nan 8.270 nan 0.000 0.476 1508 N N 0.323 118.891 118.700 -0.220 0.000 2.741 1508 N HA -0.193 4.547 4.740 0.000 0.000 0.250 1508 N C -0.599 174.878 175.510 -0.054 0.000 1.115 1508 N CA 1.383 54.352 53.050 -0.135 0.000 0.724 1508 N CB -1.392 37.070 38.487 -0.041 0.000 1.090 1508 N HN 0.373 nan 8.380 nan 0.000 0.558 1509 F N -0.706 119.248 119.950 0.007 0.000 2.535 1509 F HA 0.874 5.402 4.527 0.000 0.000 0.367 1509 F C 0.671 176.479 175.800 0.013 0.000 1.096 1509 F CA -0.775 57.231 58.000 0.010 0.000 1.088 1509 F CB 0.485 39.493 39.000 0.014 0.000 1.387 1509 F HN -0.171 nan 8.300 nan 0.000 0.494 1510 T N 1.361 116.209 114.554 0.491 0.000 2.883 1510 T HA 0.619 4.969 4.350 0.000 0.000 0.296 1510 T C -1.214 173.639 174.700 0.255 0.000 1.117 1510 T CA -0.511 61.774 62.100 0.307 0.000 1.006 1510 T CB 1.945 70.898 68.868 0.142 0.000 1.191 1510 T HN 0.446 nan 8.240 nan 0.000 0.508 1511 I N 1.970 122.629 120.570 0.149 0.000 2.465 1511 I HA 0.440 4.610 4.170 0.000 0.000 0.291 1511 I C -0.247 175.848 176.117 -0.037 0.000 1.014 1511 I CA -0.545 60.768 61.300 0.022 0.000 1.093 1511 I CB 1.798 39.804 38.000 0.010 0.000 1.267 1511 I HN 0.613 nan 8.210 nan 0.000 0.431 1512 T N 5.028 119.529 114.554 -0.087 0.000 2.815 1512 T HA 0.275 4.625 4.350 0.000 0.000 0.289 1512 T C -0.314 174.279 174.700 -0.179 0.000 1.000 1512 T CA -0.417 61.611 62.100 -0.119 0.000 0.958 1512 T CB 1.959 70.789 68.868 -0.064 0.000 0.944 1512 T HN 0.378 nan 8.240 nan 0.000 0.442 1513 V N 5.939 125.664 119.914 -0.316 0.000 2.389 1513 V HA 0.312 4.432 4.120 0.000 0.000 0.264 1513 V C 1.022 177.010 176.094 -0.177 0.000 1.049 1513 V CA -0.043 62.081 62.300 -0.294 0.000 0.932 1513 V CB 0.262 31.789 31.823 -0.495 0.000 1.011 1513 V HN 0.824 nan 8.190 nan 0.000 0.475 1514 R N 3.597 124.041 120.500 -0.093 0.000 2.080 1514 R HA 0.207 4.547 4.340 0.000 0.000 0.222 1514 R C 0.892 177.184 176.300 -0.014 0.000 1.107 1514 R CA 0.956 57.030 56.100 -0.043 0.000 0.980 1514 R CB 0.373 30.654 30.300 -0.032 0.000 0.879 1514 R HN 0.840 nan 8.270 nan 0.000 0.439 1515 E N -0.442 119.755 120.200 -0.004 0.000 2.370 1515 E HA 0.474 4.824 4.350 0.000 0.000 0.259 1515 E C -1.546 175.090 176.600 0.060 0.000 0.947 1515 E CA -0.827 55.591 56.400 0.030 0.000 0.809 1515 E CB 2.394 32.114 29.700 0.035 0.000 1.300 1515 E HN -0.233 nan 8.360 nan 0.000 0.419 1516 V N 2.298 122.277 119.914 0.108 0.000 2.663 1516 V HA 0.316 4.436 4.120 0.000 0.000 0.286 1516 V C -0.967 175.288 176.094 0.267 0.000 1.085 1516 V CA -0.595 61.815 62.300 0.184 0.000 0.916 1516 V CB 1.595 33.563 31.823 0.241 0.000 1.039 1516 V HN 0.583 nan 8.190 nan 0.000 0.453 1517 R N 3.229 123.843 120.500 0.190 0.000 2.474 1517 R HA 0.669 5.009 4.340 0.000 0.000 0.295 1517 R C -1.015 175.297 176.300 0.020 0.000 0.980 1517 R CA -0.918 55.279 56.100 0.161 0.000 0.934 1517 R CB 2.470 32.833 30.300 0.105 0.000 1.101 1517 R HN 0.478 nan 8.270 nan 0.000 0.469 1518 L N 0.914 122.067 121.223 -0.118 0.000 2.295 1518 L HA 0.344 4.684 4.340 0.000 0.000 0.285 1518 L C -0.636 176.122 176.870 -0.186 0.000 1.035 1518 L CA 0.230 54.829 54.840 -0.401 0.000 0.806 1518 L CB 2.011 43.491 42.059 -0.965 0.000 1.214 1518 L HN 0.437 nan 8.230 nan 0.000 0.426 1519 S N 4.410 120.035 115.700 -0.125 0.000 2.406 1519 S HA 0.489 4.959 4.470 0.000 0.000 0.224 1519 S C 1.114 175.709 174.600 -0.008 0.000 1.426 1519 S CA -0.051 58.135 58.200 -0.024 0.000 1.179 1519 S CB 1.178 64.401 63.200 0.039 0.000 1.042 1519 S HN 0.930 nan 8.310 nan 0.000 0.479 1520 A N 2.511 125.311 122.820 -0.033 0.000 1.927 1520 A HA -0.051 4.269 4.320 0.000 0.000 0.220 1520 A C 1.751 179.376 177.584 0.068 0.000 1.185 1520 A CA 1.708 53.793 52.037 0.079 0.000 0.639 1520 A CB -0.848 18.201 19.000 0.082 0.000 0.820 1520 A HN 0.762 nan 8.150 nan 0.000 0.451 1521 G N -1.411 107.415 108.800 0.042 0.000 3.284 1521 G HA2 0.470 4.430 3.960 0.000 0.000 0.251 1521 G HA3 0.470 4.430 3.960 0.000 0.000 0.251 1521 G C 0.601 175.527 174.900 0.043 0.000 0.913 1521 G CA 0.639 45.758 45.100 0.032 0.000 1.947 1521 G HN 1.342 nan 8.290 nan 0.000 0.635 1522 G N 0.773 109.606 108.800 0.055 0.000 1.876 1522 G HA2 0.209 4.169 3.960 0.000 0.000 0.059 1522 G HA3 0.209 4.169 3.960 0.000 0.000 0.059 1522 G C 0.150 175.148 174.900 0.162 0.000 0.755 1522 G CA 0.186 45.359 45.100 0.121 0.000 1.092 1522 G HN 0.785 nan 8.290 nan 0.000 0.322 1523 R N -0.624 119.949 120.500 0.122 0.000 3.467 1523 R HA 0.871 5.211 4.340 0.000 0.000 0.202 1523 R C -0.841 175.492 176.300 0.054 0.000 1.167 1523 R CA -0.733 55.438 56.100 0.119 0.000 0.808 1523 R CB -0.309 30.073 30.300 0.137 0.000 1.357 1523 R HN 0.529 nan 8.270 nan 0.000 0.429 1524 L N 1.537 122.795 121.223 0.057 0.000 2.362 1524 L HA 0.578 4.918 4.340 0.000 0.000 0.275 1524 L C -0.892 176.013 176.870 0.059 0.000 0.998 1524 L CA -1.017 53.832 54.840 0.015 0.000 0.820 1524 L CB 1.929 44.006 42.059 0.029 0.000 1.270 1524 L HN 0.346 nan 8.230 nan 0.000 0.415 1525 I N 4.219 124.821 120.570 0.055 0.000 2.330 1525 I HA 0.277 4.447 4.170 0.000 0.000 0.289 1525 I C -0.053 176.122 176.117 0.096 0.000 1.001 1525 I CA -0.642 60.709 61.300 0.086 0.000 1.193 1525 I CB 1.645 39.697 38.000 0.087 0.000 1.345 1525 I HN 0.244 nan 8.210 nan 0.000 0.461 1526 V N 8.788 128.757 119.914 0.092 0.000 2.313 1526 V HA 0.633 4.753 4.120 0.000 0.000 0.278 1526 V C -2.499 173.619 176.094 0.039 0.000 1.017 1526 V CA -1.713 60.629 62.300 0.071 0.000 0.823 1526 V CB 1.747 33.608 31.823 0.063 0.000 1.010 1526 V HN 0.546 nan 8.190 nan 0.000 0.443 1527 P HA 0.419 nan 4.420 nan 0.000 0.286 1527 P C 0.023 177.305 177.300 -0.029 0.000 1.261 1527 P CA -0.444 62.666 63.100 0.017 0.000 0.821 1527 P CB 2.421 34.144 31.700 0.038 0.000 1.013 1528 I N 1.049 121.590 120.570 -0.048 0.000 5.672 1528 I HA 0.070 4.240 4.170 0.000 0.000 0.229 1528 I C 1.829 177.911 176.117 -0.058 0.000 0.911 1528 I CA 0.576 61.828 61.300 -0.081 0.000 1.682 1528 I CB -1.673 36.255 38.000 -0.121 0.000 1.427 1528 I HN 0.358 nan 8.210 nan 0.000 0.459 1529 T N -0.054 114.462 114.554 -0.062 0.000 2.895 1529 T HA 0.110 4.460 4.350 0.000 0.000 0.386 1529 T C 0.982 175.668 174.700 -0.023 0.000 1.112 1529 T CA 0.017 62.089 62.100 -0.048 0.000 1.070 1529 T CB -0.612 68.221 68.868 -0.060 0.000 1.319 1529 T HN 0.547 nan 8.240 nan 0.000 0.519 1530 G N -0.186 108.603 108.800 -0.018 0.000 3.353 1530 G HA2 0.415 4.375 3.960 0.000 0.000 0.247 1530 G HA3 0.415 4.375 3.960 0.000 0.000 0.247 1530 G C 0.824 175.736 174.900 0.019 0.000 1.025 1530 G CA -0.128 44.972 45.100 -0.000 0.000 1.863 1530 G HN 1.036 nan 8.290 nan 0.000 0.635 1531 A N 0.507 123.344 122.820 0.029 0.000 2.236 1531 A HA 0.216 4.536 4.320 0.000 0.000 0.214 1531 A C 1.519 179.167 177.584 0.106 0.000 1.287 1531 A CA -0.098 51.978 52.037 0.066 0.000 0.909 1531 A CB -0.222 18.819 19.000 0.068 0.000 0.839 1531 A HN 0.565 nan 8.150 nan 0.000 0.486 1532 I N -0.694 119.924 120.570 0.079 0.000 3.749 1532 I HA 0.127 4.298 4.170 0.000 0.000 0.314 1532 I C 1.061 177.235 176.117 0.095 0.000 1.278 1532 I CA -0.117 61.232 61.300 0.082 0.000 1.158 1532 I CB -0.131 37.898 38.000 0.048 0.000 1.018 1532 I HN 0.419 nan 8.210 nan 0.000 0.435 1533 M N 1.288 120.964 119.600 0.126 0.000 3.445 1533 M HA 0.005 4.486 4.480 0.000 0.000 0.224 1533 M C 1.071 177.507 176.300 0.227 0.000 1.551 1533 M CA 0.571 55.954 55.300 0.138 0.000 1.671 1533 M CB -0.482 32.193 32.600 0.125 0.000 1.159 1533 M HN 0.185 nan 8.290 nan 0.000 0.547 1534 T N 0.336 114.966 114.554 0.127 0.000 3.188 1534 T HA 0.263 4.614 4.350 0.000 0.000 0.250 1534 T C 0.429 175.118 174.700 -0.020 0.000 1.077 1534 T CA -0.239 61.870 62.100 0.015 0.000 0.967 1534 T CB -0.044 68.764 68.868 -0.100 0.000 1.006 1534 T HN 0.552 nan 8.240 nan 0.000 0.552 1535 M N 1.928 121.564 119.600 0.061 0.000 2.291 1535 M HA 0.421 4.901 4.480 0.000 0.000 0.202 1535 M C -3.215 173.126 176.300 0.068 0.000 0.985 1535 M CA -2.552 52.776 55.300 0.047 0.000 0.993 1535 M CB 1.769 34.382 32.600 0.022 0.000 2.723 1535 M HN -0.117 nan 8.290 nan 0.000 0.402 1536 P HA 0.471 nan 4.420 nan 0.000 0.272 1536 P C 0.060 177.389 177.300 0.048 0.000 1.240 1536 P CA -0.034 63.113 63.100 0.078 0.000 0.791 1536 P CB 0.843 32.602 31.700 0.097 0.000 0.978 1537 G N 0.371 109.193 108.800 0.036 0.000 2.481 1537 G HA2 0.574 4.534 3.960 0.000 0.000 0.315 1537 G HA3 0.574 4.534 3.960 0.000 0.000 0.315 1537 G C -0.965 173.949 174.900 0.024 0.000 1.231 1537 G CA -0.803 44.311 45.100 0.023 0.000 0.968 1537 G HN 0.370 nan 8.290 nan 0.000 0.482 1538 L N 1.368 122.604 121.223 0.020 0.000 2.461 1538 L HA 0.218 4.558 4.340 0.000 0.000 0.272 1538 L C -1.565 175.315 176.870 0.018 0.000 1.197 1538 L CA -1.121 53.734 54.840 0.026 0.000 0.836 1538 L CB 0.740 42.814 42.059 0.024 0.000 1.105 1538 L HN 0.327 nan 8.230 nan 0.000 0.477 1539 P HA 0.131 nan 4.420 nan 0.000 0.289 1539 P C -0.212 177.095 177.300 0.010 0.000 1.299 1539 P CA -0.722 62.386 63.100 0.012 0.000 0.766 1539 P CB 0.478 32.185 31.700 0.012 0.000 1.226 1540 K N -0.467 119.936 120.400 0.007 0.000 2.365 1540 K HA 0.047 4.367 4.320 0.000 0.000 0.197 1540 K C 0.899 177.504 176.600 0.008 0.000 1.042 1540 K CA 0.788 57.078 56.287 0.005 0.000 0.987 1540 K CB 0.275 32.776 32.500 0.002 0.000 0.779 1540 K HN 0.087 nan 8.250 nan 0.000 0.484 1541 R N 1.832 122.338 120.500 0.010 0.000 2.748 1541 R HA 0.301 4.641 4.340 0.000 0.000 0.283 1541 R C -2.636 173.675 176.300 0.018 0.000 1.507 1541 R CA -1.958 54.150 56.100 0.013 0.000 1.666 1541 R CB 0.755 31.060 30.300 0.009 0.000 1.237 1541 R HN 0.107 nan 8.270 nan 0.000 0.633 1542 P HA 0.095 nan 4.420 nan 0.000 0.272 1542 P C 0.131 177.457 177.300 0.045 0.000 1.223 1542 P CA 0.013 63.137 63.100 0.041 0.000 0.784 1542 P CB 1.206 32.938 31.700 0.053 0.000 0.923 1543 A N 2.254 125.102 122.820 0.047 0.000 2.066 1543 A HA 0.013 4.333 4.320 0.000 0.000 0.218 1543 A C 2.039 179.664 177.584 0.068 0.000 1.157 1543 A CA 1.515 53.569 52.037 0.029 0.000 0.670 1543 A CB -1.365 17.625 19.000 -0.016 0.000 0.804 1543 A HN 0.555 nan 8.150 nan 0.000 0.453 1544 A N -0.748 122.158 122.820 0.142 0.000 1.940 1544 A HA -0.201 4.119 4.320 0.000 0.000 0.219 1544 A C 2.132 179.791 177.584 0.125 0.000 1.176 1544 A CA 1.689 53.861 52.037 0.224 0.000 0.631 1544 A CB -1.258 17.883 19.000 0.235 0.000 0.814 1544 A HN 0.599 nan 8.150 nan 0.000 0.446 1545 C N -0.350 118.997 119.300 0.078 0.000 2.449 1545 C HA 0.009 4.469 4.460 0.000 0.000 0.283 1545 C C 2.338 177.354 174.990 0.043 0.000 1.453 1545 C CA 1.022 60.071 59.018 0.051 0.000 1.779 1545 C CB -1.384 26.377 27.740 0.035 0.000 1.779 1545 C HN 0.677 nan 8.230 nan 0.000 0.546 1546 N N -0.046 118.681 118.700 0.044 0.000 2.332 1546 N HA 0.232 4.972 4.740 0.000 0.000 0.190 1546 N C 0.296 175.824 175.510 0.030 0.000 1.117 1546 N CA -0.031 53.037 53.050 0.030 0.000 0.883 1546 N CB 0.315 38.812 38.487 0.018 0.000 1.089 1546 N HN 0.396 nan 8.380 nan 0.000 0.480 1547 I N 1.528 122.124 120.570 0.043 0.000 2.752 1547 I HA -0.041 4.129 4.170 0.000 0.000 0.287 1547 I C 0.049 176.199 176.117 0.054 0.000 1.188 1547 I CA 0.731 62.053 61.300 0.038 0.000 1.427 1547 I CB 0.454 38.483 38.000 0.047 0.000 1.365 1547 I HN 0.019 nan 8.210 nan 0.000 0.585 1548 D N 5.799 126.223 120.400 0.040 0.000 2.599 1548 D HA 0.483 5.123 4.640 0.000 0.000 0.252 1548 D C -1.404 174.920 176.300 0.040 0.000 1.232 1548 D CA -0.478 53.548 54.000 0.043 0.000 0.819 1548 D CB 2.663 43.481 40.800 0.031 0.000 1.401 1548 D HN 0.403 nan 8.370 nan 0.000 0.429 1549 I N 1.998 122.594 120.570 0.042 0.000 2.497 1549 I HA 0.200 4.370 4.170 0.000 0.000 0.284 1549 I C -0.387 175.750 176.117 0.033 0.000 1.060 1549 I CA -0.585 60.739 61.300 0.040 0.000 1.071 1549 I CB 1.210 39.242 38.000 0.053 0.000 1.216 1549 I HN 0.235 nan 8.210 nan 0.000 0.442 1550 D N 5.029 125.445 120.400 0.027 0.000 2.362 1550 D HA 0.057 4.697 4.640 0.000 0.000 0.238 1550 D C 1.093 177.407 176.300 0.023 0.000 1.212 1550 D CA 0.483 54.496 54.000 0.023 0.000 0.902 1550 D CB 1.782 42.594 40.800 0.019 0.000 1.180 1550 D HN 0.706 nan 8.370 nan 0.000 0.445 1551 A N 1.982 124.814 122.820 0.020 0.000 2.272 1551 A HA -0.143 4.177 4.320 0.000 0.000 0.213 1551 A C 0.686 178.282 177.584 0.020 0.000 1.183 1551 A CA 1.484 53.533 52.037 0.019 0.000 0.719 1551 A CB -0.104 18.905 19.000 0.016 0.000 0.771 1551 A HN 0.576 nan 8.150 nan 0.000 0.484 1552 D N -2.637 117.776 120.400 0.021 0.000 3.001 1552 D HA 0.379 5.020 4.640 0.000 0.000 0.183 1552 D C 0.943 177.258 176.300 0.026 0.000 1.502 1552 D CA 0.852 54.865 54.000 0.022 0.000 1.490 1552 D CB -0.142 40.670 40.800 0.019 0.000 1.274 1552 D HN 0.328 nan 8.370 nan 0.000 0.269 1553 G N 0.059 108.873 108.800 0.024 0.000 2.630 1553 G HA2 0.546 4.506 3.960 0.000 0.000 0.296 1553 G HA3 0.546 4.506 3.960 0.000 0.000 0.296 1553 G C -0.766 174.148 174.900 0.023 0.000 1.285 1553 G CA -0.570 44.545 45.100 0.025 0.000 0.958 1553 G HN 0.070 nan 8.290 nan 0.000 0.479 1554 V N 0.464 120.392 119.914 0.023 0.000 2.843 1554 V HA 0.347 4.467 4.120 0.000 0.000 0.305 1554 V C 0.293 176.391 176.094 0.007 0.000 1.065 1554 V CA 0.139 62.449 62.300 0.017 0.000 1.116 1554 V CB 1.243 33.073 31.823 0.012 0.000 0.968 1554 V HN 0.605 nan 8.190 nan 0.000 0.487 1555 I N 3.632 124.205 120.570 0.005 0.000 2.588 1555 I HA 0.417 4.587 4.170 0.000 0.000 0.278 1555 I C 0.152 176.266 176.117 -0.004 0.000 1.144 1555 I CA 0.419 61.719 61.300 -0.000 0.000 1.074 1555 I CB 1.102 39.106 38.000 0.006 0.000 1.235 1555 I HN 0.823 nan 8.210 nan 0.000 0.472 1556 T N 2.408 116.952 114.554 -0.016 0.000 5.270 1556 T HA -0.042 4.308 4.350 0.000 0.000 0.266 1556 T C 0.661 175.332 174.700 -0.050 0.000 2.220 1556 T CA 0.230 62.316 62.100 -0.022 0.000 3.809 1556 T CB -0.923 67.940 68.868 -0.010 0.000 0.147 1556 T HN 0.719 nan 8.240 nan 0.000 0.482 1557 G N 0.000 108.758 108.800 -0.070 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 45.023 45.100 -0.129 0.000 0.502 1557 G HN 0.000 nan 8.290 nan 0.000 0.925