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 3hwc_1_C DATA FIRST_RESID 1001 DATA SEQUENCE MRTGKQYLES LNDGRVVWVG NEKIDNVATH PLTRDYAERV AQFYDLHHRP DATA SEQUENCE DLQDVLTFVD ADGVRRSRQW QDPKDAAGLR VKRKYHETIL REIAAGSYGR DATA SEQUENCE LPDAHNYTFT TYADDPEVWE KQSIGAEGRN LTQNIHNFLK LLREKDLNCP DATA SEQUENCE LNFVDPQTDR SSDAAQARSP NLRIVEKTDD GIIVNGVKAV GTGIAFGDYM DATA SEQUENCE HIGCLYRPGI PGEQVIFAAI PTNTPGVTVF CRESTVKNDP AEHPLASQGD DATA SEQUENCE ELDSTTVFDN VFIPWEQVFH IGNPEHAKLY PQRIFDWVHY HILIRQVLRA DATA SEQUENCE ELIVGLAILI TEHIGTSKLP TVSARVAKLV AFHLAMQAHL IASEETGFHT DATA SEQUENCE KGGRYKPNPL IYDFGRAHFL QNQMSVMYEL LDLAGRSSLM IPSEGQWDDS DATA SEQUENCE QSGQWFVKLN NGPKGNPRER VQIGRVIRDL YLTDWGGRQF MFENFNGTPL DATA SEQUENCE FAVFAATMTR DDMSAAGTYG KFASQVCGIE FG 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.404 176.300 0.174 0.000 1.140 1001 M CA 0.000 55.335 55.300 0.059 0.000 0.988 1001 M CB 0.000 32.535 32.600 -0.108 0.000 1.302 1002 R N 0.731 121.286 120.500 0.090 0.000 2.784 1002 R HA 0.431 4.772 4.340 0.002 0.000 0.266 1002 R C -0.401 175.960 176.300 0.101 0.000 1.044 1002 R CA 0.587 56.670 56.100 -0.029 0.000 1.151 1002 R CB 0.998 31.082 30.300 -0.361 0.000 1.037 1002 R HN 0.638 nan 8.270 nan 0.000 0.478 1003 T N 0.698 115.265 114.554 0.021 0.000 2.925 1003 T HA 0.222 4.573 4.350 0.002 0.000 0.285 1003 T C 1.322 176.085 174.700 0.106 0.000 1.021 1003 T CA -0.148 61.992 62.100 0.067 0.000 1.042 1003 T CB 1.720 70.562 68.868 -0.043 0.000 1.037 1003 T HN 0.730 nan 8.240 nan 0.000 0.481 1004 G N 1.552 110.477 108.800 0.207 0.000 2.476 1004 G HA2 -0.226 3.735 3.960 0.002 0.000 0.218 1004 G HA3 -0.226 3.735 3.960 0.002 0.000 0.218 1004 G C 1.478 176.506 174.900 0.213 0.000 1.164 1004 G CA 1.054 46.322 45.100 0.280 0.000 0.768 1004 G HN 0.675 nan 8.290 nan 0.000 0.560 1005 K N -0.086 120.382 120.400 0.113 0.000 2.032 1005 K HA -0.162 4.159 4.320 0.002 0.000 0.209 1005 K C 2.766 179.394 176.600 0.046 0.000 1.048 1005 K CA 1.756 58.082 56.287 0.064 0.000 0.927 1005 K CB -0.183 32.333 32.500 0.026 0.000 0.712 1005 K HN 0.394 nan 8.250 nan 0.000 0.441 1006 Q N -0.975 118.846 119.800 0.035 0.000 2.096 1006 Q HA -0.237 4.104 4.340 0.002 0.000 0.204 1006 Q C 1.969 177.985 176.000 0.028 0.000 0.982 1006 Q CA 2.042 57.852 55.803 0.012 0.000 0.850 1006 Q CB -0.283 28.449 28.738 -0.011 0.000 0.901 1006 Q HN 0.438 nan 8.270 nan 0.000 0.422 1007 Y N 0.705 120.975 120.300 -0.049 0.000 2.181 1007 Y HA -0.234 4.317 4.550 0.002 0.000 0.288 1007 Y C 1.709 177.647 175.900 0.063 0.000 1.146 1007 Y CA 1.001 59.096 58.100 -0.009 0.000 1.164 1007 Y CB -0.232 38.243 38.460 0.025 0.000 0.982 1007 Y HN 0.033 nan 8.280 nan 0.000 0.515 1008 L N 1.050 122.190 121.223 -0.138 0.000 2.042 1008 L HA -0.223 4.118 4.340 0.002 0.000 0.210 1008 L C 2.293 179.053 176.870 -0.183 0.000 1.076 1008 L CA 1.953 56.674 54.840 -0.199 0.000 0.749 1008 L CB -1.201 40.857 42.059 -0.002 0.000 0.893 1008 L HN 0.364 nan 8.230 nan 0.000 0.432 1009 E N -1.212 118.925 120.200 -0.105 0.000 2.208 1009 E HA -0.142 4.209 4.350 0.002 0.000 0.193 1009 E C 2.161 178.707 176.600 -0.091 0.000 0.988 1009 E CA 1.112 57.466 56.400 -0.076 0.000 0.828 1009 E CB -0.085 29.591 29.700 -0.040 0.000 0.763 1009 E HN 0.583 nan 8.360 nan 0.000 0.478 1010 S N 0.748 116.378 115.700 -0.116 0.000 2.447 1010 S HA -0.055 4.416 4.470 0.002 0.000 0.233 1010 S C 1.981 176.514 174.600 -0.111 0.000 1.006 1010 S CA 0.442 58.593 58.200 -0.082 0.000 0.957 1010 S CB -0.272 62.911 63.200 -0.028 0.000 0.773 1010 S HN 0.179 nan 8.310 nan 0.000 0.507 1011 L N 1.203 122.305 121.223 -0.202 0.000 2.156 1011 L HA 0.065 4.406 4.340 0.002 0.000 0.208 1011 L C 1.369 178.169 176.870 -0.118 0.000 1.095 1011 L CA 0.737 55.468 54.840 -0.182 0.000 0.770 1011 L CB -0.692 41.219 42.059 -0.247 0.000 0.914 1011 L HN 0.314 nan 8.230 nan 0.000 0.439 1012 N N 1.304 119.946 118.700 -0.097 0.000 3.178 1012 N HA -0.045 4.696 4.740 0.002 0.000 0.300 1012 N C -0.160 175.316 175.510 -0.057 0.000 1.242 1012 N CA 0.107 53.115 53.050 -0.071 0.000 1.192 1012 N CB -0.124 38.329 38.487 -0.057 0.000 1.463 1012 N HN 0.291 nan 8.380 nan 0.000 0.539 1013 D N -0.249 120.116 120.400 -0.060 0.000 2.535 1013 D HA 0.187 4.828 4.640 0.002 0.000 0.229 1013 D C 0.945 177.215 176.300 -0.049 0.000 1.238 1013 D CA -0.211 53.761 54.000 -0.047 0.000 0.824 1013 D CB -0.447 40.330 40.800 -0.040 0.000 1.045 1013 D HN 0.246 nan 8.370 nan 0.000 0.500 1014 G N 2.001 110.768 108.800 -0.056 0.000 2.147 1014 G HA2 -0.346 3.615 3.960 0.002 0.000 0.244 1014 G HA3 -0.346 3.615 3.960 0.002 0.000 0.244 1014 G C 0.238 175.098 174.900 -0.066 0.000 1.005 1014 G CA 0.083 45.150 45.100 -0.056 0.000 0.713 1014 G HN 0.735 nan 8.290 nan 0.000 0.515 1015 R N -0.852 119.601 120.500 -0.079 0.000 2.537 1015 R HA 0.493 4.834 4.340 0.002 0.000 0.280 1015 R C 0.124 176.363 176.300 -0.102 0.000 1.058 1015 R CA -0.147 55.898 56.100 -0.093 0.000 1.057 1015 R CB 1.559 31.798 30.300 -0.101 0.000 0.973 1015 R HN 0.632 nan 8.270 nan 0.000 0.438 1016 V N 5.203 125.056 119.914 -0.103 0.000 2.348 1016 V HA 0.406 4.527 4.120 0.002 0.000 0.270 1016 V C -0.584 175.445 176.094 -0.109 0.000 1.037 1016 V CA -0.388 61.857 62.300 -0.092 0.000 0.872 1016 V CB 1.040 32.830 31.823 -0.055 0.000 1.002 1016 V HN 0.634 nan 8.190 nan 0.000 0.464 1017 V N 7.804 127.663 119.914 -0.093 0.000 2.760 1017 V HA 0.740 4.861 4.120 0.002 0.000 0.309 1017 V C -1.708 174.394 176.094 0.013 0.000 1.077 1017 V CA -0.573 61.679 62.300 -0.080 0.000 0.910 1017 V CB 2.107 33.840 31.823 -0.151 0.000 1.008 1017 V HN 0.910 nan 8.190 nan 0.000 0.424 1018 W N 4.097 125.220 121.300 -0.296 0.000 2.520 1018 W HA 0.722 5.383 4.660 0.002 0.000 0.323 1018 W C -0.406 176.063 176.519 -0.082 0.000 1.062 1018 W CA -0.977 56.278 57.345 -0.149 0.000 1.215 1018 W CB 1.905 31.360 29.460 -0.009 0.000 1.340 1018 W HN 0.451 nan 8.180 nan 0.000 0.516 1019 V N 4.715 124.692 119.914 0.106 0.000 2.293 1019 V HA 0.613 4.734 4.120 0.002 0.000 0.275 1019 V C 0.851 177.028 176.094 0.137 0.000 1.021 1019 V CA 0.214 62.568 62.300 0.090 0.000 0.815 1019 V CB 0.310 32.132 31.823 -0.000 0.000 1.025 1019 V HN 0.966 nan 8.190 nan 0.000 0.448 1020 G N 5.619 114.536 108.800 0.195 0.000 2.596 1020 G HA2 -0.341 3.620 3.960 0.002 0.000 0.304 1020 G HA3 -0.341 3.620 3.960 0.002 0.000 0.304 1020 G C 0.851 175.935 174.900 0.307 0.000 1.189 1020 G CA 0.717 45.934 45.100 0.196 0.000 0.986 1020 G HN 0.569 nan 8.290 nan 0.000 0.548 1021 N N 1.915 120.744 118.700 0.216 0.000 2.416 1021 N HA 0.067 4.808 4.740 0.002 0.000 0.177 1021 N C 0.703 176.250 175.510 0.061 0.000 1.036 1021 N CA 0.692 53.878 53.050 0.227 0.000 0.901 1021 N CB 0.062 38.627 38.487 0.130 0.000 0.976 1021 N HN 0.583 nan 8.380 nan 0.000 0.444 1022 E N 1.724 121.926 120.200 0.003 0.000 2.223 1022 E HA 0.102 4.453 4.350 0.002 0.000 0.282 1022 E C -0.289 176.101 176.600 -0.350 0.000 1.046 1022 E CA 0.007 56.318 56.400 -0.149 0.000 0.857 1022 E CB 0.873 30.531 29.700 -0.070 0.000 1.055 1022 E HN 0.119 nan 8.360 nan 0.000 0.409 1023 K N 3.231 123.278 120.400 -0.587 0.000 2.322 1023 K HA 0.237 4.558 4.320 0.002 0.000 0.283 1023 K C 0.055 176.415 176.600 -0.401 0.000 1.042 1023 K CA -0.418 55.449 56.287 -0.700 0.000 0.958 1023 K CB 0.836 32.871 32.500 -0.774 0.000 0.984 1023 K HN 0.296 nan 8.250 nan 0.000 0.473 1024 I N 4.410 124.765 120.570 -0.358 0.000 2.315 1024 I HA -0.012 4.159 4.170 0.002 0.000 0.291 1024 I C 0.990 177.005 176.117 -0.169 0.000 1.006 1024 I CA -0.444 60.667 61.300 -0.315 0.000 1.265 1024 I CB 0.894 38.684 38.000 -0.351 0.000 1.387 1024 I HN 0.719 nan 8.210 nan 0.000 0.475 1025 D N 4.656 125.016 120.400 -0.067 0.000 2.137 1025 D HA -0.115 4.526 4.640 0.002 0.000 0.202 1025 D C 0.545 176.818 176.300 -0.046 0.000 0.970 1025 D CA 1.019 54.990 54.000 -0.049 0.000 0.837 1025 D CB 0.089 40.881 40.800 -0.014 0.000 0.981 1025 D HN 0.432 nan 8.370 nan 0.000 0.475 1026 N N -0.566 118.126 118.700 -0.015 0.000 2.558 1026 N HA 0.123 4.864 4.740 0.002 0.000 0.285 1026 N C 0.320 175.819 175.510 -0.018 0.000 1.112 1026 N CA -0.430 52.603 53.050 -0.029 0.000 0.857 1026 N CB 1.876 40.354 38.487 -0.015 0.000 1.376 1026 N HN -0.177 nan 8.380 nan 0.000 0.526 1027 V N 2.418 122.279 119.914 -0.089 0.000 2.453 1027 V HA -0.229 3.892 4.120 0.002 0.000 0.252 1027 V C 2.139 178.231 176.094 -0.004 0.000 1.068 1027 V CA 2.482 64.709 62.300 -0.122 0.000 1.070 1027 V CB -0.769 30.873 31.823 -0.302 0.000 0.664 1027 V HN 0.781 nan 8.190 nan 0.000 0.461 1028 A N -0.063 122.749 122.820 -0.013 0.000 2.066 1028 A HA -0.120 4.201 4.320 0.002 0.000 0.218 1028 A C 2.274 179.894 177.584 0.061 0.000 1.157 1028 A CA 2.070 54.122 52.037 0.025 0.000 0.670 1028 A CB -0.386 18.592 19.000 -0.038 0.000 0.804 1028 A HN 0.650 nan 8.150 nan 0.000 0.453 1029 T N -4.939 109.650 114.554 0.058 0.000 2.954 1029 T HA 0.189 4.540 4.350 0.002 0.000 0.252 1029 T C 0.603 175.342 174.700 0.065 0.000 0.983 1029 T CA 0.150 62.281 62.100 0.050 0.000 0.941 1029 T CB -0.529 68.350 68.868 0.018 0.000 1.141 1029 T HN 0.462 nan 8.240 nan 0.000 0.500 1030 H N 3.302 122.375 119.070 0.005 0.000 2.928 1030 H HA 0.201 4.758 4.556 0.002 0.000 0.338 1030 H C -1.734 173.613 175.328 0.031 0.000 1.047 1030 H CA -1.066 54.985 56.048 0.004 0.000 1.435 1030 H CB 1.094 30.848 29.762 -0.013 0.000 1.428 1030 H HN -0.084 nan 8.280 nan 0.000 0.590 1031 P HA -0.177 nan 4.420 nan 0.000 0.218 1031 P C 1.034 178.437 177.300 0.171 0.000 1.148 1031 P CA 1.290 64.392 63.100 0.003 0.000 0.822 1031 P CB 0.206 31.838 31.700 -0.114 0.000 0.784 1032 L N -2.481 118.991 121.223 0.415 0.000 2.492 1032 L HA 0.014 4.355 4.340 0.002 0.000 0.223 1032 L C 1.483 178.498 176.870 0.242 0.000 1.132 1032 L CA 1.152 56.164 54.840 0.286 0.000 0.850 1032 L CB -0.508 41.696 42.059 0.241 0.000 0.966 1032 L HN 0.021 nan 8.230 nan 0.000 0.454 1033 T N -2.051 112.669 114.554 0.277 0.000 3.048 1033 T HA 0.027 4.378 4.350 0.002 0.000 0.254 1033 T C 1.786 176.710 174.700 0.373 0.000 0.942 1033 T CA -0.253 62.049 62.100 0.337 0.000 0.931 1033 T CB 0.338 69.324 68.868 0.196 0.000 1.220 1033 T HN 0.270 nan 8.240 nan 0.000 0.503 1034 R N 2.074 122.726 120.500 0.253 0.000 2.127 1034 R HA -0.093 4.248 4.340 0.002 0.000 0.238 1034 R C 1.173 177.586 176.300 0.188 0.000 1.134 1034 R CA 1.787 58.009 56.100 0.203 0.000 0.975 1034 R CB -0.572 29.805 30.300 0.128 0.000 0.865 1034 R HN 0.259 nan 8.270 nan 0.000 0.447 1035 D N 0.377 120.881 120.400 0.175 0.000 2.097 1035 D HA -0.184 4.457 4.640 0.002 0.000 0.197 1035 D C 1.776 178.147 176.300 0.119 0.000 0.984 1035 D CA 1.322 55.401 54.000 0.131 0.000 0.826 1035 D CB -0.355 40.511 40.800 0.110 0.000 0.973 1035 D HN 0.311 nan 8.370 nan 0.000 0.460 1036 Y N 1.792 122.094 120.300 0.003 0.000 2.200 1036 Y HA -0.158 4.393 4.550 0.002 0.000 0.290 1036 Y C 2.381 178.197 175.900 -0.140 0.000 1.137 1036 Y CA 1.667 59.630 58.100 -0.228 0.000 1.163 1036 Y CB -0.075 38.084 38.460 -0.501 0.000 0.988 1036 Y HN -0.075 nan 8.280 nan 0.000 0.518 1037 A N 0.324 123.226 122.820 0.136 0.000 1.978 1037 A HA -0.236 4.085 4.320 0.002 0.000 0.220 1037 A C 1.964 179.663 177.584 0.191 0.000 1.170 1037 A CA 2.053 54.275 52.037 0.308 0.000 0.636 1037 A CB -0.647 18.630 19.000 0.462 0.000 0.810 1037 A HN 0.671 nan 8.150 nan 0.000 0.448 1038 E N -0.989 119.274 120.200 0.105 0.000 2.358 1038 E HA -0.072 4.279 4.350 0.002 0.000 0.195 1038 E C 2.061 178.678 176.600 0.029 0.000 1.010 1038 E CA 0.106 56.566 56.400 0.100 0.000 0.856 1038 E CB 0.018 29.773 29.700 0.090 0.000 0.795 1038 E HN 0.377 nan 8.360 nan 0.000 0.504 1039 R N 0.257 120.686 120.500 -0.118 0.000 2.093 1039 R HA -0.032 4.309 4.340 0.002 0.000 0.224 1039 R C 2.294 178.464 176.300 -0.217 0.000 1.101 1039 R CA 0.695 56.690 56.100 -0.175 0.000 0.979 1039 R CB -0.589 29.497 30.300 -0.357 0.000 0.877 1039 R HN 0.109 nan 8.270 nan 0.000 0.441 1040 V N 1.371 121.063 119.914 -0.371 0.000 2.427 1040 V HA -0.147 3.974 4.120 0.002 0.000 0.248 1040 V C 2.554 178.624 176.094 -0.039 0.000 1.051 1040 V CA 1.673 63.766 62.300 -0.345 0.000 1.048 1040 V CB -0.856 30.667 31.823 -0.500 0.000 0.666 1040 V HN 0.257 nan 8.190 nan 0.000 0.456 1041 A N -0.462 122.461 122.820 0.171 0.000 1.902 1041 A HA -0.304 4.017 4.320 0.002 0.000 0.217 1041 A C 2.282 180.016 177.584 0.249 0.000 1.181 1041 A CA 2.070 54.312 52.037 0.342 0.000 0.623 1041 A CB -0.551 18.646 19.000 0.329 0.000 0.818 1041 A HN 0.581 nan 8.150 nan 0.000 0.443 1042 Q N -1.468 118.423 119.800 0.151 0.000 2.124 1042 Q HA -0.215 4.126 4.340 0.002 0.000 0.202 1042 Q C 1.860 177.934 176.000 0.124 0.000 0.977 1042 Q CA 1.909 57.785 55.803 0.122 0.000 0.850 1042 Q CB -0.303 28.487 28.738 0.086 0.000 0.901 1042 Q HN 0.704 nan 8.270 nan 0.000 0.429 1043 F N 0.087 120.005 119.950 -0.053 0.000 2.126 1043 F HA -0.271 4.257 4.527 0.002 0.000 0.299 1043 F C 1.390 177.210 175.800 0.033 0.000 1.096 1043 F CA 1.687 59.623 58.000 -0.107 0.000 1.255 1043 F CB -0.460 38.358 39.000 -0.303 0.000 0.997 1043 F HN 0.118 nan 8.300 nan 0.000 0.479 1044 Y N 0.537 120.856 120.300 0.031 0.000 2.220 1044 Y HA -0.185 4.366 4.550 0.002 0.000 0.291 1044 Y C 2.388 178.376 175.900 0.145 0.000 1.129 1044 Y CA 1.174 59.267 58.100 -0.012 0.000 1.161 1044 Y CB -0.539 37.990 38.460 0.116 0.000 0.997 1044 Y HN 0.024 nan 8.280 nan 0.000 0.522 1045 D N 0.175 120.759 120.400 0.308 0.000 2.178 1045 D HA -0.158 4.483 4.640 0.002 0.000 0.201 1045 D C 2.146 178.551 176.300 0.175 0.000 0.980 1045 D CA 0.952 55.113 54.000 0.269 0.000 0.842 1045 D CB -0.401 40.502 40.800 0.171 0.000 0.948 1045 D HN 0.316 nan 8.370 nan 0.000 0.472 1046 L N 0.093 121.348 121.223 0.053 0.000 2.129 1046 L HA -0.226 4.115 4.340 0.002 0.000 0.212 1046 L C 1.985 178.767 176.870 -0.148 0.000 1.087 1046 L CA 1.285 56.073 54.840 -0.086 0.000 0.757 1046 L CB -0.435 41.490 42.059 -0.223 0.000 0.896 1046 L HN 0.164 nan 8.230 nan 0.000 0.434 1047 H N -2.285 116.700 119.070 -0.141 0.000 2.524 1047 H HA -0.050 4.507 4.556 0.002 0.000 0.282 1047 H C 1.756 176.947 175.328 -0.229 0.000 1.016 1047 H CA 0.842 56.772 56.048 -0.198 0.000 1.270 1047 H CB 0.061 29.654 29.762 -0.281 0.000 1.394 1047 H HN 0.330 nan 8.280 nan 0.000 0.568 1048 H N -0.229 118.896 119.070 0.093 0.000 2.575 1048 H HA 0.187 4.744 4.556 0.002 0.000 0.267 1048 H C 0.506 175.853 175.328 0.031 0.000 0.966 1048 H CA -0.049 56.037 56.048 0.063 0.000 1.165 1048 H CB 0.492 30.291 29.762 0.062 0.000 1.433 1048 H HN 0.168 nan 8.280 nan 0.000 0.544 1049 R N 2.092 122.649 120.500 0.096 0.000 2.421 1049 R HA 0.001 4.342 4.340 0.002 0.000 0.305 1049 R C -1.571 174.748 176.300 0.031 0.000 1.039 1049 R CA -1.316 54.814 56.100 0.049 0.000 1.003 1049 R CB 0.630 30.938 30.300 0.013 0.000 0.959 1049 R HN 0.111 nan 8.270 nan 0.000 0.427 1050 P HA -0.188 nan 4.420 nan 0.000 0.218 1050 P C 0.396 177.704 177.300 0.013 0.000 1.148 1050 P CA 1.178 64.293 63.100 0.026 0.000 0.822 1050 P CB 0.144 31.860 31.700 0.025 0.000 0.784 1051 D N -0.680 119.725 120.400 0.007 0.000 2.371 1051 D HA -0.078 4.563 4.640 0.002 0.000 0.221 1051 D C 1.265 177.560 176.300 -0.008 0.000 0.986 1051 D CA 0.768 54.768 54.000 0.000 0.000 0.899 1051 D CB -0.449 40.350 40.800 -0.002 0.000 0.902 1051 D HN 0.268 nan 8.370 nan 0.000 0.530 1052 L N -0.216 120.999 121.223 -0.013 0.000 2.906 1052 L HA 0.177 4.518 4.340 0.002 0.000 0.255 1052 L C 2.340 179.201 176.870 -0.016 0.000 1.166 1052 L CA -0.234 54.589 54.840 -0.028 0.000 0.977 1052 L CB 0.175 42.196 42.059 -0.064 0.000 1.313 1052 L HN -0.094 nan 8.230 nan 0.000 0.549 1053 Q N 1.031 120.831 119.800 0.000 0.000 2.112 1053 Q HA -0.254 4.087 4.340 0.002 0.000 0.206 1053 Q C 1.253 177.269 176.000 0.027 0.000 0.987 1053 Q CA 2.254 58.065 55.803 0.014 0.000 0.858 1053 Q CB 0.243 28.991 28.738 0.017 0.000 0.905 1053 Q HN 0.441 nan 8.270 nan 0.000 0.420 1054 D N -0.361 120.052 120.400 0.021 0.000 2.092 1054 D HA -0.162 4.479 4.640 0.002 0.000 0.193 1054 D C 1.767 178.087 176.300 0.034 0.000 0.994 1054 D CA 1.409 55.425 54.000 0.028 0.000 0.828 1054 D CB -0.353 40.458 40.800 0.017 0.000 0.963 1054 D HN 0.210 nan 8.370 nan 0.000 0.450 1055 V N 0.075 120.003 119.914 0.024 0.000 2.719 1055 V HA -0.020 4.101 4.120 0.002 0.000 0.252 1055 V C 1.773 177.919 176.094 0.087 0.000 1.065 1055 V CA 0.939 63.259 62.300 0.033 0.000 1.086 1055 V CB -0.025 31.802 31.823 0.006 0.000 0.700 1055 V HN 0.154 nan 8.190 nan 0.000 0.467 1056 L N 0.207 121.478 121.223 0.080 0.000 2.556 1056 L HA 0.244 4.585 4.340 0.002 0.000 0.226 1056 L C 1.024 178.000 176.870 0.177 0.000 1.089 1056 L CA 0.851 55.791 54.840 0.166 0.000 0.864 1056 L CB 0.206 42.227 42.059 -0.063 0.000 1.067 1056 L HN 0.526 nan 8.230 nan 0.000 0.477 1057 T N -1.769 112.866 114.554 0.135 0.000 2.916 1057 T HA 0.614 4.965 4.350 0.002 0.000 0.292 1057 T C -0.719 174.131 174.700 0.250 0.000 1.055 1057 T CA -0.608 61.599 62.100 0.177 0.000 1.009 1057 T CB 2.494 71.414 68.868 0.087 0.000 1.118 1057 T HN 0.082 nan 8.240 nan 0.000 0.497 1058 F N -0.709 119.230 119.950 -0.019 0.000 2.662 1058 F HA 0.775 5.303 4.527 0.001 0.000 0.312 1058 F C -1.705 174.091 175.800 -0.006 0.000 1.113 1058 F CA -1.661 56.329 58.000 -0.017 0.000 0.951 1058 F CB 1.132 40.114 39.000 -0.029 0.000 1.344 1058 F HN 0.447 nan 8.300 nan 0.000 0.462 1059 V N 2.607 122.420 119.914 -0.169 0.000 2.408 1059 V HA 0.172 4.293 4.120 0.002 0.000 0.267 1059 V C -0.071 175.808 176.094 -0.359 0.000 1.047 1059 V CA -0.165 61.964 62.300 -0.284 0.000 0.937 1059 V CB 0.579 32.345 31.823 -0.095 0.000 0.999 1059 V HN 0.763 nan 8.190 nan 0.000 0.472 1060 D N 3.918 123.977 120.400 -0.568 0.000 2.414 1060 D HA 0.338 4.979 4.640 0.002 0.000 0.259 1060 D C 1.233 177.488 176.300 -0.075 0.000 1.269 1060 D CA 0.316 54.118 54.000 -0.330 0.000 1.028 1060 D CB 1.563 42.148 40.800 -0.358 0.000 1.093 1060 D HN 0.476 nan 8.370 nan 0.000 0.545 1061 A N 0.199 123.023 122.820 0.007 0.000 2.015 1061 A HA -0.138 4.183 4.320 0.002 0.000 0.219 1061 A C 1.262 178.833 177.584 -0.023 0.000 1.163 1061 A CA 1.695 53.741 52.037 0.014 0.000 0.646 1061 A CB -0.371 18.651 19.000 0.037 0.000 0.806 1061 A HN 0.616 nan 8.150 nan 0.000 0.448 1062 D N -2.294 118.073 120.400 -0.054 0.000 2.340 1062 D HA 0.267 4.908 4.640 0.002 0.000 0.220 1062 D C 1.167 177.425 176.300 -0.070 0.000 1.039 1062 D CA 0.895 54.858 54.000 -0.061 0.000 0.866 1062 D CB -0.441 40.313 40.800 -0.076 0.000 0.913 1062 D HN 0.709 nan 8.370 nan 0.000 0.523 1063 G N -0.506 108.246 108.800 -0.079 0.000 2.195 1063 G HA2 -0.245 3.716 3.960 0.002 0.000 0.246 1063 G HA3 -0.245 3.716 3.960 0.002 0.000 0.246 1063 G C 0.083 174.919 174.900 -0.107 0.000 0.984 1063 G CA 0.130 45.184 45.100 -0.078 0.000 0.633 1063 G HN 0.364 nan 8.290 nan 0.000 0.525 1064 V N 1.793 121.621 119.914 -0.143 0.000 2.432 1064 V HA 0.470 4.591 4.120 0.002 0.000 0.275 1064 V C 1.127 177.078 176.094 -0.238 0.000 1.043 1064 V CA -0.540 61.664 62.300 -0.160 0.000 0.925 1064 V CB 1.425 33.156 31.823 -0.153 0.000 0.985 1064 V HN 0.510 nan 8.190 nan 0.000 0.466 1065 R N 5.580 125.965 120.500 -0.191 0.000 2.449 1065 R HA 0.319 4.660 4.340 0.002 0.000 0.296 1065 R C -0.131 176.036 176.300 -0.221 0.000 1.047 1065 R CA 0.196 56.164 56.100 -0.221 0.000 1.018 1065 R CB 0.326 30.557 30.300 -0.116 0.000 0.962 1065 R HN 0.733 nan 8.270 nan 0.000 0.428 1066 R N 2.000 122.311 120.500 -0.315 0.000 2.855 1066 R HA 0.213 4.554 4.340 0.002 0.000 0.266 1066 R C -0.861 175.502 176.300 0.105 0.000 1.034 1066 R CA -0.972 55.068 56.100 -0.101 0.000 0.944 1066 R CB 1.809 32.061 30.300 -0.080 0.000 1.219 1066 R HN 0.653 nan 8.270 nan 0.000 0.474 1067 S N 0.222 116.068 115.700 0.243 0.000 2.560 1067 S HA 0.025 4.496 4.470 0.002 0.000 0.284 1067 S C 0.933 175.629 174.600 0.159 0.000 1.327 1067 S CA -0.102 58.197 58.200 0.164 0.000 1.055 1067 S CB 0.562 63.670 63.200 -0.152 0.000 0.868 1067 S HN 0.494 nan 8.310 nan 0.000 0.506 1068 R N 1.974 122.357 120.500 -0.195 0.000 2.357 1068 R HA -0.087 4.254 4.340 0.002 0.000 0.202 1068 R C 2.161 177.883 176.300 -0.963 0.000 1.047 1068 R CA 1.107 56.854 56.100 -0.588 0.000 1.034 1068 R CB -0.204 29.681 30.300 -0.692 0.000 0.875 1068 R HN 0.851 nan 8.270 nan 0.000 0.473 1069 Q N -0.947 118.280 119.800 -0.954 0.000 2.297 1069 Q HA -0.141 4.200 4.340 0.002 0.000 0.204 1069 Q C 0.798 176.504 176.000 -0.489 0.000 0.962 1069 Q CA 1.046 56.414 55.803 -0.725 0.000 0.879 1069 Q CB -0.090 28.317 28.738 -0.551 0.000 0.947 1069 Q HN 0.447 nan 8.270 nan 0.000 0.462 1070 W N 1.177 122.477 121.300 0.001 0.000 3.278 1070 W HA 0.254 4.915 4.660 0.002 0.000 0.308 1070 W C 0.707 177.275 176.519 0.082 0.000 1.253 1070 W CA -0.819 56.603 57.345 0.128 0.000 1.759 1070 W CB 0.576 30.144 29.460 0.180 0.000 1.093 1070 W HN 0.139 nan 8.180 nan 0.000 0.648 1071 Q N 1.459 121.184 119.800 -0.125 0.000 2.259 1071 Q HA 0.089 4.430 4.340 0.002 0.000 0.249 1071 Q C -0.706 175.178 176.000 -0.195 0.000 0.914 1071 Q CA -0.107 55.404 55.803 -0.486 0.000 0.904 1071 Q CB 0.875 28.864 28.738 -1.249 0.000 1.213 1071 Q HN -0.143 nan 8.270 nan 0.000 0.428 1072 D N 5.092 125.438 120.400 -0.090 0.000 2.233 1072 D HA 0.338 4.979 4.640 0.002 0.000 0.240 1072 D C -2.388 173.899 176.300 -0.023 0.000 1.074 1072 D CA -1.488 52.529 54.000 0.028 0.000 0.838 1072 D CB 1.494 42.357 40.800 0.106 0.000 1.124 1072 D HN 0.352 nan 8.370 nan 0.000 0.475 1073 P HA 0.236 nan 4.420 nan 0.000 0.281 1073 P C 0.361 177.758 177.300 0.161 0.000 1.252 1073 P CA -0.451 62.681 63.100 0.053 0.000 0.778 1073 P CB 1.180 32.941 31.700 0.103 0.000 0.895 1074 K N 1.398 121.875 120.400 0.127 0.000 2.373 1074 K HA 0.158 4.479 4.320 0.002 0.000 0.200 1074 K C 0.098 176.836 176.600 0.230 0.000 1.054 1074 K CA 0.371 56.786 56.287 0.213 0.000 1.065 1074 K CB 0.449 33.026 32.500 0.128 0.000 0.886 1074 K HN 0.619 nan 8.250 nan 0.000 0.546 1075 D N -2.005 118.378 120.400 -0.028 0.000 2.838 1075 D HA 0.241 4.882 4.640 0.002 0.000 0.334 1075 D C 0.536 176.420 176.300 -0.695 0.000 1.315 1075 D CA -0.370 53.376 54.000 -0.422 0.000 0.917 1075 D CB 0.143 40.822 40.800 -0.203 0.000 1.435 1075 D HN -0.191 nan 8.370 nan 0.000 0.517 1076 A N -0.061 122.254 122.820 -0.842 0.000 1.930 1076 A HA 0.228 4.549 4.320 0.002 0.000 0.217 1076 A C 2.123 179.596 177.584 -0.185 0.000 1.175 1076 A CA 2.676 54.405 52.037 -0.513 0.000 0.627 1076 A CB -1.302 17.502 19.000 -0.327 0.000 0.815 1076 A HN 0.772 nan 8.150 nan 0.000 0.443 1077 A N -0.417 122.310 122.820 -0.154 0.000 1.902 1077 A HA 0.135 4.456 4.320 0.002 0.000 0.217 1077 A C 2.389 179.940 177.584 -0.056 0.000 1.181 1077 A CA 1.856 53.848 52.037 -0.075 0.000 0.623 1077 A CB -1.329 17.633 19.000 -0.062 0.000 0.818 1077 A HN 0.704 nan 8.150 nan 0.000 0.443 1078 G N -0.302 108.454 108.800 -0.073 0.000 2.422 1078 G HA2 -0.139 3.822 3.960 0.002 0.000 0.218 1078 G HA3 -0.139 3.822 3.960 0.002 0.000 0.218 1078 G C 1.456 176.343 174.900 -0.021 0.000 1.146 1078 G CA 1.165 46.235 45.100 -0.050 0.000 0.769 1078 G HN 0.454 nan 8.290 nan 0.000 0.547 1079 L N 0.548 121.783 121.223 0.021 0.000 2.083 1079 L HA 0.086 4.427 4.340 0.002 0.000 0.209 1079 L C 2.818 179.759 176.870 0.117 0.000 1.083 1079 L CA 1.475 56.383 54.840 0.113 0.000 0.752 1079 L CB -0.409 41.775 42.059 0.207 0.000 0.899 1079 L HN 0.123 nan 8.230 nan 0.000 0.433 1080 R N -1.564 118.978 120.500 0.070 0.000 2.115 1080 R HA -0.082 4.259 4.340 0.002 0.000 0.230 1080 R C 2.145 178.468 176.300 0.039 0.000 1.111 1080 R CA 1.286 57.426 56.100 0.068 0.000 0.976 1080 R CB -0.419 29.903 30.300 0.038 0.000 0.870 1080 R HN 0.282 nan 8.270 nan 0.000 0.445 1081 V N 1.572 121.488 119.914 0.003 0.000 2.343 1081 V HA -0.272 3.849 4.120 0.002 0.000 0.247 1081 V C 2.433 178.504 176.094 -0.039 0.000 1.051 1081 V CA 1.766 64.051 62.300 -0.025 0.000 1.036 1081 V CB -0.413 31.375 31.823 -0.059 0.000 0.654 1081 V HN 0.323 nan 8.190 nan 0.000 0.451 1082 K N 0.205 120.571 120.400 -0.055 0.000 2.057 1082 K HA -0.227 4.094 4.320 0.002 0.000 0.207 1082 K C 2.380 178.979 176.600 -0.003 0.000 1.049 1082 K CA 1.697 57.920 56.287 -0.107 0.000 0.931 1082 K CB -0.199 32.233 32.500 -0.115 0.000 0.714 1082 K HN 0.287 nan 8.250 nan 0.000 0.440 1083 R N 0.992 121.570 120.500 0.131 0.000 2.081 1083 R HA -0.153 4.188 4.340 0.002 0.000 0.235 1083 R C 2.293 178.625 176.300 0.055 0.000 1.131 1083 R CA 1.881 58.071 56.100 0.150 0.000 0.960 1083 R CB -0.093 30.299 30.300 0.154 0.000 0.856 1083 R HN 0.122 nan 8.270 nan 0.000 0.436 1084 K N -0.586 119.832 120.400 0.031 0.000 2.147 1084 K HA -0.221 4.100 4.320 0.002 0.000 0.205 1084 K C 1.961 178.551 176.600 -0.016 0.000 1.049 1084 K CA 1.455 57.744 56.287 0.004 0.000 0.936 1084 K CB -0.258 32.246 32.500 0.007 0.000 0.722 1084 K HN 0.213 nan 8.250 nan 0.000 0.446 1085 Y N 1.070 121.278 120.300 -0.152 0.000 2.089 1085 Y HA -0.293 4.258 4.550 0.001 0.000 0.282 1085 Y C 2.185 177.992 175.900 -0.154 0.000 1.139 1085 Y CA 1.957 59.932 58.100 -0.208 0.000 1.123 1085 Y CB -0.497 37.756 38.460 -0.345 0.000 0.980 1085 Y HN 0.202 nan 8.280 nan 0.000 0.493 1086 H N 0.475 119.431 119.070 -0.191 0.000 2.352 1086 H HA -0.140 4.417 4.556 0.002 0.000 0.299 1086 H C 2.079 177.263 175.328 -0.240 0.000 1.097 1086 H CA 1.949 57.847 56.048 -0.250 0.000 1.311 1086 H CB -0.384 29.352 29.762 -0.042 0.000 1.377 1086 H HN 0.596 nan 8.280 nan 0.000 0.504 1087 E N -0.172 119.991 120.200 -0.062 0.000 2.106 1087 E HA -0.103 4.248 4.350 0.002 0.000 0.192 1087 E C 2.094 178.632 176.600 -0.102 0.000 0.984 1087 E CA 1.284 57.634 56.400 -0.084 0.000 0.806 1087 E CB -0.012 29.652 29.700 -0.059 0.000 0.750 1087 E HN 0.356 nan 8.360 nan 0.000 0.458 1088 T N 1.600 116.070 114.554 -0.140 0.000 2.746 1088 T HA -0.130 4.221 4.350 0.002 0.000 0.267 1088 T C 1.850 176.451 174.700 -0.164 0.000 1.039 1088 T CA 0.775 62.788 62.100 -0.144 0.000 1.142 1088 T CB -0.048 68.725 68.868 -0.157 0.000 0.866 1088 T HN 0.063 nan 8.240 nan 0.000 0.444 1089 I N 1.190 121.618 120.570 -0.236 0.000 2.142 1089 I HA -0.092 4.079 4.170 0.002 0.000 0.240 1089 I C 2.384 178.470 176.117 -0.051 0.000 1.078 1089 I CA 1.347 62.553 61.300 -0.156 0.000 1.343 1089 I CB -1.438 36.476 38.000 -0.144 0.000 1.046 1089 I HN 0.272 nan 8.210 nan 0.000 0.405 1090 L N 0.207 121.400 121.223 -0.051 0.000 2.046 1090 L HA -0.180 4.161 4.340 0.002 0.000 0.208 1090 L C 2.704 179.554 176.870 -0.034 0.000 1.077 1090 L CA 1.325 56.147 54.840 -0.030 0.000 0.747 1090 L CB -0.557 41.464 42.059 -0.065 0.000 0.896 1090 L HN 0.211 nan 8.230 nan 0.000 0.432 1091 R N -0.593 119.880 120.500 -0.046 0.000 2.235 1091 R HA -0.082 4.259 4.340 0.002 0.000 0.213 1091 R C 1.858 178.142 176.300 -0.027 0.000 1.059 1091 R CA 0.525 56.603 56.100 -0.035 0.000 0.997 1091 R CB -0.085 30.192 30.300 -0.038 0.000 0.884 1091 R HN 0.329 nan 8.270 nan 0.000 0.462 1092 E N 0.484 120.666 120.200 -0.029 0.000 2.340 1092 E HA 0.109 4.460 4.350 0.002 0.000 0.194 1092 E C 0.292 176.899 176.600 0.011 0.000 0.996 1092 E CA 0.516 56.905 56.400 -0.018 0.000 0.869 1092 E CB 0.528 30.204 29.700 -0.039 0.000 0.835 1092 E HN 0.260 nan 8.360 nan 0.000 0.493 1093 I N 0.910 121.497 120.570 0.029 0.000 2.405 1093 I HA 0.256 4.427 4.170 0.002 0.000 0.280 1093 I C 0.067 176.210 176.117 0.044 0.000 1.027 1093 I CA -0.633 60.716 61.300 0.082 0.000 1.161 1093 I CB 1.430 39.524 38.000 0.157 0.000 1.300 1093 I HN -0.124 nan 8.210 nan 0.000 0.463 1094 A N 5.326 128.162 122.820 0.028 0.000 2.791 1094 A HA -0.075 4.246 4.320 0.002 0.000 0.292 1094 A C 1.247 178.790 177.584 -0.068 0.000 1.487 1094 A CA 0.818 52.833 52.037 -0.036 0.000 0.760 1094 A CB -1.578 17.348 19.000 -0.124 0.000 1.031 1094 A HN 2.154 nan 8.150 nan 0.000 0.503 1095 A N -1.540 121.261 122.820 -0.032 0.000 2.822 1095 A HA 0.351 4.672 4.320 0.002 0.000 0.287 1095 A C 1.619 179.175 177.584 -0.047 0.000 1.479 1095 A CA 1.497 53.520 52.037 -0.023 0.000 0.779 1095 A CB -2.139 16.864 19.000 0.005 0.000 1.022 1095 A HN 3.103 nan 8.150 nan 0.000 0.532 1096 G N -2.231 106.528 108.800 -0.068 0.000 2.273 1096 G HA2 -0.128 3.833 3.960 0.002 0.000 0.280 1096 G HA3 -0.128 3.833 3.960 0.002 0.000 0.280 1096 G C 0.783 175.610 174.900 -0.122 0.000 1.047 1096 G CA 0.891 45.946 45.100 -0.075 0.000 0.869 1096 G HN 1.648 nan 8.290 nan 0.000 0.502 1097 S N -1.307 114.240 115.700 -0.254 0.000 2.478 1097 S HA 0.217 4.688 4.470 0.002 0.000 0.222 1097 S C 0.631 175.017 174.600 -0.357 0.000 1.008 1097 S CA 0.368 58.347 58.200 -0.368 0.000 0.928 1097 S CB 0.151 63.084 63.200 -0.445 0.000 0.781 1097 S HN 0.490 nan 8.310 nan 0.000 0.518 1098 Y N 0.858 121.158 120.300 0.001 0.000 2.313 1098 Y HA 0.573 5.124 4.550 0.002 0.000 0.332 1098 Y C 1.308 177.218 175.900 0.017 0.000 1.071 1098 Y CA -1.397 56.697 58.100 -0.010 0.000 1.169 1098 Y CB 0.683 39.200 38.460 0.095 0.000 1.192 1098 Y HN 0.037 nan 8.280 nan 0.000 0.487 1099 G N 2.090 110.995 108.800 0.175 0.000 3.159 1099 G HA2 0.055 4.016 3.960 0.002 0.000 0.232 1099 G HA3 0.055 4.016 3.960 0.002 0.000 0.232 1099 G C 0.857 175.875 174.900 0.197 0.000 1.116 1099 G CA -0.167 45.084 45.100 0.252 0.000 0.767 1099 G HN 0.336 nan 8.290 nan 0.000 0.547 1100 R N 0.386 120.956 120.500 0.117 0.000 2.637 1100 R HA 0.314 4.655 4.340 0.002 0.000 0.446 1100 R C 0.065 176.321 176.300 -0.073 0.000 1.024 1100 R CA -0.364 55.788 56.100 0.086 0.000 1.080 1100 R CB -0.208 30.262 30.300 0.284 0.000 1.421 1100 R HN 0.228 nan 8.270 nan 0.000 0.593 1101 L N 1.322 122.416 121.223 -0.216 0.000 2.482 1101 L HA 0.066 4.407 4.340 0.002 0.000 0.273 1101 L C -0.867 175.515 176.870 -0.814 0.000 1.228 1101 L CA -1.215 53.333 54.840 -0.487 0.000 0.827 1101 L CB 0.236 41.991 42.059 -0.506 0.000 1.099 1101 L HN -0.178 nan 8.230 nan 0.000 0.494 1102 P HA -0.212 nan 4.420 nan 0.000 0.217 1102 P C 0.897 177.800 177.300 -0.661 0.000 1.151 1102 P CA 1.440 64.095 63.100 -0.741 0.000 0.849 1102 P CB -0.055 31.265 31.700 -0.634 0.000 0.787 1103 D N -0.531 119.512 120.400 -0.596 0.000 2.219 1103 D HA -0.119 4.522 4.640 0.002 0.000 0.205 1103 D C 1.711 177.783 176.300 -0.380 0.000 0.970 1103 D CA 1.358 55.229 54.000 -0.215 0.000 0.851 1103 D CB -0.877 40.096 40.800 0.288 0.000 0.943 1103 D HN 0.133 nan 8.370 nan 0.000 0.488 1104 A N 1.154 123.543 122.820 -0.719 0.000 1.873 1104 A HA -0.188 4.133 4.320 0.002 0.000 0.215 1104 A C 1.936 179.264 177.584 -0.428 0.000 1.186 1104 A CA 1.963 53.466 52.037 -0.891 0.000 0.616 1104 A CB -0.948 17.509 19.000 -0.904 0.000 0.823 1104 A HN 0.572 nan 8.150 nan 0.000 0.442 1105 H N -2.687 116.293 119.070 -0.149 0.000 2.639 1105 H HA 0.255 4.812 4.556 0.002 0.000 0.267 1105 H C 1.502 176.894 175.328 0.106 0.000 0.958 1105 H CA 0.440 56.463 56.048 -0.042 0.000 1.221 1105 H CB -0.453 29.303 29.762 -0.010 0.000 1.446 1105 H HN 0.271 nan 8.280 nan 0.000 0.512 1106 N N 0.659 119.506 118.700 0.246 0.000 2.166 1106 N HA -0.190 4.551 4.740 0.002 0.000 0.186 1106 N C 1.214 176.941 175.510 0.362 0.000 1.019 1106 N CA 1.160 54.434 53.050 0.372 0.000 0.856 1106 N CB -0.530 38.014 38.487 0.096 0.000 0.993 1106 N HN 0.419 nan 8.380 nan 0.000 0.426 1107 Y N 1.611 121.937 120.300 0.043 0.000 2.574 1107 Y HA -0.113 4.438 4.550 0.002 0.000 0.294 1107 Y C 2.152 178.072 175.900 0.035 0.000 1.142 1107 Y CA 1.214 59.297 58.100 -0.029 0.000 1.314 1107 Y CB -0.399 37.929 38.460 -0.220 0.000 0.991 1107 Y HN 0.161 nan 8.280 nan 0.000 0.555 1108 T N -3.499 111.137 114.554 0.136 0.000 3.007 1108 T HA -0.189 4.162 4.350 0.002 0.000 0.270 1108 T C 1.585 176.273 174.700 -0.019 0.000 1.107 1108 T CA 0.932 63.062 62.100 0.051 0.000 1.118 1108 T CB -0.920 67.890 68.868 -0.096 0.000 0.889 1108 T HN 0.264 nan 8.240 nan 0.000 0.506 1109 F N 2.841 122.840 119.950 0.082 0.000 2.451 1109 F HA 0.024 4.552 4.527 0.002 0.000 0.299 1109 F C 2.808 178.618 175.800 0.018 0.000 1.101 1109 F CA 1.230 59.317 58.000 0.145 0.000 1.436 1109 F CB -0.719 38.361 39.000 0.134 0.000 1.074 1109 F HN 0.355 nan 8.300 nan 0.000 0.553 1110 T N -4.061 110.467 114.554 -0.043 0.000 2.977 1110 T HA -0.162 4.189 4.350 0.002 0.000 0.271 1110 T C 1.923 176.633 174.700 0.016 0.000 1.105 1110 T CA 1.611 63.628 62.100 -0.138 0.000 1.116 1110 T CB -0.829 67.706 68.868 -0.554 0.000 0.878 1110 T HN 0.176 nan 8.240 nan 0.000 0.509 1111 T N 1.259 115.824 114.554 0.020 0.000 2.652 1111 T HA -0.112 4.239 4.350 0.002 0.000 0.267 1111 T C 1.436 176.169 174.700 0.055 0.000 1.039 1111 T CA 1.865 63.989 62.100 0.041 0.000 1.153 1111 T CB -0.700 68.127 68.868 -0.068 0.000 0.863 1111 T HN 0.609 nan 8.240 nan 0.000 0.428 1112 Y N 1.419 121.714 120.300 -0.009 0.000 2.165 1112 Y HA -0.093 4.458 4.550 0.002 0.000 0.286 1112 Y C 2.807 178.697 175.900 -0.018 0.000 1.155 1112 Y CA 0.784 58.785 58.100 -0.165 0.000 1.164 1112 Y CB -0.625 37.549 38.460 -0.477 0.000 0.978 1112 Y HN 0.203 nan 8.280 nan 0.000 0.513 1113 A N 0.060 122.966 122.820 0.144 0.000 1.972 1113 A HA -0.200 4.121 4.320 0.002 0.000 0.219 1113 A C 1.803 179.479 177.584 0.154 0.000 1.169 1113 A CA 1.911 54.015 52.037 0.112 0.000 0.635 1113 A CB -0.612 18.434 19.000 0.076 0.000 0.810 1113 A HN 0.373 nan 8.150 nan 0.000 0.446 1114 D N -0.443 120.063 120.400 0.177 0.000 2.178 1114 D HA -0.068 4.573 4.640 0.002 0.000 0.201 1114 D C -0.006 176.427 176.300 0.223 0.000 0.980 1114 D CA 1.532 55.651 54.000 0.199 0.000 0.842 1114 D CB 0.042 40.972 40.800 0.217 0.000 0.948 1114 D HN 0.444 nan 8.370 nan 0.000 0.472 1115 D N -2.051 118.513 120.400 0.275 0.000 2.634 1115 D HA 0.109 4.750 4.640 0.002 0.000 0.236 1115 D C -2.267 174.246 176.300 0.355 0.000 1.323 1115 D CA -1.253 52.919 54.000 0.286 0.000 0.884 1115 D CB 1.307 42.289 40.800 0.304 0.000 1.496 1115 D HN -0.180 nan 8.370 nan 0.000 0.525 1116 P HA -0.027 nan 4.420 nan 0.000 0.216 1116 P C 0.964 178.430 177.300 0.277 0.000 1.153 1116 P CA 0.918 64.147 63.100 0.214 0.000 0.844 1116 P CB 0.646 32.361 31.700 0.025 0.000 0.787 1117 E N -0.301 120.028 120.200 0.214 0.000 2.110 1117 E HA -0.127 4.224 4.350 0.002 0.000 0.193 1117 E C 2.023 178.698 176.600 0.125 0.000 0.988 1117 E CA 0.697 57.194 56.400 0.161 0.000 0.804 1117 E CB -1.509 28.264 29.700 0.121 0.000 0.745 1117 E HN -0.012 nan 8.360 nan 0.000 0.458 1118 V N -0.415 119.551 119.914 0.088 0.000 2.568 1118 V HA -0.229 3.892 4.120 0.002 0.000 0.253 1118 V C 1.141 177.063 176.094 -0.287 0.000 1.072 1118 V CA 1.619 63.844 62.300 -0.126 0.000 1.084 1118 V CB -0.362 31.314 31.823 -0.244 0.000 0.676 1118 V HN 0.421 nan 8.190 nan 0.000 0.469 1119 W N 0.267 121.502 121.300 -0.109 0.000 2.467 1119 W HA 0.006 4.666 4.660 0.002 0.000 0.275 1119 W C 2.500 179.035 176.519 0.026 0.000 1.239 1119 W CA 1.308 58.607 57.345 -0.076 0.000 1.266 1119 W CB -0.074 29.477 29.460 0.153 0.000 1.112 1119 W HN 0.349 nan 8.180 nan 0.000 0.576 1120 E N 0.693 121.017 120.200 0.207 0.000 2.057 1120 E HA -0.145 4.206 4.350 0.002 0.000 0.190 1120 E C 1.810 178.423 176.600 0.022 0.000 0.969 1120 E CA 0.902 57.374 56.400 0.121 0.000 0.812 1120 E CB 0.046 29.812 29.700 0.110 0.000 0.777 1120 E HN -0.131 nan 8.360 nan 0.000 0.455 1121 K N 0.499 120.896 120.400 -0.006 0.000 2.211 1121 K HA -0.101 4.220 4.320 0.002 0.000 0.204 1121 K C 1.874 178.430 176.600 -0.073 0.000 1.047 1121 K CA 1.065 57.330 56.287 -0.037 0.000 0.935 1121 K CB 0.043 32.523 32.500 -0.033 0.000 0.728 1121 K HN 0.158 nan 8.250 nan 0.000 0.452 1122 Q N -0.203 119.516 119.800 -0.134 0.000 2.319 1122 Q HA 0.193 4.534 4.340 0.002 0.000 0.202 1122 Q C -0.052 175.917 176.000 -0.051 0.000 0.896 1122 Q CA 0.100 55.814 55.803 -0.149 0.000 0.942 1122 Q CB 0.583 29.057 28.738 -0.440 0.000 1.083 1122 Q HN 0.071 nan 8.270 nan 0.000 0.510 1123 S N 0.700 116.331 115.700 -0.116 0.000 2.579 1123 S HA 0.332 4.803 4.470 0.002 0.000 0.275 1123 S C 0.358 174.878 174.600 -0.134 0.000 1.345 1123 S CA 0.001 58.030 58.200 -0.285 0.000 1.031 1123 S CB 0.618 63.702 63.200 -0.193 0.000 0.892 1123 S HN 0.153 nan 8.310 nan 0.000 0.529 1124 I N 0.952 121.448 120.570 -0.124 0.000 2.533 1124 I HA 0.512 4.683 4.170 0.002 0.000 0.290 1124 I C 0.864 176.978 176.117 -0.006 0.000 1.056 1124 I CA -0.406 60.871 61.300 -0.037 0.000 1.057 1124 I CB 1.771 39.770 38.000 -0.002 0.000 1.240 1124 I HN 0.866 nan 8.210 nan 0.000 0.423 1125 G N 4.317 113.126 108.800 0.014 0.000 2.157 1125 G HA2 -0.208 3.753 3.960 0.002 0.000 0.248 1125 G HA3 -0.208 3.753 3.960 0.002 0.000 0.248 1125 G C 0.433 175.390 174.900 0.095 0.000 0.979 1125 G CA 0.231 45.363 45.100 0.054 0.000 0.650 1125 G HN 0.923 nan 8.290 nan 0.000 0.529 1126 A N -0.324 122.515 122.820 0.032 0.000 2.589 1126 A HA 0.659 4.980 4.320 0.002 0.000 0.283 1126 A C 0.480 177.969 177.584 -0.157 0.000 1.187 1126 A CA 0.386 52.395 52.037 -0.047 0.000 0.957 1126 A CB 0.270 19.279 19.000 0.015 0.000 1.175 1126 A HN 0.377 nan 8.150 nan 0.000 0.532 1127 E N -0.184 119.961 120.200 -0.090 0.000 2.652 1127 E HA 0.330 4.681 4.350 0.002 0.000 0.255 1127 E C 1.328 177.847 176.600 -0.135 0.000 0.952 1127 E CA 1.711 58.056 56.400 -0.090 0.000 0.947 1127 E CB 0.060 29.729 29.700 -0.051 0.000 0.912 1127 E HN 0.847 nan 8.360 nan 0.000 0.489 1128 G N 2.854 111.576 108.800 -0.130 0.000 2.213 1128 G HA2 -0.256 3.705 3.960 0.002 0.000 0.236 1128 G HA3 -0.256 3.705 3.960 0.002 0.000 0.236 1128 G C 0.016 174.796 174.900 -0.201 0.000 0.991 1128 G CA -0.349 44.667 45.100 -0.140 0.000 0.629 1128 G HN 0.335 nan 8.290 nan 0.000 0.517 1129 R N 0.549 120.879 120.500 -0.285 0.000 2.410 1129 R HA 0.430 4.771 4.340 0.002 0.000 0.288 1129 R C -0.447 175.751 176.300 -0.170 0.000 1.051 1129 R CA -0.896 54.990 56.100 -0.357 0.000 1.021 1129 R CB 0.688 30.590 30.300 -0.664 0.000 1.032 1129 R HN 0.223 nan 8.270 nan 0.000 0.481 1130 N N 2.821 121.454 118.700 -0.111 0.000 2.500 1130 N HA 0.064 4.805 4.740 0.002 0.000 0.236 1130 N C 0.193 175.726 175.510 0.038 0.000 1.022 1130 N CA -0.197 52.843 53.050 -0.017 0.000 0.935 1130 N CB 0.581 39.072 38.487 0.005 0.000 1.147 1130 N HN 0.315 nan 8.380 nan 0.000 0.512 1131 L N 2.309 123.577 121.223 0.075 0.000 2.298 1131 L HA 0.153 4.494 4.340 0.002 0.000 0.209 1131 L C 2.050 179.021 176.870 0.169 0.000 1.084 1131 L CA 0.935 55.865 54.840 0.151 0.000 0.816 1131 L CB -1.101 41.074 42.059 0.193 0.000 0.967 1131 L HN 0.479 nan 8.230 nan 0.000 0.460 1132 T N 0.514 115.153 114.554 0.142 0.000 2.665 1132 T HA -0.298 4.053 4.350 0.002 0.000 0.268 1132 T C 1.764 176.550 174.700 0.143 0.000 1.035 1132 T CA 1.969 64.146 62.100 0.128 0.000 1.151 1132 T CB -0.241 68.722 68.868 0.160 0.000 0.862 1132 T HN 0.566 nan 8.240 nan 0.000 0.438 1133 Q N 1.150 121.065 119.800 0.193 0.000 2.234 1133 Q HA -0.132 4.209 4.340 0.002 0.000 0.206 1133 Q C 1.909 178.021 176.000 0.186 0.000 0.980 1133 Q CA 1.364 57.303 55.803 0.228 0.000 0.869 1133 Q CB -0.368 28.456 28.738 0.145 0.000 0.912 1133 Q HN 0.386 nan 8.270 nan 0.000 0.436 1134 N N 1.196 119.998 118.700 0.171 0.000 2.142 1134 N HA -0.046 4.695 4.740 0.002 0.000 0.186 1134 N C 1.835 177.481 175.510 0.225 0.000 1.023 1134 N CA 1.236 54.417 53.050 0.218 0.000 0.852 1134 N CB -0.171 38.470 38.487 0.256 0.000 0.998 1134 N HN 0.339 nan 8.380 nan 0.000 0.424 1135 I N 0.710 121.301 120.570 0.034 0.000 2.127 1135 I HA -0.299 3.872 4.170 0.002 0.000 0.241 1135 I C 1.890 177.878 176.117 -0.216 0.000 1.075 1135 I CA 1.438 62.545 61.300 -0.322 0.000 1.334 1135 I CB -0.450 37.236 38.000 -0.523 0.000 1.040 1135 I HN 0.211 nan 8.210 nan 0.000 0.405 1136 H N 0.392 119.456 119.070 -0.010 0.000 2.387 1136 H HA -0.121 4.436 4.556 0.002 0.000 0.299 1136 H C 2.145 177.457 175.328 -0.027 0.000 1.090 1136 H CA 1.452 57.489 56.048 -0.019 0.000 1.332 1136 H CB -0.130 29.634 29.762 0.002 0.000 1.386 1136 H HN 0.311 nan 8.280 nan 0.000 0.516 1137 N N 0.389 119.169 118.700 0.133 0.000 2.039 1137 N HA -0.168 4.573 4.740 0.002 0.000 0.193 1137 N C 1.750 177.284 175.510 0.040 0.000 1.044 1137 N CA 1.110 54.212 53.050 0.087 0.000 0.847 1137 N CB -0.662 37.898 38.487 0.122 0.000 1.030 1137 N HN 0.242 nan 8.380 nan 0.000 0.422 1138 F N 1.952 121.864 119.950 -0.064 0.000 2.171 1138 F HA -0.020 4.508 4.527 0.002 0.000 0.300 1138 F C 2.104 177.732 175.800 -0.287 0.000 1.090 1138 F CA 0.770 58.672 58.000 -0.164 0.000 1.293 1138 F CB -0.241 38.721 39.000 -0.064 0.000 1.013 1138 F HN -0.044 nan 8.300 nan 0.000 0.486 1139 L N 0.523 121.564 121.223 -0.303 0.000 2.012 1139 L HA -0.274 4.067 4.340 0.002 0.000 0.210 1139 L C 2.495 179.124 176.870 -0.402 0.000 1.073 1139 L CA 2.204 56.817 54.840 -0.378 0.000 0.748 1139 L CB -1.220 40.737 42.059 -0.171 0.000 0.891 1139 L HN 0.231 nan 8.230 nan 0.000 0.431 1140 K N 0.050 120.287 120.400 -0.273 0.000 2.026 1140 K HA -0.234 4.087 4.320 0.002 0.000 0.208 1140 K C 2.170 178.552 176.600 -0.364 0.000 1.048 1140 K CA 1.204 57.333 56.287 -0.264 0.000 0.929 1140 K CB -0.129 32.281 32.500 -0.150 0.000 0.713 1140 K HN 0.066 nan 8.250 nan 0.000 0.439 1141 L N 1.588 122.579 121.223 -0.386 0.000 1.989 1141 L HA -0.165 4.176 4.340 0.002 0.000 0.211 1141 L C 2.010 178.527 176.870 -0.588 0.000 1.071 1141 L CA 1.563 56.154 54.840 -0.416 0.000 0.749 1141 L CB -0.666 41.176 42.059 -0.361 0.000 0.890 1141 L HN 0.311 nan 8.230 nan 0.000 0.431 1142 L N -0.561 120.115 121.223 -0.911 0.000 1.997 1142 L HA -0.317 4.024 4.340 0.002 0.000 0.216 1142 L C 2.918 179.311 176.870 -0.795 0.000 1.074 1142 L CA 2.192 56.507 54.840 -0.876 0.000 0.763 1142 L CB -0.327 41.107 42.059 -1.042 0.000 0.890 1142 L HN 0.405 nan 8.230 nan 0.000 0.434 1143 R N -0.502 119.405 120.500 -0.988 0.000 2.075 1143 R HA -0.129 4.212 4.340 0.002 0.000 0.226 1143 R C 2.080 177.802 176.300 -0.964 0.000 1.114 1143 R CA 1.366 56.567 56.100 -1.499 0.000 0.972 1143 R CB 0.024 29.700 30.300 -1.040 0.000 0.869 1143 R HN 0.478 nan 8.270 nan 0.000 0.437 1144 E N -0.138 119.718 120.200 -0.574 0.000 2.122 1144 E HA -0.081 4.270 4.350 0.002 0.000 0.190 1144 E C 1.580 178.020 176.600 -0.266 0.000 0.977 1144 E CA 0.543 56.723 56.400 -0.367 0.000 0.820 1144 E CB 0.203 29.743 29.700 -0.267 0.000 0.770 1144 E HN 0.040 nan 8.360 nan 0.000 0.462 1145 K N 0.893 121.141 120.400 -0.253 0.000 2.459 1145 K HA -0.040 4.281 4.320 0.002 0.000 0.193 1145 K C -0.074 176.469 176.600 -0.095 0.000 1.030 1145 K CA 0.284 56.483 56.287 -0.148 0.000 1.026 1145 K CB -0.100 32.328 32.500 -0.120 0.000 0.809 1145 K HN 0.013 nan 8.250 nan 0.000 0.504 1146 D N 0.663 120.982 120.400 -0.135 0.000 2.699 1146 D HA -0.183 4.458 4.640 0.002 0.000 0.239 1146 D C -0.711 175.744 176.300 0.258 0.000 1.136 1146 D CA 0.354 54.435 54.000 0.134 0.000 0.668 1146 D CB -1.311 39.586 40.800 0.161 0.000 1.060 1146 D HN 0.133 nan 8.370 nan 0.000 0.429 1147 L N 0.056 121.380 121.223 0.169 0.000 2.466 1147 L HA 0.309 4.650 4.340 0.002 0.000 0.257 1147 L C 1.144 178.246 176.870 0.387 0.000 1.189 1147 L CA -0.500 54.471 54.840 0.219 0.000 0.813 1147 L CB 0.492 42.576 42.059 0.042 0.000 1.118 1147 L HN 0.118 nan 8.230 nan 0.000 0.471 1148 N N 0.529 119.477 118.700 0.413 0.000 2.446 1148 N HA 0.232 4.973 4.740 0.002 0.000 0.265 1148 N C -1.448 174.333 175.510 0.451 0.000 0.975 1148 N CA -0.378 52.937 53.050 0.441 0.000 0.928 1148 N CB 1.446 40.188 38.487 0.424 0.000 1.160 1148 N HN 0.548 nan 8.380 nan 0.000 0.495 1149 C N 6.826 126.416 119.300 0.483 0.000 2.647 1149 C HA 0.557 5.018 4.460 0.002 0.000 0.273 1149 C C -2.507 172.640 174.990 0.262 0.000 1.088 1149 C CA -1.767 57.539 59.018 0.480 0.000 1.529 1149 C CB -0.612 27.502 27.740 0.624 0.000 1.810 1149 C HN 0.647 nan 8.230 nan 0.000 0.422 1150 P HA 0.174 nan 4.420 nan 0.000 0.268 1150 P C -0.538 176.732 177.300 -0.051 0.000 1.208 1150 P CA 0.268 63.044 63.100 -0.540 0.000 0.777 1150 P CB 0.521 32.123 31.700 -0.163 0.000 0.875 1151 L N 2.778 123.951 121.223 -0.084 0.000 2.395 1151 L HA 0.323 4.664 4.340 0.002 0.000 0.269 1151 L C 0.929 177.939 176.870 0.234 0.000 1.133 1151 L CA 0.317 55.199 54.840 0.070 0.000 0.812 1151 L CB 0.211 42.154 42.059 -0.193 0.000 1.125 1151 L HN 0.337 nan 8.230 nan 0.000 0.452 1152 N N 1.231 120.185 118.700 0.423 0.000 2.726 1152 N HA 0.240 4.981 4.740 0.002 0.000 0.253 1152 N C -0.362 175.399 175.510 0.418 0.000 1.530 1152 N CA -0.075 53.199 53.050 0.373 0.000 0.772 1152 N CB 0.462 39.129 38.487 0.300 0.000 1.220 1152 N HN 0.377 nan 8.380 nan 0.000 0.508 1153 F N -0.553 119.491 119.950 0.156 0.000 2.653 1153 F HA 0.315 4.843 4.527 0.002 0.000 0.288 1153 F C 0.940 176.815 175.800 0.124 0.000 1.121 1153 F CA 0.087 58.175 58.000 0.146 0.000 1.384 1153 F CB 0.390 39.579 39.000 0.316 0.000 1.115 1153 F HN -0.020 nan 8.300 nan 0.000 0.599 1154 V N 2.387 122.508 119.914 0.346 0.000 2.572 1154 V HA 0.060 4.181 4.120 0.002 0.000 0.291 1154 V C -0.093 176.096 176.094 0.159 0.000 1.039 1154 V CA -0.326 62.122 62.300 0.246 0.000 1.055 1154 V CB 0.349 32.360 31.823 0.312 0.000 0.969 1154 V HN 0.005 nan 8.190 nan 0.000 0.482 1155 D N 4.986 125.451 120.400 0.109 0.000 2.326 1155 D HA 0.430 5.071 4.640 0.002 0.000 0.251 1155 D C -2.426 173.914 176.300 0.067 0.000 1.023 1155 D CA -1.519 52.520 54.000 0.064 0.000 0.966 1155 D CB 1.424 42.236 40.800 0.020 0.000 1.156 1155 D HN 0.302 nan 8.370 nan 0.000 0.494 1156 P HA 0.009 nan 4.420 nan 0.000 0.265 1156 P C -0.350 176.970 177.300 0.032 0.000 1.187 1156 P CA 0.138 63.261 63.100 0.038 0.000 0.766 1156 P CB 0.402 32.114 31.700 0.021 0.000 0.820 1157 Q N 1.272 121.094 119.800 0.038 0.000 2.247 1157 Q HA 0.016 4.357 4.340 0.002 0.000 0.288 1157 Q C -0.102 175.904 176.000 0.011 0.000 1.079 1157 Q CA 0.693 56.514 55.803 0.030 0.000 0.932 1157 Q CB -0.145 28.614 28.738 0.036 0.000 1.133 1157 Q HN 0.387 nan 8.270 nan 0.000 0.377 1158 T N 4.832 119.386 114.554 0.000 0.000 3.416 1158 T HA -0.001 4.350 4.350 0.002 0.000 0.247 1158 T C -0.463 174.232 174.700 -0.008 0.000 0.973 1158 T CA -0.124 61.970 62.100 -0.011 0.000 1.166 1158 T CB -0.336 68.517 68.868 -0.025 0.000 1.040 1158 T HN 0.444 nan 8.240 nan 0.000 0.746 1159 D N 2.422 122.819 120.400 -0.005 0.000 2.458 1159 D HA 0.006 4.647 4.640 0.002 0.000 0.243 1159 D C 0.985 177.280 176.300 -0.007 0.000 1.146 1159 D CA 0.130 54.127 54.000 -0.005 0.000 0.877 1159 D CB 0.853 41.651 40.800 -0.004 0.000 1.176 1159 D HN 0.381 nan 8.370 nan 0.000 0.461 1160 R N 1.727 122.223 120.500 -0.007 0.000 2.823 1160 R HA 0.038 4.379 4.340 0.002 0.000 0.250 1160 R C 1.497 177.793 176.300 -0.007 0.000 1.332 1160 R CA -0.258 55.837 56.100 -0.008 0.000 1.259 1160 R CB 0.045 30.341 30.300 -0.008 0.000 1.225 1160 R HN 0.280 nan 8.270 nan 0.000 0.545 1161 S N -0.175 115.521 115.700 -0.007 0.000 2.436 1161 S HA -0.123 4.348 4.470 0.002 0.000 0.215 1161 S C 1.173 175.769 174.600 -0.006 0.000 1.047 1161 S CA 1.446 59.642 58.200 -0.007 0.000 1.086 1161 S CB 0.017 63.213 63.200 -0.007 0.000 1.072 1161 S HN 0.375 nan 8.310 nan 0.000 0.411 1162 S N -0.682 115.014 115.700 -0.006 0.000 6.975 1162 S HA 0.012 4.483 4.470 0.002 0.000 0.064 1162 S C -0.275 174.321 174.600 -0.006 0.000 1.373 1162 S CA 0.119 58.316 58.200 -0.005 0.000 1.206 1162 S CB -0.875 62.322 63.200 -0.004 0.000 1.504 1162 S HN 0.366 nan 8.310 nan 0.000 0.539 1163 D N 2.148 122.545 120.400 -0.006 0.000 2.349 1163 D HA 0.527 5.168 4.640 0.002 0.000 0.214 1163 D C 1.282 177.578 176.300 -0.007 0.000 1.063 1163 D CA 0.731 54.728 54.000 -0.005 0.000 0.847 1163 D CB 0.262 41.060 40.800 -0.005 0.000 0.933 1163 D HN 0.405 nan 8.370 nan 0.000 0.513 1164 A N 0.681 123.496 122.820 -0.008 0.000 1.935 1164 A HA 0.281 4.602 4.320 0.002 0.000 0.214 1164 A C 2.021 179.599 177.584 -0.010 0.000 1.178 1164 A CA 1.010 53.042 52.037 -0.009 0.000 0.640 1164 A CB -0.165 18.830 19.000 -0.009 0.000 0.825 1164 A HN 0.204 nan 8.150 nan 0.000 0.447 1165 A N -1.281 121.533 122.820 -0.010 0.000 2.370 1165 A HA 0.357 4.678 4.320 0.002 0.000 0.238 1165 A C 0.649 178.225 177.584 -0.013 0.000 1.289 1165 A CA 0.174 52.203 52.037 -0.013 0.000 0.885 1165 A CB -0.240 18.751 19.000 -0.014 0.000 0.961 1165 A HN 0.488 nan 8.150 nan 0.000 0.499 1166 Q N -0.812 118.982 119.800 -0.009 0.000 2.414 1166 Q HA 0.489 4.830 4.340 0.002 0.000 0.256 1166 Q C 0.329 176.325 176.000 -0.006 0.000 0.974 1166 Q CA 0.345 56.144 55.803 -0.007 0.000 0.723 1166 Q CB 0.904 29.639 28.738 -0.005 0.000 1.281 1166 Q HN 0.953 nan 8.270 nan 0.000 0.470 1167 A N 3.343 126.160 122.820 -0.006 0.000 1.467 1167 A HA -0.323 3.998 4.320 0.002 0.000 0.224 1167 A C 1.072 178.653 177.584 -0.006 0.000 0.387 1167 A CA 1.857 53.891 52.037 -0.005 0.000 1.098 1167 A CB -1.169 17.829 19.000 -0.002 0.000 1.464 1167 A HN 0.662 nan 8.150 nan 0.000 0.719 1168 R N 2.086 122.583 120.500 -0.006 0.000 2.849 1168 R HA 0.392 4.733 4.340 0.002 0.000 0.238 1168 R C 0.209 176.505 176.300 -0.008 0.000 1.403 1168 R CA 0.889 56.985 56.100 -0.006 0.000 1.303 1168 R CB -0.893 29.404 30.300 -0.006 0.000 1.191 1168 R HN 0.656 nan 8.270 nan 0.000 0.533 1169 S N 0.763 116.458 115.700 -0.009 0.000 2.589 1169 S HA 0.128 4.599 4.470 0.002 0.000 0.265 1169 S C -1.657 172.939 174.600 -0.006 0.000 1.342 1169 S CA -0.984 57.210 58.200 -0.009 0.000 1.005 1169 S CB 0.927 64.120 63.200 -0.012 0.000 0.909 1169 S HN 0.220 nan 8.310 nan 0.000 0.555 1170 P HA 0.105 nan 4.420 nan 0.000 0.245 1170 P C -0.558 176.748 177.300 0.010 0.000 1.206 1170 P CA 0.089 63.191 63.100 0.004 0.000 0.781 1170 P CB -0.134 31.567 31.700 0.002 0.000 0.994 1171 N N 0.649 119.348 118.700 -0.002 0.000 2.356 1171 N HA 0.019 4.760 4.740 0.002 0.000 0.252 1171 N C -0.079 175.414 175.510 -0.029 0.000 1.241 1171 N CA -0.007 53.035 53.050 -0.013 0.000 0.861 1171 N CB -0.086 38.387 38.487 -0.024 0.000 1.075 1171 N HN -0.028 nan 8.380 nan 0.000 0.461 1172 L N 2.857 124.045 121.223 -0.057 0.000 2.513 1172 L HA 0.105 4.446 4.340 0.002 0.000 0.272 1172 L C 0.511 177.304 176.870 -0.129 0.000 1.187 1172 L CA 0.500 55.266 54.840 -0.125 0.000 0.895 1172 L CB -0.186 41.711 42.059 -0.270 0.000 1.147 1172 L HN 0.651 nan 8.230 nan 0.000 0.483 1173 R N 4.575 125.010 120.500 -0.108 0.000 2.771 1173 R HA 0.596 4.937 4.340 0.002 0.000 0.274 1173 R C -1.165 175.081 176.300 -0.090 0.000 0.987 1173 R CA -0.994 55.055 56.100 -0.085 0.000 0.908 1173 R CB 0.918 31.190 30.300 -0.047 0.000 1.213 1173 R HN 0.527 nan 8.270 nan 0.000 0.468 1174 I N 3.557 124.081 120.570 -0.077 0.000 2.436 1174 I HA 0.008 4.179 4.170 0.002 0.000 0.289 1174 I C 1.474 177.566 176.117 -0.042 0.000 1.083 1174 I CA -0.379 60.877 61.300 -0.073 0.000 1.372 1174 I CB 1.493 39.456 38.000 -0.061 0.000 1.408 1174 I HN 0.640 nan 8.210 nan 0.000 0.516 1175 V N 1.933 121.824 119.914 -0.038 0.000 3.085 1175 V HA 0.247 4.368 4.120 0.002 0.000 0.245 1175 V C 0.476 176.565 176.094 -0.008 0.000 1.114 1175 V CA 0.494 62.784 62.300 -0.017 0.000 1.108 1175 V CB -0.012 31.805 31.823 -0.011 0.000 0.798 1175 V HN 0.757 nan 8.190 nan 0.000 0.471 1176 E N 0.385 120.577 120.200 -0.013 0.000 2.275 1176 E HA 0.465 4.816 4.350 0.002 0.000 0.270 1176 E C -1.050 175.547 176.600 -0.005 0.000 0.882 1176 E CA -0.465 55.936 56.400 0.002 0.000 0.758 1176 E CB 1.936 31.642 29.700 0.010 0.000 1.195 1176 E HN 0.347 nan 8.360 nan 0.000 0.419 1177 K N 3.160 123.578 120.400 0.029 0.000 2.404 1177 K HA 0.367 4.688 4.320 0.002 0.000 0.257 1177 K C -0.694 175.976 176.600 0.115 0.000 1.026 1177 K CA -0.497 55.829 56.287 0.064 0.000 0.951 1177 K CB 1.604 34.186 32.500 0.136 0.000 1.203 1177 K HN 0.501 nan 8.250 nan 0.000 0.446 1178 T N 1.101 115.719 114.554 0.106 0.000 2.824 1178 T HA 0.009 4.360 4.350 0.002 0.000 0.277 1178 T C 0.996 175.890 174.700 0.322 0.000 0.975 1178 T CA -0.497 61.695 62.100 0.154 0.000 0.966 1178 T CB 0.703 69.637 68.868 0.111 0.000 1.054 1178 T HN 0.614 nan 8.240 nan 0.000 0.533 1179 D N -0.397 120.174 120.400 0.285 0.000 2.340 1179 D HA -0.009 4.632 4.640 0.002 0.000 0.220 1179 D C 0.707 177.282 176.300 0.460 0.000 1.039 1179 D CA 0.433 54.648 54.000 0.359 0.000 0.866 1179 D CB 0.111 41.017 40.800 0.178 0.000 0.913 1179 D HN 0.342 nan 8.370 nan 0.000 0.523 1180 D N -0.129 120.509 120.400 0.397 0.000 2.388 1180 D HA 0.257 4.898 4.640 0.002 0.000 0.208 1180 D C 1.189 177.733 176.300 0.407 0.000 1.035 1180 D CA 0.840 55.090 54.000 0.416 0.000 0.875 1180 D CB 1.437 42.385 40.800 0.245 0.000 0.984 1180 D HN 0.375 nan 8.370 nan 0.000 0.508 1181 G N 0.562 109.371 108.800 0.016 0.000 2.356 1181 G HA2 0.393 4.354 3.960 0.002 0.000 0.281 1181 G HA3 0.393 4.354 3.960 0.002 0.000 0.281 1181 G C -1.570 172.829 174.900 -0.836 0.000 1.246 1181 G CA -0.526 44.025 45.100 -0.915 0.000 0.889 1181 G HN 0.090 nan 8.290 nan 0.000 0.486 1182 I N -1.883 118.194 120.570 -0.823 0.000 2.846 1182 I HA 0.843 5.014 4.170 0.002 0.000 0.307 1182 I C -0.870 175.114 176.117 -0.221 0.000 1.053 1182 I CA -1.494 59.527 61.300 -0.465 0.000 1.050 1182 I CB 2.309 39.993 38.000 -0.527 0.000 1.239 1182 I HN 0.414 nan 8.210 nan 0.000 0.439 1183 I N 4.041 124.555 120.570 -0.093 0.000 2.406 1183 I HA 0.519 4.690 4.170 0.002 0.000 0.290 1183 I C -0.718 175.357 176.117 -0.069 0.000 0.999 1183 I CA -0.965 60.322 61.300 -0.023 0.000 1.124 1183 I CB 2.046 40.072 38.000 0.043 0.000 1.289 1183 I HN 0.358 nan 8.210 nan 0.000 0.441 1184 V N 5.965 125.833 119.914 -0.076 0.000 2.769 1184 V HA 0.564 4.685 4.120 0.002 0.000 0.312 1184 V C -1.098 174.971 176.094 -0.041 0.000 1.061 1184 V CA -0.375 61.856 62.300 -0.115 0.000 0.931 1184 V CB 2.449 34.126 31.823 -0.243 0.000 1.010 1184 V HN 0.846 nan 8.190 nan 0.000 0.433 1185 N N 2.849 121.523 118.700 -0.043 0.000 2.369 1185 N HA 0.804 5.545 4.740 0.002 0.000 0.287 1185 N C -0.413 175.111 175.510 0.023 0.000 1.067 1185 N CA 0.639 53.706 53.050 0.029 0.000 0.888 1185 N CB 2.145 40.645 38.487 0.023 0.000 1.616 1185 N HN 1.171 nan 8.380 nan 0.000 0.482 1186 G N 0.196 109.057 108.800 0.101 0.000 2.260 1186 G HA2 0.154 4.115 3.960 0.002 0.000 0.250 1186 G HA3 0.154 4.115 3.960 0.002 0.000 0.250 1186 G C -2.006 173.023 174.900 0.216 0.000 1.340 1186 G CA -0.303 44.853 45.100 0.093 0.000 1.056 1186 G HN 0.600 nan 8.290 nan 0.000 0.471 1187 V N 0.949 120.960 119.914 0.162 0.000 2.789 1187 V HA 0.704 4.825 4.120 0.002 0.000 0.311 1187 V C -0.804 175.411 176.094 0.201 0.000 1.073 1187 V CA -1.084 61.343 62.300 0.211 0.000 0.921 1187 V CB 2.007 33.890 31.823 0.101 0.000 1.009 1187 V HN 0.623 nan 8.190 nan 0.000 0.426 1188 K N 2.360 122.940 120.400 0.300 0.000 2.293 1188 K HA 0.640 4.961 4.320 0.002 0.000 0.267 1188 K C 0.721 177.415 176.600 0.156 0.000 1.010 1188 K CA -0.073 56.345 56.287 0.219 0.000 0.875 1188 K CB 1.604 34.288 32.500 0.307 0.000 1.106 1188 K HN 0.774 nan 8.250 nan 0.000 0.450 1189 A N 3.544 126.436 122.820 0.120 0.000 1.824 1189 A HA -0.039 4.282 4.320 0.002 0.000 0.215 1189 A C 0.565 178.193 177.584 0.073 0.000 1.209 1189 A CA 1.179 53.268 52.037 0.087 0.000 0.614 1189 A CB -0.107 18.944 19.000 0.086 0.000 0.852 1189 A HN 0.390 nan 8.150 nan 0.000 0.447 1190 V N -0.838 119.128 119.914 0.087 0.000 2.513 1190 V HA 0.671 4.792 4.120 0.002 0.000 0.299 1190 V C 0.160 176.324 176.094 0.118 0.000 1.035 1190 V CA -0.020 62.299 62.300 0.031 0.000 0.889 1190 V CB 1.035 32.765 31.823 -0.154 0.000 0.988 1190 V HN 0.793 nan 8.190 nan 0.000 0.440 1191 G N 1.587 110.450 108.800 0.105 0.000 2.753 1191 G HA2 0.574 4.535 3.960 0.002 0.000 0.295 1191 G HA3 0.574 4.535 3.960 0.002 0.000 0.295 1191 G C -0.882 174.097 174.900 0.132 0.000 1.437 1191 G CA -0.443 44.748 45.100 0.152 0.000 1.094 1191 G HN 0.543 nan 8.290 nan 0.000 0.540 1192 T N 0.727 115.380 114.554 0.166 0.000 2.767 1192 T HA 0.532 4.883 4.350 0.002 0.000 0.284 1192 T C 1.264 176.041 174.700 0.129 0.000 0.973 1192 T CA 0.914 63.094 62.100 0.133 0.000 0.996 1192 T CB 1.356 70.355 68.868 0.219 0.000 0.927 1192 T HN 1.944 nan 8.240 nan 0.000 0.456 1193 G N 2.926 111.799 108.800 0.122 0.000 2.153 1193 G HA2 -0.253 3.708 3.960 0.002 0.000 0.252 1193 G HA3 -0.253 3.708 3.960 0.002 0.000 0.252 1193 G C 1.019 176.132 174.900 0.355 0.000 0.994 1193 G CA -0.018 45.245 45.100 0.272 0.000 0.698 1193 G HN 0.668 nan 8.290 nan 0.000 0.521 1194 I N 0.782 121.492 120.570 0.232 0.000 2.208 1194 I HA -0.163 4.008 4.170 0.002 0.000 0.245 1194 I C 3.006 179.216 176.117 0.154 0.000 1.097 1194 I CA 2.006 63.410 61.300 0.173 0.000 1.363 1194 I CB -1.481 36.586 38.000 0.113 0.000 1.051 1194 I HN 0.476 nan 8.210 nan 0.000 0.413 1195 A N -0.786 122.105 122.820 0.119 0.000 2.239 1195 A HA -0.044 4.277 4.320 0.002 0.000 0.209 1195 A C 1.589 179.000 177.584 -0.289 0.000 1.171 1195 A CA 0.756 52.713 52.037 -0.135 0.000 0.768 1195 A CB -0.789 18.038 19.000 -0.289 0.000 0.790 1195 A HN 0.400 nan 8.150 nan 0.000 0.478 1196 F N -1.382 118.681 119.950 0.188 0.000 2.746 1196 F HA 0.318 4.846 4.527 0.002 0.000 0.320 1196 F C 1.384 177.400 175.800 0.360 0.000 1.097 1196 F CA -0.144 58.032 58.000 0.294 0.000 1.195 1196 F CB 0.411 39.650 39.000 0.397 0.000 1.056 1196 F HN 0.186 nan 8.300 nan 0.000 0.562 1197 G N -0.144 108.900 108.800 0.406 0.000 2.462 1197 G HA2 0.271 4.232 3.960 0.002 0.000 0.319 1197 G HA3 0.271 4.232 3.960 0.002 0.000 0.319 1197 G C -0.253 174.854 174.900 0.345 0.000 1.171 1197 G CA -0.292 45.046 45.100 0.396 0.000 0.920 1197 G HN 0.098 nan 8.290 nan 0.000 0.499 1198 D N -1.217 119.427 120.400 0.406 0.000 2.162 1198 D HA 0.083 4.724 4.640 0.002 0.000 0.203 1198 D C -0.215 176.332 176.300 0.412 0.000 0.967 1198 D CA 1.303 55.535 54.000 0.386 0.000 0.840 1198 D CB 0.120 41.189 40.800 0.449 0.000 0.972 1198 D HN 0.298 nan 8.370 nan 0.000 0.482 1199 Y N -0.592 119.852 120.300 0.240 0.000 2.605 1199 Y HA 0.457 5.008 4.550 0.002 0.000 0.343 1199 Y C -0.461 175.578 175.900 0.232 0.000 1.036 1199 Y CA -1.545 56.689 58.100 0.224 0.000 1.065 1199 Y CB 1.362 40.003 38.460 0.302 0.000 1.288 1199 Y HN -0.250 nan 8.280 nan 0.000 0.481 1200 M N 1.214 121.016 119.600 0.337 0.000 2.383 1200 M HA 0.486 4.967 4.480 0.002 0.000 0.325 1200 M C -1.393 175.163 176.300 0.426 0.000 1.092 1200 M CA -0.810 54.689 55.300 0.332 0.000 0.961 1200 M CB 1.896 34.640 32.600 0.240 0.000 1.672 1200 M HN 0.642 nan 8.290 nan 0.000 0.438 1201 H N 4.829 124.123 119.070 0.374 0.000 3.008 1201 H HA 0.486 5.043 4.556 0.002 0.000 0.268 1201 H C -1.082 174.485 175.328 0.399 0.000 1.323 1201 H CA -0.775 55.545 56.048 0.454 0.000 1.401 1201 H CB -0.182 29.844 29.762 0.441 0.000 1.556 1201 H HN 0.789 nan 8.280 nan 0.000 0.502 1202 I N 3.888 124.723 120.570 0.442 0.000 2.588 1202 I HA 0.335 4.506 4.170 0.002 0.000 0.283 1202 I C 1.162 177.143 176.117 -0.228 0.000 1.119 1202 I CA 0.576 61.925 61.300 0.081 0.000 1.419 1202 I CB 1.096 39.064 38.000 -0.053 0.000 1.394 1202 I HN 0.670 nan 8.210 nan 0.000 0.562 1203 G N 4.387 112.643 108.800 -0.906 0.000 2.488 1203 G HA2 0.568 4.529 3.960 0.002 0.000 0.301 1203 G HA3 0.568 4.529 3.960 0.002 0.000 0.301 1203 G C -1.639 172.371 174.900 -1.483 0.000 1.339 1203 G CA -0.416 43.585 45.100 -1.832 0.000 0.803 1203 G HN 0.914 nan 8.290 nan 0.000 0.482 1204 C N -1.045 117.532 119.300 -1.204 0.000 3.288 1204 C HA 0.900 5.361 4.460 0.002 0.000 0.318 1204 C C -0.978 174.052 174.990 0.068 0.000 1.356 1204 C CA -1.108 57.678 59.018 -0.387 0.000 1.359 1204 C CB 0.561 28.112 27.740 -0.315 0.000 1.688 1204 C HN 0.878 nan 8.230 nan 0.000 0.467 1205 L N 1.696 123.005 121.223 0.143 0.000 2.334 1205 L HA 0.495 4.836 4.340 0.002 0.000 0.276 1205 L C -0.325 176.642 176.870 0.162 0.000 1.014 1205 L CA -0.636 54.328 54.840 0.207 0.000 0.815 1205 L CB 1.185 43.324 42.059 0.134 0.000 1.268 1205 L HN 0.848 nan 8.230 nan 0.000 0.428 1206 Y N 3.606 123.961 120.300 0.091 0.000 2.480 1206 Y HA 0.351 4.902 4.550 0.002 0.000 0.338 1206 Y C 0.089 176.011 175.900 0.035 0.000 1.220 1206 Y CA -0.177 57.961 58.100 0.064 0.000 1.430 1206 Y CB 0.526 39.021 38.460 0.058 0.000 1.311 1206 Y HN 0.621 nan 8.280 nan 0.000 0.575 1207 R N 4.698 124.606 120.500 -0.986 0.000 2.668 1207 R HA 0.474 4.815 4.340 0.002 0.000 0.272 1207 R C -3.350 172.300 176.300 -1.083 0.000 1.019 1207 R CA -2.329 53.301 56.100 -0.783 0.000 0.894 1207 R CB 1.173 31.280 30.300 -0.322 0.000 1.228 1207 R HN 0.349 nan 8.270 nan 0.000 0.460 1208 P HA -0.024 nan 4.420 nan 0.000 0.259 1208 P C 0.520 177.706 177.300 -0.190 0.000 1.163 1208 P CA 1.881 64.833 63.100 -0.246 0.000 0.760 1208 P CB 0.369 32.033 31.700 -0.060 0.000 0.762 1209 G N 3.251 112.008 108.800 -0.071 0.000 2.198 1209 G HA2 -0.276 3.685 3.960 0.002 0.000 0.257 1209 G HA3 -0.276 3.685 3.960 0.002 0.000 0.257 1209 G C 0.114 174.988 174.900 -0.044 0.000 1.042 1209 G CA -0.263 44.825 45.100 -0.020 0.000 0.791 1209 G HN 0.651 nan 8.290 nan 0.000 0.502 1210 I N 1.028 121.552 120.570 -0.076 0.000 2.441 1210 I HA 0.419 4.590 4.170 0.002 0.000 0.287 1210 I C -1.452 174.684 176.117 0.032 0.000 1.049 1210 I CA -2.364 58.910 61.300 -0.044 0.000 1.381 1210 I CB 1.022 38.976 38.000 -0.078 0.000 1.409 1210 I HN -0.052 nan 8.210 nan 0.000 0.523 1211 P HA 0.111 nan 4.420 nan 0.000 0.269 1211 P C 0.564 177.901 177.300 0.060 0.000 1.209 1211 P CA -0.108 63.013 63.100 0.036 0.000 0.776 1211 P CB 0.725 32.435 31.700 0.015 0.000 0.876 1212 G N 1.933 110.776 108.800 0.070 0.000 2.443 1212 G HA2 -0.217 3.744 3.960 0.002 0.000 0.219 1212 G HA3 -0.217 3.744 3.960 0.002 0.000 0.219 1212 G C 0.935 175.876 174.900 0.068 0.000 1.131 1212 G CA 0.399 45.554 45.100 0.091 0.000 0.775 1212 G HN 0.688 nan 8.290 nan 0.000 0.547 1213 E N 0.029 120.252 120.200 0.037 0.000 2.418 1213 E HA -0.021 4.330 4.350 0.002 0.000 0.197 1213 E C 1.934 178.527 176.600 -0.011 0.000 1.026 1213 E CA 0.576 56.984 56.400 0.013 0.000 0.862 1213 E CB -0.092 29.610 29.700 0.003 0.000 0.799 1213 E HN 0.481 nan 8.360 nan 0.000 0.518 1214 Q N 0.527 120.324 119.800 -0.004 0.000 2.282 1214 Q HA 0.141 4.482 4.340 0.002 0.000 0.206 1214 Q C -0.313 175.661 176.000 -0.044 0.000 0.878 1214 Q CA -0.077 55.702 55.803 -0.041 0.000 0.944 1214 Q CB 1.266 29.981 28.738 -0.038 0.000 1.100 1214 Q HN 0.120 nan 8.270 nan 0.000 0.509 1215 V N 2.639 122.575 119.914 0.037 0.000 2.267 1215 V HA 0.213 4.334 4.120 0.002 0.000 0.254 1215 V C -0.370 175.809 176.094 0.143 0.000 1.144 1215 V CA -0.328 62.043 62.300 0.119 0.000 0.992 1215 V CB -0.231 31.777 31.823 0.308 0.000 1.199 1215 V HN 0.153 nan 8.190 nan 0.000 0.493 1216 I N 3.353 123.861 120.570 -0.104 0.000 2.498 1216 I HA 0.745 4.916 4.170 0.002 0.000 0.290 1216 I C -1.367 174.569 176.117 -0.301 0.000 1.032 1216 I CA -0.426 60.835 61.300 -0.064 0.000 1.073 1216 I CB 1.796 39.707 38.000 -0.148 0.000 1.251 1216 I HN 0.234 nan 8.210 nan 0.000 0.426 1217 F N 6.543 126.604 119.950 0.185 0.000 2.493 1217 F HA 0.938 5.466 4.527 0.002 0.000 0.329 1217 F C 0.273 176.109 175.800 0.060 0.000 1.126 1217 F CA -0.155 57.988 58.000 0.238 0.000 0.937 1217 F CB 1.934 41.266 39.000 0.553 0.000 1.146 1217 F HN 0.838 nan 8.300 nan 0.000 0.442 1218 A N 1.681 124.563 122.820 0.104 0.000 2.540 1218 A HA 0.922 5.243 4.320 0.002 0.000 0.291 1218 A C -2.007 175.455 177.584 -0.204 0.000 1.083 1218 A CA -0.530 51.234 52.037 -0.455 0.000 0.650 1218 A CB 1.026 19.795 19.000 -0.385 0.000 1.292 1218 A HN 1.253 nan 8.150 nan 0.000 0.435 1219 A N 0.872 123.421 122.820 -0.453 0.000 2.411 1219 A HA 0.668 4.989 4.320 0.002 0.000 0.285 1219 A C -0.463 177.074 177.584 -0.078 0.000 1.129 1219 A CA -0.102 51.820 52.037 -0.191 0.000 0.736 1219 A CB 0.062 18.651 19.000 -0.686 0.000 1.186 1219 A HN 1.966 nan 8.150 nan 0.000 0.445 1220 I N -0.269 120.296 120.570 -0.008 0.000 2.693 1220 I HA 0.769 4.940 4.170 0.002 0.000 0.303 1220 I C -2.947 172.897 176.117 -0.455 0.000 1.025 1220 I CA -3.131 58.060 61.300 -0.181 0.000 1.086 1220 I CB 2.364 40.285 38.000 -0.132 0.000 1.268 1220 I HN 0.199 nan 8.210 nan 0.000 0.440 1221 P HA 0.124 nan 4.420 nan 0.000 0.268 1221 P C 0.365 177.492 177.300 -0.289 0.000 1.208 1221 P CA 0.008 62.646 63.100 -0.770 0.000 0.777 1221 P CB 0.595 31.972 31.700 -0.539 0.000 0.875 1222 T N 0.067 114.526 114.554 -0.159 0.000 2.915 1222 T HA -0.107 4.244 4.350 0.002 0.000 0.269 1222 T C 1.129 175.771 174.700 -0.097 0.000 1.071 1222 T CA 1.423 63.480 62.100 -0.071 0.000 1.132 1222 T CB -0.729 68.136 68.868 -0.006 0.000 0.878 1222 T HN 0.582 nan 8.240 nan 0.000 0.479 1223 N N 1.400 120.039 118.700 -0.103 0.000 2.322 1223 N HA 0.015 4.756 4.740 0.002 0.000 0.216 1223 N C -0.313 175.147 175.510 -0.084 0.000 1.144 1223 N CA -0.056 52.941 53.050 -0.089 0.000 0.830 1223 N CB -0.672 37.772 38.487 -0.072 0.000 1.034 1223 N HN 0.036 nan 8.380 nan 0.000 0.484 1224 T N 2.961 117.457 114.554 -0.096 0.000 2.928 1224 T HA 0.129 4.480 4.350 0.002 0.000 0.305 1224 T C -2.403 172.269 174.700 -0.045 0.000 1.035 1224 T CA -0.381 61.678 62.100 -0.068 0.000 1.145 1224 T CB 0.593 69.420 68.868 -0.068 0.000 0.963 1224 T HN 0.224 nan 8.240 nan 0.000 0.545 1225 P HA 0.254 nan 4.420 nan 0.000 0.265 1225 P C 0.969 178.271 177.300 0.003 0.000 1.193 1225 P CA 0.566 63.663 63.100 -0.006 0.000 0.765 1225 P CB 0.354 32.064 31.700 0.016 0.000 0.823 1226 G N 1.126 109.918 108.800 -0.013 0.000 2.194 1226 G HA2 -0.184 3.777 3.960 0.002 0.000 0.236 1226 G HA3 -0.184 3.777 3.960 0.002 0.000 0.236 1226 G C -0.089 174.777 174.900 -0.058 0.000 0.987 1226 G CA -0.254 44.843 45.100 -0.005 0.000 0.635 1226 G HN 0.534 nan 8.290 nan 0.000 0.520 1227 V N 1.942 121.783 119.914 -0.121 0.000 2.370 1227 V HA 0.669 4.790 4.120 0.002 0.000 0.279 1227 V C 0.219 176.152 176.094 -0.268 0.000 1.029 1227 V CA 0.137 62.269 62.300 -0.280 0.000 0.870 1227 V CB 1.628 33.269 31.823 -0.303 0.000 0.984 1227 V HN 0.287 nan 8.190 nan 0.000 0.451 1228 T N 4.467 118.822 114.554 -0.332 0.000 2.809 1228 T HA 0.454 4.805 4.350 0.002 0.000 0.284 1228 T C -0.344 174.076 174.700 -0.466 0.000 0.992 1228 T CA -0.415 61.443 62.100 -0.404 0.000 0.957 1228 T CB 1.556 70.115 68.868 -0.514 0.000 0.942 1228 T HN 0.312 nan 8.240 nan 0.000 0.439 1229 V N 4.338 124.009 119.914 -0.404 0.000 2.368 1229 V HA 0.377 4.498 4.120 0.002 0.000 0.266 1229 V C -0.600 175.300 176.094 -0.323 0.000 1.045 1229 V CA -0.673 61.463 62.300 -0.274 0.000 0.899 1229 V CB -0.435 31.294 31.823 -0.157 0.000 1.006 1229 V HN 0.751 nan 8.190 nan 0.000 0.470 1230 F N 3.634 123.522 119.950 -0.104 0.000 2.350 1230 F HA 0.435 4.963 4.527 0.002 0.000 0.365 1230 F C 0.707 176.489 175.800 -0.030 0.000 1.122 1230 F CA -0.348 57.592 58.000 -0.099 0.000 1.139 1230 F CB 0.743 39.613 39.000 -0.217 0.000 1.220 1230 F HN 0.407 nan 8.300 nan 0.000 0.499 1231 C N 3.622 123.027 119.300 0.175 0.000 2.370 1231 C HA 0.591 5.052 4.460 0.002 0.000 0.354 1231 C C 0.605 175.666 174.990 0.117 0.000 1.218 1231 C CA -1.290 57.799 59.018 0.118 0.000 2.154 1231 C CB 0.853 28.648 27.740 0.092 0.000 2.391 1231 C HN 0.869 nan 8.230 nan 0.000 0.540 1232 R N 1.888 122.431 120.500 0.072 0.000 2.827 1232 R HA 0.237 4.578 4.340 0.002 0.000 0.269 1232 R C 0.223 176.563 176.300 0.066 0.000 1.048 1232 R CA -0.088 56.045 56.100 0.055 0.000 1.173 1232 R CB 0.357 30.671 30.300 0.023 0.000 1.070 1232 R HN 0.852 nan 8.270 nan 0.000 0.498 1233 E N 1.106 121.343 120.200 0.063 0.000 2.415 1233 E HA 0.009 4.360 4.350 0.002 0.000 0.262 1233 E C -0.696 175.941 176.600 0.061 0.000 1.038 1233 E CA -0.464 55.976 56.400 0.067 0.000 0.921 1233 E CB 0.839 30.576 29.700 0.061 0.000 0.950 1233 E HN 0.531 nan 8.360 nan 0.000 0.438 1234 S N 1.191 116.935 115.700 0.073 0.000 2.562 1234 S HA 0.131 4.602 4.470 0.002 0.000 0.275 1234 S C 0.589 175.237 174.600 0.080 0.000 1.281 1234 S CA -0.095 58.154 58.200 0.083 0.000 1.045 1234 S CB 0.936 64.200 63.200 0.106 0.000 0.962 1234 S HN 0.655 nan 8.310 nan 0.000 0.503 1235 T N 1.273 115.888 114.554 0.101 0.000 3.176 1235 T HA 0.280 4.631 4.350 0.002 0.000 0.263 1235 T C 0.113 174.866 174.700 0.087 0.000 1.021 1235 T CA -0.388 61.773 62.100 0.103 0.000 0.905 1235 T CB -0.504 68.446 68.868 0.137 0.000 1.057 1235 T HN 0.354 nan 8.240 nan 0.000 0.558 1236 V N 2.910 122.866 119.914 0.071 0.000 2.599 1236 V HA 0.207 4.328 4.120 0.002 0.000 0.300 1236 V C 0.567 176.618 176.094 -0.072 0.000 1.034 1236 V CA -0.461 61.834 62.300 -0.007 0.000 1.115 1236 V CB 0.099 31.947 31.823 0.041 0.000 0.934 1236 V HN 0.375 nan 8.190 nan 0.000 0.485 1237 K N 4.126 124.423 120.400 -0.172 0.000 2.118 1237 K HA 0.227 4.548 4.320 0.002 0.000 0.264 1237 K C 1.011 177.563 176.600 -0.080 0.000 1.000 1237 K CA -0.406 55.775 56.287 -0.177 0.000 0.929 1237 K CB 0.845 33.142 32.500 -0.338 0.000 1.021 1237 K HN 0.790 nan 8.250 nan 0.000 0.463 1238 N N -0.097 118.581 118.700 -0.036 0.000 2.402 1238 N HA -0.095 4.646 4.740 0.002 0.000 0.174 1238 N C -0.322 175.193 175.510 0.008 0.000 1.027 1238 N CA 0.489 53.535 53.050 -0.006 0.000 0.891 1238 N CB 0.103 38.591 38.487 0.002 0.000 1.016 1238 N HN 0.410 nan 8.380 nan 0.000 0.439 1239 D N 0.846 121.270 120.400 0.041 0.000 2.427 1239 D HA 0.351 4.992 4.640 0.002 0.000 0.226 1239 D C -1.987 174.330 176.300 0.028 0.000 1.076 1239 D CA -2.380 51.642 54.000 0.036 0.000 0.849 1239 D CB 1.943 42.770 40.800 0.044 0.000 1.052 1239 D HN -0.063 nan 8.370 nan 0.000 0.515 1240 P HA 0.011 nan 4.420 nan 0.000 0.223 1240 P C 0.815 178.079 177.300 -0.060 0.000 1.151 1240 P CA 0.566 63.646 63.100 -0.034 0.000 0.787 1240 P CB 0.368 32.048 31.700 -0.034 0.000 0.788 1241 A N -0.093 122.688 122.820 -0.064 0.000 2.016 1241 A HA -0.111 4.210 4.320 0.002 0.000 0.217 1241 A C 1.980 179.476 177.584 -0.147 0.000 1.162 1241 A CA 1.268 53.247 52.037 -0.096 0.000 0.662 1241 A CB -0.539 18.414 19.000 -0.080 0.000 0.812 1241 A HN 0.042 nan 8.150 nan 0.000 0.450 1242 E N -0.642 119.456 120.200 -0.169 0.000 2.307 1242 E HA 0.064 4.415 4.350 0.002 0.000 0.195 1242 E C -0.376 175.886 176.600 -0.564 0.000 0.975 1242 E CA 0.554 56.749 56.400 -0.341 0.000 0.878 1242 E CB -0.041 29.459 29.700 -0.334 0.000 0.845 1242 E HN 0.798 nan 8.360 nan 0.000 0.488 1243 H N 0.164 119.171 119.070 -0.104 0.000 2.569 1243 H HA 0.196 4.753 4.556 0.002 0.000 0.247 1243 H C -1.944 173.279 175.328 -0.173 0.000 1.346 1243 H CA -1.571 54.393 56.048 -0.140 0.000 1.502 1243 H CB 1.449 31.119 29.762 -0.154 0.000 1.512 1243 H HN -0.073 nan 8.280 nan 0.000 0.502 1244 P HA -0.131 nan 4.420 nan 0.000 0.218 1244 P C 0.862 178.075 177.300 -0.145 0.000 1.149 1244 P CA 1.070 64.110 63.100 -0.101 0.000 0.817 1244 P CB 0.695 32.340 31.700 -0.091 0.000 0.785 1245 L N -1.559 119.530 121.223 -0.224 0.000 2.347 1245 L HA 0.211 4.552 4.340 0.002 0.000 0.196 1245 L C 2.404 178.707 176.870 -0.946 0.000 1.072 1245 L CA 0.893 55.487 54.840 -0.410 0.000 0.817 1245 L CB -1.116 40.784 42.059 -0.266 0.000 1.029 1245 L HN -0.172 nan 8.230 nan 0.000 0.478 1246 A N 0.316 122.508 122.820 -1.046 0.000 2.125 1246 A HA -0.152 4.169 4.320 0.002 0.000 0.219 1246 A C 2.309 179.409 177.584 -0.808 0.000 1.156 1246 A CA 1.657 52.833 52.037 -1.436 0.000 0.671 1246 A CB -0.519 18.048 19.000 -0.721 0.000 0.794 1246 A HN 0.509 nan 8.150 nan 0.000 0.459 1247 S N -0.983 114.456 115.700 -0.434 0.000 2.562 1247 S HA -0.024 4.447 4.470 0.002 0.000 0.221 1247 S C 1.467 175.979 174.600 -0.146 0.000 0.975 1247 S CA 0.550 58.620 58.200 -0.218 0.000 0.918 1247 S CB -0.203 62.934 63.200 -0.105 0.000 0.772 1247 S HN 0.691 nan 8.310 nan 0.000 0.531 1248 Q N 0.983 120.676 119.800 -0.179 0.000 2.389 1248 Q HA 0.358 4.699 4.340 0.002 0.000 0.204 1248 Q C 0.743 176.834 176.000 0.151 0.000 0.944 1248 Q CA 0.415 56.224 55.803 0.009 0.000 0.908 1248 Q CB 0.313 29.084 28.738 0.055 0.000 1.002 1248 Q HN 0.724 nan 8.270 nan 0.000 0.493 1249 G N 1.198 110.093 108.800 0.159 0.000 2.307 1249 G HA2 -0.030 3.931 3.960 0.002 0.000 0.348 1249 G HA3 -0.030 3.931 3.960 0.002 0.000 0.348 1249 G C -2.225 172.942 174.900 0.445 0.000 1.603 1249 G CA -0.948 44.314 45.100 0.269 0.000 0.961 1249 G HN -0.012 nan 8.290 nan 0.000 0.686 1250 D N 0.418 120.977 120.400 0.265 0.000 2.349 1250 D HA 0.381 5.022 4.640 0.002 0.000 0.232 1250 D C 0.207 176.309 176.300 -0.329 0.000 1.071 1250 D CA -0.446 53.668 54.000 0.191 0.000 0.832 1250 D CB 1.559 42.469 40.800 0.184 0.000 1.086 1250 D HN 0.444 nan 8.370 nan 0.000 0.504 1251 E N 4.933 124.788 120.200 -0.574 0.000 1.795 1251 E HA 0.104 4.455 4.350 0.002 0.000 0.261 1251 E C 0.069 176.290 176.600 -0.631 0.000 1.238 1251 E CA -0.328 55.363 56.400 -1.182 0.000 1.001 1251 E CB 0.059 29.264 29.700 -0.825 0.000 1.065 1251 E HN 0.509 nan 8.360 nan 0.000 0.418 1252 L N 3.310 124.275 121.223 -0.431 0.000 2.483 1252 L HA 0.081 4.422 4.340 0.002 0.000 0.275 1252 L C 0.498 177.321 176.870 -0.078 0.000 1.220 1252 L CA 0.401 55.173 54.840 -0.113 0.000 0.833 1252 L CB 0.368 42.492 42.059 0.109 0.000 1.102 1252 L HN 0.469 nan 8.230 nan 0.000 0.490 1253 D N 0.756 121.134 120.400 -0.037 0.000 2.342 1253 D HA 0.508 5.149 4.640 0.002 0.000 0.243 1253 D C -0.929 175.389 176.300 0.029 0.000 1.019 1253 D CA -0.274 53.724 54.000 -0.002 0.000 0.864 1253 D CB 2.205 42.990 40.800 -0.025 0.000 1.315 1253 D HN 0.422 nan 8.370 nan 0.000 0.468 1254 S N -0.212 115.516 115.700 0.046 0.000 2.599 1254 S HA 0.628 5.099 4.470 0.002 0.000 0.287 1254 S C -0.345 174.290 174.600 0.058 0.000 1.105 1254 S CA -0.913 57.322 58.200 0.060 0.000 0.899 1254 S CB 2.001 65.240 63.200 0.063 0.000 1.100 1254 S HN 0.511 nan 8.310 nan 0.000 0.482 1255 T N -0.410 114.189 114.554 0.075 0.000 2.770 1255 T HA 0.629 4.980 4.350 0.002 0.000 0.283 1255 T C -0.582 174.171 174.700 0.088 0.000 0.988 1255 T CA -0.565 61.581 62.100 0.076 0.000 0.957 1255 T CB 0.769 69.665 68.868 0.047 0.000 0.930 1255 T HN 0.399 nan 8.240 nan 0.000 0.443 1256 T N 3.540 118.125 114.554 0.052 0.000 2.767 1256 T HA 0.554 4.905 4.350 0.002 0.000 0.284 1256 T C 0.412 175.038 174.700 -0.124 0.000 0.973 1256 T CA -0.745 61.299 62.100 -0.093 0.000 0.996 1256 T CB 1.005 69.769 68.868 -0.172 0.000 0.927 1256 T HN 0.919 nan 8.240 nan 0.000 0.456 1257 V N 0.845 120.650 119.914 -0.181 0.000 2.435 1257 V HA 0.732 4.853 4.120 0.002 0.000 0.290 1257 V C -1.055 174.867 176.094 -0.287 0.000 1.030 1257 V CA -1.027 61.225 62.300 -0.079 0.000 0.881 1257 V CB 0.558 32.424 31.823 0.072 0.000 0.983 1257 V HN 0.689 nan 8.190 nan 0.000 0.445 1258 F N 2.964 122.916 119.950 0.004 0.000 2.311 1258 F HA 0.466 4.994 4.527 0.002 0.000 0.371 1258 F C 0.423 176.218 175.800 -0.008 0.000 1.083 1258 F CA -0.664 57.328 58.000 -0.012 0.000 1.113 1258 F CB 0.954 39.936 39.000 -0.029 0.000 1.349 1258 F HN 0.501 nan 8.300 nan 0.000 0.470 1259 D N 4.744 125.207 120.400 0.105 0.000 2.453 1259 D HA 0.043 4.684 4.640 0.002 0.000 0.223 1259 D C 0.001 176.345 176.300 0.074 0.000 1.183 1259 D CA 0.133 54.177 54.000 0.074 0.000 0.933 1259 D CB 0.133 40.958 40.800 0.042 0.000 1.038 1259 D HN 0.438 nan 8.370 nan 0.000 0.513 1260 N N 0.888 119.636 118.700 0.079 0.000 2.688 1260 N HA -0.179 4.562 4.740 0.002 0.000 0.258 1260 N C 0.077 175.636 175.510 0.081 0.000 1.016 1260 N CA 0.408 53.496 53.050 0.063 0.000 0.747 1260 N CB -1.098 37.414 38.487 0.041 0.000 0.895 1260 N HN 0.352 nan 8.380 nan 0.000 0.543 1261 V N -1.003 118.976 119.914 0.109 0.000 2.686 1261 V HA 0.614 4.735 4.120 0.002 0.000 0.295 1261 V C 0.238 176.394 176.094 0.103 0.000 1.057 1261 V CA -0.862 61.508 62.300 0.116 0.000 1.012 1261 V CB 1.346 33.265 31.823 0.160 0.000 1.006 1261 V HN 0.209 nan 8.190 nan 0.000 0.477 1262 F N 6.099 126.023 119.950 -0.043 0.000 2.404 1262 F HA 0.695 5.224 4.527 0.002 0.000 0.354 1262 F C -0.310 175.423 175.800 -0.112 0.000 1.122 1262 F CA -0.900 57.046 58.000 -0.090 0.000 1.080 1262 F CB 0.789 39.742 39.000 -0.079 0.000 1.131 1262 F HN 0.520 nan 8.300 nan 0.000 0.471 1263 I N 8.505 128.564 120.570 -0.852 0.000 2.321 1263 I HA 0.322 4.493 4.170 0.002 0.000 0.291 1263 I C -2.244 173.110 176.117 -1.272 0.000 0.998 1263 I CA -2.302 58.473 61.300 -0.876 0.000 1.227 1263 I CB 1.277 38.964 38.000 -0.523 0.000 1.368 1263 I HN 0.456 nan 8.210 nan 0.000 0.466 1264 P HA -0.018 nan 4.420 nan 0.000 0.268 1264 P C 0.144 177.236 177.300 -0.348 0.000 1.205 1264 P CA -0.002 62.720 63.100 -0.631 0.000 0.771 1264 P CB 0.458 32.024 31.700 -0.223 0.000 0.858 1265 W N 1.859 123.082 121.300 -0.129 0.000 2.325 1265 W HA -0.191 4.470 4.660 0.002 0.000 0.299 1265 W C 2.000 178.468 176.519 -0.085 0.000 1.215 1265 W CA 0.912 58.206 57.345 -0.085 0.000 1.244 1265 W CB -0.396 29.055 29.460 -0.015 0.000 1.140 1265 W HN 0.436 nan 8.180 nan 0.000 0.523 1266 E N 0.701 120.999 120.200 0.163 0.000 2.505 1266 E HA -0.150 4.201 4.350 0.002 0.000 0.197 1266 E C 0.837 177.444 176.600 0.012 0.000 1.111 1266 E CA 0.901 57.364 56.400 0.105 0.000 0.887 1266 E CB -0.418 29.348 29.700 0.109 0.000 0.913 1266 E HN 0.519 nan 8.360 nan 0.000 0.517 1267 Q N 0.043 119.774 119.800 -0.116 0.000 2.140 1267 Q HA 0.216 4.557 4.340 0.002 0.000 0.227 1267 Q C -0.348 175.279 176.000 -0.622 0.000 0.798 1267 Q CA -0.123 55.491 55.803 -0.315 0.000 0.987 1267 Q CB 1.861 30.438 28.738 -0.268 0.000 1.161 1267 Q HN 0.033 nan 8.270 nan 0.000 0.480 1268 V N 1.369 121.061 119.914 -0.370 0.000 2.509 1268 V HA 0.183 4.304 4.120 0.002 0.000 0.284 1268 V C 0.072 176.054 176.094 -0.187 0.000 1.047 1268 V CA 0.039 62.153 62.300 -0.310 0.000 0.952 1268 V CB 0.788 32.614 31.823 0.004 0.000 0.988 1268 V HN 0.191 nan 8.190 nan 0.000 0.469 1269 F N 1.684 121.715 119.950 0.136 0.000 2.602 1269 F HA 0.356 4.884 4.527 0.002 0.000 0.284 1269 F C 0.765 176.806 175.800 0.401 0.000 1.111 1269 F CA -0.019 58.059 58.000 0.131 0.000 1.405 1269 F CB -0.133 38.790 39.000 -0.128 0.000 1.121 1269 F HN 0.677 nan 8.300 nan 0.000 0.603 1270 H N -0.595 118.787 119.070 0.520 0.000 3.081 1270 H HA 0.577 5.134 4.556 0.002 0.000 0.322 1270 H C -1.444 174.156 175.328 0.453 0.000 1.266 1270 H CA -1.376 54.967 56.048 0.491 0.000 1.279 1270 H CB 1.677 31.808 29.762 0.615 0.000 1.954 1270 H HN -0.034 nan 8.280 nan 0.000 0.530 1271 I N 0.885 121.269 120.570 -0.310 0.000 2.913 1271 I HA 0.697 4.868 4.170 0.002 0.000 0.302 1271 I C 0.595 176.561 176.117 -0.252 0.000 1.246 1271 I CA -0.386 60.865 61.300 -0.081 0.000 1.010 1271 I CB 2.140 40.164 38.000 0.040 0.000 1.259 1271 I HN 0.944 nan 8.210 nan 0.000 0.434 1272 G N 3.572 112.394 108.800 0.037 0.000 2.241 1272 G HA2 -0.299 3.662 3.960 0.002 0.000 0.244 1272 G HA3 -0.299 3.662 3.960 0.002 0.000 0.244 1272 G C -0.002 174.984 174.900 0.144 0.000 0.998 1272 G CA 0.487 45.623 45.100 0.060 0.000 0.621 1272 G HN 0.990 nan 8.290 nan 0.000 0.519 1273 N N 1.058 119.941 118.700 0.305 0.000 2.511 1273 N HA 0.543 5.284 4.740 0.002 0.000 0.249 1273 N C -1.532 174.194 175.510 0.360 0.000 0.971 1273 N CA -1.967 51.276 53.050 0.322 0.000 0.938 1273 N CB 1.838 40.520 38.487 0.325 0.000 1.131 1273 N HN -0.031 nan 8.380 nan 0.000 0.505 1274 P HA -0.094 nan 4.420 nan 0.000 0.221 1274 P C 0.736 178.131 177.300 0.158 0.000 1.150 1274 P CA 0.796 64.069 63.100 0.287 0.000 0.800 1274 P CB 0.365 32.244 31.700 0.299 0.000 0.787 1275 E N -1.442 118.806 120.200 0.081 0.000 2.150 1275 E HA -0.198 4.153 4.350 0.002 0.000 0.193 1275 E C 1.920 178.520 176.600 0.001 0.000 0.985 1275 E CA 0.928 57.311 56.400 -0.028 0.000 0.814 1275 E CB -0.746 28.953 29.700 -0.003 0.000 0.752 1275 E HN 0.508 nan 8.360 nan 0.000 0.466 1276 H N -0.241 118.794 119.070 -0.059 0.000 2.462 1276 H HA 0.104 4.661 4.556 0.002 0.000 0.292 1276 H C 1.407 176.658 175.328 -0.129 0.000 1.049 1276 H CA 0.962 56.893 56.048 -0.196 0.000 1.334 1276 H CB 0.415 29.926 29.762 -0.418 0.000 1.404 1276 H HN 0.075 nan 8.280 nan 0.000 0.544 1277 A N 0.754 123.597 122.820 0.039 0.000 2.235 1277 A HA -0.014 4.307 4.320 0.002 0.000 0.208 1277 A C 2.096 179.762 177.584 0.136 0.000 1.172 1277 A CA 0.202 52.344 52.037 0.175 0.000 0.786 1277 A CB -0.189 19.035 19.000 0.373 0.000 0.804 1277 A HN 0.351 nan 8.150 nan 0.000 0.479 1278 K N -0.597 119.780 120.400 -0.038 0.000 2.020 1278 K HA 0.159 4.480 4.320 0.002 0.000 0.206 1278 K C 1.386 177.949 176.600 -0.061 0.000 1.038 1278 K CA 1.113 57.334 56.287 -0.110 0.000 0.947 1278 K CB -0.158 32.172 32.500 -0.284 0.000 0.744 1278 K HN 0.425 nan 8.250 nan 0.000 0.442 1279 L N -0.802 120.355 121.223 -0.111 0.000 2.470 1279 L HA 0.064 4.405 4.340 0.002 0.000 0.219 1279 L C 1.953 178.675 176.870 -0.247 0.000 1.071 1279 L CA 0.292 55.023 54.840 -0.182 0.000 0.850 1279 L CB -0.006 41.891 42.059 -0.271 0.000 1.040 1279 L HN 0.145 nan 8.230 nan 0.000 0.475 1280 Y N 0.615 120.730 120.300 -0.307 0.000 2.263 1280 Y HA -0.044 4.507 4.550 0.002 0.000 0.292 1280 Y C -0.368 175.515 175.900 -0.028 0.000 1.130 1280 Y CA 0.958 58.855 58.100 -0.338 0.000 1.179 1280 Y CB -1.460 36.390 38.460 -1.017 0.000 0.998 1280 Y HN 0.172 nan 8.280 nan 0.000 0.532 1281 P HA -0.140 nan 4.420 nan 0.000 0.221 1281 P C 1.123 178.623 177.300 0.333 0.000 1.150 1281 P CA 1.518 64.894 63.100 0.460 0.000 0.800 1281 P CB 0.028 32.055 31.700 0.545 0.000 0.787 1282 Q N -0.660 119.240 119.800 0.166 0.000 2.119 1282 Q HA -0.129 4.212 4.340 0.002 0.000 0.201 1282 Q C 2.261 178.332 176.000 0.118 0.000 0.972 1282 Q CA 1.309 57.184 55.803 0.119 0.000 0.847 1282 Q CB -0.229 28.524 28.738 0.025 0.000 0.903 1282 Q HN 0.207 nan 8.270 nan 0.000 0.433 1283 R N 0.089 120.623 120.500 0.057 0.000 2.092 1283 R HA -0.054 4.287 4.340 0.002 0.000 0.231 1283 R C 2.235 178.584 176.300 0.082 0.000 1.119 1283 R CA 0.740 56.866 56.100 0.044 0.000 0.970 1283 R CB -0.070 30.219 30.300 -0.019 0.000 0.864 1283 R HN 0.217 nan 8.270 nan 0.000 0.440 1284 I N -0.143 120.493 120.570 0.110 0.000 2.194 1284 I HA -0.295 3.876 4.170 0.002 0.000 0.246 1284 I C 1.540 177.578 176.117 -0.131 0.000 1.093 1284 I CA 1.783 63.078 61.300 -0.008 0.000 1.355 1284 I CB -0.518 37.485 38.000 0.005 0.000 1.046 1284 I HN 0.132 nan 8.210 nan 0.000 0.413 1285 F N 0.907 120.759 119.950 -0.164 0.000 2.789 1285 F HA -0.033 4.495 4.527 0.002 0.000 0.300 1285 F C 1.993 177.561 175.800 -0.387 0.000 1.132 1285 F CA 0.219 58.008 58.000 -0.350 0.000 1.404 1285 F CB -0.308 38.430 39.000 -0.437 0.000 1.114 1285 F HN 0.058 nan 8.300 nan 0.000 0.584 1286 D N -0.147 120.259 120.400 0.010 0.000 2.108 1286 D HA -0.254 4.387 4.640 0.002 0.000 0.190 1286 D C 1.971 178.253 176.300 -0.030 0.000 0.995 1286 D CA 1.727 55.753 54.000 0.044 0.000 0.834 1286 D CB -0.569 40.176 40.800 -0.092 0.000 0.967 1286 D HN 0.326 nan 8.370 nan 0.000 0.446 1287 W N 0.788 122.118 121.300 0.051 0.000 2.392 1287 W HA -0.103 4.558 4.660 0.001 0.000 0.279 1287 W C 2.430 178.965 176.519 0.026 0.000 1.225 1287 W CA 0.221 57.615 57.345 0.081 0.000 1.233 1287 W CB -0.428 29.159 29.460 0.210 0.000 1.122 1287 W HN -0.145 nan 8.180 nan 0.000 0.561 1288 V N -0.435 119.548 119.914 0.114 0.000 2.307 1288 V HA -0.337 3.784 4.120 0.002 0.000 0.245 1288 V C 2.243 178.400 176.094 0.105 0.000 1.045 1288 V CA 1.952 64.265 62.300 0.022 0.000 1.024 1288 V CB -1.259 30.474 31.823 -0.149 0.000 0.651 1288 V HN 0.187 nan 8.190 nan 0.000 0.449 1289 H N -0.960 118.188 119.070 0.130 0.000 2.352 1289 H HA -0.209 4.348 4.556 0.002 0.000 0.299 1289 H C 2.133 177.391 175.328 -0.117 0.000 1.097 1289 H CA 2.123 58.228 56.048 0.094 0.000 1.311 1289 H CB -0.675 29.255 29.762 0.280 0.000 1.377 1289 H HN 0.631 nan 8.280 nan 0.000 0.504 1290 Y N 0.731 120.798 120.300 -0.389 0.000 2.181 1290 Y HA -0.261 4.290 4.550 0.001 0.000 0.288 1290 Y C 3.071 178.850 175.900 -0.202 0.000 1.146 1290 Y CA 1.826 59.567 58.100 -0.599 0.000 1.164 1290 Y CB -0.193 37.898 38.460 -0.615 0.000 0.982 1290 Y HN 0.270 nan 8.280 nan 0.000 0.515 1291 H N 0.586 119.493 119.070 -0.272 0.000 2.353 1291 H HA -0.181 4.376 4.556 0.002 0.000 0.300 1291 H C 2.181 177.338 175.328 -0.284 0.000 1.090 1291 H CA 2.234 58.059 56.048 -0.372 0.000 1.327 1291 H CB -0.248 29.335 29.762 -0.298 0.000 1.383 1291 H HN 0.474 nan 8.280 nan 0.000 0.508 1292 I N 0.733 121.269 120.570 -0.056 0.000 2.151 1292 I HA -0.314 3.857 4.170 0.002 0.000 0.243 1292 I C 2.940 178.922 176.117 -0.225 0.000 1.080 1292 I CA 0.864 62.118 61.300 -0.076 0.000 1.339 1292 I CB -0.338 37.681 38.000 0.032 0.000 1.039 1292 I HN 0.289 nan 8.210 nan 0.000 0.409 1293 L N 0.797 121.886 121.223 -0.223 0.000 2.012 1293 L HA -0.251 4.090 4.340 0.002 0.000 0.210 1293 L C 2.594 179.281 176.870 -0.305 0.000 1.073 1293 L CA 1.889 56.594 54.840 -0.225 0.000 0.748 1293 L CB -0.250 41.736 42.059 -0.122 0.000 0.891 1293 L HN 0.219 nan 8.230 nan 0.000 0.431 1294 I N -0.502 119.804 120.570 -0.440 0.000 2.194 1294 I HA -0.381 3.790 4.170 0.002 0.000 0.246 1294 I C 2.760 178.671 176.117 -0.344 0.000 1.093 1294 I CA 1.388 62.436 61.300 -0.421 0.000 1.355 1294 I CB -0.370 37.290 38.000 -0.567 0.000 1.046 1294 I HN 0.296 nan 8.210 nan 0.000 0.413 1295 R N 0.456 120.715 120.500 -0.401 0.000 2.090 1295 R HA -0.154 4.187 4.340 0.002 0.000 0.228 1295 R C 2.300 178.441 176.300 -0.266 0.000 1.110 1295 R CA 1.219 57.138 56.100 -0.300 0.000 0.973 1295 R CB -0.006 30.137 30.300 -0.260 0.000 0.869 1295 R HN 0.452 nan 8.270 nan 0.000 0.440 1296 Q N -0.549 119.018 119.800 -0.387 0.000 2.172 1296 Q HA -0.085 4.256 4.340 0.002 0.000 0.200 1296 Q C 2.022 177.860 176.000 -0.270 0.000 0.964 1296 Q CA 1.258 56.674 55.803 -0.646 0.000 0.855 1296 Q CB 0.267 28.390 28.738 -1.025 0.000 0.918 1296 Q HN 0.187 nan 8.270 nan 0.000 0.444 1297 V N 1.020 120.834 119.914 -0.166 0.000 2.427 1297 V HA -0.225 3.896 4.120 0.002 0.000 0.248 1297 V C 2.113 178.263 176.094 0.093 0.000 1.051 1297 V CA 1.319 63.601 62.300 -0.030 0.000 1.048 1297 V CB -0.406 31.374 31.823 -0.072 0.000 0.666 1297 V HN 0.354 nan 8.190 nan 0.000 0.456 1298 L N -0.302 120.927 121.223 0.010 0.000 2.027 1298 L HA -0.164 4.177 4.340 0.002 0.000 0.206 1298 L C 2.768 179.686 176.870 0.079 0.000 1.074 1298 L CA 1.581 56.441 54.840 0.033 0.000 0.745 1298 L CB -0.585 41.455 42.059 -0.031 0.000 0.898 1298 L HN 0.274 nan 8.230 nan 0.000 0.433 1299 R N 0.885 121.442 120.500 0.094 0.000 2.081 1299 R HA -0.125 4.216 4.340 0.002 0.000 0.235 1299 R C 2.161 178.650 176.300 0.314 0.000 1.131 1299 R CA 1.767 57.986 56.100 0.200 0.000 0.960 1299 R CB -0.741 29.710 30.300 0.253 0.000 0.856 1299 R HN 0.309 nan 8.270 nan 0.000 0.436 1300 A N 0.489 123.545 122.820 0.392 0.000 1.933 1300 A HA -0.184 4.137 4.320 0.002 0.000 0.218 1300 A C 2.141 179.886 177.584 0.268 0.000 1.175 1300 A CA 1.693 53.998 52.037 0.446 0.000 0.628 1300 A CB -0.631 18.595 19.000 0.377 0.000 0.814 1300 A HN 0.611 nan 8.150 nan 0.000 0.444 1301 E N -0.515 119.778 120.200 0.156 0.000 2.072 1301 E HA -0.191 4.160 4.350 0.002 0.000 0.191 1301 E C 1.934 178.516 176.600 -0.031 0.000 0.985 1301 E CA 1.311 57.623 56.400 -0.147 0.000 0.801 1301 E CB -0.208 29.395 29.700 -0.162 0.000 0.750 1301 E HN 0.434 nan 8.360 nan 0.000 0.452 1302 L N 1.325 122.580 121.223 0.054 0.000 2.012 1302 L HA -0.177 4.164 4.340 0.002 0.000 0.210 1302 L C 2.178 179.106 176.870 0.097 0.000 1.073 1302 L CA 1.630 56.511 54.840 0.068 0.000 0.748 1302 L CB -0.426 41.688 42.059 0.091 0.000 0.891 1302 L HN 0.243 nan 8.230 nan 0.000 0.431 1303 I N -1.655 119.008 120.570 0.155 0.000 2.226 1303 I HA -0.294 3.877 4.170 0.002 0.000 0.245 1303 I C 2.330 178.507 176.117 0.101 0.000 1.100 1303 I CA 1.211 62.609 61.300 0.163 0.000 1.374 1303 I CB -0.386 37.742 38.000 0.213 0.000 1.057 1303 I HN 0.104 nan 8.210 nan 0.000 0.413 1304 V N 1.057 121.021 119.914 0.084 0.000 2.287 1304 V HA -0.245 3.876 4.120 0.002 0.000 0.248 1304 V C 2.618 178.728 176.094 0.026 0.000 1.053 1304 V CA 2.253 64.581 62.300 0.047 0.000 1.027 1304 V CB -1.504 30.325 31.823 0.009 0.000 0.646 1304 V HN 0.583 nan 8.190 nan 0.000 0.447 1305 G N -0.027 108.781 108.800 0.013 0.000 2.446 1305 G HA2 -0.231 3.730 3.960 0.002 0.000 0.217 1305 G HA3 -0.231 3.730 3.960 0.002 0.000 0.217 1305 G C 1.568 176.484 174.900 0.027 0.000 1.168 1305 G CA 1.164 46.271 45.100 0.012 0.000 0.771 1305 G HN 0.476 nan 8.290 nan 0.000 0.551 1306 L N 0.693 121.942 121.223 0.043 0.000 2.046 1306 L HA -0.080 4.261 4.340 0.002 0.000 0.208 1306 L C 3.419 180.310 176.870 0.035 0.000 1.077 1306 L CA 1.093 55.960 54.840 0.045 0.000 0.747 1306 L CB -0.532 41.573 42.059 0.075 0.000 0.896 1306 L HN 0.309 nan 8.230 nan 0.000 0.432 1307 A N 0.346 123.186 122.820 0.033 0.000 1.902 1307 A HA -0.163 4.158 4.320 0.002 0.000 0.217 1307 A C 2.240 179.837 177.584 0.022 0.000 1.181 1307 A CA 1.488 53.537 52.037 0.020 0.000 0.623 1307 A CB -0.613 18.396 19.000 0.014 0.000 0.818 1307 A HN 0.338 nan 8.150 nan 0.000 0.443 1308 I N -0.401 120.184 120.570 0.025 0.000 2.142 1308 I HA -0.266 3.905 4.170 0.002 0.000 0.240 1308 I C 2.457 178.594 176.117 0.034 0.000 1.078 1308 I CA 1.187 62.503 61.300 0.026 0.000 1.343 1308 I CB -0.387 37.626 38.000 0.021 0.000 1.046 1308 I HN 0.304 nan 8.210 nan 0.000 0.405 1309 L N -0.020 121.224 121.223 0.034 0.000 1.989 1309 L HA -0.256 4.085 4.340 0.002 0.000 0.211 1309 L C 2.619 179.527 176.870 0.063 0.000 1.071 1309 L CA 1.352 56.219 54.840 0.045 0.000 0.749 1309 L CB -0.528 41.548 42.059 0.028 0.000 0.890 1309 L HN 0.238 nan 8.230 nan 0.000 0.431 1310 I N -0.696 119.900 120.570 0.043 0.000 2.315 1310 I HA -0.259 3.912 4.170 0.002 0.000 0.248 1310 I C 2.511 178.671 176.117 0.073 0.000 1.117 1310 I CA 1.670 62.998 61.300 0.047 0.000 1.404 1310 I CB -0.282 37.730 38.000 0.019 0.000 1.071 1310 I HN 0.132 nan 8.210 nan 0.000 0.419 1311 T N -0.382 114.203 114.554 0.051 0.000 2.867 1311 T HA -0.129 4.222 4.350 0.002 0.000 0.268 1311 T C 1.797 176.529 174.700 0.053 0.000 1.057 1311 T CA 1.494 63.619 62.100 0.042 0.000 1.136 1311 T CB -0.100 68.783 68.868 0.024 0.000 0.874 1311 T HN 0.447 nan 8.240 nan 0.000 0.466 1312 E N -0.652 119.586 120.200 0.062 0.000 2.112 1312 E HA -0.102 4.249 4.350 0.002 0.000 0.190 1312 E C 1.939 178.582 176.600 0.071 0.000 0.979 1312 E CA 0.849 57.282 56.400 0.055 0.000 0.814 1312 E CB -0.117 29.612 29.700 0.049 0.000 0.762 1312 E HN 0.634 nan 8.360 nan 0.000 0.460 1313 H N 0.413 119.494 119.070 0.018 0.000 2.423 1313 H HA 0.009 4.566 4.556 0.002 0.000 0.297 1313 H C 1.871 177.217 175.328 0.030 0.000 1.075 1313 H CA 1.220 57.283 56.048 0.025 0.000 1.342 1313 H CB 0.158 29.935 29.762 0.025 0.000 1.395 1313 H HN 0.058 nan 8.280 nan 0.000 0.530 1314 I N -0.656 120.019 120.570 0.176 0.000 2.761 1314 I HA -0.002 4.169 4.170 0.002 0.000 0.261 1314 I C 1.577 177.721 176.117 0.045 0.000 1.198 1314 I CA 0.850 62.220 61.300 0.117 0.000 1.482 1314 I CB 0.099 38.159 38.000 0.099 0.000 1.100 1314 I HN 0.604 nan 8.210 nan 0.000 0.445 1315 G N 0.947 109.764 108.800 0.028 0.000 2.149 1315 G HA2 -0.274 3.687 3.960 0.002 0.000 0.235 1315 G HA3 -0.274 3.687 3.960 0.002 0.000 0.235 1315 G C 0.820 175.729 174.900 0.015 0.000 1.018 1315 G CA 0.547 45.653 45.100 0.009 0.000 0.728 1315 G HN 0.298 nan 8.290 nan 0.000 0.508 1316 T N -0.054 114.513 114.554 0.022 0.000 3.069 1316 T HA 0.297 4.648 4.350 0.002 0.000 0.252 1316 T C 2.458 177.167 174.700 0.014 0.000 1.053 1316 T CA 1.534 63.644 62.100 0.017 0.000 0.964 1316 T CB -0.278 68.600 68.868 0.017 0.000 1.005 1316 T HN 1.018 nan 8.240 nan 0.000 0.532 1317 S N 0.704 116.414 115.700 0.016 0.000 2.453 1317 S HA 0.035 4.506 4.470 0.002 0.000 0.231 1317 S C 1.863 176.471 174.600 0.012 0.000 1.005 1317 S CA 0.382 58.591 58.200 0.015 0.000 0.949 1317 S CB -0.198 63.014 63.200 0.019 0.000 0.774 1317 S HN 0.287 nan 8.310 nan 0.000 0.510 1318 K N 1.035 121.441 120.400 0.010 0.000 2.305 1318 K HA 0.293 4.614 4.320 0.002 0.000 0.199 1318 K C 0.561 177.166 176.600 0.008 0.000 1.047 1318 K CA -0.057 56.235 56.287 0.009 0.000 0.976 1318 K CB -0.480 32.024 32.500 0.007 0.000 0.765 1318 K HN 0.461 nan 8.250 nan 0.000 0.474 1319 L N 2.986 124.214 121.223 0.008 0.000 2.559 1319 L HA -0.024 4.317 4.340 0.002 0.000 0.274 1319 L C -1.284 175.591 176.870 0.007 0.000 1.205 1319 L CA -1.036 53.808 54.840 0.007 0.000 0.907 1319 L CB 0.082 42.144 42.059 0.006 0.000 1.153 1319 L HN -0.102 nan 8.230 nan 0.000 0.490 1320 P HA -0.191 nan 4.420 nan 0.000 0.216 1320 P C 1.611 178.916 177.300 0.008 0.000 1.153 1320 P CA 1.602 64.707 63.100 0.008 0.000 0.858 1320 P CB 0.022 31.726 31.700 0.007 0.000 0.789 1321 T N -3.522 111.035 114.554 0.006 0.000 2.867 1321 T HA -0.085 4.266 4.350 0.002 0.000 0.268 1321 T C 1.805 176.507 174.700 0.003 0.000 1.057 1321 T CA 1.164 63.267 62.100 0.005 0.000 1.136 1321 T CB -1.382 67.488 68.868 0.004 0.000 0.874 1321 T HN -0.107 nan 8.240 nan 0.000 0.466 1322 V N 2.560 122.476 119.914 0.003 0.000 2.346 1322 V HA -0.103 4.018 4.120 0.002 0.000 0.244 1322 V C 3.185 179.282 176.094 0.005 0.000 1.037 1322 V CA 1.828 64.128 62.300 -0.000 0.000 1.029 1322 V CB -0.742 31.081 31.823 0.001 0.000 0.663 1322 V HN 0.762 nan 8.190 nan 0.000 0.454 1323 S N 1.212 116.918 115.700 0.009 0.000 2.419 1323 S HA -0.126 4.345 4.470 0.002 0.000 0.233 1323 S C 2.060 176.670 174.600 0.017 0.000 1.016 1323 S CA 1.278 59.486 58.200 0.014 0.000 0.974 1323 S CB -0.481 62.727 63.200 0.014 0.000 0.786 1323 S HN 0.542 nan 8.310 nan 0.000 0.492 1324 A N 2.552 125.381 122.820 0.014 0.000 1.902 1324 A HA -0.037 4.284 4.320 0.002 0.000 0.217 1324 A C 2.417 180.013 177.584 0.019 0.000 1.181 1324 A CA 1.343 53.391 52.037 0.017 0.000 0.623 1324 A CB -0.568 18.441 19.000 0.014 0.000 0.818 1324 A HN 0.597 nan 8.150 nan 0.000 0.443 1325 R N -0.733 119.774 120.500 0.011 0.000 2.075 1325 R HA -0.046 4.295 4.340 0.002 0.000 0.232 1325 R C 1.984 178.292 176.300 0.013 0.000 1.126 1325 R CA 1.334 57.438 56.100 0.006 0.000 0.963 1325 R CB -0.570 29.724 30.300 -0.010 0.000 0.858 1325 R HN 0.371 nan 8.270 nan 0.000 0.435 1326 V N 1.299 121.222 119.914 0.015 0.000 2.407 1326 V HA -0.245 3.876 4.120 0.002 0.000 0.248 1326 V C 2.443 178.564 176.094 0.044 0.000 1.055 1326 V CA 1.941 64.256 62.300 0.026 0.000 1.049 1326 V CB -0.727 31.110 31.823 0.023 0.000 0.662 1326 V HN 0.408 nan 8.190 nan 0.000 0.455 1327 A N -0.225 122.621 122.820 0.042 0.000 1.972 1327 A HA -0.249 4.072 4.320 0.002 0.000 0.219 1327 A C 2.280 179.908 177.584 0.073 0.000 1.169 1327 A CA 1.982 54.051 52.037 0.055 0.000 0.635 1327 A CB -0.415 18.611 19.000 0.044 0.000 0.810 1327 A HN 0.555 nan 8.150 nan 0.000 0.446 1328 K N -0.864 119.574 120.400 0.064 0.000 2.097 1328 K HA -0.064 4.257 4.320 0.002 0.000 0.206 1328 K C 1.680 178.352 176.600 0.120 0.000 1.049 1328 K CA 1.114 57.448 56.287 0.078 0.000 0.933 1328 K CB -0.259 32.267 32.500 0.044 0.000 0.717 1328 K HN 0.296 nan 8.250 nan 0.000 0.442 1329 L N 0.364 121.650 121.223 0.103 0.000 2.027 1329 L HA -0.148 4.193 4.340 0.002 0.000 0.206 1329 L C 2.162 179.166 176.870 0.224 0.000 1.074 1329 L CA 1.392 56.324 54.840 0.152 0.000 0.745 1329 L CB -0.741 41.374 42.059 0.092 0.000 0.898 1329 L HN -0.044 nan 8.230 nan 0.000 0.433 1330 V N -0.224 119.787 119.914 0.162 0.000 2.392 1330 V HA -0.310 3.811 4.120 0.002 0.000 0.249 1330 V C 2.702 178.922 176.094 0.209 0.000 1.059 1330 V CA 1.568 63.972 62.300 0.173 0.000 1.051 1330 V CB -1.127 30.765 31.823 0.115 0.000 0.658 1330 V HN 0.502 nan 8.190 nan 0.000 0.455 1331 A N -0.527 122.404 122.820 0.186 0.000 1.902 1331 A HA -0.236 4.085 4.320 0.002 0.000 0.217 1331 A C 2.099 179.832 177.584 0.249 0.000 1.181 1331 A CA 1.950 54.095 52.037 0.180 0.000 0.623 1331 A CB -0.684 18.408 19.000 0.154 0.000 0.818 1331 A HN 0.515 nan 8.150 nan 0.000 0.443 1332 F N 0.458 120.497 119.950 0.150 0.000 2.102 1332 F HA -0.200 4.329 4.527 0.002 0.000 0.298 1332 F C 2.210 178.146 175.800 0.226 0.000 1.105 1332 F CA 2.246 60.360 58.000 0.190 0.000 1.239 1332 F CB -0.810 38.264 39.000 0.123 0.000 0.991 1332 F HN 0.534 nan 8.300 nan 0.000 0.474 1333 H N -0.387 118.715 119.070 0.053 0.000 2.321 1333 H HA -0.140 4.417 4.556 0.001 0.000 0.300 1333 H C 2.062 177.372 175.328 -0.028 0.000 1.087 1333 H CA 2.268 58.292 56.048 -0.039 0.000 1.319 1333 H CB -0.478 29.320 29.762 0.062 0.000 1.379 1333 H HN 0.222 nan 8.280 nan 0.000 0.501 1334 L N 0.773 121.960 121.223 -0.060 0.000 2.012 1334 L HA -0.120 4.221 4.340 0.002 0.000 0.210 1334 L C 2.763 179.562 176.870 -0.120 0.000 1.073 1334 L CA 1.961 56.737 54.840 -0.108 0.000 0.748 1334 L CB -1.669 40.409 42.059 0.031 0.000 0.891 1334 L HN 0.549 nan 8.230 nan 0.000 0.431 1335 A N -1.337 121.455 122.820 -0.047 0.000 1.877 1335 A HA -0.229 4.092 4.320 0.002 0.000 0.216 1335 A C 2.241 179.849 177.584 0.040 0.000 1.186 1335 A CA 1.931 53.956 52.037 -0.021 0.000 0.620 1335 A CB -0.417 18.603 19.000 0.034 0.000 0.822 1335 A HN 0.333 nan 8.150 nan 0.000 0.443 1336 M N -0.695 118.847 119.600 -0.096 0.000 2.086 1336 M HA -0.193 4.288 4.480 0.002 0.000 0.261 1336 M C 2.345 178.608 176.300 -0.062 0.000 1.067 1336 M CA 2.001 57.248 55.300 -0.089 0.000 1.116 1336 M CB -1.458 30.983 32.600 -0.267 0.000 1.348 1336 M HN 0.701 nan 8.290 nan 0.000 0.407 1337 Q N -0.271 119.398 119.800 -0.219 0.000 2.124 1337 Q HA -0.124 4.217 4.340 0.002 0.000 0.202 1337 Q C 1.958 177.912 176.000 -0.077 0.000 0.977 1337 Q CA 1.800 57.483 55.803 -0.200 0.000 0.850 1337 Q CB 0.011 28.515 28.738 -0.390 0.000 0.901 1337 Q HN 0.498 nan 8.270 nan 0.000 0.429 1338 A N 0.316 123.091 122.820 -0.076 0.000 1.930 1338 A HA -0.196 4.125 4.320 0.002 0.000 0.217 1338 A C 1.758 179.301 177.584 -0.068 0.000 1.175 1338 A CA 1.354 53.342 52.037 -0.083 0.000 0.627 1338 A CB -0.848 18.071 19.000 -0.135 0.000 0.815 1338 A HN 0.508 nan 8.150 nan 0.000 0.443 1339 H N -1.134 117.914 119.070 -0.037 0.000 2.352 1339 H HA -0.136 4.421 4.556 0.002 0.000 0.299 1339 H C 2.138 177.507 175.328 0.069 0.000 1.097 1339 H CA 1.831 57.891 56.048 0.019 0.000 1.311 1339 H CB -0.273 29.510 29.762 0.035 0.000 1.377 1339 H HN 0.439 nan 8.280 nan 0.000 0.504 1340 L N 1.012 122.339 121.223 0.173 0.000 1.994 1340 L HA -0.173 4.168 4.340 0.002 0.000 0.208 1340 L C 2.227 179.186 176.870 0.147 0.000 1.071 1340 L CA 1.271 56.203 54.840 0.153 0.000 0.745 1340 L CB -0.672 41.423 42.059 0.060 0.000 0.892 1340 L HN 0.068 nan 8.230 nan 0.000 0.431 1341 I N 0.368 120.986 120.570 0.080 0.000 2.127 1341 I HA -0.295 3.876 4.170 0.002 0.000 0.241 1341 I C 2.752 178.913 176.117 0.074 0.000 1.075 1341 I CA 1.675 63.015 61.300 0.067 0.000 1.334 1341 I CB -2.154 35.860 38.000 0.024 0.000 1.040 1341 I HN 0.384 nan 8.210 nan 0.000 0.405 1342 A N 1.074 123.921 122.820 0.046 0.000 1.940 1342 A HA -0.221 4.100 4.320 0.002 0.000 0.219 1342 A C 2.553 180.180 177.584 0.071 0.000 1.176 1342 A CA 2.543 54.599 52.037 0.032 0.000 0.631 1342 A CB -0.901 18.085 19.000 -0.023 0.000 0.814 1342 A HN 0.597 nan 8.150 nan 0.000 0.446 1343 S N -0.108 115.667 115.700 0.125 0.000 2.382 1343 S HA -0.185 4.286 4.470 0.002 0.000 0.228 1343 S C 1.622 176.298 174.600 0.127 0.000 1.027 1343 S CA 1.445 59.740 58.200 0.157 0.000 0.991 1343 S CB -0.473 62.917 63.200 0.316 0.000 0.823 1343 S HN 0.677 nan 8.310 nan 0.000 0.469 1344 E N 0.706 120.999 120.200 0.155 0.000 2.208 1344 E HA -0.034 4.317 4.350 0.002 0.000 0.193 1344 E C 1.873 178.595 176.600 0.203 0.000 0.988 1344 E CA 0.903 57.406 56.400 0.172 0.000 0.828 1344 E CB 0.017 29.829 29.700 0.187 0.000 0.763 1344 E HN 0.533 nan 8.360 nan 0.000 0.478 1345 E N -0.167 120.115 120.200 0.136 0.000 2.385 1345 E HA -0.041 4.310 4.350 0.002 0.000 0.194 1345 E C 1.358 178.036 176.600 0.129 0.000 1.013 1345 E CA 0.918 57.389 56.400 0.117 0.000 0.866 1345 E CB 0.398 30.136 29.700 0.063 0.000 0.832 1345 E HN 0.241 nan 8.360 nan 0.000 0.500 1346 T N -2.020 112.597 114.554 0.104 0.000 3.293 1346 T HA 0.461 4.812 4.350 0.002 0.000 0.276 1346 T C 0.707 175.431 174.700 0.041 0.000 1.003 1346 T CA -0.203 61.940 62.100 0.071 0.000 0.916 1346 T CB 0.423 69.311 68.868 0.033 0.000 1.134 1346 T HN -0.012 nan 8.240 nan 0.000 0.530 1347 G N 1.344 110.133 108.800 -0.019 0.000 2.535 1347 G HA2 0.644 4.605 3.960 0.002 0.000 0.282 1347 G HA3 0.644 4.605 3.960 0.002 0.000 0.282 1347 G C -0.610 174.114 174.900 -0.294 0.000 1.350 1347 G CA -1.036 43.840 45.100 -0.373 0.000 1.039 1347 G HN 0.604 nan 8.290 nan 0.000 0.509 1348 F N -3.633 115.940 119.950 -0.629 0.000 2.726 1348 F HA 0.697 5.225 4.527 0.002 0.000 0.324 1348 F C -0.878 174.673 175.800 -0.414 0.000 1.140 1348 F CA -1.557 56.233 58.000 -0.350 0.000 0.964 1348 F CB 1.041 39.940 39.000 -0.167 0.000 1.399 1348 F HN 0.457 nan 8.300 nan 0.000 0.491 1349 H N -0.056 119.103 119.070 0.148 0.000 2.463 1349 H HA 0.513 5.070 4.556 0.002 0.000 0.332 1349 H C 0.085 175.545 175.328 0.221 0.000 1.127 1349 H CA -0.069 56.039 56.048 0.100 0.000 1.238 1349 H CB 1.679 31.545 29.762 0.174 0.000 1.478 1349 H HN 0.862 nan 8.280 nan 0.000 0.499 1350 T N -0.562 114.139 114.554 0.245 0.000 2.788 1350 T HA 0.117 4.468 4.350 0.002 0.000 0.280 1350 T C 1.123 175.968 174.700 0.241 0.000 0.984 1350 T CA -0.933 61.327 62.100 0.266 0.000 0.972 1350 T CB 0.894 69.890 68.868 0.213 0.000 1.039 1350 T HN 0.501 nan 8.240 nan 0.000 0.530 1351 K N 0.674 121.197 120.400 0.205 0.000 2.152 1351 K HA 0.075 4.396 4.320 0.002 0.000 0.206 1351 K C 2.173 178.866 176.600 0.155 0.000 1.048 1351 K CA 1.429 57.815 56.287 0.166 0.000 0.933 1351 K CB -0.823 31.772 32.500 0.158 0.000 0.721 1351 K HN 0.758 nan 8.250 nan 0.000 0.447 1352 G N -0.509 108.394 108.800 0.170 0.000 2.848 1352 G HA2 0.196 4.157 3.960 0.002 0.000 0.208 1352 G HA3 0.196 4.157 3.960 0.002 0.000 0.208 1352 G C 0.919 175.910 174.900 0.152 0.000 1.152 1352 G CA 0.249 45.442 45.100 0.154 0.000 0.789 1352 G HN 0.428 nan 8.290 nan 0.000 0.531 1353 G N -0.239 108.665 108.800 0.173 0.000 2.159 1353 G HA2 -0.278 3.683 3.960 0.002 0.000 0.256 1353 G HA3 -0.278 3.683 3.960 0.002 0.000 0.256 1353 G C 0.496 175.577 174.900 0.301 0.000 0.977 1353 G CA -0.035 45.170 45.100 0.175 0.000 0.652 1353 G HN 0.641 nan 8.290 nan 0.000 0.531 1354 R N -0.446 120.230 120.500 0.292 0.000 2.340 1354 R HA 0.402 4.743 4.340 0.002 0.000 0.300 1354 R C -0.278 176.193 176.300 0.286 0.000 1.069 1354 R CA -0.676 55.613 56.100 0.316 0.000 0.984 1354 R CB 0.816 31.309 30.300 0.322 0.000 1.003 1354 R HN 0.288 nan 8.270 nan 0.000 0.459 1355 Y N 3.420 123.790 120.300 0.117 0.000 2.504 1355 Y HA 0.107 4.659 4.550 0.002 0.000 0.351 1355 Y C -0.051 175.764 175.900 -0.142 0.000 0.988 1355 Y CA 0.012 57.991 58.100 -0.202 0.000 1.239 1355 Y CB 0.367 38.695 38.460 -0.220 0.000 1.128 1355 Y HN 0.362 nan 8.280 nan 0.000 0.525 1356 K N 8.288 128.163 120.400 -0.875 0.000 2.130 1356 K HA 0.447 4.768 4.320 0.002 0.000 0.268 1356 K C -2.658 173.280 176.600 -1.103 0.000 0.983 1356 K CA -2.252 53.424 56.287 -1.019 0.000 0.893 1356 K CB 1.132 32.930 32.500 -1.170 0.000 1.066 1356 K HN 0.384 nan 8.250 nan 0.000 0.450 1357 P HA -0.021 nan 4.420 nan 0.000 0.273 1357 P C -1.143 176.061 177.300 -0.160 0.000 1.250 1357 P CA -0.217 62.630 63.100 -0.422 0.000 0.793 1357 P CB 0.362 31.808 31.700 -0.423 0.000 1.011 1358 N N 1.290 119.975 118.700 -0.026 0.000 2.402 1358 N HA 0.081 4.822 4.740 0.002 0.000 0.252 1358 N C -1.600 173.720 175.510 -0.317 0.000 1.118 1358 N CA -1.530 51.492 53.050 -0.047 0.000 0.945 1358 N CB 0.373 38.854 38.487 -0.010 0.000 1.147 1358 N HN 0.207 nan 8.380 nan 0.000 0.495 1359 P HA -0.151 nan 4.420 nan 0.000 0.217 1359 P C 1.422 178.329 177.300 -0.656 0.000 1.150 1359 P CA 0.428 62.833 63.100 -1.160 0.000 0.832 1359 P CB 0.211 31.657 31.700 -0.423 0.000 0.787 1360 L N -0.631 120.448 121.223 -0.240 0.000 2.043 1360 L HA -0.187 4.154 4.340 0.002 0.000 0.212 1360 L C 2.149 179.098 176.870 0.130 0.000 1.075 1360 L CA 1.960 56.812 54.840 0.021 0.000 0.752 1360 L CB -1.062 41.028 42.059 0.052 0.000 0.891 1360 L HN -0.112 nan 8.230 nan 0.000 0.432 1361 I N -1.481 119.097 120.570 0.013 0.000 2.277 1361 I HA -0.251 3.920 4.170 0.002 0.000 0.243 1361 I C 2.391 178.648 176.117 0.234 0.000 1.094 1361 I CA 1.308 62.695 61.300 0.146 0.000 1.393 1361 I CB -0.620 37.441 38.000 0.102 0.000 1.078 1361 I HN 0.414 nan 8.210 nan 0.000 0.417 1362 Y N 0.370 120.781 120.300 0.185 0.000 2.439 1362 Y HA -0.037 4.514 4.550 0.002 0.000 0.292 1362 Y C 1.747 177.700 175.900 0.088 0.000 1.130 1362 Y CA 0.366 58.559 58.100 0.156 0.000 1.254 1362 Y CB -1.197 37.374 38.460 0.186 0.000 1.000 1362 Y HN 0.085 nan 8.280 nan 0.000 0.554 1363 D N 0.277 120.706 120.400 0.048 0.000 2.162 1363 D HA -0.093 4.548 4.640 0.002 0.000 0.203 1363 D C 1.618 177.865 176.300 -0.087 0.000 0.967 1363 D CA 1.138 55.117 54.000 -0.034 0.000 0.840 1363 D CB -0.452 40.230 40.800 -0.197 0.000 0.972 1363 D HN 0.415 nan 8.370 nan 0.000 0.482 1364 F N 1.166 121.114 119.950 -0.004 0.000 2.325 1364 F HA 0.037 4.565 4.527 0.002 0.000 0.299 1364 F C 2.451 178.186 175.800 -0.108 0.000 1.090 1364 F CA 0.893 58.895 58.000 0.004 0.000 1.392 1364 F CB -0.417 38.622 39.000 0.064 0.000 1.053 1364 F HN -0.022 nan 8.300 nan 0.000 0.521 1365 G N 0.093 108.889 108.800 -0.005 0.000 2.459 1365 G HA2 -0.242 3.719 3.960 0.002 0.000 0.217 1365 G HA3 -0.242 3.719 3.960 0.002 0.000 0.217 1365 G C 1.836 176.697 174.900 -0.065 0.000 1.183 1365 G CA 0.637 45.549 45.100 -0.314 0.000 0.776 1365 G HN 0.207 nan 8.290 nan 0.000 0.552 1366 R N 0.579 121.091 120.500 0.020 0.000 2.096 1366 R HA -0.078 4.263 4.340 0.002 0.000 0.240 1366 R C 3.041 179.389 176.300 0.080 0.000 1.139 1366 R CA 1.296 57.420 56.100 0.040 0.000 0.952 1366 R CB -0.538 29.757 30.300 -0.008 0.000 0.854 1366 R HN 0.358 nan 8.270 nan 0.000 0.436 1367 A N 0.788 123.612 122.820 0.007 0.000 1.908 1367 A HA -0.245 4.076 4.320 0.002 0.000 0.218 1367 A C 2.051 179.701 177.584 0.110 0.000 1.181 1367 A CA 1.615 53.660 52.037 0.013 0.000 0.627 1367 A CB -0.938 18.009 19.000 -0.087 0.000 0.818 1367 A HN 0.453 nan 8.150 nan 0.000 0.445 1368 H N -2.218 116.877 119.070 0.041 0.000 2.387 1368 H HA -0.158 4.399 4.556 0.002 0.000 0.299 1368 H C 1.911 177.379 175.328 0.233 0.000 1.090 1368 H CA 1.926 58.030 56.048 0.093 0.000 1.332 1368 H CB -0.185 29.565 29.762 -0.020 0.000 1.386 1368 H HN 0.535 nan 8.280 nan 0.000 0.516 1369 F N 0.490 120.506 119.950 0.110 0.000 2.128 1369 F HA -0.159 4.369 4.527 0.001 0.000 0.295 1369 F C 2.170 178.041 175.800 0.118 0.000 1.100 1369 F CA 0.548 58.678 58.000 0.217 0.000 1.260 1369 F CB -0.255 38.844 39.000 0.165 0.000 1.009 1369 F HN 0.072 nan 8.300 nan 0.000 0.476 1370 L N 0.466 121.840 121.223 0.251 0.000 2.083 1370 L HA -0.219 4.122 4.340 0.002 0.000 0.209 1370 L C 2.319 179.178 176.870 -0.018 0.000 1.083 1370 L CA 1.718 56.636 54.840 0.130 0.000 0.752 1370 L CB -1.258 40.862 42.059 0.103 0.000 0.899 1370 L HN 0.275 nan 8.230 nan 0.000 0.433 1371 Q N -1.191 118.580 119.800 -0.050 0.000 2.123 1371 Q HA -0.117 4.224 4.340 0.002 0.000 0.199 1371 Q C 1.497 177.378 176.000 -0.199 0.000 0.966 1371 Q CA 1.522 57.265 55.803 -0.100 0.000 0.845 1371 Q CB -0.084 28.614 28.738 -0.067 0.000 0.907 1371 Q HN 0.575 nan 8.270 nan 0.000 0.439 1372 N N 0.096 118.612 118.700 -0.306 0.000 2.299 1372 N HA -0.066 4.675 4.740 0.002 0.000 0.187 1372 N C 1.444 176.576 175.510 -0.629 0.000 1.099 1372 N CA 0.061 52.830 53.050 -0.469 0.000 0.867 1372 N CB 0.348 38.480 38.487 -0.591 0.000 0.974 1372 N HN 0.262 nan 8.380 nan 0.000 0.477 1373 Q N 0.112 119.566 119.800 -0.577 0.000 2.181 1373 Q HA -0.172 4.169 4.340 0.002 0.000 0.205 1373 Q C 1.729 177.470 176.000 -0.431 0.000 0.980 1373 Q CA 1.308 56.744 55.803 -0.612 0.000 0.862 1373 Q CB -0.192 28.258 28.738 -0.478 0.000 0.905 1373 Q HN 0.291 nan 8.270 nan 0.000 0.429 1374 M N 1.681 121.061 119.600 -0.368 0.000 2.123 1374 M HA -0.120 4.361 4.480 0.002 0.000 0.263 1374 M C 2.263 178.382 176.300 -0.301 0.000 1.069 1374 M CA 1.963 57.050 55.300 -0.355 0.000 1.133 1374 M CB -0.034 32.382 32.600 -0.308 0.000 1.356 1374 M HN 0.452 nan 8.290 nan 0.000 0.415 1375 S N -0.572 114.951 115.700 -0.295 0.000 2.368 1375 S HA -0.133 4.338 4.470 0.002 0.000 0.225 1375 S C 1.937 176.411 174.600 -0.210 0.000 1.030 1375 S CA 1.346 59.413 58.200 -0.221 0.000 0.999 1375 S CB -1.755 61.309 63.200 -0.227 0.000 0.844 1375 S HN 0.511 nan 8.310 nan 0.000 0.459 1376 V N 0.211 119.897 119.914 -0.379 0.000 2.626 1376 V HA 0.005 4.126 4.120 0.002 0.000 0.252 1376 V C 2.283 178.178 176.094 -0.332 0.000 1.067 1376 V CA 1.719 63.793 62.300 -0.377 0.000 1.081 1376 V CB -0.887 30.571 31.823 -0.608 0.000 0.686 1376 V HN 0.562 nan 8.190 nan 0.000 0.468 1377 M N -0.341 119.020 119.600 -0.398 0.000 2.086 1377 M HA -0.155 4.326 4.480 0.002 0.000 0.261 1377 M C 2.306 178.393 176.300 -0.356 0.000 1.067 1377 M CA 2.665 57.622 55.300 -0.573 0.000 1.116 1377 M CB -0.539 31.698 32.600 -0.605 0.000 1.348 1377 M HN 0.547 nan 8.290 nan 0.000 0.407 1378 Y N 1.602 121.711 120.300 -0.318 0.000 2.128 1378 Y HA -0.274 4.277 4.550 0.002 0.000 0.284 1378 Y C 2.128 177.926 175.900 -0.169 0.000 1.154 1378 Y CA 2.210 60.183 58.100 -0.211 0.000 1.149 1378 Y CB -0.399 37.952 38.460 -0.182 0.000 0.976 1378 Y HN 0.343 nan 8.280 nan 0.000 0.505 1379 E N 0.459 120.532 120.200 -0.212 0.000 2.085 1379 E HA -0.238 4.113 4.350 0.002 0.000 0.194 1379 E C 2.409 178.863 176.600 -0.243 0.000 0.994 1379 E CA 1.272 57.521 56.400 -0.251 0.000 0.801 1379 E CB -0.640 28.988 29.700 -0.119 0.000 0.743 1379 E HN 0.562 nan 8.360 nan 0.000 0.453 1380 L N 0.594 121.686 121.223 -0.219 0.000 2.017 1380 L HA -0.187 4.154 4.340 0.002 0.000 0.208 1380 L C 2.481 179.258 176.870 -0.155 0.000 1.073 1380 L CA 1.128 55.871 54.840 -0.161 0.000 0.745 1380 L CB -0.251 41.703 42.059 -0.174 0.000 0.894 1380 L HN 0.159 nan 8.230 nan 0.000 0.432 1381 L N -0.541 120.560 121.223 -0.204 0.000 2.056 1381 L HA -0.247 4.094 4.340 0.002 0.000 0.207 1381 L C 2.215 178.971 176.870 -0.189 0.000 1.078 1381 L CA 1.443 56.194 54.840 -0.148 0.000 0.749 1381 L CB -0.559 41.428 42.059 -0.119 0.000 0.901 1381 L HN 0.303 nan 8.230 nan 0.000 0.433 1382 D N -0.156 120.035 120.400 -0.349 0.000 2.178 1382 D HA -0.165 4.476 4.640 0.002 0.000 0.201 1382 D C 2.052 178.237 176.300 -0.192 0.000 0.980 1382 D CA 0.889 54.681 54.000 -0.346 0.000 0.842 1382 D CB 0.179 40.610 40.800 -0.615 0.000 0.948 1382 D HN -0.000 nan 8.370 nan 0.000 0.472 1383 L N 0.171 121.295 121.223 -0.164 0.000 2.156 1383 L HA 0.138 4.479 4.340 0.002 0.000 0.208 1383 L C 2.259 179.098 176.870 -0.050 0.000 1.095 1383 L CA 1.244 56.031 54.840 -0.089 0.000 0.770 1383 L CB -1.061 40.954 42.059 -0.073 0.000 0.914 1383 L HN 0.044 nan 8.230 nan 0.000 0.439 1384 A N -1.470 121.320 122.820 -0.051 0.000 2.016 1384 A HA 0.380 4.701 4.320 0.002 0.000 0.217 1384 A C 1.623 179.203 177.584 -0.007 0.000 1.162 1384 A CA 1.063 53.089 52.037 -0.017 0.000 0.662 1384 A CB -0.693 18.304 19.000 -0.006 0.000 0.812 1384 A HN 0.497 nan 8.150 nan 0.000 0.450 1385 G N 0.309 109.095 108.800 -0.024 0.000 2.528 1385 G HA2 -0.366 3.595 3.960 0.002 0.000 0.262 1385 G HA3 -0.366 3.595 3.960 0.002 0.000 0.262 1385 G C 0.884 175.790 174.900 0.010 0.000 1.200 1385 G CA 0.585 45.680 45.100 -0.008 0.000 0.951 1385 G HN 1.012 nan 8.290 nan 0.000 0.566 1386 R N 0.633 121.149 120.500 0.026 0.000 2.316 1386 R HA 0.129 4.470 4.340 0.002 0.000 0.202 1386 R C 2.180 178.506 176.300 0.043 0.000 1.029 1386 R CA 1.864 57.987 56.100 0.038 0.000 1.018 1386 R CB -0.607 29.722 30.300 0.049 0.000 0.888 1386 R HN 0.387 nan 8.270 nan 0.000 0.471 1387 S N 1.605 117.328 115.700 0.037 0.000 2.419 1387 S HA -0.093 4.378 4.470 0.002 0.000 0.233 1387 S C 1.631 176.244 174.600 0.020 0.000 1.016 1387 S CA 1.553 59.771 58.200 0.030 0.000 0.974 1387 S CB -0.063 63.147 63.200 0.016 0.000 0.786 1387 S HN 0.640 nan 8.310 nan 0.000 0.492 1388 S N 0.046 115.764 115.700 0.029 0.000 2.575 1388 S HA 0.332 4.803 4.470 0.002 0.000 0.215 1388 S C 1.097 175.726 174.600 0.049 0.000 0.966 1388 S CA -0.304 57.921 58.200 0.041 0.000 0.911 1388 S CB 0.151 63.387 63.200 0.060 0.000 0.780 1388 S HN 0.348 nan 8.310 nan 0.000 0.514 1389 L N -0.309 120.941 121.223 0.044 0.000 2.775 1389 L HA 0.503 4.844 4.340 0.002 0.000 0.175 1389 L C -0.249 176.649 176.870 0.048 0.000 1.110 1389 L CA 0.568 55.438 54.840 0.050 0.000 0.862 1389 L CB -0.126 41.964 42.059 0.052 0.000 1.381 1389 L HN 0.264 nan 8.230 nan 0.000 0.499 1390 M N 3.111 122.744 119.600 0.057 0.000 3.596 1390 M HA 0.240 4.721 4.480 0.002 0.000 0.212 1390 M C -0.406 175.938 176.300 0.073 0.000 1.519 1390 M CA 0.469 55.813 55.300 0.075 0.000 1.670 1390 M CB -1.202 31.455 32.600 0.095 0.000 1.113 1390 M HN 0.081 nan 8.290 nan 0.000 0.565 1391 I N 3.614 124.203 120.570 0.032 0.000 2.312 1391 I HA 0.273 4.444 4.170 0.002 0.000 0.290 1391 I C -1.827 174.262 176.117 -0.046 0.000 1.008 1391 I CA -1.901 59.393 61.300 -0.009 0.000 1.226 1391 I CB 1.284 39.250 38.000 -0.057 0.000 1.371 1391 I HN 0.219 nan 8.210 nan 0.000 0.468 1392 P HA 0.111 nan 4.420 nan 0.000 0.276 1392 P C -0.027 177.157 177.300 -0.193 0.000 1.253 1392 P CA -0.304 62.640 63.100 -0.260 0.000 0.766 1392 P CB 0.629 32.044 31.700 -0.476 0.000 0.845 1393 S N 1.658 117.256 115.700 -0.170 0.000 2.598 1393 S HA 0.011 4.482 4.470 0.002 0.000 0.256 1393 S C 1.386 175.932 174.600 -0.091 0.000 1.350 1393 S CA -0.151 57.976 58.200 -0.121 0.000 0.984 1393 S CB 0.553 63.705 63.200 -0.080 0.000 0.930 1393 S HN 0.374 nan 8.310 nan 0.000 0.577 1394 E N 1.326 121.484 120.200 -0.070 0.000 2.038 1394 E HA -0.032 4.319 4.350 0.002 0.000 0.195 1394 E C 2.226 178.851 176.600 0.041 0.000 1.000 1394 E CA 1.956 58.343 56.400 -0.022 0.000 0.803 1394 E CB -1.239 28.440 29.700 -0.036 0.000 0.750 1394 E HN 0.846 nan 8.360 nan 0.000 0.448 1395 G N -0.100 108.708 108.800 0.015 0.000 2.442 1395 G HA2 -0.327 3.634 3.960 0.002 0.000 0.219 1395 G HA3 -0.327 3.634 3.960 0.002 0.000 0.219 1395 G C 1.424 176.352 174.900 0.046 0.000 1.141 1395 G CA 1.013 46.133 45.100 0.034 0.000 0.763 1395 G HN 0.318 nan 8.290 nan 0.000 0.554 1396 Q N -1.279 118.514 119.800 -0.011 0.000 2.123 1396 Q HA -0.039 4.302 4.340 0.002 0.000 0.199 1396 Q C 2.234 178.213 176.000 -0.034 0.000 0.966 1396 Q CA 0.660 56.427 55.803 -0.059 0.000 0.845 1396 Q CB -0.193 28.341 28.738 -0.341 0.000 0.907 1396 Q HN 0.694 nan 8.270 nan 0.000 0.439 1397 W N 1.920 123.082 121.300 -0.231 0.000 2.388 1397 W HA -0.141 4.520 4.660 0.002 0.000 0.294 1397 W C 0.394 176.935 176.519 0.037 0.000 1.212 1397 W CA 1.267 58.562 57.345 -0.084 0.000 1.271 1397 W CB 0.192 29.586 29.460 -0.111 0.000 1.126 1397 W HN 0.167 nan 8.180 nan 0.000 0.535 1398 D N 0.267 120.801 120.400 0.223 0.000 2.347 1398 D HA -0.068 4.573 4.640 0.002 0.000 0.213 1398 D C -0.052 176.298 176.300 0.082 0.000 0.985 1398 D CA 0.771 54.858 54.000 0.145 0.000 0.879 1398 D CB -0.605 40.272 40.800 0.129 0.000 0.919 1398 D HN 0.078 nan 8.370 nan 0.000 0.526 1399 D N -0.060 120.398 120.400 0.095 0.000 2.583 1399 D HA -0.064 4.577 4.640 0.002 0.000 0.232 1399 D C 1.348 177.681 176.300 0.056 0.000 1.128 1399 D CA 0.255 54.309 54.000 0.091 0.000 0.859 1399 D CB 0.876 41.764 40.800 0.146 0.000 1.169 1399 D HN -0.090 nan 8.370 nan 0.000 0.481 1400 S N 2.663 118.387 115.700 0.040 0.000 2.406 1400 S HA -0.207 4.264 4.470 0.002 0.000 0.228 1400 S C 1.526 176.129 174.600 0.004 0.000 1.020 1400 S CA 0.703 58.911 58.200 0.013 0.000 0.965 1400 S CB -0.262 62.946 63.200 0.014 0.000 0.798 1400 S HN 0.699 nan 8.310 nan 0.000 0.488 1401 Q N 0.973 120.792 119.800 0.033 0.000 2.163 1401 Q HA 0.209 4.550 4.340 0.002 0.000 0.198 1401 Q C 1.705 177.741 176.000 0.061 0.000 0.954 1401 Q CA 1.284 57.111 55.803 0.040 0.000 0.851 1401 Q CB -0.097 28.678 28.738 0.062 0.000 0.928 1401 Q HN 0.532 nan 8.270 nan 0.000 0.459 1402 S N -0.032 115.731 115.700 0.105 0.000 2.575 1402 S HA 0.123 4.594 4.470 0.002 0.000 0.230 1402 S C 1.843 176.510 174.600 0.112 0.000 1.062 1402 S CA 0.243 58.561 58.200 0.196 0.000 0.913 1402 S CB 0.361 63.688 63.200 0.211 0.000 0.837 1402 S HN 0.529 nan 8.310 nan 0.000 0.487 1403 G N 3.223 112.090 108.800 0.112 0.000 2.663 1403 G HA2 -0.419 3.542 3.960 0.002 0.000 0.222 1403 G HA3 -0.419 3.542 3.960 0.002 0.000 0.222 1403 G C 1.317 176.115 174.900 -0.169 0.000 1.146 1403 G CA 1.840 46.974 45.100 0.057 0.000 0.764 1403 G HN 0.697 nan 8.290 nan 0.000 0.608 1404 Q N -0.930 118.715 119.800 -0.258 0.000 2.197 1404 Q HA -0.238 4.103 4.340 0.002 0.000 0.211 1404 Q C 2.232 177.996 176.000 -0.394 0.000 0.993 1404 Q CA 1.978 57.549 55.803 -0.387 0.000 0.883 1404 Q CB -0.812 27.625 28.738 -0.502 0.000 0.916 1404 Q HN 0.743 nan 8.270 nan 0.000 0.418 1405 W N -0.182 120.953 121.300 -0.275 0.000 2.388 1405 W HA 0.044 4.705 4.660 0.002 0.000 0.294 1405 W C 1.757 178.058 176.519 -0.364 0.000 1.212 1405 W CA 0.329 57.471 57.345 -0.338 0.000 1.271 1405 W CB -0.223 28.968 29.460 -0.448 0.000 1.126 1405 W HN 0.072 nan 8.180 nan 0.000 0.535 1406 F N -0.589 119.342 119.950 -0.031 0.000 2.186 1406 F HA -0.207 4.321 4.527 0.001 0.000 0.299 1406 F C 2.193 177.806 175.800 -0.312 0.000 1.090 1406 F CA 0.891 58.814 58.000 -0.127 0.000 1.307 1406 F CB -1.104 37.791 39.000 -0.175 0.000 1.019 1406 F HN -0.338 nan 8.300 nan 0.000 0.489 1407 V N -0.054 119.596 119.914 -0.440 0.000 2.343 1407 V HA -0.270 3.851 4.120 0.002 0.000 0.247 1407 V C 2.548 178.626 176.094 -0.025 0.000 1.051 1407 V CA 1.640 63.738 62.300 -0.337 0.000 1.036 1407 V CB -0.492 31.118 31.823 -0.356 0.000 0.654 1407 V HN 0.178 nan 8.190 nan 0.000 0.451 1408 K N -0.304 120.071 120.400 -0.042 0.000 2.211 1408 K HA -0.068 4.253 4.320 0.002 0.000 0.203 1408 K C 1.954 178.611 176.600 0.096 0.000 1.050 1408 K CA 1.055 57.356 56.287 0.024 0.000 0.945 1408 K CB -0.478 32.028 32.500 0.011 0.000 0.732 1408 K HN 0.303 nan 8.250 nan 0.000 0.451 1409 L N 1.544 122.842 121.223 0.125 0.000 2.109 1409 L HA -0.048 4.293 4.340 0.002 0.000 0.207 1409 L C 1.296 178.286 176.870 0.200 0.000 1.086 1409 L CA 1.576 56.511 54.840 0.158 0.000 0.760 1409 L CB -0.429 41.738 42.059 0.179 0.000 0.910 1409 L HN 0.144 nan 8.230 nan 0.000 0.437 1410 N N -0.473 118.388 118.700 0.269 0.000 2.270 1410 N HA -0.007 4.734 4.740 0.002 0.000 0.198 1410 N C 0.057 175.769 175.510 0.336 0.000 1.117 1410 N CA -0.027 53.219 53.050 0.327 0.000 0.845 1410 N CB -0.106 38.649 38.487 0.448 0.000 0.980 1410 N HN 0.285 nan 8.380 nan 0.000 0.486 1411 N N 0.501 119.332 118.700 0.220 0.000 2.520 1411 N HA 0.286 5.027 4.740 0.002 0.000 0.273 1411 N C 0.013 175.562 175.510 0.065 0.000 1.155 1411 N CA 0.175 53.309 53.050 0.141 0.000 0.967 1411 N CB 0.868 39.405 38.487 0.083 0.000 1.092 1411 N HN 0.110 nan 8.380 nan 0.000 0.457 1412 G N 2.027 110.784 108.800 -0.072 0.000 2.949 1412 G HA2 0.373 4.334 3.960 0.002 0.000 0.285 1412 G HA3 0.373 4.334 3.960 0.002 0.000 0.285 1412 G C -1.991 172.820 174.900 -0.149 0.000 1.395 1412 G CA -1.032 43.985 45.100 -0.137 0.000 0.901 1412 G HN 0.424 nan 8.290 nan 0.000 0.519 1413 P HA 0.003 nan 4.420 nan 0.000 0.224 1413 P C 0.909 178.154 177.300 -0.093 0.000 1.142 1413 P CA 1.175 64.228 63.100 -0.078 0.000 0.778 1413 P CB 0.199 31.867 31.700 -0.053 0.000 0.764 1414 K N -1.836 118.465 120.400 -0.165 0.000 2.413 1414 K HA 0.334 4.655 4.320 0.002 0.000 0.204 1414 K C 1.125 177.655 176.600 -0.115 0.000 1.041 1414 K CA 0.244 56.456 56.287 -0.125 0.000 1.082 1414 K CB 0.526 32.958 32.500 -0.113 0.000 0.871 1414 K HN 0.054 nan 8.250 nan 0.000 0.535 1415 G N 2.561 111.282 108.800 -0.132 0.000 2.564 1415 G HA2 -0.369 3.592 3.960 0.002 0.000 0.273 1415 G HA3 -0.369 3.592 3.960 0.002 0.000 0.273 1415 G C -0.364 174.545 174.900 0.014 0.000 1.242 1415 G CA -0.057 45.015 45.100 -0.047 0.000 0.951 1415 G HN 0.418 nan 8.290 nan 0.000 0.564 1416 N N -0.526 118.237 118.700 0.104 0.000 2.696 1416 N HA -0.150 4.591 4.740 0.002 0.000 0.256 1416 N C -1.312 174.400 175.510 0.337 0.000 1.031 1416 N CA 1.217 54.380 53.050 0.187 0.000 0.730 1416 N CB -0.752 37.835 38.487 0.167 0.000 0.894 1416 N HN 0.400 nan 8.380 nan 0.000 0.544 1417 P HA -0.185 nan 4.420 nan 0.000 0.218 1417 P C 1.583 179.057 177.300 0.290 0.000 1.154 1417 P CA 1.096 64.452 63.100 0.427 0.000 0.872 1417 P CB 0.212 32.198 31.700 0.477 0.000 0.790 1418 R N -0.012 120.589 120.500 0.168 0.000 2.159 1418 R HA -0.150 4.191 4.340 0.002 0.000 0.237 1418 R C 2.003 178.170 176.300 -0.222 0.000 1.131 1418 R CA 1.307 57.293 56.100 -0.191 0.000 0.982 1418 R CB -0.814 29.400 30.300 -0.144 0.000 0.868 1418 R HN 0.457 nan 8.270 nan 0.000 0.453 1419 E N -0.337 119.792 120.200 -0.117 0.000 2.106 1419 E HA -0.172 4.179 4.350 0.002 0.000 0.192 1419 E C 2.047 178.417 176.600 -0.384 0.000 0.984 1419 E CA 0.685 56.966 56.400 -0.199 0.000 0.806 1419 E CB -0.129 29.529 29.700 -0.070 0.000 0.750 1419 E HN 0.119 nan 8.360 nan 0.000 0.458 1420 R N 0.796 120.922 120.500 -0.623 0.000 2.103 1420 R HA -0.162 4.179 4.340 0.002 0.000 0.242 1420 R C 2.145 178.300 176.300 -0.243 0.000 1.142 1420 R CA 1.172 56.968 56.100 -0.505 0.000 0.960 1420 R CB -0.283 29.835 30.300 -0.303 0.000 0.858 1420 R HN 0.018 nan 8.270 nan 0.000 0.439 1421 V N 0.561 120.328 119.914 -0.244 0.000 2.358 1421 V HA -0.229 3.892 4.120 0.002 0.000 0.246 1421 V C 2.202 178.163 176.094 -0.222 0.000 1.047 1421 V CA 1.903 64.057 62.300 -0.243 0.000 1.035 1421 V CB -0.487 31.083 31.823 -0.421 0.000 0.658 1421 V HN 0.444 nan 8.190 nan 0.000 0.452 1422 Q N -0.279 119.383 119.800 -0.231 0.000 2.079 1422 Q HA -0.136 4.205 4.340 0.002 0.000 0.200 1422 Q C 2.271 178.197 176.000 -0.124 0.000 0.974 1422 Q CA 1.777 57.475 55.803 -0.175 0.000 0.840 1422 Q CB -0.250 28.393 28.738 -0.158 0.000 0.898 1422 Q HN 0.572 nan 8.270 nan 0.000 0.430 1423 I N 0.556 121.052 120.570 -0.124 0.000 2.252 1423 I HA -0.178 3.993 4.170 0.002 0.000 0.245 1423 I C 2.404 178.489 176.117 -0.052 0.000 1.102 1423 I CA 1.151 62.405 61.300 -0.076 0.000 1.385 1423 I CB -0.713 37.237 38.000 -0.082 0.000 1.064 1423 I HN 0.268 nan 8.210 nan 0.000 0.414 1424 G N 0.835 109.591 108.800 -0.073 0.000 2.442 1424 G HA2 -0.227 3.734 3.960 0.002 0.000 0.219 1424 G HA3 -0.227 3.734 3.960 0.002 0.000 0.219 1424 G C 1.839 176.719 174.900 -0.032 0.000 1.141 1424 G CA 0.498 45.574 45.100 -0.041 0.000 0.763 1424 G HN 0.303 nan 8.290 nan 0.000 0.554 1425 R N -0.390 120.066 120.500 -0.073 0.000 2.092 1425 R HA 0.030 4.371 4.340 0.002 0.000 0.231 1425 R C 2.644 178.926 176.300 -0.032 0.000 1.119 1425 R CA 0.905 56.955 56.100 -0.083 0.000 0.970 1425 R CB -0.475 29.739 30.300 -0.145 0.000 0.864 1425 R HN 0.297 nan 8.270 nan 0.000 0.440 1426 V N 1.485 121.386 119.914 -0.022 0.000 2.343 1426 V HA -0.227 3.894 4.120 0.002 0.000 0.247 1426 V C 2.222 178.355 176.094 0.065 0.000 1.051 1426 V CA 1.664 63.971 62.300 0.013 0.000 1.036 1426 V CB -0.297 31.531 31.823 0.008 0.000 0.654 1426 V HN 0.276 nan 8.190 nan 0.000 0.451 1427 I N -0.403 120.217 120.570 0.083 0.000 2.252 1427 I HA -0.209 3.962 4.170 0.002 0.000 0.245 1427 I C 2.730 178.959 176.117 0.186 0.000 1.102 1427 I CA 1.512 62.910 61.300 0.164 0.000 1.385 1427 I CB -0.540 37.545 38.000 0.141 0.000 1.064 1427 I HN 0.242 nan 8.210 nan 0.000 0.414 1428 R N 1.191 121.767 120.500 0.127 0.000 2.081 1428 R HA -0.210 4.131 4.340 0.002 0.000 0.235 1428 R C 1.730 178.133 176.300 0.172 0.000 1.131 1428 R CA 2.072 58.258 56.100 0.143 0.000 0.960 1428 R CB -0.270 30.088 30.300 0.097 0.000 0.856 1428 R HN 0.267 nan 8.270 nan 0.000 0.436 1429 D N 0.548 121.042 120.400 0.155 0.000 2.117 1429 D HA -0.135 4.506 4.640 0.002 0.000 0.197 1429 D C 1.870 178.308 176.300 0.231 0.000 0.987 1429 D CA 0.746 54.861 54.000 0.192 0.000 0.829 1429 D CB -0.080 40.777 40.800 0.096 0.000 0.961 1429 D HN 0.124 nan 8.370 nan 0.000 0.460 1430 L N -0.763 120.511 121.223 0.086 0.000 2.046 1430 L HA -0.139 4.202 4.340 0.002 0.000 0.208 1430 L C 1.392 177.964 176.870 -0.495 0.000 1.077 1430 L CA 1.746 56.430 54.840 -0.261 0.000 0.747 1430 L CB -0.623 41.162 42.059 -0.456 0.000 0.896 1430 L HN 0.210 nan 8.230 nan 0.000 0.432 1431 Y N -3.942 116.484 120.300 0.210 0.000 2.499 1431 Y HA 0.233 4.784 4.550 0.001 0.000 0.253 1431 Y C 0.939 176.979 175.900 0.234 0.000 1.105 1431 Y CA -0.444 57.815 58.100 0.265 0.000 1.240 1431 Y CB 0.736 39.331 38.460 0.226 0.000 1.289 1431 Y HN -0.141 nan 8.280 nan 0.000 0.534 1432 L N 0.767 122.159 121.223 0.282 0.000 3.168 1432 L HA 0.296 4.637 4.340 0.002 0.000 0.277 1432 L C 0.415 177.390 176.870 0.176 0.000 1.245 1432 L CA -0.010 54.962 54.840 0.220 0.000 1.035 1432 L CB -0.151 42.019 42.059 0.185 0.000 1.399 1432 L HN 0.120 nan 8.230 nan 0.000 0.580 1433 T N -6.054 108.599 114.554 0.166 0.000 2.901 1433 T HA 0.385 4.736 4.350 0.002 0.000 0.293 1433 T C 0.685 175.444 174.700 0.099 0.000 1.084 1433 T CA -0.322 61.854 62.100 0.128 0.000 1.008 1433 T CB 1.760 70.707 68.868 0.132 0.000 1.170 1433 T HN 0.048 nan 8.240 nan 0.000 0.509 1434 D N -0.258 120.189 120.400 0.079 0.000 2.144 1434 D HA -0.082 4.559 4.640 0.002 0.000 0.200 1434 D C 1.537 177.849 176.300 0.019 0.000 0.978 1434 D CA 0.672 54.695 54.000 0.039 0.000 0.833 1434 D CB -0.474 40.352 40.800 0.043 0.000 0.961 1434 D HN 0.669 nan 8.370 nan 0.000 0.470 1435 W N 2.138 123.375 121.300 -0.106 0.000 2.321 1435 W HA -0.080 4.581 4.660 0.001 0.000 0.306 1435 W C 2.391 178.806 176.519 -0.173 0.000 1.217 1435 W CA 2.697 59.970 57.345 -0.120 0.000 1.257 1435 W CB -0.468 28.933 29.460 -0.097 0.000 1.145 1435 W HN 0.042 nan 8.180 nan 0.000 0.509 1436 G N -0.192 108.580 108.800 -0.046 0.000 2.394 1436 G HA2 -0.154 3.807 3.960 0.002 0.000 0.215 1436 G HA3 -0.154 3.807 3.960 0.002 0.000 0.215 1436 G C 1.679 176.203 174.900 -0.625 0.000 1.165 1436 G CA 0.953 45.852 45.100 -0.336 0.000 0.784 1436 G HN 0.507 nan 8.290 nan 0.000 0.535 1437 G N 0.736 109.195 108.800 -0.567 0.000 2.432 1437 G HA2 -0.232 3.729 3.960 0.002 0.000 0.219 1437 G HA3 -0.232 3.729 3.960 0.002 0.000 0.219 1437 G C 1.775 176.152 174.900 -0.871 0.000 1.135 1437 G CA 1.061 45.524 45.100 -1.062 0.000 0.767 1437 G HN 0.508 nan 8.290 nan 0.000 0.550 1438 R N 0.452 120.666 120.500 -0.477 0.000 2.139 1438 R HA -0.158 4.183 4.340 0.002 0.000 0.243 1438 R C 2.284 178.424 176.300 -0.267 0.000 1.145 1438 R CA 1.918 57.832 56.100 -0.310 0.000 0.976 1438 R CB -0.462 29.649 30.300 -0.316 0.000 0.866 1438 R HN 0.453 nan 8.270 nan 0.000 0.449 1439 Q N 0.155 119.691 119.800 -0.439 0.000 2.167 1439 Q HA -0.102 4.239 4.340 0.002 0.000 0.202 1439 Q C 0.404 176.449 176.000 0.074 0.000 0.970 1439 Q CA 1.285 56.972 55.803 -0.193 0.000 0.855 1439 Q CB -0.015 28.525 28.738 -0.330 0.000 0.911 1439 Q HN 0.508 nan 8.270 nan 0.000 0.438 1440 F N -1.501 118.533 119.950 0.139 0.000 2.611 1440 F HA 0.480 5.008 4.527 0.001 0.000 0.321 1440 F C 0.433 176.321 175.800 0.146 0.000 1.208 1440 F CA -0.439 57.663 58.000 0.170 0.000 1.249 1440 F CB 0.182 39.279 39.000 0.162 0.000 1.514 1440 F HN -0.108 nan 8.300 nan 0.000 0.561 1441 M N 0.489 120.276 119.600 0.313 0.000 1.465 1441 M HA 0.006 4.487 4.480 0.002 0.000 0.172 1441 M C 1.216 177.684 176.300 0.280 0.000 1.045 1441 M CA 0.366 55.830 55.300 0.273 0.000 0.720 1441 M CB -0.781 31.948 32.600 0.215 0.000 1.652 1441 M HN 0.286 nan 8.290 nan 0.000 0.631 1442 F N 3.066 123.080 119.950 0.106 0.000 2.225 1442 F HA -0.190 4.338 4.527 0.001 0.000 0.302 1442 F C 1.585 177.564 175.800 0.298 0.000 1.068 1442 F CA 2.585 60.655 58.000 0.117 0.000 1.327 1442 F CB -0.322 38.676 39.000 -0.003 0.000 1.043 1442 F HN 0.344 nan 8.300 nan 0.000 0.506 1443 E N 0.839 120.927 120.200 -0.187 0.000 2.001 1443 E HA -0.194 4.157 4.350 0.002 0.000 0.193 1443 E C 0.318 176.873 176.600 -0.074 0.000 0.994 1443 E CA 1.193 57.434 56.400 -0.264 0.000 0.815 1443 E CB -0.614 29.087 29.700 0.002 0.000 0.770 1443 E HN 0.523 nan 8.360 nan 0.000 0.453 1444 N N 0.395 119.123 118.700 0.047 0.000 2.424 1444 N HA 0.135 4.876 4.740 0.002 0.000 0.271 1444 N C -0.511 175.065 175.510 0.110 0.000 0.985 1444 N CA -0.451 52.584 53.050 -0.025 0.000 0.921 1444 N CB 0.908 39.388 38.487 -0.012 0.000 1.149 1444 N HN 0.177 nan 8.380 nan 0.000 0.492 1445 F N -0.201 119.746 119.950 -0.006 0.000 3.021 1445 F HA 0.420 4.948 4.527 0.002 0.000 0.376 1445 F C 0.106 175.912 175.800 0.009 0.000 1.075 1445 F CA -0.651 57.358 58.000 0.015 0.000 1.073 1445 F CB -0.147 38.869 39.000 0.027 0.000 1.243 1445 F HN 0.204 nan 8.300 nan 0.000 0.540 1446 N N 1.080 119.503 118.700 -0.461 0.000 2.333 1446 N HA 0.469 5.210 4.740 0.002 0.000 0.178 1446 N C 1.185 176.629 175.510 -0.110 0.000 1.018 1446 N CA 1.140 54.008 53.050 -0.305 0.000 0.882 1446 N CB 0.210 38.424 38.487 -0.454 0.000 0.984 1446 N HN 0.576 nan 8.380 nan 0.000 0.434 1447 G N -1.111 107.636 108.800 -0.090 0.000 2.623 1447 G HA2 0.168 4.129 3.960 0.002 0.000 0.085 1447 G HA3 0.168 4.129 3.960 0.002 0.000 0.085 1447 G C -1.467 173.424 174.900 -0.015 0.000 1.116 1447 G CA -0.488 44.596 45.100 -0.027 0.000 1.200 1447 G HN 0.007 nan 8.290 nan 0.000 0.556 1448 T N 3.128 117.696 114.554 0.023 0.000 2.772 1448 T HA 0.535 4.886 4.350 0.002 0.000 0.288 1448 T C -1.691 173.035 174.700 0.044 0.000 0.994 1448 T CA -0.904 61.217 62.100 0.034 0.000 0.951 1448 T CB 2.364 71.258 68.868 0.043 0.000 0.933 1448 T HN 0.131 nan 8.240 nan 0.000 0.447 1449 P HA -0.165 nan 4.420 nan 0.000 0.212 1449 P C 1.661 178.926 177.300 -0.057 0.000 1.174 1449 P CA 0.569 63.640 63.100 -0.048 0.000 0.934 1449 P CB 0.089 31.772 31.700 -0.029 0.000 0.791 1450 L N -2.091 119.127 121.223 -0.008 0.000 2.042 1450 L HA -0.144 4.197 4.340 0.002 0.000 0.210 1450 L C 2.380 179.285 176.870 0.058 0.000 1.076 1450 L CA 1.701 56.537 54.840 -0.007 0.000 0.749 1450 L CB -1.494 40.606 42.059 0.068 0.000 0.893 1450 L HN -0.115 nan 8.230 nan 0.000 0.432 1451 F N -0.131 119.817 119.950 -0.003 0.000 2.060 1451 F HA -0.120 4.408 4.527 0.002 0.000 0.295 1451 F C 2.337 178.151 175.800 0.023 0.000 1.120 1451 F CA 1.659 59.690 58.000 0.053 0.000 1.205 1451 F CB -0.645 38.372 39.000 0.028 0.000 0.986 1451 F HN 0.083 nan 8.300 nan 0.000 0.470 1452 A N -0.067 122.787 122.820 0.056 0.000 1.908 1452 A HA -0.145 4.176 4.320 0.002 0.000 0.218 1452 A C 2.293 179.752 177.584 -0.207 0.000 1.181 1452 A CA 1.967 53.947 52.037 -0.096 0.000 0.627 1452 A CB -1.455 17.532 19.000 -0.022 0.000 0.818 1452 A HN 0.315 nan 8.150 nan 0.000 0.445 1453 V N -1.537 118.245 119.914 -0.221 0.000 2.407 1453 V HA -0.249 3.872 4.120 0.002 0.000 0.248 1453 V C 2.235 178.151 176.094 -0.296 0.000 1.055 1453 V CA 2.155 64.252 62.300 -0.338 0.000 1.049 1453 V CB -0.730 30.778 31.823 -0.525 0.000 0.662 1453 V HN 0.679 nan 8.190 nan 0.000 0.455 1454 F N 0.362 120.078 119.950 -0.390 0.000 2.293 1454 F HA 0.051 4.579 4.527 0.002 0.000 0.297 1454 F C 2.275 177.930 175.800 -0.241 0.000 1.089 1454 F CA 0.883 58.763 58.000 -0.200 0.000 1.377 1454 F CB -0.081 38.883 39.000 -0.060 0.000 1.051 1454 F HN 0.107 nan 8.300 nan 0.000 0.511 1455 A N 0.460 122.997 122.820 -0.473 0.000 1.902 1455 A HA -0.114 4.207 4.320 0.002 0.000 0.217 1455 A C 2.248 179.626 177.584 -0.343 0.000 1.181 1455 A CA 1.590 53.307 52.037 -0.533 0.000 0.623 1455 A CB -1.337 17.309 19.000 -0.590 0.000 0.818 1455 A HN 0.430 nan 8.150 nan 0.000 0.443 1456 A N -1.676 120.989 122.820 -0.257 0.000 2.119 1456 A HA 0.047 4.368 4.320 0.002 0.000 0.217 1456 A C 2.177 179.665 177.584 -0.161 0.000 1.153 1456 A CA 1.916 53.848 52.037 -0.176 0.000 0.692 1456 A CB -0.791 18.121 19.000 -0.145 0.000 0.799 1456 A HN 0.403 nan 8.150 nan 0.000 0.458 1457 T N -0.181 114.267 114.554 -0.176 0.000 2.851 1457 T HA -0.036 4.315 4.350 0.002 0.000 0.262 1457 T C 1.905 176.510 174.700 -0.158 0.000 1.043 1457 T CA 1.341 63.393 62.100 -0.080 0.000 1.140 1457 T CB -0.269 68.705 68.868 0.177 0.000 0.872 1457 T HN 0.431 nan 8.240 nan 0.000 0.446 1458 M N 0.894 120.278 119.600 -0.361 0.000 2.346 1458 M HA -0.112 4.369 4.480 0.002 0.000 0.263 1458 M C 2.288 178.472 176.300 -0.194 0.000 1.064 1458 M CA 1.248 56.346 55.300 -0.337 0.000 1.083 1458 M CB -0.752 31.563 32.600 -0.476 0.000 1.399 1458 M HN 0.201 nan 8.290 nan 0.000 0.435 1459 T N -0.127 114.322 114.554 -0.175 0.000 2.896 1459 T HA -0.023 4.328 4.350 0.002 0.000 0.263 1459 T C 1.903 176.532 174.700 -0.118 0.000 1.050 1459 T CA 1.008 63.029 62.100 -0.132 0.000 1.140 1459 T CB 0.010 68.806 68.868 -0.119 0.000 0.877 1459 T HN 0.410 nan 8.240 nan 0.000 0.457 1460 R N 0.507 120.939 120.500 -0.112 0.000 2.112 1460 R HA 0.152 4.493 4.340 0.002 0.000 0.216 1460 R C -0.115 176.124 176.300 -0.102 0.000 1.080 1460 R CA 0.685 56.718 56.100 -0.112 0.000 0.996 1460 R CB 0.197 30.436 30.300 -0.103 0.000 0.902 1460 R HN 0.339 nan 8.270 nan 0.000 0.449 1461 D N 0.126 120.484 120.400 -0.069 0.000 2.340 1461 D HA 0.080 4.721 4.640 0.002 0.000 0.240 1461 D C -1.208 175.076 176.300 -0.027 0.000 1.001 1461 D CA -0.562 53.414 54.000 -0.040 0.000 0.888 1461 D CB 1.499 42.306 40.800 0.013 0.000 1.310 1461 D HN -0.156 nan 8.370 nan 0.000 0.474 1462 D N 1.463 121.857 120.400 -0.010 0.000 2.365 1462 D HA 0.149 4.790 4.640 0.002 0.000 0.237 1462 D C -0.479 175.869 176.300 0.080 0.000 1.190 1462 D CA -0.161 53.845 54.000 0.011 0.000 0.867 1462 D CB 0.837 41.641 40.800 0.007 0.000 1.050 1462 D HN 0.236 nan 8.370 nan 0.000 0.491 1463 M N 2.371 122.023 119.600 0.087 0.000 2.655 1463 M HA 0.104 4.585 4.480 0.002 0.000 0.311 1463 M C 0.188 176.591 176.300 0.171 0.000 1.229 1463 M CA -0.285 55.136 55.300 0.202 0.000 0.972 1463 M CB 0.090 32.840 32.600 0.249 0.000 1.366 1463 M HN 0.311 nan 8.290 nan 0.000 0.500 1464 S N -1.165 114.606 115.700 0.119 0.000 2.694 1464 S HA 0.663 5.134 4.470 0.002 0.000 0.278 1464 S C 1.337 176.027 174.600 0.150 0.000 1.152 1464 S CA -0.270 57.993 58.200 0.106 0.000 1.010 1464 S CB 0.926 64.161 63.200 0.059 0.000 1.104 1464 S HN 0.274 nan 8.310 nan 0.000 0.547 1465 A N -0.233 122.668 122.820 0.135 0.000 2.119 1465 A HA 0.374 4.695 4.320 0.002 0.000 0.217 1465 A C 2.033 179.784 177.584 0.277 0.000 1.153 1465 A CA 1.119 53.268 52.037 0.187 0.000 0.692 1465 A CB -1.335 17.749 19.000 0.140 0.000 0.799 1465 A HN 1.218 nan 8.150 nan 0.000 0.458 1466 A N -0.451 122.466 122.820 0.161 0.000 2.218 1466 A HA 0.465 4.786 4.320 0.002 0.000 0.209 1466 A C 1.476 179.162 177.584 0.170 0.000 1.168 1466 A CA 0.748 52.827 52.037 0.069 0.000 0.804 1466 A CB -0.640 18.332 19.000 -0.046 0.000 0.834 1466 A HN 0.599 nan 8.150 nan 0.000 0.482 1467 G N -1.046 107.885 108.800 0.218 0.000 2.516 1467 G HA2 0.299 4.260 3.960 0.002 0.000 0.276 1467 G HA3 0.299 4.260 3.960 0.002 0.000 0.276 1467 G C 1.192 176.227 174.900 0.225 0.000 1.390 1467 G CA 0.606 45.816 45.100 0.184 0.000 1.050 1467 G HN 0.444 nan 8.290 nan 0.000 0.519 1468 T N -3.103 111.484 114.554 0.054 0.000 2.915 1468 T HA -0.121 4.230 4.350 0.002 0.000 0.269 1468 T C 1.805 176.405 174.700 -0.167 0.000 1.071 1468 T CA 1.329 63.376 62.100 -0.087 0.000 1.132 1468 T CB -0.402 68.321 68.868 -0.243 0.000 0.878 1468 T HN 0.425 nan 8.240 nan 0.000 0.479 1469 Y N 1.518 121.827 120.300 0.016 0.000 2.561 1469 Y HA 0.290 4.841 4.550 0.002 0.000 0.291 1469 Y C 2.700 178.578 175.900 -0.037 0.000 1.141 1469 Y CA 0.129 58.224 58.100 -0.008 0.000 1.303 1469 Y CB -0.207 38.259 38.460 0.011 0.000 1.015 1469 Y HN 0.391 nan 8.280 nan 0.000 0.547 1470 G N -0.291 108.567 108.800 0.096 0.000 2.551 1470 G HA2 -0.154 3.807 3.960 0.002 0.000 0.216 1470 G HA3 -0.154 3.807 3.960 0.002 0.000 0.216 1470 G C 1.578 176.246 174.900 -0.386 0.000 1.137 1470 G CA 0.241 45.366 45.100 0.041 0.000 0.798 1470 G HN 0.265 nan 8.290 nan 0.000 0.536 1471 K N -0.093 119.798 120.400 -0.847 0.000 1.973 1471 K HA -0.036 4.285 4.320 0.002 0.000 0.212 1471 K C 2.032 178.420 176.600 -0.355 0.000 1.047 1471 K CA 1.075 56.650 56.287 -1.187 0.000 0.937 1471 K CB -0.385 31.582 32.500 -0.888 0.000 0.721 1471 K HN 0.289 nan 8.250 nan 0.000 0.440 1472 F N 0.789 120.556 119.950 -0.305 0.000 2.075 1472 F HA -0.246 4.282 4.527 0.002 0.000 0.297 1472 F C 2.148 177.881 175.800 -0.113 0.000 1.113 1472 F CA 1.143 59.044 58.000 -0.164 0.000 1.218 1472 F CB -0.148 38.788 39.000 -0.106 0.000 0.984 1472 F HN 0.199 nan 8.300 nan 0.000 0.472 1473 A N -0.489 122.236 122.820 -0.159 0.000 1.940 1473 A HA -0.203 4.118 4.320 0.002 0.000 0.219 1473 A C 2.226 179.731 177.584 -0.131 0.000 1.176 1473 A CA 2.055 53.955 52.037 -0.229 0.000 0.631 1473 A CB -1.119 17.803 19.000 -0.130 0.000 0.814 1473 A HN 0.470 nan 8.150 nan 0.000 0.446 1474 S N -0.497 115.160 115.700 -0.073 0.000 2.368 1474 S HA -0.200 4.271 4.470 0.002 0.000 0.225 1474 S C 2.129 176.730 174.600 0.002 0.000 1.030 1474 S CA 1.625 59.823 58.200 -0.003 0.000 0.999 1474 S CB -0.306 62.940 63.200 0.075 0.000 0.844 1474 S HN 0.735 nan 8.310 nan 0.000 0.459 1475 Q N 0.281 120.081 119.800 0.000 0.000 2.084 1475 Q HA -0.053 4.288 4.340 0.002 0.000 0.202 1475 Q C 2.239 178.238 176.000 -0.002 0.000 0.978 1475 Q CA 1.278 57.099 55.803 0.031 0.000 0.844 1475 Q CB -0.292 28.494 28.738 0.080 0.000 0.898 1475 Q HN 0.341 nan 8.270 nan 0.000 0.426 1476 V N -0.065 119.807 119.914 -0.071 0.000 2.407 1476 V HA -0.255 3.866 4.120 0.002 0.000 0.248 1476 V C 1.910 177.957 176.094 -0.077 0.000 1.055 1476 V CA 1.311 63.542 62.300 -0.114 0.000 1.049 1476 V CB -0.251 31.401 31.823 -0.285 0.000 0.662 1476 V HN 0.494 nan 8.190 nan 0.000 0.455 1477 C N 0.512 119.772 119.300 -0.067 0.000 2.626 1477 C HA 0.435 4.896 4.460 0.002 0.000 0.266 1477 C C 1.893 176.875 174.990 -0.013 0.000 1.317 1477 C CA 0.101 59.095 59.018 -0.040 0.000 1.716 1477 C CB -1.201 26.517 27.740 -0.036 0.000 1.819 1477 C HN 0.830 nan 8.230 nan 0.000 0.578 1478 G N 1.430 110.228 108.800 -0.003 0.000 2.221 1478 G HA2 -0.250 3.711 3.960 0.002 0.000 0.265 1478 G HA3 -0.250 3.711 3.960 0.002 0.000 0.265 1478 G C -0.171 174.743 174.900 0.024 0.000 1.041 1478 G CA -0.016 45.091 45.100 0.012 0.000 0.807 1478 G HN 0.599 nan 8.290 nan 0.000 0.502 1479 I N 0.005 120.596 120.570 0.035 0.000 2.404 1479 I HA 0.317 4.488 4.170 0.002 0.000 0.293 1479 I C 0.689 176.858 176.117 0.087 0.000 0.992 1479 I CA -0.910 60.421 61.300 0.051 0.000 1.149 1479 I CB 1.727 39.757 38.000 0.050 0.000 1.315 1479 I HN 0.215 nan 8.210 nan 0.000 0.446 1480 E N 4.962 125.209 120.200 0.078 0.000 2.415 1480 E HA 0.029 4.380 4.350 0.002 0.000 0.263 1480 E C -1.473 175.219 176.600 0.153 0.000 0.995 1480 E CA 0.026 56.483 56.400 0.095 0.000 0.915 1480 E CB 0.664 30.393 29.700 0.048 0.000 0.951 1480 E HN 0.371 nan 8.360 nan 0.000 0.449 1481 F N 4.093 124.052 119.950 0.015 0.000 2.467 1481 F HA 0.665 5.193 4.527 0.002 0.000 0.336 1481 F C -0.079 175.727 175.800 0.011 0.000 1.123 1481 F CA -0.193 57.817 58.000 0.017 0.000 0.964 1481 F CB 1.437 40.452 39.000 0.026 0.000 1.136 1481 F HN 0.430 nan 8.300 nan 0.000 0.447 1482 G N 0.000 108.313 108.800 -0.811 0.000 5.446 1482 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 1482 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 1482 G CA 0.000 44.690 45.100 -0.683 0.000 0.502 1482 G HN 0.000 nan 8.290 nan 0.000 0.925