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 2zzv_1_B DATA FIRST_RESID 1032 DATA SEQUENCE RRYRWRIQTA WDAGTVGYSL FQKFTERVKE LTDGQLEVQP FPAGAVVGTF DATA SEQUENCE DMFDAVKTGV LDGMNPFTLY WAGRMPVTAF LSSYALGLDR PDQWETWFYS DATA SEQUENCE LGGLDIARRA FAEQGLFYVG PVQHDLNIIH SKKPIRRFED FKGVKLRVPG DATA SEQUENCE GMIAEVFAAA GASTVLLPGG EVYPALERGV IDAADFVGPA VNYNLGFHQV DATA SEQUENCE AKYIIMGPPE TPAIHQPVDL MDFTINLNRW RSLPKPLQER FIAAVHEYSW DATA SEQUENCE IHYAGIQKAN LEAWPKYRQA GVEVIRLSNE DVRKFRRLAI PIWFKWAKMD DATA SEQUENCE KYSREAFASQ LEYMKGIGYV TDEELKGLSL 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 1032 R HA 0.000 nan 4.340 nan 0.000 0.208 1032 R C 0.000 176.158 176.300 -0.237 0.000 0.893 1032 R CA 0.000 55.997 56.100 -0.172 0.000 0.921 1032 R CB 0.000 30.166 30.300 -0.224 0.000 0.687 1033 R N 2.764 123.070 120.500 -0.323 0.000 2.540 1033 R HA 0.388 4.730 4.340 0.003 0.000 0.287 1033 R C -1.129 174.864 176.300 -0.511 0.000 0.980 1033 R CA -0.588 55.349 56.100 -0.272 0.000 0.966 1033 R CB 1.247 31.451 30.300 -0.160 0.000 1.106 1033 R HN 0.408 nan 8.270 nan 0.000 0.480 1034 Y N 0.924 121.108 120.300 -0.193 0.000 2.393 1034 Y HA 0.446 4.998 4.550 0.003 0.000 0.341 1034 Y C 0.160 175.894 175.900 -0.277 0.000 0.988 1034 Y CA -0.842 57.112 58.100 -0.243 0.000 1.078 1034 Y CB 1.859 40.076 38.460 -0.404 0.000 1.203 1034 Y HN 0.246 nan 8.280 nan 0.000 0.453 1035 R N 2.372 122.851 120.500 -0.035 0.000 2.502 1035 R HA 0.374 4.716 4.340 0.003 0.000 0.300 1035 R C -1.897 174.549 176.300 0.244 0.000 0.984 1035 R CA -0.710 55.400 56.100 0.017 0.000 0.882 1035 R CB 1.694 32.020 30.300 0.044 0.000 1.180 1035 R HN 0.527 nan 8.270 nan 0.000 0.444 1036 W N 2.633 123.975 121.300 0.070 0.000 2.587 1036 W HA 0.451 5.113 4.660 0.003 0.000 0.324 1036 W C 0.204 176.826 176.519 0.172 0.000 1.040 1036 W CA -1.137 56.266 57.345 0.097 0.000 1.222 1036 W CB 1.164 30.659 29.460 0.058 0.000 1.381 1036 W HN 0.260 nan 8.180 nan 0.000 0.483 1037 R N 3.570 124.323 120.500 0.421 0.000 2.221 1037 R HA 0.572 4.914 4.340 0.003 0.000 0.327 1037 R C -0.456 176.102 176.300 0.430 0.000 1.033 1037 R CA -0.537 55.846 56.100 0.473 0.000 0.887 1037 R CB 0.997 31.499 30.300 0.337 0.000 1.057 1037 R HN 0.376 nan 8.270 nan 0.000 0.455 1038 I N 2.637 123.555 120.570 0.580 0.000 2.447 1038 I HA 0.192 4.364 4.170 0.003 0.000 0.287 1038 I C -0.228 176.277 176.117 0.647 0.000 1.023 1038 I CA -0.693 60.937 61.300 0.550 0.000 1.083 1038 I CB 2.208 40.624 38.000 0.694 0.000 1.245 1038 I HN 0.444 nan 8.210 nan 0.000 0.434 1039 Q N 4.055 124.089 119.800 0.389 0.000 2.230 1039 Q HA 0.441 4.783 4.340 0.003 0.000 0.253 1039 Q C -0.698 175.310 176.000 0.014 0.000 0.919 1039 Q CA -0.319 55.662 55.803 0.298 0.000 0.908 1039 Q CB 2.167 31.015 28.738 0.183 0.000 1.245 1039 Q HN 0.664 nan 8.270 nan 0.000 0.437 1040 T N 0.995 115.438 114.554 -0.184 0.000 2.945 1040 T HA 0.561 4.913 4.350 0.003 0.000 0.286 1040 T C 0.559 175.116 174.700 -0.239 0.000 1.025 1040 T CA 0.127 61.929 62.100 -0.495 0.000 1.039 1040 T CB 1.294 69.556 68.868 -1.010 0.000 1.068 1040 T HN 0.699 nan 8.240 nan 0.000 0.497 1041 A N 2.349 124.951 122.820 -0.363 0.000 2.168 1041 A HA 0.165 4.487 4.320 0.003 0.000 0.215 1041 A C 0.559 178.144 177.584 0.003 0.000 1.152 1041 A CA -0.056 51.881 52.037 -0.167 0.000 0.716 1041 A CB -0.570 18.278 19.000 -0.254 0.000 0.794 1041 A HN 0.830 nan 8.150 nan 0.000 0.465 1042 W N 1.462 122.756 121.300 -0.011 0.000 2.266 1042 W HA 0.204 4.867 4.660 0.005 0.000 0.317 1042 W C -0.224 176.346 176.519 0.083 0.000 1.310 1042 W CA -1.046 56.371 57.345 0.120 0.000 1.207 1042 W CB 0.527 30.080 29.460 0.154 0.000 1.199 1042 W HN 0.192 nan 8.180 nan 0.000 0.544 1043 D N 1.827 122.473 120.400 0.410 0.000 2.344 1043 D HA 0.245 4.887 4.640 0.003 0.000 0.244 1043 D C 0.202 176.520 176.300 0.029 0.000 1.134 1043 D CA 0.018 54.102 54.000 0.140 0.000 0.930 1043 D CB 1.193 42.068 40.800 0.125 0.000 1.175 1043 D HN 0.396 nan 8.370 nan 0.000 0.437 1044 A N 0.206 122.935 122.820 -0.153 0.000 2.466 1044 A HA 0.423 4.744 4.320 0.003 0.000 0.238 1044 A C 1.283 178.860 177.584 -0.010 0.000 1.074 1044 A CA 0.606 52.522 52.037 -0.202 0.000 0.774 1044 A CB 0.079 18.958 19.000 -0.202 0.000 1.015 1044 A HN 0.802 nan 8.150 nan 0.000 0.498 1045 G N 0.602 109.443 108.800 0.068 0.000 2.143 1045 G HA2 -0.117 3.845 3.960 0.003 0.000 0.248 1045 G HA3 -0.117 3.845 3.960 0.003 0.000 0.248 1045 G C 0.395 175.316 174.900 0.035 0.000 0.991 1045 G CA 1.207 46.337 45.100 0.049 0.000 0.689 1045 G HN 2.207 nan 8.290 nan 0.000 0.522 1046 T N -3.690 110.899 114.554 0.059 0.000 2.932 1046 T HA 0.661 5.013 4.350 0.003 0.000 0.289 1046 T C 1.232 175.877 174.700 -0.092 0.000 1.039 1046 T CA 0.209 62.288 62.100 -0.036 0.000 1.024 1046 T CB 2.176 71.005 68.868 -0.064 0.000 1.090 1046 T HN 1.058 nan 8.240 nan 0.000 0.496 1047 V N 1.864 121.657 119.914 -0.200 0.000 2.490 1047 V HA 0.070 4.192 4.120 0.003 0.000 0.250 1047 V C 2.334 178.233 176.094 -0.326 0.000 1.061 1047 V CA 2.737 64.909 62.300 -0.213 0.000 1.064 1047 V CB -1.267 30.421 31.823 -0.226 0.000 0.670 1047 V HN 1.104 nan 8.190 nan 0.000 0.461 1048 G N -1.463 106.893 108.800 -0.739 0.000 2.446 1048 G HA2 -0.348 3.614 3.960 0.003 0.000 0.217 1048 G HA3 -0.348 3.614 3.960 0.003 0.000 0.217 1048 G C 1.529 176.237 174.900 -0.320 0.000 1.168 1048 G CA 1.222 45.586 45.100 -1.227 0.000 0.771 1048 G HN 0.613 nan 8.290 nan 0.000 0.551 1049 Y N 2.062 122.266 120.300 -0.160 0.000 2.224 1049 Y HA -0.095 4.457 4.550 0.002 0.000 0.289 1049 Y C 3.120 179.157 175.900 0.227 0.000 1.146 1049 Y CA 1.416 59.638 58.100 0.203 0.000 1.182 1049 Y CB -0.271 38.301 38.460 0.186 0.000 0.983 1049 Y HN 0.226 nan 8.280 nan 0.000 0.524 1050 S N 0.326 116.044 115.700 0.031 0.000 2.370 1050 S HA -0.206 4.266 4.470 0.003 0.000 0.226 1050 S C 2.083 176.697 174.600 0.023 0.000 1.033 1050 S CA 1.662 59.851 58.200 -0.019 0.000 1.011 1050 S CB -0.600 62.603 63.200 0.005 0.000 0.852 1050 S HN 0.448 nan 8.310 nan 0.000 0.457 1051 L N -0.154 121.137 121.223 0.113 0.000 2.046 1051 L HA -0.083 4.259 4.340 0.003 0.000 0.208 1051 L C 2.228 179.358 176.870 0.434 0.000 1.077 1051 L CA 1.243 56.254 54.840 0.285 0.000 0.747 1051 L CB -0.477 41.791 42.059 0.349 0.000 0.896 1051 L HN 0.275 nan 8.230 nan 0.000 0.432 1052 F N 0.759 120.857 119.950 0.247 0.000 2.171 1052 F HA -0.226 4.302 4.527 0.002 0.000 0.300 1052 F C 2.565 178.365 175.800 -0.001 0.000 1.090 1052 F CA 1.529 59.641 58.000 0.187 0.000 1.293 1052 F CB -0.221 38.921 39.000 0.237 0.000 1.013 1052 F HN 0.048 nan 8.300 nan 0.000 0.486 1053 Q N 0.224 119.891 119.800 -0.221 0.000 2.084 1053 Q HA -0.217 4.125 4.340 0.003 0.000 0.202 1053 Q C 2.180 178.058 176.000 -0.204 0.000 0.978 1053 Q CA 1.855 57.463 55.803 -0.325 0.000 0.844 1053 Q CB -0.223 28.334 28.738 -0.301 0.000 0.898 1053 Q HN 0.428 nan 8.270 nan 0.000 0.426 1054 K N -0.013 120.342 120.400 -0.076 0.000 2.147 1054 K HA -0.160 4.161 4.320 0.003 0.000 0.205 1054 K C 1.840 178.408 176.600 -0.054 0.000 1.049 1054 K CA 1.072 57.340 56.287 -0.031 0.000 0.936 1054 K CB -0.213 32.322 32.500 0.058 0.000 0.722 1054 K HN 0.122 nan 8.250 nan 0.000 0.446 1055 F N 2.358 122.150 119.950 -0.264 0.000 2.126 1055 F HA -0.263 4.266 4.527 0.003 0.000 0.299 1055 F C 2.401 177.975 175.800 -0.378 0.000 1.096 1055 F CA 2.086 59.815 58.000 -0.451 0.000 1.255 1055 F CB -0.907 37.467 39.000 -1.044 0.000 0.997 1055 F HN 0.079 nan 8.300 nan 0.000 0.479 1056 T N -2.130 112.090 114.554 -0.556 0.000 2.788 1056 T HA -0.218 4.133 4.350 0.003 0.000 0.268 1056 T C 1.721 176.178 174.700 -0.404 0.000 1.044 1056 T CA 1.712 63.480 62.100 -0.552 0.000 1.139 1056 T CB -0.725 67.905 68.868 -0.396 0.000 0.867 1056 T HN 0.527 nan 8.240 nan 0.000 0.454 1057 E N 0.582 120.609 120.200 -0.289 0.000 2.106 1057 E HA -0.067 4.285 4.350 0.003 0.000 0.192 1057 E C 2.461 178.936 176.600 -0.208 0.000 0.984 1057 E CA 0.843 57.122 56.400 -0.201 0.000 0.806 1057 E CB -0.140 29.482 29.700 -0.131 0.000 0.750 1057 E HN 0.311 nan 8.360 nan 0.000 0.458 1058 R N 0.989 121.345 120.500 -0.240 0.000 2.092 1058 R HA -0.100 4.242 4.340 0.003 0.000 0.231 1058 R C 2.020 178.157 176.300 -0.272 0.000 1.119 1058 R CA 1.027 57.009 56.100 -0.196 0.000 0.970 1058 R CB -0.703 29.530 30.300 -0.112 0.000 0.864 1058 R HN 0.029 nan 8.270 nan 0.000 0.440 1059 V N 1.160 120.788 119.914 -0.477 0.000 2.343 1059 V HA -0.238 3.884 4.120 0.003 0.000 0.247 1059 V C 2.415 178.364 176.094 -0.242 0.000 1.051 1059 V CA 2.208 64.262 62.300 -0.410 0.000 1.036 1059 V CB -0.557 30.943 31.823 -0.539 0.000 0.654 1059 V HN 0.426 nan 8.190 nan 0.000 0.451 1060 K N 0.167 120.427 120.400 -0.233 0.000 2.057 1060 K HA -0.273 4.049 4.320 0.003 0.000 0.207 1060 K C 2.222 178.746 176.600 -0.127 0.000 1.049 1060 K CA 2.129 58.318 56.287 -0.164 0.000 0.931 1060 K CB -0.160 32.250 32.500 -0.149 0.000 0.714 1060 K HN 0.602 nan 8.250 nan 0.000 0.440 1061 E N 0.547 120.673 120.200 -0.123 0.000 2.051 1061 E HA -0.176 4.176 4.350 0.003 0.000 0.192 1061 E C 2.000 178.554 176.600 -0.078 0.000 0.991 1061 E CA 1.046 57.393 56.400 -0.089 0.000 0.799 1061 E CB -0.042 29.611 29.700 -0.078 0.000 0.748 1061 E HN 0.353 nan 8.360 nan 0.000 0.449 1062 L N 0.448 121.618 121.223 -0.088 0.000 2.275 1062 L HA -0.065 4.277 4.340 0.003 0.000 0.215 1062 L C 2.181 179.013 176.870 -0.063 0.000 1.119 1062 L CA 1.447 56.248 54.840 -0.066 0.000 0.790 1062 L CB -0.149 41.873 42.059 -0.062 0.000 0.919 1062 L HN 0.320 nan 8.230 nan 0.000 0.443 1063 T N -6.082 108.422 114.554 -0.082 0.000 3.129 1063 T HA 0.091 4.442 4.350 0.003 0.000 0.267 1063 T C 0.347 175.001 174.700 -0.075 0.000 1.018 1063 T CA -0.397 61.654 62.100 -0.082 0.000 0.903 1063 T CB 0.051 68.853 68.868 -0.110 0.000 1.067 1063 T HN 0.157 nan 8.240 nan 0.000 0.549 1064 D N 1.548 121.907 120.400 -0.069 0.000 2.708 1064 D HA -0.182 4.459 4.640 0.003 0.000 0.236 1064 D C 1.352 177.613 176.300 -0.065 0.000 1.146 1064 D CA 1.524 55.488 54.000 -0.060 0.000 0.662 1064 D CB -1.703 39.068 40.800 -0.049 0.000 1.059 1064 D HN 0.947 nan 8.370 nan 0.000 0.428 1065 G N -0.355 108.397 108.800 -0.080 0.000 2.184 1065 G HA2 -0.449 3.513 3.960 0.003 0.000 0.264 1065 G HA3 -0.449 3.513 3.960 0.003 0.000 0.264 1065 G C 0.983 175.833 174.900 -0.084 0.000 0.975 1065 G CA 0.845 45.895 45.100 -0.083 0.000 0.642 1065 G HN 0.509 nan 8.290 nan 0.000 0.536 1066 Q N -1.274 118.479 119.800 -0.077 0.000 2.224 1066 Q HA 0.247 4.589 4.340 0.003 0.000 0.203 1066 Q C 0.881 176.843 176.000 -0.063 0.000 0.970 1066 Q CA 1.107 56.879 55.803 -0.052 0.000 0.865 1066 Q CB 0.210 28.926 28.738 -0.036 0.000 0.922 1066 Q HN 0.590 nan 8.270 nan 0.000 0.445 1067 L N 0.672 121.802 121.223 -0.154 0.000 2.406 1067 L HA 0.368 4.710 4.340 0.003 0.000 0.272 1067 L C -1.440 175.279 176.870 -0.251 0.000 0.980 1067 L CA -0.232 54.440 54.840 -0.281 0.000 0.831 1067 L CB 1.935 43.727 42.059 -0.446 0.000 1.253 1067 L HN -0.150 nan 8.230 nan 0.000 0.406 1068 E N 3.514 123.574 120.200 -0.233 0.000 2.238 1068 E HA 0.627 4.979 4.350 0.003 0.000 0.267 1068 E C -1.442 175.087 176.600 -0.117 0.000 0.887 1068 E CA -0.945 55.357 56.400 -0.164 0.000 0.769 1068 E CB 2.823 32.457 29.700 -0.110 0.000 1.187 1068 E HN 0.395 nan 8.360 nan 0.000 0.416 1069 V N 2.769 122.631 119.914 -0.087 0.000 2.417 1069 V HA 0.182 4.304 4.120 0.003 0.000 0.291 1069 V C -0.312 175.792 176.094 0.018 0.000 1.024 1069 V CA -0.619 61.705 62.300 0.040 0.000 0.861 1069 V CB 1.554 33.410 31.823 0.055 0.000 0.985 1069 V HN 0.626 nan 8.190 nan 0.000 0.436 1070 Q N 7.450 127.324 119.800 0.123 0.000 2.360 1070 Q HA 0.368 4.710 4.340 0.003 0.000 0.254 1070 Q C -2.461 173.561 176.000 0.036 0.000 0.975 1070 Q CA -1.812 54.014 55.803 0.039 0.000 0.912 1070 Q CB 1.813 30.635 28.738 0.140 0.000 1.212 1070 Q HN 0.484 nan 8.270 nan 0.000 0.452 1071 P HA 0.222 nan 4.420 nan 0.000 0.282 1071 P C -1.231 176.025 177.300 -0.074 0.000 1.249 1071 P CA -0.128 63.057 63.100 0.142 0.000 0.806 1071 P CB 0.675 32.384 31.700 0.015 0.000 0.984 1072 F N 2.465 122.777 119.950 0.603 0.000 2.561 1072 F HA 0.399 4.928 4.527 0.003 0.000 0.313 1072 F C -1.983 174.005 175.800 0.315 0.000 1.126 1072 F CA -2.155 56.072 58.000 0.378 0.000 0.918 1072 F CB 2.441 41.576 39.000 0.225 0.000 1.199 1072 F HN 0.177 nan 8.300 nan 0.000 0.444 1073 P HA 0.238 nan 4.420 nan 0.000 0.276 1073 P C -0.776 176.516 177.300 -0.013 0.000 1.261 1073 P CA -0.388 62.567 63.100 -0.242 0.000 0.800 1073 P CB 0.816 32.069 31.700 -0.745 0.000 1.066 1074 A N 0.300 123.109 122.820 -0.018 0.000 2.567 1074 A HA 0.363 4.685 4.320 0.003 0.000 0.240 1074 A C 1.522 179.101 177.584 -0.009 0.000 1.053 1074 A CA 0.929 52.970 52.037 0.007 0.000 0.755 1074 A CB -1.774 17.243 19.000 0.028 0.000 0.978 1074 A HN 0.898 nan 8.150 nan 0.000 0.507 1075 G N 0.980 109.777 108.800 -0.006 0.000 2.205 1075 G HA2 -0.083 3.879 3.960 0.003 0.000 0.261 1075 G HA3 -0.083 3.879 3.960 0.003 0.000 0.261 1075 G C 1.217 176.123 174.900 0.009 0.000 0.980 1075 G CA 1.223 46.315 45.100 -0.013 0.000 0.632 1075 G HN 1.998 nan 8.290 nan 0.000 0.533 1076 A N -0.688 122.160 122.820 0.047 0.000 1.930 1076 A HA 0.365 4.687 4.320 0.003 0.000 0.217 1076 A C 2.501 180.096 177.584 0.017 0.000 1.175 1076 A CA 2.865 54.954 52.037 0.087 0.000 0.627 1076 A CB -0.206 18.943 19.000 0.248 0.000 0.815 1076 A HN 1.107 nan 8.150 nan 0.000 0.443 1077 V N -1.568 118.313 119.914 -0.055 0.000 2.806 1077 V HA 0.170 4.291 4.120 0.003 0.000 0.239 1077 V C 0.731 176.784 176.094 -0.068 0.000 1.113 1077 V CA 1.162 63.377 62.300 -0.142 0.000 1.137 1077 V CB 0.368 32.010 31.823 -0.301 0.000 0.865 1077 V HN 0.553 nan 8.190 nan 0.000 0.482 1078 V N -3.031 116.863 119.914 -0.034 0.000 3.206 1078 V HA 0.937 5.059 4.120 0.003 0.000 0.305 1078 V C 0.110 176.205 176.094 0.000 0.000 1.257 1078 V CA -0.437 61.858 62.300 -0.008 0.000 1.057 1078 V CB 0.968 32.796 31.823 0.008 0.000 1.075 1078 V HN 0.259 nan 8.190 nan 0.000 0.443 1079 G N 0.249 109.051 108.800 0.003 0.000 2.594 1079 G HA2 0.404 4.366 3.960 0.003 0.000 0.243 1079 G HA3 0.404 4.366 3.960 0.003 0.000 0.243 1079 G C 0.732 175.613 174.900 -0.031 0.000 1.229 1079 G CA 0.572 45.653 45.100 -0.032 0.000 0.843 1079 G HN 1.079 nan 8.290 nan 0.000 0.578 1080 T N 1.352 115.811 114.554 -0.158 0.000 2.665 1080 T HA -0.186 4.166 4.350 0.003 0.000 0.268 1080 T C 1.932 176.661 174.700 0.049 0.000 1.035 1080 T CA 1.721 63.729 62.100 -0.154 0.000 1.151 1080 T CB -0.336 68.272 68.868 -0.434 0.000 0.862 1080 T HN 0.462 nan 8.240 nan 0.000 0.438 1081 F N 1.088 121.105 119.950 0.111 0.000 2.699 1081 F HA 0.031 4.560 4.527 0.003 0.000 0.298 1081 F C 1.855 177.842 175.800 0.311 0.000 1.154 1081 F CA -0.060 58.081 58.000 0.234 0.000 1.457 1081 F CB -0.033 39.002 39.000 0.058 0.000 1.106 1081 F HN 0.091 nan 8.300 nan 0.000 0.585 1082 D N -0.130 120.462 120.400 0.319 0.000 2.339 1082 D HA 0.036 4.678 4.640 0.003 0.000 0.217 1082 D C 2.082 178.487 176.300 0.176 0.000 1.050 1082 D CA 0.350 54.475 54.000 0.209 0.000 0.856 1082 D CB 0.040 40.912 40.800 0.121 0.000 0.922 1082 D HN 0.331 nan 8.370 nan 0.000 0.518 1083 M N -0.383 119.369 119.600 0.252 0.000 2.159 1083 M HA -0.122 4.359 4.480 0.003 0.000 0.263 1083 M C 1.979 178.310 176.300 0.053 0.000 1.063 1083 M CA 1.065 56.471 55.300 0.177 0.000 1.110 1083 M CB -0.279 32.489 32.600 0.281 0.000 1.374 1083 M HN 0.002 nan 8.290 nan 0.000 0.411 1084 F N 1.787 121.541 119.950 -0.326 0.000 2.065 1084 F HA -0.319 4.210 4.527 0.003 0.000 0.298 1084 F C 2.028 177.660 175.800 -0.279 0.000 1.112 1084 F CA 1.892 59.527 58.000 -0.608 0.000 1.212 1084 F CB -0.150 38.122 39.000 -1.214 0.000 0.975 1084 F HN 0.161 nan 8.300 nan 0.000 0.476 1085 D N 0.281 120.772 120.400 0.151 0.000 2.178 1085 D HA -0.116 4.526 4.640 0.003 0.000 0.202 1085 D C 2.334 178.636 176.300 0.002 0.000 0.974 1085 D CA 1.230 55.287 54.000 0.095 0.000 0.841 1085 D CB -0.549 40.313 40.800 0.104 0.000 0.953 1085 D HN 0.406 nan 8.370 nan 0.000 0.478 1086 A N 0.769 123.590 122.820 0.001 0.000 1.902 1086 A HA -0.140 4.181 4.320 0.003 0.000 0.217 1086 A C 2.521 180.070 177.584 -0.057 0.000 1.181 1086 A CA 1.226 53.251 52.037 -0.019 0.000 0.623 1086 A CB -0.640 18.356 19.000 -0.006 0.000 0.818 1086 A HN 0.150 nan 8.150 nan 0.000 0.443 1087 V N 0.055 119.910 119.914 -0.099 0.000 2.407 1087 V HA -0.197 3.925 4.120 0.003 0.000 0.245 1087 V C 2.475 178.472 176.094 -0.161 0.000 1.041 1087 V CA 2.115 64.332 62.300 -0.138 0.000 1.040 1087 V CB -0.620 31.095 31.823 -0.181 0.000 0.671 1087 V HN 0.678 nan 8.190 nan 0.000 0.455 1088 K N 0.834 121.111 120.400 -0.206 0.000 2.063 1088 K HA -0.219 4.103 4.320 0.003 0.000 0.208 1088 K C 1.981 178.531 176.600 -0.082 0.000 1.048 1088 K CA 2.091 58.274 56.287 -0.174 0.000 0.928 1088 K CB -0.240 32.156 32.500 -0.174 0.000 0.713 1088 K HN 0.657 nan 8.250 nan 0.000 0.442 1089 T N -3.606 110.914 114.554 -0.057 0.000 3.129 1089 T HA 0.222 4.574 4.350 0.003 0.000 0.251 1089 T C 1.210 175.892 174.700 -0.030 0.000 1.117 1089 T CA 0.474 62.556 62.100 -0.029 0.000 1.034 1089 T CB 0.440 69.300 68.868 -0.012 0.000 0.968 1089 T HN 0.425 nan 8.240 nan 0.000 0.526 1090 G N 0.470 109.241 108.800 -0.047 0.000 2.176 1090 G HA2 -0.319 3.643 3.960 0.003 0.000 0.253 1090 G HA3 -0.319 3.643 3.960 0.003 0.000 0.253 1090 G C 0.898 175.779 174.900 -0.031 0.000 0.979 1090 G CA 0.199 45.275 45.100 -0.039 0.000 0.641 1090 G HN 0.498 nan 8.290 nan 0.000 0.530 1091 V N 0.092 119.986 119.914 -0.033 0.000 2.407 1091 V HA 0.123 4.245 4.120 0.003 0.000 0.248 1091 V C 1.633 177.699 176.094 -0.047 0.000 1.055 1091 V CA 2.012 64.291 62.300 -0.035 0.000 1.049 1091 V CB -0.187 31.616 31.823 -0.033 0.000 0.662 1091 V HN 0.437 nan 8.190 nan 0.000 0.455 1092 L N -0.452 120.742 121.223 -0.048 0.000 2.342 1092 L HA 0.402 4.743 4.340 0.003 0.000 0.271 1092 L C 0.728 177.568 176.870 -0.050 0.000 1.008 1092 L CA -0.523 54.294 54.840 -0.037 0.000 0.818 1092 L CB 1.958 44.003 42.059 -0.024 0.000 1.296 1092 L HN 0.045 nan 8.230 nan 0.000 0.427 1093 D N 1.244 121.623 120.400 -0.035 0.000 2.249 1093 D HA 0.116 4.758 4.640 0.003 0.000 0.205 1093 D C 0.581 176.733 176.300 -0.247 0.000 0.962 1093 D CA 0.658 54.551 54.000 -0.178 0.000 0.860 1093 D CB 0.991 41.671 40.800 -0.199 0.000 0.955 1093 D HN 0.674 nan 8.370 nan 0.000 0.505 1094 G N 0.127 108.888 108.800 -0.065 0.000 2.608 1094 G HA2 0.586 4.548 3.960 0.003 0.000 0.291 1094 G HA3 0.586 4.548 3.960 0.003 0.000 0.291 1094 G C -1.352 173.597 174.900 0.081 0.000 1.425 1094 G CA -0.706 44.383 45.100 -0.018 0.000 0.787 1094 G HN 0.035 nan 8.290 nan 0.000 0.484 1095 M N -0.586 119.046 119.600 0.053 0.000 2.575 1095 M HA 0.590 5.072 4.480 0.003 0.000 0.284 1095 M C -1.602 174.576 176.300 -0.204 0.000 1.253 1095 M CA -0.972 54.330 55.300 0.003 0.000 0.861 1095 M CB 2.713 35.341 32.600 0.047 0.000 1.733 1095 M HN 0.463 nan 8.290 nan 0.000 0.462 1096 N N 2.751 121.219 118.700 -0.388 0.000 2.841 1096 N HA 0.447 5.189 4.740 0.003 0.000 0.257 1096 N C -3.089 172.029 175.510 -0.654 0.000 1.396 1096 N CA -1.209 51.365 53.050 -0.793 0.000 0.823 1096 N CB 1.698 39.536 38.487 -1.082 0.000 1.162 1096 N HN 0.508 nan 8.380 nan 0.000 0.503 1097 P HA 0.377 nan 4.420 nan 0.000 0.289 1097 P C -0.967 175.856 177.300 -0.794 0.000 1.300 1097 P CA -0.527 62.322 63.100 -0.418 0.000 0.828 1097 P CB 1.155 32.910 31.700 0.091 0.000 1.235 1098 F N -0.287 119.193 119.950 -0.784 0.000 2.421 1098 F HA 0.178 4.707 4.527 0.003 0.000 0.358 1098 F C 1.987 177.301 175.800 -0.809 0.000 1.115 1098 F CA 0.357 57.819 58.000 -0.896 0.000 1.160 1098 F CB 0.105 38.351 39.000 -1.256 0.000 1.123 1098 F HN 0.185 nan 8.300 nan 0.000 0.508 1099 T N 2.877 117.247 114.554 -0.307 0.000 2.737 1099 T HA -0.210 4.142 4.350 0.003 0.000 0.269 1099 T C 1.854 176.423 174.700 -0.218 0.000 1.040 1099 T CA 1.544 63.569 62.100 -0.124 0.000 1.142 1099 T CB -0.288 68.662 68.868 0.136 0.000 0.861 1099 T HN 0.503 nan 8.240 nan 0.000 0.456 1100 L N -1.339 119.736 121.223 -0.247 0.000 2.622 1100 L HA 0.213 4.555 4.340 0.003 0.000 0.233 1100 L C 1.575 178.331 176.870 -0.191 0.000 1.156 1100 L CA 0.723 55.452 54.840 -0.185 0.000 0.866 1100 L CB -1.660 40.288 42.059 -0.186 0.000 0.980 1100 L HN 0.035 nan 8.230 nan 0.000 0.448 1101 Y N -0.462 119.508 120.300 -0.549 0.000 2.497 1101 Y HA -0.079 4.472 4.550 0.003 0.000 0.292 1101 Y C 1.289 176.881 175.900 -0.513 0.000 1.137 1101 Y CA 0.141 57.842 58.100 -0.664 0.000 1.285 1101 Y CB -0.887 36.978 38.460 -0.991 0.000 0.991 1101 Y HN 0.373 nan 8.280 nan 0.000 0.556 1102 W N -1.508 119.918 121.300 0.209 0.000 3.330 1102 W HA 0.446 5.108 4.660 0.003 0.000 0.348 1102 W C 1.955 178.483 176.519 0.015 0.000 1.205 1102 W CA 0.175 57.545 57.345 0.041 0.000 1.841 1102 W CB -0.297 29.203 29.460 0.066 0.000 1.084 1102 W HN -0.127 nan 8.180 nan 0.000 0.665 1103 A N 1.016 123.932 122.820 0.161 0.000 1.978 1103 A HA -0.111 4.211 4.320 0.003 0.000 0.220 1103 A C 2.265 180.035 177.584 0.308 0.000 1.170 1103 A CA 1.959 54.116 52.037 0.201 0.000 0.636 1103 A CB -1.124 17.883 19.000 0.012 0.000 0.810 1103 A HN 0.388 nan 8.150 nan 0.000 0.448 1104 G N -0.299 108.617 108.800 0.194 0.000 2.534 1104 G HA2 -0.097 3.865 3.960 0.003 0.000 0.217 1104 G HA3 -0.097 3.865 3.960 0.003 0.000 0.217 1104 G C 1.589 176.525 174.900 0.061 0.000 1.128 1104 G CA 0.892 46.076 45.100 0.140 0.000 0.784 1104 G HN 0.751 nan 8.290 nan 0.000 0.542 1105 R N -1.613 118.907 120.500 0.033 0.000 2.369 1105 R HA 0.414 4.756 4.340 0.003 0.000 0.210 1105 R C 0.441 176.724 176.300 -0.028 0.000 0.881 1105 R CA -0.060 56.009 56.100 -0.052 0.000 1.031 1105 R CB 0.293 30.472 30.300 -0.202 0.000 1.184 1105 R HN 0.243 nan 8.270 nan 0.000 0.581 1106 M N 1.700 121.324 119.600 0.040 0.000 1.996 1106 M HA 0.330 4.812 4.480 0.003 0.000 0.268 1106 M C -2.322 174.075 176.300 0.163 0.000 0.888 1106 M CA -2.114 53.219 55.300 0.055 0.000 0.939 1106 M CB 2.625 35.214 32.600 -0.018 0.000 1.736 1106 M HN -0.233 nan 8.290 nan 0.000 0.407 1107 P HA -0.195 nan 4.420 nan 0.000 0.217 1107 P C 1.528 179.078 177.300 0.417 0.000 1.151 1107 P CA 1.042 64.345 63.100 0.338 0.000 0.849 1107 P CB 0.318 32.149 31.700 0.217 0.000 0.787 1108 V N 0.017 120.120 119.914 0.315 0.000 2.594 1108 V HA -0.223 3.898 4.120 0.003 0.000 0.253 1108 V C 2.127 178.418 176.094 0.328 0.000 1.069 1108 V CA 2.761 65.274 62.300 0.355 0.000 1.082 1108 V CB -1.641 30.312 31.823 0.217 0.000 0.680 1108 V HN 0.303 nan 8.190 nan 0.000 0.469 1109 T N -2.005 112.687 114.554 0.230 0.000 3.007 1109 T HA -0.032 4.319 4.350 0.003 0.000 0.270 1109 T C 1.785 176.551 174.700 0.109 0.000 1.107 1109 T CA 1.196 63.429 62.100 0.221 0.000 1.118 1109 T CB -0.495 68.541 68.868 0.281 0.000 0.889 1109 T HN 0.588 nan 8.240 nan 0.000 0.506 1110 A N 0.354 123.185 122.820 0.018 0.000 2.119 1110 A HA 0.297 4.619 4.320 0.003 0.000 0.217 1110 A C 1.485 178.799 177.584 -0.450 0.000 1.153 1110 A CA 0.450 52.289 52.037 -0.331 0.000 0.692 1110 A CB -0.788 17.820 19.000 -0.653 0.000 0.799 1110 A HN 0.578 nan 8.150 nan 0.000 0.458 1111 F N -1.116 118.874 119.950 0.067 0.000 2.695 1111 F HA 0.323 4.852 4.527 0.003 0.000 0.303 1111 F C 1.106 177.050 175.800 0.240 0.000 1.091 1111 F CA 0.134 58.222 58.000 0.147 0.000 1.300 1111 F CB 0.332 39.352 39.000 0.032 0.000 1.071 1111 F HN 0.038 nan 8.300 nan 0.000 0.578 1112 L N -1.227 120.194 121.223 0.330 0.000 2.700 1112 L HA 0.265 4.606 4.340 0.003 0.000 0.234 1112 L C 0.506 177.508 176.870 0.219 0.000 1.156 1112 L CA 0.157 55.270 54.840 0.456 0.000 0.946 1112 L CB 0.056 42.397 42.059 0.470 0.000 1.216 1112 L HN 0.003 nan 8.230 nan 0.000 0.493 1113 S N -0.848 114.759 115.700 -0.156 0.000 2.596 1113 S HA 0.425 4.897 4.470 0.003 0.000 0.270 1113 S C -0.305 173.839 174.600 -0.761 0.000 1.155 1113 S CA -0.554 57.317 58.200 -0.548 0.000 0.827 1113 S CB 1.667 64.694 63.200 -0.288 0.000 1.130 1113 S HN 0.189 nan 8.310 nan 0.000 0.467 1114 S N 1.872 117.015 115.700 -0.928 0.000 2.573 1114 S HA 0.473 4.945 4.470 0.003 0.000 0.277 1114 S C -0.519 173.908 174.600 -0.288 0.000 1.346 1114 S CA -0.015 57.824 58.200 -0.601 0.000 1.034 1114 S CB -0.228 62.699 63.200 -0.456 0.000 0.879 1114 S HN 0.833 nan 8.310 nan 0.000 0.528 1115 Y N -1.046 119.169 120.300 -0.141 0.000 2.602 1115 Y HA 0.800 5.352 4.550 0.003 0.000 0.342 1115 Y C 0.017 175.908 175.900 -0.015 0.000 1.029 1115 Y CA -1.606 56.396 58.100 -0.163 0.000 1.080 1115 Y CB 0.514 38.791 38.460 -0.305 0.000 1.284 1115 Y HN 0.863 nan 8.280 nan 0.000 0.485 1116 A N 2.480 125.435 122.820 0.224 0.000 2.561 1116 A HA 0.309 4.630 4.320 0.003 0.000 0.251 1116 A C 0.618 178.444 177.584 0.404 0.000 1.062 1116 A CA 0.217 52.374 52.037 0.200 0.000 0.761 1116 A CB -1.112 17.930 19.000 0.070 0.000 0.986 1116 A HN 1.139 nan 8.150 nan 0.000 0.510 1117 L N 0.682 122.045 121.223 0.233 0.000 4.232 1117 L HA -0.286 4.056 4.340 0.003 0.000 0.415 1117 L C 1.147 178.298 176.870 0.469 0.000 1.168 1117 L CA 0.436 55.459 54.840 0.305 0.000 0.966 1117 L CB -2.077 40.147 42.059 0.274 0.000 2.052 1117 L HN 0.981 nan 8.230 nan 0.000 0.887 1118 G N -0.285 108.629 108.800 0.189 0.000 2.849 1118 G HA2 0.635 4.597 3.960 0.003 0.000 0.174 1118 G HA3 0.635 4.597 3.960 0.003 0.000 0.174 1118 G C 0.031 174.927 174.900 -0.007 0.000 1.370 1118 G CA -0.886 44.142 45.100 -0.120 0.000 1.040 1118 G HN 0.061 nan 8.290 nan 0.000 0.582 1119 L N 1.241 122.292 121.223 -0.287 0.000 2.578 1119 L HA 0.092 4.434 4.340 0.003 0.000 0.279 1119 L C 0.268 177.200 176.870 0.103 0.000 1.227 1119 L CA 0.299 54.943 54.840 -0.327 0.000 0.900 1119 L CB 0.457 42.040 42.059 -0.793 0.000 1.144 1119 L HN 0.758 nan 8.230 nan 0.000 0.496 1120 D N 1.099 121.604 120.400 0.176 0.000 2.582 1120 D HA 0.133 4.775 4.640 0.003 0.000 0.246 1120 D C 0.165 176.592 176.300 0.211 0.000 1.334 1120 D CA -0.363 53.771 54.000 0.223 0.000 0.805 1120 D CB 0.445 41.367 40.800 0.203 0.000 1.087 1120 D HN 0.315 nan 8.370 nan 0.000 0.499 1121 R N 0.425 121.057 120.500 0.221 0.000 2.686 1121 R HA 0.407 4.749 4.340 0.003 0.000 0.286 1121 R C -2.121 174.351 176.300 0.286 0.000 0.969 1121 R CA -1.873 54.354 56.100 0.210 0.000 0.898 1121 R CB 1.969 32.364 30.300 0.157 0.000 1.183 1121 R HN -0.255 nan 8.270 nan 0.000 0.456 1122 P HA -0.251 nan 4.420 nan 0.000 0.216 1122 P C 0.475 178.010 177.300 0.392 0.000 1.154 1122 P CA 1.722 64.980 63.100 0.264 0.000 0.865 1122 P CB 0.149 31.906 31.700 0.096 0.000 0.789 1123 D N -1.075 119.510 120.400 0.308 0.000 2.218 1123 D HA -0.205 4.437 4.640 0.003 0.000 0.204 1123 D C 1.767 178.238 176.300 0.286 0.000 0.976 1123 D CA 1.087 55.255 54.000 0.279 0.000 0.853 1123 D CB -0.910 39.980 40.800 0.150 0.000 0.939 1123 D HN 0.243 nan 8.370 nan 0.000 0.481 1124 Q N -0.733 119.207 119.800 0.234 0.000 2.083 1124 Q HA -0.061 4.281 4.340 0.003 0.000 0.198 1124 Q C 1.641 177.775 176.000 0.224 0.000 0.969 1124 Q CA 1.195 57.104 55.803 0.177 0.000 0.838 1124 Q CB -0.267 28.383 28.738 -0.147 0.000 0.900 1124 Q HN 0.456 nan 8.270 nan 0.000 0.436 1125 W N 1.019 122.496 121.300 0.296 0.000 2.388 1125 W HA -0.128 4.534 4.660 0.003 0.000 0.294 1125 W C 2.219 179.078 176.519 0.565 0.000 1.212 1125 W CA 0.990 58.586 57.345 0.419 0.000 1.271 1125 W CB 0.018 29.669 29.460 0.318 0.000 1.126 1125 W HN 0.193 nan 8.180 nan 0.000 0.535 1126 E N -0.254 120.340 120.200 0.656 0.000 2.051 1126 E HA -0.166 4.185 4.350 0.003 0.000 0.192 1126 E C 2.063 178.994 176.600 0.551 0.000 0.991 1126 E CA 2.234 59.035 56.400 0.669 0.000 0.799 1126 E CB -0.501 29.588 29.700 0.650 0.000 0.748 1126 E HN -0.011 nan 8.360 nan 0.000 0.449 1127 T N -0.360 114.415 114.554 0.368 0.000 2.708 1127 T HA -0.168 4.183 4.350 0.003 0.000 0.266 1127 T C 1.193 175.926 174.700 0.055 0.000 1.037 1127 T CA 1.357 63.564 62.100 0.178 0.000 1.146 1127 T CB -0.609 68.307 68.868 0.080 0.000 0.865 1127 T HN 0.425 nan 8.240 nan 0.000 0.435 1128 W N 0.990 122.249 121.300 -0.069 0.000 2.335 1128 W HA -0.103 4.559 4.660 0.003 0.000 0.311 1128 W C 1.647 178.064 176.519 -0.170 0.000 1.213 1128 W CA 0.886 58.090 57.345 -0.236 0.000 1.274 1128 W CB -0.706 28.568 29.460 -0.310 0.000 1.148 1128 W HN 0.180 nan 8.180 nan 0.000 0.498 1129 F N -1.309 118.547 119.950 -0.157 0.000 2.113 1129 F HA -0.168 4.361 4.527 0.003 0.000 0.297 1129 F C 2.037 177.469 175.800 -0.613 0.000 1.103 1129 F CA 2.003 59.711 58.000 -0.488 0.000 1.248 1129 F CB -1.137 37.677 39.000 -0.310 0.000 0.999 1129 F HN -0.165 nan 8.300 nan 0.000 0.475 1130 Y N -1.443 118.937 120.300 0.134 0.000 2.517 1130 Y HA -0.027 4.525 4.550 0.003 0.000 0.281 1130 Y C 2.210 178.108 175.900 -0.003 0.000 1.125 1130 Y CA 0.811 58.964 58.100 0.089 0.000 1.283 1130 Y CB -0.017 38.558 38.460 0.192 0.000 1.042 1130 Y HN 0.061 nan 8.280 nan 0.000 0.547 1131 S N -2.192 113.512 115.700 0.007 0.000 2.651 1131 S HA 0.161 4.633 4.470 0.003 0.000 0.259 1131 S C 0.853 175.346 174.600 -0.178 0.000 1.073 1131 S CA -0.260 57.908 58.200 -0.053 0.000 1.090 1131 S CB -0.427 62.758 63.200 -0.025 0.000 1.042 1131 S HN 0.274 nan 8.310 nan 0.000 0.581 1132 L N 1.677 122.708 121.223 -0.320 0.000 2.653 1132 L HA 0.477 4.819 4.340 0.003 0.000 0.231 1132 L C 1.620 178.198 176.870 -0.488 0.000 1.153 1132 L CA 0.414 55.019 54.840 -0.392 0.000 0.933 1132 L CB -0.121 41.675 42.059 -0.439 0.000 1.175 1132 L HN 0.624 nan 8.230 nan 0.000 0.473 1133 G N -0.202 108.304 108.800 -0.490 0.000 2.176 1133 G HA2 -0.264 3.698 3.960 0.003 0.000 0.232 1133 G HA3 -0.264 3.698 3.960 0.003 0.000 0.232 1133 G C 0.952 175.444 174.900 -0.681 0.000 0.986 1133 G CA 0.124 44.955 45.100 -0.449 0.000 0.643 1133 G HN 0.425 nan 8.290 nan 0.000 0.522 1134 G N 0.509 108.516 108.800 -1.321 0.000 2.418 1134 G HA2 0.069 4.031 3.960 0.003 0.000 0.217 1134 G HA3 0.069 4.031 3.960 0.003 0.000 0.217 1134 G C 1.750 176.183 174.900 -0.778 0.000 1.158 1134 G CA 1.650 45.637 45.100 -1.855 0.000 0.771 1134 G HN 1.010 nan 8.290 nan 0.000 0.545 1135 L N 0.969 121.950 121.223 -0.402 0.000 2.042 1135 L HA -0.044 4.298 4.340 0.003 0.000 0.210 1135 L C 2.177 178.994 176.870 -0.090 0.000 1.076 1135 L CA 2.596 57.401 54.840 -0.058 0.000 0.749 1135 L CB -0.630 41.352 42.059 -0.129 0.000 0.893 1135 L HN 0.264 nan 8.230 nan 0.000 0.432 1136 D N -1.061 119.260 120.400 -0.132 0.000 2.178 1136 D HA -0.163 4.479 4.640 0.003 0.000 0.202 1136 D C 2.192 178.459 176.300 -0.054 0.000 0.974 1136 D CA 1.182 55.145 54.000 -0.063 0.000 0.841 1136 D CB -0.043 40.731 40.800 -0.043 0.000 0.953 1136 D HN 0.478 nan 8.370 nan 0.000 0.478 1137 I N 0.320 120.836 120.570 -0.090 0.000 2.179 1137 I HA -0.239 3.933 4.170 0.003 0.000 0.242 1137 I C 2.438 178.504 176.117 -0.084 0.000 1.088 1137 I CA 1.045 62.339 61.300 -0.011 0.000 1.357 1137 I CB -0.325 37.701 38.000 0.043 0.000 1.051 1137 I HN 0.040 nan 8.210 nan 0.000 0.409 1138 A N 0.825 123.578 122.820 -0.112 0.000 1.902 1138 A HA -0.198 4.124 4.320 0.003 0.000 0.217 1138 A C 2.411 179.945 177.584 -0.084 0.000 1.181 1138 A CA 1.447 53.380 52.037 -0.172 0.000 0.623 1138 A CB -0.559 18.116 19.000 -0.540 0.000 0.818 1138 A HN 0.303 nan 8.150 nan 0.000 0.443 1139 R N -0.879 119.571 120.500 -0.084 0.000 2.081 1139 R HA -0.074 4.268 4.340 0.003 0.000 0.235 1139 R C 2.494 178.780 176.300 -0.024 0.000 1.131 1139 R CA 1.480 57.541 56.100 -0.066 0.000 0.960 1139 R CB -0.278 29.968 30.300 -0.090 0.000 0.856 1139 R HN 0.486 nan 8.270 nan 0.000 0.436 1140 R N 0.144 120.619 120.500 -0.041 0.000 2.075 1140 R HA -0.060 4.282 4.340 0.003 0.000 0.232 1140 R C 2.344 178.512 176.300 -0.221 0.000 1.126 1140 R CA 1.358 57.447 56.100 -0.019 0.000 0.963 1140 R CB -0.311 30.059 30.300 0.117 0.000 0.858 1140 R HN 0.191 nan 8.270 nan 0.000 0.435 1141 A N 0.467 122.903 122.820 -0.640 0.000 1.902 1141 A HA -0.154 4.168 4.320 0.003 0.000 0.217 1141 A C 1.901 179.229 177.584 -0.427 0.000 1.181 1141 A CA 1.237 52.676 52.037 -0.997 0.000 0.623 1141 A CB -0.597 17.716 19.000 -1.144 0.000 0.818 1141 A HN 0.220 nan 8.150 nan 0.000 0.443 1142 F N 0.080 119.901 119.950 -0.215 0.000 2.234 1142 F HA -0.019 4.510 4.527 0.003 0.000 0.299 1142 F C 2.739 178.497 175.800 -0.070 0.000 1.087 1142 F CA 0.880 58.821 58.000 -0.099 0.000 1.340 1142 F CB -0.329 38.624 39.000 -0.078 0.000 1.031 1142 F HN 0.256 nan 8.300 nan 0.000 0.500 1143 A N -0.125 122.760 122.820 0.108 0.000 1.978 1143 A HA -0.207 4.114 4.320 0.003 0.000 0.220 1143 A C 2.062 179.696 177.584 0.083 0.000 1.170 1143 A CA 1.707 53.810 52.037 0.109 0.000 0.636 1143 A CB -0.692 18.381 19.000 0.122 0.000 0.810 1143 A HN 0.430 nan 8.150 nan 0.000 0.448 1144 E N -0.470 119.764 120.200 0.056 0.000 2.338 1144 E HA -0.135 4.217 4.350 0.003 0.000 0.197 1144 E C 1.278 177.914 176.600 0.060 0.000 1.007 1144 E CA 0.728 57.171 56.400 0.070 0.000 0.849 1144 E CB -0.006 29.753 29.700 0.099 0.000 0.774 1144 E HN 0.608 nan 8.360 nan 0.000 0.506 1145 Q N -0.725 119.102 119.800 0.045 0.000 2.319 1145 Q HA 0.093 4.435 4.340 0.003 0.000 0.202 1145 Q C 0.916 176.920 176.000 0.007 0.000 0.896 1145 Q CA 0.534 56.368 55.803 0.052 0.000 0.942 1145 Q CB 1.357 30.142 28.738 0.079 0.000 1.083 1145 Q HN 0.343 nan 8.270 nan 0.000 0.510 1146 G N 1.319 110.135 108.800 0.028 0.000 2.182 1146 G HA2 -0.240 3.722 3.960 0.003 0.000 0.248 1146 G HA3 -0.240 3.722 3.960 0.003 0.000 0.248 1146 G C -0.259 174.635 174.900 -0.010 0.000 1.042 1146 G CA 0.081 45.191 45.100 0.018 0.000 0.775 1146 G HN 0.246 nan 8.290 nan 0.000 0.501 1147 L N -1.284 119.954 121.223 0.026 0.000 2.388 1147 L HA 0.740 5.082 4.340 0.003 0.000 0.264 1147 L C -0.583 176.331 176.870 0.073 0.000 0.998 1147 L CA -1.297 53.547 54.840 0.007 0.000 0.817 1147 L CB 2.062 44.110 42.059 -0.018 0.000 1.338 1147 L HN 0.078 nan 8.230 nan 0.000 0.414 1148 F N 2.256 122.103 119.950 -0.172 0.000 2.361 1148 F HA 0.329 4.858 4.527 0.003 0.000 0.364 1148 F C -0.533 175.044 175.800 -0.372 0.000 1.117 1148 F CA -0.650 57.163 58.000 -0.311 0.000 1.071 1148 F CB 0.681 39.273 39.000 -0.680 0.000 1.188 1148 F HN 0.299 nan 8.300 nan 0.000 0.464 1149 Y N 6.776 126.458 120.300 -1.030 0.000 2.486 1149 Y HA 0.324 4.876 4.550 0.003 0.000 0.348 1149 Y C 0.374 175.679 175.900 -0.992 0.000 1.000 1149 Y CA -0.173 57.366 58.100 -0.935 0.000 1.253 1149 Y CB 0.778 38.754 38.460 -0.806 0.000 1.140 1149 Y HN 0.515 nan 8.280 nan 0.000 0.526 1150 V N 5.358 124.743 119.914 -0.882 0.000 2.283 1150 V HA 0.142 4.263 4.120 0.003 0.000 0.243 1150 V C 1.207 177.019 176.094 -0.471 0.000 1.039 1150 V CA 1.547 63.559 62.300 -0.481 0.000 1.016 1150 V CB -0.959 30.823 31.823 -0.068 0.000 0.650 1150 V HN 1.006 nan 8.190 nan 0.000 0.449 1151 G N -0.792 107.531 108.800 -0.794 0.000 2.338 1151 G HA2 0.400 4.362 3.960 0.003 0.000 0.295 1151 G HA3 0.400 4.362 3.960 0.003 0.000 0.295 1151 G C -3.417 171.083 174.900 -0.666 0.000 1.461 1151 G CA -0.616 44.136 45.100 -0.580 0.000 0.817 1151 G HN 0.026 nan 8.290 nan 0.000 0.556 1152 P HA 0.495 nan 4.420 nan 0.000 0.277 1152 P C -0.620 176.466 177.300 -0.357 0.000 1.240 1152 P CA -0.357 62.449 63.100 -0.489 0.000 0.798 1152 P CB 2.017 33.255 31.700 -0.769 0.000 0.979 1153 V N 3.570 123.287 119.914 -0.329 0.000 2.376 1153 V HA 0.139 4.261 4.120 0.003 0.000 0.287 1153 V C 0.649 176.566 176.094 -0.295 0.000 1.015 1153 V CA -0.601 61.500 62.300 -0.332 0.000 0.834 1153 V CB 1.166 32.780 31.823 -0.349 0.000 1.001 1153 V HN 0.515 nan 8.190 nan 0.000 0.428 1154 Q N 3.572 123.139 119.800 -0.387 0.000 2.474 1154 Q HA 0.197 4.539 4.340 0.003 0.000 0.256 1154 Q C 0.326 176.433 176.000 0.177 0.000 1.048 1154 Q CA 0.324 55.950 55.803 -0.296 0.000 0.922 1154 Q CB 1.398 29.563 28.738 -0.956 0.000 1.288 1154 Q HN 0.965 nan 8.270 nan 0.000 0.484 1155 H N -0.945 118.262 119.070 0.229 0.000 3.541 1155 H HA 0.114 4.671 4.556 0.003 0.000 0.121 1155 H C -0.725 174.702 175.328 0.165 0.000 1.206 1155 H CA 0.083 56.294 56.048 0.272 0.000 1.090 1155 H CB 1.468 31.396 29.762 0.276 0.000 0.943 1155 H HN 0.622 nan 8.280 nan 0.000 0.220 1156 D N -0.034 120.128 120.400 -0.397 0.000 2.913 1156 D HA 0.209 4.851 4.640 0.003 0.000 0.293 1156 D C -1.083 175.034 176.300 -0.306 0.000 1.238 1156 D CA -0.017 53.721 54.000 -0.438 0.000 0.738 1156 D CB 1.078 41.393 40.800 -0.809 0.000 1.254 1156 D HN 0.289 nan 8.370 nan 0.000 0.429 1157 L N 0.054 121.176 121.223 -0.168 0.000 2.488 1157 L HA 0.662 5.003 4.340 0.003 0.000 0.249 1157 L C 0.167 176.943 176.870 -0.156 0.000 1.151 1157 L CA -0.294 54.466 54.840 -0.133 0.000 0.806 1157 L CB 0.073 42.107 42.059 -0.042 0.000 1.261 1157 L HN 0.330 nan 8.230 nan 0.000 0.484 1158 N N -0.741 117.870 118.700 -0.148 0.000 2.292 1158 N HA 0.776 5.518 4.740 0.003 0.000 0.303 1158 N C -1.056 174.497 175.510 0.070 0.000 1.140 1158 N CA -0.880 52.134 53.050 -0.061 0.000 0.788 1158 N CB 2.581 41.012 38.487 -0.094 0.000 1.361 1158 N HN 0.763 nan 8.380 nan 0.000 0.489 1159 I N -2.024 118.650 120.570 0.174 0.000 3.170 1159 I HA 0.647 4.819 4.170 0.003 0.000 0.312 1159 I C -1.114 175.135 176.117 0.220 0.000 1.085 1159 I CA -1.013 60.404 61.300 0.196 0.000 0.999 1159 I CB 1.749 39.815 38.000 0.111 0.000 1.233 1159 I HN 0.346 nan 8.210 nan 0.000 0.467 1160 I N 1.734 122.365 120.570 0.102 0.000 2.530 1160 I HA 0.426 4.598 4.170 0.003 0.000 0.297 1160 I C -0.668 175.390 176.117 -0.099 0.000 1.011 1160 I CA -0.530 60.812 61.300 0.070 0.000 1.107 1160 I CB 1.685 39.707 38.000 0.037 0.000 1.285 1160 I HN 0.516 nan 8.210 nan 0.000 0.436 1161 H N 3.425 122.555 119.070 0.100 0.000 2.495 1161 H HA 0.496 5.054 4.556 0.003 0.000 0.348 1161 H C -0.914 174.433 175.328 0.031 0.000 1.113 1161 H CA -0.484 55.622 56.048 0.097 0.000 1.195 1161 H CB 2.351 32.197 29.762 0.141 0.000 1.521 1161 H HN 0.441 nan 8.280 nan 0.000 0.509 1162 S N 1.191 116.982 115.700 0.152 0.000 2.549 1162 S HA 0.215 4.687 4.470 0.003 0.000 0.280 1162 S C 0.670 175.378 174.600 0.181 0.000 1.109 1162 S CA -0.828 57.426 58.200 0.090 0.000 0.905 1162 S CB 1.520 64.722 63.200 0.004 0.000 1.081 1162 S HN 0.673 nan 8.310 nan 0.000 0.477 1163 K N 1.431 121.891 120.400 0.100 0.000 2.228 1163 K HA 0.156 4.478 4.320 0.003 0.000 0.202 1163 K C 0.179 176.920 176.600 0.236 0.000 1.051 1163 K CA 0.772 57.135 56.287 0.127 0.000 0.960 1163 K CB 0.102 32.616 32.500 0.022 0.000 0.743 1163 K HN 0.378 nan 8.250 nan 0.000 0.458 1164 K N 0.572 121.025 120.400 0.088 0.000 2.395 1164 K HA 0.339 4.661 4.320 0.003 0.000 0.247 1164 K C -2.858 173.470 176.600 -0.453 0.000 0.973 1164 K CA -2.464 53.764 56.287 -0.099 0.000 0.828 1164 K CB 1.819 34.255 32.500 -0.108 0.000 1.272 1164 K HN -0.305 nan 8.250 nan 0.000 0.439 1165 P HA 0.141 nan 4.420 nan 0.000 0.271 1165 P C -0.843 176.204 177.300 -0.422 0.000 1.216 1165 P CA 0.173 62.795 63.100 -0.797 0.000 0.776 1165 P CB 0.407 31.691 31.700 -0.694 0.000 0.881 1166 I N 3.898 124.255 120.570 -0.355 0.000 2.493 1166 I HA 0.301 4.473 4.170 0.003 0.000 0.279 1166 I C 1.029 177.012 176.117 -0.224 0.000 1.045 1166 I CA -0.293 60.791 61.300 -0.359 0.000 1.106 1166 I CB 1.570 39.239 38.000 -0.552 0.000 1.216 1166 I HN 0.244 nan 8.210 nan 0.000 0.459 1167 R N 4.831 125.240 120.500 -0.152 0.000 2.397 1167 R HA 0.266 4.608 4.340 0.003 0.000 0.241 1167 R C 0.128 176.442 176.300 0.024 0.000 0.914 1167 R CA -0.027 56.041 56.100 -0.053 0.000 1.071 1167 R CB 0.644 30.910 30.300 -0.058 0.000 1.116 1167 R HN 0.590 nan 8.270 nan 0.000 0.524 1168 R N -2.153 118.371 120.500 0.040 0.000 2.716 1168 R HA 0.146 4.487 4.340 0.003 0.000 0.271 1168 R C -0.047 176.397 176.300 0.239 0.000 1.028 1168 R CA -0.817 55.369 56.100 0.143 0.000 0.883 1168 R CB -0.010 30.349 30.300 0.098 0.000 1.250 1168 R HN -0.164 nan 8.270 nan 0.000 0.465 1169 F N 1.628 121.675 119.950 0.163 0.000 2.087 1169 F HA -0.198 4.331 4.527 0.003 0.000 0.299 1169 F C 1.450 177.342 175.800 0.154 0.000 1.100 1169 F CA 2.278 60.366 58.000 0.147 0.000 1.226 1169 F CB 0.074 39.009 39.000 -0.109 0.000 0.983 1169 F HN 0.746 nan 8.300 nan 0.000 0.479 1170 E N 0.160 120.441 120.200 0.137 0.000 2.333 1170 E HA -0.175 4.176 4.350 0.003 0.000 0.198 1170 E C 1.543 178.104 176.600 -0.067 0.000 1.007 1170 E CA 1.232 57.639 56.400 0.011 0.000 0.845 1170 E CB -0.488 29.263 29.700 0.084 0.000 0.766 1170 E HN 0.457 nan 8.360 nan 0.000 0.507 1171 D N -0.858 119.492 120.400 -0.083 0.000 2.363 1171 D HA -0.052 4.590 4.640 0.003 0.000 0.220 1171 D C 0.734 176.868 176.300 -0.276 0.000 0.994 1171 D CA 0.402 54.292 54.000 -0.183 0.000 0.890 1171 D CB -0.063 40.592 40.800 -0.242 0.000 0.906 1171 D HN 0.221 nan 8.370 nan 0.000 0.530 1172 F N 0.975 120.824 119.950 -0.167 0.000 2.512 1172 F HA 0.063 4.591 4.527 0.003 0.000 0.296 1172 F C 1.340 177.063 175.800 -0.127 0.000 1.110 1172 F CA 0.178 58.102 58.000 -0.126 0.000 1.446 1172 F CB 0.016 38.948 39.000 -0.113 0.000 1.092 1172 F HN -0.298 nan 8.300 nan 0.000 0.554 1173 K N 0.303 120.695 120.400 -0.014 0.000 2.447 1173 K HA 0.248 4.570 4.320 0.003 0.000 0.281 1173 K C 1.138 177.725 176.600 -0.022 0.000 1.031 1173 K CA 0.926 57.200 56.287 -0.022 0.000 1.019 1173 K CB 0.053 32.528 32.500 -0.042 0.000 0.918 1173 K HN 0.373 nan 8.250 nan 0.000 0.476 1174 G N 2.147 110.943 108.800 -0.006 0.000 2.179 1174 G HA2 -0.237 3.724 3.960 0.003 0.000 0.260 1174 G HA3 -0.237 3.724 3.960 0.003 0.000 0.260 1174 G C -0.067 174.819 174.900 -0.024 0.000 0.977 1174 G CA 0.096 45.187 45.100 -0.016 0.000 0.641 1174 G HN 0.514 nan 8.290 nan 0.000 0.533 1175 V N 1.116 121.020 119.914 -0.017 0.000 2.498 1175 V HA 0.407 4.529 4.120 0.003 0.000 0.279 1175 V C 0.824 176.907 176.094 -0.019 0.000 1.048 1175 V CA -0.122 62.157 62.300 -0.037 0.000 0.967 1175 V CB 1.614 33.404 31.823 -0.056 0.000 0.988 1175 V HN 0.353 nan 8.190 nan 0.000 0.473 1176 K N 4.786 125.163 120.400 -0.038 0.000 2.267 1176 K HA 0.473 4.795 4.320 0.003 0.000 0.282 1176 K C -1.033 175.533 176.600 -0.058 0.000 1.078 1176 K CA -0.485 55.780 56.287 -0.036 0.000 0.903 1176 K CB 0.600 33.077 32.500 -0.038 0.000 1.111 1176 K HN 0.524 nan 8.250 nan 0.000 0.475 1177 L N 4.431 125.616 121.223 -0.062 0.000 2.333 1177 L HA 0.431 4.773 4.340 0.003 0.000 0.280 1177 L C -0.705 176.104 176.870 -0.102 0.000 1.004 1177 L CA -0.524 54.249 54.840 -0.111 0.000 0.820 1177 L CB 1.339 43.288 42.059 -0.184 0.000 1.247 1177 L HN 0.545 nan 8.230 nan 0.000 0.416 1178 R N 4.803 125.243 120.500 -0.101 0.000 2.340 1178 R HA 0.677 5.019 4.340 0.003 0.000 0.300 1178 R C -1.424 174.845 176.300 -0.052 0.000 1.069 1178 R CA -0.070 55.993 56.100 -0.062 0.000 0.984 1178 R CB 0.658 30.921 30.300 -0.062 0.000 1.003 1178 R HN 0.621 nan 8.270 nan 0.000 0.459 1179 V N 1.935 121.845 119.914 -0.006 0.000 3.202 1179 V HA 0.518 4.640 4.120 0.003 0.000 0.306 1179 V C -2.433 173.709 176.094 0.079 0.000 1.283 1179 V CA -1.602 60.722 62.300 0.039 0.000 1.065 1179 V CB 2.247 34.085 31.823 0.025 0.000 1.079 1179 V HN 0.662 nan 8.190 nan 0.000 0.448 1180 P HA 0.270 nan 4.420 nan 0.000 0.236 1180 P C 0.718 178.025 177.300 0.012 0.000 1.709 1180 P CA 1.150 64.321 63.100 0.117 0.000 0.942 1180 P CB 0.022 31.854 31.700 0.219 0.000 1.615 1181 G N 0.304 109.093 108.800 -0.018 0.000 2.601 1181 G HA2 -0.036 3.925 3.960 0.003 0.000 0.261 1181 G HA3 -0.036 3.925 3.960 0.003 0.000 0.261 1181 G C 0.447 175.295 174.900 -0.087 0.000 1.289 1181 G CA 0.128 45.202 45.100 -0.043 0.000 0.920 1181 G HN 0.665 nan 8.290 nan 0.000 0.571 1182 G N -1.485 107.254 108.800 -0.102 0.000 2.594 1182 G HA2 -0.191 3.771 3.960 0.003 0.000 0.297 1182 G HA3 -0.191 3.771 3.960 0.003 0.000 0.297 1182 G C 1.326 175.852 174.900 -0.623 0.000 1.273 1182 G CA 1.614 46.456 45.100 -0.429 0.000 0.974 1182 G HN 1.580 nan 8.290 nan 0.000 0.552 1183 M N 0.166 119.109 119.600 -1.095 0.000 2.296 1183 M HA -0.001 4.481 4.480 0.003 0.000 0.265 1183 M C 2.600 178.713 176.300 -0.312 0.000 1.064 1183 M CA 1.036 55.833 55.300 -0.839 0.000 1.109 1183 M CB -0.328 31.710 32.600 -0.937 0.000 1.396 1183 M HN 0.488 nan 8.290 nan 0.000 0.430 1184 I N 0.243 120.687 120.570 -0.209 0.000 2.202 1184 I HA -0.188 3.983 4.170 0.003 0.000 0.242 1184 I C 2.675 178.855 176.117 0.106 0.000 1.091 1184 I CA 1.554 62.849 61.300 -0.007 0.000 1.368 1184 I CB -1.803 36.244 38.000 0.078 0.000 1.058 1184 I HN 0.182 nan 8.210 nan 0.000 0.410 1185 A N 0.372 123.235 122.820 0.073 0.000 1.933 1185 A HA -0.237 4.085 4.320 0.003 0.000 0.218 1185 A C 2.366 180.028 177.584 0.129 0.000 1.175 1185 A CA 1.773 53.892 52.037 0.136 0.000 0.628 1185 A CB -0.701 18.344 19.000 0.076 0.000 0.814 1185 A HN 0.488 nan 8.150 nan 0.000 0.444 1186 E N -0.245 120.000 120.200 0.074 0.000 2.110 1186 E HA -0.137 4.215 4.350 0.003 0.000 0.193 1186 E C 1.794 178.437 176.600 0.071 0.000 0.988 1186 E CA 1.447 57.912 56.400 0.108 0.000 0.804 1186 E CB -0.139 29.672 29.700 0.185 0.000 0.745 1186 E HN 0.324 nan 8.360 nan 0.000 0.458 1187 V N 0.259 120.169 119.914 -0.007 0.000 2.343 1187 V HA -0.220 3.902 4.120 0.003 0.000 0.247 1187 V C 1.898 177.943 176.094 -0.081 0.000 1.051 1187 V CA 1.635 63.890 62.300 -0.075 0.000 1.036 1187 V CB -0.576 31.119 31.823 -0.214 0.000 0.654 1187 V HN 0.287 nan 8.190 nan 0.000 0.451 1188 F N 0.781 120.750 119.950 0.031 0.000 2.259 1188 F HA -0.000 4.529 4.527 0.003 0.000 0.298 1188 F C 2.420 178.237 175.800 0.027 0.000 1.088 1188 F CA 1.082 59.088 58.000 0.011 0.000 1.358 1188 F CB -0.946 38.024 39.000 -0.051 0.000 1.040 1188 F HN 0.077 nan 8.300 nan 0.000 0.505 1189 A N 0.040 122.978 122.820 0.197 0.000 1.933 1189 A HA -0.067 4.255 4.320 0.003 0.000 0.218 1189 A C 2.394 180.034 177.584 0.092 0.000 1.175 1189 A CA 1.631 53.744 52.037 0.127 0.000 0.628 1189 A CB -1.231 17.833 19.000 0.107 0.000 0.814 1189 A HN 0.281 nan 8.150 nan 0.000 0.444 1190 A N -0.556 122.316 122.820 0.086 0.000 2.067 1190 A HA 0.277 4.599 4.320 0.003 0.000 0.219 1190 A C 2.104 179.724 177.584 0.060 0.000 1.158 1190 A CA 1.584 53.663 52.037 0.070 0.000 0.661 1190 A CB -0.581 18.461 19.000 0.069 0.000 0.801 1190 A HN 1.064 nan 8.150 nan 0.000 0.452 1191 A N -1.953 120.885 122.820 0.031 0.000 2.307 1191 A HA 0.448 4.770 4.320 0.003 0.000 0.218 1191 A C 1.611 179.124 177.584 -0.118 0.000 1.228 1191 A CA 1.044 52.996 52.037 -0.142 0.000 0.857 1191 A CB -0.749 18.029 19.000 -0.369 0.000 0.897 1191 A HN 1.758 nan 8.150 nan 0.000 0.495 1192 G N -2.078 106.722 108.800 0.001 0.000 2.176 1192 G HA2 0.113 4.074 3.960 0.003 0.000 0.232 1192 G HA3 0.113 4.074 3.960 0.003 0.000 0.232 1192 G C 0.430 175.359 174.900 0.049 0.000 0.986 1192 G CA 0.162 45.270 45.100 0.013 0.000 0.643 1192 G HN 1.527 nan 8.290 nan 0.000 0.522 1193 A N 0.172 123.053 122.820 0.102 0.000 2.286 1193 A HA 0.814 5.136 4.320 0.003 0.000 0.286 1193 A C 0.772 178.401 177.584 0.076 0.000 1.097 1193 A CA 0.776 52.879 52.037 0.111 0.000 0.821 1193 A CB 0.728 19.842 19.000 0.190 0.000 1.076 1193 A HN 1.865 nan 8.150 nan 0.000 0.490 1194 S N 0.548 116.274 115.700 0.043 0.000 2.462 1194 S HA 0.631 5.103 4.470 0.003 0.000 0.294 1194 S C -0.023 174.590 174.600 0.022 0.000 1.144 1194 S CA 0.036 58.254 58.200 0.030 0.000 1.088 1194 S CB 0.966 64.173 63.200 0.012 0.000 1.009 1194 S HN 1.259 nan 8.310 nan 0.000 0.484 1195 T N -0.337 114.234 114.554 0.029 0.000 2.925 1195 T HA 0.767 5.119 4.350 0.003 0.000 0.285 1195 T C -0.024 174.679 174.700 0.004 0.000 1.021 1195 T CA -0.681 61.429 62.100 0.017 0.000 1.042 1195 T CB 1.012 69.908 68.868 0.048 0.000 1.037 1195 T HN 1.543 nan 8.240 nan 0.000 0.481 1196 V N 0.322 120.230 119.914 -0.009 0.000 2.925 1196 V HA 0.815 4.937 4.120 0.003 0.000 0.311 1196 V C -1.122 174.966 176.094 -0.009 0.000 1.104 1196 V CA -1.304 60.990 62.300 -0.011 0.000 0.954 1196 V CB 1.550 33.362 31.823 -0.018 0.000 1.022 1196 V HN 0.960 nan 8.190 nan 0.000 0.427 1197 L N 4.922 126.138 121.223 -0.013 0.000 2.287 1197 L HA 0.830 5.172 4.340 0.003 0.000 0.287 1197 L C -0.901 176.004 176.870 0.058 0.000 1.022 1197 L CA -0.090 54.739 54.840 -0.018 0.000 0.814 1197 L CB 0.640 42.624 42.059 -0.124 0.000 1.217 1197 L HN 0.798 nan 8.230 nan 0.000 0.420 1198 L N 6.422 127.715 121.223 0.116 0.000 2.434 1198 L HA 0.636 4.978 4.340 0.003 0.000 0.260 1198 L C -2.361 174.580 176.870 0.118 0.000 0.983 1198 L CA -1.769 53.145 54.840 0.125 0.000 0.820 1198 L CB 2.580 44.645 42.059 0.009 0.000 1.361 1198 L HN 0.450 nan 8.230 nan 0.000 0.410 1199 P HA 0.058 nan 4.420 nan 0.000 0.274 1199 P C 0.578 177.720 177.300 -0.265 0.000 1.237 1199 P CA -0.191 62.738 63.100 -0.285 0.000 0.793 1199 P CB 1.000 32.410 31.700 -0.483 0.000 0.977 1200 G N 1.778 110.308 108.800 -0.450 0.000 2.475 1200 G HA2 -0.254 3.708 3.960 0.003 0.000 0.220 1200 G HA3 -0.254 3.708 3.960 0.003 0.000 0.220 1200 G C 1.651 176.280 174.900 -0.453 0.000 1.125 1200 G CA 0.916 45.370 45.100 -1.076 0.000 0.755 1200 G HN 0.658 nan 8.290 nan 0.000 0.565 1201 G N -0.024 108.638 108.800 -0.230 0.000 2.559 1201 G HA2 0.016 3.978 3.960 0.003 0.000 0.216 1201 G HA3 0.016 3.978 3.960 0.003 0.000 0.216 1201 G C 1.394 176.263 174.900 -0.052 0.000 1.126 1201 G CA 0.659 45.706 45.100 -0.089 0.000 0.778 1201 G HN 0.555 nan 8.290 nan 0.000 0.543 1202 E N -0.370 119.777 120.200 -0.088 0.000 2.481 1202 E HA 0.130 4.482 4.350 0.003 0.000 0.198 1202 E C 2.109 178.671 176.600 -0.063 0.000 1.027 1202 E CA -0.307 56.062 56.400 -0.052 0.000 0.900 1202 E CB 0.658 30.322 29.700 -0.059 0.000 0.993 1202 E HN 0.269 nan 8.360 nan 0.000 0.482 1203 V N 0.834 120.685 119.914 -0.106 0.000 2.358 1203 V HA -0.277 3.845 4.120 0.003 0.000 0.246 1203 V C 1.992 177.944 176.094 -0.237 0.000 1.047 1203 V CA 1.749 63.910 62.300 -0.232 0.000 1.035 1203 V CB -0.516 31.060 31.823 -0.412 0.000 0.658 1203 V HN 0.359 nan 8.190 nan 0.000 0.452 1204 Y N 2.401 122.617 120.300 -0.140 0.000 2.097 1204 Y HA -0.151 4.400 4.550 0.003 0.000 0.282 1204 Y C 0.171 176.013 175.900 -0.097 0.000 1.152 1204 Y CA 2.380 60.434 58.100 -0.078 0.000 1.136 1204 Y CB -1.339 37.161 38.460 0.067 0.000 0.975 1204 Y HN 0.296 nan 8.280 nan 0.000 0.498 1205 P HA -0.146 nan 4.420 nan 0.000 0.218 1205 P C 1.214 178.462 177.300 -0.087 0.000 1.149 1205 P CA 2.139 65.258 63.100 0.030 0.000 0.817 1205 P CB -0.277 31.470 31.700 0.078 0.000 0.785 1206 A N 0.191 122.950 122.820 -0.102 0.000 1.902 1206 A HA -0.131 4.191 4.320 0.003 0.000 0.217 1206 A C 2.408 179.896 177.584 -0.161 0.000 1.181 1206 A CA 1.357 53.323 52.037 -0.117 0.000 0.623 1206 A CB -1.573 17.357 19.000 -0.117 0.000 0.818 1206 A HN 0.128 nan 8.150 nan 0.000 0.443 1207 L N -0.962 120.118 121.223 -0.238 0.000 2.072 1207 L HA -0.132 4.209 4.340 0.003 0.000 0.205 1207 L C 2.748 179.467 176.870 -0.252 0.000 1.079 1207 L CA 1.405 56.092 54.840 -0.255 0.000 0.752 1207 L CB -0.443 41.411 42.059 -0.342 0.000 0.906 1207 L HN 0.432 nan 8.230 nan 0.000 0.436 1208 E N 1.044 121.039 120.200 -0.342 0.000 2.085 1208 E HA -0.220 4.132 4.350 0.003 0.000 0.194 1208 E C 2.101 178.606 176.600 -0.160 0.000 0.994 1208 E CA 1.419 57.637 56.400 -0.303 0.000 0.801 1208 E CB 0.107 29.580 29.700 -0.379 0.000 0.743 1208 E HN 0.436 nan 8.360 nan 0.000 0.453 1209 R N -1.188 119.238 120.500 -0.124 0.000 2.310 1209 R HA 0.095 4.437 4.340 0.003 0.000 0.202 1209 R C 1.252 177.509 176.300 -0.072 0.000 0.933 1209 R CA 0.533 56.587 56.100 -0.077 0.000 1.054 1209 R CB 0.248 30.515 30.300 -0.055 0.000 0.985 1209 R HN 0.254 nan 8.270 nan 0.000 0.489 1210 G N 0.683 109.429 108.800 -0.089 0.000 2.160 1210 G HA2 -0.247 3.715 3.960 0.003 0.000 0.244 1210 G HA3 -0.247 3.715 3.960 0.003 0.000 0.244 1210 G C 0.701 175.562 174.900 -0.065 0.000 1.022 1210 G CA 0.264 45.320 45.100 -0.074 0.000 0.741 1210 G HN 0.201 nan 8.290 nan 0.000 0.508 1211 V N 0.178 120.050 119.914 -0.070 0.000 2.548 1211 V HA 0.147 4.269 4.120 0.003 0.000 0.249 1211 V C 1.654 177.712 176.094 -0.061 0.000 1.055 1211 V CA 2.112 64.377 62.300 -0.058 0.000 1.065 1211 V CB -0.489 31.300 31.823 -0.057 0.000 0.681 1211 V HN 0.815 nan 8.190 nan 0.000 0.462 1212 I N -4.420 116.103 120.570 -0.079 0.000 3.042 1212 I HA 0.554 4.726 4.170 0.003 0.000 0.310 1212 I C 0.112 176.179 176.117 -0.084 0.000 1.117 1212 I CA -0.758 60.494 61.300 -0.080 0.000 1.003 1212 I CB 1.963 39.907 38.000 -0.093 0.000 1.228 1212 I HN -0.232 nan 8.210 nan 0.000 0.443 1213 D N 1.763 122.116 120.400 -0.078 0.000 2.338 1213 D HA 0.367 5.009 4.640 0.003 0.000 0.208 1213 D C 0.484 176.738 176.300 -0.078 0.000 0.997 1213 D CA 0.788 54.744 54.000 -0.075 0.000 0.880 1213 D CB 1.125 41.881 40.800 -0.074 0.000 0.980 1213 D HN 0.689 nan 8.370 nan 0.000 0.509 1214 A N -0.143 122.623 122.820 -0.090 0.000 2.610 1214 A HA 0.762 5.084 4.320 0.003 0.000 0.291 1214 A C -1.703 175.818 177.584 -0.105 0.000 1.086 1214 A CA -0.249 51.738 52.037 -0.083 0.000 0.677 1214 A CB 1.789 20.735 19.000 -0.090 0.000 1.278 1214 A HN 0.051 nan 8.150 nan 0.000 0.414 1215 A N 0.797 123.572 122.820 -0.076 0.000 2.517 1215 A HA 0.661 4.982 4.320 0.003 0.000 0.297 1215 A C -1.316 176.304 177.584 0.058 0.000 1.050 1215 A CA -0.139 51.856 52.037 -0.071 0.000 0.694 1215 A CB 1.164 20.055 19.000 -0.182 0.000 1.277 1215 A HN 0.998 nan 8.150 nan 0.000 0.400 1216 D N 1.562 121.995 120.400 0.054 0.000 2.225 1216 D HA 0.609 5.251 4.640 0.003 0.000 0.249 1216 D C -0.610 175.920 176.300 0.385 0.000 1.052 1216 D CA -0.009 54.109 54.000 0.197 0.000 0.909 1216 D CB 1.356 42.218 40.800 0.104 0.000 1.186 1216 D HN 0.308 nan 8.370 nan 0.000 0.431 1217 F N 2.552 122.675 119.950 0.287 0.000 1.965 1217 F HA 0.234 4.762 4.527 0.002 0.000 0.219 1217 F C -0.255 175.661 175.800 0.193 0.000 1.281 1217 F CA 0.751 58.908 58.000 0.262 0.000 1.224 1217 F CB -0.251 39.018 39.000 0.449 0.000 2.014 1217 F HN 0.268 nan 8.300 nan 0.000 0.113 1218 V N -0.155 119.598 119.914 -0.268 0.000 5.546 1218 V HA 0.913 5.034 4.120 0.003 0.000 0.279 1218 V C 0.639 176.759 176.094 0.044 0.000 1.521 1218 V CA -0.131 62.044 62.300 -0.209 0.000 0.732 1218 V CB 0.090 31.805 31.823 -0.179 0.000 1.397 1218 V HN 0.698 nan 8.190 nan 0.000 0.420 1219 G N -0.178 108.649 108.800 0.046 0.000 2.563 1219 G HA2 0.460 4.422 3.960 0.003 0.000 0.283 1219 G HA3 0.460 4.422 3.960 0.003 0.000 0.283 1219 G C -1.348 173.566 174.900 0.024 0.000 1.309 1219 G CA -0.344 44.764 45.100 0.014 0.000 1.022 1219 G HN 0.671 nan 8.290 nan 0.000 0.501 1220 P HA -0.132 nan 4.420 nan 0.000 0.215 1220 P C 1.846 179.128 177.300 -0.030 0.000 1.153 1220 P CA 2.068 65.062 63.100 -0.176 0.000 0.853 1220 P CB 0.085 31.226 31.700 -0.931 0.000 0.788 1221 A N 0.045 122.777 122.820 -0.147 0.000 1.855 1221 A HA -0.090 4.232 4.320 0.003 0.000 0.215 1221 A C 2.529 180.065 177.584 -0.078 0.000 1.191 1221 A CA 1.868 53.817 52.037 -0.147 0.000 0.613 1221 A CB -1.605 17.282 19.000 -0.187 0.000 0.829 1221 A HN 0.058 nan 8.150 nan 0.000 0.442 1222 V N 1.049 120.913 119.914 -0.084 0.000 2.427 1222 V HA -0.225 3.897 4.120 0.003 0.000 0.248 1222 V C 2.179 178.231 176.094 -0.071 0.000 1.051 1222 V CA 2.052 64.306 62.300 -0.078 0.000 1.048 1222 V CB -1.054 30.716 31.823 -0.089 0.000 0.666 1222 V HN 0.532 nan 8.190 nan 0.000 0.456 1223 N N -0.584 118.079 118.700 -0.061 0.000 2.223 1223 N HA -0.195 4.547 4.740 0.003 0.000 0.185 1223 N C 1.652 176.916 175.510 -0.410 0.000 1.016 1223 N CA 1.479 54.271 53.050 -0.430 0.000 0.863 1223 N CB -0.456 38.013 38.487 -0.030 0.000 0.983 1223 N HN 0.669 nan 8.380 nan 0.000 0.429 1224 Y N 1.449 121.647 120.300 -0.170 0.000 2.220 1224 Y HA -0.025 4.525 4.550 0.001 0.000 0.291 1224 Y C 1.747 177.570 175.900 -0.129 0.000 1.129 1224 Y CA 1.373 59.359 58.100 -0.190 0.000 1.161 1224 Y CB -0.312 37.842 38.460 -0.509 0.000 0.997 1224 Y HN 0.125 nan 8.280 nan 0.000 0.522 1225 N N 0.066 118.762 118.700 -0.007 0.000 2.149 1225 N HA -0.211 4.531 4.740 0.003 0.000 0.188 1225 N C 1.368 176.801 175.510 -0.130 0.000 1.019 1225 N CA 1.478 54.504 53.050 -0.041 0.000 0.857 1225 N CB -0.277 38.180 38.487 -0.049 0.000 0.997 1225 N HN 0.335 nan 8.380 nan 0.000 0.426 1226 L N -0.265 120.824 121.223 -0.223 0.000 2.599 1226 L HA 0.138 4.480 4.340 0.003 0.000 0.230 1226 L C 1.211 177.999 176.870 -0.137 0.000 1.141 1226 L CA 0.064 54.769 54.840 -0.224 0.000 0.877 1226 L CB -0.207 41.660 42.059 -0.321 0.000 1.009 1226 L HN 0.284 nan 8.230 nan 0.000 0.447 1227 G N -0.911 107.792 108.800 -0.161 0.000 2.143 1227 G HA2 -0.305 3.657 3.960 0.003 0.000 0.248 1227 G HA3 -0.305 3.657 3.960 0.003 0.000 0.248 1227 G C 0.540 175.511 174.900 0.118 0.000 0.991 1227 G CA 0.075 45.105 45.100 -0.117 0.000 0.689 1227 G HN 0.185 nan 8.290 nan 0.000 0.522 1228 F N 1.320 121.278 119.950 0.013 0.000 2.250 1228 F HA -0.065 4.463 4.527 0.003 0.000 0.301 1228 F C 2.664 178.457 175.800 -0.011 0.000 1.077 1228 F CA 1.258 59.217 58.000 -0.068 0.000 1.348 1228 F CB -1.019 37.758 39.000 -0.372 0.000 1.040 1228 F HN 0.680 nan 8.300 nan 0.000 0.509 1229 H N -0.041 119.181 119.070 0.255 0.000 2.489 1229 H HA -0.096 4.461 4.556 0.002 0.000 0.293 1229 H C 1.398 176.801 175.328 0.125 0.000 1.066 1229 H CA 1.295 57.501 56.048 0.264 0.000 1.305 1229 H CB -0.933 28.956 29.762 0.211 0.000 1.386 1229 H HN 0.380 nan 8.280 nan 0.000 0.551 1230 Q N 0.988 120.540 119.800 -0.413 0.000 2.245 1230 Q HA 0.014 4.356 4.340 0.003 0.000 0.201 1230 Q C 2.048 177.972 176.000 -0.127 0.000 0.955 1230 Q CA 1.417 57.089 55.803 -0.219 0.000 0.870 1230 Q CB 0.443 29.073 28.738 -0.180 0.000 0.945 1230 Q HN 0.520 nan 8.270 nan 0.000 0.461 1231 V N -4.312 115.501 119.914 -0.168 0.000 3.427 1231 V HA 0.642 4.764 4.120 0.003 0.000 0.305 1231 V C 0.055 176.076 176.094 -0.122 0.000 1.412 1231 V CA -0.067 62.100 62.300 -0.222 0.000 1.086 1231 V CB 0.455 31.973 31.823 -0.508 0.000 0.964 1231 V HN 0.073 nan 8.190 nan 0.000 0.439 1232 A N 0.316 123.126 122.820 -0.018 0.000 2.480 1232 A HA 0.742 5.064 4.320 0.003 0.000 0.289 1232 A C -0.011 177.616 177.584 0.071 0.000 1.044 1232 A CA -0.499 51.568 52.037 0.050 0.000 0.761 1232 A CB 1.548 20.612 19.000 0.107 0.000 1.289 1232 A HN -0.029 nan 8.150 nan 0.000 0.401 1233 K N 1.123 121.481 120.400 -0.070 0.000 2.446 1233 K HA 0.238 4.560 4.320 0.003 0.000 0.203 1233 K C -1.138 175.119 176.600 -0.572 0.000 1.027 1233 K CA 0.567 56.685 56.287 -0.281 0.000 1.166 1233 K CB -0.251 32.010 32.500 -0.400 0.000 0.869 1233 K HN 0.660 nan 8.250 nan 0.000 0.504 1234 Y N -0.531 119.825 120.300 0.093 0.000 2.512 1234 Y HA 0.483 5.035 4.550 0.005 0.000 0.348 1234 Y C -0.032 175.877 175.900 0.014 0.000 0.990 1234 Y CA -0.972 57.157 58.100 0.048 0.000 1.033 1234 Y CB 1.784 40.250 38.460 0.009 0.000 1.259 1234 Y HN -0.217 nan 8.280 nan 0.000 0.461 1235 I N 4.351 124.990 120.570 0.115 0.000 2.465 1235 I HA 0.403 4.574 4.170 0.003 0.000 0.291 1235 I C -1.148 174.987 176.117 0.030 0.000 1.014 1235 I CA -0.825 60.439 61.300 -0.060 0.000 1.093 1235 I CB 1.451 39.370 38.000 -0.136 0.000 1.267 1235 I HN 0.377 nan 8.210 nan 0.000 0.431 1236 I N 6.903 127.484 120.570 0.018 0.000 2.362 1236 I HA 0.502 4.674 4.170 0.003 0.000 0.289 1236 I C -0.165 176.022 176.117 0.118 0.000 0.994 1236 I CA -0.364 60.981 61.300 0.075 0.000 1.158 1236 I CB 1.162 39.210 38.000 0.081 0.000 1.315 1236 I HN 0.542 nan 8.210 nan 0.000 0.451 1237 M N 3.096 122.769 119.600 0.122 0.000 2.658 1237 M HA 0.597 5.079 4.480 0.003 0.000 0.295 1237 M C 0.566 176.948 176.300 0.136 0.000 1.248 1237 M CA -0.625 54.753 55.300 0.130 0.000 0.843 1237 M CB 2.730 35.379 32.600 0.081 0.000 1.749 1237 M HN 0.659 nan 8.290 nan 0.000 0.464 1238 G N 0.865 109.740 108.800 0.126 0.000 2.588 1238 G HA2 0.514 4.476 3.960 0.003 0.000 0.278 1238 G HA3 0.514 4.476 3.960 0.003 0.000 0.278 1238 G C -2.707 172.241 174.900 0.080 0.000 1.307 1238 G CA -0.964 44.207 45.100 0.118 0.000 1.016 1238 G HN 0.358 nan 8.290 nan 0.000 0.503 1239 P HA 0.157 nan 4.420 nan 0.000 0.273 1239 P C -2.166 175.149 177.300 0.024 0.000 1.250 1239 P CA -1.113 62.014 63.100 0.046 0.000 0.793 1239 P CB 0.940 32.669 31.700 0.049 0.000 1.011 1240 P HA -0.165 nan 4.420 nan 0.000 0.217 1240 P C 1.183 178.486 177.300 0.005 0.000 1.148 1240 P CA 1.705 64.802 63.100 -0.006 0.000 0.828 1240 P CB -0.094 31.598 31.700 -0.014 0.000 0.783 1241 E N -1.708 118.498 120.200 0.010 0.000 2.208 1241 E HA -0.024 4.328 4.350 0.003 0.000 0.193 1241 E C 0.156 176.763 176.600 0.011 0.000 0.988 1241 E CA 1.032 57.437 56.400 0.008 0.000 0.828 1241 E CB -0.387 29.315 29.700 0.003 0.000 0.763 1241 E HN 0.136 nan 8.360 nan 0.000 0.478 1242 T N 1.215 115.783 114.554 0.023 0.000 3.428 1242 T HA 0.118 4.469 4.350 0.003 0.000 0.301 1242 T C -2.297 172.428 174.700 0.042 0.000 1.323 1242 T CA -1.039 61.079 62.100 0.029 0.000 1.647 1242 T CB 1.296 70.183 68.868 0.032 0.000 0.871 1242 T HN -0.029 nan 8.240 nan 0.000 0.627 1243 P HA 0.014 nan 4.420 nan 0.000 0.218 1243 P C 0.330 177.667 177.300 0.062 0.000 1.148 1243 P CA 0.649 63.776 63.100 0.045 0.000 0.822 1243 P CB 0.266 31.987 31.700 0.036 0.000 0.784 1244 A N -0.659 122.186 122.820 0.042 0.000 2.310 1244 A HA 0.477 4.798 4.320 0.003 0.000 0.304 1244 A C 0.979 178.565 177.584 0.003 0.000 1.231 1244 A CA -0.595 51.452 52.037 0.015 0.000 0.799 1244 A CB 0.085 19.051 19.000 -0.057 0.000 1.162 1244 A HN -0.090 nan 8.150 nan 0.000 0.486 1245 I N 1.808 122.405 120.570 0.044 0.000 2.480 1245 I HA -0.085 4.087 4.170 0.003 0.000 0.251 1245 I C 2.304 178.392 176.117 -0.049 0.000 1.124 1245 I CA 1.086 62.367 61.300 -0.032 0.000 1.444 1245 I CB -0.113 37.773 38.000 -0.189 0.000 1.098 1245 I HN 0.917 nan 8.210 nan 0.000 0.428 1246 H N 0.331 119.317 119.070 -0.140 0.000 2.439 1246 H HA 0.191 4.749 4.556 0.003 0.000 0.299 1246 H C 0.479 175.770 175.328 -0.061 0.000 1.033 1246 H CA 0.212 56.183 56.048 -0.129 0.000 1.348 1246 H CB 0.103 29.834 29.762 -0.051 0.000 1.449 1246 H HN 0.291 nan 8.280 nan 0.000 0.544 1247 Q N 1.992 121.409 119.800 -0.640 0.000 3.090 1247 Q HA 0.222 4.564 4.340 0.003 0.000 0.241 1247 Q C -2.243 173.554 176.000 -0.338 0.000 0.958 1247 Q CA -1.781 53.759 55.803 -0.438 0.000 0.715 1247 Q CB 2.645 31.121 28.738 -0.436 0.000 1.298 1247 Q HN 0.289 nan 8.270 nan 0.000 0.468 1248 P HA -0.020 nan 4.420 nan 0.000 0.227 1248 P C 0.289 177.532 177.300 -0.096 0.000 1.161 1248 P CA 0.585 63.620 63.100 -0.108 0.000 0.788 1248 P CB 0.726 32.415 31.700 -0.019 0.000 0.822 1249 V N 1.431 121.232 119.914 -0.189 0.000 2.538 1249 V HA 0.168 4.289 4.120 0.003 0.000 0.265 1249 V C -0.684 175.196 176.094 -0.357 0.000 0.977 1249 V CA -0.629 61.528 62.300 -0.238 0.000 0.852 1249 V CB 1.072 32.719 31.823 -0.294 0.000 1.058 1249 V HN -0.108 nan 8.190 nan 0.000 0.462 1250 D N 4.414 124.696 120.400 -0.197 0.000 2.483 1250 D HA 0.319 4.960 4.640 0.003 0.000 0.220 1250 D C 0.093 176.434 176.300 0.069 0.000 1.173 1250 D CA 0.009 53.947 54.000 -0.105 0.000 0.964 1250 D CB 0.344 41.110 40.800 -0.056 0.000 1.046 1250 D HN 0.422 nan 8.370 nan 0.000 0.517 1251 L N 2.962 124.112 121.223 -0.122 0.000 2.397 1251 L HA 0.278 4.620 4.340 0.003 0.000 0.271 1251 L C 0.985 177.766 176.870 -0.147 0.000 1.148 1251 L CA -0.240 54.530 54.840 -0.117 0.000 0.825 1251 L CB 0.818 42.762 42.059 -0.192 0.000 1.117 1251 L HN 0.222 nan 8.230 nan 0.000 0.456 1252 M N 1.971 121.399 119.600 -0.287 0.000 2.686 1252 M HA 0.453 4.935 4.480 0.003 0.000 0.262 1252 M C -0.920 175.134 176.300 -0.409 0.000 1.139 1252 M CA -0.490 54.485 55.300 -0.541 0.000 0.928 1252 M CB 1.738 33.836 32.600 -0.836 0.000 1.482 1252 M HN 0.704 nan 8.290 nan 0.000 0.545 1253 D N -1.207 118.910 120.400 -0.473 0.000 2.713 1253 D HA 0.471 5.112 4.640 0.003 0.000 0.306 1253 D C -1.792 174.218 176.300 -0.485 0.000 1.299 1253 D CA -0.603 53.144 54.000 -0.423 0.000 0.823 1253 D CB 0.863 41.420 40.800 -0.404 0.000 1.353 1253 D HN 0.333 nan 8.370 nan 0.000 0.447 1254 F N -0.382 119.327 119.950 -0.402 0.000 2.467 1254 F HA 0.624 5.153 4.527 0.003 0.000 0.336 1254 F C -0.171 175.434 175.800 -0.325 0.000 1.123 1254 F CA -0.301 57.582 58.000 -0.195 0.000 0.964 1254 F CB 2.750 41.761 39.000 0.019 0.000 1.136 1254 F HN 0.204 nan 8.300 nan 0.000 0.447 1255 T N 5.329 119.813 114.554 -0.116 0.000 2.841 1255 T HA 0.569 4.921 4.350 0.003 0.000 0.285 1255 T C -0.680 173.953 174.700 -0.113 0.000 0.991 1255 T CA -0.511 61.448 62.100 -0.236 0.000 0.966 1255 T CB 1.126 69.805 68.868 -0.316 0.000 0.962 1255 T HN 0.142 nan 8.240 nan 0.000 0.438 1256 I N 2.950 123.446 120.570 -0.124 0.000 2.562 1256 I HA 0.368 4.540 4.170 0.003 0.000 0.301 1256 I C 0.680 176.706 176.117 -0.151 0.000 1.003 1256 I CA -1.121 60.072 61.300 -0.178 0.000 1.127 1256 I CB 1.541 39.410 38.000 -0.218 0.000 1.304 1256 I HN 0.648 nan 8.210 nan 0.000 0.446 1257 N N 3.721 122.296 118.700 -0.208 0.000 2.357 1257 N HA -0.096 4.646 4.740 0.003 0.000 0.257 1257 N C 0.848 176.340 175.510 -0.031 0.000 1.250 1257 N CA -0.085 52.885 53.050 -0.134 0.000 0.862 1257 N CB 0.939 39.335 38.487 -0.152 0.000 1.066 1257 N HN 0.542 nan 8.380 nan 0.000 0.468 1258 L N 5.346 126.587 121.223 0.031 0.000 2.079 1258 L HA -0.154 4.188 4.340 0.003 0.000 0.210 1258 L C 1.579 178.531 176.870 0.135 0.000 1.081 1258 L CA 1.854 56.775 54.840 0.134 0.000 0.752 1258 L CB -0.687 41.449 42.059 0.128 0.000 0.896 1258 L HN 0.676 nan 8.230 nan 0.000 0.433 1259 N N -1.494 117.246 118.700 0.067 0.000 2.188 1259 N HA -0.131 4.611 4.740 0.003 0.000 0.184 1259 N C 1.714 177.258 175.510 0.057 0.000 1.018 1259 N CA 0.701 53.786 53.050 0.059 0.000 0.858 1259 N CB -0.060 38.450 38.487 0.038 0.000 0.989 1259 N HN 0.180 nan 8.380 nan 0.000 0.426 1260 R N 0.596 121.111 120.500 0.024 0.000 2.081 1260 R HA -0.128 4.214 4.340 0.003 0.000 0.235 1260 R C 1.883 178.237 176.300 0.090 0.000 1.131 1260 R CA 0.807 56.926 56.100 0.032 0.000 0.960 1260 R CB -1.003 29.185 30.300 -0.185 0.000 0.856 1260 R HN 0.549 nan 8.270 nan 0.000 0.436 1261 W N 2.124 123.339 121.300 -0.141 0.000 2.354 1261 W HA -0.194 4.468 4.660 0.003 0.000 0.315 1261 W C 1.627 178.077 176.519 -0.115 0.000 1.206 1261 W CA 1.307 58.570 57.345 -0.138 0.000 1.290 1261 W CB -0.184 29.128 29.460 -0.247 0.000 1.152 1261 W HN 0.069 nan 8.180 nan 0.000 0.489 1262 R N 0.171 120.653 120.500 -0.029 0.000 2.193 1262 R HA -0.103 4.239 4.340 0.003 0.000 0.229 1262 R C 2.280 178.498 176.300 -0.137 0.000 1.110 1262 R CA 1.616 57.654 56.100 -0.104 0.000 0.988 1262 R CB -0.378 29.942 30.300 0.034 0.000 0.871 1262 R HN 0.018 nan 8.270 nan 0.000 0.458 1263 S N 0.520 116.171 115.700 -0.081 0.000 2.489 1263 S HA 0.003 4.475 4.470 0.003 0.000 0.228 1263 S C 0.492 175.000 174.600 -0.154 0.000 0.995 1263 S CA -0.023 58.156 58.200 -0.036 0.000 0.934 1263 S CB 0.058 63.309 63.200 0.086 0.000 0.771 1263 S HN 0.095 nan 8.310 nan 0.000 0.522 1264 L N 3.295 124.308 121.223 -0.349 0.000 2.367 1264 L HA 0.345 4.687 4.340 0.003 0.000 0.275 1264 L C -2.657 173.880 176.870 -0.554 0.000 1.129 1264 L CA -2.187 52.258 54.840 -0.659 0.000 0.839 1264 L CB 0.069 41.708 42.059 -0.701 0.000 1.133 1264 L HN -0.131 nan 8.230 nan 0.000 0.453 1265 P HA -0.013 nan 4.420 nan 0.000 0.265 1265 P C 0.063 177.173 177.300 -0.316 0.000 1.187 1265 P CA 0.044 62.962 63.100 -0.302 0.000 0.766 1265 P CB 0.479 32.047 31.700 -0.220 0.000 0.820 1266 K N 4.594 124.860 120.400 -0.223 0.000 2.074 1266 K HA -0.171 4.151 4.320 0.003 0.000 0.209 1266 K C -0.924 175.588 176.600 -0.146 0.000 1.048 1266 K CA 2.046 58.222 56.287 -0.186 0.000 0.926 1266 K CB -1.375 31.064 32.500 -0.101 0.000 0.713 1266 K HN 0.375 nan 8.250 nan 0.000 0.444 1267 P HA -0.155 nan 4.420 nan 0.000 0.216 1267 P C 1.088 178.327 177.300 -0.102 0.000 1.150 1267 P CA 1.218 64.268 63.100 -0.083 0.000 0.837 1267 P CB 0.059 31.715 31.700 -0.073 0.000 0.786 1268 L N -1.263 119.852 121.223 -0.181 0.000 2.156 1268 L HA -0.130 4.212 4.340 0.003 0.000 0.208 1268 L C 2.573 179.323 176.870 -0.200 0.000 1.095 1268 L CA 1.244 55.957 54.840 -0.212 0.000 0.770 1268 L CB -0.829 41.021 42.059 -0.348 0.000 0.914 1268 L HN 0.017 nan 8.230 nan 0.000 0.439 1269 Q N -0.130 119.478 119.800 -0.320 0.000 2.050 1269 Q HA -0.207 4.135 4.340 0.003 0.000 0.202 1269 Q C 2.157 178.232 176.000 0.125 0.000 0.980 1269 Q CA 1.347 56.928 55.803 -0.371 0.000 0.840 1269 Q CB 0.004 28.384 28.738 -0.597 0.000 0.898 1269 Q HN 0.393 nan 8.270 nan 0.000 0.424 1270 E N 0.521 120.766 120.200 0.075 0.000 2.110 1270 E HA -0.143 4.209 4.350 0.003 0.000 0.193 1270 E C 1.927 178.617 176.600 0.149 0.000 0.988 1270 E CA 0.914 57.404 56.400 0.150 0.000 0.804 1270 E CB -0.126 29.626 29.700 0.087 0.000 0.745 1270 E HN 0.300 nan 8.360 nan 0.000 0.458 1271 R N -0.443 120.113 120.500 0.093 0.000 2.092 1271 R HA -0.076 4.266 4.340 0.003 0.000 0.231 1271 R C 2.247 178.632 176.300 0.142 0.000 1.119 1271 R CA 0.826 56.975 56.100 0.081 0.000 0.970 1271 R CB -0.338 29.974 30.300 0.020 0.000 0.864 1271 R HN 0.130 nan 8.270 nan 0.000 0.440 1272 F N 1.325 121.319 119.950 0.074 0.000 2.186 1272 F HA -0.071 4.458 4.527 0.003 0.000 0.299 1272 F C 1.970 177.912 175.800 0.237 0.000 1.090 1272 F CA 1.019 59.109 58.000 0.151 0.000 1.307 1272 F CB -0.080 39.074 39.000 0.257 0.000 1.019 1272 F HN -0.132 nan 8.300 nan 0.000 0.489 1273 I N -0.088 120.690 120.570 0.348 0.000 2.179 1273 I HA -0.324 3.847 4.170 0.003 0.000 0.242 1273 I C 2.662 178.855 176.117 0.127 0.000 1.088 1273 I CA 1.289 62.738 61.300 0.248 0.000 1.357 1273 I CB -0.843 37.371 38.000 0.357 0.000 1.051 1273 I HN 0.187 nan 8.210 nan 0.000 0.409 1274 A N 0.624 123.521 122.820 0.129 0.000 1.902 1274 A HA -0.179 4.142 4.320 0.003 0.000 0.217 1274 A C 2.534 180.160 177.584 0.071 0.000 1.181 1274 A CA 1.864 53.962 52.037 0.103 0.000 0.623 1274 A CB -0.884 18.160 19.000 0.074 0.000 0.818 1274 A HN 0.440 nan 8.150 nan 0.000 0.443 1275 A N -0.597 122.229 122.820 0.010 0.000 1.908 1275 A HA -0.032 4.289 4.320 0.003 0.000 0.218 1275 A C 2.222 179.847 177.584 0.069 0.000 1.181 1275 A CA 1.871 53.923 52.037 0.026 0.000 0.627 1275 A CB -0.933 18.018 19.000 -0.083 0.000 0.818 1275 A HN 0.413 nan 8.150 nan 0.000 0.445 1276 V N -0.833 118.971 119.914 -0.184 0.000 2.427 1276 V HA -0.270 3.852 4.120 0.003 0.000 0.248 1276 V C 2.352 178.434 176.094 -0.020 0.000 1.051 1276 V CA 2.264 64.389 62.300 -0.291 0.000 1.048 1276 V CB -0.975 30.561 31.823 -0.478 0.000 0.666 1276 V HN 0.808 nan 8.190 nan 0.000 0.456 1277 H N -0.366 118.679 119.070 -0.040 0.000 2.389 1277 H HA -0.167 4.391 4.556 0.003 0.000 0.299 1277 H C 2.479 177.863 175.328 0.093 0.000 1.081 1277 H CA 1.500 57.551 56.048 0.005 0.000 1.345 1277 H CB 0.371 30.116 29.762 -0.027 0.000 1.393 1277 H HN 0.537 nan 8.280 nan 0.000 0.520 1278 E N -0.092 120.243 120.200 0.226 0.000 2.051 1278 E HA -0.258 4.093 4.350 0.003 0.000 0.192 1278 E C 1.909 178.666 176.600 0.262 0.000 0.991 1278 E CA 1.196 57.720 56.400 0.206 0.000 0.799 1278 E CB -0.264 29.529 29.700 0.154 0.000 0.748 1278 E HN 0.543 nan 8.360 nan 0.000 0.449 1279 Y N 1.291 121.645 120.300 0.089 0.000 2.256 1279 Y HA -0.218 4.333 4.550 0.003 0.000 0.288 1279 Y C 2.556 178.477 175.900 0.035 0.000 1.155 1279 Y CA 1.683 59.806 58.100 0.038 0.000 1.203 1279 Y CB -0.753 37.548 38.460 -0.266 0.000 0.980 1279 Y HN 0.084 nan 8.280 nan 0.000 0.530 1280 S N -0.572 115.040 115.700 -0.148 0.000 2.372 1280 S HA -0.286 4.186 4.470 0.003 0.000 0.227 1280 S C 1.739 176.122 174.600 -0.361 0.000 1.044 1280 S CA 2.123 60.105 58.200 -0.363 0.000 1.050 1280 S CB -0.702 62.288 63.200 -0.349 0.000 0.901 1280 S HN 0.667 nan 8.310 nan 0.000 0.447 1281 W N 0.542 121.870 121.300 0.048 0.000 2.640 1281 W HA 0.296 4.957 4.660 0.003 0.000 0.268 1281 W C 2.075 178.662 176.519 0.115 0.000 1.263 1281 W CA -0.490 56.915 57.345 0.100 0.000 1.344 1281 W CB -0.093 29.398 29.460 0.052 0.000 1.093 1281 W HN 0.252 nan 8.180 nan 0.000 0.603 1282 I N -0.009 120.711 120.570 0.251 0.000 2.252 1282 I HA -0.301 3.871 4.170 0.003 0.000 0.245 1282 I C 2.473 178.655 176.117 0.107 0.000 1.102 1282 I CA 1.764 63.181 61.300 0.194 0.000 1.385 1282 I CB -1.713 36.430 38.000 0.237 0.000 1.064 1282 I HN 0.217 nan 8.210 nan 0.000 0.414 1283 H N 0.163 119.107 119.070 -0.211 0.000 2.293 1283 H HA -0.286 4.272 4.556 0.003 0.000 0.300 1283 H C 2.397 177.694 175.328 -0.051 0.000 1.082 1283 H CA 2.334 58.223 56.048 -0.266 0.000 1.308 1283 H CB -0.380 28.941 29.762 -0.734 0.000 1.375 1283 H HN 0.281 nan 8.280 nan 0.000 0.495 1284 Y N 1.149 121.413 120.300 -0.060 0.000 2.081 1284 Y HA -0.271 4.281 4.550 0.004 0.000 0.280 1284 Y C 2.785 178.690 175.900 0.009 0.000 1.163 1284 Y CA 2.309 60.390 58.100 -0.031 0.000 1.135 1284 Y CB -0.772 37.680 38.460 -0.013 0.000 0.970 1284 Y HN 0.302 nan 8.280 nan 0.000 0.498 1285 A N -0.005 122.911 122.820 0.159 0.000 1.902 1285 A HA -0.104 4.218 4.320 0.003 0.000 0.217 1285 A C 2.474 180.020 177.584 -0.064 0.000 1.181 1285 A CA 1.735 53.817 52.037 0.075 0.000 0.623 1285 A CB -1.708 17.401 19.000 0.182 0.000 0.818 1285 A HN 0.619 nan 8.150 nan 0.000 0.443 1286 G N -0.082 108.674 108.800 -0.073 0.000 2.418 1286 G HA2 -0.137 3.825 3.960 0.003 0.000 0.217 1286 G HA3 -0.137 3.825 3.960 0.003 0.000 0.217 1286 G C 1.414 176.204 174.900 -0.184 0.000 1.158 1286 G CA 1.050 46.089 45.100 -0.101 0.000 0.771 1286 G HN 0.368 nan 8.290 nan 0.000 0.545 1287 I N 0.733 121.132 120.570 -0.285 0.000 2.226 1287 I HA -0.117 4.055 4.170 0.003 0.000 0.245 1287 I C 2.810 178.770 176.117 -0.262 0.000 1.100 1287 I CA 1.034 62.157 61.300 -0.295 0.000 1.374 1287 I CB -0.839 36.973 38.000 -0.312 0.000 1.057 1287 I HN 0.207 nan 8.210 nan 0.000 0.413 1288 Q N 0.618 120.223 119.800 -0.325 0.000 2.119 1288 Q HA -0.200 4.141 4.340 0.003 0.000 0.201 1288 Q C 2.156 178.083 176.000 -0.122 0.000 0.972 1288 Q CA 1.225 56.878 55.803 -0.249 0.000 0.847 1288 Q CB -0.412 28.139 28.738 -0.313 0.000 0.903 1288 Q HN 0.527 nan 8.270 nan 0.000 0.433 1289 K N 0.503 120.839 120.400 -0.106 0.000 2.026 1289 K HA -0.084 4.238 4.320 0.003 0.000 0.208 1289 K C 2.000 178.552 176.600 -0.080 0.000 1.048 1289 K CA 1.213 57.462 56.287 -0.063 0.000 0.929 1289 K CB -0.071 32.399 32.500 -0.050 0.000 0.713 1289 K HN 0.106 nan 8.250 nan 0.000 0.439 1290 A N 1.629 124.379 122.820 -0.116 0.000 1.933 1290 A HA -0.188 4.134 4.320 0.003 0.000 0.218 1290 A C 1.793 179.284 177.584 -0.155 0.000 1.175 1290 A CA 1.753 53.707 52.037 -0.138 0.000 0.628 1290 A CB -0.662 18.241 19.000 -0.162 0.000 0.814 1290 A HN 0.412 nan 8.150 nan 0.000 0.444 1291 N N 0.257 118.868 118.700 -0.147 0.000 2.120 1291 N HA -0.112 4.630 4.740 0.003 0.000 0.188 1291 N C 1.618 177.080 175.510 -0.080 0.000 1.024 1291 N CA 1.392 54.342 53.050 -0.167 0.000 0.852 1291 N CB -0.551 37.880 38.487 -0.093 0.000 1.003 1291 N HN 0.528 nan 8.380 nan 0.000 0.424 1292 L N 1.110 122.346 121.223 0.022 0.000 2.079 1292 L HA -0.156 4.186 4.340 0.003 0.000 0.210 1292 L C 1.931 178.836 176.870 0.059 0.000 1.081 1292 L CA 1.267 56.174 54.840 0.112 0.000 0.752 1292 L CB -0.329 41.768 42.059 0.064 0.000 0.896 1292 L HN 0.197 nan 8.230 nan 0.000 0.433 1293 E N -0.207 119.967 120.200 -0.044 0.000 2.285 1293 E HA -0.106 4.246 4.350 0.003 0.000 0.194 1293 E C 2.237 178.726 176.600 -0.184 0.000 0.997 1293 E CA 0.802 57.145 56.400 -0.094 0.000 0.845 1293 E CB -0.056 29.573 29.700 -0.118 0.000 0.782 1293 E HN 0.488 nan 8.360 nan 0.000 0.491 1294 A N 0.388 123.053 122.820 -0.258 0.000 1.930 1294 A HA -0.114 4.208 4.320 0.003 0.000 0.215 1294 A C 1.606 179.024 177.584 -0.277 0.000 1.176 1294 A CA 0.535 52.305 52.037 -0.445 0.000 0.632 1294 A CB -0.843 17.871 19.000 -0.477 0.000 0.819 1294 A HN 0.338 nan 8.150 nan 0.000 0.445 1295 W N 0.338 121.655 121.300 0.029 0.000 2.321 1295 W HA -0.135 4.527 4.660 0.003 0.000 0.306 1295 W C -0.652 175.907 176.519 0.067 0.000 1.217 1295 W CA 1.503 58.927 57.345 0.131 0.000 1.257 1295 W CB -1.336 28.170 29.460 0.076 0.000 1.145 1295 W HN 0.325 nan 8.180 nan 0.000 0.509 1296 P HA -0.155 nan 4.420 nan 0.000 0.220 1296 P C 0.881 178.180 177.300 -0.001 0.000 1.148 1296 P CA 1.789 64.942 63.100 0.087 0.000 0.803 1296 P CB -0.096 31.621 31.700 0.029 0.000 0.782 1297 K N -1.752 118.541 120.400 -0.179 0.000 2.155 1297 K HA -0.115 4.207 4.320 0.003 0.000 0.203 1297 K C 1.933 178.423 176.600 -0.182 0.000 1.052 1297 K CA 1.202 57.276 56.287 -0.356 0.000 0.948 1297 K CB -0.491 31.415 32.500 -0.990 0.000 0.728 1297 K HN 0.186 nan 8.250 nan 0.000 0.448 1298 Y N 0.889 121.188 120.300 -0.002 0.000 2.242 1298 Y HA -0.239 4.314 4.550 0.005 0.000 0.291 1298 Y C 3.026 179.015 175.900 0.148 0.000 1.137 1298 Y CA 1.781 59.973 58.100 0.153 0.000 1.181 1298 Y CB -0.714 37.883 38.460 0.230 0.000 0.989 1298 Y HN 0.109 nan 8.280 nan 0.000 0.527 1299 R N 0.380 121.047 120.500 0.279 0.000 2.081 1299 R HA -0.165 4.177 4.340 0.003 0.000 0.235 1299 R C 2.122 178.499 176.300 0.129 0.000 1.131 1299 R CA 2.174 58.384 56.100 0.182 0.000 0.960 1299 R CB -1.941 28.444 30.300 0.140 0.000 0.856 1299 R HN 0.525 nan 8.270 nan 0.000 0.436 1300 Q N -0.323 119.535 119.800 0.097 0.000 2.224 1300 Q HA 0.372 4.714 4.340 0.003 0.000 0.203 1300 Q C 2.440 178.502 176.000 0.103 0.000 0.970 1300 Q CA 1.707 57.555 55.803 0.075 0.000 0.865 1300 Q CB -0.578 28.183 28.738 0.039 0.000 0.922 1300 Q HN 1.001 nan 8.270 nan 0.000 0.445 1301 A N -0.829 122.080 122.820 0.150 0.000 2.251 1301 A HA 0.484 4.806 4.320 0.003 0.000 0.209 1301 A C 1.906 179.591 177.584 0.168 0.000 1.187 1301 A CA 1.006 53.162 52.037 0.198 0.000 0.823 1301 A CB -0.533 18.657 19.000 0.318 0.000 0.846 1301 A HN 1.723 nan 8.150 nan 0.000 0.486 1302 G N -1.145 107.735 108.800 0.133 0.000 2.160 1302 G HA2 -0.172 3.789 3.960 0.003 0.000 0.244 1302 G HA3 -0.172 3.789 3.960 0.003 0.000 0.244 1302 G C 0.019 174.954 174.900 0.058 0.000 1.022 1302 G CA 0.187 45.336 45.100 0.082 0.000 0.741 1302 G HN 0.770 nan 8.290 nan 0.000 0.508 1303 V N 0.494 120.490 119.914 0.137 0.000 2.439 1303 V HA 0.512 4.633 4.120 0.003 0.000 0.282 1303 V C 0.586 176.734 176.094 0.090 0.000 1.039 1303 V CA -0.532 61.834 62.300 0.111 0.000 0.913 1303 V CB 1.859 33.866 31.823 0.307 0.000 0.983 1303 V HN 0.442 nan 8.190 nan 0.000 0.460 1304 E N 3.786 123.995 120.200 0.015 0.000 2.197 1304 E HA 0.431 4.783 4.350 0.003 0.000 0.281 1304 E C -1.308 175.373 176.600 0.135 0.000 0.995 1304 E CA -0.566 55.891 56.400 0.095 0.000 0.808 1304 E CB 1.813 31.604 29.700 0.153 0.000 1.093 1304 E HN 0.479 nan 8.360 nan 0.000 0.394 1305 V N 6.835 126.811 119.914 0.103 0.000 2.385 1305 V HA 0.234 4.356 4.120 0.003 0.000 0.269 1305 V C 0.341 176.473 176.094 0.064 0.000 1.043 1305 V CA -0.293 62.050 62.300 0.072 0.000 0.906 1305 V CB 0.569 32.394 31.823 0.004 0.000 0.995 1305 V HN 0.638 nan 8.190 nan 0.000 0.467 1306 I N 6.448 127.066 120.570 0.081 0.000 2.353 1306 I HA 0.484 4.656 4.170 0.003 0.000 0.293 1306 I C 0.107 176.255 176.117 0.051 0.000 0.992 1306 I CA -0.595 60.743 61.300 0.064 0.000 1.268 1306 I CB 1.069 39.102 38.000 0.055 0.000 1.387 1306 I HN 0.428 nan 8.210 nan 0.000 0.478 1307 R N 6.963 127.489 120.500 0.043 0.000 2.387 1307 R HA 0.565 4.907 4.340 0.003 0.000 0.314 1307 R C -0.528 175.818 176.300 0.076 0.000 0.958 1307 R CA -0.844 55.286 56.100 0.050 0.000 0.846 1307 R CB 1.202 31.516 30.300 0.023 0.000 1.147 1307 R HN 0.562 nan 8.270 nan 0.000 0.447 1308 L N 0.891 122.185 121.223 0.119 0.000 2.482 1308 L HA 0.291 4.633 4.340 0.003 0.000 0.242 1308 L C 1.197 178.140 176.870 0.123 0.000 1.210 1308 L CA -0.190 54.746 54.840 0.159 0.000 0.819 1308 L CB 0.413 42.630 42.059 0.264 0.000 1.203 1308 L HN 0.694 nan 8.230 nan 0.000 0.495 1309 S N -1.393 114.384 115.700 0.129 0.000 2.747 1309 S HA 0.300 4.772 4.470 0.003 0.000 0.300 1309 S C 0.562 175.214 174.600 0.086 0.000 1.121 1309 S CA -0.899 57.354 58.200 0.088 0.000 0.995 1309 S CB 1.281 64.523 63.200 0.069 0.000 1.113 1309 S HN 0.528 nan 8.310 nan 0.000 0.547 1310 N N 0.974 119.706 118.700 0.053 0.000 2.223 1310 N HA -0.127 4.615 4.740 0.003 0.000 0.185 1310 N C 1.540 177.069 175.510 0.032 0.000 1.016 1310 N CA 1.394 54.468 53.050 0.040 0.000 0.863 1310 N CB -0.450 38.049 38.487 0.019 0.000 0.983 1310 N HN 0.882 nan 8.380 nan 0.000 0.429 1311 E N 0.989 121.204 120.200 0.024 0.000 2.106 1311 E HA -0.157 4.194 4.350 0.003 0.000 0.192 1311 E C 0.802 177.396 176.600 -0.010 0.000 0.984 1311 E CA 0.980 57.376 56.400 -0.006 0.000 0.806 1311 E CB 0.147 29.840 29.700 -0.012 0.000 0.750 1311 E HN 0.165 nan 8.360 nan 0.000 0.458 1312 D N 0.207 120.649 120.400 0.070 0.000 2.123 1312 D HA -0.156 4.486 4.640 0.003 0.000 0.196 1312 D C 2.063 178.483 176.300 0.199 0.000 0.992 1312 D CA 1.139 55.233 54.000 0.156 0.000 0.833 1312 D CB -0.169 40.817 40.800 0.311 0.000 0.954 1312 D HN 0.135 nan 8.370 nan 0.000 0.455 1313 V N 1.211 121.240 119.914 0.192 0.000 2.343 1313 V HA -0.221 3.901 4.120 0.003 0.000 0.247 1313 V C 2.487 178.639 176.094 0.096 0.000 1.051 1313 V CA 1.475 63.893 62.300 0.197 0.000 1.036 1313 V CB -0.365 31.527 31.823 0.114 0.000 0.654 1313 V HN 0.153 nan 8.190 nan 0.000 0.451 1314 R N 0.059 120.561 120.500 0.003 0.000 2.096 1314 R HA -0.161 4.181 4.340 0.003 0.000 0.235 1314 R C 2.388 178.596 176.300 -0.155 0.000 1.127 1314 R CA 1.373 57.436 56.100 -0.062 0.000 0.968 1314 R CB -0.307 29.948 30.300 -0.075 0.000 0.861 1314 R HN 0.512 nan 8.270 nan 0.000 0.440 1315 K N -0.294 119.926 120.400 -0.300 0.000 2.097 1315 K HA -0.095 4.227 4.320 0.003 0.000 0.205 1315 K C 1.821 178.092 176.600 -0.548 0.000 1.050 1315 K CA 1.225 57.115 56.287 -0.662 0.000 0.938 1315 K CB -0.125 31.556 32.500 -1.364 0.000 0.718 1315 K HN 0.032 nan 8.250 nan 0.000 0.442 1316 F N 1.310 121.127 119.950 -0.222 0.000 2.186 1316 F HA -0.076 4.453 4.527 0.003 0.000 0.299 1316 F C 2.494 178.230 175.800 -0.107 0.000 1.090 1316 F CA 1.085 59.052 58.000 -0.055 0.000 1.307 1316 F CB -0.178 38.810 39.000 -0.019 0.000 1.019 1316 F HN -0.048 nan 8.300 nan 0.000 0.489 1317 R N 0.456 120.996 120.500 0.068 0.000 2.096 1317 R HA -0.138 4.204 4.340 0.003 0.000 0.235 1317 R C 2.271 178.504 176.300 -0.112 0.000 1.127 1317 R CA 1.329 57.415 56.100 -0.025 0.000 0.968 1317 R CB -0.117 30.168 30.300 -0.025 0.000 0.861 1317 R HN 0.180 nan 8.270 nan 0.000 0.440 1318 R N -0.019 120.408 120.500 -0.122 0.000 2.152 1318 R HA -0.092 4.250 4.340 0.003 0.000 0.232 1318 R C 2.165 178.393 176.300 -0.120 0.000 1.117 1318 R CA 1.173 57.193 56.100 -0.135 0.000 0.981 1318 R CB -0.130 30.079 30.300 -0.152 0.000 0.870 1318 R HN 0.292 nan 8.270 nan 0.000 0.451 1319 L N -0.681 120.491 121.223 -0.086 0.000 2.168 1319 L HA 0.080 4.421 4.340 0.003 0.000 0.203 1319 L C 2.590 179.415 176.870 -0.074 0.000 1.078 1319 L CA 0.623 55.438 54.840 -0.043 0.000 0.780 1319 L CB -0.460 41.620 42.059 0.034 0.000 0.939 1319 L HN 0.166 nan 8.230 nan 0.000 0.451 1320 A N 0.907 123.665 122.820 -0.103 0.000 1.858 1320 A HA -0.185 4.137 4.320 0.003 0.000 0.216 1320 A C 2.211 179.416 177.584 -0.632 0.000 1.190 1320 A CA 1.516 53.436 52.037 -0.195 0.000 0.617 1320 A CB -0.713 18.252 19.000 -0.058 0.000 0.827 1320 A HN 0.290 nan 8.150 nan 0.000 0.443 1321 I N 0.030 120.097 120.570 -0.838 0.000 2.151 1321 I HA -0.218 3.954 4.170 0.003 0.000 0.243 1321 I C -0.567 175.361 176.117 -0.314 0.000 1.080 1321 I CA 1.750 62.409 61.300 -1.068 0.000 1.339 1321 I CB -1.311 36.306 38.000 -0.639 0.000 1.039 1321 I HN 0.224 nan 8.210 nan 0.000 0.409 1322 P HA -0.137 nan 4.420 nan 0.000 0.218 1322 P C 1.829 179.191 177.300 0.104 0.000 1.148 1322 P CA 1.494 64.607 63.100 0.021 0.000 0.822 1322 P CB -0.011 31.670 31.700 -0.032 0.000 0.784 1323 I N -2.460 118.134 120.570 0.040 0.000 2.394 1323 I HA -0.186 3.986 4.170 0.003 0.000 0.251 1323 I C 1.933 178.199 176.117 0.249 0.000 1.136 1323 I CA 0.913 62.308 61.300 0.159 0.000 1.425 1323 I CB -0.575 37.502 38.000 0.129 0.000 1.079 1323 I HN 0.007 nan 8.210 nan 0.000 0.425 1324 W N 0.844 122.124 121.300 -0.034 0.000 2.335 1324 W HA -0.175 4.487 4.660 0.003 0.000 0.311 1324 W C 2.397 178.604 176.519 -0.519 0.000 1.213 1324 W CA 0.848 57.982 57.345 -0.353 0.000 1.274 1324 W CB -1.632 27.561 29.460 -0.445 0.000 1.148 1324 W HN 0.089 nan 8.180 nan 0.000 0.498 1325 F N 0.656 120.564 119.950 -0.071 0.000 2.186 1325 F HA -0.150 4.379 4.527 0.003 0.000 0.299 1325 F C 2.470 178.256 175.800 -0.023 0.000 1.090 1325 F CA 1.993 59.929 58.000 -0.106 0.000 1.307 1325 F CB -0.779 38.229 39.000 0.013 0.000 1.019 1325 F HN -0.162 nan 8.300 nan 0.000 0.489 1326 K N -0.581 119.943 120.400 0.206 0.000 2.057 1326 K HA -0.224 4.098 4.320 0.003 0.000 0.207 1326 K C 1.966 178.592 176.600 0.044 0.000 1.049 1326 K CA 1.899 58.253 56.287 0.111 0.000 0.931 1326 K CB -0.421 32.151 32.500 0.119 0.000 0.714 1326 K HN 0.252 nan 8.250 nan 0.000 0.440 1327 W N 0.537 121.855 121.300 0.031 0.000 2.436 1327 W HA 0.066 4.728 4.660 0.003 0.000 0.284 1327 W C 2.327 178.938 176.519 0.152 0.000 1.225 1327 W CA 1.081 58.483 57.345 0.095 0.000 1.271 1327 W CB -0.357 29.124 29.460 0.035 0.000 1.114 1327 W HN 0.209 nan 8.180 nan 0.000 0.559 1328 A N 1.243 124.158 122.820 0.158 0.000 1.940 1328 A HA -0.240 4.082 4.320 0.003 0.000 0.219 1328 A C 1.909 179.450 177.584 -0.072 0.000 1.176 1328 A CA 2.099 54.010 52.037 -0.210 0.000 0.631 1328 A CB -0.842 17.836 19.000 -0.537 0.000 0.814 1328 A HN 0.460 nan 8.150 nan 0.000 0.446 1329 K N -0.732 119.661 120.400 -0.011 0.000 2.487 1329 K HA 0.195 4.517 4.320 0.003 0.000 0.192 1329 K C 1.521 178.102 176.600 -0.031 0.000 1.027 1329 K CA 0.648 56.932 56.287 -0.004 0.000 1.054 1329 K CB -0.253 32.261 32.500 0.024 0.000 0.824 1329 K HN 0.432 nan 8.250 nan 0.000 0.510 1330 M N 1.718 121.292 119.600 -0.044 0.000 2.080 1330 M HA -0.146 4.336 4.480 0.003 0.000 0.260 1330 M C 0.266 176.543 176.300 -0.040 0.000 1.068 1330 M CA 1.698 56.952 55.300 -0.076 0.000 1.109 1330 M CB -0.404 32.129 32.600 -0.113 0.000 1.342 1330 M HN 0.457 nan 8.290 nan 0.000 0.405 1331 D N -1.772 118.623 120.400 -0.008 0.000 2.752 1331 D HA 0.140 4.782 4.640 0.003 0.000 0.313 1331 D C 0.112 176.386 176.300 -0.043 0.000 1.225 1331 D CA -0.669 53.322 54.000 -0.015 0.000 0.976 1331 D CB 0.275 41.087 40.800 0.020 0.000 1.443 1331 D HN 0.082 nan 8.370 nan 0.000 0.515 1332 K N -0.687 119.641 120.400 -0.121 0.000 2.097 1332 K HA -0.179 4.143 4.320 0.003 0.000 0.206 1332 K C 1.332 177.805 176.600 -0.210 0.000 1.049 1332 K CA 1.219 57.377 56.287 -0.215 0.000 0.933 1332 K CB -0.590 31.697 32.500 -0.356 0.000 0.717 1332 K HN 0.324 nan 8.250 nan 0.000 0.442 1333 Y N 2.538 122.837 120.300 -0.002 0.000 2.220 1333 Y HA -0.123 4.429 4.550 0.003 0.000 0.291 1333 Y C 3.057 178.952 175.900 -0.008 0.000 1.129 1333 Y CA 1.272 59.376 58.100 0.007 0.000 1.161 1333 Y CB -0.489 37.982 38.460 0.019 0.000 0.997 1333 Y HN 0.315 nan 8.280 nan 0.000 0.522 1334 S N 0.388 116.173 115.700 0.142 0.000 2.382 1334 S HA -0.250 4.222 4.470 0.003 0.000 0.228 1334 S C 2.126 176.590 174.600 -0.227 0.000 1.027 1334 S CA 1.266 59.448 58.200 -0.030 0.000 0.991 1334 S CB -0.540 62.727 63.200 0.112 0.000 0.823 1334 S HN 0.472 nan 8.310 nan 0.000 0.469 1335 R N 1.372 121.814 120.500 -0.096 0.000 2.081 1335 R HA -0.095 4.247 4.340 0.003 0.000 0.235 1335 R C 2.506 178.770 176.300 -0.061 0.000 1.131 1335 R CA 1.702 57.757 56.100 -0.076 0.000 0.960 1335 R CB -0.406 29.871 30.300 -0.038 0.000 0.856 1335 R HN 0.706 nan 8.270 nan 0.000 0.436 1336 E N -0.272 119.910 120.200 -0.030 0.000 2.051 1336 E HA -0.187 4.165 4.350 0.003 0.000 0.192 1336 E C 1.800 178.419 176.600 0.033 0.000 0.991 1336 E CA 1.237 57.642 56.400 0.008 0.000 0.799 1336 E CB -0.118 29.610 29.700 0.048 0.000 0.748 1336 E HN 0.484 nan 8.360 nan 0.000 0.449 1337 A N 0.508 123.355 122.820 0.044 0.000 1.873 1337 A HA -0.165 4.157 4.320 0.003 0.000 0.215 1337 A C 2.002 179.507 177.584 -0.131 0.000 1.186 1337 A CA 1.279 53.383 52.037 0.111 0.000 0.616 1337 A CB -0.843 18.242 19.000 0.143 0.000 0.823 1337 A HN 0.503 nan 8.150 nan 0.000 0.442 1338 F N 1.022 120.636 119.950 -0.559 0.000 2.186 1338 F HA 0.034 4.562 4.527 0.003 0.000 0.299 1338 F C 2.462 178.076 175.800 -0.311 0.000 1.090 1338 F CA 0.792 58.426 58.000 -0.609 0.000 1.307 1338 F CB -0.493 37.955 39.000 -0.921 0.000 1.019 1338 F HN 0.245 nan 8.300 nan 0.000 0.489 1339 A N 0.024 122.663 122.820 -0.302 0.000 1.883 1339 A HA -0.239 4.083 4.320 0.003 0.000 0.217 1339 A C 2.400 179.838 177.584 -0.243 0.000 1.186 1339 A CA 2.500 54.370 52.037 -0.279 0.000 0.624 1339 A CB -1.449 17.494 19.000 -0.096 0.000 0.822 1339 A HN 0.518 nan 8.150 nan 0.000 0.444 1340 S N -0.814 114.827 115.700 -0.099 0.000 2.406 1340 S HA -0.168 4.303 4.470 0.003 0.000 0.228 1340 S C 1.914 176.509 174.600 -0.008 0.000 1.020 1340 S CA 1.181 59.398 58.200 0.028 0.000 0.965 1340 S CB -0.442 62.880 63.200 0.203 0.000 0.798 1340 S HN 0.674 nan 8.310 nan 0.000 0.488 1341 Q N 0.305 119.953 119.800 -0.252 0.000 2.119 1341 Q HA 0.063 4.405 4.340 0.003 0.000 0.201 1341 Q C 2.172 177.926 176.000 -0.411 0.000 0.972 1341 Q CA 1.250 56.769 55.803 -0.473 0.000 0.847 1341 Q CB -0.354 27.960 28.738 -0.706 0.000 0.903 1341 Q HN 0.502 nan 8.270 nan 0.000 0.433 1342 L N 1.121 121.974 121.223 -0.617 0.000 2.056 1342 L HA -0.180 4.162 4.340 0.003 0.000 0.207 1342 L C 2.181 178.925 176.870 -0.210 0.000 1.078 1342 L CA 1.915 56.438 54.840 -0.528 0.000 0.749 1342 L CB -0.383 41.166 42.059 -0.850 0.000 0.901 1342 L HN 0.188 nan 8.230 nan 0.000 0.433 1343 E N -1.785 118.323 120.200 -0.153 0.000 2.110 1343 E HA -0.305 4.047 4.350 0.003 0.000 0.193 1343 E C 2.175 178.800 176.600 0.042 0.000 0.988 1343 E CA 1.268 57.647 56.400 -0.036 0.000 0.804 1343 E CB -0.357 29.329 29.700 -0.024 0.000 0.745 1343 E HN 0.604 nan 8.360 nan 0.000 0.458 1344 Y N 0.930 121.152 120.300 -0.129 0.000 2.163 1344 Y HA -0.135 4.417 4.550 0.003 0.000 0.288 1344 Y C 2.000 177.812 175.900 -0.147 0.000 1.136 1344 Y CA 1.637 59.663 58.100 -0.124 0.000 1.147 1344 Y CB -0.438 37.942 38.460 -0.132 0.000 0.987 1344 Y HN 0.056 nan 8.280 nan 0.000 0.509 1345 M N -0.091 119.381 119.600 -0.213 0.000 2.149 1345 M HA -0.257 4.225 4.480 0.003 0.000 0.261 1345 M C 2.097 178.379 176.300 -0.030 0.000 1.064 1345 M CA 1.852 57.013 55.300 -0.232 0.000 1.102 1345 M CB -0.301 32.223 32.600 -0.125 0.000 1.369 1345 M HN 0.154 nan 8.290 nan 0.000 0.408 1346 K N -0.116 120.291 120.400 0.012 0.000 2.057 1346 K HA -0.087 4.235 4.320 0.003 0.000 0.207 1346 K C 2.072 178.704 176.600 0.053 0.000 1.049 1346 K CA 1.353 57.672 56.287 0.054 0.000 0.931 1346 K CB -0.477 32.053 32.500 0.051 0.000 0.714 1346 K HN 0.445 nan 8.250 nan 0.000 0.440 1347 G N 1.863 110.695 108.800 0.054 0.000 2.432 1347 G HA2 -0.194 3.768 3.960 0.003 0.000 0.219 1347 G HA3 -0.194 3.768 3.960 0.003 0.000 0.219 1347 G C 1.386 176.323 174.900 0.062 0.000 1.135 1347 G CA 0.906 46.049 45.100 0.073 0.000 0.767 1347 G HN 0.461 nan 8.290 nan 0.000 0.550 1348 I N -3.257 117.322 120.570 0.015 0.000 3.941 1348 I HA 0.519 4.691 4.170 0.003 0.000 0.335 1348 I C 1.242 177.436 176.117 0.128 0.000 1.402 1348 I CA 0.190 61.501 61.300 0.019 0.000 1.112 1348 I CB 0.117 38.029 38.000 -0.147 0.000 1.043 1348 I HN 0.133 nan 8.210 nan 0.000 0.395 1349 G N 1.407 110.282 108.800 0.125 0.000 2.198 1349 G HA2 -0.328 3.634 3.960 0.003 0.000 0.257 1349 G HA3 -0.328 3.634 3.960 0.003 0.000 0.257 1349 G C 0.094 175.111 174.900 0.196 0.000 1.042 1349 G CA 0.404 45.588 45.100 0.139 0.000 0.791 1349 G HN 0.516 nan 8.290 nan 0.000 0.502 1350 Y N -1.157 119.133 120.300 -0.017 0.000 2.511 1350 Y HA 0.510 5.062 4.550 0.003 0.000 0.279 1350 Y C 1.396 177.355 175.900 0.097 0.000 1.157 1350 Y CA 0.429 58.535 58.100 0.011 0.000 1.300 1350 Y CB 0.888 39.313 38.460 -0.059 0.000 1.052 1350 Y HN 0.419 nan 8.280 nan 0.000 0.529 1351 V N 0.048 120.093 119.914 0.220 0.000 2.851 1351 V HA 0.459 4.581 4.120 0.003 0.000 0.307 1351 V C -0.490 175.689 176.094 0.142 0.000 1.129 1351 V CA -0.505 61.923 62.300 0.214 0.000 0.932 1351 V CB 1.970 33.987 31.823 0.324 0.000 1.024 1351 V HN 0.169 nan 8.190 nan 0.000 0.426 1352 T N 1.261 115.879 114.554 0.107 0.000 2.934 1352 T HA 0.415 4.767 4.350 0.003 0.000 0.283 1352 T C 0.550 175.296 174.700 0.076 0.000 1.005 1352 T CA -0.396 61.749 62.100 0.074 0.000 1.041 1352 T CB 1.471 70.365 68.868 0.044 0.000 1.042 1352 T HN 0.631 nan 8.240 nan 0.000 0.505 1353 D N 0.992 121.428 120.400 0.058 0.000 2.144 1353 D HA -0.028 4.614 4.640 0.003 0.000 0.200 1353 D C 2.476 178.795 176.300 0.032 0.000 0.978 1353 D CA 1.716 55.747 54.000 0.052 0.000 0.833 1353 D CB -0.536 40.288 40.800 0.039 0.000 0.961 1353 D HN 0.915 nan 8.370 nan 0.000 0.470 1354 E N 1.929 122.142 120.200 0.021 0.000 2.058 1354 E HA -0.244 4.108 4.350 0.003 0.000 0.194 1354 E C 1.732 178.329 176.600 -0.005 0.000 0.997 1354 E CA 1.683 58.085 56.400 0.003 0.000 0.801 1354 E CB -1.122 28.577 29.700 -0.001 0.000 0.746 1354 E HN 0.709 nan 8.360 nan 0.000 0.450 1355 E N -0.045 120.158 120.200 0.006 0.000 2.478 1355 E HA 0.046 4.398 4.350 0.003 0.000 0.198 1355 E C 1.878 178.472 176.600 -0.011 0.000 1.046 1355 E CA 0.702 57.095 56.400 -0.010 0.000 0.870 1355 E CB -0.159 29.536 29.700 -0.008 0.000 0.818 1355 E HN 0.538 nan 8.360 nan 0.000 0.527 1356 L N 0.627 121.859 121.223 0.015 0.000 2.592 1356 L HA 0.130 4.471 4.340 0.003 0.000 0.227 1356 L C 1.399 178.214 176.870 -0.092 0.000 1.127 1356 L CA 0.118 54.953 54.840 -0.009 0.000 0.884 1356 L CB -0.275 41.842 42.059 0.096 0.000 1.065 1356 L HN 0.062 nan 8.230 nan 0.000 0.457 1357 K N 0.891 121.254 120.400 -0.062 0.000 2.472 1357 K HA 0.368 4.690 4.320 0.003 0.000 0.280 1357 K C 1.256 177.794 176.600 -0.103 0.000 1.028 1357 K CA 0.509 56.755 56.287 -0.068 0.000 1.045 1357 K CB -0.456 32.016 32.500 -0.045 0.000 0.902 1357 K HN 0.441 nan 8.250 nan 0.000 0.478 1358 G N 0.529 109.265 108.800 -0.108 0.000 2.199 1358 G HA2 -0.197 3.765 3.960 0.003 0.000 0.254 1358 G HA3 -0.197 3.765 3.960 0.003 0.000 0.254 1358 G C 0.191 174.983 174.900 -0.180 0.000 0.982 1358 G CA 0.353 45.383 45.100 -0.117 0.000 0.632 1358 G HN 0.758 nan 8.290 nan 0.000 0.529 1359 L N 0.918 121.965 121.223 -0.294 0.000 2.334 1359 L HA 0.819 5.161 4.340 0.003 0.000 0.272 1359 L C 0.592 177.136 176.870 -0.543 0.000 1.020 1359 L CA -0.184 54.331 54.840 -0.541 0.000 0.812 1359 L CB 2.053 43.526 42.059 -0.977 0.000 1.264 1359 L HN 0.607 nan 8.230 nan 0.000 0.439 1360 S N 1.196 116.634 115.700 -0.437 0.000 2.636 1360 S HA 0.606 5.078 4.470 0.003 0.000 0.266 1360 S C -1.049 173.694 174.600 0.240 0.000 1.147 1360 S CA -1.018 57.150 58.200 -0.054 0.000 0.815 1360 S CB 1.000 64.195 63.200 -0.008 0.000 1.119 1360 S HN 0.431 nan 8.310 nan 0.000 0.470 1361 L N 0.000 121.412 121.223 0.314 0.000 2.949 1361 L HA 0.000 4.342 4.340 0.003 0.000 0.249 1361 L CA 0.000 54.997 54.840 0.262 0.000 0.813 1361 L CB 0.000 42.197 42.059 0.230 0.000 0.961 1361 L HN 0.000 nan 8.230 nan 0.000 0.502