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 3izh_1_C DATA FIRST_RESID 1027 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEIKETET DAEIRITDPA DATA SEQUENCE KLMEFIEQEE KMLKDMVAEI KASGANVLFC QKGIDDLAQH YLAKEGIVAA DATA SEQUENCE RRVKKSDMEK LAKATGANVI TNIKDLSAQD LGDAGLVEER KISGDSMIFV DATA SEQUENCE EECKHPKAVT MLIRGTTEHV IEEVARAVDD AVGVVGCTIE DGRIVSGGGS DATA SEQUENCE TEVELSMKLR EYAEGISGRE QLAVRAFADA LEVIPRTLAE NAGLDAIEIL DATA SEQUENCE VKVRAAHASN GNKCAGLNVF TGAVEDMCEN GVVEPLRVKT QAIQSAAEST DATA SEQUENCE EMLLRIDDVI AAE 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 1027 V HA 0.000 nan 4.120 nan 0.000 0.244 1027 V C 0.000 176.088 176.094 -0.010 0.000 1.182 1027 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 1027 V CB 0.000 31.817 31.823 -0.009 0.000 1.184 1028 L N 2.508 123.723 121.223 -0.013 0.000 2.325 1028 L HA 0.553 4.893 4.340 -0.000 0.000 0.279 1028 L C -2.188 174.674 176.870 -0.014 0.000 1.054 1028 L CA -1.543 53.289 54.840 -0.013 0.000 0.804 1028 L CB 0.864 42.912 42.059 -0.017 0.000 1.200 1028 L HN 0.163 nan 8.230 nan 0.000 0.436 1029 P HA -0.008 nan 4.420 nan 0.000 0.264 1029 P C -0.445 176.846 177.300 -0.014 0.000 1.193 1029 P CA -0.144 62.949 63.100 -0.011 0.000 0.763 1029 P CB 0.402 32.097 31.700 -0.009 0.000 0.810 1030 E N 3.250 123.441 120.200 -0.014 0.000 2.452 1030 E HA -0.114 4.236 4.350 -0.000 0.000 0.261 1030 E C 0.844 177.435 176.600 -0.015 0.000 0.987 1030 E CA 0.390 56.781 56.400 -0.016 0.000 0.926 1030 E CB 0.010 29.702 29.700 -0.014 0.000 0.934 1030 E HN 0.618 nan 8.360 nan 0.000 0.452 1031 N N 2.456 121.145 118.700 -0.018 0.000 2.990 1031 N HA -0.146 4.594 4.740 -0.000 0.000 0.163 1031 N C -0.614 174.885 175.510 -0.018 0.000 1.452 1031 N CA 0.223 53.264 53.050 -0.016 0.000 1.624 1031 N CB -0.631 37.850 38.487 -0.011 0.000 1.088 1031 N HN 0.388 nan 8.380 nan 0.000 0.695 1032 M N 2.059 121.646 119.600 -0.020 0.000 2.228 1032 M HA 0.227 4.707 4.480 -0.000 0.000 0.351 1032 M C 0.300 176.578 176.300 -0.037 0.000 1.233 1032 M CA 0.554 55.841 55.300 -0.021 0.000 1.129 1032 M CB 0.841 33.430 32.600 -0.018 0.000 1.604 1032 M HN 0.162 nan 8.290 nan 0.000 0.457 1033 K N 2.273 122.653 120.400 -0.034 0.000 2.316 1033 K HA 0.621 4.941 4.320 -0.000 0.000 0.251 1033 K C -1.213 175.344 176.600 -0.073 0.000 0.934 1033 K CA -0.573 55.668 56.287 -0.077 0.000 0.802 1033 K CB 1.963 34.441 32.500 -0.038 0.000 1.171 1033 K HN 0.676 nan 8.250 nan 0.000 0.426 1034 R N 3.087 123.460 120.500 -0.212 0.000 2.621 1034 R HA 0.430 4.770 4.340 -0.000 0.000 0.284 1034 R C -1.520 174.570 176.300 -0.350 0.000 0.998 1034 R CA -0.598 55.420 56.100 -0.136 0.000 0.895 1034 R CB 0.893 31.152 30.300 -0.070 0.000 1.195 1034 R HN 0.626 nan 8.270 nan 0.000 0.450 1035 Y N 4.203 124.508 120.300 0.007 0.000 2.462 1035 Y HA 0.541 5.091 4.550 -0.000 0.000 0.346 1035 Y C 0.274 176.181 175.900 0.011 0.000 0.976 1035 Y CA -0.950 57.158 58.100 0.013 0.000 1.044 1035 Y CB 2.228 40.703 38.460 0.026 0.000 1.230 1035 Y HN 0.426 nan 8.280 nan 0.000 0.455 1036 M N 0.859 120.544 119.600 0.141 0.000 2.618 1036 M HA 0.858 5.338 4.480 -0.000 0.000 0.281 1036 M C 0.179 176.519 176.300 0.066 0.000 1.267 1036 M CA -0.145 55.204 55.300 0.080 0.000 0.845 1036 M CB 1.349 33.972 32.600 0.040 0.000 1.732 1036 M HN 0.877 nan 8.290 nan 0.000 0.461 1037 G N 2.283 111.109 108.800 0.043 0.000 2.574 1037 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.286 1037 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.286 1037 G C 0.507 175.425 174.900 0.030 0.000 1.212 1037 G CA 1.067 46.183 45.100 0.027 0.000 0.979 1037 G HN 1.179 nan 8.290 nan 0.000 0.557 1038 R N 0.438 120.952 120.500 0.024 0.000 2.189 1038 R HA -0.043 4.297 4.340 -0.000 0.000 0.223 1038 R C 2.068 178.388 176.300 0.034 0.000 1.092 1038 R CA 1.947 58.059 56.100 0.020 0.000 0.989 1038 R CB -0.373 29.934 30.300 0.012 0.000 0.876 1038 R HN 0.596 nan 8.270 nan 0.000 0.457 1039 D N 0.258 120.695 120.400 0.061 0.000 2.123 1039 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 1039 D C 1.705 178.058 176.300 0.088 0.000 0.976 1039 D CA 1.404 55.463 54.000 0.099 0.000 0.831 1039 D CB -0.126 40.779 40.800 0.175 0.000 0.974 1039 D HN 0.361 nan 8.370 nan 0.000 0.469 1040 A N 0.957 123.838 122.820 0.102 0.000 1.933 1040 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 1040 A C 2.152 179.746 177.584 0.017 0.000 1.175 1040 A CA 1.321 53.402 52.037 0.075 0.000 0.628 1040 A CB -0.516 18.537 19.000 0.089 0.000 0.814 1040 A HN 0.194 nan 8.150 nan 0.000 0.444 1041 Q N -1.108 118.702 119.800 0.016 0.000 2.046 1041 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 1041 Q C 2.423 178.415 176.000 -0.014 0.000 0.975 1041 Q CA 1.440 57.244 55.803 0.001 0.000 0.836 1041 Q CB -0.198 28.542 28.738 0.002 0.000 0.896 1041 Q HN 0.689 nan 8.270 nan 0.000 0.428 1042 R N 0.690 121.182 120.500 -0.013 0.000 2.083 1042 R HA -0.172 4.168 4.340 -0.000 0.000 0.237 1042 R C 2.292 178.558 176.300 -0.056 0.000 1.137 1042 R CA 1.680 57.764 56.100 -0.025 0.000 0.951 1042 R CB -0.214 30.078 30.300 -0.012 0.000 0.851 1042 R HN 0.293 nan 8.270 nan 0.000 0.434 1043 M N 0.472 120.022 119.600 -0.082 0.000 2.086 1043 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 1043 M C 1.867 178.087 176.300 -0.132 0.000 1.067 1043 M CA 2.336 57.548 55.300 -0.146 0.000 1.116 1043 M CB -0.330 32.121 32.600 -0.248 0.000 1.348 1043 M HN 0.160 nan 8.290 nan 0.000 0.407 1044 N N 0.535 119.186 118.700 -0.082 0.000 2.069 1044 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 1044 N C 1.466 176.944 175.510 -0.054 0.000 1.031 1044 N CA 2.060 55.078 53.050 -0.055 0.000 0.852 1044 N CB -0.354 38.120 38.487 -0.021 0.000 1.018 1044 N HN 0.494 nan 8.380 nan 0.000 0.423 1045 I N -0.411 120.133 120.570 -0.044 0.000 2.179 1045 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 1045 I C 1.704 177.791 176.117 -0.050 0.000 1.088 1045 I CA 0.584 61.863 61.300 -0.034 0.000 1.357 1045 I CB -0.200 37.787 38.000 -0.023 0.000 1.051 1045 I HN 0.194 nan 8.210 nan 0.000 0.409 1046 L N 0.692 121.874 121.223 -0.068 0.000 2.046 1046 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 1046 L C 2.679 179.490 176.870 -0.098 0.000 1.077 1046 L CA 2.127 56.920 54.840 -0.077 0.000 0.747 1046 L CB -1.269 40.738 42.059 -0.087 0.000 0.896 1046 L HN 0.201 nan 8.230 nan 0.000 0.432 1047 A N -0.623 122.115 122.820 -0.137 0.000 1.877 1047 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 1047 A C 2.428 179.957 177.584 -0.092 0.000 1.186 1047 A CA 1.745 53.687 52.037 -0.158 0.000 0.620 1047 A CB -1.386 17.477 19.000 -0.229 0.000 0.822 1047 A HN 0.438 nan 8.150 nan 0.000 0.443 1048 G N -0.398 108.363 108.800 -0.066 0.000 2.418 1048 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 1048 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 1048 G C 1.702 176.580 174.900 -0.036 0.000 1.158 1048 G CA 1.375 46.451 45.100 -0.040 0.000 0.771 1048 G HN 0.552 nan 8.290 nan 0.000 0.545 1049 R N 0.766 121.243 120.500 -0.039 0.000 2.073 1049 R HA 0.040 4.380 4.340 -0.000 0.000 0.234 1049 R C 2.468 178.747 176.300 -0.034 0.000 1.134 1049 R CA 1.360 57.441 56.100 -0.033 0.000 0.952 1049 R CB -0.790 29.491 30.300 -0.032 0.000 0.850 1049 R HN 0.433 nan 8.270 nan 0.000 0.433 1050 I N 0.210 120.754 120.570 -0.044 0.000 2.226 1050 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 1050 I C 1.835 177.931 176.117 -0.034 0.000 1.100 1050 I CA 0.828 62.103 61.300 -0.041 0.000 1.374 1050 I CB -0.282 37.686 38.000 -0.052 0.000 1.057 1050 I HN 0.160 nan 8.210 nan 0.000 0.413 1051 I N 1.097 121.646 120.570 -0.035 0.000 2.226 1051 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 1051 I C 2.848 178.952 176.117 -0.021 0.000 1.100 1051 I CA 1.709 62.994 61.300 -0.025 0.000 1.374 1051 I CB -1.478 36.508 38.000 -0.023 0.000 1.057 1051 I HN 0.189 nan 8.210 nan 0.000 0.413 1052 A N 0.317 123.123 122.820 -0.022 0.000 1.933 1052 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 1052 A C 2.151 179.723 177.584 -0.020 0.000 1.175 1052 A CA 1.310 53.334 52.037 -0.020 0.000 0.628 1052 A CB -0.406 18.581 19.000 -0.021 0.000 0.814 1052 A HN 0.373 nan 8.150 nan 0.000 0.444 1053 E N -0.465 119.722 120.200 -0.021 0.000 2.150 1053 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 1053 E C 1.999 178.589 176.600 -0.017 0.000 0.985 1053 E CA 1.522 57.910 56.400 -0.020 0.000 0.814 1053 E CB -0.589 29.098 29.700 -0.021 0.000 0.752 1053 E HN 0.590 nan 8.360 nan 0.000 0.466 1054 T N 0.933 115.477 114.554 -0.017 0.000 2.857 1054 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 1054 T C 2.099 176.792 174.700 -0.011 0.000 1.048 1054 T CA 1.487 63.579 62.100 -0.013 0.000 1.139 1054 T CB 0.007 68.867 68.868 -0.013 0.000 0.874 1054 T HN 0.201 nan 8.240 nan 0.000 0.455 1055 V N 0.131 120.038 119.914 -0.012 0.000 2.992 1055 V HA 0.272 4.392 4.120 -0.000 0.000 0.250 1055 V C 2.265 178.352 176.094 -0.012 0.000 1.090 1055 V CA 0.735 63.029 62.300 -0.011 0.000 1.101 1055 V CB -0.692 31.125 31.823 -0.010 0.000 0.743 1055 V HN 0.223 nan 8.190 nan 0.000 0.468 1056 R N 2.251 122.742 120.500 -0.015 0.000 2.211 1056 R HA -0.164 4.176 4.340 -0.000 0.000 0.240 1056 R C 2.174 178.465 176.300 -0.014 0.000 1.144 1056 R CA 1.872 57.962 56.100 -0.017 0.000 0.992 1056 R CB -0.448 29.840 30.300 -0.020 0.000 0.869 1056 R HN 0.794 nan 8.270 nan 0.000 0.462 1057 S N -1.662 114.031 115.700 -0.012 0.000 2.595 1057 S HA -0.034 4.436 4.470 -0.000 0.000 0.235 1057 S C 1.284 175.880 174.600 -0.006 0.000 0.974 1057 S CA 1.165 59.360 58.200 -0.009 0.000 0.942 1057 S CB 0.332 63.528 63.200 -0.007 0.000 0.766 1057 S HN 0.272 nan 8.310 nan 0.000 0.536 1058 T N 1.223 115.773 114.554 -0.007 0.000 3.015 1058 T HA 0.336 4.686 4.350 -0.000 0.000 0.250 1058 T C 0.275 174.972 174.700 -0.006 0.000 1.057 1058 T CA -0.422 61.675 62.100 -0.004 0.000 1.066 1058 T CB -0.150 68.716 68.868 -0.003 0.000 0.959 1058 T HN 0.291 nan 8.240 nan 0.000 0.488 1059 L N 2.499 123.716 121.223 -0.010 0.000 2.499 1059 L HA 0.463 4.803 4.340 -0.000 0.000 0.273 1059 L C 0.721 177.583 176.870 -0.014 0.000 1.195 1059 L CA 1.253 56.085 54.840 -0.014 0.000 0.882 1059 L CB -0.771 41.276 42.059 -0.019 0.000 1.133 1059 L HN 0.442 nan 8.230 nan 0.000 0.483 1060 G N 3.865 112.657 108.800 -0.014 0.000 2.663 1060 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 1060 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 1060 G C -1.999 172.897 174.900 -0.007 0.000 1.288 1060 G CA -0.451 44.640 45.100 -0.015 0.000 0.836 1060 G HN 0.502 nan 8.290 nan 0.000 0.584 1061 P HA -0.002 nan 4.420 nan 0.000 0.218 1061 P C 1.397 178.707 177.300 0.017 0.000 1.148 1061 P CA 1.271 64.374 63.100 0.005 0.000 0.822 1061 P CB 0.134 31.831 31.700 -0.004 0.000 0.784 1062 K N -0.505 119.902 120.400 0.010 0.000 2.446 1062 K HA 0.257 4.577 4.320 -0.000 0.000 0.203 1062 K C 0.967 177.573 176.600 0.011 0.000 1.027 1062 K CA -0.048 56.251 56.287 0.018 0.000 1.166 1062 K CB -0.150 32.360 32.500 0.016 0.000 0.869 1062 K HN 0.063 nan 8.250 nan 0.000 0.504 1063 G N 1.854 110.658 108.800 0.007 0.000 2.442 1063 G HA2 0.314 4.274 3.960 -0.000 0.000 0.249 1063 G HA3 0.314 4.274 3.960 -0.000 0.000 0.249 1063 G C 0.310 175.214 174.900 0.007 0.000 1.263 1063 G CA -0.422 44.680 45.100 0.003 0.000 0.846 1063 G HN 0.197 nan 8.290 nan 0.000 0.555 1064 M N 0.699 120.302 119.600 0.005 0.000 2.792 1064 M HA 0.731 5.211 4.480 -0.000 0.000 0.294 1064 M C -0.819 175.484 176.300 0.005 0.000 1.215 1064 M CA -1.041 54.263 55.300 0.007 0.000 0.883 1064 M CB 1.828 34.431 32.600 0.006 0.000 1.620 1064 M HN 0.459 nan 8.290 nan 0.000 0.511 1065 D N -0.681 119.723 120.400 0.005 0.000 2.340 1065 D HA 0.578 5.218 4.640 -0.000 0.000 0.243 1065 D C -1.436 174.865 176.300 0.002 0.000 0.988 1065 D CA -0.784 53.218 54.000 0.004 0.000 0.959 1065 D CB 1.404 42.207 40.800 0.005 0.000 1.226 1065 D HN 0.640 nan 8.370 nan 0.000 0.509 1066 K N -0.114 120.287 120.400 0.001 0.000 2.267 1066 K HA 0.483 4.803 4.320 -0.000 0.000 0.246 1066 K C -0.919 175.682 176.600 0.000 0.000 0.954 1066 K CA -1.041 55.246 56.287 0.000 0.000 0.824 1066 K CB 2.327 34.827 32.500 -0.001 0.000 1.167 1066 K HN 0.483 nan 8.250 nan 0.000 0.431 1067 M N 3.581 123.180 119.600 -0.000 0.000 2.078 1067 M HA 0.316 4.796 4.480 -0.000 0.000 0.320 1067 M C -1.859 174.441 176.300 -0.001 0.000 0.969 1067 M CA -0.966 54.333 55.300 -0.001 0.000 0.929 1067 M CB 0.653 33.252 32.600 -0.001 0.000 1.504 1067 M HN 0.382 nan 8.290 nan 0.000 0.419 1068 L N 5.940 127.162 121.223 -0.001 0.000 2.298 1068 L HA 0.533 4.873 4.340 -0.000 0.000 0.284 1068 L C -0.944 175.926 176.870 -0.001 0.000 1.013 1068 L CA -0.325 54.515 54.840 -0.000 0.000 0.824 1068 L CB 1.961 44.020 42.059 -0.000 0.000 1.221 1068 L HN 0.439 nan 8.230 nan 0.000 0.418 1069 V N 3.168 123.082 119.914 -0.000 0.000 2.326 1069 V HA 0.300 4.420 4.120 -0.000 0.000 0.281 1069 V C -0.268 175.826 176.094 0.000 0.000 1.015 1069 V CA -1.050 61.250 62.300 -0.000 0.000 0.823 1069 V CB 1.197 33.020 31.823 -0.001 0.000 1.009 1069 V HN 0.796 nan 8.190 nan 0.000 0.436 1070 D N 3.487 123.888 120.400 0.000 0.000 2.369 1070 D HA -0.060 4.580 4.640 -0.000 0.000 0.241 1070 D C 1.132 177.433 176.300 0.001 0.000 1.271 1070 D CA -0.198 53.803 54.000 0.001 0.000 0.942 1070 D CB 0.609 41.409 40.800 0.001 0.000 1.129 1070 D HN 0.589 nan 8.370 nan 0.000 0.476 1071 D N -0.398 120.003 120.400 0.001 0.000 2.351 1071 D HA -0.160 4.480 4.640 -0.000 0.000 0.216 1071 D C 1.611 177.912 176.300 0.001 0.000 0.968 1071 D CA 0.620 54.621 54.000 0.001 0.000 0.899 1071 D CB -0.137 40.664 40.800 0.002 0.000 0.907 1071 D HN 0.419 nan 8.370 nan 0.000 0.514 1072 L N -0.983 120.240 121.223 0.001 0.000 2.463 1072 L HA 0.295 4.635 4.340 -0.000 0.000 0.219 1072 L C 1.980 178.850 176.870 -0.000 0.000 1.088 1072 L CA 0.610 55.450 54.840 0.000 0.000 0.849 1072 L CB 0.230 42.289 42.059 0.000 0.000 1.012 1072 L HN 0.323 nan 8.230 nan 0.000 0.468 1073 G N -0.580 108.219 108.800 -0.000 0.000 2.278 1073 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.210 1073 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.210 1073 G C 0.123 175.022 174.900 -0.001 0.000 1.000 1073 G CA -0.066 45.033 45.100 -0.001 0.000 0.635 1073 G HN 0.290 nan 8.290 nan 0.000 0.495 1074 D N 1.024 121.423 120.400 -0.001 0.000 2.472 1074 D HA 0.383 5.023 4.640 -0.000 0.000 0.237 1074 D C 0.350 176.650 176.300 -0.002 0.000 1.141 1074 D CA 0.509 54.508 54.000 -0.001 0.000 0.875 1074 D CB 1.199 41.998 40.800 -0.001 0.000 1.192 1074 D HN 0.383 nan 8.370 nan 0.000 0.450 1075 V N 4.221 124.133 119.914 -0.002 0.000 2.540 1075 V HA 0.404 4.524 4.120 -0.000 0.000 0.302 1075 V C -0.174 175.918 176.094 -0.003 0.000 1.035 1075 V CA -0.936 61.362 62.300 -0.002 0.000 0.873 1075 V CB 1.812 33.633 31.823 -0.003 0.000 0.992 1075 V HN 0.402 nan 8.190 nan 0.000 0.428 1076 V N 6.289 126.202 119.914 -0.002 0.000 2.487 1076 V HA 0.680 4.800 4.120 -0.000 0.000 0.298 1076 V C -0.877 175.216 176.094 -0.002 0.000 1.028 1076 V CA -0.247 62.052 62.300 -0.002 0.000 0.860 1076 V CB 2.106 33.928 31.823 -0.001 0.000 0.991 1076 V HN 0.644 nan 8.190 nan 0.000 0.427 1077 V N 6.331 126.244 119.914 -0.002 0.000 2.376 1077 V HA 0.706 4.826 4.120 -0.000 0.000 0.287 1077 V C 0.056 176.150 176.094 -0.000 0.000 1.015 1077 V CA -0.012 62.288 62.300 -0.001 0.000 0.834 1077 V CB 1.364 33.185 31.823 -0.002 0.000 1.001 1077 V HN 1.026 nan 8.190 nan 0.000 0.428 1078 T N 2.547 117.102 114.554 0.001 0.000 2.787 1078 T HA 0.377 4.727 4.350 -0.000 0.000 0.297 1078 T C 0.249 174.950 174.700 0.002 0.000 1.221 1078 T CA -0.176 61.925 62.100 0.001 0.000 1.006 1078 T CB 1.943 70.811 68.868 0.001 0.000 1.328 1078 T HN 0.654 nan 8.240 nan 0.000 0.509 1079 N N 0.541 119.242 118.700 0.002 0.000 2.273 1079 N HA 0.120 4.860 4.740 -0.000 0.000 0.192 1079 N C -0.104 175.406 175.510 0.000 0.000 1.132 1079 N CA -0.146 52.905 53.050 0.002 0.000 0.887 1079 N CB -0.165 38.324 38.487 0.003 0.000 1.048 1079 N HN 0.603 nan 8.380 nan 0.000 0.490 1080 D N 0.441 120.841 120.400 0.001 0.000 2.450 1080 D HA 0.243 4.883 4.640 -0.000 0.000 0.247 1080 D C 1.463 177.762 176.300 -0.001 0.000 1.162 1080 D CA 0.303 54.303 54.000 0.000 0.000 0.879 1080 D CB 1.057 41.858 40.800 0.001 0.000 1.163 1080 D HN 0.244 nan 8.370 nan 0.000 0.472 1081 G N 2.486 111.285 108.800 -0.001 0.000 2.421 1081 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 1081 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 1081 G C 1.555 176.455 174.900 -0.001 0.000 1.171 1081 G CA 0.728 45.827 45.100 -0.002 0.000 0.775 1081 G HN 0.491 nan 8.290 nan 0.000 0.543 1082 V N 0.966 120.880 119.914 0.000 0.000 2.287 1082 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 1082 V C 3.150 179.245 176.094 0.002 0.000 1.053 1082 V CA 2.417 64.718 62.300 0.001 0.000 1.027 1082 V CB -1.044 30.780 31.823 0.002 0.000 0.646 1082 V HN 0.384 nan 8.190 nan 0.000 0.447 1083 T N 0.234 114.789 114.554 0.001 0.000 2.708 1083 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 1083 T C 1.834 176.534 174.700 0.001 0.000 1.037 1083 T CA 1.882 63.983 62.100 0.001 0.000 1.146 1083 T CB -0.313 68.556 68.868 0.001 0.000 0.865 1083 T HN 0.338 nan 8.240 nan 0.000 0.435 1084 I N 0.462 121.032 120.570 0.000 0.000 2.163 1084 I HA -0.169 4.001 4.170 -0.000 0.000 0.243 1084 I C 2.069 178.186 176.117 0.000 0.000 1.085 1084 I CA 1.081 62.381 61.300 -0.000 0.000 1.347 1084 I CB -0.281 37.718 38.000 -0.001 0.000 1.044 1084 I HN 0.168 nan 8.210 nan 0.000 0.408 1085 L N 0.020 121.244 121.223 0.001 0.000 2.179 1085 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 1085 L C 2.476 179.348 176.870 0.004 0.000 1.096 1085 L CA 1.413 56.254 54.840 0.002 0.000 0.779 1085 L CB -0.924 41.136 42.059 0.001 0.000 0.922 1085 L HN 0.146 nan 8.230 nan 0.000 0.443 1086 R N -0.002 120.500 120.500 0.003 0.000 2.075 1086 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 1086 R C 1.910 178.212 176.300 0.004 0.000 1.126 1086 R CA 1.263 57.365 56.100 0.004 0.000 0.963 1086 R CB 0.036 30.338 30.300 0.003 0.000 0.858 1086 R HN 0.326 nan 8.270 nan 0.000 0.435 1087 E N 0.582 120.783 120.200 0.003 0.000 2.072 1087 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 1087 E C 1.172 177.774 176.600 0.003 0.000 0.982 1087 E CA 0.293 56.694 56.400 0.003 0.000 0.803 1087 E CB -0.282 29.419 29.700 0.002 0.000 0.755 1087 E HN 0.301 nan 8.360 nan 0.000 0.453 1088 M N 0.861 120.463 119.600 0.003 0.000 2.252 1088 M HA -0.053 4.427 4.480 -0.000 0.000 0.321 1088 M C 0.144 176.448 176.300 0.007 0.000 1.070 1088 M CA 0.487 55.790 55.300 0.004 0.000 1.143 1088 M CB 0.578 33.180 32.600 0.004 0.000 1.498 1088 M HN -0.188 nan 8.290 nan 0.000 0.445 1089 S N 4.009 119.713 115.700 0.008 0.000 2.512 1089 S HA 0.423 4.893 4.470 -0.000 0.000 0.291 1089 S C -0.803 173.806 174.600 0.014 0.000 1.151 1089 S CA -0.853 57.353 58.200 0.010 0.000 1.120 1089 S CB 0.001 63.206 63.200 0.008 0.000 1.029 1089 S HN 0.531 nan 8.310 nan 0.000 0.485 1090 V N 4.969 124.893 119.914 0.017 0.000 2.732 1090 V HA 0.328 4.448 4.120 -0.000 0.000 0.297 1090 V C 1.013 177.127 176.094 0.032 0.000 1.060 1090 V CA -0.117 62.199 62.300 0.027 0.000 1.038 1090 V CB 1.488 33.329 31.823 0.030 0.000 1.003 1090 V HN 0.800 nan 8.190 nan 0.000 0.481 1091 E N 0.657 120.886 120.200 0.047 0.000 2.288 1091 E HA 0.073 4.423 4.350 -0.000 0.000 0.200 1091 E C 0.678 177.308 176.600 0.050 0.000 0.880 1091 E CA -0.038 56.387 56.400 0.041 0.000 0.971 1091 E CB 0.011 29.733 29.700 0.038 0.000 0.954 1091 E HN 0.693 nan 8.360 nan 0.000 0.489 1092 H N 2.800 121.867 119.070 -0.005 0.000 2.886 1092 H HA 0.018 4.574 4.556 0.000 0.000 0.329 1092 H C -1.721 173.601 175.328 -0.010 0.000 1.044 1092 H CA -1.190 54.852 56.048 -0.011 0.000 1.456 1092 H CB 1.503 31.250 29.762 -0.026 0.000 1.464 1092 H HN -0.172 nan 8.280 nan 0.000 0.573 1093 P HA -0.126 nan 4.420 nan 0.000 0.215 1093 P C 1.126 178.489 177.300 0.105 0.000 1.153 1093 P CA 1.985 65.075 63.100 -0.016 0.000 0.853 1093 P CB 0.098 31.745 31.700 -0.088 0.000 0.788 1094 A N -0.117 122.875 122.820 0.287 0.000 1.933 1094 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 1094 A C 2.298 179.949 177.584 0.111 0.000 1.175 1094 A CA 2.036 54.194 52.037 0.201 0.000 0.628 1094 A CB -1.539 17.575 19.000 0.191 0.000 0.814 1094 A HN 0.201 nan 8.150 nan 0.000 0.444 1095 A N -0.190 122.713 122.820 0.139 0.000 1.929 1095 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 1095 A C 2.068 179.679 177.584 0.046 0.000 1.176 1095 A CA 1.588 53.653 52.037 0.048 0.000 0.628 1095 A CB -0.372 18.651 19.000 0.038 0.000 0.816 1095 A HN 0.521 nan 8.150 nan 0.000 0.444 1096 K N -1.004 119.432 120.400 0.061 0.000 2.147 1096 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 1096 K C 2.031 178.649 176.600 0.030 0.000 1.049 1096 K CA 1.572 57.882 56.287 0.038 0.000 0.936 1096 K CB -0.236 32.284 32.500 0.033 0.000 0.722 1096 K HN 0.600 nan 8.250 nan 0.000 0.446 1097 M N 0.706 120.327 119.600 0.036 0.000 2.254 1097 M HA -0.091 4.389 4.480 -0.000 0.000 0.265 1097 M C 1.915 178.227 176.300 0.020 0.000 1.066 1097 M CA 0.990 56.306 55.300 0.027 0.000 1.123 1097 M CB 0.119 32.737 32.600 0.031 0.000 1.388 1097 M HN 0.112 nan 8.290 nan 0.000 0.425 1098 L N 0.780 122.014 121.223 0.018 0.000 2.156 1098 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 1098 L C 1.921 178.797 176.870 0.009 0.000 1.095 1098 L CA 1.370 56.216 54.840 0.010 0.000 0.770 1098 L CB -0.603 41.457 42.059 0.002 0.000 0.914 1098 L HN 0.275 nan 8.230 nan 0.000 0.439 1099 I N -0.074 120.503 120.570 0.011 0.000 2.315 1099 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 1099 I C 2.358 178.481 176.117 0.009 0.000 1.125 1099 I CA 1.109 62.415 61.300 0.010 0.000 1.392 1099 I CB -1.286 36.721 38.000 0.011 0.000 1.065 1099 I HN 0.387 nan 8.210 nan 0.000 0.424 1100 E N 0.649 120.855 120.200 0.011 0.000 2.150 1100 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 1100 E C 2.486 179.092 176.600 0.010 0.000 0.985 1100 E CA 0.794 57.200 56.400 0.011 0.000 0.814 1100 E CB -0.226 29.481 29.700 0.012 0.000 0.752 1100 E HN 0.343 nan 8.360 nan 0.000 0.466 1101 V N 1.755 121.676 119.914 0.010 0.000 2.287 1101 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 1101 V C 2.506 178.605 176.094 0.008 0.000 1.053 1101 V CA 1.948 64.254 62.300 0.010 0.000 1.027 1101 V CB -0.940 30.889 31.823 0.010 0.000 0.646 1101 V HN 0.251 nan 8.190 nan 0.000 0.447 1102 A N -0.352 122.471 122.820 0.006 0.000 1.902 1102 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 1102 A C 2.304 179.891 177.584 0.005 0.000 1.181 1102 A CA 2.031 54.071 52.037 0.005 0.000 0.623 1102 A CB -0.443 18.559 19.000 0.003 0.000 0.818 1102 A HN 0.557 nan 8.150 nan 0.000 0.443 1103 K N -1.019 119.384 120.400 0.006 0.000 2.097 1103 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 1103 K C 2.025 178.629 176.600 0.007 0.000 1.050 1103 K CA 1.673 57.963 56.287 0.006 0.000 0.938 1103 K CB -0.335 32.169 32.500 0.006 0.000 0.718 1103 K HN 0.462 nan 8.250 nan 0.000 0.442 1104 T N 0.976 115.535 114.554 0.008 0.000 2.867 1104 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 1104 T C 1.802 176.507 174.700 0.008 0.000 1.057 1104 T CA 1.131 63.236 62.100 0.009 0.000 1.136 1104 T CB -0.081 68.793 68.868 0.010 0.000 0.874 1104 T HN 0.153 nan 8.240 nan 0.000 0.466 1105 Q N 1.181 120.986 119.800 0.008 0.000 2.084 1105 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 1105 Q C 2.291 178.294 176.000 0.006 0.000 0.978 1105 Q CA 1.427 57.234 55.803 0.007 0.000 0.844 1105 Q CB -0.227 28.515 28.738 0.006 0.000 0.898 1105 Q HN 0.362 nan 8.270 nan 0.000 0.426 1106 E N 0.176 120.379 120.200 0.005 0.000 2.047 1106 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 1106 E C 1.714 178.317 176.600 0.005 0.000 0.987 1106 E CA 1.131 57.533 56.400 0.004 0.000 0.799 1106 E CB 0.079 29.782 29.700 0.004 0.000 0.752 1106 E HN 0.368 nan 8.360 nan 0.000 0.449 1107 K N 0.209 120.613 120.400 0.005 0.000 2.057 1107 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 1107 K C 2.110 178.713 176.600 0.006 0.000 1.050 1107 K CA 1.088 57.378 56.287 0.005 0.000 0.935 1107 K CB 0.053 32.556 32.500 0.006 0.000 0.715 1107 K HN 0.028 nan 8.250 nan 0.000 0.439 1108 E N 0.088 120.292 120.200 0.007 0.000 2.051 1108 E HA -0.074 4.276 4.350 -0.000 0.000 0.189 1108 E C 2.041 178.645 176.600 0.007 0.000 0.979 1108 E CA 1.148 57.553 56.400 0.007 0.000 0.803 1108 E CB 0.204 29.909 29.700 0.009 0.000 0.761 1108 E HN 0.073 nan 8.360 nan 0.000 0.451 1109 V N -1.506 118.412 119.914 0.007 0.000 3.484 1109 V HA 0.290 4.410 4.120 -0.000 0.000 0.252 1109 V C 1.475 177.571 176.094 0.005 0.000 1.282 1109 V CA 0.734 63.038 62.300 0.006 0.000 1.104 1109 V CB 0.717 32.545 31.823 0.007 0.000 0.868 1109 V HN 0.411 nan 8.190 nan 0.000 0.457 1110 G N 0.719 109.521 108.800 0.004 0.000 5.064 1110 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.277 1110 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.277 1110 G C 0.042 174.944 174.900 0.003 0.000 1.580 1110 G CA 0.339 45.441 45.100 0.003 0.000 1.109 1110 G HN 0.464 nan 8.290 nan 0.000 0.695 1111 D N 1.632 122.034 120.400 0.002 0.000 2.383 1111 D HA 0.509 5.149 4.640 -0.000 0.000 0.248 1111 D C 1.418 177.718 176.300 0.000 0.000 1.170 1111 D CA 1.459 55.460 54.000 0.001 0.000 0.977 1111 D CB 0.590 41.391 40.800 0.001 0.000 1.120 1111 D HN 1.826 nan 8.370 nan 0.000 0.481 1112 G N 0.086 108.885 108.800 -0.002 0.000 2.141 1112 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.231 1112 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.231 1112 G C 1.075 175.973 174.900 -0.004 0.000 0.984 1112 G CA 1.267 46.364 45.100 -0.004 0.000 0.660 1112 G HN 0.653 nan 8.290 nan 0.000 0.525 1113 T N -2.352 112.200 114.554 -0.002 0.000 2.674 1113 T HA -0.126 4.224 4.350 -0.000 0.000 0.265 1113 T C 2.232 176.929 174.700 -0.005 0.000 1.039 1113 T CA 2.663 64.762 62.100 -0.002 0.000 1.150 1113 T CB -0.739 68.129 68.868 -0.001 0.000 0.864 1113 T HN 0.334 nan 8.240 nan 0.000 0.427 1114 T N 1.762 116.312 114.554 -0.007 0.000 2.777 1114 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 1114 T C 2.311 177.003 174.700 -0.014 0.000 1.040 1114 T CA 1.732 63.826 62.100 -0.010 0.000 1.141 1114 T CB -0.960 67.903 68.868 -0.010 0.000 0.868 1114 T HN 0.526 nan 8.240 nan 0.000 0.444 1115 T N 2.290 116.835 114.554 -0.015 0.000 2.652 1115 T HA -0.091 4.258 4.350 -0.000 0.000 0.267 1115 T C 2.418 177.105 174.700 -0.022 0.000 1.039 1115 T CA 1.324 63.411 62.100 -0.022 0.000 1.153 1115 T CB -0.630 68.225 68.868 -0.021 0.000 0.863 1115 T HN 0.435 nan 8.240 nan 0.000 0.428 1116 A N 0.774 123.586 122.820 -0.014 0.000 1.933 1116 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 1116 A C 2.604 180.184 177.584 -0.008 0.000 1.175 1116 A CA 1.316 53.348 52.037 -0.009 0.000 0.628 1116 A CB -0.955 18.044 19.000 -0.000 0.000 0.814 1116 A HN 0.359 nan 8.150 nan 0.000 0.444 1117 V N -0.567 119.341 119.914 -0.009 0.000 2.307 1117 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 1117 V C 2.578 178.663 176.094 -0.015 0.000 1.045 1117 V CA 1.926 64.220 62.300 -0.009 0.000 1.024 1117 V CB -0.630 31.188 31.823 -0.009 0.000 0.651 1117 V HN 0.369 nan 8.190 nan 0.000 0.449 1118 V N -0.690 119.212 119.914 -0.020 0.000 2.307 1118 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 1118 V C 2.423 178.496 176.094 -0.034 0.000 1.045 1118 V CA 1.999 64.284 62.300 -0.026 0.000 1.024 1118 V CB -0.274 31.531 31.823 -0.029 0.000 0.651 1118 V HN 0.412 nan 8.190 nan 0.000 0.449 1119 V N 0.111 120.001 119.914 -0.041 0.000 2.358 1119 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 1119 V C 2.595 178.663 176.094 -0.044 0.000 1.047 1119 V CA 2.098 64.362 62.300 -0.060 0.000 1.035 1119 V CB -0.372 31.407 31.823 -0.072 0.000 0.658 1119 V HN 0.520 nan 8.190 nan 0.000 0.452 1120 A N -0.190 122.618 122.820 -0.020 0.000 1.933 1120 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 1120 A C 2.307 179.896 177.584 0.009 0.000 1.175 1120 A CA 1.885 53.925 52.037 0.004 0.000 0.628 1120 A CB -1.220 17.786 19.000 0.011 0.000 0.814 1120 A HN 0.617 nan 8.150 nan 0.000 0.444 1121 G N -0.648 108.149 108.800 -0.005 0.000 2.414 1121 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.215 1121 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.215 1121 G C 1.429 176.328 174.900 -0.003 0.000 1.188 1121 G CA 0.854 45.950 45.100 -0.005 0.000 0.783 1121 G HN 0.451 nan 8.290 nan 0.000 0.537 1122 E N 0.393 120.584 120.200 -0.015 0.000 2.106 1122 E HA -0.011 4.339 4.350 -0.000 0.000 0.192 1122 E C 2.694 179.294 176.600 0.000 0.000 0.984 1122 E CA 0.383 56.772 56.400 -0.018 0.000 0.806 1122 E CB -0.249 29.426 29.700 -0.043 0.000 0.750 1122 E HN 0.415 nan 8.360 nan 0.000 0.458 1123 L N 0.132 121.356 121.223 0.001 0.000 2.056 1123 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 1123 L C 2.395 179.355 176.870 0.150 0.000 1.078 1123 L CA 0.530 55.404 54.840 0.057 0.000 0.749 1123 L CB -0.284 41.791 42.059 0.027 0.000 0.901 1123 L HN 0.132 nan 8.230 nan 0.000 0.433 1124 L N -0.371 120.906 121.223 0.090 0.000 2.093 1124 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 1124 L C 2.674 179.575 176.870 0.052 0.000 1.085 1124 L CA 1.537 56.421 54.840 0.073 0.000 0.755 1124 L CB -0.779 41.305 42.059 0.043 0.000 0.904 1124 L HN 0.163 nan 8.230 nan 0.000 0.435 1125 R N -0.359 120.163 120.500 0.037 0.000 2.066 1125 R HA -0.218 4.122 4.340 -0.000 0.000 0.232 1125 R C 2.281 178.603 176.300 0.035 0.000 1.131 1125 R CA 1.571 57.685 56.100 0.023 0.000 0.955 1125 R CB -0.060 30.246 30.300 0.009 0.000 0.851 1125 R HN 0.056 nan 8.270 nan 0.000 0.432 1126 K N 0.366 120.799 120.400 0.055 0.000 2.148 1126 K HA -0.010 4.310 4.320 -0.000 0.000 0.204 1126 K C 1.668 178.324 176.600 0.094 0.000 1.050 1126 K CA 1.505 57.836 56.287 0.075 0.000 0.942 1126 K CB -0.204 32.351 32.500 0.092 0.000 0.724 1126 K HN 0.298 nan 8.250 nan 0.000 0.446 1127 A N 0.704 123.589 122.820 0.108 0.000 1.930 1127 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 1127 A C 2.113 179.704 177.584 0.012 0.000 1.175 1127 A CA 1.518 53.586 52.037 0.051 0.000 0.627 1127 A CB -0.525 18.503 19.000 0.048 0.000 0.815 1127 A HN 0.419 nan 8.150 nan 0.000 0.443 1128 E N 0.139 120.350 120.200 0.019 0.000 2.204 1128 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 1128 E C 1.848 178.451 176.600 0.004 0.000 0.989 1128 E CA 1.215 57.618 56.400 0.005 0.000 0.824 1128 E CB -0.157 29.546 29.700 0.005 0.000 0.756 1128 E HN 0.789 nan 8.360 nan 0.000 0.477 1129 E N 0.133 120.341 120.200 0.014 0.000 2.204 1129 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 1129 E C 2.229 178.835 176.600 0.010 0.000 0.990 1129 E CA 0.603 57.011 56.400 0.013 0.000 0.821 1129 E CB 0.038 29.750 29.700 0.021 0.000 0.750 1129 E HN 0.279 nan 8.360 nan 0.000 0.477 1130 L N 0.251 121.479 121.223 0.008 0.000 2.131 1130 L HA -0.108 4.232 4.340 -0.000 0.000 0.206 1130 L C 2.459 179.323 176.870 -0.010 0.000 1.087 1130 L CA 0.470 55.310 54.840 0.000 0.000 0.767 1130 L CB -0.291 41.762 42.059 -0.010 0.000 0.917 1130 L HN 0.209 nan 8.230 nan 0.000 0.441 1131 L N -0.097 121.116 121.223 -0.017 0.000 2.046 1131 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 1131 L C 2.172 179.029 176.870 -0.022 0.000 1.077 1131 L CA 1.456 56.279 54.840 -0.028 0.000 0.747 1131 L CB -0.511 41.529 42.059 -0.031 0.000 0.896 1131 L HN 0.283 nan 8.230 nan 0.000 0.432 1132 D N -0.799 119.593 120.400 -0.012 0.000 2.219 1132 D HA -0.183 4.457 4.640 -0.000 0.000 0.205 1132 D C 2.128 178.425 176.300 -0.005 0.000 0.970 1132 D CA 0.797 54.792 54.000 -0.008 0.000 0.851 1132 D CB 0.192 40.990 40.800 -0.003 0.000 0.943 1132 D HN 0.142 nan 8.370 nan 0.000 0.488 1133 Q N 0.166 119.964 119.800 -0.003 0.000 2.482 1133 Q HA 0.037 4.377 4.340 -0.000 0.000 0.209 1133 Q C 0.007 176.006 176.000 -0.001 0.000 0.961 1133 Q CA 0.295 56.099 55.803 0.000 0.000 0.945 1133 Q CB -0.032 28.709 28.738 0.005 0.000 1.012 1133 Q HN 0.366 nan 8.270 nan 0.000 0.515 1134 N N -0.387 118.308 118.700 -0.008 0.000 2.814 1134 N HA -0.124 4.616 4.740 -0.000 0.000 0.247 1134 N C -1.190 174.320 175.510 -0.000 0.000 1.089 1134 N CA 0.381 53.425 53.050 -0.011 0.000 0.682 1134 N CB -1.698 36.786 38.487 -0.006 0.000 0.970 1134 N HN -0.026 nan 8.380 nan 0.000 0.554 1135 V N 1.723 121.636 119.914 -0.001 0.000 2.328 1135 V HA 0.122 4.242 4.120 -0.000 0.000 0.278 1135 V C 0.914 177.026 176.094 0.029 0.000 1.021 1135 V CA -0.767 61.544 62.300 0.018 0.000 0.838 1135 V CB 1.323 33.150 31.823 0.008 0.000 0.999 1135 V HN 0.331 nan 8.190 nan 0.000 0.447 1136 H N 9.457 128.511 119.070 -0.025 0.000 3.167 1136 H HA 0.001 4.557 4.556 0.000 0.000 0.306 1136 H C -1.410 173.893 175.328 -0.041 0.000 0.965 1136 H CA -1.102 54.930 56.048 -0.027 0.000 1.408 1136 H CB 1.482 31.231 29.762 -0.022 0.000 1.406 1136 H HN 0.373 nan 8.280 nan 0.000 0.576 1137 P HA -0.157 nan 4.420 nan 0.000 0.219 1137 P C 1.511 178.901 177.300 0.149 0.000 1.146 1137 P CA 1.335 64.486 63.100 0.085 0.000 0.808 1137 P CB 0.097 31.802 31.700 0.008 0.000 0.779 1138 T N -0.796 113.964 114.554 0.343 0.000 2.881 1138 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 1138 T C 1.774 176.457 174.700 -0.028 0.000 1.068 1138 T CA 0.838 62.963 62.100 0.042 0.000 1.131 1138 T CB -0.646 68.092 68.868 -0.217 0.000 0.871 1138 T HN -0.007 nan 8.240 nan 0.000 0.479 1139 I N 0.169 120.737 120.570 -0.003 0.000 2.233 1139 I HA -0.091 4.079 4.170 -0.000 0.000 0.243 1139 I C 2.453 178.525 176.117 -0.076 0.000 1.093 1139 I CA 0.718 61.997 61.300 -0.034 0.000 1.380 1139 I CB -0.353 37.643 38.000 -0.007 0.000 1.067 1139 I HN 0.087 nan 8.210 nan 0.000 0.413 1140 V N 0.393 120.242 119.914 -0.109 0.000 2.287 1140 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 1140 V C 2.411 178.259 176.094 -0.410 0.000 1.053 1140 V CA 1.880 64.008 62.300 -0.287 0.000 1.027 1140 V CB -0.530 31.122 31.823 -0.285 0.000 0.646 1140 V HN 0.360 nan 8.190 nan 0.000 0.447 1141 V N -0.306 119.485 119.914 -0.206 0.000 2.427 1141 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 1141 V C 2.579 178.654 176.094 -0.032 0.000 1.051 1141 V CA 2.295 64.537 62.300 -0.098 0.000 1.048 1141 V CB -0.404 31.406 31.823 -0.022 0.000 0.666 1141 V HN 0.507 nan 8.190 nan 0.000 0.456 1142 K N 0.146 120.518 120.400 -0.047 0.000 2.025 1142 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 1142 K C 2.116 178.706 176.600 -0.017 0.000 1.049 1142 K CA 1.691 57.962 56.287 -0.027 0.000 0.933 1142 K CB -0.945 31.532 32.500 -0.038 0.000 0.714 1142 K HN 0.555 nan 8.250 nan 0.000 0.438 1143 G N 0.275 109.060 108.800 -0.024 0.000 2.440 1143 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 1143 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 1143 G C 1.403 176.365 174.900 0.102 0.000 1.154 1143 G CA 0.698 45.813 45.100 0.025 0.000 0.767 1143 G HN 0.253 nan 8.290 nan 0.000 0.552 1144 Y N 0.887 121.160 120.300 -0.046 0.000 2.200 1144 Y HA -0.051 4.498 4.550 -0.000 0.000 0.290 1144 Y C 3.113 178.865 175.900 -0.247 0.000 1.137 1144 Y CA 0.728 58.780 58.100 -0.080 0.000 1.163 1144 Y CB -0.780 37.781 38.460 0.169 0.000 0.988 1144 Y HN 0.199 nan 8.280 nan 0.000 0.518 1145 Q N -0.304 119.531 119.800 0.058 0.000 2.030 1145 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 1145 Q C 2.596 178.532 176.000 -0.108 0.000 0.986 1145 Q CA 1.638 57.433 55.803 -0.014 0.000 0.843 1145 Q CB -0.717 28.025 28.738 0.006 0.000 0.904 1145 Q HN 0.451 nan 8.270 nan 0.000 0.420 1146 A N 1.038 123.797 122.820 -0.100 0.000 1.883 1146 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 1146 A C 2.323 179.801 177.584 -0.176 0.000 1.186 1146 A CA 2.164 54.136 52.037 -0.108 0.000 0.624 1146 A CB -0.753 18.206 19.000 -0.068 0.000 0.822 1146 A HN 0.400 nan 8.150 nan 0.000 0.444 1147 A N -0.341 122.292 122.820 -0.312 0.000 1.930 1147 A HA 0.205 4.525 4.320 -0.000 0.000 0.217 1147 A C 2.490 179.708 177.584 -0.611 0.000 1.175 1147 A CA 1.975 53.730 52.037 -0.471 0.000 0.627 1147 A CB -0.953 17.626 19.000 -0.701 0.000 0.815 1147 A HN 1.038 nan 8.150 nan 0.000 0.443 1148 A N -1.084 121.274 122.820 -0.771 0.000 1.877 1148 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 1148 A C 2.212 179.735 177.584 -0.101 0.000 1.186 1148 A CA 1.791 53.635 52.037 -0.322 0.000 0.620 1148 A CB -0.534 18.387 19.000 -0.132 0.000 0.822 1148 A HN 0.506 nan 8.150 nan 0.000 0.443 1149 Q N -0.125 119.613 119.800 -0.104 0.000 2.124 1149 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 1149 Q C 2.006 177.984 176.000 -0.035 0.000 0.977 1149 Q CA 2.110 57.883 55.803 -0.049 0.000 0.850 1149 Q CB -0.173 28.536 28.738 -0.049 0.000 0.901 1149 Q HN 0.539 nan 8.270 nan 0.000 0.429 1150 K N 0.378 120.748 120.400 -0.050 0.000 2.211 1150 K HA 0.013 4.333 4.320 -0.000 0.000 0.203 1150 K C 1.749 178.375 176.600 0.043 0.000 1.050 1150 K CA 1.230 57.515 56.287 -0.005 0.000 0.945 1150 K CB -0.492 32.015 32.500 0.012 0.000 0.732 1150 K HN 0.192 nan 8.250 nan 0.000 0.451 1151 A N 0.585 123.426 122.820 0.034 0.000 1.933 1151 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 1151 A C 2.075 179.696 177.584 0.063 0.000 1.175 1151 A CA 1.628 53.713 52.037 0.081 0.000 0.628 1151 A CB -0.493 18.593 19.000 0.143 0.000 0.814 1151 A HN 0.510 nan 8.150 nan 0.000 0.444 1152 Q N -0.631 119.194 119.800 0.042 0.000 2.119 1152 Q HA -0.183 4.157 4.340 -0.000 0.000 0.201 1152 Q C 1.985 178.002 176.000 0.028 0.000 0.972 1152 Q CA 1.553 57.376 55.803 0.032 0.000 0.847 1152 Q CB -0.151 28.600 28.738 0.022 0.000 0.903 1152 Q HN 0.777 nan 8.270 nan 0.000 0.433 1153 E N 0.584 120.800 120.200 0.026 0.000 2.051 1153 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 1153 E C 2.047 178.672 176.600 0.040 0.000 0.991 1153 E CA 0.863 57.279 56.400 0.025 0.000 0.799 1153 E CB -0.075 29.634 29.700 0.015 0.000 0.748 1153 E HN 0.297 nan 8.360 nan 0.000 0.449 1154 L N 0.461 121.720 121.223 0.060 0.000 2.083 1154 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 1154 L C 2.369 179.269 176.870 0.050 0.000 1.083 1154 L CA 0.437 55.320 54.840 0.071 0.000 0.752 1154 L CB -0.281 41.833 42.059 0.091 0.000 0.899 1154 L HN 0.169 nan 8.230 nan 0.000 0.433 1155 L N -0.093 121.155 121.223 0.042 0.000 2.046 1155 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 1155 L C 2.491 179.377 176.870 0.026 0.000 1.077 1155 L CA 1.750 56.608 54.840 0.031 0.000 0.747 1155 L CB -0.668 41.408 42.059 0.028 0.000 0.896 1155 L HN 0.145 nan 8.230 nan 0.000 0.432 1156 K N -1.579 118.836 120.400 0.025 0.000 2.148 1156 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 1156 K C 1.889 178.502 176.600 0.022 0.000 1.050 1156 K CA 1.566 57.865 56.287 0.020 0.000 0.942 1156 K CB -0.194 32.316 32.500 0.017 0.000 0.724 1156 K HN 0.333 nan 8.250 nan 0.000 0.446 1157 T N 1.770 116.341 114.554 0.028 0.000 2.851 1157 T HA -0.036 4.314 4.350 -0.000 0.000 0.262 1157 T C 1.898 176.616 174.700 0.031 0.000 1.043 1157 T CA 1.107 63.225 62.100 0.031 0.000 1.140 1157 T CB -0.092 68.801 68.868 0.041 0.000 0.872 1157 T HN 0.361 nan 8.240 nan 0.000 0.446 1158 I N -0.096 120.494 120.570 0.034 0.000 3.226 1158 I HA 0.416 4.586 4.170 -0.000 0.000 0.277 1158 I C 1.147 177.281 176.117 0.028 0.000 1.243 1158 I CA -0.459 60.862 61.300 0.035 0.000 1.459 1158 I CB -0.525 37.500 38.000 0.042 0.000 1.093 1158 I HN -0.050 nan 8.210 nan 0.000 0.453 1159 A N 1.514 124.348 122.820 0.023 0.000 2.567 1159 A HA 0.075 4.395 4.320 -0.000 0.000 0.240 1159 A C 0.202 177.796 177.584 0.016 0.000 1.053 1159 A CA -0.010 52.038 52.037 0.018 0.000 0.755 1159 A CB -0.246 18.763 19.000 0.015 0.000 0.978 1159 A HN 0.640 nan 8.150 nan 0.000 0.507 1160 C N 4.082 123.390 119.300 0.015 0.000 2.281 1160 C HA 0.499 4.959 4.460 -0.000 0.000 0.336 1160 C C 0.282 175.278 174.990 0.010 0.000 1.217 1160 C CA -0.737 58.288 59.018 0.013 0.000 1.730 1160 C CB -1.484 26.264 27.740 0.013 0.000 2.338 1160 C HN 0.886 nan 8.230 nan 0.000 0.521 1161 E N 3.296 123.501 120.200 0.009 0.000 2.360 1161 E HA 0.451 4.801 4.350 -0.000 0.000 0.269 1161 E C 0.112 176.716 176.600 0.007 0.000 1.022 1161 E CA 0.113 56.517 56.400 0.008 0.000 0.887 1161 E CB 0.913 30.617 29.700 0.007 0.000 0.990 1161 E HN 0.678 nan 8.360 nan 0.000 0.426 1162 V N -0.928 118.989 119.914 0.006 0.000 3.130 1162 V HA 0.802 4.922 4.120 -0.000 0.000 0.310 1162 V C 0.381 176.478 176.094 0.005 0.000 1.158 1162 V CA -1.243 61.060 62.300 0.006 0.000 1.029 1162 V CB 1.803 33.630 31.823 0.006 0.000 1.057 1162 V HN 0.653 nan 8.190 nan 0.000 0.436 1163 G N 0.519 109.322 108.800 0.005 0.000 2.335 1163 G HA2 0.476 4.436 3.960 -0.000 0.000 0.268 1163 G HA3 0.476 4.436 3.960 -0.000 0.000 0.268 1163 G C 1.012 175.915 174.900 0.005 0.000 1.228 1163 G CA 0.234 45.337 45.100 0.004 0.000 0.968 1163 G HN 1.662 nan 8.290 nan 0.000 0.459 1164 A N 2.758 125.580 122.820 0.004 0.000 1.917 1164 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 1164 A C 1.949 179.536 177.584 0.005 0.000 1.182 1164 A CA 1.514 53.554 52.037 0.004 0.000 0.633 1164 A CB -0.124 18.878 19.000 0.004 0.000 0.819 1164 A HN 0.658 nan 8.150 nan 0.000 0.448 1165 Q N -0.308 119.494 119.800 0.005 0.000 2.201 1165 Q HA 0.088 4.428 4.340 -0.000 0.000 0.236 1165 Q C -0.713 175.291 176.000 0.006 0.000 0.857 1165 Q CA -0.407 55.399 55.803 0.005 0.000 1.025 1165 Q CB 0.362 29.102 28.738 0.005 0.000 1.124 1165 Q HN 0.559 nan 8.270 nan 0.000 0.473 1166 D N 1.339 121.742 120.400 0.006 0.000 2.382 1166 D HA -0.049 4.591 4.640 -0.000 0.000 0.259 1166 D C 0.906 177.210 176.300 0.007 0.000 1.224 1166 D CA 0.276 54.280 54.000 0.006 0.000 0.894 1166 D CB 1.170 41.974 40.800 0.006 0.000 1.127 1166 D HN -0.073 nan 8.370 nan 0.000 0.487 1167 K N 3.979 124.383 120.400 0.008 0.000 2.000 1167 K HA -0.272 4.048 4.320 -0.000 0.000 0.218 1167 K C 1.622 178.227 176.600 0.009 0.000 1.053 1167 K CA 2.121 58.413 56.287 0.008 0.000 0.946 1167 K CB -0.315 32.190 32.500 0.008 0.000 0.723 1167 K HN 0.422 nan 8.250 nan 0.000 0.446 1168 E N 0.304 120.509 120.200 0.008 0.000 2.049 1168 E HA -0.158 4.192 4.350 -0.000 0.000 0.198 1168 E C 1.979 178.585 176.600 0.009 0.000 1.007 1168 E CA 2.104 58.508 56.400 0.008 0.000 0.809 1168 E CB -0.378 29.326 29.700 0.007 0.000 0.749 1168 E HN 0.470 nan 8.360 nan 0.000 0.450 1169 I N -0.047 120.528 120.570 0.008 0.000 2.361 1169 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 1169 I C 1.869 177.992 176.117 0.010 0.000 1.133 1169 I CA 0.312 61.617 61.300 0.009 0.000 1.413 1169 I CB -0.166 37.839 38.000 0.008 0.000 1.073 1169 I HN 0.189 nan 8.210 nan 0.000 0.424 1170 L N 0.236 121.465 121.223 0.009 0.000 2.046 1170 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 1170 L C 2.578 179.455 176.870 0.011 0.000 1.077 1170 L CA 1.970 56.816 54.840 0.010 0.000 0.747 1170 L CB -1.271 40.793 42.059 0.010 0.000 0.896 1170 L HN 0.184 nan 8.230 nan 0.000 0.432 1171 T N -1.353 113.208 114.554 0.011 0.000 2.833 1171 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 1171 T C 1.992 176.700 174.700 0.014 0.000 1.054 1171 T CA 1.121 63.228 62.100 0.012 0.000 1.135 1171 T CB -0.026 68.849 68.868 0.011 0.000 0.869 1171 T HN 0.061 nan 8.240 nan 0.000 0.466 1172 K N 0.900 121.308 120.400 0.014 0.000 2.057 1172 K HA 0.173 4.493 4.320 -0.000 0.000 0.206 1172 K C 1.997 178.607 176.600 0.018 0.000 1.050 1172 K CA 0.786 57.083 56.287 0.016 0.000 0.935 1172 K CB -0.462 32.046 32.500 0.014 0.000 0.715 1172 K HN 0.339 nan 8.250 nan 0.000 0.439 1173 I N 0.191 120.770 120.570 0.015 0.000 2.142 1173 I HA -0.325 3.845 4.170 -0.000 0.000 0.240 1173 I C 2.224 178.352 176.117 0.019 0.000 1.078 1173 I CA 1.348 62.657 61.300 0.016 0.000 1.343 1173 I CB -0.439 37.568 38.000 0.013 0.000 1.046 1173 I HN 0.145 nan 8.210 nan 0.000 0.405 1174 A N 0.573 123.403 122.820 0.017 0.000 1.841 1174 A HA -0.301 4.019 4.320 -0.000 0.000 0.216 1174 A C 2.431 180.027 177.584 0.020 0.000 1.199 1174 A CA 2.195 54.242 52.037 0.017 0.000 0.621 1174 A CB -0.849 18.160 19.000 0.014 0.000 0.835 1174 A HN 0.433 nan 8.150 nan 0.000 0.445 1175 M N -0.651 118.961 119.600 0.020 0.000 2.149 1175 M HA -0.155 4.325 4.480 -0.000 0.000 0.261 1175 M C 2.056 178.375 176.300 0.031 0.000 1.064 1175 M CA 2.143 57.456 55.300 0.021 0.000 1.102 1175 M CB -0.352 32.259 32.600 0.019 0.000 1.369 1175 M HN 0.495 nan 8.290 nan 0.000 0.408 1176 T N 0.032 114.608 114.554 0.037 0.000 2.788 1176 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 1176 T C 1.820 176.562 174.700 0.069 0.000 1.044 1176 T CA 1.746 63.879 62.100 0.054 0.000 1.139 1176 T CB -0.188 68.705 68.868 0.043 0.000 0.867 1176 T HN 0.446 nan 8.240 nan 0.000 0.454 1177 S N 1.149 116.879 115.700 0.050 0.000 2.345 1177 S HA 0.023 4.493 4.470 -0.000 0.000 0.220 1177 S C 2.061 176.689 174.600 0.047 0.000 1.031 1177 S CA 0.920 59.151 58.200 0.051 0.000 0.996 1177 S CB -0.397 62.823 63.200 0.034 0.000 0.882 1177 S HN 0.421 nan 8.310 nan 0.000 0.445 1178 I N 1.796 122.385 120.570 0.030 0.000 2.286 1178 I HA -0.124 4.046 4.170 -0.000 0.000 0.248 1178 I C 1.141 177.261 176.117 0.005 0.000 1.115 1178 I CA 0.651 61.959 61.300 0.014 0.000 1.392 1178 I CB -1.019 36.986 38.000 0.009 0.000 1.065 1178 I HN 0.330 nan 8.210 nan 0.000 0.418 1179 T N 0.097 114.662 114.554 0.019 0.000 2.934 1179 T HA 0.305 4.655 4.350 -0.000 0.000 0.306 1179 T C 1.091 175.766 174.700 -0.042 0.000 1.042 1179 T CA 0.139 62.239 62.100 0.001 0.000 1.145 1179 T CB 1.105 69.996 68.868 0.037 0.000 0.982 1179 T HN 0.646 nan 8.240 nan 0.000 0.544 1180 G N 1.945 110.664 108.800 -0.134 0.000 2.157 1180 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.239 1180 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.239 1180 G C -0.066 174.720 174.900 -0.190 0.000 0.982 1180 G CA 0.206 45.133 45.100 -0.288 0.000 0.650 1180 G HN 0.904 nan 8.290 nan 0.000 0.527 1181 K N -0.951 119.384 120.400 -0.108 0.000 2.352 1181 K HA 0.610 4.930 4.320 -0.000 0.000 0.240 1181 K C 1.610 178.165 176.600 -0.074 0.000 1.017 1181 K CA -0.557 55.682 56.287 -0.081 0.000 0.851 1181 K CB 1.269 33.740 32.500 -0.049 0.000 1.261 1181 K HN 0.174 nan 8.250 nan 0.000 0.451 1182 G N 0.514 109.270 108.800 -0.074 0.000 2.442 1182 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 1182 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 1182 G C 1.207 176.077 174.900 -0.049 0.000 1.141 1182 G CA 1.263 46.323 45.100 -0.066 0.000 0.763 1182 G HN 0.613 nan 8.290 nan 0.000 0.554 1183 A N 0.275 123.069 122.820 -0.043 0.000 2.209 1183 A HA 0.122 4.442 4.320 -0.000 0.000 0.212 1183 A C 2.018 179.588 177.584 -0.024 0.000 1.158 1183 A CA 1.457 53.477 52.037 -0.028 0.000 0.742 1183 A CB -0.248 18.739 19.000 -0.021 0.000 0.790 1183 A HN 0.369 nan 8.150 nan 0.000 0.472 1184 E N 0.965 121.146 120.200 -0.031 0.000 2.267 1184 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 1184 E C 1.150 177.738 176.600 -0.020 0.000 0.998 1184 E CA 0.912 57.297 56.400 -0.026 0.000 0.830 1184 E CB -0.115 29.561 29.700 -0.040 0.000 0.751 1184 E HN 0.443 nan 8.360 nan 0.000 0.491 1185 K N -0.165 120.222 120.400 -0.021 0.000 2.160 1185 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 1185 K C 1.258 177.851 176.600 -0.010 0.000 1.047 1185 K CA 1.251 57.528 56.287 -0.016 0.000 0.930 1185 K CB -0.109 32.381 32.500 -0.017 0.000 0.720 1185 K HN 0.112 nan 8.250 nan 0.000 0.450 1186 A N 1.451 124.265 122.820 -0.009 0.000 2.855 1186 A HA 0.106 4.426 4.320 -0.000 0.000 0.301 1186 A C 1.312 178.895 177.584 -0.002 0.000 1.076 1186 A CA -0.447 51.588 52.037 -0.004 0.000 1.004 1186 A CB 0.002 19.001 19.000 -0.002 0.000 1.152 1186 A HN 0.272 nan 8.150 nan 0.000 0.531 1187 K N -0.172 120.226 120.400 -0.002 0.000 2.147 1187 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 1187 K C 0.930 177.533 176.600 0.005 0.000 1.049 1187 K CA 1.814 58.102 56.287 0.002 0.000 0.936 1187 K CB -0.074 32.427 32.500 0.002 0.000 0.722 1187 K HN 0.314 nan 8.250 nan 0.000 0.446 1188 E N 1.624 121.827 120.200 0.004 0.000 2.028 1188 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 1188 E C 1.985 178.589 176.600 0.006 0.000 0.988 1188 E CA 1.378 57.781 56.400 0.006 0.000 0.799 1188 E CB -0.052 29.651 29.700 0.005 0.000 0.755 1188 E HN 0.372 nan 8.360 nan 0.000 0.447 1189 K N 0.218 120.621 120.400 0.005 0.000 2.026 1189 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 1189 K C 1.809 178.414 176.600 0.008 0.000 1.048 1189 K CA 0.899 57.190 56.287 0.007 0.000 0.929 1189 K CB -0.050 32.453 32.500 0.006 0.000 0.713 1189 K HN -0.003 nan 8.250 nan 0.000 0.439 1190 L N 1.062 122.290 121.223 0.008 0.000 2.046 1190 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 1190 L C 2.470 179.346 176.870 0.010 0.000 1.077 1190 L CA 1.984 56.829 54.840 0.009 0.000 0.747 1190 L CB -1.056 41.007 42.059 0.007 0.000 0.896 1190 L HN 0.255 nan 8.230 nan 0.000 0.432 1191 A N -0.998 121.828 122.820 0.010 0.000 1.933 1191 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 1191 A C 2.304 179.895 177.584 0.011 0.000 1.175 1191 A CA 1.714 53.757 52.037 0.011 0.000 0.628 1191 A CB -0.456 18.551 19.000 0.012 0.000 0.814 1191 A HN 0.406 nan 8.150 nan 0.000 0.444 1192 E N 0.737 120.943 120.200 0.011 0.000 2.028 1192 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 1192 E C 1.867 178.474 176.600 0.013 0.000 0.988 1192 E CA 1.728 58.134 56.400 0.011 0.000 0.799 1192 E CB -0.501 29.206 29.700 0.010 0.000 0.755 1192 E HN 0.724 nan 8.360 nan 0.000 0.447 1193 I N -1.462 119.116 120.570 0.013 0.000 2.286 1193 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 1193 I C 2.220 178.345 176.117 0.015 0.000 1.115 1193 I CA 1.266 62.575 61.300 0.015 0.000 1.392 1193 I CB -0.455 37.554 38.000 0.016 0.000 1.065 1193 I HN 0.038 nan 8.210 nan 0.000 0.418 1194 I N 0.968 121.546 120.570 0.013 0.000 2.202 1194 I HA -0.179 3.991 4.170 -0.000 0.000 0.242 1194 I C 2.659 178.783 176.117 0.012 0.000 1.091 1194 I CA 1.026 62.333 61.300 0.013 0.000 1.368 1194 I CB -0.278 37.729 38.000 0.012 0.000 1.058 1194 I HN 0.085 nan 8.210 nan 0.000 0.410 1195 V N 0.828 120.749 119.914 0.012 0.000 2.343 1195 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 1195 V C 2.522 178.624 176.094 0.013 0.000 1.051 1195 V CA 2.150 64.457 62.300 0.012 0.000 1.036 1195 V CB -0.581 31.249 31.823 0.012 0.000 0.654 1195 V HN 0.436 nan 8.190 nan 0.000 0.451 1196 E N 0.883 121.092 120.200 0.015 0.000 2.072 1196 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 1196 E C 2.115 178.725 176.600 0.018 0.000 0.985 1196 E CA 1.673 58.084 56.400 0.017 0.000 0.801 1196 E CB -0.505 29.206 29.700 0.018 0.000 0.750 1196 E HN 0.484 nan 8.360 nan 0.000 0.452 1197 A N 0.227 123.057 122.820 0.016 0.000 1.883 1197 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 1197 A C 2.529 180.121 177.584 0.014 0.000 1.186 1197 A CA 1.945 53.991 52.037 0.015 0.000 0.624 1197 A CB -0.964 18.044 19.000 0.013 0.000 0.822 1197 A HN 0.206 nan 8.150 nan 0.000 0.444 1198 V N -0.474 119.447 119.914 0.012 0.000 2.295 1198 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 1198 V C 2.792 178.893 176.094 0.011 0.000 1.049 1198 V CA 2.324 64.629 62.300 0.010 0.000 1.024 1198 V CB -0.924 30.905 31.823 0.009 0.000 0.648 1198 V HN 0.664 nan 8.190 nan 0.000 0.447 1199 S N -0.215 115.492 115.700 0.012 0.000 2.383 1199 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 1199 S C 2.074 176.683 174.600 0.015 0.000 1.030 1199 S CA 1.704 59.912 58.200 0.012 0.000 1.002 1199 S CB -0.312 62.896 63.200 0.014 0.000 0.829 1199 S HN 0.622 nan 8.310 nan 0.000 0.467 1200 A N 0.835 123.667 122.820 0.020 0.000 1.898 1200 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 1200 A C 2.371 179.967 177.584 0.021 0.000 1.181 1200 A CA 1.735 53.788 52.037 0.027 0.000 0.620 1200 A CB -0.938 18.082 19.000 0.034 0.000 0.819 1200 A HN 0.944 nan 8.150 nan 0.000 0.442 1201 V N -3.168 116.755 119.914 0.015 0.000 2.951 1201 V HA -0.001 4.119 4.120 -0.000 0.000 0.255 1201 V C 2.059 178.157 176.094 0.006 0.000 1.088 1201 V CA 1.435 63.742 62.300 0.010 0.000 1.109 1201 V CB -0.542 31.285 31.823 0.007 0.000 0.724 1201 V HN 0.179 nan 8.190 nan 0.000 0.471 1202 V N 0.586 120.504 119.914 0.006 0.000 2.626 1202 V HA -0.125 3.995 4.120 -0.000 0.000 0.252 1202 V C 1.699 177.794 176.094 0.000 0.000 1.067 1202 V CA 2.446 64.748 62.300 0.003 0.000 1.081 1202 V CB -0.517 31.308 31.823 0.004 0.000 0.686 1202 V HN 0.850 nan 8.190 nan 0.000 0.468 1203 D N -0.733 119.667 120.400 -0.000 0.000 4.508 1203 D HA -0.222 4.418 4.640 -0.000 0.000 0.178 1203 D C 0.637 176.933 176.300 -0.007 0.000 0.644 1203 D CA 1.991 55.987 54.000 -0.006 0.000 1.244 1203 D CB -1.207 39.589 40.800 -0.007 0.000 0.727 1203 D HN 0.577 nan 8.370 nan 0.000 0.495 1204 D N 1.329 121.725 120.400 -0.007 0.000 2.377 1204 D HA 0.251 4.891 4.640 -0.000 0.000 0.245 1204 D C -0.213 176.085 176.300 -0.003 0.000 1.196 1204 D CA 0.101 54.097 54.000 -0.006 0.000 0.962 1204 D CB 0.619 41.415 40.800 -0.007 0.000 1.127 1204 D HN 0.290 nan 8.370 nan 0.000 0.471 1205 E N 0.338 120.536 120.200 -0.003 0.000 2.136 1205 E HA 0.512 4.862 4.350 -0.000 0.000 0.246 1205 E C -0.924 175.676 176.600 -0.001 0.000 1.017 1205 E CA -0.590 55.810 56.400 -0.001 0.000 0.883 1205 E CB -0.415 29.284 29.700 -0.001 0.000 1.199 1205 E HN 0.494 nan 8.360 nan 0.000 0.447 1206 G N 2.370 111.169 108.800 -0.000 0.000 2.405 1206 G HA2 0.232 4.192 3.960 -0.000 0.000 0.303 1206 G HA3 0.232 4.192 3.960 -0.000 0.000 0.303 1206 G C -1.923 172.977 174.900 0.000 0.000 1.644 1206 G CA -0.936 44.163 45.100 -0.000 0.000 0.899 1206 G HN 0.210 nan 8.290 nan 0.000 0.667 1207 K N 0.367 120.767 120.400 -0.000 0.000 2.427 1207 K HA 0.778 5.098 4.320 -0.000 0.000 0.252 1207 K C -1.292 175.309 176.600 0.001 0.000 0.931 1207 K CA -0.776 55.511 56.287 0.000 0.000 0.793 1207 K CB 2.345 34.845 32.500 -0.000 0.000 1.211 1207 K HN 1.020 nan 8.250 nan 0.000 0.426 1208 V N 2.884 122.799 119.914 0.001 0.000 2.555 1208 V HA 0.563 4.683 4.120 -0.000 0.000 0.302 1208 V C -1.579 174.515 176.094 0.001 0.000 1.038 1208 V CA -0.525 61.776 62.300 0.001 0.000 0.887 1208 V CB 1.843 33.667 31.823 0.003 0.000 0.991 1208 V HN 0.894 nan 8.190 nan 0.000 0.434 1209 D N 4.698 125.098 120.400 0.000 0.000 2.461 1209 D HA 0.248 4.888 4.640 -0.000 0.000 0.240 1209 D C 0.770 177.069 176.300 -0.001 0.000 1.094 1209 D CA -0.300 53.700 54.000 -0.001 0.000 0.868 1209 D CB 1.628 42.426 40.800 -0.003 0.000 1.062 1209 D HN 0.658 nan 8.370 nan 0.000 0.530 1210 K N 2.598 122.998 120.400 -0.001 0.000 2.520 1210 K HA -0.188 4.132 4.320 -0.000 0.000 0.197 1210 K C 0.823 177.421 176.600 -0.003 0.000 1.043 1210 K CA 0.878 57.164 56.287 -0.001 0.000 0.944 1210 K CB 0.235 32.735 32.500 0.001 0.000 0.770 1210 K HN 0.281 nan 8.250 nan 0.000 0.480 1211 D N 0.231 120.628 120.400 -0.005 0.000 2.264 1211 D HA -0.097 4.543 4.640 -0.000 0.000 0.208 1211 D C 1.320 177.614 176.300 -0.011 0.000 0.966 1211 D CA 0.733 54.728 54.000 -0.009 0.000 0.864 1211 D CB 0.176 40.971 40.800 -0.009 0.000 0.933 1211 D HN 0.258 nan 8.370 nan 0.000 0.499 1212 L N -0.106 121.112 121.223 -0.008 0.000 2.591 1212 L HA 0.194 4.534 4.340 -0.000 0.000 0.228 1212 L C 0.270 177.136 176.870 -0.007 0.000 1.133 1212 L CA 0.123 54.958 54.840 -0.009 0.000 0.880 1212 L CB 0.142 42.198 42.059 -0.004 0.000 1.033 1212 L HN 0.011 nan 8.230 nan 0.000 0.450 1213 I N 0.701 121.267 120.570 -0.006 0.000 2.405 1213 I HA 0.181 4.351 4.170 -0.000 0.000 0.280 1213 I C 0.126 176.239 176.117 -0.008 0.000 1.027 1213 I CA -0.325 60.973 61.300 -0.004 0.000 1.161 1213 I CB 1.259 39.259 38.000 0.001 0.000 1.300 1213 I HN -0.006 nan 8.210 nan 0.000 0.463 1214 K N 6.352 126.744 120.400 -0.013 0.000 2.185 1214 K HA 0.469 4.789 4.320 -0.000 0.000 0.271 1214 K C -0.738 175.854 176.600 -0.013 0.000 1.013 1214 K CA -0.470 55.806 56.287 -0.018 0.000 0.943 1214 K CB 1.060 33.542 32.500 -0.031 0.000 0.998 1214 K HN 0.437 nan 8.250 nan 0.000 0.468 1215 I N 3.930 124.492 120.570 -0.012 0.000 2.390 1215 I HA 0.166 4.336 4.170 -0.000 0.000 0.283 1215 I C -0.556 175.555 176.117 -0.010 0.000 1.016 1215 I CA -0.624 60.672 61.300 -0.006 0.000 1.151 1215 I CB 0.977 38.977 38.000 -0.000 0.000 1.293 1215 I HN 0.686 nan 8.210 nan 0.000 0.458 1216 E N 7.559 127.751 120.200 -0.013 0.000 2.151 1216 E HA 0.501 4.851 4.350 -0.000 0.000 0.275 1216 E C -0.889 175.711 176.600 0.000 0.000 0.936 1216 E CA -0.624 55.766 56.400 -0.016 0.000 0.777 1216 E CB 1.143 30.819 29.700 -0.040 0.000 1.108 1216 E HN 0.539 nan 8.360 nan 0.000 0.401 1217 K N 2.781 123.184 120.400 0.004 0.000 2.471 1217 K HA 0.616 4.936 4.320 -0.000 0.000 0.252 1217 K C -1.121 175.489 176.600 0.017 0.000 0.938 1217 K CA -1.165 55.131 56.287 0.015 0.000 0.796 1217 K CB 1.632 34.142 32.500 0.016 0.000 1.161 1217 K HN 0.180 nan 8.250 nan 0.000 0.425 1218 K N 1.874 122.289 120.400 0.025 0.000 2.578 1218 K HA 0.187 4.507 4.320 -0.000 0.000 0.250 1218 K C -1.019 175.599 176.600 0.030 0.000 0.955 1218 K CA -0.375 55.928 56.287 0.028 0.000 0.825 1218 K CB 2.072 34.593 32.500 0.035 0.000 1.151 1218 K HN 0.701 nan 8.250 nan 0.000 0.432 1219 S N 2.627 118.344 115.700 0.027 0.000 2.563 1219 S HA 0.563 5.033 4.470 -0.000 0.000 0.284 1219 S C 0.110 174.725 174.600 0.025 0.000 1.331 1219 S CA 1.271 59.486 58.200 0.025 0.000 1.047 1219 S CB -0.146 63.070 63.200 0.026 0.000 0.859 1219 S HN 1.087 nan 8.310 nan 0.000 0.514 1220 G N 1.502 110.315 108.800 0.021 0.000 2.375 1220 G HA2 0.518 4.478 3.960 -0.000 0.000 0.663 1220 G HA3 0.518 4.478 3.960 -0.000 0.000 0.663 1220 G C -0.114 174.796 174.900 0.018 0.000 1.391 1220 G CA -0.011 45.101 45.100 0.020 0.000 0.949 1220 G HN 2.128 nan 8.290 nan 0.000 0.646 1221 A N -0.625 122.204 122.820 0.014 0.000 5.949 1221 A HA 0.376 4.696 4.320 -0.000 0.000 0.275 1221 A C 1.158 178.747 177.584 0.008 0.000 2.055 1221 A CA 1.933 53.976 52.037 0.010 0.000 0.713 1221 A CB -1.612 17.396 19.000 0.013 0.000 1.146 1221 A HN 2.691 nan 8.150 nan 0.000 0.370 1222 S N -2.945 112.759 115.700 0.005 0.000 2.806 1222 S HA 0.639 5.109 4.470 -0.000 0.000 0.315 1222 S C 1.073 175.674 174.600 0.003 0.000 1.127 1222 S CA 0.218 58.419 58.200 0.002 0.000 0.918 1222 S CB 1.252 64.451 63.200 -0.001 0.000 1.240 1222 S HN 1.905 nan 8.310 nan 0.000 0.552 1223 I N 1.868 122.437 120.570 -0.002 0.000 2.493 1223 I HA -0.027 4.143 4.170 -0.000 0.000 0.254 1223 I C 1.283 177.400 176.117 0.000 0.000 1.160 1223 I CA 1.684 62.983 61.300 -0.002 0.000 1.445 1223 I CB -0.422 37.572 38.000 -0.009 0.000 1.086 1223 I HN 0.581 nan 8.210 nan 0.000 0.433 1224 D N 0.696 121.095 120.400 -0.001 0.000 2.178 1224 D HA -0.178 4.462 4.640 -0.000 0.000 0.201 1224 D C 1.559 177.861 176.300 0.003 0.000 0.980 1224 D CA 1.344 55.344 54.000 -0.000 0.000 0.842 1224 D CB -0.298 40.501 40.800 -0.002 0.000 0.948 1224 D HN 0.444 nan 8.370 nan 0.000 0.472 1225 D N -0.352 120.052 120.400 0.005 0.000 2.348 1225 D HA -0.029 4.611 4.640 -0.000 0.000 0.216 1225 D C 0.362 176.672 176.300 0.016 0.000 0.970 1225 D CA 0.499 54.504 54.000 0.009 0.000 0.889 1225 D CB -0.044 40.762 40.800 0.010 0.000 0.912 1225 D HN 0.019 nan 8.370 nan 0.000 0.524 1226 T N 1.323 115.887 114.554 0.016 0.000 2.908 1226 T HA 0.147 4.497 4.350 -0.000 0.000 0.325 1226 T C 0.318 175.033 174.700 0.024 0.000 1.092 1226 T CA 0.286 62.400 62.100 0.022 0.000 1.125 1226 T CB 0.423 69.300 68.868 0.016 0.000 1.016 1226 T HN 0.318 nan 8.240 nan 0.000 0.550 1227 E N 0.754 120.973 120.200 0.033 0.000 2.429 1227 E HA 0.554 4.904 4.350 -0.000 0.000 0.280 1227 E C -1.814 174.810 176.600 0.040 0.000 1.068 1227 E CA -1.081 55.339 56.400 0.034 0.000 0.837 1227 E CB 0.969 30.691 29.700 0.037 0.000 1.357 1227 E HN 0.349 nan 8.360 nan 0.000 0.455 1228 L N 1.226 122.471 121.223 0.036 0.000 2.317 1228 L HA 0.592 4.932 4.340 -0.000 0.000 0.281 1228 L C -1.532 175.366 176.870 0.047 0.000 1.024 1228 L CA -0.550 54.312 54.840 0.037 0.000 0.810 1228 L CB 1.343 43.418 42.059 0.026 0.000 1.240 1228 L HN 0.626 nan 8.230 nan 0.000 0.427 1229 I N 4.316 124.919 120.570 0.054 0.000 2.411 1229 I HA 0.327 4.497 4.170 -0.000 0.000 0.284 1229 I C -0.225 175.919 176.117 0.046 0.000 1.012 1229 I CA -0.476 60.865 61.300 0.069 0.000 1.119 1229 I CB 1.359 39.430 38.000 0.118 0.000 1.261 1229 I HN 0.419 nan 8.210 nan 0.000 0.448 1230 K N 4.798 125.220 120.400 0.036 0.000 2.199 1230 K HA 0.545 4.865 4.320 -0.000 0.000 0.226 1230 K C 0.427 177.041 176.600 0.023 0.000 1.237 1230 K CA 0.066 56.367 56.287 0.024 0.000 1.170 1230 K CB -0.337 32.171 32.500 0.013 0.000 1.418 1230 K HN 0.874 nan 8.250 nan 0.000 0.255 1231 G N -1.403 107.411 108.800 0.023 0.000 2.441 1231 G HA2 0.263 4.223 3.960 -0.000 0.000 0.225 1231 G HA3 0.263 4.223 3.960 -0.000 0.000 0.225 1231 G C -1.617 173.283 174.900 -0.001 0.000 1.200 1231 G CA -0.630 44.480 45.100 0.017 0.000 0.947 1231 G HN 0.064 nan 8.290 nan 0.000 0.484 1232 V N 0.381 120.286 119.914 -0.016 0.000 3.007 1232 V HA 0.746 4.866 4.120 -0.000 0.000 0.311 1232 V C -0.875 175.144 176.094 -0.125 0.000 1.120 1232 V CA -0.679 61.583 62.300 -0.063 0.000 0.980 1232 V CB 2.012 33.788 31.823 -0.079 0.000 1.033 1232 V HN 0.829 nan 8.190 nan 0.000 0.429 1233 L N 4.054 125.161 121.223 -0.194 0.000 2.345 1233 L HA 0.694 5.034 4.340 -0.000 0.000 0.274 1233 L C -1.203 175.507 176.870 -0.266 0.000 0.999 1233 L CA -0.368 54.239 54.840 -0.390 0.000 0.849 1233 L CB 1.459 43.227 42.059 -0.485 0.000 1.220 1233 L HN 0.487 nan 8.230 nan 0.000 0.422 1234 V N 3.325 123.099 119.914 -0.234 0.000 2.472 1234 V HA 0.254 4.374 4.120 -0.000 0.000 0.290 1234 V C -0.218 175.811 176.094 -0.108 0.000 1.037 1234 V CA -0.656 61.571 62.300 -0.121 0.000 0.908 1234 V CB 1.702 33.501 31.823 -0.040 0.000 0.985 1234 V HN 0.778 nan 8.190 nan 0.000 0.454 1235 D N 3.412 123.773 120.400 -0.066 0.000 2.896 1235 D HA 0.276 4.916 4.640 -0.000 0.000 0.240 1235 D C -0.142 176.155 176.300 -0.005 0.000 1.193 1235 D CA -0.257 53.719 54.000 -0.039 0.000 0.983 1235 D CB 0.202 40.983 40.800 -0.032 0.000 1.074 1235 D HN 0.500 nan 8.370 nan 0.000 0.496 1236 K N -0.087 120.318 120.400 0.010 0.000 2.439 1236 K HA 0.511 4.831 4.320 -0.000 0.000 0.260 1236 K C -0.633 175.988 176.600 0.034 0.000 1.032 1236 K CA -0.919 55.386 56.287 0.031 0.000 0.882 1236 K CB 2.544 35.080 32.500 0.059 0.000 1.420 1236 K HN 0.088 nan 8.250 nan 0.000 0.455 1237 E N 0.705 120.923 120.200 0.029 0.000 2.320 1237 E HA 0.288 4.638 4.350 -0.000 0.000 0.264 1237 E C -1.072 175.533 176.600 0.007 0.000 0.923 1237 E CA -0.840 55.574 56.400 0.024 0.000 0.796 1237 E CB 1.567 31.279 29.700 0.020 0.000 1.262 1237 E HN 0.288 nan 8.360 nan 0.000 0.428 1238 R N 1.825 122.326 120.500 0.002 0.000 2.404 1238 R HA 0.046 4.386 4.340 -0.000 0.000 0.315 1238 R C 1.089 177.378 176.300 -0.018 0.000 1.032 1238 R CA -0.224 55.862 56.100 -0.022 0.000 0.992 1238 R CB 0.471 30.761 30.300 -0.016 0.000 0.959 1238 R HN 0.376 nan 8.270 nan 0.000 0.428 1239 V N 1.773 121.668 119.914 -0.032 0.000 2.380 1239 V HA -0.203 3.917 4.120 -0.000 0.000 0.251 1239 V C 1.211 177.299 176.094 -0.010 0.000 1.063 1239 V CA 1.793 64.080 62.300 -0.023 0.000 1.055 1239 V CB -0.239 31.562 31.823 -0.036 0.000 0.657 1239 V HN 0.709 nan 8.190 nan 0.000 0.455 1240 S N -1.412 114.284 115.700 -0.007 0.000 2.501 1240 S HA 0.658 5.128 4.470 -0.000 0.000 0.301 1240 S C 0.872 175.479 174.600 0.011 0.000 1.096 1240 S CA -0.186 58.022 58.200 0.012 0.000 1.063 1240 S CB 1.894 65.112 63.200 0.029 0.000 1.042 1240 S HN 0.311 nan 8.310 nan 0.000 0.494 1241 A N 3.440 126.269 122.820 0.015 0.000 1.930 1241 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 1241 A C 1.919 179.509 177.584 0.009 0.000 1.175 1241 A CA 1.022 53.065 52.037 0.010 0.000 0.627 1241 A CB -0.475 18.530 19.000 0.008 0.000 0.815 1241 A HN 0.806 nan 8.150 nan 0.000 0.443 1242 Q N -0.490 119.317 119.800 0.013 0.000 2.472 1242 Q HA 0.121 4.461 4.340 -0.000 0.000 0.208 1242 Q C 0.492 176.500 176.000 0.014 0.000 0.958 1242 Q CA 0.208 56.017 55.803 0.011 0.000 0.932 1242 Q CB -0.338 28.406 28.738 0.010 0.000 1.007 1242 Q HN 0.692 nan 8.270 nan 0.000 0.508 1243 M N 1.795 121.403 119.600 0.013 0.000 2.248 1243 M HA 0.093 4.573 4.480 -0.000 0.000 0.337 1243 M C -1.948 174.355 176.300 0.006 0.000 1.121 1243 M CA -1.430 53.874 55.300 0.008 0.000 1.155 1243 M CB -0.103 32.495 32.600 -0.003 0.000 1.514 1243 M HN -0.194 nan 8.290 nan 0.000 0.452 1244 P HA 0.003 nan 4.420 nan 0.000 0.267 1244 P C -0.329 176.975 177.300 0.007 0.000 1.200 1244 P CA 0.194 63.298 63.100 0.007 0.000 0.772 1244 P CB 0.469 32.173 31.700 0.007 0.000 0.855 1245 K N 1.268 121.673 120.400 0.008 0.000 2.393 1245 K HA 0.051 4.371 4.320 -0.000 0.000 0.193 1245 K C 0.088 176.696 176.600 0.014 0.000 1.026 1245 K CA 0.431 56.724 56.287 0.011 0.000 1.064 1245 K CB 0.184 32.689 32.500 0.009 0.000 0.833 1245 K HN 0.142 nan 8.250 nan 0.000 0.521 1246 K N 0.249 120.656 120.400 0.012 0.000 2.571 1246 K HA 0.228 4.548 4.320 -0.000 0.000 0.252 1246 K C -2.224 174.384 176.600 0.013 0.000 0.956 1246 K CA -0.656 55.639 56.287 0.013 0.000 0.822 1246 K CB 2.036 34.541 32.500 0.008 0.000 1.286 1246 K HN -0.116 nan 8.250 nan 0.000 0.439 1247 V N 3.896 123.821 119.914 0.018 0.000 2.638 1247 V HA 0.773 4.893 4.120 -0.000 0.000 0.306 1247 V C -1.256 174.850 176.094 0.020 0.000 1.052 1247 V CA -0.029 62.282 62.300 0.018 0.000 0.885 1247 V CB 1.983 33.819 31.823 0.021 0.000 0.999 1247 V HN 0.953 nan 8.190 nan 0.000 0.424 1248 T N 1.541 116.105 114.554 0.016 0.000 2.855 1248 T HA 0.515 4.865 4.350 -0.000 0.000 0.281 1248 T C 0.030 174.739 174.700 0.016 0.000 1.007 1248 T CA 0.175 62.284 62.100 0.015 0.000 1.009 1248 T CB 1.258 70.132 68.868 0.010 0.000 0.983 1248 T HN 1.075 nan 8.240 nan 0.000 0.455 1249 D N 0.671 121.081 120.400 0.016 0.000 2.689 1249 D HA -0.156 4.484 4.640 -0.000 0.000 0.237 1249 D C 0.396 176.709 176.300 0.022 0.000 1.148 1249 D CA 0.875 54.885 54.000 0.017 0.000 0.656 1249 D CB -1.216 39.591 40.800 0.013 0.000 1.050 1249 D HN 1.121 nan 8.370 nan 0.000 0.426 1250 A N 1.316 124.153 122.820 0.028 0.000 2.498 1250 A HA 0.369 4.689 4.320 -0.000 0.000 0.239 1250 A C 0.536 178.143 177.584 0.038 0.000 1.068 1250 A CA 0.231 52.289 52.037 0.035 0.000 0.766 1250 A CB 0.578 19.605 19.000 0.046 0.000 1.003 1250 A HN 0.161 nan 8.150 nan 0.000 0.497 1251 K N 2.486 122.909 120.400 0.038 0.000 2.389 1251 K HA 0.417 4.737 4.320 -0.000 0.000 0.261 1251 K C -1.253 175.379 176.600 0.054 0.000 1.014 1251 K CA -0.212 56.100 56.287 0.040 0.000 0.920 1251 K CB 1.061 33.580 32.500 0.031 0.000 1.149 1251 K HN 0.537 nan 8.250 nan 0.000 0.444 1252 I N 1.932 122.545 120.570 0.072 0.000 2.365 1252 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 1252 I C 0.353 176.531 176.117 0.102 0.000 1.004 1252 I CA -0.375 60.992 61.300 0.111 0.000 1.311 1252 I CB 1.584 39.677 38.000 0.156 0.000 1.401 1252 I HN 0.486 nan 8.210 nan 0.000 0.491 1253 A N 6.444 129.335 122.820 0.117 0.000 2.318 1253 A HA 0.806 5.126 4.320 -0.000 0.000 0.324 1253 A C -1.129 176.544 177.584 0.147 0.000 1.170 1253 A CA -0.516 51.581 52.037 0.099 0.000 0.810 1253 A CB 0.973 20.012 19.000 0.066 0.000 1.198 1253 A HN 0.600 nan 8.150 nan 0.000 0.484 1254 L N 3.650 124.939 121.223 0.109 0.000 2.324 1254 L HA 0.580 4.920 4.340 -0.000 0.000 0.274 1254 L C -1.212 175.702 176.870 0.073 0.000 1.012 1254 L CA -0.012 54.894 54.840 0.110 0.000 0.859 1254 L CB 0.515 42.609 42.059 0.057 0.000 1.224 1254 L HN 0.646 nan 8.230 nan 0.000 0.429 1255 L N 4.214 125.487 121.223 0.082 0.000 2.334 1255 L HA 0.533 4.873 4.340 -0.000 0.000 0.276 1255 L C 0.805 177.706 176.870 0.052 0.000 1.014 1255 L CA -0.464 54.409 54.840 0.054 0.000 0.815 1255 L CB 1.834 43.921 42.059 0.046 0.000 1.268 1255 L HN 0.600 nan 8.230 nan 0.000 0.428 1256 N N 0.528 119.250 118.700 0.035 0.000 2.397 1256 N HA -0.022 4.718 4.740 -0.000 0.000 0.190 1256 N C 0.251 175.775 175.510 0.023 0.000 1.099 1256 N CA -0.158 52.909 53.050 0.029 0.000 0.876 1256 N CB 0.592 39.091 38.487 0.021 0.000 1.143 1256 N HN 0.580 nan 8.380 nan 0.000 0.468 1257 C N 2.495 121.808 119.300 0.021 0.000 2.644 1257 C HA 0.654 5.114 4.460 -0.000 0.000 0.417 1257 C C 1.004 176.003 174.990 0.016 0.000 1.304 1257 C CA -0.713 58.315 59.018 0.016 0.000 2.035 1257 C CB -0.817 26.932 27.740 0.016 0.000 2.673 1257 C HN 0.430 nan 8.230 nan 0.000 0.602 1258 A N 6.621 129.447 122.820 0.011 0.000 2.462 1258 A HA 0.454 4.774 4.320 -0.000 0.000 0.243 1258 A C 0.254 177.842 177.584 0.006 0.000 1.076 1258 A CA -0.128 51.913 52.037 0.007 0.000 0.773 1258 A CB 0.059 19.060 19.000 0.002 0.000 1.010 1258 A HN 0.799 nan 8.150 nan 0.000 0.493 1259 I N 3.272 123.844 120.570 0.003 0.000 2.234 1259 I HA 0.171 4.341 4.170 -0.000 0.000 0.287 1259 I C 0.619 176.735 176.117 -0.001 0.000 1.131 1259 I CA 0.432 61.735 61.300 0.005 0.000 1.335 1259 I CB -1.473 36.530 38.000 0.006 0.000 1.511 1259 I HN 0.887 nan 8.210 nan 0.000 0.588 1260 E N 3.745 123.946 120.200 0.002 0.000 2.431 1260 E HA 0.517 4.867 4.350 -0.000 0.000 0.268 1260 E C -0.668 175.937 176.600 0.008 0.000 0.953 1260 E CA -1.012 55.387 56.400 -0.001 0.000 0.810 1260 E CB 1.973 31.669 29.700 -0.006 0.000 1.369 1260 E HN -0.038 nan 8.360 nan 0.000 0.440 1261 I N 2.406 122.981 120.570 0.009 0.000 2.483 1261 I HA 0.081 4.251 4.170 -0.000 0.000 0.291 1261 I C 0.385 176.510 176.117 0.013 0.000 1.112 1261 I CA -0.155 61.155 61.300 0.016 0.000 1.350 1261 I CB -0.509 37.502 38.000 0.018 0.000 1.419 1261 I HN 0.411 nan 8.210 nan 0.000 0.523 1262 K N 5.937 126.346 120.400 0.015 0.000 2.414 1262 K HA 0.162 4.482 4.320 -0.000 0.000 0.272 1262 K C 0.264 176.873 176.600 0.014 0.000 0.993 1262 K CA -0.113 56.182 56.287 0.013 0.000 0.964 1262 K CB 1.083 33.592 32.500 0.014 0.000 0.925 1262 K HN 0.425 nan 8.250 nan 0.000 0.487 1263 E N 0.942 121.148 120.200 0.009 0.000 2.288 1263 E HA 0.168 4.518 4.350 -0.000 0.000 0.268 1263 E C -0.425 176.180 176.600 0.008 0.000 0.885 1263 E CA -0.612 55.792 56.400 0.008 0.000 0.767 1263 E CB 1.771 31.472 29.700 0.002 0.000 1.220 1263 E HN 0.622 nan 8.360 nan 0.000 0.427 1264 T N -0.285 114.274 114.554 0.008 0.000 2.903 1264 T HA 0.077 4.427 4.350 -0.000 0.000 0.314 1264 T C 1.071 175.774 174.700 0.004 0.000 1.078 1264 T CA -0.433 61.672 62.100 0.008 0.000 1.114 1264 T CB 0.959 69.833 68.868 0.009 0.000 0.987 1264 T HN 0.231 nan 8.240 nan 0.000 0.548 1265 E N 0.760 120.962 120.200 0.004 0.000 2.077 1265 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 1265 E C 1.291 177.892 176.600 0.002 0.000 0.989 1265 E CA 0.977 57.379 56.400 0.003 0.000 0.800 1265 E CB -0.548 29.154 29.700 0.003 0.000 0.746 1265 E HN 0.805 nan 8.360 nan 0.000 0.452 1266 T N 1.595 116.150 114.554 0.002 0.000 2.919 1266 T HA -0.027 4.323 4.350 -0.000 0.000 0.302 1266 T C -0.188 174.512 174.700 -0.000 0.000 1.031 1266 T CA -0.564 61.538 62.100 0.002 0.000 1.127 1266 T CB 0.585 69.455 68.868 0.003 0.000 0.952 1266 T HN -0.153 nan 8.240 nan 0.000 0.540 1267 D N 2.515 122.913 120.400 -0.002 0.000 2.458 1267 D HA 0.426 5.066 4.640 -0.000 0.000 0.243 1267 D C -0.415 175.881 176.300 -0.006 0.000 1.146 1267 D CA 0.169 54.166 54.000 -0.005 0.000 0.877 1267 D CB 0.519 41.315 40.800 -0.006 0.000 1.176 1267 D HN 0.759 nan 8.370 nan 0.000 0.461 1268 A N 3.433 126.248 122.820 -0.010 0.000 2.556 1268 A HA 0.721 5.041 4.320 -0.000 0.000 0.294 1268 A C -0.894 176.675 177.584 -0.026 0.000 1.091 1268 A CA -0.693 51.337 52.037 -0.012 0.000 0.704 1268 A CB 1.699 20.696 19.000 -0.005 0.000 1.300 1268 A HN 0.588 nan 8.150 nan 0.000 0.406 1269 E N 0.615 120.794 120.200 -0.035 0.000 2.381 1269 E HA 0.454 4.804 4.350 -0.000 0.000 0.286 1269 E C -1.818 174.732 176.600 -0.083 0.000 0.960 1269 E CA -0.672 55.691 56.400 -0.062 0.000 0.793 1269 E CB 1.277 30.946 29.700 -0.052 0.000 1.225 1269 E HN 0.496 nan 8.360 nan 0.000 0.420 1270 I N 3.299 123.773 120.570 -0.159 0.000 2.496 1270 I HA 0.182 4.352 4.170 -0.000 0.000 0.285 1270 I C 0.173 176.191 176.117 -0.165 0.000 1.080 1270 I CA -0.028 61.126 61.300 -0.243 0.000 1.404 1270 I CB 0.551 38.165 38.000 -0.644 0.000 1.403 1270 I HN 0.293 nan 8.210 nan 0.000 0.539 1271 R N 7.357 127.810 120.500 -0.079 0.000 2.423 1271 R HA 0.443 4.783 4.340 -0.000 0.000 0.293 1271 R C -0.625 175.683 176.300 0.012 0.000 1.196 1271 R CA -0.570 55.511 56.100 -0.030 0.000 1.262 1271 R CB 0.204 30.502 30.300 -0.003 0.000 1.116 1271 R HN 0.554 nan 8.270 nan 0.000 0.566 1272 I N 1.897 122.463 120.570 -0.007 0.000 2.588 1272 I HA -0.001 4.169 4.170 -0.000 0.000 0.283 1272 I C 1.438 177.584 176.117 0.048 0.000 1.119 1272 I CA 0.562 61.897 61.300 0.058 0.000 1.419 1272 I CB 1.055 39.079 38.000 0.040 0.000 1.394 1272 I HN 0.524 nan 8.210 nan 0.000 0.562 1273 T N -0.754 113.840 114.554 0.066 0.000 3.087 1273 T HA 0.273 4.622 4.350 -0.000 0.000 0.283 1273 T C 0.069 174.794 174.700 0.042 0.000 0.956 1273 T CA -0.329 61.797 62.100 0.044 0.000 0.894 1273 T CB 0.302 69.194 68.868 0.039 0.000 1.160 1273 T HN 0.450 nan 8.240 nan 0.000 0.532 1274 D N 1.374 121.806 120.400 0.054 0.000 2.857 1274 D HA 0.322 4.962 4.640 -0.000 0.000 0.227 1274 D C -2.326 174.005 176.300 0.051 0.000 1.192 1274 D CA -1.510 52.516 54.000 0.043 0.000 0.857 1274 D CB 2.768 43.589 40.800 0.035 0.000 1.645 1274 D HN -0.235 nan 8.370 nan 0.000 0.482 1275 P HA -0.121 nan 4.420 nan 0.000 0.218 1275 P C 1.157 178.481 177.300 0.040 0.000 1.148 1275 P CA 1.068 64.190 63.100 0.037 0.000 0.822 1275 P CB 0.290 32.006 31.700 0.025 0.000 0.784 1276 A N -0.014 122.824 122.820 0.030 0.000 1.978 1276 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 1276 A C 2.069 179.667 177.584 0.023 0.000 1.170 1276 A CA 1.655 53.702 52.037 0.018 0.000 0.636 1276 A CB -0.950 18.052 19.000 0.003 0.000 0.810 1276 A HN 0.195 nan 8.150 nan 0.000 0.448 1277 K N -0.454 119.982 120.400 0.060 0.000 2.155 1277 K HA 0.068 4.388 4.320 -0.000 0.000 0.203 1277 K C 1.688 178.430 176.600 0.237 0.000 1.052 1277 K CA 0.891 57.253 56.287 0.125 0.000 0.948 1277 K CB -0.311 32.342 32.500 0.254 0.000 0.728 1277 K HN 0.476 nan 8.250 nan 0.000 0.448 1278 L N 0.411 121.730 121.223 0.160 0.000 2.127 1278 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 1278 L C 2.385 179.330 176.870 0.125 0.000 1.089 1278 L CA 0.952 55.875 54.840 0.139 0.000 0.757 1278 L CB -0.311 41.794 42.059 0.077 0.000 0.899 1278 L HN 0.257 nan 8.230 nan 0.000 0.434 1279 M N -1.403 118.247 119.600 0.083 0.000 2.357 1279 M HA -0.075 4.405 4.480 -0.000 0.000 0.266 1279 M C 2.191 178.509 176.300 0.031 0.000 1.095 1279 M CA 1.050 56.381 55.300 0.052 0.000 1.156 1279 M CB -0.953 31.662 32.600 0.026 0.000 1.365 1279 M HN 0.190 nan 8.290 nan 0.000 0.447 1280 E N 0.663 120.855 120.200 -0.013 0.000 2.070 1280 E HA -0.198 4.152 4.350 -0.000 0.000 0.197 1280 E C 1.937 178.436 176.600 -0.169 0.000 1.004 1280 E CA 1.708 58.022 56.400 -0.142 0.000 0.805 1280 E CB -0.195 29.336 29.700 -0.281 0.000 0.744 1280 E HN 0.455 nan 8.360 nan 0.000 0.451 1281 F N 0.399 120.353 119.950 0.007 0.000 2.206 1281 F HA -0.017 4.510 4.527 0.000 0.000 0.298 1281 F C 2.515 178.321 175.800 0.010 0.000 1.090 1281 F CA 0.573 58.577 58.000 0.007 0.000 1.323 1281 F CB -0.195 38.809 39.000 0.006 0.000 1.028 1281 F HN -0.016 nan 8.300 nan 0.000 0.492 1282 I N -0.029 120.655 120.570 0.190 0.000 2.163 1282 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 1282 I C 2.288 178.451 176.117 0.076 0.000 1.085 1282 I CA 1.303 62.671 61.300 0.113 0.000 1.347 1282 I CB -0.390 37.660 38.000 0.084 0.000 1.044 1282 I HN 0.109 nan 8.210 nan 0.000 0.408 1283 E N 0.198 120.428 120.200 0.050 0.000 2.150 1283 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 1283 E C 2.022 178.634 176.600 0.021 0.000 0.985 1283 E CA 0.948 57.364 56.400 0.026 0.000 0.814 1283 E CB -0.189 29.513 29.700 0.003 0.000 0.752 1283 E HN 0.447 nan 8.360 nan 0.000 0.466 1284 Q N 1.348 121.160 119.800 0.020 0.000 2.079 1284 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 1284 Q C 1.673 177.703 176.000 0.050 0.000 0.974 1284 Q CA 1.577 57.391 55.803 0.019 0.000 0.840 1284 Q CB 0.018 28.759 28.738 0.004 0.000 0.898 1284 Q HN 0.287 nan 8.270 nan 0.000 0.430 1285 E N -0.409 119.837 120.200 0.076 0.000 2.152 1285 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 1285 E C 1.843 178.480 176.600 0.061 0.000 0.983 1285 E CA 0.808 57.252 56.400 0.072 0.000 0.818 1285 E CB 0.095 29.842 29.700 0.079 0.000 0.758 1285 E HN 0.347 nan 8.360 nan 0.000 0.467 1286 E N 1.050 121.286 120.200 0.060 0.000 2.072 1286 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 1286 E C 1.909 178.540 176.600 0.052 0.000 0.985 1286 E CA 0.847 57.286 56.400 0.065 0.000 0.801 1286 E CB -0.113 29.622 29.700 0.058 0.000 0.750 1286 E HN 0.164 nan 8.360 nan 0.000 0.452 1287 K N 0.654 121.074 120.400 0.034 0.000 2.026 1287 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 1287 K C 2.282 178.898 176.600 0.026 0.000 1.048 1287 K CA 1.362 57.661 56.287 0.020 0.000 0.929 1287 K CB -0.162 32.344 32.500 0.009 0.000 0.713 1287 K HN 0.040 nan 8.250 nan 0.000 0.439 1288 M N 0.939 120.559 119.600 0.033 0.000 2.108 1288 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 1288 M C 2.085 178.410 176.300 0.042 0.000 1.066 1288 M CA 1.473 56.794 55.300 0.035 0.000 1.107 1288 M CB -0.068 32.555 32.600 0.038 0.000 1.356 1288 M HN 0.357 nan 8.290 nan 0.000 0.406 1289 L N 0.094 121.351 121.223 0.056 0.000 2.027 1289 L HA -0.223 4.117 4.340 -0.000 0.000 0.206 1289 L C 2.248 179.176 176.870 0.096 0.000 1.074 1289 L CA 1.545 56.431 54.840 0.077 0.000 0.745 1289 L CB -0.303 41.814 42.059 0.096 0.000 0.898 1289 L HN 0.280 nan 8.230 nan 0.000 0.433 1290 K N -0.349 120.099 120.400 0.080 0.000 2.097 1290 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 1290 K C 1.656 178.269 176.600 0.022 0.000 1.049 1290 K CA 1.576 57.885 56.287 0.038 0.000 0.933 1290 K CB -0.162 32.329 32.500 -0.015 0.000 0.717 1290 K HN 0.356 nan 8.250 nan 0.000 0.442 1291 D N 0.529 120.942 120.400 0.022 0.000 2.144 1291 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 1291 D C 1.937 178.250 176.300 0.022 0.000 0.984 1291 D CA 0.996 55.005 54.000 0.015 0.000 0.834 1291 D CB 0.003 40.812 40.800 0.014 0.000 0.955 1291 D HN 0.069 nan 8.370 nan 0.000 0.465 1292 M N 0.375 119.994 119.600 0.032 0.000 2.084 1292 M HA -0.139 4.341 4.480 -0.000 0.000 0.259 1292 M C 2.455 178.777 176.300 0.038 0.000 1.072 1292 M CA 0.946 56.266 55.300 0.034 0.000 1.107 1292 M CB -1.093 31.530 32.600 0.039 0.000 1.299 1292 M HN -0.071 nan 8.290 nan 0.000 0.413 1293 V N 0.597 120.544 119.914 0.055 0.000 2.287 1293 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 1293 V C 2.734 178.851 176.094 0.038 0.000 1.053 1293 V CA 1.945 64.284 62.300 0.064 0.000 1.027 1293 V CB -1.461 30.436 31.823 0.124 0.000 0.646 1293 V HN 0.543 nan 8.190 nan 0.000 0.447 1294 A N -0.153 122.680 122.820 0.022 0.000 1.940 1294 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 1294 A C 2.192 179.781 177.584 0.009 0.000 1.176 1294 A CA 2.187 54.227 52.037 0.005 0.000 0.631 1294 A CB -0.528 18.468 19.000 -0.007 0.000 0.814 1294 A HN 0.570 nan 8.150 nan 0.000 0.446 1295 E N 0.268 120.476 120.200 0.014 0.000 2.077 1295 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 1295 E C 1.696 178.305 176.600 0.017 0.000 0.989 1295 E CA 1.380 57.789 56.400 0.014 0.000 0.800 1295 E CB -0.394 29.316 29.700 0.016 0.000 0.746 1295 E HN 0.657 nan 8.360 nan 0.000 0.452 1296 I N 0.615 121.198 120.570 0.021 0.000 2.142 1296 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 1296 I C 2.618 178.747 176.117 0.020 0.000 1.078 1296 I CA 1.288 62.601 61.300 0.022 0.000 1.343 1296 I CB -0.444 37.571 38.000 0.025 0.000 1.046 1296 I HN 0.102 nan 8.210 nan 0.000 0.405 1297 K N 1.678 122.089 120.400 0.018 0.000 2.063 1297 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 1297 K C 2.126 178.733 176.600 0.011 0.000 1.048 1297 K CA 1.804 58.100 56.287 0.015 0.000 0.928 1297 K CB -0.238 32.269 32.500 0.011 0.000 0.713 1297 K HN 0.317 nan 8.250 nan 0.000 0.442 1298 A N 0.507 123.333 122.820 0.010 0.000 2.024 1298 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 1298 A C 2.239 179.829 177.584 0.010 0.000 1.164 1298 A CA 2.163 54.205 52.037 0.008 0.000 0.643 1298 A CB -0.652 18.352 19.000 0.007 0.000 0.806 1298 A HN 0.440 nan 8.150 nan 0.000 0.451 1299 S N -1.966 113.742 115.700 0.014 0.000 2.453 1299 S HA 0.216 4.686 4.470 -0.000 0.000 0.231 1299 S C 1.483 176.093 174.600 0.016 0.000 1.005 1299 S CA 1.626 59.835 58.200 0.016 0.000 0.949 1299 S CB -0.321 62.890 63.200 0.019 0.000 0.774 1299 S HN 1.818 nan 8.310 nan 0.000 0.510 1300 G N -0.011 108.798 108.800 0.015 0.000 2.176 1300 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.232 1300 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.232 1300 G C 0.151 175.063 174.900 0.019 0.000 0.986 1300 G CA 0.112 45.221 45.100 0.016 0.000 0.643 1300 G HN 1.018 nan 8.290 nan 0.000 0.522 1301 A N 0.048 122.881 122.820 0.022 0.000 2.477 1301 A HA 0.600 4.920 4.320 -0.000 0.000 0.246 1301 A C 1.080 178.676 177.584 0.020 0.000 1.078 1301 A CA 0.776 52.828 52.037 0.026 0.000 0.770 1301 A CB 0.183 19.201 19.000 0.030 0.000 1.011 1301 A HN 0.378 nan 8.150 nan 0.000 0.494 1302 N N 0.484 119.197 118.700 0.021 0.000 2.159 1302 N HA 0.167 4.907 4.740 -0.000 0.000 0.217 1302 N C -0.882 174.630 175.510 0.002 0.000 1.223 1302 N CA 0.369 53.427 53.050 0.013 0.000 0.896 1302 N CB 1.238 39.735 38.487 0.016 0.000 1.064 1302 N HN 0.360 nan 8.380 nan 0.000 0.518 1303 V N 1.888 121.806 119.914 0.008 0.000 2.709 1303 V HA 0.510 4.630 4.120 -0.000 0.000 0.308 1303 V C -1.078 175.005 176.094 -0.019 0.000 1.062 1303 V CA -0.908 61.377 62.300 -0.024 0.000 0.901 1303 V CB 2.697 34.542 31.823 0.036 0.000 1.003 1303 V HN -0.032 nan 8.190 nan 0.000 0.425 1304 L N 4.560 125.705 121.223 -0.130 0.000 2.470 1304 L HA 0.726 5.066 4.340 -0.000 0.000 0.268 1304 L C -1.729 174.998 176.870 -0.238 0.000 0.964 1304 L CA -0.045 54.750 54.840 -0.075 0.000 0.839 1304 L CB 1.768 43.802 42.059 -0.040 0.000 1.276 1304 L HN 0.476 nan 8.230 nan 0.000 0.403 1305 F N 4.864 124.818 119.950 0.006 0.000 2.388 1305 F HA 0.525 5.052 4.527 -0.000 0.000 0.358 1305 F C 0.206 176.007 175.800 0.001 0.000 1.122 1305 F CA -0.240 57.761 58.000 0.002 0.000 1.056 1305 F CB 1.436 40.436 39.000 0.001 0.000 1.155 1305 F HN 0.575 nan 8.300 nan 0.000 0.461 1306 C N 4.695 124.066 119.300 0.118 0.000 2.376 1306 C HA 0.287 4.747 4.460 -0.000 0.000 0.335 1306 C C 1.502 176.539 174.990 0.079 0.000 1.229 1306 C CA -0.377 58.687 59.018 0.075 0.000 1.867 1306 C CB 1.183 28.938 27.740 0.024 0.000 2.319 1306 C HN 0.946 nan 8.230 nan 0.000 0.515 1307 Q N 2.834 122.670 119.800 0.059 0.000 2.062 1307 Q HA 0.007 4.347 4.340 -0.000 0.000 0.196 1307 Q C 1.107 177.125 176.000 0.030 0.000 0.967 1307 Q CA 1.481 57.312 55.803 0.046 0.000 0.832 1307 Q CB 0.132 28.889 28.738 0.033 0.000 0.899 1307 Q HN 0.696 nan 8.270 nan 0.000 0.442 1308 K N -0.293 120.119 120.400 0.021 0.000 2.894 1308 K HA 0.301 4.621 4.320 -0.000 0.000 0.325 1308 K C 0.584 177.186 176.600 0.004 0.000 0.984 1308 K CA 0.213 56.506 56.287 0.010 0.000 1.266 1308 K CB -0.895 31.609 32.500 0.006 0.000 1.423 1308 K HN 0.170 nan 8.250 nan 0.000 0.614 1309 G N 0.231 109.027 108.800 -0.005 0.000 2.504 1309 G HA2 0.552 4.512 3.960 -0.000 0.000 0.288 1309 G HA3 0.552 4.512 3.960 -0.000 0.000 0.288 1309 G C -0.557 174.328 174.900 -0.025 0.000 1.182 1309 G CA -0.582 44.508 45.100 -0.016 0.000 0.894 1309 G HN 0.300 nan 8.290 nan 0.000 0.521 1310 I N 1.132 121.678 120.570 -0.040 0.000 2.439 1310 I HA 0.148 4.318 4.170 -0.000 0.000 0.283 1310 I C -0.343 175.722 176.117 -0.085 0.000 1.023 1310 I CA -0.738 60.527 61.300 -0.059 0.000 1.100 1310 I CB 1.803 39.766 38.000 -0.062 0.000 1.238 1310 I HN 0.450 nan 8.210 nan 0.000 0.445 1311 D N 5.011 125.353 120.400 -0.097 0.000 2.449 1311 D HA -0.082 4.558 4.640 -0.000 0.000 0.236 1311 D C 0.638 176.810 176.300 -0.213 0.000 1.149 1311 D CA 0.279 54.201 54.000 -0.130 0.000 0.878 1311 D CB 1.277 42.005 40.800 -0.120 0.000 1.198 1311 D HN 0.476 nan 8.370 nan 0.000 0.446 1312 D N 2.478 122.728 120.400 -0.250 0.000 2.133 1312 D HA -0.183 4.457 4.640 -0.000 0.000 0.195 1312 D C 1.757 177.560 176.300 -0.828 0.000 0.997 1312 D CA 0.687 54.433 54.000 -0.424 0.000 0.840 1312 D CB -0.103 40.505 40.800 -0.319 0.000 0.947 1312 D HN 0.339 nan 8.370 nan 0.000 0.452 1313 L N 0.808 121.649 121.223 -0.637 0.000 2.042 1313 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 1313 L C 2.134 178.533 176.870 -0.784 0.000 1.076 1313 L CA 1.752 56.165 54.840 -0.713 0.000 0.749 1313 L CB -0.753 41.041 42.059 -0.443 0.000 0.893 1313 L HN -0.010 nan 8.230 nan 0.000 0.432 1314 A N -1.254 121.280 122.820 -0.477 0.000 1.902 1314 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 1314 A C 2.161 179.628 177.584 -0.195 0.000 1.181 1314 A CA 1.796 53.666 52.037 -0.278 0.000 0.623 1314 A CB -0.554 18.362 19.000 -0.140 0.000 0.818 1314 A HN 0.656 nan 8.150 nan 0.000 0.443 1315 Q N -0.999 118.661 119.800 -0.233 0.000 2.096 1315 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 1315 Q C 1.913 177.911 176.000 -0.003 0.000 0.982 1315 Q CA 1.837 57.569 55.803 -0.119 0.000 0.850 1315 Q CB -0.412 28.250 28.738 -0.126 0.000 0.901 1315 Q HN 0.897 nan 8.270 nan 0.000 0.422 1316 H N -1.106 117.886 119.070 -0.130 0.000 2.321 1316 H HA -0.160 4.396 4.556 -0.000 0.000 0.300 1316 H C 1.722 177.102 175.328 0.087 0.000 1.087 1316 H CA 1.103 57.109 56.048 -0.069 0.000 1.319 1316 H CB 0.067 29.741 29.762 -0.146 0.000 1.379 1316 H HN 0.252 nan 8.280 nan 0.000 0.501 1317 Y N 0.774 121.142 120.300 0.114 0.000 2.200 1317 Y HA -0.137 4.413 4.550 0.000 0.000 0.290 1317 Y C 2.549 178.468 175.900 0.032 0.000 1.137 1317 Y CA 0.489 58.623 58.100 0.056 0.000 1.163 1317 Y CB -0.883 37.598 38.460 0.034 0.000 0.988 1317 Y HN 0.140 nan 8.280 nan 0.000 0.518 1318 L N -0.524 120.803 121.223 0.174 0.000 2.042 1318 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 1318 L C 2.663 179.572 176.870 0.066 0.000 1.076 1318 L CA 1.387 56.278 54.840 0.084 0.000 0.749 1318 L CB -0.872 41.205 42.059 0.030 0.000 0.893 1318 L HN 0.194 nan 8.230 nan 0.000 0.432 1319 A N -0.044 122.822 122.820 0.078 0.000 1.898 1319 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 1319 A C 2.310 179.932 177.584 0.062 0.000 1.181 1319 A CA 1.625 53.699 52.037 0.061 0.000 0.620 1319 A CB -0.348 18.694 19.000 0.070 0.000 0.819 1319 A HN 0.312 nan 8.150 nan 0.000 0.442 1320 K N -0.290 120.166 120.400 0.093 0.000 2.209 1320 K HA -0.087 4.233 4.320 -0.000 0.000 0.204 1320 K C 1.208 177.836 176.600 0.047 0.000 1.048 1320 K CA 1.175 57.505 56.287 0.072 0.000 0.940 1320 K CB -0.009 32.551 32.500 0.100 0.000 0.729 1320 K HN 0.400 nan 8.250 nan 0.000 0.451 1321 E N -0.305 119.927 120.200 0.053 0.000 2.489 1321 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 1321 E C 0.847 177.462 176.600 0.024 0.000 1.057 1321 E CA 0.420 56.840 56.400 0.032 0.000 0.866 1321 E CB 0.480 30.202 29.700 0.036 0.000 0.916 1321 E HN 0.456 nan 8.360 nan 0.000 0.500 1322 G N 2.125 110.939 108.800 0.025 0.000 2.225 1322 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.267 1322 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.267 1322 G C 0.306 175.212 174.900 0.011 0.000 1.024 1322 G CA 0.302 45.411 45.100 0.016 0.000 0.784 1322 G HN 0.286 nan 8.290 nan 0.000 0.507 1323 I N 0.240 120.817 120.570 0.012 0.000 2.395 1323 I HA 0.341 4.511 4.170 -0.000 0.000 0.289 1323 I C 0.779 176.884 176.117 -0.020 0.000 1.023 1323 I CA -0.872 60.427 61.300 -0.001 0.000 1.350 1323 I CB 1.558 39.561 38.000 0.004 0.000 1.409 1323 I HN -0.125 nan 8.210 nan 0.000 0.507 1324 V N 5.987 125.875 119.914 -0.043 0.000 2.465 1324 V HA 0.668 4.788 4.120 -0.000 0.000 0.279 1324 V C 0.347 176.350 176.094 -0.151 0.000 1.045 1324 V CA -0.279 61.973 62.300 -0.080 0.000 0.938 1324 V CB 1.270 33.047 31.823 -0.077 0.000 0.986 1324 V HN 0.872 nan 8.190 nan 0.000 0.467 1325 A N 4.008 126.727 122.820 -0.168 0.000 2.435 1325 A HA 0.986 5.306 4.320 -0.000 0.000 0.304 1325 A C -0.545 176.883 177.584 -0.260 0.000 1.064 1325 A CA -0.358 51.546 52.037 -0.222 0.000 0.727 1325 A CB 1.950 20.875 19.000 -0.124 0.000 1.284 1325 A HN 1.354 nan 8.150 nan 0.000 0.415 1326 A N 1.481 124.099 122.820 -0.336 0.000 2.393 1326 A HA 0.796 5.116 4.320 -0.000 0.000 0.306 1326 A C -0.121 177.414 177.584 -0.082 0.000 1.050 1326 A CA -0.647 51.259 52.037 -0.218 0.000 0.724 1326 A CB 1.008 19.824 19.000 -0.307 0.000 1.248 1326 A HN 1.258 nan 8.150 nan 0.000 0.424 1327 R N 1.479 121.960 120.500 -0.031 0.000 2.875 1327 R HA 0.735 5.075 4.340 -0.000 0.000 0.251 1327 R C -0.472 175.841 176.300 0.022 0.000 1.123 1327 R CA -0.808 55.289 56.100 -0.004 0.000 1.064 1327 R CB 0.491 30.778 30.300 -0.022 0.000 1.205 1327 R HN 0.489 nan 8.270 nan 0.000 0.503 1328 R N -0.552 119.959 120.500 0.019 0.000 3.405 1328 R HA -0.109 4.231 4.340 -0.000 0.000 0.258 1328 R C -0.670 175.650 176.300 0.035 0.000 1.030 1328 R CA 0.564 56.676 56.100 0.020 0.000 0.691 1328 R CB -2.545 27.761 30.300 0.010 0.000 1.093 1328 R HN 0.509 nan 8.270 nan 0.000 0.448 1329 V N 1.045 120.992 119.914 0.055 0.000 2.686 1329 V HA 0.085 4.205 4.120 -0.000 0.000 0.295 1329 V C 1.469 177.584 176.094 0.035 0.000 1.055 1329 V CA -0.309 62.030 62.300 0.066 0.000 1.050 1329 V CB 1.397 33.287 31.823 0.112 0.000 0.984 1329 V HN 0.175 nan 8.190 nan 0.000 0.482 1330 K N 3.367 123.780 120.400 0.022 0.000 2.414 1330 K HA 0.023 4.343 4.320 -0.000 0.000 0.272 1330 K C 1.346 177.948 176.600 0.004 0.000 0.993 1330 K CA -0.242 56.050 56.287 0.009 0.000 0.964 1330 K CB 0.365 32.866 32.500 0.001 0.000 0.925 1330 K HN 0.619 nan 8.250 nan 0.000 0.487 1331 K N 1.851 122.252 120.400 0.003 0.000 2.057 1331 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 1331 K C 1.530 178.125 176.600 -0.008 0.000 1.049 1331 K CA 1.809 58.096 56.287 -0.000 0.000 0.931 1331 K CB -0.130 32.370 32.500 0.001 0.000 0.714 1331 K HN 0.600 nan 8.250 nan 0.000 0.440 1332 S N 1.516 117.210 115.700 -0.010 0.000 2.399 1332 S HA -0.115 4.355 4.470 -0.000 0.000 0.231 1332 S C 1.340 175.924 174.600 -0.026 0.000 1.022 1332 S CA 1.344 59.535 58.200 -0.016 0.000 0.983 1332 S CB -0.185 63.007 63.200 -0.014 0.000 0.803 1332 S HN 0.343 nan 8.310 nan 0.000 0.480 1333 D N 1.120 121.504 120.400 -0.027 0.000 2.144 1333 D HA 0.013 4.653 4.640 -0.000 0.000 0.200 1333 D C 1.865 178.125 176.300 -0.066 0.000 0.978 1333 D CA 0.726 54.698 54.000 -0.046 0.000 0.833 1333 D CB -0.188 40.591 40.800 -0.035 0.000 0.961 1333 D HN 0.242 nan 8.370 nan 0.000 0.470 1334 M N 0.542 120.117 119.600 -0.042 0.000 2.149 1334 M HA -0.118 4.362 4.480 -0.000 0.000 0.261 1334 M C 1.878 178.147 176.300 -0.052 0.000 1.064 1334 M CA 1.298 56.572 55.300 -0.042 0.000 1.102 1334 M CB -0.813 31.783 32.600 -0.008 0.000 1.369 1334 M HN 0.121 nan 8.290 nan 0.000 0.408 1335 E N -0.200 119.976 120.200 -0.040 0.000 2.107 1335 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 1335 E C 2.069 178.640 176.600 -0.048 0.000 0.982 1335 E CA 0.786 57.164 56.400 -0.036 0.000 0.809 1335 E CB 0.016 29.701 29.700 -0.025 0.000 0.756 1335 E HN 0.492 nan 8.360 nan 0.000 0.459 1336 K N 0.575 120.940 120.400 -0.058 0.000 2.097 1336 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 1336 K C 2.146 178.690 176.600 -0.094 0.000 1.050 1336 K CA 0.706 56.954 56.287 -0.066 0.000 0.938 1336 K CB -0.010 32.452 32.500 -0.065 0.000 0.718 1336 K HN 0.112 nan 8.250 nan 0.000 0.442 1337 L N 0.324 121.467 121.223 -0.134 0.000 2.093 1337 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 1337 L C 2.525 179.309 176.870 -0.142 0.000 1.085 1337 L CA 0.923 55.641 54.840 -0.203 0.000 0.755 1337 L CB -0.478 41.382 42.059 -0.332 0.000 0.904 1337 L HN 0.194 nan 8.230 nan 0.000 0.435 1338 A N 0.223 122.987 122.820 -0.093 0.000 1.873 1338 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 1338 A C 2.319 179.878 177.584 -0.042 0.000 1.186 1338 A CA 1.565 53.569 52.037 -0.054 0.000 0.616 1338 A CB -0.304 18.675 19.000 -0.035 0.000 0.823 1338 A HN 0.280 nan 8.150 nan 0.000 0.442 1339 K N -0.252 120.123 120.400 -0.042 0.000 2.009 1339 K HA -0.097 4.223 4.320 -0.000 0.000 0.210 1339 K C 2.388 178.969 176.600 -0.030 0.000 1.049 1339 K CA 1.283 57.552 56.287 -0.030 0.000 0.929 1339 K CB -0.371 32.111 32.500 -0.029 0.000 0.714 1339 K HN 0.436 nan 8.250 nan 0.000 0.440 1340 A N 0.888 123.680 122.820 -0.047 0.000 1.832 1340 A HA -0.142 4.178 4.320 -0.000 0.000 0.214 1340 A C 2.291 179.854 177.584 -0.036 0.000 1.200 1340 A CA 2.132 54.142 52.037 -0.044 0.000 0.610 1340 A CB -1.091 17.869 19.000 -0.067 0.000 0.842 1340 A HN 0.268 nan 8.150 nan 0.000 0.444 1341 T N -0.871 113.650 114.554 -0.055 0.000 2.951 1341 T HA 0.283 4.633 4.350 -0.000 0.000 0.268 1341 T C 1.321 176.014 174.700 -0.012 0.000 1.073 1341 T CA 1.465 63.543 62.100 -0.037 0.000 1.134 1341 T CB -0.355 68.478 68.868 -0.059 0.000 0.884 1341 T HN 1.637 nan 8.240 nan 0.000 0.479 1342 G N 1.419 110.210 108.800 -0.015 0.000 2.182 1342 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.248 1342 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.248 1342 G C 0.044 174.946 174.900 0.003 0.000 1.042 1342 G CA -0.133 44.967 45.100 -0.001 0.000 0.775 1342 G HN 0.876 nan 8.290 nan 0.000 0.501 1343 A N -0.424 122.394 122.820 -0.004 0.000 2.303 1343 A HA 0.758 5.078 4.320 -0.000 0.000 0.317 1343 A C 0.184 177.771 177.584 0.004 0.000 1.149 1343 A CA -0.234 51.807 52.037 0.008 0.000 0.822 1343 A CB 0.905 19.914 19.000 0.015 0.000 1.131 1343 A HN 0.719 nan 8.150 nan 0.000 0.493 1344 N N 1.511 120.218 118.700 0.012 0.000 2.425 1344 N HA 0.357 5.097 4.740 -0.000 0.000 0.268 1344 N C -0.806 174.713 175.510 0.014 0.000 0.991 1344 N CA -0.278 52.778 53.050 0.010 0.000 0.931 1344 N CB 1.168 39.662 38.487 0.011 0.000 1.130 1344 N HN 0.289 nan 8.380 nan 0.000 0.493 1345 V N 4.879 124.799 119.914 0.010 0.000 2.485 1345 V HA 0.134 4.253 4.120 -0.000 0.000 0.287 1345 V C 0.455 176.558 176.094 0.015 0.000 1.022 1345 V CA 0.004 62.312 62.300 0.014 0.000 1.067 1345 V CB -0.124 31.704 31.823 0.008 0.000 0.967 1345 V HN 0.529 nan 8.190 nan 0.000 0.479 1346 I N 4.788 125.369 120.570 0.019 0.000 2.530 1346 I HA 0.334 4.504 4.170 -0.000 0.000 0.297 1346 I C 1.278 177.406 176.117 0.017 0.000 1.011 1346 I CA -0.231 61.080 61.300 0.017 0.000 1.107 1346 I CB 2.024 40.035 38.000 0.019 0.000 1.285 1346 I HN 0.773 nan 8.210 nan 0.000 0.436 1347 T N 1.936 116.499 114.554 0.014 0.000 2.755 1347 T HA 0.036 4.386 4.350 -0.000 0.000 0.251 1347 T C 0.830 175.538 174.700 0.014 0.000 1.044 1347 T CA 0.415 62.523 62.100 0.013 0.000 1.154 1347 T CB -0.098 68.776 68.868 0.011 0.000 0.866 1347 T HN 0.441 nan 8.240 nan 0.000 0.416 1348 N N 0.841 119.549 118.700 0.013 0.000 2.438 1348 N HA 0.259 4.999 4.740 -0.000 0.000 0.282 1348 N C 0.664 176.183 175.510 0.015 0.000 1.037 1348 N CA -0.719 52.339 53.050 0.014 0.000 0.942 1348 N CB 1.370 39.864 38.487 0.012 0.000 1.136 1348 N HN 0.174 nan 8.380 nan 0.000 0.481 1349 I N 3.675 124.255 120.570 0.016 0.000 2.335 1349 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 1349 I C 1.817 177.944 176.117 0.015 0.000 1.129 1349 I CA 1.458 62.769 61.300 0.017 0.000 1.402 1349 I CB 0.051 38.062 38.000 0.018 0.000 1.069 1349 I HN 0.489 nan 8.210 nan 0.000 0.424 1350 K N 0.348 120.756 120.400 0.013 0.000 2.152 1350 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 1350 K C 1.628 178.235 176.600 0.011 0.000 1.048 1350 K CA 1.525 57.819 56.287 0.012 0.000 0.933 1350 K CB -0.572 31.934 32.500 0.011 0.000 0.721 1350 K HN 0.426 nan 8.250 nan 0.000 0.447 1351 D N 0.374 120.781 120.400 0.012 0.000 2.289 1351 D HA -0.042 4.598 4.640 -0.000 0.000 0.207 1351 D C 0.594 176.902 176.300 0.013 0.000 0.966 1351 D CA -0.059 53.948 54.000 0.011 0.000 0.868 1351 D CB -0.163 40.644 40.800 0.011 0.000 0.943 1351 D HN -0.021 nan 8.370 nan 0.000 0.514 1352 L N 1.337 122.569 121.223 0.015 0.000 2.559 1352 L HA 0.031 4.371 4.340 -0.000 0.000 0.282 1352 L C 0.376 177.255 176.870 0.015 0.000 1.232 1352 L CA 0.399 55.249 54.840 0.017 0.000 0.885 1352 L CB 0.274 42.345 42.059 0.019 0.000 1.131 1352 L HN -0.002 nan 8.230 nan 0.000 0.498 1353 S N 2.821 118.530 115.700 0.015 0.000 2.651 1353 S HA 0.760 5.230 4.470 -0.000 0.000 0.279 1353 S C 0.608 175.217 174.600 0.016 0.000 1.148 1353 S CA -0.389 57.819 58.200 0.014 0.000 0.837 1353 S CB 1.132 64.339 63.200 0.012 0.000 1.138 1353 S HN 0.839 nan 8.310 nan 0.000 0.478 1354 A N 0.599 123.428 122.820 0.015 0.000 1.978 1354 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 1354 A C 1.985 179.579 177.584 0.017 0.000 1.170 1354 A CA 1.415 53.462 52.037 0.016 0.000 0.636 1354 A CB -0.907 18.102 19.000 0.014 0.000 0.810 1354 A HN 0.730 nan 8.150 nan 0.000 0.448 1355 Q N 0.155 119.964 119.800 0.015 0.000 2.364 1355 Q HA -0.123 4.217 4.340 -0.000 0.000 0.207 1355 Q C 0.614 176.624 176.000 0.016 0.000 0.970 1355 Q CA 1.189 57.001 55.803 0.015 0.000 0.888 1355 Q CB -0.269 28.477 28.738 0.012 0.000 0.951 1355 Q HN 0.684 nan 8.270 nan 0.000 0.469 1356 D N -0.261 120.149 120.400 0.017 0.000 2.354 1356 D HA 0.065 4.705 4.640 -0.000 0.000 0.209 1356 D C 0.591 176.905 176.300 0.023 0.000 1.015 1356 D CA 0.037 54.048 54.000 0.018 0.000 0.867 1356 D CB 0.574 41.385 40.800 0.019 0.000 0.933 1356 D HN 0.200 nan 8.370 nan 0.000 0.520 1357 L N 0.907 122.144 121.223 0.025 0.000 2.461 1357 L HA 0.286 4.626 4.340 -0.000 0.000 0.272 1357 L C 1.216 178.103 176.870 0.028 0.000 1.197 1357 L CA -0.170 54.688 54.840 0.030 0.000 0.836 1357 L CB 0.835 42.912 42.059 0.029 0.000 1.105 1357 L HN -0.092 nan 8.230 nan 0.000 0.477 1358 G N 1.000 109.820 108.800 0.034 0.000 2.509 1358 G HA2 0.484 4.444 3.960 -0.000 0.000 0.328 1358 G HA3 0.484 4.444 3.960 -0.000 0.000 0.328 1358 G C -1.359 173.561 174.900 0.033 0.000 1.194 1358 G CA -0.482 44.636 45.100 0.029 0.000 0.967 1358 G HN 0.536 nan 8.290 nan 0.000 0.488 1359 D N -0.187 120.229 120.400 0.027 0.000 2.498 1359 D HA 0.597 5.237 4.640 -0.000 0.000 0.247 1359 D C -0.459 175.856 176.300 0.026 0.000 1.070 1359 D CA -0.026 53.990 54.000 0.027 0.000 0.842 1359 D CB 2.152 42.964 40.800 0.020 0.000 1.361 1359 D HN 0.573 nan 8.370 nan 0.000 0.484 1360 A N 0.531 123.370 122.820 0.032 0.000 2.398 1360 A HA 0.609 4.929 4.320 -0.000 0.000 0.301 1360 A C 0.949 178.550 177.584 0.029 0.000 1.041 1360 A CA -0.540 51.518 52.037 0.034 0.000 0.711 1360 A CB 1.647 20.679 19.000 0.054 0.000 1.240 1360 A HN 0.521 nan 8.150 nan 0.000 0.420 1361 G N 0.470 109.282 108.800 0.019 0.000 2.443 1361 G HA2 0.313 4.273 3.960 -0.000 0.000 0.219 1361 G HA3 0.313 4.273 3.960 -0.000 0.000 0.219 1361 G C 0.223 175.137 174.900 0.023 0.000 1.131 1361 G CA 1.530 46.638 45.100 0.013 0.000 0.775 1361 G HN 1.109 nan 8.290 nan 0.000 0.547 1362 L N -0.315 120.931 121.223 0.039 0.000 2.549 1362 L HA 0.596 4.936 4.340 -0.000 0.000 0.259 1362 L C -1.531 175.385 176.870 0.077 0.000 0.934 1362 L CA -0.734 54.135 54.840 0.048 0.000 0.865 1362 L CB 2.450 44.532 42.059 0.038 0.000 1.352 1362 L HN -0.160 nan 8.230 nan 0.000 0.410 1363 V N 4.132 124.092 119.914 0.078 0.000 2.443 1363 V HA 0.695 4.815 4.120 -0.000 0.000 0.293 1363 V C -0.614 175.536 176.094 0.094 0.000 1.021 1363 V CA -0.421 61.942 62.300 0.104 0.000 0.848 1363 V CB 1.536 33.419 31.823 0.101 0.000 0.998 1363 V HN 0.820 nan 8.190 nan 0.000 0.424 1364 E N 3.114 123.392 120.200 0.130 0.000 2.343 1364 E HA 0.407 4.757 4.350 -0.000 0.000 0.278 1364 E C -1.139 175.558 176.600 0.161 0.000 0.910 1364 E CA -0.685 55.777 56.400 0.103 0.000 0.757 1364 E CB 2.356 32.085 29.700 0.048 0.000 1.218 1364 E HN 0.743 nan 8.360 nan 0.000 0.435 1365 E N 3.940 124.205 120.200 0.109 0.000 2.194 1365 E HA 0.241 4.591 4.350 -0.000 0.000 0.284 1365 E C -0.883 175.777 176.600 0.099 0.000 1.035 1365 E CA -0.233 56.241 56.400 0.124 0.000 0.836 1365 E CB 0.716 30.460 29.700 0.075 0.000 1.070 1365 E HN 0.329 nan 8.360 nan 0.000 0.401 1366 R N 3.446 124.050 120.500 0.172 0.000 2.740 1366 R HA 0.356 4.696 4.340 -0.000 0.000 0.282 1366 R C -1.018 175.365 176.300 0.137 0.000 0.969 1366 R CA -1.109 55.038 56.100 0.077 0.000 0.918 1366 R CB 1.537 31.740 30.300 -0.162 0.000 1.175 1366 R HN 0.256 nan 8.270 nan 0.000 0.464 1367 K N 2.143 122.583 120.400 0.067 0.000 2.227 1367 K HA 0.389 4.709 4.320 -0.000 0.000 0.280 1367 K C -0.526 176.121 176.600 0.077 0.000 1.041 1367 K CA -0.119 56.211 56.287 0.071 0.000 0.905 1367 K CB 0.834 33.357 32.500 0.039 0.000 1.068 1367 K HN 0.311 nan 8.250 nan 0.000 0.470 1368 I N 2.284 122.915 120.570 0.103 0.000 2.439 1368 I HA 0.144 4.314 4.170 -0.000 0.000 0.283 1368 I C 0.194 176.350 176.117 0.065 0.000 1.023 1368 I CA -0.361 60.998 61.300 0.098 0.000 1.100 1368 I CB 1.180 39.275 38.000 0.158 0.000 1.238 1368 I HN 0.723 nan 8.210 nan 0.000 0.445 1369 S N 4.576 120.304 115.700 0.046 0.000 3.682 1369 S HA -0.218 4.252 4.470 -0.000 0.000 0.354 1369 S C 1.406 176.025 174.600 0.031 0.000 1.034 1369 S CA 1.621 59.842 58.200 0.034 0.000 1.084 1369 S CB -1.038 62.181 63.200 0.033 0.000 0.903 1369 S HN 1.580 nan 8.310 nan 0.000 0.470 1370 G N 0.133 108.952 108.800 0.031 0.000 2.550 1370 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.233 1370 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.233 1370 G C -0.204 174.716 174.900 0.034 0.000 1.170 1370 G CA 0.367 45.484 45.100 0.028 0.000 0.693 1370 G HN 0.723 nan 8.290 nan 0.000 0.512 1371 D N 1.853 122.276 120.400 0.038 0.000 2.443 1371 D HA 0.459 5.099 4.640 -0.000 0.000 0.239 1371 D C 1.022 177.356 176.300 0.056 0.000 1.136 1371 D CA 0.873 54.897 54.000 0.040 0.000 0.879 1371 D CB 1.262 42.082 40.800 0.034 0.000 1.195 1371 D HN 0.709 nan 8.370 nan 0.000 0.443 1372 S N 1.946 117.676 115.700 0.051 0.000 2.523 1372 S HA 0.616 5.086 4.470 -0.000 0.000 0.275 1372 S C 0.023 174.664 174.600 0.069 0.000 1.281 1372 S CA -0.716 57.524 58.200 0.067 0.000 1.050 1372 S CB 0.767 63.998 63.200 0.051 0.000 0.937 1372 S HN 0.384 nan 8.310 nan 0.000 0.492 1373 M N 2.708 122.374 119.600 0.110 0.000 2.575 1373 M HA 0.502 4.982 4.480 -0.000 0.000 0.284 1373 M C -1.301 175.070 176.300 0.119 0.000 1.253 1373 M CA -0.869 54.470 55.300 0.065 0.000 0.861 1373 M CB 1.968 34.570 32.600 0.003 0.000 1.733 1373 M HN 0.432 nan 8.290 nan 0.000 0.462 1374 I N 1.676 122.255 120.570 0.014 0.000 2.412 1374 I HA 0.459 4.629 4.170 -0.000 0.000 0.296 1374 I C -1.105 174.975 176.117 -0.061 0.000 0.987 1374 I CA -0.364 60.989 61.300 0.087 0.000 1.180 1374 I CB 0.987 39.046 38.000 0.098 0.000 1.340 1374 I HN 0.530 nan 8.210 nan 0.000 0.455 1375 F N 4.770 124.747 119.950 0.046 0.000 2.426 1375 F HA 0.418 4.945 4.527 0.000 0.000 0.348 1375 F C 0.214 176.039 175.800 0.042 0.000 1.124 1375 F CA -0.767 57.255 58.000 0.036 0.000 1.008 1375 F CB 1.793 40.807 39.000 0.024 0.000 1.139 1375 F HN -0.006 nan 8.300 nan 0.000 0.452 1376 V N 3.992 123.994 119.914 0.147 0.000 2.257 1376 V HA 0.340 4.460 4.120 -0.000 0.000 0.269 1376 V C -0.484 175.668 176.094 0.098 0.000 1.040 1376 V CA -0.577 61.787 62.300 0.107 0.000 0.813 1376 V CB 0.425 32.280 31.823 0.054 0.000 1.065 1376 V HN 0.795 nan 8.190 nan 0.000 0.457 1377 E N 3.023 123.290 120.200 0.111 0.000 2.369 1377 E HA 0.716 5.066 4.350 -0.000 0.000 0.270 1377 E C -0.651 175.978 176.600 0.049 0.000 0.909 1377 E CA -0.839 55.615 56.400 0.089 0.000 0.775 1377 E CB 1.971 31.745 29.700 0.122 0.000 1.270 1377 E HN 0.198 nan 8.360 nan 0.000 0.445 1378 E N -0.765 119.451 120.200 0.027 0.000 3.169 1378 E HA -0.130 4.220 4.350 -0.000 0.000 0.305 1378 E C -0.669 175.922 176.600 -0.014 0.000 0.912 1378 E CA 0.469 56.870 56.400 0.001 0.000 1.029 1378 E CB -2.465 27.237 29.700 0.003 0.000 1.514 1378 E HN 0.632 nan 8.360 nan 0.000 0.412 1379 C N 1.261 120.555 119.300 -0.009 0.000 2.679 1379 C HA 0.048 4.508 4.460 -0.000 0.000 0.417 1379 C C 2.292 177.239 174.990 -0.071 0.000 1.302 1379 C CA 0.099 59.104 59.018 -0.021 0.000 1.973 1379 C CB 0.280 28.018 27.740 -0.005 0.000 2.715 1379 C HN 0.355 nan 8.230 nan 0.000 0.628 1380 K N 1.153 121.497 120.400 -0.093 0.000 1.969 1380 K HA -0.113 4.207 4.320 -0.000 0.000 0.223 1380 K C 0.445 176.790 176.600 -0.425 0.000 1.048 1380 K CA 1.411 57.557 56.287 -0.235 0.000 0.983 1380 K CB -0.122 32.297 32.500 -0.134 0.000 0.738 1380 K HN 0.696 nan 8.250 nan 0.000 0.446 1381 H N 0.807 119.882 119.070 0.008 0.000 2.423 1381 H HA 0.252 4.808 4.556 -0.000 0.000 0.237 1381 H C -2.368 172.962 175.328 0.004 0.000 1.391 1381 H CA -1.966 54.085 56.048 0.006 0.000 1.453 1381 H CB 0.427 30.192 29.762 0.005 0.000 1.484 1381 H HN 0.256 nan 8.280 nan 0.000 0.505 1382 P HA 0.055 nan 4.420 nan 0.000 0.268 1382 P C 0.691 178.018 177.300 0.046 0.000 1.205 1382 P CA -0.428 62.697 63.100 0.042 0.000 0.771 1382 P CB 1.744 33.456 31.700 0.020 0.000 0.858 1383 K N 0.458 120.875 120.400 0.029 0.000 2.358 1383 K HA 0.381 4.701 4.320 -0.000 0.000 0.197 1383 K C 0.443 177.047 176.600 0.007 0.000 1.025 1383 K CA -0.018 56.281 56.287 0.019 0.000 1.104 1383 K CB 0.615 33.123 32.500 0.014 0.000 0.855 1383 K HN 0.558 nan 8.250 nan 0.000 0.531 1384 A N 1.092 123.913 122.820 0.003 0.000 2.408 1384 A HA 0.563 4.883 4.320 -0.000 0.000 0.295 1384 A C -0.462 177.119 177.584 -0.004 0.000 1.040 1384 A CA -0.733 51.301 52.037 -0.006 0.000 0.707 1384 A CB 1.290 20.279 19.000 -0.019 0.000 1.235 1384 A HN -0.052 nan 8.150 nan 0.000 0.418 1385 V N -0.460 119.453 119.914 -0.002 0.000 2.960 1385 V HA 0.972 5.092 4.120 -0.000 0.000 0.315 1385 V C -0.295 175.797 176.094 -0.004 0.000 1.087 1385 V CA -0.578 61.724 62.300 0.002 0.000 0.982 1385 V CB 1.665 33.495 31.823 0.011 0.000 1.039 1385 V HN 0.804 nan 8.190 nan 0.000 0.437 1386 T N 3.739 118.292 114.554 -0.000 0.000 2.863 1386 T HA 0.568 4.918 4.350 -0.000 0.000 0.285 1386 T C -0.530 174.177 174.700 0.012 0.000 1.009 1386 T CA -0.289 61.808 62.100 -0.006 0.000 0.989 1386 T CB 1.552 70.401 68.868 -0.031 0.000 1.004 1386 T HN 0.920 nan 8.240 nan 0.000 0.455 1387 M N 4.212 123.818 119.600 0.010 0.000 2.060 1387 M HA 0.438 4.918 4.480 -0.000 0.000 0.342 1387 M C -1.114 175.200 176.300 0.023 0.000 1.031 1387 M CA -1.040 54.272 55.300 0.021 0.000 0.981 1387 M CB 0.238 32.848 32.600 0.016 0.000 1.376 1387 M HN 0.474 nan 8.290 nan 0.000 0.397 1388 L N 6.694 127.943 121.223 0.043 0.000 2.433 1388 L HA 0.399 4.739 4.340 -0.000 0.000 0.275 1388 L C -1.124 175.775 176.870 0.047 0.000 1.128 1388 L CA 0.617 55.490 54.840 0.055 0.000 0.875 1388 L CB 0.188 42.317 42.059 0.117 0.000 1.171 1388 L HN 0.601 nan 8.230 nan 0.000 0.463 1389 I N 6.094 126.685 120.570 0.035 0.000 2.359 1389 I HA 0.489 4.659 4.170 -0.000 0.000 0.294 1389 I C -0.038 176.097 176.117 0.031 0.000 0.987 1389 I CA -0.761 60.555 61.300 0.027 0.000 1.225 1389 I CB 0.899 38.910 38.000 0.019 0.000 1.366 1389 I HN 0.532 nan 8.210 nan 0.000 0.466 1390 R N 4.123 124.639 120.500 0.027 0.000 2.832 1390 R HA 0.890 5.230 4.340 -0.000 0.000 0.271 1390 R C -0.361 175.948 176.300 0.014 0.000 0.996 1390 R CA -1.081 55.034 56.100 0.024 0.000 0.977 1390 R CB 1.970 32.286 30.300 0.026 0.000 1.168 1390 R HN 0.877 nan 8.270 nan 0.000 0.482 1391 G N -0.935 107.873 108.800 0.013 0.000 2.519 1391 G HA2 0.155 4.115 3.960 -0.000 0.000 0.292 1391 G HA3 0.155 4.115 3.960 -0.000 0.000 0.292 1391 G C 0.213 175.118 174.900 0.009 0.000 1.507 1391 G CA -0.232 44.871 45.100 0.006 0.000 0.806 1391 G HN 0.444 nan 8.290 nan 0.000 0.523 1392 T N -2.234 112.323 114.554 0.004 0.000 3.155 1392 T HA 0.299 4.649 4.350 -0.000 0.000 0.264 1392 T C 0.836 175.544 174.700 0.013 0.000 1.160 1392 T CA 1.462 63.566 62.100 0.006 0.000 1.075 1392 T CB -0.091 68.778 68.868 0.001 0.000 0.921 1392 T HN 0.689 nan 8.240 nan 0.000 0.533 1393 T N 0.227 114.792 114.554 0.017 0.000 2.885 1393 T HA 0.340 4.690 4.350 -0.000 0.000 0.322 1393 T C 0.296 175.022 174.700 0.043 0.000 1.387 1393 T CA -0.657 61.463 62.100 0.032 0.000 1.041 1393 T CB 2.391 71.282 68.868 0.040 0.000 1.287 1393 T HN 0.004 nan 8.240 nan 0.000 0.491 1394 E N 0.907 121.141 120.200 0.056 0.000 2.038 1394 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 1394 E C 1.659 178.325 176.600 0.110 0.000 1.000 1394 E CA 2.031 58.469 56.400 0.064 0.000 0.803 1394 E CB -0.205 29.524 29.700 0.050 0.000 0.750 1394 E HN 0.756 nan 8.360 nan 0.000 0.448 1395 H N -0.957 118.114 119.070 0.001 0.000 2.422 1395 H HA -0.087 4.469 4.556 0.000 0.000 0.298 1395 H C 1.825 177.153 175.328 0.000 0.000 1.098 1395 H CA 1.147 57.195 56.048 0.001 0.000 1.315 1395 H CB 0.338 30.100 29.762 -0.000 0.000 1.382 1395 H HN 0.115 nan 8.280 nan 0.000 0.523 1396 V N 1.784 121.697 119.914 -0.001 0.000 2.283 1396 V HA -0.255 3.865 4.120 -0.000 0.000 0.243 1396 V C 2.624 178.698 176.094 -0.034 0.000 1.039 1396 V CA 1.805 64.057 62.300 -0.079 0.000 1.016 1396 V CB -0.424 31.371 31.823 -0.047 0.000 0.650 1396 V HN 0.553 nan 8.190 nan 0.000 0.449 1397 I N -1.156 119.417 120.570 0.005 0.000 2.493 1397 I HA -0.171 3.999 4.170 -0.000 0.000 0.254 1397 I C 2.283 178.413 176.117 0.021 0.000 1.160 1397 I CA 1.948 63.256 61.300 0.012 0.000 1.445 1397 I CB -0.554 37.458 38.000 0.021 0.000 1.086 1397 I HN 0.389 nan 8.210 nan 0.000 0.433 1398 E N 1.504 121.730 120.200 0.043 0.000 2.072 1398 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 1398 E C 2.034 178.661 176.600 0.045 0.000 0.985 1398 E CA 1.079 57.515 56.400 0.061 0.000 0.801 1398 E CB 0.098 29.869 29.700 0.117 0.000 0.750 1398 E HN 0.489 nan 8.360 nan 0.000 0.452 1399 E N 0.213 120.425 120.200 0.019 0.000 2.152 1399 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 1399 E C 2.256 178.848 176.600 -0.014 0.000 0.983 1399 E CA 0.651 57.043 56.400 -0.013 0.000 0.818 1399 E CB 0.011 29.655 29.700 -0.094 0.000 0.758 1399 E HN 0.204 nan 8.360 nan 0.000 0.467 1400 V N 1.642 121.546 119.914 -0.016 0.000 2.407 1400 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 1400 V C 2.446 178.541 176.094 0.002 0.000 1.055 1400 V CA 1.704 63.999 62.300 -0.009 0.000 1.049 1400 V CB -0.798 31.020 31.823 -0.008 0.000 0.662 1400 V HN 0.226 nan 8.190 nan 0.000 0.455 1401 A N 0.106 122.931 122.820 0.008 0.000 1.877 1401 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 1401 A C 2.417 180.009 177.584 0.012 0.000 1.186 1401 A CA 2.046 54.090 52.037 0.011 0.000 0.620 1401 A CB -0.578 18.431 19.000 0.015 0.000 0.822 1401 A HN 0.479 nan 8.150 nan 0.000 0.443 1402 R N -0.358 120.151 120.500 0.015 0.000 2.091 1402 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 1402 R C 2.278 178.586 176.300 0.014 0.000 1.136 1402 R CA 1.478 57.587 56.100 0.016 0.000 0.959 1402 R CB -0.418 29.895 30.300 0.022 0.000 0.856 1402 R HN 0.442 nan 8.270 nan 0.000 0.437 1403 A N 0.165 122.991 122.820 0.010 0.000 1.908 1403 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 1403 A C 2.227 179.818 177.584 0.012 0.000 1.181 1403 A CA 1.669 53.712 52.037 0.011 0.000 0.627 1403 A CB -0.446 18.556 19.000 0.004 0.000 0.818 1403 A HN 0.243 nan 8.150 nan 0.000 0.445 1404 V N 0.416 120.336 119.914 0.010 0.000 2.453 1404 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 1404 V C 2.041 178.142 176.094 0.010 0.000 1.048 1404 V CA 2.015 64.322 62.300 0.010 0.000 1.049 1404 V CB -0.792 31.037 31.823 0.009 0.000 0.672 1404 V HN 0.465 nan 8.190 nan 0.000 0.457 1405 D N 0.322 120.728 120.400 0.010 0.000 2.149 1405 D HA -0.170 4.470 4.640 -0.000 0.000 0.198 1405 D C 1.852 178.158 176.300 0.011 0.000 0.990 1405 D CA 1.426 55.432 54.000 0.010 0.000 0.839 1405 D CB -0.219 40.587 40.800 0.010 0.000 0.948 1405 D HN 0.427 nan 8.370 nan 0.000 0.460 1406 D N 0.062 120.469 120.400 0.013 0.000 2.120 1406 D HA -0.007 4.633 4.640 -0.000 0.000 0.202 1406 D C 2.070 178.378 176.300 0.013 0.000 0.972 1406 D CA 1.165 55.173 54.000 0.014 0.000 0.837 1406 D CB -0.363 40.448 40.800 0.018 0.000 0.989 1406 D HN 0.114 nan 8.370 nan 0.000 0.469 1407 A N 0.765 123.594 122.820 0.014 0.000 1.908 1407 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 1407 A C 2.508 180.099 177.584 0.012 0.000 1.181 1407 A CA 1.341 53.386 52.037 0.014 0.000 0.627 1407 A CB -0.848 18.161 19.000 0.014 0.000 0.818 1407 A HN 0.142 nan 8.150 nan 0.000 0.445 1408 V N -0.076 119.845 119.914 0.010 0.000 2.343 1408 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 1408 V C 2.794 178.893 176.094 0.008 0.000 1.051 1408 V CA 1.969 64.274 62.300 0.009 0.000 1.036 1408 V CB -1.433 30.394 31.823 0.008 0.000 0.654 1408 V HN 0.634 nan 8.190 nan 0.000 0.451 1409 G N -0.247 108.558 108.800 0.008 0.000 2.433 1409 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 1409 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 1409 G C 1.635 176.539 174.900 0.007 0.000 1.186 1409 G CA 1.313 46.417 45.100 0.007 0.000 0.779 1409 G HN 0.405 nan 8.290 nan 0.000 0.543 1410 V N 0.342 120.261 119.914 0.008 0.000 2.548 1410 V HA -0.095 4.025 4.120 -0.000 0.000 0.249 1410 V C 2.967 179.066 176.094 0.008 0.000 1.055 1410 V CA 1.077 63.382 62.300 0.008 0.000 1.065 1410 V CB -0.023 31.806 31.823 0.009 0.000 0.681 1410 V HN 0.227 nan 8.190 nan 0.000 0.462 1411 V N 1.168 121.087 119.914 0.008 0.000 2.427 1411 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 1411 V C 2.603 178.701 176.094 0.007 0.000 1.051 1411 V CA 2.128 64.433 62.300 0.008 0.000 1.048 1411 V CB -1.220 30.609 31.823 0.009 0.000 0.666 1411 V HN 0.603 nan 8.190 nan 0.000 0.456 1412 G N -1.367 107.437 108.800 0.006 0.000 2.402 1412 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 1412 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 1412 G C 1.758 176.661 174.900 0.005 0.000 1.162 1412 G CA 1.216 46.319 45.100 0.005 0.000 0.777 1412 G HN 0.518 nan 8.290 nan 0.000 0.539 1413 C N 0.482 119.785 119.300 0.005 0.000 2.413 1413 C HA -0.031 4.429 4.460 -0.000 0.000 0.276 1413 C C 3.232 178.225 174.990 0.005 0.000 1.248 1413 C CA 1.623 60.644 59.018 0.005 0.000 1.742 1413 C CB -0.932 26.811 27.740 0.005 0.000 2.017 1413 C HN 0.424 nan 8.230 nan 0.000 0.481 1414 T N 0.537 115.094 114.554 0.005 0.000 2.951 1414 T HA -0.031 4.319 4.350 -0.000 0.000 0.268 1414 T C 1.516 176.219 174.700 0.005 0.000 1.073 1414 T CA 0.907 63.010 62.100 0.005 0.000 1.134 1414 T CB -0.185 68.686 68.868 0.006 0.000 0.884 1414 T HN 0.327 nan 8.240 nan 0.000 0.479 1415 I N 1.152 121.725 120.570 0.005 0.000 2.500 1415 I HA -0.006 4.164 4.170 -0.000 0.000 0.252 1415 I C 2.247 178.366 176.117 0.003 0.000 1.142 1415 I CA 1.224 62.527 61.300 0.004 0.000 1.451 1415 I CB -0.190 37.812 38.000 0.004 0.000 1.093 1415 I HN 0.257 nan 8.210 nan 0.000 0.430 1416 E N -0.738 119.464 120.200 0.003 0.000 2.140 1416 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 1416 E C 0.206 176.808 176.600 0.003 0.000 0.973 1416 E CA 0.495 56.897 56.400 0.003 0.000 0.829 1416 E CB 0.255 29.956 29.700 0.003 0.000 0.781 1416 E HN 0.226 nan 8.360 nan 0.000 0.466 1417 D N -0.485 119.917 120.400 0.004 0.000 2.446 1417 D HA 0.156 4.796 4.640 -0.000 0.000 0.251 1417 D C 0.282 176.585 176.300 0.005 0.000 1.137 1417 D CA -0.392 53.611 54.000 0.004 0.000 0.890 1417 D CB 1.135 41.938 40.800 0.005 0.000 1.071 1417 D HN 0.045 nan 8.370 nan 0.000 0.528 1418 G N 3.107 111.910 108.800 0.005 0.000 3.194 1418 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.208 1418 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.208 1418 G C 0.501 175.405 174.900 0.006 0.000 1.240 1418 G CA 0.064 45.167 45.100 0.005 0.000 1.044 1418 G HN 0.246 nan 8.290 nan 0.000 0.495 1419 R N -0.388 120.115 120.500 0.006 0.000 2.637 1419 R HA 0.697 5.037 4.340 -0.000 0.000 0.291 1419 R C 0.102 176.406 176.300 0.007 0.000 0.963 1419 R CA -0.638 55.466 56.100 0.007 0.000 0.901 1419 R CB 1.697 32.002 30.300 0.008 0.000 1.160 1419 R HN 0.323 nan 8.270 nan 0.000 0.457 1420 I N -1.876 118.698 120.570 0.007 0.000 3.145 1420 I HA 0.861 5.031 4.170 -0.000 0.000 0.313 1420 I C -1.137 174.985 176.117 0.008 0.000 1.122 1420 I CA -1.317 59.986 61.300 0.007 0.000 0.987 1420 I CB 2.475 40.479 38.000 0.006 0.000 1.236 1420 I HN 0.325 nan 8.210 nan 0.000 0.453 1421 V N 1.527 121.444 119.914 0.006 0.000 3.077 1421 V HA 0.429 4.549 4.120 -0.000 0.000 0.299 1421 V C -0.342 175.754 176.094 0.003 0.000 1.276 1421 V CA -0.269 62.035 62.300 0.007 0.000 0.993 1421 V CB 2.604 34.431 31.823 0.006 0.000 1.076 1421 V HN 0.993 nan 8.190 nan 0.000 0.434 1422 S N 3.483 119.188 115.700 0.008 0.000 2.560 1422 S HA 0.504 4.974 4.470 -0.000 0.000 0.284 1422 S C 0.569 175.159 174.600 -0.017 0.000 1.327 1422 S CA 0.377 58.578 58.200 0.002 0.000 1.055 1422 S CB 1.239 64.451 63.200 0.021 0.000 0.868 1422 S HN 1.229 nan 8.310 nan 0.000 0.506 1423 G N 0.618 109.401 108.800 -0.028 0.000 2.945 1423 G HA2 0.523 4.483 3.960 -0.000 0.000 0.156 1423 G HA3 0.523 4.483 3.960 -0.000 0.000 0.156 1423 G C 0.888 175.754 174.900 -0.057 0.000 1.375 1423 G CA -0.197 44.876 45.100 -0.044 0.000 1.039 1423 G HN 1.526 nan 8.290 nan 0.000 0.586 1424 G N -1.502 107.257 108.800 -0.069 0.000 2.258 1424 G HA2 0.247 4.207 3.960 -0.000 0.000 0.274 1424 G HA3 0.247 4.207 3.960 -0.000 0.000 0.274 1424 G C 1.413 176.266 174.900 -0.079 0.000 1.021 1424 G CA 1.252 46.306 45.100 -0.077 0.000 0.798 1424 G HN 2.421 nan 8.290 nan 0.000 0.507 1425 G N -1.458 107.295 108.800 -0.078 0.000 2.160 1425 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.251 1425 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.251 1425 G C 1.331 176.163 174.900 -0.113 0.000 1.008 1425 G CA 1.577 46.625 45.100 -0.087 0.000 0.724 1425 G HN 1.904 nan 8.290 nan 0.000 0.514 1426 S N -0.349 115.281 115.700 -0.118 0.000 2.383 1426 S HA -0.135 4.335 4.470 -0.000 0.000 0.227 1426 S C 2.821 177.334 174.600 -0.145 0.000 1.026 1426 S CA 2.559 60.652 58.200 -0.178 0.000 0.981 1426 S CB -0.455 62.674 63.200 -0.118 0.000 0.818 1426 S HN 1.285 nan 8.310 nan 0.000 0.472 1427 T N 0.207 114.713 114.554 -0.080 0.000 2.622 1427 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 1427 T C 1.581 176.249 174.700 -0.054 0.000 1.047 1427 T CA 1.644 63.715 62.100 -0.048 0.000 1.159 1427 T CB -0.979 67.874 68.868 -0.026 0.000 0.863 1427 T HN 0.386 nan 8.240 nan 0.000 0.422 1428 E N 0.842 121.003 120.200 -0.064 0.000 2.171 1428 E HA -0.058 4.292 4.350 -0.000 0.000 0.197 1428 E C 2.261 178.815 176.600 -0.077 0.000 0.997 1428 E CA 0.831 57.191 56.400 -0.066 0.000 0.810 1428 E CB -0.662 28.988 29.700 -0.084 0.000 0.738 1428 E HN 0.414 nan 8.360 nan 0.000 0.467 1429 V N 0.898 120.745 119.914 -0.113 0.000 2.379 1429 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 1429 V C 2.118 178.151 176.094 -0.102 0.000 1.044 1429 V CA 1.470 63.692 62.300 -0.130 0.000 1.036 1429 V CB -0.316 31.376 31.823 -0.219 0.000 0.664 1429 V HN 0.220 nan 8.190 nan 0.000 0.453 1430 E N 0.054 120.196 120.200 -0.098 0.000 2.051 1430 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 1430 E C 2.193 178.776 176.600 -0.029 0.000 0.991 1430 E CA 1.181 57.562 56.400 -0.033 0.000 0.799 1430 E CB -0.307 29.393 29.700 -0.000 0.000 0.748 1430 E HN 0.338 nan 8.360 nan 0.000 0.449 1431 L N 0.947 122.159 121.223 -0.018 0.000 2.046 1431 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 1431 L C 2.577 179.443 176.870 -0.007 0.000 1.077 1431 L CA 1.467 56.313 54.840 0.010 0.000 0.747 1431 L CB -1.246 40.844 42.059 0.052 0.000 0.896 1431 L HN 0.041 nan 8.230 nan 0.000 0.432 1432 S N -1.247 114.441 115.700 -0.020 0.000 2.368 1432 S HA -0.257 4.213 4.470 -0.000 0.000 0.225 1432 S C 2.049 176.619 174.600 -0.050 0.000 1.030 1432 S CA 1.635 59.821 58.200 -0.023 0.000 0.999 1432 S CB -0.178 62.999 63.200 -0.038 0.000 0.844 1432 S HN 0.330 nan 8.310 nan 0.000 0.459 1433 M N 1.302 120.863 119.600 -0.066 0.000 2.066 1433 M HA 0.034 4.514 4.480 -0.000 0.000 0.259 1433 M C 1.788 177.985 176.300 -0.171 0.000 1.074 1433 M CA 1.887 57.137 55.300 -0.083 0.000 1.114 1433 M CB -0.527 32.042 32.600 -0.051 0.000 1.306 1433 M HN 0.041 nan 8.290 nan 0.000 0.411 1434 K N 0.084 120.339 120.400 -0.241 0.000 2.097 1434 K HA -0.012 4.308 4.320 -0.000 0.000 0.206 1434 K C 1.892 177.939 176.600 -0.922 0.000 1.049 1434 K CA 1.448 57.394 56.287 -0.568 0.000 0.933 1434 K CB -0.776 31.456 32.500 -0.447 0.000 0.717 1434 K HN 0.397 nan 8.250 nan 0.000 0.442 1435 L N 0.354 121.337 121.223 -0.400 0.000 2.131 1435 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 1435 L C 2.594 179.416 176.870 -0.079 0.000 1.092 1435 L CA 0.922 55.675 54.840 -0.146 0.000 0.759 1435 L CB -0.292 41.796 42.059 0.047 0.000 0.903 1435 L HN 0.179 nan 8.230 nan 0.000 0.435 1436 R N 0.754 121.193 120.500 -0.102 0.000 2.092 1436 R HA -0.162 4.178 4.340 -0.000 0.000 0.231 1436 R C 1.865 178.141 176.300 -0.040 0.000 1.119 1436 R CA 1.546 57.621 56.100 -0.041 0.000 0.970 1436 R CB -0.056 30.223 30.300 -0.036 0.000 0.864 1436 R HN 0.485 nan 8.270 nan 0.000 0.440 1437 E N -0.787 119.341 120.200 -0.119 0.000 2.072 1437 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 1437 E C 1.886 178.546 176.600 0.100 0.000 0.982 1437 E CA 0.941 57.312 56.400 -0.048 0.000 0.803 1437 E CB -0.179 29.458 29.700 -0.105 0.000 0.755 1437 E HN 0.318 nan 8.360 nan 0.000 0.453 1438 Y N 0.806 121.115 120.300 0.016 0.000 2.207 1438 Y HA -0.166 4.384 4.550 -0.000 0.000 0.287 1438 Y C 2.397 178.304 175.900 0.011 0.000 1.156 1438 Y CA 0.643 58.750 58.100 0.010 0.000 1.182 1438 Y CB -1.250 37.213 38.460 0.006 0.000 0.979 1438 Y HN 0.041 nan 8.280 nan 0.000 0.521 1439 A N 0.327 123.248 122.820 0.168 0.000 1.883 1439 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 1439 A C 2.203 179.833 177.584 0.077 0.000 1.186 1439 A CA 1.852 53.950 52.037 0.102 0.000 0.624 1439 A CB -0.486 18.561 19.000 0.078 0.000 0.822 1439 A HN 0.342 nan 8.150 nan 0.000 0.444 1440 E N -0.535 119.707 120.200 0.070 0.000 2.150 1440 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 1440 E C 2.156 178.789 176.600 0.055 0.000 0.985 1440 E CA 1.081 57.512 56.400 0.053 0.000 0.814 1440 E CB -0.652 29.074 29.700 0.043 0.000 0.752 1440 E HN 0.603 nan 8.360 nan 0.000 0.466 1441 G N 1.151 109.997 108.800 0.076 0.000 2.402 1441 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 1441 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 1441 G C 1.739 176.663 174.900 0.039 0.000 1.162 1441 G CA 0.403 45.540 45.100 0.061 0.000 0.777 1441 G HN 0.179 nan 8.290 nan 0.000 0.539 1442 I N -0.143 120.453 120.570 0.044 0.000 2.286 1442 I HA 0.010 4.180 4.170 -0.000 0.000 0.245 1442 I C 1.749 177.879 176.117 0.023 0.000 1.104 1442 I CA 0.622 61.938 61.300 0.026 0.000 1.397 1442 I CB -0.276 37.741 38.000 0.029 0.000 1.072 1442 I HN 0.318 nan 8.210 nan 0.000 0.417 1443 S N -0.721 114.997 115.700 0.030 0.000 3.307 1443 S HA -0.152 4.318 4.470 -0.000 0.000 0.634 1443 S C 0.591 175.203 174.600 0.020 0.000 2.711 1443 S CA 0.944 59.159 58.200 0.025 0.000 2.940 1443 S CB -1.371 61.840 63.200 0.019 0.000 0.331 1443 S HN 1.369 nan 8.310 nan 0.000 1.766 1444 G N 0.622 109.432 108.800 0.016 0.000 2.569 1444 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.259 1444 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.259 1444 G C 0.149 175.058 174.900 0.016 0.000 1.263 1444 G CA 1.165 46.273 45.100 0.013 0.000 0.928 1444 G HN 1.159 nan 8.290 nan 0.000 0.572 1445 R N 0.298 120.805 120.500 0.013 0.000 2.153 1445 R HA 0.194 4.534 4.340 -0.000 0.000 0.218 1445 R C 2.596 178.906 176.300 0.016 0.000 1.072 1445 R CA 1.803 57.912 56.100 0.015 0.000 0.990 1445 R CB -0.363 29.945 30.300 0.014 0.000 0.889 1445 R HN 0.707 nan 8.270 nan 0.000 0.452 1446 E N 0.469 120.676 120.200 0.012 0.000 2.160 1446 E HA -0.281 4.069 4.350 -0.000 0.000 0.195 1446 E C 1.810 178.429 176.600 0.032 0.000 0.991 1446 E CA 1.453 57.860 56.400 0.012 0.000 0.810 1446 E CB -0.010 29.693 29.700 0.004 0.000 0.742 1446 E HN 0.534 nan 8.360 nan 0.000 0.466 1447 Q N 0.444 120.266 119.800 0.036 0.000 2.170 1447 Q HA -0.187 4.153 4.340 -0.000 0.000 0.203 1447 Q C 1.976 178.014 176.000 0.063 0.000 0.976 1447 Q CA 1.048 56.883 55.803 0.052 0.000 0.858 1447 Q CB -0.172 28.593 28.738 0.045 0.000 0.907 1447 Q HN 0.165 nan 8.270 nan 0.000 0.433 1448 L N 1.165 122.419 121.223 0.052 0.000 2.093 1448 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 1448 L C 2.559 179.482 176.870 0.089 0.000 1.085 1448 L CA 1.898 56.774 54.840 0.060 0.000 0.755 1448 L CB -1.077 41.006 42.059 0.039 0.000 0.904 1448 L HN 0.410 nan 8.230 nan 0.000 0.435 1449 A N -1.244 121.620 122.820 0.074 0.000 1.898 1449 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 1449 A C 2.331 180.076 177.584 0.268 0.000 1.181 1449 A CA 1.677 53.769 52.037 0.092 0.000 0.620 1449 A CB -0.802 18.186 19.000 -0.020 0.000 0.819 1449 A HN 0.193 nan 8.150 nan 0.000 0.442 1450 V N -0.125 119.901 119.914 0.186 0.000 2.515 1450 V HA -0.187 3.933 4.120 -0.000 0.000 0.250 1450 V C 2.575 178.799 176.094 0.217 0.000 1.058 1450 V CA 2.043 64.462 62.300 0.198 0.000 1.064 1450 V CB -0.795 31.098 31.823 0.117 0.000 0.675 1450 V HN 0.607 nan 8.190 nan 0.000 0.461 1451 R N 0.228 120.828 120.500 0.167 0.000 2.075 1451 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 1451 R C 2.290 178.679 176.300 0.148 0.000 1.126 1451 R CA 1.498 57.675 56.100 0.128 0.000 0.963 1451 R CB -0.344 30.008 30.300 0.087 0.000 0.858 1451 R HN 0.490 nan 8.270 nan 0.000 0.435 1452 A N 0.004 122.951 122.820 0.212 0.000 1.969 1452 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 1452 A C 1.906 179.596 177.584 0.178 0.000 1.169 1452 A CA 0.892 53.063 52.037 0.223 0.000 0.635 1452 A CB -0.624 18.566 19.000 0.317 0.000 0.810 1452 A HN 0.483 nan 8.150 nan 0.000 0.445 1453 F N 0.881 120.877 119.950 0.077 0.000 2.134 1453 F HA -0.061 4.466 4.527 -0.000 0.000 0.299 1453 F C 2.518 178.248 175.800 -0.118 0.000 1.097 1453 F CA 1.283 59.159 58.000 -0.207 0.000 1.264 1453 F CB -0.228 38.684 39.000 -0.148 0.000 1.001 1453 F HN 0.249 nan 8.300 nan 0.000 0.479 1454 A N -0.271 122.646 122.820 0.161 0.000 1.933 1454 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 1454 A C 1.876 179.438 177.584 -0.037 0.000 1.175 1454 A CA 1.965 54.040 52.037 0.064 0.000 0.628 1454 A CB -0.863 18.187 19.000 0.083 0.000 0.814 1454 A HN 0.413 nan 8.150 nan 0.000 0.444 1455 D N -0.103 120.281 120.400 -0.026 0.000 2.224 1455 D HA 0.057 4.697 4.640 -0.000 0.000 0.205 1455 D C 2.118 178.359 176.300 -0.098 0.000 0.965 1455 D CA 1.227 55.201 54.000 -0.044 0.000 0.852 1455 D CB -0.284 40.511 40.800 -0.007 0.000 0.947 1455 D HN 0.421 nan 8.370 nan 0.000 0.494 1456 A N 0.537 123.255 122.820 -0.170 0.000 1.969 1456 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 1456 A C 2.243 179.663 177.584 -0.274 0.000 1.169 1456 A CA 0.549 52.440 52.037 -0.244 0.000 0.635 1456 A CB -0.631 18.136 19.000 -0.389 0.000 0.810 1456 A HN 0.204 nan 8.150 nan 0.000 0.445 1457 L N -0.575 120.466 121.223 -0.305 0.000 2.265 1457 L HA -0.182 4.158 4.340 -0.000 0.000 0.215 1457 L C 2.411 179.187 176.870 -0.157 0.000 1.117 1457 L CA 1.484 56.174 54.840 -0.251 0.000 0.782 1457 L CB -0.418 41.517 42.059 -0.207 0.000 0.914 1457 L HN 0.564 nan 8.230 nan 0.000 0.441 1458 E N 0.000 120.124 120.200 -0.128 0.000 2.409 1458 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 1458 E C 2.202 178.750 176.600 -0.086 0.000 1.024 1458 E CA 0.501 56.845 56.400 -0.093 0.000 0.861 1458 E CB 0.176 29.832 29.700 -0.074 0.000 0.788 1458 E HN 0.307 nan 8.360 nan 0.000 0.521 1459 V N 0.870 120.725 119.914 -0.098 0.000 2.469 1459 V HA -0.245 3.875 4.120 -0.000 0.000 0.251 1459 V C 1.919 177.968 176.094 -0.075 0.000 1.064 1459 V CA 1.224 63.475 62.300 -0.082 0.000 1.066 1459 V CB -0.296 31.473 31.823 -0.090 0.000 0.667 1459 V HN 0.324 nan 8.190 nan 0.000 0.461 1460 I N 0.636 121.156 120.570 -0.084 0.000 2.113 1460 I HA -0.093 4.077 4.170 -0.000 0.000 0.238 1460 I C 0.308 176.386 176.117 -0.066 0.000 1.070 1460 I CA 1.823 63.079 61.300 -0.074 0.000 1.332 1460 I CB -3.030 34.922 38.000 -0.079 0.000 1.044 1460 I HN 0.336 nan 8.210 nan 0.000 0.402 1461 P HA -0.137 nan 4.420 nan 0.000 0.216 1461 P C 1.727 178.995 177.300 -0.052 0.000 1.153 1461 P CA 1.396 64.458 63.100 -0.062 0.000 0.858 1461 P CB -0.120 31.540 31.700 -0.066 0.000 0.789 1462 R N -0.637 119.832 120.500 -0.051 0.000 2.091 1462 R HA -0.075 4.265 4.340 -0.000 0.000 0.238 1462 R C 2.151 178.428 176.300 -0.038 0.000 1.136 1462 R CA 2.208 58.282 56.100 -0.043 0.000 0.959 1462 R CB -2.033 28.241 30.300 -0.044 0.000 0.856 1462 R HN 0.356 nan 8.270 nan 0.000 0.437 1463 T N -1.902 112.627 114.554 -0.041 0.000 3.057 1463 T HA 0.067 4.417 4.350 -0.000 0.000 0.254 1463 T C 1.903 176.583 174.700 -0.033 0.000 1.094 1463 T CA -0.047 62.033 62.100 -0.035 0.000 1.088 1463 T CB -0.015 68.832 68.868 -0.036 0.000 0.934 1463 T HN -0.103 nan 8.240 nan 0.000 0.497 1464 L N 1.811 123.010 121.223 -0.040 0.000 2.027 1464 L HA 0.298 4.638 4.340 -0.000 0.000 0.206 1464 L C 2.934 179.782 176.870 -0.037 0.000 1.074 1464 L CA 1.766 56.581 54.840 -0.043 0.000 0.745 1464 L CB -1.169 40.858 42.059 -0.054 0.000 0.898 1464 L HN 0.429 nan 8.230 nan 0.000 0.433 1465 A N -1.641 121.158 122.820 -0.035 0.000 2.021 1465 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 1465 A C 2.278 179.851 177.584 -0.018 0.000 1.163 1465 A CA 1.055 53.076 52.037 -0.026 0.000 0.676 1465 A CB -0.387 18.597 19.000 -0.027 0.000 0.818 1465 A HN 0.465 nan 8.150 nan 0.000 0.453 1466 E N 0.340 120.528 120.200 -0.020 0.000 2.028 1466 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 1466 E C 1.483 178.077 176.600 -0.010 0.000 0.988 1466 E CA 1.337 57.729 56.400 -0.015 0.000 0.799 1466 E CB -0.137 29.552 29.700 -0.018 0.000 0.755 1466 E HN 0.512 nan 8.360 nan 0.000 0.447 1467 N N 0.303 118.996 118.700 -0.011 0.000 2.309 1467 N HA -0.107 4.633 4.740 -0.000 0.000 0.182 1467 N C 1.396 176.908 175.510 0.003 0.000 1.018 1467 N CA 1.122 54.169 53.050 -0.005 0.000 0.876 1467 N CB -0.217 38.266 38.487 -0.008 0.000 0.972 1467 N HN 0.233 nan 8.380 nan 0.000 0.434 1468 A N -0.125 122.695 122.820 0.000 0.000 2.067 1468 A HA 0.319 4.639 4.320 -0.000 0.000 0.217 1468 A C 1.512 179.105 177.584 0.015 0.000 1.156 1468 A CA 1.109 53.153 52.037 0.011 0.000 0.683 1468 A CB -0.371 18.629 19.000 0.000 0.000 0.808 1468 A HN 0.313 nan 8.150 nan 0.000 0.455 1469 G N -1.329 107.475 108.800 0.006 0.000 2.149 1469 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.235 1469 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.235 1469 G C -0.026 174.877 174.900 0.005 0.000 1.018 1469 G CA 0.285 45.388 45.100 0.006 0.000 0.728 1469 G HN 0.432 nan 8.290 nan 0.000 0.508 1470 L N 0.133 121.357 121.223 0.001 0.000 2.399 1470 L HA 0.446 4.786 4.340 -0.000 0.000 0.265 1470 L C 0.547 177.414 176.870 -0.006 0.000 1.089 1470 L CA -1.011 53.828 54.840 -0.002 0.000 0.802 1470 L CB 0.844 42.899 42.059 -0.005 0.000 1.180 1470 L HN 0.095 nan 8.230 nan 0.000 0.454 1471 D N 1.184 121.581 120.400 -0.005 0.000 2.346 1471 D HA 0.077 4.717 4.640 -0.000 0.000 0.267 1471 D C 0.755 177.048 176.300 -0.012 0.000 1.320 1471 D CA 0.170 54.166 54.000 -0.007 0.000 0.951 1471 D CB 1.602 42.398 40.800 -0.005 0.000 1.079 1471 D HN 0.638 nan 8.370 nan 0.000 0.509 1472 A N 4.925 127.736 122.820 -0.014 0.000 1.908 1472 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 1472 A C 2.301 179.873 177.584 -0.020 0.000 1.181 1472 A CA 1.022 53.047 52.037 -0.020 0.000 0.627 1472 A CB -0.353 18.635 19.000 -0.021 0.000 0.818 1472 A HN 0.755 nan 8.150 nan 0.000 0.445 1473 I N -1.070 119.490 120.570 -0.016 0.000 2.142 1473 I HA -0.222 3.948 4.170 -0.000 0.000 0.240 1473 I C 2.607 178.716 176.117 -0.013 0.000 1.078 1473 I CA 1.861 63.152 61.300 -0.015 0.000 1.343 1473 I CB -0.329 37.664 38.000 -0.012 0.000 1.046 1473 I HN 0.368 nan 8.210 nan 0.000 0.405 1474 E N 1.226 121.420 120.200 -0.011 0.000 2.072 1474 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 1474 E C 2.131 178.726 176.600 -0.009 0.000 0.985 1474 E CA 1.221 57.616 56.400 -0.008 0.000 0.801 1474 E CB -0.020 29.677 29.700 -0.006 0.000 0.750 1474 E HN 0.238 nan 8.360 nan 0.000 0.452 1475 I N 0.372 120.935 120.570 -0.012 0.000 2.127 1475 I HA -0.248 3.922 4.170 -0.000 0.000 0.241 1475 I C 2.079 178.186 176.117 -0.017 0.000 1.075 1475 I CA 0.948 62.239 61.300 -0.014 0.000 1.334 1475 I CB -1.090 36.899 38.000 -0.018 0.000 1.040 1475 I HN 0.226 nan 8.210 nan 0.000 0.405 1476 L N 0.147 121.356 121.223 -0.022 0.000 2.042 1476 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 1476 L C 2.622 179.480 176.870 -0.019 0.000 1.076 1476 L CA 1.383 56.206 54.840 -0.027 0.000 0.749 1476 L CB -1.204 40.836 42.059 -0.031 0.000 0.893 1476 L HN 0.018 nan 8.230 nan 0.000 0.432 1477 V N -0.830 119.076 119.914 -0.013 0.000 2.358 1477 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 1477 V C 2.600 178.693 176.094 -0.001 0.000 1.047 1477 V CA 1.345 63.641 62.300 -0.007 0.000 1.035 1477 V CB -0.519 31.301 31.823 -0.006 0.000 0.658 1477 V HN 0.379 nan 8.190 nan 0.000 0.452 1478 K N -0.071 120.329 120.400 -0.001 0.000 2.057 1478 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 1478 K C 2.141 178.747 176.600 0.010 0.000 1.050 1478 K CA 1.051 57.340 56.287 0.004 0.000 0.935 1478 K CB -0.713 31.788 32.500 0.001 0.000 0.715 1478 K HN 0.383 nan 8.250 nan 0.000 0.439 1479 V N 1.534 121.450 119.914 0.004 0.000 2.261 1479 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 1479 V C 2.495 178.610 176.094 0.035 0.000 1.047 1479 V CA 1.660 63.966 62.300 0.011 0.000 1.015 1479 V CB -0.428 31.386 31.823 -0.014 0.000 0.642 1479 V HN 0.299 nan 8.190 nan 0.000 0.446 1480 R N 0.044 120.551 120.500 0.013 0.000 2.091 1480 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 1480 R C 2.414 178.757 176.300 0.071 0.000 1.136 1480 R CA 1.581 57.699 56.100 0.029 0.000 0.959 1480 R CB -0.660 29.638 30.300 -0.003 0.000 0.856 1480 R HN 0.558 nan 8.270 nan 0.000 0.437 1481 A N 1.252 124.096 122.820 0.041 0.000 1.858 1481 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 1481 A C 2.405 180.012 177.584 0.038 0.000 1.190 1481 A CA 1.724 53.781 52.037 0.033 0.000 0.617 1481 A CB -0.802 18.209 19.000 0.017 0.000 0.827 1481 A HN 0.405 nan 8.150 nan 0.000 0.443 1482 A N -1.210 121.634 122.820 0.041 0.000 1.908 1482 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 1482 A C 2.154 179.766 177.584 0.046 0.000 1.181 1482 A CA 1.868 53.926 52.037 0.035 0.000 0.627 1482 A CB -0.992 18.028 19.000 0.032 0.000 0.818 1482 A HN 0.791 nan 8.150 nan 0.000 0.445 1483 H N 0.023 119.085 119.070 -0.013 0.000 2.353 1483 H HA -0.046 4.510 4.556 0.000 0.000 0.300 1483 H C 2.207 177.527 175.328 -0.012 0.000 1.090 1483 H CA 1.662 57.702 56.048 -0.013 0.000 1.327 1483 H CB -0.214 29.538 29.762 -0.016 0.000 1.383 1483 H HN 0.397 nan 8.280 nan 0.000 0.508 1484 A N -0.082 122.748 122.820 0.017 0.000 2.019 1484 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 1484 A C 2.700 180.239 177.584 -0.075 0.000 1.164 1484 A CA 1.799 53.816 52.037 -0.033 0.000 0.644 1484 A CB -0.624 18.396 19.000 0.034 0.000 0.805 1484 A HN 0.511 nan 8.150 nan 0.000 0.449 1485 S N -0.556 115.109 115.700 -0.058 0.000 2.370 1485 S HA -0.054 4.416 4.470 -0.000 0.000 0.214 1485 S C 1.792 176.351 174.600 -0.068 0.000 1.033 1485 S CA 0.788 58.959 58.200 -0.049 0.000 0.941 1485 S CB -0.354 62.832 63.200 -0.024 0.000 0.886 1485 S HN 0.568 nan 8.310 nan 0.000 0.521 1486 N N 1.309 119.969 118.700 -0.067 0.000 2.396 1486 N HA 0.212 4.952 4.740 -0.000 0.000 0.180 1486 N C 1.070 176.520 175.510 -0.099 0.000 1.028 1486 N CA 1.012 54.024 53.050 -0.063 0.000 0.893 1486 N CB -0.019 38.447 38.487 -0.035 0.000 0.967 1486 N HN 0.634 nan 8.380 nan 0.000 0.440 1487 G N 0.338 109.023 108.800 -0.193 0.000 2.378 1487 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.198 1487 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.198 1487 G C 0.050 174.728 174.900 -0.369 0.000 1.223 1487 G CA -0.035 44.910 45.100 -0.258 0.000 1.088 1487 G HN 0.263 nan 8.290 nan 0.000 0.530 1488 N N 0.432 119.028 118.700 -0.174 0.000 2.415 1488 N HA 0.138 4.878 4.740 -0.000 0.000 0.174 1488 N C 1.618 177.168 175.510 0.067 0.000 1.048 1488 N CA 1.169 54.225 53.050 0.011 0.000 0.895 1488 N CB 0.139 38.660 38.487 0.055 0.000 1.036 1488 N HN 0.609 nan 8.380 nan 0.000 0.449 1489 K N -0.653 119.757 120.400 0.015 0.000 2.399 1489 K HA 0.378 4.698 4.320 -0.000 0.000 0.204 1489 K C -0.540 176.068 176.600 0.013 0.000 1.023 1489 K CA 0.010 56.308 56.287 0.019 0.000 1.127 1489 K CB 0.333 32.837 32.500 0.008 0.000 0.856 1489 K HN 0.016 nan 8.250 nan 0.000 0.514 1490 C N 1.294 120.600 119.300 0.011 0.000 3.401 1490 C HA 0.706 5.166 4.460 -0.000 0.000 0.204 1490 C C 0.406 175.411 174.990 0.026 0.000 1.522 1490 C CA -0.507 58.515 59.018 0.007 0.000 1.409 1490 C CB -0.542 27.189 27.740 -0.015 0.000 1.967 1490 C HN 0.662 nan 8.230 nan 0.000 0.496 1491 A N 0.477 123.326 122.820 0.050 0.000 3.169 1491 A HA 0.930 5.250 4.320 -0.000 0.000 0.146 1491 A C 0.531 178.136 177.584 0.034 0.000 1.265 1491 A CA 0.559 52.637 52.037 0.069 0.000 2.339 1491 A CB -0.749 18.346 19.000 0.160 0.000 2.810 1491 A HN 1.986 nan 8.150 nan 0.000 1.169 1492 G N -1.369 107.450 108.800 0.031 0.000 2.960 1492 G HA2 0.229 4.189 3.960 -0.000 0.000 0.267 1492 G HA3 0.229 4.189 3.960 -0.000 0.000 0.267 1492 G C -0.322 174.562 174.900 -0.027 0.000 1.492 1492 G CA 0.209 45.299 45.100 -0.016 0.000 0.953 1492 G HN 2.018 nan 8.290 nan 0.000 0.555 1493 L N 0.085 121.278 121.223 -0.051 0.000 2.312 1493 L HA 0.732 5.072 4.340 -0.000 0.000 0.281 1493 L C 0.231 177.049 176.870 -0.086 0.000 1.070 1493 L CA -0.829 53.976 54.840 -0.058 0.000 0.805 1493 L CB 1.599 43.620 42.059 -0.064 0.000 1.174 1493 L HN 0.674 nan 8.230 nan 0.000 0.434 1494 N N 3.115 121.770 118.700 -0.074 0.000 2.800 1494 N HA 0.232 4.972 4.740 -0.000 0.000 0.240 1494 N C 0.658 176.109 175.510 -0.099 0.000 1.096 1494 N CA -0.310 52.675 53.050 -0.108 0.000 0.877 1494 N CB 0.942 39.402 38.487 -0.044 0.000 1.138 1494 N HN 0.515 nan 8.380 nan 0.000 0.509 1495 V N 2.526 122.326 119.914 -0.189 0.000 2.453 1495 V HA -0.246 3.874 4.120 -0.000 0.000 0.252 1495 V C 1.485 177.623 176.094 0.073 0.000 1.068 1495 V CA 1.545 63.784 62.300 -0.101 0.000 1.070 1495 V CB -0.815 30.914 31.823 -0.157 0.000 0.664 1495 V HN 0.581 nan 8.190 nan 0.000 0.461 1496 F N 1.179 121.127 119.950 -0.004 0.000 2.146 1496 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 1496 F C 2.665 178.464 175.800 -0.003 0.000 1.096 1496 F CA 1.773 59.771 58.000 -0.004 0.000 1.275 1496 F CB -1.582 37.416 39.000 -0.004 0.000 1.008 1496 F HN 0.383 nan 8.300 nan 0.000 0.480 1497 T N -3.750 110.916 114.554 0.187 0.000 3.044 1497 T HA 0.369 4.719 4.350 -0.000 0.000 0.250 1497 T C 1.562 176.299 174.700 0.061 0.000 1.081 1497 T CA 0.477 62.637 62.100 0.100 0.000 1.040 1497 T CB -0.122 68.792 68.868 0.077 0.000 0.962 1497 T HN 0.420 nan 8.240 nan 0.000 0.506 1498 G N 1.192 110.024 108.800 0.052 0.000 2.295 1498 G HA2 0.199 4.159 3.960 -0.000 0.000 0.287 1498 G HA3 0.199 4.159 3.960 -0.000 0.000 0.287 1498 G C 0.112 175.021 174.900 0.015 0.000 1.055 1498 G CA -0.055 45.061 45.100 0.027 0.000 0.922 1498 G HN 1.442 nan 8.290 nan 0.000 0.503 1499 A N -1.699 121.127 122.820 0.011 0.000 2.608 1499 A HA 0.943 5.263 4.320 -0.000 0.000 0.292 1499 A C 0.309 177.895 177.584 0.002 0.000 1.066 1499 A CA 0.048 52.090 52.037 0.008 0.000 0.676 1499 A CB 0.881 19.889 19.000 0.013 0.000 1.277 1499 A HN 1.942 nan 8.150 nan 0.000 0.413 1500 V N -0.647 119.269 119.914 0.003 0.000 3.209 1500 V HA 0.514 4.634 4.120 -0.000 0.000 0.305 1500 V C 0.173 176.271 176.094 0.006 0.000 1.127 1500 V CA 0.368 62.670 62.300 0.004 0.000 1.235 1500 V CB 0.180 32.009 31.823 0.011 0.000 0.987 1500 V HN 0.940 nan 8.190 nan 0.000 0.499 1501 E N 0.679 120.882 120.200 0.006 0.000 2.296 1501 E HA 0.384 4.734 4.350 -0.000 0.000 0.224 1501 E C -1.412 175.194 176.600 0.010 0.000 0.949 1501 E CA -0.598 55.807 56.400 0.008 0.000 0.879 1501 E CB 0.821 30.526 29.700 0.008 0.000 1.922 1501 E HN 0.877 nan 8.360 nan 0.000 0.437 1502 D N 1.263 121.668 120.400 0.009 0.000 2.441 1502 D HA 0.187 4.827 4.640 -0.000 0.000 0.231 1502 D C 0.871 177.175 176.300 0.008 0.000 1.073 1502 D CA -0.303 53.702 54.000 0.009 0.000 0.850 1502 D CB 0.801 41.606 40.800 0.008 0.000 1.062 1502 D HN 0.188 nan 8.370 nan 0.000 0.524 1503 M N 1.946 121.551 119.600 0.007 0.000 2.108 1503 M HA -0.146 4.334 4.480 -0.000 0.000 0.261 1503 M C 2.281 178.584 176.300 0.005 0.000 1.066 1503 M CA 0.860 56.161 55.300 0.001 0.000 1.107 1503 M CB -1.094 31.507 32.600 0.001 0.000 1.356 1503 M HN 0.547 nan 8.290 nan 0.000 0.406 1504 C N 0.447 119.752 119.300 0.008 0.000 2.453 1504 C HA -0.170 4.290 4.460 -0.000 0.000 0.277 1504 C C 2.713 177.708 174.990 0.009 0.000 1.262 1504 C CA 1.496 60.519 59.018 0.008 0.000 1.718 1504 C CB -0.857 26.888 27.740 0.008 0.000 2.031 1504 C HN 0.596 nan 8.230 nan 0.000 0.480 1505 E N 1.153 121.358 120.200 0.009 0.000 2.118 1505 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 1505 E C 1.611 178.219 176.600 0.014 0.000 0.992 1505 E CA 1.681 58.087 56.400 0.010 0.000 0.804 1505 E CB -0.374 29.332 29.700 0.010 0.000 0.741 1505 E HN 0.632 nan 8.360 nan 0.000 0.458 1506 N N -0.433 118.275 118.700 0.015 0.000 2.398 1506 N HA 0.070 4.810 4.740 -0.000 0.000 0.188 1506 N C 0.546 176.068 175.510 0.020 0.000 1.122 1506 N CA 0.898 53.961 53.050 0.021 0.000 0.866 1506 N CB 0.528 39.028 38.487 0.022 0.000 0.970 1506 N HN 0.287 nan 8.380 nan 0.000 0.462 1507 G N 0.540 109.348 108.800 0.014 0.000 2.283 1507 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.280 1507 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.280 1507 G C -0.090 174.816 174.900 0.010 0.000 1.029 1507 G CA 0.261 45.369 45.100 0.013 0.000 0.840 1507 G HN 0.200 nan 8.290 nan 0.000 0.505 1508 V N 1.064 120.979 119.914 0.002 0.000 2.222 1508 V HA 0.477 4.597 4.120 -0.000 0.000 0.253 1508 V C 0.792 176.877 176.094 -0.014 0.000 1.210 1508 V CA 0.068 62.361 62.300 -0.012 0.000 1.079 1508 V CB 0.540 32.343 31.823 -0.034 0.000 1.265 1508 V HN 0.960 nan 8.190 nan 0.000 0.494 1509 V N 1.912 121.822 119.914 -0.007 0.000 2.914 1509 V HA 0.888 5.008 4.120 -0.000 0.000 0.314 1509 V C -0.574 175.516 176.094 -0.007 0.000 1.084 1509 V CA -0.850 61.446 62.300 -0.006 0.000 0.963 1509 V CB 2.295 34.119 31.823 0.000 0.000 1.025 1509 V HN 0.777 nan 8.190 nan 0.000 0.432 1510 E N 2.151 122.347 120.200 -0.008 0.000 2.336 1510 E HA 0.723 5.073 4.350 -0.000 0.000 0.267 1510 E C -3.108 173.490 176.600 -0.002 0.000 0.906 1510 E CA -2.474 53.922 56.400 -0.006 0.000 0.781 1510 E CB 2.130 31.823 29.700 -0.012 0.000 1.261 1510 E HN 0.494 nan 8.360 nan 0.000 0.436 1511 P HA -0.032 nan 4.420 nan 0.000 0.269 1511 P C 0.336 177.637 177.300 0.001 0.000 1.209 1511 P CA -0.410 62.691 63.100 0.002 0.000 0.776 1511 P CB 0.523 32.225 31.700 0.002 0.000 0.876 1512 L N 3.404 124.630 121.223 0.004 0.000 2.093 1512 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 1512 L C 2.202 179.076 176.870 0.006 0.000 1.085 1512 L CA 1.714 56.557 54.840 0.005 0.000 0.755 1512 L CB -0.628 41.436 42.059 0.008 0.000 0.904 1512 L HN 0.268 nan 8.230 nan 0.000 0.435 1513 R N -1.442 119.061 120.500 0.005 0.000 2.127 1513 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 1513 R C 2.103 178.405 176.300 0.004 0.000 1.134 1513 R CA 1.415 57.518 56.100 0.005 0.000 0.975 1513 R CB -0.597 29.706 30.300 0.005 0.000 0.865 1513 R HN 0.293 nan 8.270 nan 0.000 0.447 1514 V N 1.361 121.276 119.914 0.002 0.000 2.255 1514 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 1514 V C 2.289 178.382 176.094 -0.001 0.000 1.051 1514 V CA 1.710 64.010 62.300 -0.001 0.000 1.018 1514 V CB -0.332 31.489 31.823 -0.004 0.000 0.641 1514 V HN 0.221 nan 8.190 nan 0.000 0.445 1515 K N -0.263 120.137 120.400 -0.001 0.000 2.103 1515 K HA -0.060 4.259 4.320 -0.000 0.000 0.204 1515 K C 2.233 178.838 176.600 0.008 0.000 1.052 1515 K CA 1.567 57.854 56.287 -0.001 0.000 0.945 1515 K CB -0.704 31.795 32.500 -0.002 0.000 0.722 1515 K HN 0.501 nan 8.250 nan 0.000 0.443 1516 T N 1.342 115.903 114.554 0.011 0.000 2.737 1516 T HA -0.154 4.196 4.350 -0.000 0.000 0.265 1516 T C 1.928 176.638 174.700 0.017 0.000 1.038 1516 T CA 1.434 63.544 62.100 0.017 0.000 1.144 1516 T CB -0.074 68.803 68.868 0.015 0.000 0.866 1516 T HN 0.157 nan 8.240 nan 0.000 0.434 1517 Q N 1.315 121.122 119.800 0.012 0.000 2.079 1517 Q HA 0.119 4.459 4.340 -0.000 0.000 0.200 1517 Q C 2.312 178.319 176.000 0.012 0.000 0.974 1517 Q CA 1.665 57.475 55.803 0.012 0.000 0.840 1517 Q CB -0.741 28.002 28.738 0.008 0.000 0.898 1517 Q HN 0.471 nan 8.270 nan 0.000 0.430 1518 A N 0.402 123.227 122.820 0.008 0.000 1.892 1518 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 1518 A C 2.145 179.735 177.584 0.010 0.000 1.188 1518 A CA 1.781 53.820 52.037 0.003 0.000 0.631 1518 A CB -0.878 18.119 19.000 -0.005 0.000 0.822 1518 A HN 0.489 nan 8.150 nan 0.000 0.447 1519 I N -1.086 119.496 120.570 0.020 0.000 2.202 1519 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 1519 I C 2.783 178.932 176.117 0.052 0.000 1.091 1519 I CA 1.776 63.102 61.300 0.043 0.000 1.368 1519 I CB -0.347 37.694 38.000 0.067 0.000 1.058 1519 I HN 0.439 nan 8.210 nan 0.000 0.410 1520 Q N 1.101 120.924 119.800 0.039 0.000 1.975 1520 Q HA -0.191 4.149 4.340 -0.000 0.000 0.205 1520 Q C 2.295 178.315 176.000 0.034 0.000 0.990 1520 Q CA 2.630 58.454 55.803 0.036 0.000 0.845 1520 Q CB -0.375 28.378 28.738 0.025 0.000 0.913 1520 Q HN 0.327 nan 8.270 nan 0.000 0.420 1521 S N 0.192 115.907 115.700 0.025 0.000 2.383 1521 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 1521 S C 1.897 176.512 174.600 0.024 0.000 1.030 1521 S CA 0.987 59.200 58.200 0.021 0.000 1.002 1521 S CB -0.666 62.543 63.200 0.014 0.000 0.829 1521 S HN 0.587 nan 8.310 nan 0.000 0.467 1522 A N 1.547 124.381 122.820 0.024 0.000 1.877 1522 A HA 0.100 4.420 4.320 -0.000 0.000 0.216 1522 A C 2.362 179.971 177.584 0.041 0.000 1.186 1522 A CA 1.725 53.775 52.037 0.021 0.000 0.620 1522 A CB -1.079 17.924 19.000 0.005 0.000 0.822 1522 A HN 0.524 nan 8.150 nan 0.000 0.443 1523 A N -0.319 122.539 122.820 0.065 0.000 1.930 1523 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 1523 A C 1.885 179.518 177.584 0.081 0.000 1.175 1523 A CA 1.512 53.608 52.037 0.099 0.000 0.627 1523 A CB -0.502 18.572 19.000 0.123 0.000 0.815 1523 A HN 0.625 nan 8.150 nan 0.000 0.443 1524 E N 0.054 120.289 120.200 0.058 0.000 2.153 1524 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 1524 E C 2.164 178.791 176.600 0.044 0.000 0.988 1524 E CA 1.241 57.669 56.400 0.047 0.000 0.811 1524 E CB -0.093 29.627 29.700 0.034 0.000 0.746 1524 E HN 0.605 nan 8.360 nan 0.000 0.466 1525 S N 0.182 115.907 115.700 0.041 0.000 2.377 1525 S HA -0.084 4.386 4.470 -0.000 0.000 0.223 1525 S C 2.107 176.735 174.600 0.047 0.000 1.030 1525 S CA 1.146 59.368 58.200 0.036 0.000 0.970 1525 S CB -0.159 63.057 63.200 0.027 0.000 0.830 1525 S HN 0.255 nan 8.310 nan 0.000 0.473 1526 T N 1.976 116.567 114.554 0.063 0.000 2.788 1526 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 1526 T C 1.786 176.545 174.700 0.098 0.000 1.044 1526 T CA 1.049 63.202 62.100 0.087 0.000 1.139 1526 T CB -0.236 68.704 68.868 0.121 0.000 0.867 1526 T HN 0.329 nan 8.240 nan 0.000 0.454 1527 E N 1.015 121.271 120.200 0.093 0.000 2.150 1527 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 1527 E C 2.155 178.788 176.600 0.055 0.000 0.985 1527 E CA 0.709 57.157 56.400 0.080 0.000 0.814 1527 E CB -0.258 29.484 29.700 0.070 0.000 0.752 1527 E HN 0.341 nan 8.360 nan 0.000 0.466 1528 M N 0.653 120.281 119.600 0.047 0.000 2.117 1528 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 1528 M C 2.143 178.464 176.300 0.035 0.000 1.065 1528 M CA 1.179 56.501 55.300 0.036 0.000 1.114 1528 M CB -0.491 32.127 32.600 0.031 0.000 1.361 1528 M HN 0.127 nan 8.290 nan 0.000 0.408 1529 L N -0.108 121.139 121.223 0.040 0.000 2.056 1529 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 1529 L C 2.463 179.356 176.870 0.037 0.000 1.078 1529 L CA 0.852 55.714 54.840 0.036 0.000 0.749 1529 L CB -0.747 41.335 42.059 0.039 0.000 0.901 1529 L HN 0.294 nan 8.230 nan 0.000 0.433 1530 L N -0.378 120.873 121.223 0.048 0.000 2.191 1530 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 1530 L C 2.770 179.659 176.870 0.031 0.000 1.103 1530 L CA 0.989 55.854 54.840 0.041 0.000 0.769 1530 L CB -0.426 41.664 42.059 0.052 0.000 0.908 1530 L HN 0.261 nan 8.230 nan 0.000 0.438 1531 R N 0.570 121.090 120.500 0.033 0.000 2.148 1531 R HA -0.013 4.327 4.340 -0.000 0.000 0.223 1531 R C 0.768 177.084 176.300 0.026 0.000 1.088 1531 R CA 0.312 56.430 56.100 0.030 0.000 0.985 1531 R CB -0.010 30.307 30.300 0.028 0.000 0.880 1531 R HN 0.228 nan 8.270 nan 0.000 0.451 1532 I N 2.166 122.751 120.570 0.024 0.000 2.517 1532 I HA -0.055 4.115 4.170 -0.000 0.000 0.285 1532 I C 0.000 176.128 176.117 0.018 0.000 1.106 1532 I CA 0.478 61.791 61.300 0.021 0.000 1.402 1532 I CB 0.962 38.975 38.000 0.021 0.000 1.399 1532 I HN 0.101 nan 8.210 nan 0.000 0.535 1533 D N 4.169 124.579 120.400 0.017 0.000 2.535 1533 D HA 0.146 4.786 4.640 -0.000 0.000 0.229 1533 D C -0.498 175.810 176.300 0.013 0.000 1.238 1533 D CA 0.244 54.251 54.000 0.011 0.000 0.824 1533 D CB 0.684 41.490 40.800 0.010 0.000 1.045 1533 D HN 0.466 nan 8.370 nan 0.000 0.500 1534 D N 0.475 120.886 120.400 0.018 0.000 2.931 1534 D HA 0.184 4.824 4.640 -0.000 0.000 0.215 1534 D C -1.445 174.872 176.300 0.027 0.000 1.297 1534 D CA -0.421 53.593 54.000 0.023 0.000 0.892 1534 D CB 2.064 42.876 40.800 0.020 0.000 1.642 1534 D HN -0.322 nan 8.370 nan 0.000 0.560 1535 V N 5.012 124.947 119.914 0.036 0.000 2.443 1535 V HA 0.516 4.636 4.120 -0.000 0.000 0.293 1535 V C 0.028 176.156 176.094 0.057 0.000 1.021 1535 V CA -0.568 61.758 62.300 0.042 0.000 0.848 1535 V CB 1.586 33.434 31.823 0.041 0.000 0.998 1535 V HN 0.519 nan 8.190 nan 0.000 0.424 1536 I N 4.539 125.139 120.570 0.049 0.000 2.437 1536 I HA 0.668 4.838 4.170 -0.000 0.000 0.279 1536 I C 0.223 176.370 176.117 0.050 0.000 1.028 1536 I CA -0.402 60.929 61.300 0.052 0.000 1.142 1536 I CB 1.608 39.629 38.000 0.035 0.000 1.266 1536 I HN 0.660 nan 8.210 nan 0.000 0.461 1537 A N 5.146 128.008 122.820 0.070 0.000 2.287 1537 A HA 0.859 5.179 4.320 -0.000 0.000 0.317 1537 A C 0.298 177.910 177.584 0.048 0.000 1.220 1537 A CA -0.437 51.632 52.037 0.053 0.000 0.835 1537 A CB 0.963 19.994 19.000 0.053 0.000 1.180 1537 A HN 0.744 nan 8.150 nan 0.000 0.500 1538 A N 1.983 124.817 122.820 0.023 0.000 2.429 1538 A HA 0.468 4.788 4.320 -0.000 0.000 0.242 1538 A C 0.615 178.200 177.584 0.002 0.000 1.088 1538 A CA 0.176 52.220 52.037 0.012 0.000 0.784 1538 A CB -0.020 18.983 19.000 0.005 0.000 1.038 1538 A HN 0.946 nan 8.150 nan 0.000 0.501 1539 E N 0.000 120.198 120.200 -0.003 0.000 2.725 1539 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 1539 E CA 0.000 56.392 56.400 -0.014 0.000 0.976 1539 E CB 0.000 29.693 29.700 -0.011 0.000 0.812 1539 E HN 0.000 nan 8.360 nan 0.000 0.440