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 3kq4_1_B DATA FIRST_RESID 932 DATA SEQUENCE cGEILTESTG TIQSPGHPNV YPHGINcTWH ILVQPNHLIH LMFETFHLEF DATA SEQUENCE HYNcTNDYLE VYDTDSETSL GRYcGKSIPP SLTSSGNSLM LVFVTDSDLA DATA SEQUENCE YEGFLINYEA ISAATAcLQD YTDDLGTFTS PNFPNNYPNN WEcIYRITVR DATA SEQUENCE TGQLIAVHFT NFSLEEAIGN YYTDFLEIRD GGYEKSPLLG IFYGSNLPPT DATA SEQUENCE IISHSNKLWL KFKSDQIDTR SGFSAYWDGS STGcGGNLTT SSGTFISPNY DATA SEQUENCE PMPYYHSSEc YWWLKSSHGS AFELEFKDFH LEHHPNcTLD YLAVYDGPSS DATA SEQUENCE NSHLLTQLcG DEKPPLIRSS GDSMFIKLRT DEGQQGRGFK AEYRQTcENV DATA SEQUENCE VIVNQTYGIL ESIGYPNPYS ENQHcNWTIR ATTGNTVNYT FLAFDLEHHI DATA SEQUENCE NcSTDYLELY DGPRQMGRYc GVDLPPPGST TSSKLQVLLL TDGVGRREKG DATA SEQUENCE FQMQWFV 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 932 c HA 0.000 nan 4.570 nan 0.000 0.325 932 c C 0.000 173.934 174.090 -0.260 0.000 1.270 932 c CA 0.000 56.244 56.329 -0.142 0.000 1.963 932 c CB 0.000 42.444 42.510 -0.109 0.000 2.134 933 G N 1.329 109.865 108.800 -0.441 0.000 2.697 933 G HA2 0.491 4.452 3.960 0.002 0.000 0.686 933 G HA3 0.491 4.452 3.960 0.002 0.000 0.686 933 G C -1.217 173.441 174.900 -0.404 0.000 1.179 933 G CA 0.303 44.979 45.100 -0.707 0.000 0.765 933 G HN 2.021 nan 8.290 nan 0.000 0.649 934 E N -0.330 119.632 120.200 -0.397 0.000 2.413 934 E HA 0.708 5.059 4.350 0.002 0.000 0.277 934 E C -0.391 176.269 176.600 0.101 0.000 0.958 934 E CA -1.210 55.161 56.400 -0.048 0.000 0.779 934 E CB 2.348 32.099 29.700 0.085 0.000 1.278 934 E HN 1.626 nan 8.360 nan 0.000 0.456 935 I N -0.281 120.353 120.570 0.106 0.000 2.441 935 I HA 0.546 4.717 4.170 0.002 0.000 0.295 935 I C -1.588 174.603 176.117 0.123 0.000 0.994 935 I CA -1.050 60.334 61.300 0.141 0.000 1.144 935 I CB 1.197 39.256 38.000 0.098 0.000 1.314 935 I HN 0.502 nan 8.210 nan 0.000 0.445 936 L N 5.855 127.150 121.223 0.120 0.000 2.322 936 L HA 0.526 4.867 4.340 0.002 0.000 0.281 936 L C 0.716 177.641 176.870 0.092 0.000 1.014 936 L CA -0.193 54.712 54.840 0.109 0.000 0.815 936 L CB 2.124 44.242 42.059 0.098 0.000 1.247 936 L HN 0.850 nan 8.230 nan 0.000 0.421 937 T N -1.230 113.384 114.554 0.101 0.000 3.038 937 T HA 0.062 4.413 4.350 0.002 0.000 0.244 937 T C 0.647 175.410 174.700 0.105 0.000 1.016 937 T CA -0.281 61.868 62.100 0.082 0.000 1.098 937 T CB 0.074 68.976 68.868 0.056 0.000 0.954 937 T HN 0.472 nan 8.240 nan 0.000 0.469 938 E N 1.638 121.912 120.200 0.125 0.000 2.492 938 E HA 0.005 4.356 4.350 0.002 0.000 0.266 938 E C 0.675 177.352 176.600 0.127 0.000 1.047 938 E CA 0.080 56.541 56.400 0.100 0.000 0.968 938 E CB 0.460 30.210 29.700 0.083 0.000 0.960 938 E HN 0.240 nan 8.360 nan 0.000 0.452 939 S N 1.085 116.805 115.700 0.033 0.000 2.436 939 S HA -0.018 4.453 4.470 0.002 0.000 0.228 939 S C 0.268 174.781 174.600 -0.144 0.000 1.014 939 S CA 0.741 58.948 58.200 0.011 0.000 0.950 939 S CB 0.285 63.474 63.200 -0.018 0.000 0.784 939 S HN 0.538 nan 8.310 nan 0.000 0.504 940 T N 0.428 114.824 114.554 -0.264 0.000 2.906 940 T HA 0.745 5.096 4.350 0.002 0.000 0.295 940 T C -0.025 174.338 174.700 -0.562 0.000 1.061 940 T CA -0.472 61.292 62.100 -0.560 0.000 1.000 940 T CB 2.110 70.797 68.868 -0.303 0.000 1.103 940 T HN 0.383 nan 8.240 nan 0.000 0.486 941 G N 0.542 108.870 108.800 -0.785 0.000 2.430 941 G HA2 0.603 4.564 3.960 0.002 0.000 0.300 941 G HA3 0.603 4.564 3.960 0.002 0.000 0.300 941 G C -1.355 173.472 174.900 -0.121 0.000 1.330 941 G CA -0.705 44.260 45.100 -0.226 0.000 0.813 941 G HN 0.833 nan 8.290 nan 0.000 0.487 942 T N -0.659 113.918 114.554 0.038 0.000 2.888 942 T HA 0.766 5.117 4.350 0.002 0.000 0.288 942 T C -0.660 174.054 174.700 0.024 0.000 1.063 942 T CA -0.594 61.511 62.100 0.009 0.000 1.010 942 T CB 2.068 70.922 68.868 -0.024 0.000 1.214 942 T HN 0.525 nan 8.240 nan 0.000 0.533 943 I N 1.791 122.315 120.570 -0.076 0.000 2.497 943 I HA 0.225 4.396 4.170 0.002 0.000 0.284 943 I C -0.836 175.234 176.117 -0.078 0.000 1.060 943 I CA -0.775 60.421 61.300 -0.173 0.000 1.071 943 I CB 1.922 39.638 38.000 -0.475 0.000 1.216 943 I HN 0.366 nan 8.210 nan 0.000 0.442 944 Q N 3.965 123.798 119.800 0.055 0.000 2.303 944 Q HA 0.234 4.575 4.340 0.002 0.000 0.257 944 Q C 0.165 176.245 176.000 0.134 0.000 0.941 944 Q CA -0.186 55.672 55.803 0.093 0.000 0.931 944 Q CB 2.052 30.878 28.738 0.147 0.000 1.215 944 Q HN 0.718 nan 8.270 nan 0.000 0.437 945 S N 3.812 119.418 115.700 -0.155 0.000 2.546 945 S HA 0.054 4.525 4.470 0.002 0.000 0.290 945 S C -1.562 173.093 174.600 0.090 0.000 1.290 945 S CA -0.777 57.223 58.200 -0.333 0.000 1.069 945 S CB 0.609 63.302 63.200 -0.845 0.000 0.846 945 S HN 0.317 nan 8.310 nan 0.000 0.495 946 P HA -0.077 nan 4.420 nan 0.000 0.214 946 P C 1.705 179.102 177.300 0.162 0.000 1.169 946 P CA 1.914 65.138 63.100 0.207 0.000 0.908 946 P CB -0.452 31.371 31.700 0.205 0.000 0.791 947 G N -1.760 107.142 108.800 0.169 0.000 2.422 947 G HA2 -0.231 3.730 3.960 0.002 0.000 0.218 947 G HA3 -0.231 3.730 3.960 0.002 0.000 0.218 947 G C 0.448 175.419 174.900 0.118 0.000 1.146 947 G CA 0.406 45.582 45.100 0.127 0.000 0.769 947 G HN 0.338 nan 8.290 nan 0.000 0.547 948 H N 1.433 120.527 119.070 0.040 0.000 3.163 948 H HA 0.060 4.616 4.556 0.002 0.000 0.321 948 H C -1.285 174.067 175.328 0.040 0.000 1.006 948 H CA -0.391 55.675 56.048 0.030 0.000 1.344 948 H CB 1.059 30.824 29.762 0.005 0.000 1.272 948 H HN -0.007 nan 8.280 nan 0.000 0.594 949 P HA -0.011 nan 4.420 nan 0.000 0.239 949 P C -1.011 176.013 177.300 -0.459 0.000 1.184 949 P CA 0.954 63.594 63.100 -0.767 0.000 0.760 949 P CB 0.075 31.553 31.700 -0.369 0.000 0.884 950 N N -2.283 116.315 118.700 -0.171 0.000 5.360 950 N HA 0.110 4.851 4.740 0.002 0.000 0.154 950 N C -1.130 174.357 175.510 -0.039 0.000 1.009 950 N CA -0.566 52.439 53.050 -0.075 0.000 1.167 950 N CB 0.194 38.630 38.487 -0.086 0.000 1.517 950 N HN -0.171 nan 8.380 nan 0.000 0.911 951 V N -0.441 119.449 119.914 -0.039 0.000 3.166 951 V HA 0.829 4.949 4.120 0.002 0.000 0.317 951 V C -0.066 176.026 176.094 -0.003 0.000 1.136 951 V CA -1.039 61.248 62.300 -0.022 0.000 1.035 951 V CB 1.145 32.881 31.823 -0.144 0.000 1.110 951 V HN 0.648 nan 8.190 nan 0.000 0.450 952 Y N -0.380 119.883 120.300 -0.062 0.000 2.304 952 Y HA 0.813 5.364 4.550 0.002 0.000 0.327 952 Y C -2.548 173.258 175.900 -0.156 0.000 1.209 952 Y CA -2.799 55.274 58.100 -0.045 0.000 1.299 952 Y CB -0.270 38.222 38.460 0.054 0.000 1.249 952 Y HN 0.423 nan 8.280 nan 0.000 0.519 953 P HA 0.067 nan 4.420 nan 0.000 0.271 953 P C -0.876 176.328 177.300 -0.160 0.000 1.218 953 P CA 0.039 63.075 63.100 -0.107 0.000 0.780 953 P CB 0.390 32.110 31.700 0.033 0.000 0.901 954 H N 0.836 119.817 119.070 -0.147 0.000 2.562 954 H HA 0.348 4.905 4.556 0.002 0.000 0.352 954 H C 1.217 176.490 175.328 -0.092 0.000 1.125 954 H CA -0.273 55.700 56.048 -0.126 0.000 1.379 954 H CB 0.391 30.070 29.762 -0.138 0.000 1.464 954 H HN 0.801 nan 8.280 nan 0.000 0.563 955 G N 2.305 111.118 108.800 0.020 0.000 2.171 955 G HA2 -0.219 3.742 3.960 0.002 0.000 0.238 955 G HA3 -0.219 3.742 3.960 0.002 0.000 0.238 955 G C 0.051 174.903 174.900 -0.080 0.000 1.039 955 G CA -0.285 44.795 45.100 -0.034 0.000 0.759 955 G HN 0.429 nan 8.290 nan 0.000 0.501 956 I N -0.408 120.074 120.570 -0.146 0.000 2.886 956 I HA 0.387 4.558 4.170 0.002 0.000 0.299 956 I C 0.920 176.921 176.117 -0.192 0.000 1.044 956 I CA -0.609 60.584 61.300 -0.179 0.000 1.310 956 I CB 1.357 39.199 38.000 -0.263 0.000 1.441 956 I HN 0.103 nan 8.210 nan 0.000 0.578 957 N N 0.991 119.606 118.700 -0.142 0.000 2.301 957 N HA 0.078 4.818 4.740 0.002 0.000 0.247 957 N C -0.627 174.836 175.510 -0.078 0.000 1.347 957 N CA -0.225 52.765 53.050 -0.100 0.000 0.844 957 N CB 0.273 38.719 38.487 -0.069 0.000 1.332 957 N HN 0.571 nan 8.380 nan 0.000 0.494 958 c N 0.340 118.883 118.600 -0.096 0.000 2.676 958 c HA 0.565 5.135 4.570 0.002 0.000 0.416 958 c C 0.439 174.468 174.090 -0.101 0.000 1.299 958 c CA 0.768 57.008 56.329 -0.148 0.000 2.048 958 c CB -0.332 42.083 42.510 -0.159 0.000 2.713 958 c HN 0.400 nan 8.230 nan 0.000 0.624 959 T N 4.902 119.300 114.554 -0.260 0.000 2.993 959 T HA 0.449 4.799 4.350 0.002 0.000 0.312 959 T C -1.181 173.414 174.700 -0.175 0.000 1.115 959 T CA -0.270 61.795 62.100 -0.058 0.000 1.027 959 T CB 0.695 69.611 68.868 0.080 0.000 1.116 959 T HN 0.752 nan 8.240 nan 0.000 0.464 960 W N 1.918 123.291 121.300 0.122 0.000 2.647 960 W HA 0.516 5.177 4.660 0.002 0.000 0.353 960 W C -0.034 176.506 176.519 0.035 0.000 1.080 960 W CA -0.557 56.842 57.345 0.090 0.000 1.208 960 W CB 1.323 30.807 29.460 0.040 0.000 1.396 960 W HN 0.504 nan 8.180 nan 0.000 0.573 961 H N 2.493 121.701 119.070 0.230 0.000 3.018 961 H HA 0.233 4.790 4.556 0.002 0.000 0.334 961 H C -1.303 174.053 175.328 0.048 0.000 0.983 961 H CA -0.668 55.446 56.048 0.111 0.000 1.363 961 H CB 2.682 32.488 29.762 0.073 0.000 1.668 961 H HN 0.181 nan 8.280 nan 0.000 0.513 962 I N 5.481 126.064 120.570 0.021 0.000 2.355 962 I HA 0.248 4.419 4.170 0.002 0.000 0.288 962 I C -1.549 174.547 176.117 -0.035 0.000 0.999 962 I CA -0.672 60.569 61.300 -0.098 0.000 1.163 962 I CB 0.797 38.552 38.000 -0.408 0.000 1.316 962 I HN 0.370 nan 8.210 nan 0.000 0.454 963 L N 9.197 130.426 121.223 0.010 0.000 2.381 963 L HA 0.839 5.180 4.340 0.002 0.000 0.274 963 L C -1.469 175.427 176.870 0.043 0.000 0.988 963 L CA -0.501 54.362 54.840 0.038 0.000 0.824 963 L CB 1.624 43.718 42.059 0.058 0.000 1.263 963 L HN 0.476 nan 8.230 nan 0.000 0.410 964 V N 4.908 124.848 119.914 0.044 0.000 3.130 964 V HA 0.540 4.661 4.120 0.002 0.000 0.310 964 V C -0.583 175.513 176.094 0.003 0.000 1.158 964 V CA -0.402 61.924 62.300 0.044 0.000 1.029 964 V CB 2.198 34.078 31.823 0.095 0.000 1.057 964 V HN 1.105 nan 8.190 nan 0.000 0.436 965 Q N 4.071 123.828 119.800 -0.071 0.000 2.523 965 Q HA 0.251 4.592 4.340 0.002 0.000 0.283 965 Q C -2.344 173.615 176.000 -0.069 0.000 1.140 965 Q CA -0.552 55.175 55.803 -0.126 0.000 0.981 965 Q CB -0.154 28.417 28.738 -0.278 0.000 1.310 965 Q HN 0.594 nan 8.270 nan 0.000 0.483 966 P HA -0.006 nan 4.420 nan 0.000 0.279 966 P C -0.849 176.552 177.300 0.167 0.000 1.282 966 P CA 0.009 63.145 63.100 0.060 0.000 0.788 966 P CB 0.288 32.013 31.700 0.042 0.000 1.139 967 N N -3.033 115.755 118.700 0.147 0.000 2.681 967 N HA -0.267 4.474 4.740 0.002 0.000 0.250 967 N C -0.770 174.863 175.510 0.205 0.000 1.133 967 N CA 1.191 54.335 53.050 0.158 0.000 0.732 967 N CB -2.192 36.387 38.487 0.154 0.000 1.107 967 N HN 0.569 nan 8.380 nan 0.000 0.559 968 H N -1.171 117.903 119.070 0.008 0.000 2.941 968 H HA 0.831 5.388 4.556 0.002 0.000 0.344 968 H C -0.521 174.811 175.328 0.006 0.000 1.235 968 H CA -0.499 55.553 56.048 0.006 0.000 1.149 968 H CB 1.025 30.796 29.762 0.014 0.000 1.885 968 H HN 0.047 nan 8.280 nan 0.000 0.558 969 L N 0.827 122.123 121.223 0.121 0.000 2.350 969 L HA 0.500 4.841 4.340 0.002 0.000 0.260 969 L C -0.841 176.085 176.870 0.093 0.000 1.015 969 L CA -0.472 54.406 54.840 0.063 0.000 0.821 969 L CB 1.720 43.779 42.059 -0.002 0.000 1.370 969 L HN 0.483 nan 8.230 nan 0.000 0.416 970 I N 1.086 121.698 120.570 0.071 0.000 2.336 970 I HA 0.325 4.495 4.170 0.002 0.000 0.292 970 I C -0.236 175.946 176.117 0.109 0.000 0.991 970 I CA -0.303 61.053 61.300 0.092 0.000 1.227 970 I CB 1.004 39.014 38.000 0.017 0.000 1.366 970 I HN 0.463 nan 8.210 nan 0.000 0.466 971 H N 7.306 126.383 119.070 0.012 0.000 2.541 971 H HA 0.500 5.057 4.556 0.002 0.000 0.316 971 H C -1.340 173.948 175.328 -0.068 0.000 1.043 971 H CA -0.873 55.152 56.048 -0.039 0.000 1.232 971 H CB 1.116 30.852 29.762 -0.043 0.000 1.406 971 H HN 0.515 nan 8.280 nan 0.000 0.469 972 L N 6.636 127.646 121.223 -0.355 0.000 2.257 972 L HA 0.219 4.560 4.340 0.002 0.000 0.290 972 L C 0.411 176.820 176.870 -0.768 0.000 1.044 972 L CA -0.666 53.827 54.840 -0.577 0.000 0.810 972 L CB 1.134 42.826 42.059 -0.611 0.000 1.193 972 L HN 0.537 nan 8.230 nan 0.000 0.425 973 M N 2.169 121.320 119.600 -0.749 0.000 2.116 973 M HA 0.416 4.897 4.480 0.002 0.000 0.235 973 M C -0.569 175.324 176.300 -0.679 0.000 1.193 973 M CA -0.174 54.799 55.300 -0.545 0.000 0.959 973 M CB 0.327 32.704 32.600 -0.371 0.000 1.313 973 M HN 0.310 nan 8.290 nan 0.000 0.530 974 F N 0.152 119.938 119.950 -0.273 0.000 2.806 974 F HA 0.199 4.727 4.527 0.001 0.000 0.394 974 F C 0.929 176.611 175.800 -0.196 0.000 1.352 974 F CA -0.535 57.289 58.000 -0.292 0.000 1.122 974 F CB 0.165 38.928 39.000 -0.395 0.000 2.253 974 F HN 0.550 nan 8.300 nan 0.000 0.553 975 E N -0.096 120.108 120.200 0.006 0.000 2.055 975 E HA -0.152 4.199 4.350 0.002 0.000 0.209 975 E C 0.416 177.053 176.600 0.062 0.000 1.036 975 E CA 1.688 58.099 56.400 0.018 0.000 0.849 975 E CB -0.177 29.530 29.700 0.011 0.000 0.767 975 E HN 0.364 nan 8.360 nan 0.000 0.461 976 T N -0.869 113.753 114.554 0.114 0.000 2.916 976 T HA 0.562 4.913 4.350 0.002 0.000 0.292 976 T C -0.841 174.033 174.700 0.290 0.000 1.055 976 T CA -0.642 61.561 62.100 0.173 0.000 1.009 976 T CB 1.911 70.920 68.868 0.235 0.000 1.118 976 T HN 0.143 nan 8.240 nan 0.000 0.497 977 F N 1.716 121.686 119.950 0.035 0.000 3.764 977 F HA 0.288 4.816 4.527 0.002 0.000 0.411 977 F C -1.189 174.594 175.800 -0.029 0.000 1.073 977 F CA -0.467 57.535 58.000 0.003 0.000 1.540 977 F CB 0.436 39.311 39.000 -0.208 0.000 2.372 977 F HN 0.757 nan 8.300 nan 0.000 0.816 978 H N 4.698 123.608 119.070 -0.266 0.000 2.472 978 H HA 0.896 5.452 4.556 0.002 0.000 0.338 978 H C -1.045 174.034 175.328 -0.415 0.000 1.133 978 H CA -0.343 55.506 56.048 -0.331 0.000 1.216 978 H CB 1.463 31.146 29.762 -0.132 0.000 1.497 978 H HN 0.534 nan 8.280 nan 0.000 0.500 979 L N 2.258 123.359 121.223 -0.204 0.000 2.540 979 L HA 0.221 4.562 4.340 0.002 0.000 0.256 979 L C -0.590 176.416 176.870 0.227 0.000 1.001 979 L CA -1.009 53.868 54.840 0.063 0.000 0.843 979 L CB 2.397 44.371 42.059 -0.141 0.000 1.436 979 L HN 0.718 nan 8.230 nan 0.000 0.410 980 E N 1.605 122.157 120.200 0.586 0.000 2.384 980 E HA 0.135 4.486 4.350 0.002 0.000 0.266 980 E C -1.283 175.558 176.600 0.402 0.000 1.012 980 E CA -0.329 56.408 56.400 0.562 0.000 0.901 980 E CB 1.092 31.112 29.700 0.533 0.000 0.967 980 E HN 0.356 nan 8.360 nan 0.000 0.435 981 F N 4.239 124.318 119.950 0.214 0.000 2.378 981 F HA 0.443 4.971 4.527 0.002 0.000 0.325 981 F C -0.792 175.176 175.800 0.282 0.000 1.097 981 F CA -0.506 57.603 58.000 0.181 0.000 1.079 981 F CB 1.222 40.257 39.000 0.059 0.000 1.240 981 F HN 0.594 nan 8.300 nan 0.000 0.519 982 H N 4.527 123.206 119.070 -0.652 0.000 3.159 982 H HA 0.026 4.583 4.556 0.002 0.000 0.313 982 H C -0.650 174.512 175.328 -0.276 0.000 1.071 982 H CA -0.534 55.219 56.048 -0.492 0.000 1.451 982 H CB 0.816 30.522 29.762 -0.092 0.000 2.075 982 H HN 0.892 nan 8.280 nan 0.000 0.443 983 Y N 5.239 125.343 120.300 -0.327 0.000 2.070 983 Y HA -0.258 4.293 4.550 0.002 0.000 0.280 983 Y C 2.132 178.074 175.900 0.070 0.000 1.148 983 Y CA 2.654 60.746 58.100 -0.014 0.000 1.125 983 Y CB -0.050 38.398 38.460 -0.020 0.000 0.975 983 Y HN 0.707 nan 8.280 nan 0.000 0.492 984 N N -0.278 118.504 118.700 0.138 0.000 2.520 984 N HA -0.180 4.561 4.740 0.002 0.000 0.185 984 N C 0.071 175.577 175.510 -0.007 0.000 1.068 984 N CA 0.985 54.052 53.050 0.029 0.000 0.911 984 N CB -0.215 38.362 38.487 0.150 0.000 0.961 984 N HN 0.489 nan 8.380 nan 0.000 0.446 985 c N 0.247 118.906 118.600 0.098 0.000 4.533 985 c HA -0.120 4.451 4.570 0.002 0.000 0.304 985 c C 1.397 175.472 174.090 -0.026 0.000 1.316 985 c CA 0.541 56.900 56.329 0.050 0.000 2.053 985 c CB -2.604 39.870 42.510 -0.060 0.000 1.242 985 c HN 0.598 nan 8.230 nan 0.000 0.758 986 T N -1.096 113.325 114.554 -0.222 0.000 3.045 986 T HA -0.012 4.339 4.350 0.002 0.000 0.239 986 T C 1.621 176.234 174.700 -0.145 0.000 1.008 986 T CA 1.059 63.037 62.100 -0.204 0.000 1.143 986 T CB -0.045 68.657 68.868 -0.276 0.000 0.894 986 T HN 0.545 nan 8.240 nan 0.000 0.451 987 N N 1.727 120.109 118.700 -0.531 0.000 2.038 987 N HA -0.001 4.740 4.740 0.002 0.000 0.192 987 N C 0.351 175.859 175.510 -0.003 0.000 1.080 987 N CA 1.198 54.147 53.050 -0.168 0.000 0.867 987 N CB -0.497 37.992 38.487 0.003 0.000 1.055 987 N HN 0.343 nan 8.380 nan 0.000 0.430 988 D N -1.241 119.224 120.400 0.109 0.000 2.277 988 D HA 0.447 5.088 4.640 0.002 0.000 0.250 988 D C -0.824 175.627 176.300 0.253 0.000 1.032 988 D CA -0.058 54.019 54.000 0.130 0.000 0.947 988 D CB 0.893 41.861 40.800 0.279 0.000 1.159 988 D HN 0.297 nan 8.370 nan 0.000 0.460 989 Y N -0.371 120.081 120.300 0.255 0.000 2.927 989 Y HA 0.390 4.941 4.550 0.002 0.000 0.392 989 Y C -2.594 173.570 175.900 0.441 0.000 1.159 989 Y CA -1.324 56.950 58.100 0.290 0.000 1.220 989 Y CB 0.454 39.017 38.460 0.172 0.000 1.506 989 Y HN 0.386 nan 8.280 nan 0.000 0.481 990 L N 2.772 124.481 121.223 0.811 0.000 2.438 990 L HA 0.631 4.972 4.340 0.002 0.000 0.270 990 L C -1.268 175.926 176.870 0.539 0.000 0.972 990 L CA -0.474 54.766 54.840 0.667 0.000 0.831 990 L CB 1.877 44.215 42.059 0.466 0.000 1.273 990 L HN 0.959 nan 8.230 nan 0.000 0.405 991 E N 3.732 124.211 120.200 0.465 0.000 2.299 991 E HA 0.614 4.965 4.350 0.002 0.000 0.265 991 E C -1.794 174.961 176.600 0.257 0.000 0.911 991 E CA -0.875 55.708 56.400 0.304 0.000 0.789 991 E CB 2.920 32.726 29.700 0.176 0.000 1.246 991 E HN 0.278 nan 8.360 nan 0.000 0.427 992 V N 3.212 123.256 119.914 0.218 0.000 2.462 992 V HA 0.331 4.451 4.120 0.002 0.000 0.288 992 V C -1.833 174.353 176.094 0.153 0.000 1.020 992 V CA -0.575 61.818 62.300 0.156 0.000 0.857 992 V CB 0.735 32.617 31.823 0.098 0.000 1.013 992 V HN 0.772 nan 8.190 nan 0.000 0.431 993 Y N 4.440 124.756 120.300 0.026 0.000 2.309 993 Y HA 0.479 5.030 4.550 0.002 0.000 0.327 993 Y C 0.534 176.434 175.900 -0.000 0.000 1.172 993 Y CA -0.094 58.015 58.100 0.016 0.000 1.280 993 Y CB 1.436 39.907 38.460 0.018 0.000 1.234 993 Y HN 0.805 nan 8.280 nan 0.000 0.512 994 D N 3.675 123.817 120.400 -0.429 0.000 2.435 994 D HA 0.084 4.725 4.640 0.002 0.000 0.230 994 D C 0.899 177.089 176.300 -0.183 0.000 1.215 994 D CA 0.406 54.248 54.000 -0.264 0.000 0.947 994 D CB 0.654 41.293 40.800 -0.268 0.000 1.048 994 D HN 0.768 nan 8.370 nan 0.000 0.512 995 T N 1.960 116.556 114.554 0.071 0.000 2.624 995 T HA -0.232 4.119 4.350 0.002 0.000 0.268 995 T C 1.273 176.056 174.700 0.137 0.000 1.041 995 T CA 1.392 63.623 62.100 0.217 0.000 1.159 995 T CB -0.164 68.813 68.868 0.183 0.000 0.863 995 T HN 0.425 nan 8.240 nan 0.000 0.434 996 D N 1.005 121.441 120.400 0.060 0.000 2.384 996 D HA -0.004 4.637 4.640 0.002 0.000 0.222 996 D C 0.183 176.499 176.300 0.027 0.000 0.976 996 D CA 0.312 54.340 54.000 0.047 0.000 0.915 996 D CB 0.094 40.911 40.800 0.028 0.000 0.896 996 D HN 0.365 nan 8.370 nan 0.000 0.523 997 S N -0.392 115.302 115.700 -0.009 0.000 2.661 997 S HA 0.365 4.836 4.470 0.002 0.000 0.285 997 S C -0.470 174.093 174.600 -0.061 0.000 1.138 997 S CA -1.068 57.108 58.200 -0.040 0.000 0.855 997 S CB 2.367 65.515 63.200 -0.086 0.000 1.136 997 S HN -0.083 nan 8.310 nan 0.000 0.484 998 E N 1.300 121.488 120.200 -0.021 0.000 2.391 998 E HA 0.535 4.886 4.350 0.002 0.000 0.255 998 E C 0.284 176.792 176.600 -0.154 0.000 1.187 998 E CA 0.141 56.553 56.400 0.019 0.000 0.941 998 E CB -0.039 29.692 29.700 0.051 0.000 1.010 998 E HN 0.740 nan 8.360 nan 0.000 0.458 999 T N -0.276 114.229 114.554 -0.081 0.000 0.541 999 T HA -0.124 4.227 4.350 0.002 0.000 0.774 999 T C -0.232 174.182 174.700 -0.476 0.000 0.992 999 T CA 0.720 62.738 62.100 -0.136 0.000 4.077 999 T CB -0.809 68.002 68.868 -0.096 0.000 2.303 999 T HN 0.676 nan 8.240 nan 0.000 0.398 1000 S N -1.164 114.398 115.700 -0.230 0.000 2.541 1000 S HA 0.621 5.092 4.470 0.002 0.000 0.271 1000 S C 0.806 175.362 174.600 -0.073 0.000 1.133 1000 S CA -0.734 57.347 58.200 -0.199 0.000 0.876 1000 S CB 1.288 64.563 63.200 0.126 0.000 1.105 1000 S HN 0.721 nan 8.310 nan 0.000 0.470 1001 L N 2.735 123.938 121.223 -0.033 0.000 2.275 1001 L HA 0.364 4.705 4.340 0.002 0.000 0.215 1001 L C 1.479 178.395 176.870 0.076 0.000 1.119 1001 L CA 0.864 55.725 54.840 0.034 0.000 0.790 1001 L CB -0.935 41.165 42.059 0.069 0.000 0.919 1001 L HN 0.995 nan 8.230 nan 0.000 0.443 1002 G N -0.320 108.504 108.800 0.040 0.000 2.339 1002 G HA2 0.056 4.017 3.960 0.002 0.000 0.381 1002 G HA3 0.056 4.017 3.960 0.002 0.000 0.381 1002 G C -1.561 173.184 174.900 -0.257 0.000 1.400 1002 G CA -0.925 44.069 45.100 -0.177 0.000 1.002 1002 G HN -0.006 nan 8.290 nan 0.000 0.633 1003 R N -0.523 119.673 120.500 -0.506 0.000 2.532 1003 R HA 0.727 5.068 4.340 0.002 0.000 0.295 1003 R C -1.382 174.586 176.300 -0.554 0.000 0.968 1003 R CA -0.816 55.072 56.100 -0.353 0.000 0.916 1003 R CB 1.054 31.132 30.300 -0.370 0.000 1.124 1003 R HN 0.548 nan 8.270 nan 0.000 0.463 1004 Y N 3.267 123.613 120.300 0.077 0.000 2.322 1004 Y HA 0.281 4.832 4.550 0.002 0.000 0.324 1004 Y C -0.127 175.959 175.900 0.311 0.000 1.027 1004 Y CA -0.765 57.400 58.100 0.108 0.000 1.179 1004 Y CB 1.316 39.736 38.460 -0.066 0.000 1.136 1004 Y HN 0.654 nan 8.280 nan 0.000 0.449 1005 c N 0.018 118.837 118.600 0.366 0.000 2.531 1005 c HA 1.028 5.599 4.570 0.002 0.000 0.369 1005 c C 1.110 175.379 174.090 0.299 0.000 1.258 1005 c CA -0.105 56.436 56.329 0.354 0.000 1.876 1005 c CB 0.944 43.659 42.510 0.340 0.000 2.256 1005 c HN 1.273 nan 8.230 nan 0.000 0.510 1006 G N 1.262 110.181 108.800 0.197 0.000 2.498 1006 G HA2 -0.140 3.821 3.960 0.002 0.000 0.251 1006 G HA3 -0.140 3.821 3.960 0.002 0.000 0.251 1006 G C 0.282 175.101 174.900 -0.136 0.000 1.170 1006 G CA 0.405 45.525 45.100 0.034 0.000 0.944 1006 G HN 0.842 nan 8.290 nan 0.000 0.567 1007 K N 0.669 120.953 120.400 -0.194 0.000 2.367 1007 K HA 0.248 4.569 4.320 0.002 0.000 0.195 1007 K C 1.362 177.915 176.600 -0.078 0.000 1.060 1007 K CA 0.950 57.126 56.287 -0.186 0.000 1.022 1007 K CB 0.545 32.856 32.500 -0.315 0.000 0.894 1007 K HN 0.785 nan 8.250 nan 0.000 0.540 1008 S N 1.515 117.149 115.700 -0.110 0.000 2.528 1008 S HA 0.506 4.977 4.470 0.002 0.000 0.277 1008 S C -0.042 174.403 174.600 -0.259 0.000 1.297 1008 S CA -0.667 57.400 58.200 -0.222 0.000 1.052 1008 S CB 0.734 63.818 63.200 -0.194 0.000 0.917 1008 S HN 0.244 nan 8.310 nan 0.000 0.492 1009 I N 1.879 122.123 120.570 -0.543 0.000 2.776 1009 I HA 0.237 4.408 4.170 0.002 0.000 0.281 1009 I C -3.015 172.583 176.117 -0.864 0.000 1.620 1009 I CA -0.972 59.770 61.300 -0.929 0.000 1.172 1009 I CB 1.158 38.131 38.000 -1.712 0.000 1.593 1009 I HN 0.441 nan 8.210 nan 0.000 0.418 1010 P HA 0.132 nan 4.420 nan 0.000 0.260 1010 P C -2.119 175.002 177.300 -0.300 0.000 1.172 1010 P CA -0.598 62.233 63.100 -0.449 0.000 0.760 1010 P CB 0.091 31.761 31.700 -0.049 0.000 0.773 1011 P HA -0.130 nan 4.420 nan 0.000 0.218 1011 P C -0.078 177.245 177.300 0.038 0.000 1.146 1011 P CA 1.597 64.628 63.100 -0.114 0.000 0.820 1011 P CB 0.293 31.908 31.700 -0.142 0.000 0.778 1012 S N -1.145 114.590 115.700 0.058 0.000 2.536 1012 S HA 0.604 5.075 4.470 0.002 0.000 0.287 1012 S C -0.713 173.954 174.600 0.111 0.000 1.101 1012 S CA -0.617 57.648 58.200 0.108 0.000 0.950 1012 S CB 1.179 64.537 63.200 0.262 0.000 1.056 1012 S HN -0.151 nan 8.310 nan 0.000 0.481 1013 L N 1.598 122.867 121.223 0.078 0.000 2.376 1013 L HA 0.732 5.073 4.340 0.002 0.000 0.258 1013 L C -0.880 176.050 176.870 0.099 0.000 1.013 1013 L CA -0.575 54.304 54.840 0.066 0.000 0.822 1013 L CB 2.731 44.801 42.059 0.017 0.000 1.388 1013 L HN 0.590 nan 8.230 nan 0.000 0.413 1014 T N -0.042 114.550 114.554 0.063 0.000 3.032 1014 T HA 0.289 4.640 4.350 0.002 0.000 0.312 1014 T C -0.436 174.268 174.700 0.007 0.000 1.078 1014 T CA -0.671 61.461 62.100 0.053 0.000 1.028 1014 T CB 1.802 70.691 68.868 0.034 0.000 1.091 1014 T HN 0.679 nan 8.240 nan 0.000 0.457 1015 S N 1.423 117.122 115.700 -0.002 0.000 2.614 1015 S HA 0.330 4.801 4.470 0.002 0.000 0.265 1015 S C 1.695 176.281 174.600 -0.023 0.000 1.303 1015 S CA -0.066 58.123 58.200 -0.019 0.000 1.000 1015 S CB 1.056 64.246 63.200 -0.018 0.000 0.935 1015 S HN 0.833 nan 8.310 nan 0.000 0.551 1016 S N 1.059 116.739 115.700 -0.033 0.000 2.406 1016 S HA 0.249 4.720 4.470 0.002 0.000 0.224 1016 S C 1.008 175.600 174.600 -0.014 0.000 1.030 1016 S CA 0.294 58.475 58.200 -0.030 0.000 0.958 1016 S CB -0.952 62.223 63.200 -0.041 0.000 0.811 1016 S HN 1.073 nan 8.310 nan 0.000 0.489 1017 G N 1.644 110.440 108.800 -0.007 0.000 2.990 1017 G HA2 0.411 4.372 3.960 0.002 0.000 0.208 1017 G HA3 0.411 4.372 3.960 0.002 0.000 0.208 1017 G C 0.005 174.922 174.900 0.029 0.000 1.334 1017 G CA -0.146 44.962 45.100 0.013 0.000 1.024 1017 G HN 0.444 nan 8.290 nan 0.000 0.574 1018 N N -0.821 117.904 118.700 0.042 0.000 2.238 1018 N HA 0.121 4.862 4.740 0.002 0.000 0.222 1018 N C -0.169 175.365 175.510 0.040 0.000 1.133 1018 N CA 0.077 53.160 53.050 0.053 0.000 0.854 1018 N CB 0.573 39.099 38.487 0.065 0.000 1.041 1018 N HN 0.396 nan 8.380 nan 0.000 0.510 1019 S N -0.262 115.457 115.700 0.033 0.000 2.541 1019 S HA 0.729 5.200 4.470 0.002 0.000 0.271 1019 S C -0.956 173.656 174.600 0.020 0.000 1.133 1019 S CA -0.873 57.352 58.200 0.042 0.000 0.876 1019 S CB 2.165 65.413 63.200 0.081 0.000 1.105 1019 S HN 0.115 nan 8.310 nan 0.000 0.470 1020 L N 2.269 123.489 121.223 -0.005 0.000 2.493 1020 L HA 0.472 4.813 4.340 0.002 0.000 0.265 1020 L C -0.803 175.991 176.870 -0.126 0.000 0.954 1020 L CA -0.656 54.155 54.840 -0.048 0.000 0.844 1020 L CB 2.295 44.297 42.059 -0.096 0.000 1.302 1020 L HN 0.619 nan 8.230 nan 0.000 0.405 1021 M N 4.008 123.553 119.600 -0.092 0.000 2.235 1021 M HA 0.400 4.881 4.480 0.002 0.000 0.351 1021 M C -0.762 175.494 176.300 -0.072 0.000 1.178 1021 M CA -0.148 55.017 55.300 -0.226 0.000 1.143 1021 M CB 1.233 33.827 32.600 -0.011 0.000 1.530 1021 M HN 0.458 nan 8.290 nan 0.000 0.461 1022 L N 4.200 125.402 121.223 -0.035 0.000 2.489 1022 L HA 0.313 4.653 4.340 0.002 0.000 0.257 1022 L C -1.004 176.069 176.870 0.339 0.000 1.215 1022 L CA -0.424 54.496 54.840 0.132 0.000 0.915 1022 L CB 1.667 43.773 42.059 0.077 0.000 1.146 1022 L HN 0.385 nan 8.230 nan 0.000 0.494 1023 V N 3.440 123.540 119.914 0.311 0.000 2.407 1023 V HA 0.465 4.586 4.120 0.002 0.000 0.278 1023 V C -0.946 175.458 176.094 0.516 0.000 1.037 1023 V CA -0.239 62.287 62.300 0.377 0.000 0.900 1023 V CB 1.631 33.609 31.823 0.259 0.000 0.983 1023 V HN 0.390 nan 8.190 nan 0.000 0.459 1024 F N 6.670 126.838 119.950 0.364 0.000 2.444 1024 F HA 0.769 5.297 4.527 0.002 0.000 0.342 1024 F C -0.572 175.281 175.800 0.089 0.000 1.121 1024 F CA -1.012 57.173 58.000 0.308 0.000 0.997 1024 F CB 1.714 41.039 39.000 0.541 0.000 1.130 1024 F HN 0.341 nan 8.300 nan 0.000 0.454 1025 V N 5.869 125.613 119.914 -0.283 0.000 2.711 1025 V HA 0.561 4.681 4.120 0.002 0.000 0.304 1025 V C -0.434 175.255 176.094 -0.675 0.000 1.097 1025 V CA 0.087 62.071 62.300 -0.526 0.000 0.906 1025 V CB 2.289 33.874 31.823 -0.397 0.000 1.015 1025 V HN 1.076 nan 8.190 nan 0.000 0.427 1026 T N 1.880 116.133 114.554 -0.501 0.000 2.598 1026 T HA 0.817 5.168 4.350 0.002 0.000 0.254 1026 T C -0.956 173.654 174.700 -0.151 0.000 0.889 1026 T CA -0.075 61.848 62.100 -0.296 0.000 1.091 1026 T CB 2.139 70.889 68.868 -0.196 0.000 1.437 1026 T HN 0.785 nan 8.240 nan 0.000 0.542 1027 D N -1.501 118.870 120.400 -0.047 0.000 2.677 1027 D HA 0.330 4.971 4.640 0.002 0.000 0.298 1027 D C 1.244 177.573 176.300 0.047 0.000 1.250 1027 D CA 0.103 54.096 54.000 -0.010 0.000 0.888 1027 D CB 0.987 41.785 40.800 -0.002 0.000 1.397 1027 D HN 0.614 nan 8.370 nan 0.000 0.461 1028 S N -0.273 115.450 115.700 0.038 0.000 2.338 1028 S HA -0.099 4.372 4.470 0.002 0.000 0.218 1028 S C 0.488 175.133 174.600 0.074 0.000 1.032 1028 S CA 1.170 59.388 58.200 0.030 0.000 0.999 1028 S CB -0.947 62.236 63.200 -0.030 0.000 0.905 1028 S HN 0.681 nan 8.310 nan 0.000 0.439 1029 D N 2.943 123.380 120.400 0.063 0.000 2.308 1029 D HA 0.479 5.120 4.640 0.002 0.000 0.251 1029 D C 0.028 176.389 176.300 0.102 0.000 1.127 1029 D CA -0.374 53.669 54.000 0.071 0.000 0.876 1029 D CB 0.563 41.385 40.800 0.036 0.000 1.176 1029 D HN 0.535 nan 8.370 nan 0.000 0.446 1030 L N -0.600 120.665 121.223 0.071 0.000 0.994 1030 L HA 0.083 4.424 4.340 0.002 0.000 0.407 1030 L C -0.766 175.849 176.870 -0.425 0.000 1.003 1030 L CA -0.159 54.597 54.840 -0.141 0.000 1.203 1030 L CB -1.565 40.492 42.059 -0.005 0.000 0.989 1030 L HN 0.877 nan 8.230 nan 0.000 0.553 1031 A N 2.240 124.530 122.820 -0.883 0.000 2.588 1031 A HA 1.009 5.330 4.320 0.002 0.000 0.290 1031 A C -1.659 175.112 177.584 -1.355 0.000 1.136 1031 A CA -0.552 50.730 52.037 -1.259 0.000 0.681 1031 A CB 1.673 19.747 19.000 -1.543 0.000 1.282 1031 A HN 0.725 nan 8.150 nan 0.000 0.421 1032 Y N -1.318 118.824 120.300 -0.264 0.000 2.853 1032 Y HA 0.372 4.923 4.550 0.002 0.000 0.326 1032 Y C 1.322 177.291 175.900 0.115 0.000 1.384 1032 Y CA -0.269 57.802 58.100 -0.048 0.000 1.077 1032 Y CB 0.679 39.096 38.460 -0.072 0.000 1.395 1032 Y HN 0.714 nan 8.280 nan 0.000 0.451 1033 E N 1.122 121.462 120.200 0.234 0.000 2.455 1033 E HA 0.092 4.443 4.350 0.002 0.000 0.202 1033 E C 0.988 177.764 176.600 0.293 0.000 1.045 1033 E CA 1.411 57.912 56.400 0.168 0.000 0.872 1033 E CB -0.470 29.295 29.700 0.108 0.000 0.792 1033 E HN 0.945 nan 8.360 nan 0.000 0.542 1034 G N 1.321 110.313 108.800 0.321 0.000 2.520 1034 G HA2 -0.183 3.778 3.960 0.002 0.000 0.248 1034 G HA3 -0.183 3.778 3.960 0.002 0.000 0.248 1034 G C -0.312 174.548 174.900 -0.066 0.000 1.161 1034 G CA 0.235 45.331 45.100 -0.007 0.000 0.946 1034 G HN 0.641 nan 8.290 nan 0.000 0.565 1035 F N -1.876 118.044 119.950 -0.049 0.000 2.639 1035 F HA 0.784 5.312 4.527 0.002 0.000 0.320 1035 F C -1.076 174.441 175.800 -0.472 0.000 1.128 1035 F CA -1.681 56.230 58.000 -0.148 0.000 1.037 1035 F CB 0.623 39.632 39.000 0.014 0.000 1.288 1035 F HN 0.951 nan 8.300 nan 0.000 0.463 1036 L N 5.168 126.292 121.223 -0.165 0.000 2.379 1036 L HA 0.848 5.189 4.340 0.002 0.000 0.269 1036 L C -0.742 176.096 176.870 -0.054 0.000 1.084 1036 L CA -0.993 53.730 54.840 -0.194 0.000 0.802 1036 L CB 1.534 43.487 42.059 -0.177 0.000 1.175 1036 L HN 0.876 nan 8.230 nan 0.000 0.448 1037 I N 2.802 123.275 120.570 -0.161 0.000 2.686 1037 I HA 0.348 4.519 4.170 0.002 0.000 0.280 1037 I C -1.500 174.407 176.117 -0.350 0.000 1.322 1037 I CA -0.271 60.818 61.300 -0.351 0.000 1.107 1037 I CB 1.080 38.730 38.000 -0.584 0.000 1.366 1037 I HN 0.713 nan 8.210 nan 0.000 0.443 1038 N N 5.278 123.776 118.700 -0.337 0.000 2.434 1038 N HA 0.730 5.471 4.740 0.002 0.000 0.266 1038 N C -1.468 173.885 175.510 -0.262 0.000 1.223 1038 N CA 0.091 52.988 53.050 -0.255 0.000 0.972 1038 N CB 0.972 39.320 38.487 -0.232 0.000 1.207 1038 N HN 0.590 nan 8.380 nan 0.000 0.525 1039 Y N -2.048 118.065 120.300 -0.311 0.000 2.656 1039 Y HA 0.539 5.090 4.550 0.002 0.000 0.334 1039 Y C -1.821 173.975 175.900 -0.173 0.000 1.179 1039 Y CA -1.080 56.842 58.100 -0.297 0.000 1.050 1039 Y CB 1.066 39.362 38.460 -0.274 0.000 1.308 1039 Y HN 0.644 nan 8.280 nan 0.000 0.456 1040 E N 1.961 122.071 120.200 -0.151 0.000 2.401 1040 E HA 0.737 5.088 4.350 0.002 0.000 0.280 1040 E C -1.704 174.942 176.600 0.076 0.000 1.039 1040 E CA -1.268 55.030 56.400 -0.170 0.000 0.814 1040 E CB 1.893 31.525 29.700 -0.113 0.000 1.275 1040 E HN 1.101 nan 8.360 nan 0.000 0.448 1041 A N 1.869 124.730 122.820 0.068 0.000 2.351 1041 A HA 0.680 5.001 4.320 0.002 0.000 0.257 1041 A C -0.297 177.367 177.584 0.133 0.000 1.087 1041 A CA -0.374 51.753 52.037 0.150 0.000 0.798 1041 A CB 0.289 19.381 19.000 0.154 0.000 1.033 1041 A HN 0.558 nan 8.150 nan 0.000 0.488 1042 I N 0.699 121.355 120.570 0.144 0.000 2.627 1042 I HA 0.133 4.304 4.170 0.002 0.000 0.288 1042 I C 0.148 176.126 176.117 -0.231 0.000 1.202 1042 I CA -0.217 61.072 61.300 -0.019 0.000 1.050 1042 I CB 2.144 40.118 38.000 -0.042 0.000 1.264 1042 I HN 0.688 nan 8.210 nan 0.000 0.429 1043 S N 3.869 119.310 115.700 -0.432 0.000 2.562 1043 S HA 0.310 4.781 4.470 0.002 0.000 0.281 1043 S C 1.111 175.478 174.600 -0.389 0.000 1.333 1043 S CA 0.423 58.175 58.200 -0.748 0.000 1.052 1043 S CB 1.381 64.302 63.200 -0.466 0.000 0.884 1043 S HN 0.715 nan 8.310 nan 0.000 0.506 1044 A N 4.450 127.076 122.820 -0.322 0.000 2.123 1044 A HA 0.376 4.697 4.320 0.002 0.000 0.214 1044 A C 2.124 179.646 177.584 -0.103 0.000 1.152 1044 A CA 1.019 52.961 52.037 -0.160 0.000 0.728 1044 A CB -0.917 18.029 19.000 -0.091 0.000 0.814 1044 A HN 1.035 nan 8.150 nan 0.000 0.464 1045 A N -0.118 122.647 122.820 -0.092 0.000 1.825 1045 A HA -0.079 4.242 4.320 0.002 0.000 0.214 1045 A C 2.072 179.657 177.584 0.002 0.000 1.206 1045 A CA 2.071 54.105 52.037 -0.004 0.000 0.609 1045 A CB -1.510 17.507 19.000 0.028 0.000 0.851 1045 A HN 0.386 nan 8.150 nan 0.000 0.445 1046 T N 0.650 115.144 114.554 -0.100 0.000 3.093 1046 T HA 0.191 4.542 4.350 0.002 0.000 0.270 1046 T C 0.706 175.095 174.700 -0.518 0.000 1.170 1046 T CA 0.799 62.677 62.100 -0.370 0.000 1.072 1046 T CB -0.677 67.989 68.868 -0.338 0.000 0.863 1046 T HN 0.613 nan 8.240 nan 0.000 0.562 1047 A N 1.305 123.956 122.820 -0.282 0.000 2.444 1047 A HA 0.508 4.829 4.320 0.002 0.000 0.332 1047 A C 0.425 177.895 177.584 -0.190 0.000 1.430 1047 A CA -0.874 51.007 52.037 -0.261 0.000 0.975 1047 A CB -0.299 18.586 19.000 -0.192 0.000 1.147 1047 A HN 0.598 nan 8.150 nan 0.000 0.524 1048 c N 4.823 123.278 118.600 -0.241 0.000 2.273 1048 c HA 0.851 5.422 4.570 0.002 0.000 0.328 1048 c C -0.722 173.241 174.090 -0.212 0.000 1.275 1048 c CA -0.590 55.654 56.329 -0.142 0.000 1.704 1048 c CB -1.326 41.181 42.510 -0.004 0.000 2.326 1048 c HN 0.726 nan 8.230 nan 0.000 0.517 1049 L N 6.917 128.024 121.223 -0.194 0.000 2.588 1049 L HA 0.503 4.844 4.340 0.002 0.000 0.263 1049 L C -1.024 175.725 176.870 -0.201 0.000 0.935 1049 L CA -0.323 54.389 54.840 -0.214 0.000 0.891 1049 L CB 1.828 43.791 42.059 -0.161 0.000 1.318 1049 L HN 0.825 nan 8.230 nan 0.000 0.409 1050 Q N 0.895 120.551 119.800 -0.241 0.000 2.289 1050 Q HA 0.560 4.901 4.340 0.002 0.000 0.270 1050 Q C -1.959 173.849 176.000 -0.320 0.000 1.038 1050 Q CA -0.986 54.651 55.803 -0.278 0.000 0.812 1050 Q CB 3.025 31.595 28.738 -0.281 0.000 1.300 1050 Q HN 0.373 nan 8.270 nan 0.000 0.427 1051 D N 1.899 122.085 120.400 -0.356 0.000 2.175 1051 D HA 0.480 5.121 4.640 0.002 0.000 0.248 1051 D C -1.255 174.791 176.300 -0.423 0.000 1.047 1051 D CA 0.128 53.966 54.000 -0.269 0.000 0.883 1051 D CB 0.826 41.539 40.800 -0.144 0.000 1.180 1051 D HN 0.356 nan 8.370 nan 0.000 0.438 1052 Y N -0.661 119.609 120.300 -0.050 0.000 2.499 1052 Y HA 0.416 4.967 4.550 0.002 0.000 0.347 1052 Y C 1.216 177.139 175.900 0.039 0.000 0.987 1052 Y CA -0.590 57.521 58.100 0.018 0.000 1.044 1052 Y CB 2.513 40.956 38.460 -0.029 0.000 1.245 1052 Y HN 0.434 nan 8.280 nan 0.000 0.461 1053 T N -4.702 110.068 114.554 0.361 0.000 3.154 1053 T HA 0.023 4.374 4.350 0.002 0.000 0.258 1053 T C 0.462 175.389 174.700 0.379 0.000 0.899 1053 T CA 0.000 62.279 62.100 0.299 0.000 0.908 1053 T CB -0.118 68.841 68.868 0.151 0.000 1.260 1053 T HN 0.414 nan 8.240 nan 0.000 0.521 1054 D N 2.890 123.494 120.400 0.339 0.000 2.420 1054 D HA 0.053 4.694 4.640 0.002 0.000 0.233 1054 D C -0.009 176.284 176.300 -0.010 0.000 1.017 1054 D CA 0.828 54.912 54.000 0.141 0.000 0.951 1054 D CB -0.585 40.270 40.800 0.091 0.000 0.877 1054 D HN 0.462 nan 8.370 nan 0.000 0.528 1055 D N -0.823 119.570 120.400 -0.010 0.000 2.945 1055 D HA -0.197 4.444 4.640 0.002 0.000 0.225 1055 D C -0.449 175.380 176.300 -0.785 0.000 1.158 1055 D CA 0.509 54.334 54.000 -0.292 0.000 0.805 1055 D CB -1.500 39.252 40.800 -0.080 0.000 1.098 1055 D HN 0.353 nan 8.370 nan 0.000 0.426 1056 L N -0.489 119.964 121.223 -1.283 0.000 2.439 1056 L HA 0.563 4.904 4.340 0.002 0.000 0.270 1056 L C 1.074 177.219 176.870 -1.208 0.000 0.972 1056 L CA -0.923 53.348 54.840 -0.949 0.000 0.836 1056 L CB 2.241 44.068 42.059 -0.387 0.000 1.255 1056 L HN 0.006 nan 8.230 nan 0.000 0.404 1057 G N 0.227 108.440 108.800 -0.979 0.000 2.985 1057 G HA2 0.237 4.198 3.960 0.002 0.000 0.282 1057 G HA3 0.237 4.198 3.960 0.002 0.000 0.282 1057 G C 0.826 175.766 174.900 0.067 0.000 0.791 1057 G CA -0.013 44.909 45.100 -0.298 0.000 1.934 1057 G HN 0.711 nan 8.290 nan 0.000 0.563 1058 T N -0.688 113.932 114.554 0.109 0.000 3.278 1058 T HA 0.270 4.621 4.350 0.002 0.000 0.251 1058 T C 0.335 175.094 174.700 0.098 0.000 1.039 1058 T CA -0.669 61.481 62.100 0.084 0.000 0.935 1058 T CB -0.636 68.308 68.868 0.127 0.000 1.034 1058 T HN 0.383 nan 8.240 nan 0.000 0.575 1059 F N 0.629 120.509 119.950 -0.117 0.000 2.421 1059 F HA 0.786 5.314 4.527 0.002 0.000 0.337 1059 F C -0.615 175.055 175.800 -0.216 0.000 1.105 1059 F CA -0.625 57.254 58.000 -0.202 0.000 1.049 1059 F CB 1.929 40.650 39.000 -0.464 0.000 1.139 1059 F HN -0.102 nan 8.300 nan 0.000 0.479 1060 T N 2.516 116.843 114.554 -0.378 0.000 3.012 1060 T HA 0.315 4.665 4.350 0.002 0.000 0.330 1060 T C -0.939 173.339 174.700 -0.703 0.000 1.321 1060 T CA -0.636 61.036 62.100 -0.713 0.000 1.067 1060 T CB 1.395 69.976 68.868 -0.480 0.000 1.235 1060 T HN 0.988 nan 8.240 nan 0.000 0.479 1061 S N 3.650 118.447 115.700 -1.504 0.000 2.566 1061 S HA 0.306 4.777 4.470 0.002 0.000 0.280 1061 S C -2.560 171.744 174.600 -0.493 0.000 1.343 1061 S CA -0.729 56.716 58.200 -1.259 0.000 1.036 1061 S CB -0.176 62.084 63.200 -1.567 0.000 0.866 1061 S HN 0.370 nan 8.310 nan 0.000 0.526 1062 P HA 0.105 nan 4.420 nan 0.000 0.264 1062 P C 0.366 177.583 177.300 -0.138 0.000 1.179 1062 P CA 0.548 63.547 63.100 -0.169 0.000 0.763 1062 P CB 0.075 31.640 31.700 -0.224 0.000 0.806 1063 N N -0.550 118.085 118.700 -0.107 0.000 2.946 1063 N HA -0.244 4.497 4.740 0.002 0.000 0.228 1063 N C 0.080 175.550 175.510 -0.067 0.000 0.873 1063 N CA 0.777 53.767 53.050 -0.099 0.000 1.029 1063 N CB -1.959 36.446 38.487 -0.137 0.000 1.047 1063 N HN 0.453 nan 8.380 nan 0.000 0.612 1064 F N 3.414 123.251 119.950 -0.189 0.000 2.629 1064 F HA 0.080 4.608 4.527 0.001 0.000 0.377 1064 F C -0.939 174.781 175.800 -0.133 0.000 1.101 1064 F CA -0.641 57.248 58.000 -0.185 0.000 1.301 1064 F CB 0.803 39.639 39.000 -0.273 0.000 1.062 1064 F HN -0.038 nan 8.300 nan 0.000 0.583 1065 P HA 0.004 nan 4.420 nan 0.000 0.245 1065 P C -0.452 176.467 177.300 -0.634 0.000 1.206 1065 P CA 0.304 62.505 63.100 -1.498 0.000 0.781 1065 P CB 0.037 31.102 31.700 -1.059 0.000 0.994 1066 N N 1.126 119.601 118.700 -0.375 0.000 2.297 1066 N HA 0.006 4.747 4.740 0.002 0.000 0.232 1066 N C 0.194 175.574 175.510 -0.216 0.000 1.311 1066 N CA 0.257 53.159 53.050 -0.246 0.000 0.897 1066 N CB 0.052 38.431 38.487 -0.180 0.000 1.137 1066 N HN -0.016 nan 8.380 nan 0.000 0.449 1067 N N 0.686 119.264 118.700 -0.204 0.000 2.497 1067 N HA 0.017 4.758 4.740 0.002 0.000 0.268 1067 N C -0.476 174.906 175.510 -0.213 0.000 1.171 1067 N CA -0.036 52.858 53.050 -0.259 0.000 0.948 1067 N CB 0.012 38.337 38.487 -0.269 0.000 1.069 1067 N HN 0.326 nan 8.380 nan 0.000 0.460 1068 Y N 1.491 121.739 120.300 -0.088 0.000 2.426 1068 Y HA 0.491 5.042 4.550 0.002 0.000 0.344 1068 Y C -2.389 173.456 175.900 -0.091 0.000 1.256 1068 Y CA -2.499 55.531 58.100 -0.116 0.000 1.451 1068 Y CB -0.863 37.563 38.460 -0.055 0.000 1.342 1068 Y HN 0.452 nan 8.280 nan 0.000 0.600 1069 P HA 0.206 nan 4.420 nan 0.000 0.277 1069 P C -0.875 176.581 177.300 0.259 0.000 1.271 1069 P CA -0.501 62.599 63.100 -0.000 0.000 0.795 1069 P CB 0.752 32.207 31.700 -0.408 0.000 1.101 1070 N N 0.365 119.182 118.700 0.195 0.000 2.508 1070 N HA 0.137 4.878 4.740 0.002 0.000 0.285 1070 N C 0.197 175.867 175.510 0.267 0.000 1.144 1070 N CA -0.219 52.964 53.050 0.222 0.000 0.978 1070 N CB -0.234 38.337 38.487 0.140 0.000 1.180 1070 N HN 0.402 nan 8.380 nan 0.000 0.484 1071 N N -1.023 117.795 118.700 0.197 0.000 2.713 1071 N HA -0.209 4.532 4.740 0.002 0.000 0.251 1071 N C -0.929 174.698 175.510 0.194 0.000 1.117 1071 N CA 0.664 53.804 53.050 0.152 0.000 0.770 1071 N CB -0.638 37.924 38.487 0.126 0.000 1.137 1071 N HN 0.556 nan 8.380 nan 0.000 0.566 1072 W N 1.256 122.553 121.300 -0.004 0.000 2.202 1072 W HA 0.278 4.939 4.660 0.002 0.000 0.332 1072 W C 0.613 177.084 176.519 -0.080 0.000 1.263 1072 W CA -0.020 57.326 57.345 0.002 0.000 1.223 1072 W CB 0.707 30.231 29.460 0.106 0.000 1.128 1072 W HN 0.079 nan 8.180 nan 0.000 0.573 1073 E N 2.956 122.936 120.200 -0.367 0.000 2.343 1073 E HA 0.506 4.857 4.350 0.002 0.000 0.270 1073 E C -1.795 174.632 176.600 -0.287 0.000 0.895 1073 E CA -0.597 55.646 56.400 -0.261 0.000 0.767 1073 E CB 2.360 31.914 29.700 -0.244 0.000 1.248 1073 E HN 0.419 nan 8.360 nan 0.000 0.440 1074 c N 4.804 123.346 118.600 -0.096 0.000 3.094 1074 c HA 0.512 5.083 4.570 0.002 0.000 0.414 1074 c C -1.662 172.308 174.090 -0.200 0.000 0.993 1074 c CA -0.508 55.753 56.329 -0.114 0.000 1.217 1074 c CB -0.017 42.567 42.510 0.124 0.000 1.603 1074 c HN 0.767 nan 8.230 nan 0.000 0.564 1075 I N 4.705 125.048 120.570 -0.380 0.000 2.603 1075 I HA 0.533 4.704 4.170 0.002 0.000 0.300 1075 I C -1.172 174.624 176.117 -0.535 0.000 1.017 1075 I CA -0.650 60.407 61.300 -0.405 0.000 1.098 1075 I CB 2.030 39.866 38.000 -0.273 0.000 1.279 1075 I HN 0.681 nan 8.210 nan 0.000 0.437 1076 Y N 4.124 124.232 120.300 -0.321 0.000 2.333 1076 Y HA 0.433 4.984 4.550 0.002 0.000 0.324 1076 Y C -0.456 175.243 175.900 -0.335 0.000 1.033 1076 Y CA -0.972 57.001 58.100 -0.212 0.000 1.224 1076 Y CB 1.199 39.571 38.460 -0.147 0.000 1.120 1076 Y HN 0.413 nan 8.280 nan 0.000 0.457 1077 R N 3.466 123.914 120.500 -0.088 0.000 2.457 1077 R HA 0.777 5.118 4.340 0.002 0.000 0.284 1077 R C -0.947 175.296 176.300 -0.095 0.000 1.024 1077 R CA -0.928 55.132 56.100 -0.066 0.000 1.025 1077 R CB 1.280 31.581 30.300 0.002 0.000 1.063 1077 R HN 0.717 nan 8.270 nan 0.000 0.493 1078 I N -2.026 118.438 120.570 -0.176 0.000 2.534 1078 I HA 0.426 4.597 4.170 0.002 0.000 0.286 1078 I C -0.996 175.013 176.117 -0.179 0.000 1.094 1078 I CA -0.288 60.863 61.300 -0.249 0.000 1.055 1078 I CB 2.537 40.147 38.000 -0.650 0.000 1.225 1078 I HN 0.484 nan 8.210 nan 0.000 0.435 1079 T N 5.391 119.899 114.554 -0.078 0.000 2.952 1079 T HA 0.894 5.244 4.350 0.002 0.000 0.286 1079 T C 0.160 174.879 174.700 0.031 0.000 1.024 1079 T CA -0.428 61.665 62.100 -0.011 0.000 1.029 1079 T CB 2.066 70.948 68.868 0.022 0.000 1.094 1079 T HN 0.846 nan 8.240 nan 0.000 0.515 1080 V N -1.632 118.316 119.914 0.057 0.000 3.087 1080 V HA 0.620 4.741 4.120 0.002 0.000 0.312 1080 V C -0.727 175.384 176.094 0.029 0.000 1.482 1080 V CA -1.834 60.513 62.300 0.078 0.000 1.015 1080 V CB 0.933 32.827 31.823 0.118 0.000 1.055 1080 V HN 0.735 nan 8.190 nan 0.000 0.478 1081 R N 0.429 120.938 120.500 0.016 0.000 2.570 1081 R HA 0.332 4.672 4.340 0.002 0.000 0.277 1081 R C 1.203 177.442 176.300 -0.102 0.000 1.039 1081 R CA 0.708 56.782 56.100 -0.044 0.000 1.065 1081 R CB 0.475 30.761 30.300 -0.023 0.000 0.964 1081 R HN 0.853 nan 8.270 nan 0.000 0.428 1082 T N 1.577 115.995 114.554 -0.227 0.000 2.881 1082 T HA -0.128 4.223 4.350 0.002 0.000 0.270 1082 T C 1.835 176.415 174.700 -0.201 0.000 1.068 1082 T CA 1.373 63.239 62.100 -0.389 0.000 1.131 1082 T CB -0.096 68.320 68.868 -0.753 0.000 0.871 1082 T HN 0.865 nan 8.240 nan 0.000 0.479 1083 G N 1.105 109.828 108.800 -0.130 0.000 2.484 1083 G HA2 -0.108 3.853 3.960 0.002 0.000 0.215 1083 G HA3 -0.108 3.853 3.960 0.002 0.000 0.215 1083 G C 0.825 175.698 174.900 -0.045 0.000 1.219 1083 G CA 0.405 45.460 45.100 -0.075 0.000 0.791 1083 G HN 0.370 nan 8.290 nan 0.000 0.550 1084 Q N -0.646 119.138 119.800 -0.027 0.000 2.526 1084 Q HA 0.614 4.955 4.340 0.002 0.000 0.207 1084 Q C -0.034 175.966 176.000 0.001 0.000 1.078 1084 Q CA 0.021 55.821 55.803 -0.005 0.000 1.041 1084 Q CB 0.702 29.449 28.738 0.015 0.000 1.228 1084 Q HN 0.295 nan 8.270 nan 0.000 0.603 1085 L N 0.423 121.648 121.223 0.002 0.000 2.330 1085 L HA 0.509 4.850 4.340 0.002 0.000 0.271 1085 L C -0.700 176.180 176.870 0.017 0.000 1.013 1085 L CA -0.920 53.916 54.840 -0.006 0.000 0.816 1085 L CB 1.201 43.236 42.059 -0.040 0.000 1.287 1085 L HN 0.462 nan 8.230 nan 0.000 0.435 1086 I N 1.582 122.155 120.570 0.004 0.000 2.396 1086 I HA 0.508 4.679 4.170 0.002 0.000 0.292 1086 I C 0.141 176.245 176.117 -0.022 0.000 0.999 1086 I CA 0.192 61.502 61.300 0.016 0.000 1.310 1086 I CB 1.584 39.556 38.000 -0.047 0.000 1.404 1086 I HN 0.578 nan 8.210 nan 0.000 0.496 1087 A N 5.990 128.813 122.820 0.005 0.000 2.466 1087 A HA 0.618 4.938 4.320 0.002 0.000 0.291 1087 A C -0.895 176.571 177.584 -0.198 0.000 1.234 1087 A CA -0.602 51.373 52.037 -0.103 0.000 0.752 1087 A CB 1.113 20.075 19.000 -0.063 0.000 1.153 1087 A HN 0.562 nan 8.150 nan 0.000 0.458 1088 V N 4.758 124.506 119.914 -0.277 0.000 2.407 1088 V HA 0.554 4.675 4.120 0.002 0.000 0.278 1088 V C -0.597 175.168 176.094 -0.548 0.000 1.037 1088 V CA -0.313 61.794 62.300 -0.322 0.000 0.900 1088 V CB 0.771 32.447 31.823 -0.244 0.000 0.983 1088 V HN 0.827 nan 8.190 nan 0.000 0.459 1089 H N 5.645 124.382 119.070 -0.556 0.000 2.529 1089 H HA 0.452 5.009 4.556 0.001 0.000 0.348 1089 H C -1.290 173.707 175.328 -0.553 0.000 1.152 1089 H CA -0.348 55.395 56.048 -0.507 0.000 1.202 1089 H CB 1.835 31.148 29.762 -0.747 0.000 1.562 1089 H HN 0.635 nan 8.280 nan 0.000 0.515 1090 F N 0.404 120.312 119.950 -0.069 0.000 2.443 1090 F HA 0.152 4.680 4.527 0.002 0.000 0.335 1090 F C 1.296 177.155 175.800 0.098 0.000 1.104 1090 F CA -0.402 57.595 58.000 -0.004 0.000 1.013 1090 F CB 1.927 40.919 39.000 -0.013 0.000 1.136 1090 F HN 0.494 nan 8.300 nan 0.000 0.470 1091 T N 0.049 114.752 114.554 0.248 0.000 2.980 1091 T HA 0.079 4.430 4.350 0.002 0.000 0.239 1091 T C 0.475 175.296 174.700 0.201 0.000 1.011 1091 T CA 0.185 62.407 62.100 0.204 0.000 1.171 1091 T CB 0.006 68.951 68.868 0.129 0.000 0.873 1091 T HN 0.377 nan 8.240 nan 0.000 0.431 1092 N N 0.193 118.997 118.700 0.174 0.000 2.370 1092 N HA 0.581 5.322 4.740 0.002 0.000 0.303 1092 N C -1.979 173.738 175.510 0.346 0.000 1.103 1092 N CA -0.389 52.805 53.050 0.239 0.000 0.848 1092 N CB 2.403 41.069 38.487 0.299 0.000 1.235 1092 N HN 0.224 nan 8.380 nan 0.000 0.496 1093 F N 1.475 121.543 119.950 0.197 0.000 3.588 1093 F HA 0.086 4.614 4.527 0.002 0.000 0.396 1093 F C -1.188 174.711 175.800 0.165 0.000 1.213 1093 F CA -0.422 57.689 58.000 0.186 0.000 1.387 1093 F CB 0.726 39.735 39.000 0.015 0.000 2.059 1093 F HN 0.274 nan 8.300 nan 0.000 0.754 1094 S N 7.470 123.397 115.700 0.378 0.000 2.756 1094 S HA 0.760 5.231 4.470 0.002 0.000 0.303 1094 S C -1.706 173.095 174.600 0.334 0.000 1.135 1094 S CA -0.418 57.999 58.200 0.362 0.000 1.066 1094 S CB 0.850 64.193 63.200 0.238 0.000 1.008 1094 S HN 0.621 nan 8.310 nan 0.000 0.482 1095 L N 2.885 124.364 121.223 0.427 0.000 2.350 1095 L HA 0.554 4.895 4.340 0.002 0.000 0.260 1095 L C 0.301 177.424 176.870 0.421 0.000 1.015 1095 L CA -0.922 54.196 54.840 0.463 0.000 0.821 1095 L CB 2.031 44.377 42.059 0.478 0.000 1.370 1095 L HN 0.738 nan 8.230 nan 0.000 0.416 1096 E N 1.575 122.020 120.200 0.408 0.000 2.508 1096 E HA -0.060 4.290 4.350 0.002 0.000 0.266 1096 E C -0.453 176.341 176.600 0.323 0.000 1.010 1096 E CA -0.143 56.444 56.400 0.311 0.000 0.955 1096 E CB 0.715 30.582 29.700 0.278 0.000 0.946 1096 E HN 0.311 nan 8.360 nan 0.000 0.454 1097 E N 0.867 121.219 120.200 0.253 0.000 2.392 1097 E HA 0.208 4.559 4.350 0.002 0.000 0.256 1097 E C -0.698 176.028 176.600 0.209 0.000 1.145 1097 E CA -0.102 56.452 56.400 0.257 0.000 0.929 1097 E CB 1.127 30.934 29.700 0.178 0.000 0.998 1097 E HN 0.543 nan 8.360 nan 0.000 0.442 1098 A N 2.325 125.241 122.820 0.160 0.000 2.320 1098 A HA 0.305 4.626 4.320 0.002 0.000 0.287 1098 A C 0.025 177.606 177.584 -0.004 0.000 1.181 1098 A CA -0.616 51.407 52.037 -0.024 0.000 0.831 1098 A CB 0.090 18.873 19.000 -0.362 0.000 1.102 1098 A HN 0.355 nan 8.150 nan 0.000 0.513 1099 I N 3.448 124.020 120.570 0.003 0.000 2.483 1099 I HA 0.267 4.438 4.170 0.002 0.000 0.291 1099 I C 1.399 177.526 176.117 0.017 0.000 1.112 1099 I CA 1.277 62.577 61.300 -0.001 0.000 1.350 1099 I CB -1.495 36.482 38.000 -0.038 0.000 1.419 1099 I HN 1.075 nan 8.210 nan 0.000 0.523 1100 G N 7.448 116.250 108.800 0.003 0.000 2.614 1100 G HA2 -0.345 3.616 3.960 0.002 0.000 0.303 1100 G HA3 -0.345 3.616 3.960 0.002 0.000 0.303 1100 G C 0.757 175.614 174.900 -0.072 0.000 1.270 1100 G CA 0.291 45.398 45.100 0.011 0.000 0.988 1100 G HN 0.602 nan 8.290 nan 0.000 0.551 1101 N N 0.535 119.182 118.700 -0.089 0.000 2.314 1101 N HA 0.167 4.908 4.740 0.002 0.000 0.200 1101 N C -0.152 175.046 175.510 -0.520 0.000 1.135 1101 N CA 0.322 53.182 53.050 -0.316 0.000 0.835 1101 N CB 0.086 38.400 38.487 -0.289 0.000 0.989 1101 N HN 0.459 nan 8.380 nan 0.000 0.478 1102 Y N 0.018 120.091 120.300 -0.378 0.000 2.310 1102 Y HA 0.212 4.763 4.550 0.001 0.000 0.326 1102 Y C -0.018 175.639 175.900 -0.405 0.000 1.151 1102 Y CA -0.737 57.162 58.100 -0.335 0.000 1.195 1102 Y CB 0.589 38.958 38.460 -0.152 0.000 1.210 1102 Y HN -0.019 nan 8.280 nan 0.000 0.483 1103 Y N 1.028 121.323 120.300 -0.008 0.000 2.326 1103 Y HA 0.336 4.887 4.550 0.002 0.000 0.337 1103 Y C 0.423 176.399 175.900 0.127 0.000 1.023 1103 Y CA -1.186 56.904 58.100 -0.016 0.000 1.143 1103 Y CB 1.055 39.486 38.460 -0.049 0.000 1.183 1103 Y HN 0.490 nan 8.280 nan 0.000 0.485 1104 T N 0.308 115.032 114.554 0.284 0.000 2.824 1104 T HA 0.469 4.820 4.350 0.002 0.000 0.280 1104 T C -1.185 173.698 174.700 0.305 0.000 0.995 1104 T CA -1.083 61.171 62.100 0.257 0.000 1.009 1104 T CB 1.067 70.042 68.868 0.178 0.000 0.955 1104 T HN 0.589 nan 8.240 nan 0.000 0.452 1105 D N 1.274 121.797 120.400 0.206 0.000 8.600 1105 D HA -0.100 4.541 4.640 0.002 0.000 0.290 1105 D C -0.428 175.989 176.300 0.196 0.000 2.341 1105 D CA 1.262 55.272 54.000 0.016 0.000 2.146 1105 D CB -1.002 39.873 40.800 0.125 0.000 0.949 1105 D HN 0.736 nan 8.370 nan 0.000 0.665 1106 F N -0.812 119.122 119.950 -0.027 0.000 2.745 1106 F HA 0.745 5.273 4.527 0.001 0.000 0.316 1106 F C -1.624 174.241 175.800 0.108 0.000 1.155 1106 F CA -1.586 56.468 58.000 0.091 0.000 0.937 1106 F CB 1.051 39.982 39.000 -0.115 0.000 1.361 1106 F HN 0.177 nan 8.300 nan 0.000 0.472 1107 L N 1.888 123.388 121.223 0.462 0.000 2.427 1107 L HA 0.440 4.781 4.340 0.002 0.000 0.264 1107 L C -0.659 176.471 176.870 0.434 0.000 0.989 1107 L CA -0.266 54.784 54.840 0.350 0.000 0.865 1107 L CB 1.333 43.474 42.059 0.136 0.000 1.209 1107 L HN 0.800 nan 8.230 nan 0.000 0.430 1108 E N 4.846 125.299 120.200 0.423 0.000 2.265 1108 E HA 0.305 4.656 4.350 0.002 0.000 0.272 1108 E C -0.962 175.803 176.600 0.276 0.000 1.067 1108 E CA -0.044 56.552 56.400 0.326 0.000 0.900 1108 E CB 0.529 30.444 29.700 0.358 0.000 1.017 1108 E HN 0.600 nan 8.360 nan 0.000 0.431 1109 I N 5.677 126.434 120.570 0.311 0.000 2.355 1109 I HA 0.364 4.535 4.170 0.002 0.000 0.288 1109 I C 0.203 176.493 176.117 0.288 0.000 0.999 1109 I CA -0.619 60.844 61.300 0.271 0.000 1.163 1109 I CB 1.308 39.468 38.000 0.268 0.000 1.316 1109 I HN 0.370 nan 8.210 nan 0.000 0.454 1110 R N 3.151 123.858 120.500 0.345 0.000 2.732 1110 R HA 0.245 4.586 4.340 0.002 0.000 0.278 1110 R C 0.220 176.666 176.300 0.243 0.000 0.976 1110 R CA -0.818 55.471 56.100 0.314 0.000 0.963 1110 R CB 1.770 32.308 30.300 0.397 0.000 1.150 1110 R HN 0.499 nan 8.270 nan 0.000 0.478 1111 D N 0.790 121.311 120.400 0.203 0.000 2.249 1111 D HA 0.007 4.647 4.640 0.002 0.000 0.205 1111 D C 0.969 177.380 176.300 0.185 0.000 0.962 1111 D CA 0.915 55.039 54.000 0.206 0.000 0.860 1111 D CB 0.250 41.191 40.800 0.235 0.000 0.955 1111 D HN 0.628 nan 8.370 nan 0.000 0.505 1112 G N -1.190 107.708 108.800 0.163 0.000 2.975 1112 G HA2 0.413 4.374 3.960 0.002 0.000 0.159 1112 G HA3 0.413 4.374 3.960 0.002 0.000 0.159 1112 G C 0.680 175.627 174.900 0.077 0.000 1.525 1112 G CA 0.112 45.295 45.100 0.138 0.000 1.075 1112 G HN 0.192 nan 8.290 nan 0.000 0.574 1113 G N -1.630 107.131 108.800 -0.065 0.000 3.969 1113 G HA2 0.521 4.482 3.960 0.002 0.000 0.291 1113 G HA3 0.521 4.482 3.960 0.002 0.000 0.291 1113 G C -0.814 173.632 174.900 -0.756 0.000 1.016 1113 G CA -0.129 44.776 45.100 -0.326 0.000 0.819 1113 G HN 0.291 nan 8.290 nan 0.000 0.493 1114 Y N -0.776 119.380 120.300 -0.241 0.000 2.615 1114 Y HA 0.286 4.837 4.550 0.002 0.000 0.341 1114 Y C 0.958 176.153 175.900 -1.175 0.000 1.089 1114 Y CA -1.370 56.375 58.100 -0.592 0.000 1.049 1114 Y CB 1.239 39.484 38.460 -0.359 0.000 1.296 1114 Y HN 0.194 nan 8.280 nan 0.000 0.470 1115 E N -0.202 119.289 120.200 -1.183 0.000 2.515 1115 E HA -0.025 4.326 4.350 0.002 0.000 0.201 1115 E C 0.320 176.489 176.600 -0.719 0.000 1.071 1115 E CA 1.045 56.506 56.400 -1.564 0.000 0.880 1115 E CB 0.085 29.313 29.700 -0.786 0.000 0.828 1115 E HN 0.514 nan 8.360 nan 0.000 0.540 1116 K N 0.404 120.551 120.400 -0.422 0.000 2.517 1116 K HA 0.169 4.490 4.320 0.002 0.000 0.210 1116 K C -0.431 176.103 176.600 -0.110 0.000 1.166 1116 K CA -0.183 55.979 56.287 -0.209 0.000 1.030 1116 K CB 1.145 33.545 32.500 -0.166 0.000 0.974 1116 K HN -0.047 nan 8.250 nan 0.000 0.585 1117 S N 2.953 118.595 115.700 -0.096 0.000 2.566 1117 S HA 0.081 4.552 4.470 0.002 0.000 0.280 1117 S C -2.437 172.190 174.600 0.045 0.000 1.343 1117 S CA -0.816 57.396 58.200 0.020 0.000 1.036 1117 S CB 0.057 63.298 63.200 0.068 0.000 0.866 1117 S HN 0.010 nan 8.310 nan 0.000 0.526 1118 P HA -0.004 nan 4.420 nan 0.000 0.268 1118 P C -0.675 176.684 177.300 0.099 0.000 1.189 1118 P CA -0.219 62.924 63.100 0.071 0.000 0.771 1118 P CB 0.276 32.026 31.700 0.083 0.000 0.822 1119 L N 4.199 125.470 121.223 0.081 0.000 2.270 1119 L HA 0.169 4.510 4.340 0.002 0.000 0.286 1119 L C 0.883 177.820 176.870 0.112 0.000 1.059 1119 L CA 0.178 55.077 54.840 0.097 0.000 0.839 1119 L CB -0.470 41.620 42.059 0.051 0.000 1.221 1119 L HN 0.378 nan 8.230 nan 0.000 0.431 1120 L N 4.075 125.397 121.223 0.165 0.000 2.131 1120 L HA 0.149 4.490 4.340 0.002 0.000 0.210 1120 L C 0.993 177.972 176.870 0.181 0.000 1.092 1120 L CA 0.980 55.933 54.840 0.188 0.000 0.759 1120 L CB -0.303 41.889 42.059 0.222 0.000 0.903 1120 L HN 0.861 nan 8.230 nan 0.000 0.435 1121 G N -0.846 108.044 108.800 0.150 0.000 2.368 1121 G HA2 0.250 4.210 3.960 0.002 0.000 0.303 1121 G HA3 0.250 4.210 3.960 0.002 0.000 0.303 1121 G C -1.481 173.365 174.900 -0.090 0.000 1.590 1121 G CA -0.864 44.190 45.100 -0.077 0.000 0.938 1121 G HN -0.099 nan 8.290 nan 0.000 0.675 1122 I N 0.147 120.495 120.570 -0.370 0.000 2.441 1122 I HA 0.673 4.844 4.170 0.002 0.000 0.295 1122 I C -0.820 175.065 176.117 -0.387 0.000 0.994 1122 I CA -0.799 60.374 61.300 -0.212 0.000 1.144 1122 I CB 1.821 39.614 38.000 -0.345 0.000 1.314 1122 I HN 0.335 nan 8.210 nan 0.000 0.445 1123 F N 5.380 125.430 119.950 0.168 0.000 2.556 1123 F HA 0.572 5.100 4.527 0.001 0.000 0.314 1123 F C -0.298 175.744 175.800 0.403 0.000 1.106 1123 F CA -0.624 57.435 58.000 0.099 0.000 0.911 1123 F CB 1.622 40.553 39.000 -0.115 0.000 1.190 1123 F HN 0.390 nan 8.300 nan 0.000 0.448 1124 Y N -0.171 120.372 120.300 0.406 0.000 2.896 1124 Y HA 0.874 5.425 4.550 0.001 0.000 0.317 1124 Y C 0.578 176.717 175.900 0.398 0.000 1.444 1124 Y CA -1.353 57.030 58.100 0.472 0.000 1.084 1124 Y CB 0.230 38.937 38.460 0.411 0.000 1.382 1124 Y HN 0.945 nan 8.280 nan 0.000 0.471 1125 G N 0.684 109.834 108.800 0.582 0.000 2.582 1125 G HA2 -0.249 3.712 3.960 0.002 0.000 0.288 1125 G HA3 -0.249 3.712 3.960 0.002 0.000 0.288 1125 G C 0.390 175.485 174.900 0.324 0.000 1.247 1125 G CA 0.629 45.955 45.100 0.376 0.000 0.972 1125 G HN 1.208 nan 8.290 nan 0.000 0.557 1126 S N 0.913 116.709 115.700 0.159 0.000 2.733 1126 S HA 0.243 4.714 4.470 0.002 0.000 0.247 1126 S C 0.285 174.914 174.600 0.048 0.000 1.043 1126 S CA 0.021 58.325 58.200 0.174 0.000 1.066 1126 S CB 0.339 63.627 63.200 0.146 0.000 1.045 1126 S HN 0.637 nan 8.310 nan 0.000 0.586 1127 N N 1.968 120.596 118.700 -0.120 0.000 2.499 1127 N HA 0.290 5.031 4.740 0.002 0.000 0.281 1127 N C -0.608 174.667 175.510 -0.392 0.000 1.098 1127 N CA -0.255 52.678 53.050 -0.195 0.000 0.979 1127 N CB 0.467 38.839 38.487 -0.193 0.000 1.121 1127 N HN 0.197 nan 8.380 nan 0.000 0.466 1128 L N 3.372 124.444 121.223 -0.250 0.000 2.500 1128 L HA 0.138 4.479 4.340 0.002 0.000 0.272 1128 L C -1.674 174.938 176.870 -0.431 0.000 1.149 1128 L CA -1.205 53.454 54.840 -0.303 0.000 0.897 1128 L CB -0.016 41.999 42.059 -0.073 0.000 1.178 1128 L HN 0.271 nan 8.230 nan 0.000 0.473 1129 P HA 0.032 nan 4.420 nan 0.000 0.267 1129 P C -2.271 174.822 177.300 -0.345 0.000 1.195 1129 P CA -0.673 61.978 63.100 -0.748 0.000 0.773 1129 P CB -0.175 30.547 31.700 -1.630 0.000 0.837 1130 P HA 0.062 nan 4.420 nan 0.000 0.274 1130 P C -0.420 176.847 177.300 -0.054 0.000 1.264 1130 P CA -0.033 63.030 63.100 -0.062 0.000 0.795 1130 P CB 0.037 31.733 31.700 -0.007 0.000 1.064 1131 T N 1.291 115.819 114.554 -0.043 0.000 2.870 1131 T HA 0.220 4.571 4.350 0.002 0.000 0.300 1131 T C 0.378 175.007 174.700 -0.119 0.000 0.989 1131 T CA 0.041 62.058 62.100 -0.139 0.000 1.139 1131 T CB -0.327 68.436 68.868 -0.176 0.000 0.920 1131 T HN 0.097 nan 8.240 nan 0.000 0.537 1132 I N 4.376 124.863 120.570 -0.138 0.000 2.385 1132 I HA 0.424 4.595 4.170 0.002 0.000 0.294 1132 I C 0.013 176.060 176.117 -0.117 0.000 0.988 1132 I CA -0.826 60.428 61.300 -0.077 0.000 1.265 1132 I CB 0.995 38.979 38.000 -0.027 0.000 1.388 1132 I HN 0.429 nan 8.210 nan 0.000 0.480 1133 I N 4.292 124.811 120.570 -0.086 0.000 2.533 1133 I HA 0.305 4.476 4.170 0.002 0.000 0.290 1133 I C 0.597 176.622 176.117 -0.153 0.000 1.056 1133 I CA -0.354 60.874 61.300 -0.120 0.000 1.057 1133 I CB 1.886 39.807 38.000 -0.131 0.000 1.240 1133 I HN 0.635 nan 8.210 nan 0.000 0.423 1134 S N 4.332 119.949 115.700 -0.138 0.000 2.607 1134 S HA 0.428 4.899 4.470 0.002 0.000 0.272 1134 S C 0.237 174.654 174.600 -0.305 0.000 1.166 1134 S CA -0.222 57.919 58.200 -0.098 0.000 1.021 1134 S CB 0.761 63.962 63.200 0.002 0.000 1.113 1134 S HN 0.696 nan 8.310 nan 0.000 0.531 1135 H N -1.446 117.656 119.070 0.053 0.000 3.052 1135 H HA 0.604 5.161 4.556 0.002 0.000 0.257 1135 H C -0.092 175.233 175.328 -0.004 0.000 1.193 1135 H CA 0.047 56.101 56.048 0.010 0.000 1.072 1135 H CB 0.618 30.458 29.762 0.130 0.000 1.685 1135 H HN 0.466 nan 8.280 nan 0.000 0.630 1136 S N 0.066 115.838 115.700 0.121 0.000 2.752 1136 S HA 0.158 4.629 4.470 0.002 0.000 0.284 1136 S C -0.214 174.437 174.600 0.085 0.000 1.189 1136 S CA -0.653 57.618 58.200 0.118 0.000 0.835 1136 S CB 0.766 64.062 63.200 0.161 0.000 1.192 1136 S HN 0.472 nan 8.310 nan 0.000 0.506 1137 N N 0.869 119.638 118.700 0.116 0.000 2.270 1137 N HA 0.170 4.911 4.740 0.002 0.000 0.198 1137 N C -0.479 175.069 175.510 0.064 0.000 1.117 1137 N CA -0.057 53.043 53.050 0.084 0.000 0.845 1137 N CB 0.016 38.557 38.487 0.089 0.000 0.980 1137 N HN 0.316 nan 8.380 nan 0.000 0.486 1138 K N 0.634 121.074 120.400 0.067 0.000 2.207 1138 K HA 0.517 4.838 4.320 0.002 0.000 0.255 1138 K C -0.911 175.694 176.600 0.007 0.000 0.941 1138 K CA -0.610 55.688 56.287 0.018 0.000 0.825 1138 K CB 2.463 34.968 32.500 0.009 0.000 1.119 1138 K HN -0.025 nan 8.250 nan 0.000 0.430 1139 L N 1.821 123.019 121.223 -0.041 0.000 2.409 1139 L HA 0.502 4.843 4.340 0.002 0.000 0.262 1139 L C -1.667 175.226 176.870 0.038 0.000 0.992 1139 L CA -0.920 53.908 54.840 -0.020 0.000 0.817 1139 L CB 2.067 44.035 42.059 -0.152 0.000 1.350 1139 L HN 0.735 nan 8.230 nan 0.000 0.411 1140 W N 4.726 125.978 121.300 -0.080 0.000 2.781 1140 W HA 0.691 5.352 4.660 0.002 0.000 0.333 1140 W C -1.963 174.571 176.519 0.024 0.000 1.047 1140 W CA -0.334 56.985 57.345 -0.043 0.000 1.236 1140 W CB 1.233 30.673 29.460 -0.034 0.000 1.394 1140 W HN 0.179 nan 8.180 nan 0.000 0.466 1141 L N 5.742 126.553 121.223 -0.686 0.000 2.388 1141 L HA 0.592 4.933 4.340 0.002 0.000 0.264 1141 L C -0.613 175.862 176.870 -0.658 0.000 0.998 1141 L CA -1.286 53.285 54.840 -0.448 0.000 0.817 1141 L CB 2.334 44.297 42.059 -0.159 0.000 1.338 1141 L HN 0.366 nan 8.230 nan 0.000 0.414 1142 K N 2.267 122.487 120.400 -0.299 0.000 2.513 1142 K HA 0.432 4.753 4.320 0.002 0.000 0.251 1142 K C -2.057 174.633 176.600 0.148 0.000 0.939 1142 K CA -0.503 55.708 56.287 -0.127 0.000 0.793 1142 K CB 2.493 34.906 32.500 -0.145 0.000 1.241 1142 K HN 0.448 nan 8.250 nan 0.000 0.431 1143 F N 4.833 124.802 119.950 0.031 0.000 2.403 1143 F HA 0.462 4.990 4.527 0.001 0.000 0.355 1143 F C -0.867 174.781 175.800 -0.254 0.000 1.119 1143 F CA -0.634 57.333 58.000 -0.055 0.000 1.007 1143 F CB 0.899 40.036 39.000 0.228 0.000 1.194 1143 F HN 0.213 nan 8.300 nan 0.000 0.443 1144 K N 3.736 123.363 120.400 -1.287 0.000 2.164 1144 K HA 0.519 4.840 4.320 0.002 0.000 0.258 1144 K C -0.867 175.017 176.600 -1.193 0.000 0.951 1144 K CA -0.415 55.209 56.287 -1.105 0.000 0.844 1144 K CB 1.866 33.783 32.500 -0.973 0.000 1.099 1144 K HN 0.743 nan 8.250 nan 0.000 0.435 1145 S N 0.686 116.002 115.700 -0.640 0.000 2.536 1145 S HA 0.510 4.981 4.470 0.002 0.000 0.287 1145 S C -0.543 174.018 174.600 -0.066 0.000 1.101 1145 S CA -0.929 57.072 58.200 -0.332 0.000 0.950 1145 S CB 1.662 64.769 63.200 -0.154 0.000 1.056 1145 S HN 0.527 nan 8.310 nan 0.000 0.481 1146 D N 1.565 121.976 120.400 0.019 0.000 2.511 1146 D HA 0.266 4.907 4.640 0.002 0.000 0.276 1146 D C 0.977 177.329 176.300 0.087 0.000 1.220 1146 D CA -0.607 53.431 54.000 0.064 0.000 1.077 1146 D CB -0.065 40.786 40.800 0.084 0.000 1.126 1146 D HN 0.436 nan 8.370 nan 0.000 0.583 1147 Q N -0.956 118.889 119.800 0.076 0.000 2.197 1147 Q HA 0.056 4.397 4.340 0.002 0.000 0.207 1147 Q C 0.065 176.108 176.000 0.072 0.000 0.984 1147 Q CA 1.286 57.131 55.803 0.070 0.000 0.869 1147 Q CB -0.143 28.627 28.738 0.053 0.000 0.906 1147 Q HN 0.430 nan 8.270 nan 0.000 0.426 1148 I N -0.677 119.939 120.570 0.076 0.000 3.074 1148 I HA 0.280 4.451 4.170 0.002 0.000 0.310 1148 I C -1.078 175.090 176.117 0.085 0.000 1.153 1148 I CA -0.924 60.417 61.300 0.067 0.000 0.993 1148 I CB 2.142 40.172 38.000 0.049 0.000 1.237 1148 I HN 0.003 nan 8.210 nan 0.000 0.443 1149 D N 1.118 121.557 120.400 0.065 0.000 8.877 1149 D HA -0.086 4.555 4.640 0.002 0.000 0.270 1149 D C -1.043 175.301 176.300 0.073 0.000 2.474 1149 D CA 0.863 54.901 54.000 0.062 0.000 2.317 1149 D CB 0.117 40.967 40.800 0.083 0.000 0.943 1149 D HN 0.647 nan 8.370 nan 0.000 0.652 1150 T N 2.981 117.514 114.554 -0.035 0.000 2.903 1150 T HA 0.828 5.179 4.350 0.002 0.000 0.299 1150 T C -0.322 174.162 174.700 -0.361 0.000 1.093 1150 T CA -0.904 61.041 62.100 -0.258 0.000 1.002 1150 T CB 1.931 70.661 68.868 -0.230 0.000 1.127 1150 T HN 0.308 nan 8.240 nan 0.000 0.488 1151 R N 0.273 120.318 120.500 -0.758 0.000 3.145 1151 R HA 0.503 4.844 4.340 0.002 0.000 0.253 1151 R C 1.473 177.524 176.300 -0.415 0.000 1.289 1151 R CA -0.483 55.394 56.100 -0.372 0.000 1.030 1151 R CB -0.124 30.143 30.300 -0.055 0.000 1.387 1151 R HN 0.686 nan 8.270 nan 0.000 0.466 1152 S N -0.762 114.868 115.700 -0.116 0.000 2.406 1152 S HA 0.151 4.621 4.470 0.002 0.000 0.224 1152 S C 1.156 175.864 174.600 0.180 0.000 1.030 1152 S CA 1.011 59.177 58.200 -0.057 0.000 0.958 1152 S CB -0.122 63.047 63.200 -0.051 0.000 0.811 1152 S HN 1.064 nan 8.310 nan 0.000 0.489 1153 G N 1.288 110.277 108.800 0.315 0.000 2.466 1153 G HA2 0.063 4.024 3.960 0.002 0.000 0.218 1153 G HA3 0.063 4.024 3.960 0.002 0.000 0.218 1153 G C -0.486 174.497 174.900 0.137 0.000 1.237 1153 G CA -0.332 44.945 45.100 0.295 0.000 0.954 1153 G HN 1.302 nan 8.290 nan 0.000 0.580 1154 F N -1.163 118.636 119.950 -0.253 0.000 2.650 1154 F HA 0.916 5.444 4.527 0.001 0.000 0.320 1154 F C -0.083 175.179 175.800 -0.897 0.000 1.091 1154 F CA -0.607 57.120 58.000 -0.455 0.000 0.962 1154 F CB 1.934 40.654 39.000 -0.468 0.000 1.363 1154 F HN 1.294 nan 8.300 nan 0.000 0.482 1155 S N 1.142 116.477 115.700 -0.608 0.000 2.572 1155 S HA 0.876 5.346 4.470 0.002 0.000 0.274 1155 S C -1.415 172.929 174.600 -0.426 0.000 1.150 1155 S CA 0.152 57.885 58.200 -0.777 0.000 0.944 1155 S CB 1.082 63.696 63.200 -0.977 0.000 1.071 1155 S HN 1.715 nan 8.310 nan 0.000 0.479 1156 A N 3.048 125.474 122.820 -0.657 0.000 2.594 1156 A HA 0.910 5.231 4.320 0.002 0.000 0.291 1156 A C -1.469 176.042 177.584 -0.122 0.000 1.105 1156 A CA -0.818 50.891 52.037 -0.547 0.000 0.694 1156 A CB 0.966 19.189 19.000 -1.295 0.000 1.291 1156 A HN 1.534 nan 8.150 nan 0.000 0.410 1157 Y N -1.522 118.773 120.300 -0.009 0.000 2.693 1157 Y HA 0.949 5.500 4.550 0.001 0.000 0.331 1157 Y C -0.940 175.190 175.900 0.383 0.000 1.092 1157 Y CA -1.559 56.648 58.100 0.179 0.000 1.131 1157 Y CB 1.264 39.688 38.460 -0.059 0.000 1.318 1157 Y HN 0.875 nan 8.280 nan 0.000 0.510 1158 W N -0.225 121.142 121.300 0.111 0.000 3.296 1158 W HA 0.466 5.127 4.660 0.001 0.000 0.314 1158 W C -2.306 174.273 176.519 0.100 0.000 1.238 1158 W CA -1.136 56.218 57.345 0.015 0.000 1.193 1158 W CB 1.135 30.542 29.460 -0.088 0.000 1.383 1158 W HN 0.464 nan 8.180 nan 0.000 0.545 1159 D N 1.129 121.685 120.400 0.260 0.000 2.303 1159 D HA 0.398 5.039 4.640 0.002 0.000 0.236 1159 D C 0.661 177.060 176.300 0.166 0.000 1.068 1159 D CA -0.363 53.729 54.000 0.152 0.000 0.830 1159 D CB 1.903 42.797 40.800 0.156 0.000 1.109 1159 D HN 0.655 nan 8.370 nan 0.000 0.496 1160 G N 1.046 109.923 108.800 0.128 0.000 3.939 1160 G HA2 0.335 4.296 3.960 0.002 0.000 0.268 1160 G HA3 0.335 4.296 3.960 0.002 0.000 0.268 1160 G C -0.297 174.643 174.900 0.066 0.000 1.172 1160 G CA -0.371 44.805 45.100 0.127 0.000 1.614 1160 G HN 0.245 nan 8.290 nan 0.000 0.639 1161 S N -0.379 115.354 115.700 0.055 0.000 2.614 1161 S HA 0.702 5.172 4.470 0.002 0.000 0.288 1161 S C 0.271 174.888 174.600 0.027 0.000 1.137 1161 S CA -0.246 57.974 58.200 0.034 0.000 0.992 1161 S CB 2.059 65.277 63.200 0.030 0.000 1.026 1161 S HN 0.454 nan 8.310 nan 0.000 0.486 1162 S N 1.752 117.462 115.700 0.017 0.000 2.013 1162 S HA -0.089 4.382 4.470 0.002 0.000 0.101 1162 S C 0.659 175.264 174.600 0.008 0.000 0.534 1162 S CA 1.007 59.215 58.200 0.013 0.000 1.602 1162 S CB -1.081 62.125 63.200 0.011 0.000 0.832 1162 S HN 1.159 nan 8.310 nan 0.000 0.378 1163 T N 0.829 115.382 114.554 -0.000 0.000 8.089 1163 T HA -0.150 4.201 4.350 0.002 0.000 0.315 1163 T C 0.885 175.576 174.700 -0.015 0.000 2.025 1163 T CA 1.715 63.809 62.100 -0.011 0.000 3.021 1163 T CB -2.217 66.647 68.868 -0.005 0.000 2.356 1163 T HN 1.361 nan 8.240 nan 0.000 1.220 1164 G N -0.110 108.684 108.800 -0.010 0.000 2.634 1164 G HA2 0.468 4.429 3.960 0.002 0.000 0.255 1164 G HA3 0.468 4.429 3.960 0.002 0.000 0.255 1164 G C 0.336 175.200 174.900 -0.059 0.000 1.205 1164 G CA 0.099 45.188 45.100 -0.018 0.000 0.884 1164 G HN 1.539 nan 8.290 nan 0.000 0.549 1165 c N -0.623 117.911 118.600 -0.110 0.000 3.241 1165 c HA 0.881 5.452 4.570 0.002 0.000 0.348 1165 c C 0.492 174.366 174.090 -0.360 0.000 1.180 1165 c CA 0.778 57.002 56.329 -0.174 0.000 1.273 1165 c CB 0.829 43.265 42.510 -0.124 0.000 1.620 1165 c HN 2.813 nan 8.230 nan 0.000 0.510 1166 G N 1.758 110.282 108.800 -0.459 0.000 2.660 1166 G HA2 0.565 4.525 3.960 0.002 0.000 0.247 1166 G HA3 0.565 4.525 3.960 0.002 0.000 0.247 1166 G C 0.024 174.839 174.900 -0.142 0.000 1.328 1166 G CA 0.284 44.924 45.100 -0.767 0.000 0.884 1166 G HN 3.054 nan 8.290 nan 0.000 0.531 1167 G N -2.150 106.688 108.800 0.063 0.000 2.490 1167 G HA2 0.550 4.511 3.960 0.002 0.000 0.308 1167 G HA3 0.550 4.511 3.960 0.002 0.000 0.308 1167 G C 0.083 175.090 174.900 0.179 0.000 1.286 1167 G CA 0.598 45.796 45.100 0.164 0.000 0.825 1167 G HN 0.932 nan 8.290 nan 0.000 0.479 1168 N N -0.591 118.193 118.700 0.140 0.000 2.398 1168 N HA 0.103 4.844 4.740 0.002 0.000 0.188 1168 N C 0.569 176.025 175.510 -0.089 0.000 1.122 1168 N CA -0.110 52.988 53.050 0.080 0.000 0.866 1168 N CB -0.243 38.295 38.487 0.085 0.000 0.970 1168 N HN 0.404 nan 8.380 nan 0.000 0.462 1169 L N 0.922 122.125 121.223 -0.033 0.000 3.469 1169 L HA -0.239 4.102 4.340 0.002 0.000 0.552 1169 L C 1.245 177.999 176.870 -0.194 0.000 1.007 1169 L CA 0.764 55.517 54.840 -0.144 0.000 1.100 1169 L CB -1.404 40.421 42.059 -0.390 0.000 0.965 1169 L HN 0.057 nan 8.230 nan 0.000 0.634 1170 T N -1.026 113.481 114.554 -0.078 0.000 3.023 1170 T HA 0.103 4.453 4.350 0.002 0.000 0.253 1170 T C 0.833 175.537 174.700 0.008 0.000 1.038 1170 T CA 0.731 62.788 62.100 -0.072 0.000 0.962 1170 T CB 0.009 68.841 68.868 -0.060 0.000 1.018 1170 T HN 0.777 nan 8.240 nan 0.000 0.521 1171 T N -0.198 114.389 114.554 0.055 0.000 2.889 1171 T HA 0.302 4.653 4.350 0.002 0.000 0.291 1171 T C 1.287 176.085 174.700 0.163 0.000 0.995 1171 T CA -0.535 61.610 62.100 0.074 0.000 1.092 1171 T CB 1.450 70.337 68.868 0.032 0.000 0.954 1171 T HN -0.105 nan 8.240 nan 0.000 0.506 1172 S N 1.623 117.408 115.700 0.142 0.000 2.528 1172 S HA 0.067 4.538 4.470 0.002 0.000 0.244 1172 S C 0.937 175.641 174.600 0.174 0.000 0.982 1172 S CA 0.665 59.000 58.200 0.225 0.000 0.953 1172 S CB -0.642 62.625 63.200 0.112 0.000 0.754 1172 S HN 1.182 nan 8.310 nan 0.000 0.529 1173 S N -1.359 114.314 115.700 -0.045 0.000 2.580 1173 S HA 0.659 5.130 4.470 0.002 0.000 0.281 1173 S C -0.603 173.627 174.600 -0.616 0.000 1.129 1173 S CA -0.192 57.738 58.200 -0.451 0.000 0.862 1173 S CB 1.171 64.225 63.200 -0.243 0.000 1.090 1173 S HN 0.537 nan 8.310 nan 0.000 0.451 1174 G N 0.690 108.823 108.800 -1.112 0.000 2.428 1174 G HA2 0.653 4.613 3.960 0.002 0.000 0.305 1174 G HA3 0.653 4.613 3.960 0.002 0.000 0.305 1174 G C -1.388 173.305 174.900 -0.345 0.000 1.260 1174 G CA -0.083 44.682 45.100 -0.558 0.000 0.853 1174 G HN 1.180 nan 8.290 nan 0.000 0.480 1175 T N 0.437 115.030 114.554 0.064 0.000 3.041 1175 T HA 0.652 5.003 4.350 0.002 0.000 0.321 1175 T C -1.401 173.466 174.700 0.279 0.000 1.184 1175 T CA -0.276 61.918 62.100 0.157 0.000 1.050 1175 T CB 1.435 70.308 68.868 0.009 0.000 1.159 1175 T HN 1.247 nan 8.240 nan 0.000 0.469 1176 F N 1.227 121.071 119.950 -0.177 0.000 2.692 1176 F HA 0.930 5.458 4.527 0.002 0.000 0.320 1176 F C -1.985 173.570 175.800 -0.408 0.000 1.123 1176 F CA -1.944 55.871 58.000 -0.308 0.000 0.961 1176 F CB 0.809 39.504 39.000 -0.508 0.000 1.383 1176 F HN 0.273 nan 8.300 nan 0.000 0.483 1177 I N 1.911 122.241 120.570 -0.400 0.000 2.534 1177 I HA 0.267 4.438 4.170 0.002 0.000 0.288 1177 I C -0.414 175.411 176.117 -0.487 0.000 1.077 1177 I CA -0.777 60.209 61.300 -0.524 0.000 1.051 1177 I CB 1.719 39.645 38.000 -0.124 0.000 1.234 1177 I HN 0.829 nan 8.210 nan 0.000 0.425 1178 S N 7.203 122.204 115.700 -1.164 0.000 2.525 1178 S HA 0.292 4.763 4.470 0.002 0.000 0.285 1178 S C -2.436 172.058 174.600 -0.177 0.000 1.283 1178 S CA -0.751 57.032 58.200 -0.695 0.000 1.072 1178 S CB -0.112 62.486 63.200 -1.004 0.000 0.867 1178 S HN 0.359 nan 8.310 nan 0.000 0.492 1179 P HA -0.086 nan 4.420 nan 0.000 0.272 1179 P C 0.749 178.059 177.300 0.016 0.000 1.194 1179 P CA 0.649 63.787 63.100 0.063 0.000 0.777 1179 P CB 0.153 31.914 31.700 0.100 0.000 0.814 1180 N N -2.108 116.596 118.700 0.006 0.000 2.922 1180 N HA -0.283 4.458 4.740 0.002 0.000 0.224 1180 N C 0.233 175.816 175.510 0.121 0.000 0.833 1180 N CA 1.151 54.214 53.050 0.022 0.000 1.103 1180 N CB -2.003 36.363 38.487 -0.202 0.000 1.000 1180 N HN 0.535 nan 8.380 nan 0.000 0.621 1181 Y N 3.211 123.471 120.300 -0.067 0.000 3.073 1181 Y HA -0.047 4.504 4.550 0.001 0.000 0.343 1181 Y C -1.213 174.574 175.900 -0.187 0.000 1.274 1181 Y CA -0.009 58.000 58.100 -0.151 0.000 1.554 1181 Y CB 0.513 38.845 38.460 -0.213 0.000 1.250 1181 Y HN 0.063 nan 8.280 nan 0.000 0.622 1182 P HA -0.047 nan 4.420 nan 0.000 0.242 1182 P C -0.278 176.663 177.300 -0.598 0.000 1.197 1182 P CA 0.614 62.881 63.100 -1.388 0.000 0.765 1182 P CB 0.046 31.011 31.700 -1.224 0.000 0.936 1183 M N 0.846 120.211 119.600 -0.393 0.000 2.233 1183 M HA 0.285 4.766 4.480 0.002 0.000 0.350 1183 M C -2.184 174.057 176.300 -0.100 0.000 1.176 1183 M CA -2.868 52.316 55.300 -0.194 0.000 1.150 1183 M CB -0.501 32.050 32.600 -0.083 0.000 1.530 1183 M HN -0.295 nan 8.290 nan 0.000 0.459 1184 P HA -0.086 nan 4.420 nan 0.000 0.264 1184 P C -1.288 175.889 177.300 -0.205 0.000 1.173 1184 P CA 0.513 63.509 63.100 -0.173 0.000 0.761 1184 P CB -0.101 31.492 31.700 -0.178 0.000 0.794 1185 Y N 1.742 122.020 120.300 -0.038 0.000 2.282 1185 Y HA 0.420 4.971 4.550 0.002 0.000 0.335 1185 Y C 0.438 176.291 175.900 -0.078 0.000 1.335 1185 Y CA -0.823 57.205 58.100 -0.120 0.000 1.529 1185 Y CB -0.466 37.984 38.460 -0.016 0.000 1.429 1185 Y HN 0.286 nan 8.280 nan 0.000 0.563 1186 Y N -0.003 120.487 120.300 0.317 0.000 2.298 1186 Y HA 0.254 4.805 4.550 0.001 0.000 0.329 1186 Y C 0.412 176.485 175.900 0.287 0.000 1.293 1186 Y CA -0.894 57.317 58.100 0.186 0.000 1.388 1186 Y CB 0.142 38.635 38.460 0.053 0.000 1.309 1186 Y HN 0.744 nan 8.280 nan 0.000 0.544 1187 H N -2.625 116.676 119.070 0.386 0.000 2.544 1187 H HA 0.421 4.978 4.556 0.002 0.000 0.342 1187 H C 0.615 176.066 175.328 0.204 0.000 1.185 1187 H CA -0.904 55.317 56.048 0.288 0.000 1.264 1187 H CB 1.169 31.061 29.762 0.217 0.000 1.607 1187 H HN 0.582 nan 8.280 nan 0.000 0.550 1188 S N -0.255 115.626 115.700 0.302 0.000 3.402 1188 S HA -0.273 4.198 4.470 0.002 0.000 0.329 1188 S C 0.049 174.705 174.600 0.093 0.000 1.194 1188 S CA 0.728 59.044 58.200 0.194 0.000 0.951 1188 S CB -2.783 60.556 63.200 0.231 0.000 0.975 1188 S HN 1.409 nan 8.310 nan 0.000 0.574 1189 S N -0.309 115.439 115.700 0.080 0.000 2.608 1189 S HA 0.734 5.205 4.470 0.002 0.000 0.291 1189 S C -0.638 173.939 174.600 -0.039 0.000 1.146 1189 S CA -0.771 57.434 58.200 0.009 0.000 1.043 1189 S CB 1.656 64.867 63.200 0.019 0.000 1.037 1189 S HN 0.499 nan 8.310 nan 0.000 0.520 1190 E N 0.995 121.108 120.200 -0.144 0.000 2.207 1190 E HA 0.408 4.759 4.350 0.002 0.000 0.250 1190 E C -1.187 174.982 176.600 -0.719 0.000 0.890 1190 E CA -0.548 55.664 56.400 -0.314 0.000 0.749 1190 E CB 1.270 30.865 29.700 -0.174 0.000 1.193 1190 E HN 0.619 nan 8.360 nan 0.000 0.423 1191 c N 2.771 121.020 118.600 -0.586 0.000 2.364 1191 c HA 0.559 5.130 4.570 0.002 0.000 0.356 1191 c C -0.779 172.868 174.090 -0.738 0.000 1.201 1191 c CA -0.496 55.438 56.329 -0.659 0.000 2.227 1191 c CB -0.197 42.108 42.510 -0.342 0.000 2.387 1191 c HN 0.625 nan 8.230 nan 0.000 0.546 1192 Y N -0.011 119.978 120.300 -0.518 0.000 2.504 1192 Y HA 0.595 5.146 4.550 0.001 0.000 0.344 1192 Y C -0.879 174.598 175.900 -0.704 0.000 1.023 1192 Y CA -1.230 56.614 58.100 -0.425 0.000 1.020 1192 Y CB 0.874 39.260 38.460 -0.124 0.000 1.282 1192 Y HN 0.782 nan 8.280 nan 0.000 0.454 1193 W N 1.937 123.127 121.300 -0.183 0.000 3.259 1193 W HA 0.482 5.143 4.660 0.001 0.000 0.331 1193 W C -1.708 174.593 176.519 -0.363 0.000 1.144 1193 W CA -1.584 55.626 57.345 -0.226 0.000 1.227 1193 W CB 0.935 30.231 29.460 -0.272 0.000 1.371 1193 W HN 0.546 nan 8.180 nan 0.000 0.491 1194 W N 5.544 126.733 121.300 -0.185 0.000 2.362 1194 W HA 0.690 5.351 4.660 0.002 0.000 0.316 1194 W C -1.490 174.909 176.519 -0.200 0.000 1.024 1194 W CA -2.345 54.912 57.345 -0.147 0.000 1.270 1194 W CB 0.801 30.293 29.460 0.053 0.000 1.273 1194 W HN 0.330 nan 8.180 nan 0.000 0.424 1195 L N 7.219 128.279 121.223 -0.272 0.000 2.283 1195 L HA 0.385 4.726 4.340 0.002 0.000 0.287 1195 L C 0.236 176.795 176.870 -0.518 0.000 1.073 1195 L CA -0.249 54.141 54.840 -0.750 0.000 0.822 1195 L CB 0.517 41.804 42.059 -1.288 0.000 1.186 1195 L HN 0.401 nan 8.230 nan 0.000 0.436 1196 K N 2.199 122.288 120.400 -0.518 0.000 2.553 1196 K HA 0.443 4.764 4.320 0.002 0.000 0.250 1196 K C -0.385 176.244 176.600 0.048 0.000 0.953 1196 K CA -0.240 56.035 56.287 -0.020 0.000 0.800 1196 K CB 1.967 34.248 32.500 -0.364 0.000 1.243 1196 K HN 0.628 nan 8.250 nan 0.000 0.435 1197 S N 1.523 117.433 115.700 0.350 0.000 4.002 1197 S HA 0.252 4.723 4.470 0.002 0.000 0.167 1197 S C -0.345 174.252 174.600 -0.005 0.000 0.914 1197 S CA -0.285 57.995 58.200 0.134 0.000 1.110 1197 S CB 0.087 63.411 63.200 0.206 0.000 1.714 1197 S HN 0.377 nan 8.310 nan 0.000 0.858 1198 S N 2.860 118.547 115.700 -0.021 0.000 2.505 1198 S HA 0.411 4.882 4.470 0.002 0.000 0.276 1198 S C -0.747 173.810 174.600 -0.072 0.000 1.274 1198 S CA -0.370 57.755 58.200 -0.125 0.000 1.053 1198 S CB -0.099 63.062 63.200 -0.065 0.000 0.919 1198 S HN 0.478 nan 8.310 nan 0.000 0.490 1199 H N 1.480 120.496 119.070 -0.090 0.000 3.004 1199 H HA 0.269 4.825 4.556 0.001 0.000 0.316 1199 H C 1.497 176.774 175.328 -0.085 0.000 1.014 1199 H CA 0.827 56.821 56.048 -0.090 0.000 1.454 1199 H CB -0.082 29.603 29.762 -0.128 0.000 1.472 1199 H HN 1.037 nan 8.280 nan 0.000 0.571 1200 G N 2.830 111.703 108.800 0.121 0.000 2.176 1200 G HA2 -0.250 3.710 3.960 0.002 0.000 0.253 1200 G HA3 -0.250 3.710 3.960 0.002 0.000 0.253 1200 G C -0.182 174.818 174.900 0.166 0.000 0.979 1200 G CA 0.187 45.347 45.100 0.100 0.000 0.641 1200 G HN 0.649 nan 8.290 nan 0.000 0.530 1201 S N 0.008 115.784 115.700 0.126 0.000 2.532 1201 S HA 0.819 5.290 4.470 0.002 0.000 0.299 1201 S C 0.281 174.818 174.600 -0.106 0.000 1.105 1201 S CA 0.025 58.331 58.200 0.178 0.000 1.018 1201 S CB 2.067 65.413 63.200 0.243 0.000 1.021 1201 S HN 1.575 nan 8.310 nan 0.000 0.483 1202 A N 2.549 125.337 122.820 -0.053 0.000 2.371 1202 A HA 0.699 5.020 4.320 0.002 0.000 0.257 1202 A C -0.375 177.118 177.584 -0.151 0.000 1.089 1202 A CA -0.330 51.650 52.037 -0.096 0.000 0.794 1202 A CB -0.104 18.915 19.000 0.032 0.000 1.029 1202 A HN 0.693 nan 8.150 nan 0.000 0.488 1203 F N 0.218 120.242 119.950 0.124 0.000 2.378 1203 F HA 0.460 4.987 4.527 0.001 0.000 0.319 1203 F C 1.064 176.930 175.800 0.109 0.000 1.155 1203 F CA 0.337 58.412 58.000 0.125 0.000 1.157 1203 F CB 1.036 40.102 39.000 0.110 0.000 1.252 1203 F HN 0.715 nan 8.300 nan 0.000 0.550 1204 E N 1.575 121.980 120.200 0.342 0.000 2.321 1204 E HA 0.412 4.763 4.350 0.002 0.000 0.278 1204 E C -1.991 174.713 176.600 0.173 0.000 0.902 1204 E CA -0.828 55.696 56.400 0.206 0.000 0.758 1204 E CB 1.795 31.578 29.700 0.138 0.000 1.213 1204 E HN 0.397 nan 8.360 nan 0.000 0.426 1205 L N 1.714 123.001 121.223 0.107 0.000 2.416 1205 L HA 0.647 4.988 4.340 0.002 0.000 0.263 1205 L C 0.037 176.877 176.870 -0.049 0.000 1.065 1205 L CA -0.436 54.404 54.840 0.000 0.000 0.798 1205 L CB 1.262 43.295 42.059 -0.044 0.000 1.267 1205 L HN 0.922 nan 8.230 nan 0.000 0.467 1206 E N -0.316 119.721 120.200 -0.273 0.000 2.405 1206 E HA 0.349 4.700 4.350 0.002 0.000 0.283 1206 E C -2.070 174.266 176.600 -0.441 0.000 1.140 1206 E CA -0.509 55.809 56.400 -0.137 0.000 0.904 1206 E CB 1.746 31.427 29.700 -0.031 0.000 1.209 1206 E HN 0.269 nan 8.360 nan 0.000 0.428 1207 F N 1.923 121.881 119.950 0.013 0.000 2.539 1207 F HA 0.387 4.915 4.527 0.002 0.000 0.318 1207 F C 0.972 176.780 175.800 0.014 0.000 1.135 1207 F CA -0.923 57.078 58.000 0.001 0.000 0.915 1207 F CB 1.564 40.597 39.000 0.056 0.000 1.176 1207 F HN 0.169 nan 8.300 nan 0.000 0.440 1208 K N 1.172 121.648 120.400 0.127 0.000 2.551 1208 K HA 0.072 4.393 4.320 0.002 0.000 0.192 1208 K C -0.539 176.139 176.600 0.129 0.000 1.027 1208 K CA 0.516 56.862 56.287 0.099 0.000 1.059 1208 K CB -0.232 32.295 32.500 0.045 0.000 0.831 1208 K HN 0.589 nan 8.250 nan 0.000 0.508 1209 D N -0.788 119.725 120.400 0.188 0.000 2.085 1209 D HA 0.083 4.724 4.640 0.002 0.000 0.147 1209 D C -1.803 174.604 176.300 0.179 0.000 1.121 1209 D CA -0.316 53.783 54.000 0.165 0.000 0.941 1209 D CB -0.052 40.834 40.800 0.144 0.000 2.846 1209 D HN -0.081 nan 8.370 nan 0.000 0.517 1210 F N 3.997 123.981 119.950 0.055 0.000 2.540 1210 F HA 0.556 5.083 4.527 0.002 0.000 0.317 1210 F C -1.006 174.850 175.800 0.093 0.000 1.104 1210 F CA -0.414 57.582 58.000 -0.006 0.000 0.913 1210 F CB 1.745 40.591 39.000 -0.256 0.000 1.170 1210 F HN 0.328 nan 8.300 nan 0.000 0.450 1211 H N 7.233 126.530 119.070 0.378 0.000 3.163 1211 H HA 0.526 5.083 4.556 0.002 0.000 0.322 1211 H C -1.978 173.531 175.328 0.302 0.000 1.047 1211 H CA -0.304 55.927 56.048 0.305 0.000 1.418 1211 H CB 1.370 31.176 29.762 0.074 0.000 2.016 1211 H HN 0.762 nan 8.280 nan 0.000 0.454 1212 L N 1.869 123.035 121.223 -0.095 0.000 2.801 1212 L HA 0.245 4.586 4.340 0.002 0.000 0.264 1212 L C -0.249 176.618 176.870 -0.006 0.000 1.086 1212 L CA -1.042 53.854 54.840 0.094 0.000 0.920 1212 L CB 2.170 44.411 42.059 0.304 0.000 1.529 1212 L HN 0.573 nan 8.230 nan 0.000 0.399 1213 E N 0.932 121.221 120.200 0.149 0.000 2.406 1213 E HA 0.019 4.370 4.350 0.002 0.000 0.258 1213 E C -0.775 175.917 176.600 0.153 0.000 1.043 1213 E CA 0.039 56.531 56.400 0.153 0.000 0.929 1213 E CB 0.230 30.020 29.700 0.150 0.000 0.969 1213 E HN 0.287 nan 8.360 nan 0.000 0.462 1214 H N 3.355 122.467 119.070 0.069 0.000 2.897 1214 H HA -0.009 4.548 4.556 0.002 0.000 0.347 1214 H C -0.793 174.625 175.328 0.150 0.000 1.068 1214 H CA 0.729 56.820 56.048 0.072 0.000 1.426 1214 H CB 0.389 30.187 29.762 0.059 0.000 1.410 1214 H HN 0.512 nan 8.280 nan 0.000 0.597 1215 H N 5.258 123.963 119.070 -0.608 0.000 3.128 1215 H HA 0.206 4.763 4.556 0.002 0.000 0.336 1215 H C -2.892 172.180 175.328 -0.427 0.000 1.026 1215 H CA -2.011 53.786 56.048 -0.419 0.000 1.376 1215 H CB 1.434 31.093 29.762 -0.170 0.000 1.882 1215 H HN 0.590 nan 8.280 nan 0.000 0.479 1216 P HA -0.027 nan 4.420 nan 0.000 0.264 1216 P C 0.491 177.342 177.300 -0.748 0.000 1.183 1216 P CA 0.647 63.396 63.100 -0.586 0.000 0.763 1216 P CB 0.422 31.870 31.700 -0.419 0.000 0.807 1217 N N 0.732 119.213 118.700 -0.366 0.000 2.946 1217 N HA -0.222 4.519 4.740 0.002 0.000 0.228 1217 N C -0.832 174.623 175.510 -0.091 0.000 0.873 1217 N CA 1.253 54.170 53.050 -0.220 0.000 1.029 1217 N CB -1.741 36.626 38.487 -0.199 0.000 1.047 1217 N HN 0.597 nan 8.380 nan 0.000 0.612 1218 c N -3.024 115.568 118.600 -0.012 0.000 0.180 1218 c HA -0.036 4.535 4.570 0.002 0.000 0.020 1218 c C 1.183 175.400 174.090 0.212 0.000 0.174 1218 c CA 1.180 57.636 56.329 0.213 0.000 0.540 1218 c CB -1.451 41.079 42.510 0.034 0.000 3.209 1218 c HN 0.757 nan 8.230 nan 0.000 1.116 1219 T N 0.868 115.449 114.554 0.045 0.000 5.063 1219 T HA -0.011 4.340 4.350 0.002 0.000 0.304 1219 T C 1.007 175.550 174.700 -0.262 0.000 1.004 1219 T CA 0.457 62.410 62.100 -0.243 0.000 0.503 1219 T CB -0.593 68.171 68.868 -0.173 0.000 0.746 1219 T HN 0.607 nan 8.240 nan 0.000 0.503 1220 L N 0.838 121.915 121.223 -0.244 0.000 1.960 1220 L HA 0.286 4.627 4.340 0.002 0.000 0.209 1220 L C 0.090 177.030 176.870 0.117 0.000 1.090 1220 L CA 1.233 56.002 54.840 -0.119 0.000 0.759 1220 L CB -0.254 41.720 42.059 -0.141 0.000 0.892 1220 L HN 0.145 nan 8.230 nan 0.000 0.436 1221 D N -1.050 119.467 120.400 0.195 0.000 2.502 1221 D HA 0.497 5.138 4.640 0.002 0.000 0.249 1221 D C -1.082 175.420 176.300 0.336 0.000 1.092 1221 D CA -0.271 53.905 54.000 0.293 0.000 0.839 1221 D CB 1.342 42.281 40.800 0.231 0.000 1.264 1221 D HN 0.199 nan 8.370 nan 0.000 0.511 1222 Y N -0.533 119.803 120.300 0.060 0.000 2.655 1222 Y HA 0.676 5.227 4.550 0.002 0.000 0.336 1222 Y C -1.778 174.171 175.900 0.082 0.000 1.154 1222 Y CA -1.492 56.647 58.100 0.066 0.000 1.055 1222 Y CB 1.784 40.273 38.460 0.048 0.000 1.295 1222 Y HN 0.280 nan 8.280 nan 0.000 0.465 1223 L N 2.772 124.009 121.223 0.025 0.000 2.406 1223 L HA 0.769 5.110 4.340 0.002 0.000 0.270 1223 L C -1.162 175.715 176.870 0.012 0.000 0.982 1223 L CA -0.758 54.043 54.840 -0.064 0.000 0.843 1223 L CB 1.374 43.409 42.059 -0.039 0.000 1.225 1223 L HN 1.017 nan 8.230 nan 0.000 0.412 1224 A N 4.795 127.633 122.820 0.031 0.000 2.260 1224 A HA 0.577 4.898 4.320 0.002 0.000 0.308 1224 A C -0.647 176.942 177.584 0.008 0.000 1.254 1224 A CA -0.293 51.752 52.037 0.014 0.000 0.874 1224 A CB 1.519 20.560 19.000 0.069 0.000 1.153 1224 A HN 0.480 nan 8.150 nan 0.000 0.527 1225 V N 2.828 122.695 119.914 -0.078 0.000 2.837 1225 V HA 0.628 4.749 4.120 0.002 0.000 0.310 1225 V C -1.315 174.704 176.094 -0.125 0.000 1.059 1225 V CA -0.229 62.083 62.300 0.020 0.000 1.004 1225 V CB 1.509 33.368 31.823 0.060 0.000 1.045 1225 V HN 0.764 nan 8.190 nan 0.000 0.465 1226 Y N 2.117 122.538 120.300 0.202 0.000 2.301 1226 Y HA 0.272 4.823 4.550 0.002 0.000 0.325 1226 Y C -0.171 175.846 175.900 0.196 0.000 1.103 1226 Y CA -1.193 57.013 58.100 0.176 0.000 1.182 1226 Y CB 1.288 39.877 38.460 0.215 0.000 1.139 1226 Y HN 0.643 nan 8.280 nan 0.000 0.443 1227 D N 3.022 123.611 120.400 0.315 0.000 2.479 1227 D HA 0.398 5.039 4.640 0.002 0.000 0.253 1227 D C 0.381 176.845 176.300 0.274 0.000 1.278 1227 D CA 1.694 55.868 54.000 0.290 0.000 1.145 1227 D CB -0.259 40.712 40.800 0.285 0.000 1.118 1227 D HN 0.856 nan 8.370 nan 0.000 0.513 1228 G N 3.149 112.121 108.800 0.287 0.000 2.347 1228 G HA2 -0.041 3.920 3.960 0.002 0.000 0.321 1228 G HA3 -0.041 3.920 3.960 0.002 0.000 0.321 1228 G C -2.470 172.548 174.900 0.198 0.000 1.412 1228 G CA -0.814 44.416 45.100 0.216 0.000 0.990 1228 G HN 0.063 nan 8.290 nan 0.000 0.637 1229 P HA 0.089 nan 4.420 nan 0.000 0.226 1229 P C 0.860 177.851 177.300 -0.515 0.000 1.153 1229 P CA 1.778 64.746 63.100 -0.220 0.000 0.777 1229 P CB 0.204 31.753 31.700 -0.250 0.000 0.794 1230 S N -3.556 111.839 115.700 -0.508 0.000 2.651 1230 S HA 0.352 4.823 4.470 0.002 0.000 0.279 1230 S C 1.111 175.121 174.600 -0.983 0.000 1.148 1230 S CA -0.022 57.632 58.200 -0.909 0.000 0.837 1230 S CB 1.136 63.949 63.200 -0.644 0.000 1.138 1230 S HN -0.085 nan 8.310 nan 0.000 0.478 1231 S N 1.218 116.170 115.700 -1.246 0.000 2.419 1231 S HA -0.199 4.272 4.470 0.002 0.000 0.235 1231 S C 1.316 175.428 174.600 -0.814 0.000 1.019 1231 S CA 1.660 59.055 58.200 -1.342 0.000 0.982 1231 S CB -1.117 61.557 63.200 -0.876 0.000 0.789 1231 S HN 0.684 nan 8.310 nan 0.000 0.490 1232 N N 1.894 120.302 118.700 -0.488 0.000 2.192 1232 N HA -0.040 4.701 4.740 0.002 0.000 0.188 1232 N C 0.799 176.227 175.510 -0.136 0.000 1.013 1232 N CA 0.947 53.849 53.050 -0.247 0.000 0.863 1232 N CB -0.732 37.636 38.487 -0.198 0.000 0.990 1232 N HN 0.424 nan 8.380 nan 0.000 0.430 1233 S N 0.266 115.874 115.700 -0.154 0.000 2.587 1233 S HA -0.054 4.417 4.470 0.002 0.000 0.260 1233 S C 0.311 175.041 174.600 0.216 0.000 1.353 1233 S CA -0.432 57.792 58.200 0.041 0.000 0.995 1233 S CB 0.383 63.622 63.200 0.064 0.000 0.912 1233 S HN 0.409 nan 8.310 nan 0.000 0.568 1234 H N 1.033 120.202 119.070 0.165 0.000 3.091 1234 H HA 0.194 4.751 4.556 0.002 0.000 0.289 1234 H C -0.133 175.338 175.328 0.238 0.000 0.995 1234 H CA -0.465 55.688 56.048 0.175 0.000 1.461 1234 H CB -0.181 29.648 29.762 0.112 0.000 1.510 1234 H HN 0.367 nan 8.280 nan 0.000 0.546 1235 L N 6.370 127.418 121.223 -0.293 0.000 2.530 1235 L HA 0.061 4.402 4.340 0.002 0.000 0.273 1235 L C 0.072 176.573 176.870 -0.616 0.000 1.141 1235 L CA 0.399 54.961 54.840 -0.462 0.000 0.905 1235 L CB -0.124 41.712 42.059 -0.371 0.000 1.202 1235 L HN 0.893 nan 8.230 nan 0.000 0.473 1236 L N 3.625 124.640 121.223 -0.347 0.000 2.109 1236 L HA 0.068 4.409 4.340 0.002 0.000 0.207 1236 L C 0.364 177.164 176.870 -0.116 0.000 1.086 1236 L CA 0.888 55.645 54.840 -0.137 0.000 0.760 1236 L CB -0.339 41.731 42.059 0.019 0.000 0.910 1236 L HN 0.801 nan 8.230 nan 0.000 0.437 1237 T N -2.212 112.245 114.554 -0.161 0.000 2.886 1237 T HA 0.250 4.601 4.350 0.002 0.000 0.330 1237 T C -1.270 173.358 174.700 -0.120 0.000 1.488 1237 T CA -0.698 61.335 62.100 -0.112 0.000 1.054 1237 T CB 2.597 71.428 68.868 -0.062 0.000 1.348 1237 T HN -0.010 nan 8.240 nan 0.000 0.489 1238 Q N 1.323 121.081 119.800 -0.069 0.000 2.337 1238 Q HA 0.727 5.068 4.340 0.002 0.000 0.270 1238 Q C -2.040 173.949 176.000 -0.017 0.000 1.043 1238 Q CA -0.919 54.886 55.803 0.005 0.000 0.794 1238 Q CB 1.170 29.942 28.738 0.058 0.000 1.281 1238 Q HN 0.426 nan 8.270 nan 0.000 0.446 1239 L N 3.543 124.761 121.223 -0.009 0.000 2.381 1239 L HA 0.717 5.058 4.340 0.002 0.000 0.268 1239 L C -0.756 176.079 176.870 -0.059 0.000 0.997 1239 L CA -0.434 54.320 54.840 -0.143 0.000 0.818 1239 L CB 1.701 43.555 42.059 -0.342 0.000 1.310 1239 L HN 1.010 nan 8.230 nan 0.000 0.416 1240 c N -0.237 118.282 118.600 -0.135 0.000 3.320 1240 c HA 0.997 5.567 4.570 0.002 0.000 0.335 1240 c C 0.346 174.387 174.090 -0.081 0.000 1.430 1240 c CA -0.307 56.016 56.329 -0.011 0.000 1.271 1240 c CB 1.099 43.669 42.510 0.101 0.000 1.609 1240 c HN 1.548 nan 8.230 nan 0.000 0.457 1241 G N 1.035 109.858 108.800 0.040 0.000 2.615 1241 G HA2 0.016 3.976 3.960 0.002 0.000 0.218 1241 G HA3 0.016 3.976 3.960 0.002 0.000 0.218 1241 G C -0.220 174.668 174.900 -0.020 0.000 1.339 1241 G CA 1.266 46.404 45.100 0.062 0.000 0.884 1241 G HN 1.838 nan 8.290 nan 0.000 0.559 1242 D N -0.238 120.161 120.400 -0.002 0.000 2.407 1242 D HA 0.321 4.962 4.640 0.002 0.000 0.208 1242 D C 0.685 177.018 176.300 0.055 0.000 1.083 1242 D CA 0.854 54.890 54.000 0.060 0.000 0.844 1242 D CB 0.319 41.197 40.800 0.130 0.000 0.967 1242 D HN 0.470 nan 8.370 nan 0.000 0.506 1243 E N 1.063 121.225 120.200 -0.063 0.000 2.313 1243 E HA 0.158 4.509 4.350 0.002 0.000 0.272 1243 E C -0.609 175.893 176.600 -0.164 0.000 1.038 1243 E CA -0.581 55.772 56.400 -0.080 0.000 0.863 1243 E CB 0.992 30.641 29.700 -0.086 0.000 1.060 1243 E HN 0.124 nan 8.360 nan 0.000 0.402 1244 K N 5.041 125.398 120.400 -0.071 0.000 2.267 1244 K HA 0.322 4.643 4.320 0.002 0.000 0.282 1244 K C -2.137 174.407 176.600 -0.094 0.000 1.078 1244 K CA -1.593 54.659 56.287 -0.059 0.000 0.903 1244 K CB 0.382 32.916 32.500 0.057 0.000 1.111 1244 K HN 0.292 nan 8.250 nan 0.000 0.475 1245 P HA 0.059 nan 4.420 nan 0.000 0.270 1245 P C -2.573 174.743 177.300 0.027 0.000 1.221 1245 P CA -0.721 62.299 63.100 -0.134 0.000 0.788 1245 P CB -0.115 31.444 31.700 -0.234 0.000 0.904 1246 P HA 0.233 nan 4.420 nan 0.000 0.288 1246 P C -0.806 176.554 177.300 0.100 0.000 1.267 1246 P CA -0.727 62.408 63.100 0.059 0.000 0.815 1246 P CB 0.278 31.996 31.700 0.030 0.000 0.989 1247 L N 0.908 122.190 121.223 0.099 0.000 2.503 1247 L HA 0.187 4.528 4.340 0.002 0.000 0.287 1247 L C -0.225 176.708 176.870 0.104 0.000 1.252 1247 L CA 0.751 55.657 54.840 0.109 0.000 0.835 1247 L CB -0.552 41.554 42.059 0.078 0.000 1.099 1247 L HN 0.260 nan 8.230 nan 0.000 0.516 1248 I N 2.176 122.815 120.570 0.115 0.000 2.555 1248 I HA 0.317 4.488 4.170 0.002 0.000 0.275 1248 I C -0.002 176.185 176.117 0.116 0.000 1.082 1248 I CA -0.513 60.855 61.300 0.113 0.000 1.167 1248 I CB 0.700 38.780 38.000 0.134 0.000 1.312 1248 I HN 0.754 nan 8.210 nan 0.000 0.493 1249 R N 4.613 125.175 120.500 0.103 0.000 2.291 1249 R HA 0.179 4.520 4.340 0.002 0.000 0.333 1249 R C 0.471 176.847 176.300 0.127 0.000 1.082 1249 R CA 0.051 56.217 56.100 0.111 0.000 0.948 1249 R CB 0.712 31.061 30.300 0.081 0.000 1.009 1249 R HN 0.641 nan 8.270 nan 0.000 0.460 1250 S N 2.435 118.234 115.700 0.165 0.000 2.560 1250 S HA -0.083 4.388 4.470 0.002 0.000 0.276 1250 S C 1.096 175.782 174.600 0.143 0.000 1.350 1250 S CA 0.308 58.618 58.200 0.183 0.000 1.024 1250 S CB 0.791 64.140 63.200 0.249 0.000 0.864 1250 S HN 0.828 nan 8.310 nan 0.000 0.536 1251 S N 2.121 117.906 115.700 0.142 0.000 2.539 1251 S HA 0.433 4.904 4.470 0.002 0.000 0.221 1251 S C 0.644 175.307 174.600 0.106 0.000 0.987 1251 S CA 0.134 58.398 58.200 0.106 0.000 0.929 1251 S CB -0.183 63.072 63.200 0.092 0.000 0.832 1251 S HN 1.097 nan 8.310 nan 0.000 0.492 1252 G N 0.141 109.020 108.800 0.132 0.000 2.798 1252 G HA2 0.448 4.409 3.960 0.002 0.000 0.286 1252 G HA3 0.448 4.409 3.960 0.002 0.000 0.286 1252 G C -0.329 174.641 174.900 0.117 0.000 1.389 1252 G CA -0.275 44.901 45.100 0.128 0.000 0.894 1252 G HN 0.018 nan 8.290 nan 0.000 0.488 1253 D N -0.093 120.374 120.400 0.111 0.000 2.230 1253 D HA -0.125 4.516 4.640 0.002 0.000 0.189 1253 D C 1.606 178.009 176.300 0.172 0.000 1.006 1253 D CA 1.707 55.758 54.000 0.084 0.000 0.853 1253 D CB -0.151 40.728 40.800 0.131 0.000 0.959 1253 D HN 0.322 nan 8.370 nan 0.000 0.449 1254 S N -0.954 114.950 115.700 0.340 0.000 2.693 1254 S HA 0.519 4.990 4.470 0.002 0.000 0.276 1254 S C 0.217 175.155 174.600 0.563 0.000 1.192 1254 S CA -0.729 57.811 58.200 0.567 0.000 0.994 1254 S CB 2.184 65.831 63.200 0.744 0.000 1.012 1254 S HN 0.349 nan 8.310 nan 0.000 0.550 1255 M N 2.122 122.077 119.600 0.592 0.000 2.284 1255 M HA 0.458 4.939 4.480 0.002 0.000 0.281 1255 M C -2.316 174.263 176.300 0.465 0.000 1.083 1255 M CA -0.465 55.103 55.300 0.447 0.000 0.965 1255 M CB 1.249 34.053 32.600 0.339 0.000 1.717 1255 M HN 0.728 nan 8.290 nan 0.000 0.479 1256 F N 5.279 125.420 119.950 0.318 0.000 2.432 1256 F HA 0.818 5.346 4.527 0.001 0.000 0.329 1256 F C -1.303 174.693 175.800 0.326 0.000 1.076 1256 F CA -0.408 57.767 58.000 0.293 0.000 1.018 1256 F CB 1.162 40.240 39.000 0.131 0.000 1.201 1256 F HN 0.510 nan 8.300 nan 0.000 0.489 1257 I N 4.848 125.300 120.570 -0.197 0.000 2.586 1257 I HA 0.290 4.461 4.170 0.002 0.000 0.288 1257 I C -1.250 175.011 176.117 0.241 0.000 1.147 1257 I CA -0.609 60.791 61.300 0.166 0.000 1.047 1257 I CB 2.066 40.165 38.000 0.166 0.000 1.244 1257 I HN 0.505 nan 8.210 nan 0.000 0.429 1258 K N 7.594 128.264 120.400 0.451 0.000 2.371 1258 K HA 0.845 5.166 4.320 0.002 0.000 0.251 1258 K C -1.926 174.813 176.600 0.232 0.000 0.934 1258 K CA -0.700 55.903 56.287 0.526 0.000 0.798 1258 K CB 2.655 35.637 32.500 0.803 0.000 1.204 1258 K HN 0.657 nan 8.250 nan 0.000 0.427 1259 L N 2.798 124.081 121.223 0.100 0.000 2.431 1259 L HA 0.653 4.994 4.340 0.002 0.000 0.266 1259 L C -1.592 175.130 176.870 -0.246 0.000 0.978 1259 L CA -0.658 54.093 54.840 -0.149 0.000 0.822 1259 L CB 2.011 44.093 42.059 0.037 0.000 1.310 1259 L HN 0.803 nan 8.230 nan 0.000 0.409 1260 R N 2.327 122.548 120.500 -0.465 0.000 2.686 1260 R HA 0.721 5.062 4.340 0.002 0.000 0.283 1260 R C -1.570 174.738 176.300 0.013 0.000 0.978 1260 R CA -0.089 55.916 56.100 -0.157 0.000 0.897 1260 R CB 2.270 32.617 30.300 0.078 0.000 1.192 1260 R HN 0.870 nan 8.270 nan 0.000 0.457 1261 T N 0.012 114.630 114.554 0.106 0.000 2.848 1261 T HA 0.276 4.627 4.350 0.002 0.000 0.285 1261 T C -0.465 174.369 174.700 0.223 0.000 0.995 1261 T CA -1.062 61.154 62.100 0.194 0.000 0.970 1261 T CB 1.598 70.618 68.868 0.254 0.000 0.976 1261 T HN 0.592 nan 8.240 nan 0.000 0.441 1262 D N 1.848 122.375 120.400 0.212 0.000 2.313 1262 D HA 0.120 4.761 4.640 0.002 0.000 0.247 1262 D C 0.190 176.604 176.300 0.190 0.000 1.094 1262 D CA -0.604 53.496 54.000 0.167 0.000 0.925 1262 D CB 0.639 41.497 40.800 0.097 0.000 1.188 1262 D HN 0.626 nan 8.370 nan 0.000 0.430 1263 E N 0.544 120.846 120.200 0.170 0.000 2.534 1263 E HA 0.294 4.645 4.350 0.002 0.000 0.264 1263 E C 1.003 177.601 176.600 -0.003 0.000 0.981 1263 E CA 0.450 56.913 56.400 0.104 0.000 0.948 1263 E CB -0.453 29.273 29.700 0.044 0.000 0.934 1263 E HN 0.861 nan 8.360 nan 0.000 0.459 1264 G N 1.590 110.329 108.800 -0.101 0.000 2.892 1264 G HA2 -0.110 3.851 3.960 0.002 0.000 0.686 1264 G HA3 -0.110 3.851 3.960 0.002 0.000 0.686 1264 G C -0.416 174.393 174.900 -0.152 0.000 1.244 1264 G CA 0.311 45.311 45.100 -0.167 0.000 0.947 1264 G HN 0.911 nan 8.290 nan 0.000 0.584 1265 Q N -0.793 118.769 119.800 -0.397 0.000 3.185 1265 Q HA 0.014 4.355 4.340 0.002 0.000 0.034 1265 Q C -0.602 175.458 176.000 0.100 0.000 1.683 1265 Q CA 2.065 57.745 55.803 -0.205 0.000 0.263 1265 Q CB -0.338 28.346 28.738 -0.090 0.000 0.583 1265 Q HN 1.369 nan 8.270 nan 0.000 0.322 1266 Q N 1.694 121.591 119.800 0.161 0.000 2.280 1266 Q HA 0.692 5.033 4.340 0.002 0.000 0.259 1266 Q C -0.166 175.776 176.000 -0.097 0.000 0.964 1266 Q CA 0.155 55.801 55.803 -0.263 0.000 0.844 1266 Q CB 2.097 30.529 28.738 -0.510 0.000 1.334 1266 Q HN 0.777 nan 8.270 nan 0.000 0.423 1267 G N 0.686 109.544 108.800 0.096 0.000 2.557 1267 G HA2 0.283 4.244 3.960 0.002 0.000 0.292 1267 G HA3 0.283 4.244 3.960 0.002 0.000 0.292 1267 G C 0.623 175.633 174.900 0.183 0.000 1.237 1267 G CA -0.339 44.971 45.100 0.350 0.000 0.978 1267 G HN 0.752 nan 8.290 nan 0.000 0.498 1268 R N -0.792 119.752 120.500 0.072 0.000 2.081 1268 R HA 0.325 4.666 4.340 0.002 0.000 0.235 1268 R C 1.160 177.607 176.300 0.245 0.000 1.131 1268 R CA 1.264 57.368 56.100 0.006 0.000 0.960 1268 R CB -0.468 29.739 30.300 -0.155 0.000 0.856 1268 R HN 1.389 nan 8.270 nan 0.000 0.436 1269 G N -0.133 108.829 108.800 0.270 0.000 2.280 1269 G HA2 0.089 4.049 3.960 0.002 0.000 0.277 1269 G HA3 0.089 4.049 3.960 0.002 0.000 0.277 1269 G C -0.917 173.851 174.900 -0.220 0.000 1.288 1269 G CA -0.463 44.678 45.100 0.069 0.000 1.075 1269 G HN 0.439 nan 8.290 nan 0.000 0.480 1270 F N -0.992 118.571 119.950 -0.646 0.000 2.640 1270 F HA 0.947 5.475 4.527 0.001 0.000 0.324 1270 F C -0.483 174.700 175.800 -1.029 0.000 1.077 1270 F CA -1.266 56.271 58.000 -0.771 0.000 0.965 1270 F CB 2.333 40.862 39.000 -0.786 0.000 1.351 1270 F HN 0.633 nan 8.300 nan 0.000 0.487 1271 K N 1.397 121.509 120.400 -0.481 0.000 2.507 1271 K HA 0.792 5.113 4.320 0.002 0.000 0.251 1271 K C -1.956 174.484 176.600 -0.266 0.000 0.943 1271 K CA -0.933 55.050 56.287 -0.506 0.000 0.794 1271 K CB 1.965 34.240 32.500 -0.374 0.000 1.188 1271 K HN 1.079 nan 8.250 nan 0.000 0.428 1272 A N 4.086 126.640 122.820 -0.443 0.000 2.323 1272 A HA 0.267 4.588 4.320 0.002 0.000 0.305 1272 A C -0.744 176.707 177.584 -0.222 0.000 1.275 1272 A CA -0.636 51.068 52.037 -0.554 0.000 0.804 1272 A CB 0.867 19.255 19.000 -1.020 0.000 1.152 1272 A HN 0.810 nan 8.150 nan 0.000 0.487 1273 E N 1.966 122.059 120.200 -0.179 0.000 2.338 1273 E HA 0.397 4.748 4.350 0.002 0.000 0.272 1273 E C -1.424 175.164 176.600 -0.021 0.000 1.029 1273 E CA -0.075 56.271 56.400 -0.091 0.000 0.872 1273 E CB 0.625 30.271 29.700 -0.090 0.000 1.015 1273 E HN 0.661 nan 8.360 nan 0.000 0.417 1274 Y N 1.312 121.574 120.300 -0.064 0.000 2.396 1274 Y HA 0.544 5.095 4.550 0.001 0.000 0.332 1274 Y C -1.236 174.668 175.900 0.007 0.000 1.034 1274 Y CA -1.154 56.919 58.100 -0.044 0.000 1.057 1274 Y CB 0.844 39.265 38.460 -0.065 0.000 1.220 1274 Y HN 0.317 nan 8.280 nan 0.000 0.440 1275 R N 2.261 122.815 120.500 0.090 0.000 2.828 1275 R HA 0.516 4.857 4.340 0.002 0.000 0.264 1275 R C -1.228 175.234 176.300 0.271 0.000 1.022 1275 R CA -1.174 54.959 56.100 0.055 0.000 1.021 1275 R CB 1.729 32.044 30.300 0.025 0.000 1.163 1275 R HN 0.791 nan 8.270 nan 0.000 0.494 1276 Q N 0.971 120.919 119.800 0.246 0.000 2.307 1276 Q HA 0.295 4.636 4.340 0.002 0.000 0.262 1276 Q C -0.954 175.094 176.000 0.081 0.000 0.961 1276 Q CA -0.419 55.521 55.803 0.229 0.000 0.882 1276 Q CB 1.554 30.399 28.738 0.179 0.000 1.264 1276 Q HN 0.648 nan 8.270 nan 0.000 0.446 1277 T N 1.015 115.594 114.554 0.043 0.000 2.862 1277 T HA 0.324 4.675 4.350 0.002 0.000 0.276 1277 T C 0.392 175.076 174.700 -0.028 0.000 0.974 1277 T CA -0.559 61.544 62.100 0.006 0.000 0.966 1277 T CB 1.168 70.035 68.868 -0.001 0.000 1.072 1277 T HN 0.890 nan 8.240 nan 0.000 0.538 1278 c N -0.990 117.543 118.600 -0.111 0.000 3.981 1278 c HA 0.419 4.990 4.570 0.002 0.000 0.306 1278 c C 0.099 173.937 174.090 -0.421 0.000 2.005 1278 c CA -0.542 55.605 56.329 -0.304 0.000 1.655 1278 c CB -1.167 41.128 42.510 -0.359 0.000 3.164 1278 c HN 0.886 nan 8.230 nan 0.000 0.554 1279 E N 2.199 122.264 120.200 -0.226 0.000 2.105 1279 E HA 0.338 4.689 4.350 0.002 0.000 0.285 1279 E C -0.252 176.251 176.600 -0.162 0.000 1.055 1279 E CA 0.049 56.330 56.400 -0.199 0.000 0.843 1279 E CB 0.029 29.663 29.700 -0.110 0.000 1.067 1279 E HN 0.599 nan 8.360 nan 0.000 0.398 1280 N N 1.333 119.918 118.700 -0.191 0.000 2.815 1280 N HA -0.178 4.562 4.740 0.002 0.000 0.248 1280 N C -0.395 175.063 175.510 -0.087 0.000 1.110 1280 N CA 0.378 53.355 53.050 -0.121 0.000 0.699 1280 N CB -1.183 37.255 38.487 -0.082 0.000 1.040 1280 N HN 0.263 nan 8.380 nan 0.000 0.555 1281 V N -2.903 116.947 119.914 -0.107 0.000 3.036 1281 V HA 0.783 4.904 4.120 0.002 0.000 0.308 1281 V C 0.761 176.872 176.094 0.029 0.000 1.070 1281 V CA -0.454 61.837 62.300 -0.014 0.000 1.056 1281 V CB 2.008 33.862 31.823 0.051 0.000 1.084 1281 V HN -0.091 nan 8.190 nan 0.000 0.471 1282 V N 3.961 123.898 119.914 0.039 0.000 2.612 1282 V HA 0.378 4.499 4.120 0.002 0.000 0.301 1282 V C -0.567 175.537 176.094 0.017 0.000 1.059 1282 V CA -0.419 61.892 62.300 0.019 0.000 0.886 1282 V CB 1.776 33.602 31.823 0.006 0.000 1.007 1282 V HN 0.793 nan 8.190 nan 0.000 0.426 1283 I N 6.506 127.060 120.570 -0.027 0.000 2.308 1283 I HA 0.143 4.314 4.170 0.002 0.000 0.293 1283 I C 1.408 177.515 176.117 -0.017 0.000 1.078 1283 I CA 0.242 61.525 61.300 -0.028 0.000 1.292 1283 I CB 0.812 38.727 38.000 -0.142 0.000 1.423 1283 I HN 0.491 nan 8.210 nan 0.000 0.493 1284 V N 3.887 123.812 119.914 0.018 0.000 2.379 1284 V HA -0.044 4.077 4.120 0.002 0.000 0.245 1284 V C 0.572 176.685 176.094 0.032 0.000 1.044 1284 V CA 1.068 63.379 62.300 0.018 0.000 1.036 1284 V CB -1.152 30.683 31.823 0.021 0.000 0.664 1284 V HN 0.938 nan 8.190 nan 0.000 0.453 1285 N N -0.691 118.042 118.700 0.056 0.000 2.493 1285 N HA 0.528 5.269 4.740 0.002 0.000 0.279 1285 N C -1.302 174.279 175.510 0.118 0.000 1.082 1285 N CA -0.574 52.524 53.050 0.080 0.000 0.963 1285 N CB 1.571 40.096 38.487 0.064 0.000 1.627 1285 N HN 0.373 nan 8.380 nan 0.000 0.499 1286 Q N 0.939 120.843 119.800 0.174 0.000 2.443 1286 Q HA 0.243 4.583 4.340 0.002 0.000 0.258 1286 Q C -0.211 175.961 176.000 0.287 0.000 0.967 1286 Q CA -0.583 55.349 55.803 0.214 0.000 0.951 1286 Q CB 1.832 30.746 28.738 0.293 0.000 1.459 1286 Q HN 0.784 nan 8.270 nan 0.000 0.415 1287 T N 0.640 115.343 114.554 0.249 0.000 2.652 1287 T HA -0.147 4.204 4.350 0.002 0.000 0.267 1287 T C 0.594 175.517 174.700 0.373 0.000 1.039 1287 T CA 1.897 64.183 62.100 0.310 0.000 1.153 1287 T CB -0.341 68.730 68.868 0.339 0.000 0.863 1287 T HN 0.634 nan 8.240 nan 0.000 0.428 1288 Y N -0.770 119.484 120.300 -0.076 0.000 2.715 1288 Y HA 0.760 5.311 4.550 0.001 0.000 0.331 1288 Y C -0.032 175.212 175.900 -1.093 0.000 1.197 1288 Y CA -1.234 56.560 58.100 -0.509 0.000 1.079 1288 Y CB 1.290 39.518 38.460 -0.388 0.000 1.298 1288 Y HN 0.306 nan 8.280 nan 0.000 0.477 1289 G N 0.342 107.976 108.800 -1.943 0.000 2.317 1289 G HA2 0.411 4.372 3.960 0.002 0.000 0.293 1289 G HA3 0.411 4.372 3.960 0.002 0.000 0.293 1289 G C -2.569 171.333 174.900 -1.663 0.000 1.287 1289 G CA -0.892 42.941 45.100 -2.113 0.000 0.850 1289 G HN 0.521 nan 8.290 nan 0.000 0.515 1290 I N 0.393 120.372 120.570 -0.985 0.000 2.646 1290 I HA 0.562 4.733 4.170 0.002 0.000 0.299 1290 I C -0.361 175.815 176.117 0.099 0.000 1.036 1290 I CA -1.058 60.048 61.300 -0.322 0.000 1.074 1290 I CB 1.625 39.510 38.000 -0.192 0.000 1.258 1290 I HN 0.417 nan 8.210 nan 0.000 0.430 1291 L N 5.481 126.729 121.223 0.043 0.000 2.316 1291 L HA 0.422 4.763 4.340 0.002 0.000 0.280 1291 L C -0.341 176.225 176.870 -0.507 0.000 1.006 1291 L CA -0.377 54.365 54.840 -0.163 0.000 0.836 1291 L CB 1.268 43.251 42.059 -0.127 0.000 1.221 1291 L HN 0.704 nan 8.230 nan 0.000 0.418 1292 E N 2.500 122.329 120.200 -0.618 0.000 2.248 1292 E HA 0.377 4.728 4.350 0.002 0.000 0.267 1292 E C -0.692 175.491 176.600 -0.696 0.000 0.877 1292 E CA -0.842 55.029 56.400 -0.880 0.000 0.759 1292 E CB 1.882 31.233 29.700 -0.582 0.000 1.182 1292 E HN 0.470 nan 8.360 nan 0.000 0.418 1293 S N 3.669 118.875 115.700 -0.823 0.000 2.515 1293 S HA 0.007 4.478 4.470 0.002 0.000 0.285 1293 S C 1.633 176.257 174.600 0.039 0.000 1.265 1293 S CA -0.169 57.944 58.200 -0.144 0.000 1.079 1293 S CB -0.413 62.796 63.200 0.015 0.000 0.877 1293 S HN 0.690 nan 8.310 nan 0.000 0.493 1294 I N 2.367 123.022 120.570 0.142 0.000 2.203 1294 I HA -0.250 3.921 4.170 0.002 0.000 0.237 1294 I C 2.346 178.503 176.117 0.066 0.000 0.993 1294 I CA 2.050 63.409 61.300 0.099 0.000 1.277 1294 I CB -1.644 36.422 38.000 0.110 0.000 0.984 1294 I HN 0.664 nan 8.210 nan 0.000 0.402 1295 G N -0.543 108.304 108.800 0.077 0.000 2.475 1295 G HA2 -0.282 3.679 3.960 0.002 0.000 0.220 1295 G HA3 -0.282 3.679 3.960 0.002 0.000 0.220 1295 G C 0.736 175.655 174.900 0.031 0.000 1.125 1295 G CA 0.613 45.736 45.100 0.038 0.000 0.755 1295 G HN 0.586 nan 8.290 nan 0.000 0.565 1296 Y N 1.988 122.243 120.300 -0.075 0.000 3.032 1296 Y HA 0.052 4.603 4.550 0.001 0.000 0.344 1296 Y C -1.142 174.694 175.900 -0.106 0.000 1.273 1296 Y CA -0.899 57.141 58.100 -0.100 0.000 1.588 1296 Y CB 1.020 39.373 38.460 -0.177 0.000 1.209 1296 Y HN 0.055 nan 8.280 nan 0.000 0.597 1297 P HA 0.013 nan 4.420 nan 0.000 0.255 1297 P C -0.918 176.048 177.300 -0.557 0.000 1.301 1297 P CA 0.292 62.744 63.100 -1.080 0.000 0.817 1297 P CB 0.097 31.374 31.700 -0.704 0.000 1.259 1298 N N 2.174 120.715 118.700 -0.264 0.000 2.492 1298 N HA 0.069 4.810 4.740 0.002 0.000 0.260 1298 N C -2.201 173.222 175.510 -0.145 0.000 1.215 1298 N CA -1.350 51.597 53.050 -0.172 0.000 0.923 1298 N CB -0.312 38.117 38.487 -0.098 0.000 1.092 1298 N HN 0.178 nan 8.380 nan 0.000 0.448 1299 P HA -0.047 nan 4.420 nan 0.000 0.267 1299 P C -0.669 176.546 177.300 -0.142 0.000 1.200 1299 P CA 0.167 63.161 63.100 -0.178 0.000 0.772 1299 P CB 0.078 31.645 31.700 -0.221 0.000 0.855 1300 Y N -0.360 119.930 120.300 -0.017 0.000 2.309 1300 Y HA 0.369 4.920 4.550 0.001 0.000 0.327 1300 Y C 0.571 176.466 175.900 -0.008 0.000 1.172 1300 Y CA -1.294 56.810 58.100 0.006 0.000 1.280 1300 Y CB -0.351 38.136 38.460 0.045 0.000 1.234 1300 Y HN 0.272 nan 8.280 nan 0.000 0.512 1301 S N 1.244 117.039 115.700 0.158 0.000 2.560 1301 S HA 0.083 4.554 4.470 0.002 0.000 0.284 1301 S C -0.404 174.249 174.600 0.089 0.000 1.327 1301 S CA -0.880 57.361 58.200 0.068 0.000 1.055 1301 S CB 0.303 63.530 63.200 0.046 0.000 0.868 1301 S HN 0.686 nan 8.310 nan 0.000 0.506 1302 E N 1.760 121.974 120.200 0.022 0.000 2.392 1302 E HA 0.230 4.581 4.350 0.002 0.000 0.264 1302 E C 0.091 176.681 176.600 -0.017 0.000 1.024 1302 E CA 0.045 56.453 56.400 0.012 0.000 0.903 1302 E CB 0.097 29.787 29.700 -0.015 0.000 0.963 1302 E HN 0.593 nan 8.360 nan 0.000 0.432 1303 N N 1.807 120.475 118.700 -0.054 0.000 2.862 1303 N HA -0.171 4.570 4.740 0.002 0.000 0.246 1303 N C -1.332 174.035 175.510 -0.237 0.000 1.111 1303 N CA 0.564 53.536 53.050 -0.131 0.000 0.688 1303 N CB -1.152 37.296 38.487 -0.064 0.000 1.018 1303 N HN 0.515 nan 8.380 nan 0.000 0.556 1304 Q N 0.341 119.984 119.800 -0.263 0.000 2.271 1304 Q HA 0.292 4.632 4.340 0.002 0.000 0.258 1304 Q C -0.257 175.462 176.000 -0.470 0.000 0.936 1304 Q CA -0.333 55.307 55.803 -0.271 0.000 0.909 1304 Q CB 1.464 30.130 28.738 -0.120 0.000 1.253 1304 Q HN 0.290 nan 8.270 nan 0.000 0.440 1305 H N 1.570 120.578 119.070 -0.104 0.000 2.643 1305 H HA 0.240 4.797 4.556 0.002 0.000 0.259 1305 H C -0.676 174.540 175.328 -0.188 0.000 1.298 1305 H CA -0.396 55.577 56.048 -0.125 0.000 1.301 1305 H CB 0.312 30.017 29.762 -0.095 0.000 1.422 1305 H HN 0.514 nan 8.280 nan 0.000 0.521 1306 c N 2.989 121.485 118.600 -0.174 0.000 2.330 1306 c HA 0.247 4.818 4.570 0.002 0.000 0.344 1306 c C 0.955 174.790 174.090 -0.424 0.000 1.273 1306 c CA -0.509 55.565 56.329 -0.425 0.000 1.879 1306 c CB 0.135 42.326 42.510 -0.533 0.000 2.376 1306 c HN 0.771 nan 8.230 nan 0.000 0.534 1307 N N 3.394 121.747 118.700 -0.578 0.000 2.640 1307 N HA 0.213 4.954 4.740 0.002 0.000 0.262 1307 N C -1.115 174.212 175.510 -0.304 0.000 1.174 1307 N CA -0.264 52.606 53.050 -0.299 0.000 0.791 1307 N CB 0.628 39.012 38.487 -0.173 0.000 1.279 1307 N HN 0.745 nan 8.380 nan 0.000 0.535 1308 W N 1.606 122.906 121.300 0.001 0.000 2.436 1308 W HA 0.466 5.127 4.660 0.002 0.000 0.347 1308 W C -0.189 176.299 176.519 -0.052 0.000 1.136 1308 W CA -0.488 56.839 57.345 -0.030 0.000 1.286 1308 W CB 1.652 31.093 29.460 -0.032 0.000 1.253 1308 W HN 0.232 nan 8.180 nan 0.000 0.617 1309 T N 1.310 115.950 114.554 0.144 0.000 3.170 1309 T HA 0.406 4.757 4.350 0.002 0.000 0.315 1309 T C -0.641 174.026 174.700 -0.055 0.000 0.967 1309 T CA -0.613 61.509 62.100 0.036 0.000 1.024 1309 T CB 0.914 69.790 68.868 0.014 0.000 1.018 1309 T HN 0.147 nan 8.240 nan 0.000 0.449 1310 I N 2.993 123.475 120.570 -0.146 0.000 2.342 1310 I HA 0.418 4.589 4.170 0.002 0.000 0.291 1310 I C 0.554 176.583 176.117 -0.146 0.000 1.010 1310 I CA -0.671 60.460 61.300 -0.281 0.000 1.308 1310 I CB 1.096 38.733 38.000 -0.606 0.000 1.400 1310 I HN 0.318 nan 8.210 nan 0.000 0.488 1311 R N 4.805 125.247 120.500 -0.096 0.000 2.343 1311 R HA 0.598 4.939 4.340 0.002 0.000 0.320 1311 R C -0.544 175.751 176.300 -0.008 0.000 0.956 1311 R CA -0.675 55.403 56.100 -0.037 0.000 0.836 1311 R CB 1.913 32.203 30.300 -0.017 0.000 1.151 1311 R HN 0.737 nan 8.270 nan 0.000 0.450 1312 A N 2.794 125.617 122.820 0.006 0.000 2.302 1312 A HA 0.187 4.508 4.320 0.002 0.000 0.295 1312 A C 0.537 178.140 177.584 0.031 0.000 1.235 1312 A CA -0.502 51.555 52.037 0.034 0.000 0.876 1312 A CB 0.183 19.205 19.000 0.037 0.000 1.133 1312 A HN 0.793 nan 8.150 nan 0.000 0.533 1313 T N 1.985 116.562 114.554 0.039 0.000 2.934 1313 T HA 0.359 4.710 4.350 0.002 0.000 0.321 1313 T C 1.005 175.720 174.700 0.026 0.000 1.080 1313 T CA 0.552 62.671 62.100 0.032 0.000 1.132 1313 T CB -0.303 68.588 68.868 0.038 0.000 1.039 1313 T HN 1.617 nan 8.240 nan 0.000 0.543 1314 T N 2.311 116.877 114.554 0.020 0.000 14.101 1314 T HA -0.203 4.148 4.350 0.002 0.000 0.419 1314 T C 0.988 175.697 174.700 0.014 0.000 1.441 1314 T CA 0.978 63.088 62.100 0.016 0.000 2.334 1314 T CB -1.717 67.161 68.868 0.016 0.000 2.762 1314 T HN 1.682 nan 8.240 nan 0.000 0.292 1315 G N 2.165 110.973 108.800 0.013 0.000 4.222 1315 G HA2 0.475 4.436 3.960 0.002 0.000 0.301 1315 G HA3 0.475 4.436 3.960 0.002 0.000 0.301 1315 G C 0.086 174.992 174.900 0.011 0.000 1.171 1315 G CA -0.220 44.887 45.100 0.011 0.000 0.937 1315 G HN 0.522 nan 8.290 nan 0.000 0.557 1316 N N 0.653 119.363 118.700 0.016 0.000 2.514 1316 N HA 0.573 5.314 4.740 0.002 0.000 0.299 1316 N C 0.809 176.328 175.510 0.015 0.000 1.292 1316 N CA 0.038 53.098 53.050 0.017 0.000 0.963 1316 N CB 0.777 39.282 38.487 0.030 0.000 1.124 1316 N HN 0.318 nan 8.380 nan 0.000 0.580 1317 T N -3.733 110.831 114.554 0.017 0.000 2.590 1317 T HA 0.709 5.060 4.350 0.002 0.000 0.282 1317 T C -1.115 173.598 174.700 0.022 0.000 0.989 1317 T CA -0.657 61.447 62.100 0.007 0.000 1.091 1317 T CB 0.514 69.375 68.868 -0.012 0.000 1.460 1317 T HN 0.105 nan 8.240 nan 0.000 0.499 1318 V N 1.910 121.813 119.914 -0.019 0.000 2.567 1318 V HA 0.511 4.631 4.120 0.002 0.000 0.298 1318 V C -1.093 174.924 176.094 -0.129 0.000 1.047 1318 V CA -1.118 61.176 62.300 -0.009 0.000 0.880 1318 V CB 1.356 33.144 31.823 -0.059 0.000 1.009 1318 V HN 0.859 nan 8.190 nan 0.000 0.429 1319 N N 2.692 121.436 118.700 0.073 0.000 2.530 1319 N HA 0.555 5.296 4.740 0.002 0.000 0.277 1319 N C -0.852 174.628 175.510 -0.050 0.000 1.168 1319 N CA -0.168 52.914 53.050 0.054 0.000 0.979 1319 N CB 0.642 39.363 38.487 0.390 0.000 1.141 1319 N HN 0.548 nan 8.380 nan 0.000 0.459 1320 Y N -0.403 119.986 120.300 0.148 0.000 2.534 1320 Y HA 0.621 5.171 4.550 0.001 0.000 0.329 1320 Y C 0.419 176.343 175.900 0.041 0.000 1.154 1320 Y CA -0.602 57.523 58.100 0.043 0.000 1.192 1320 Y CB 1.372 39.857 38.460 0.041 0.000 1.275 1320 Y HN 0.319 nan 8.280 nan 0.000 0.491 1321 T N 0.972 115.608 114.554 0.138 0.000 3.159 1321 T HA 0.416 4.767 4.350 0.002 0.000 0.343 1321 T C -1.357 173.325 174.700 -0.030 0.000 1.364 1321 T CA -0.908 61.263 62.100 0.119 0.000 1.102 1321 T CB 0.746 69.662 68.868 0.080 0.000 1.263 1321 T HN 0.244 nan 8.240 nan 0.000 0.477 1322 F N 1.257 121.250 119.950 0.072 0.000 2.440 1322 F HA 0.640 5.168 4.527 0.001 0.000 0.328 1322 F C 0.725 176.572 175.800 0.079 0.000 1.070 1322 F CA -0.714 57.335 58.000 0.082 0.000 1.011 1322 F CB 1.304 40.358 39.000 0.090 0.000 1.226 1322 F HN 0.410 nan 8.300 nan 0.000 0.491 1323 L N 1.368 122.758 121.223 0.278 0.000 2.806 1323 L HA 0.497 4.838 4.340 0.002 0.000 0.242 1323 L C 0.005 176.987 176.870 0.187 0.000 1.068 1323 L CA 0.228 55.164 54.840 0.160 0.000 0.923 1323 L CB 0.290 42.376 42.059 0.045 0.000 1.364 1323 L HN 0.576 nan 8.230 nan 0.000 0.511 1324 A N -0.661 122.305 122.820 0.244 0.000 2.520 1324 A HA 0.735 5.056 4.320 0.002 0.000 0.298 1324 A C -1.888 175.934 177.584 0.396 0.000 1.051 1324 A CA -0.262 51.935 52.037 0.267 0.000 0.690 1324 A CB 1.464 20.588 19.000 0.206 0.000 1.281 1324 A HN -0.062 nan 8.150 nan 0.000 0.402 1325 F N 1.136 121.218 119.950 0.220 0.000 2.615 1325 F HA 0.609 5.137 4.527 0.001 0.000 0.312 1325 F C -1.353 174.560 175.800 0.187 0.000 1.119 1325 F CA -0.027 58.091 58.000 0.197 0.000 0.979 1325 F CB 2.288 41.315 39.000 0.045 0.000 1.266 1325 F HN 0.567 nan 8.300 nan 0.000 0.444 1326 D N 5.713 126.219 120.400 0.175 0.000 2.684 1326 D HA 0.266 4.907 4.640 0.002 0.000 0.233 1326 D C -1.741 174.693 176.300 0.224 0.000 1.374 1326 D CA 0.037 54.188 54.000 0.252 0.000 0.906 1326 D CB 0.375 41.305 40.800 0.218 0.000 1.526 1326 D HN 0.405 nan 8.370 nan 0.000 0.518 1327 L N 0.798 122.173 121.223 0.253 0.000 2.335 1327 L HA 0.549 4.890 4.340 0.002 0.000 0.268 1327 L C 1.383 178.428 176.870 0.291 0.000 1.016 1327 L CA -1.053 53.953 54.840 0.277 0.000 0.805 1327 L CB 1.198 43.363 42.059 0.177 0.000 1.311 1327 L HN 0.188 nan 8.230 nan 0.000 0.456 1328 E N -0.338 120.039 120.200 0.294 0.000 2.563 1328 E HA -0.018 4.333 4.350 0.002 0.000 0.260 1328 E C -0.716 176.024 176.600 0.233 0.000 1.391 1328 E CA 0.141 56.681 56.400 0.234 0.000 1.079 1328 E CB 0.290 30.110 29.700 0.199 0.000 0.984 1328 E HN 0.335 nan 8.360 nan 0.000 0.563 1329 H N -0.466 118.691 119.070 0.146 0.000 2.572 1329 H HA 0.115 4.672 4.556 0.002 0.000 0.359 1329 H C 0.351 175.783 175.328 0.173 0.000 1.134 1329 H CA -0.444 55.697 56.048 0.155 0.000 1.187 1329 H CB 0.858 30.699 29.762 0.131 0.000 1.597 1329 H HN 0.649 nan 8.280 nan 0.000 0.524 1330 H N 3.315 122.351 119.070 -0.057 0.000 1.452 1330 H HA -0.304 4.253 4.556 0.002 0.000 0.090 1330 H C 0.808 176.190 175.328 0.089 0.000 1.657 1330 H CA 2.297 58.389 56.048 0.073 0.000 1.901 1330 H CB -0.500 29.437 29.762 0.291 0.000 2.257 1330 H HN 0.693 nan 8.280 nan 0.000 0.961 1331 I N 0.058 120.154 120.570 -0.791 0.000 6.521 1331 I HA -0.326 3.844 4.170 0.002 0.000 0.126 1331 I C 0.388 176.149 176.117 -0.593 0.000 1.822 1331 I CA 1.524 62.363 61.300 -0.768 0.000 2.063 1331 I CB -2.358 35.500 38.000 -0.236 0.000 3.493 1331 I HN 0.775 nan 8.210 nan 0.000 0.177 1332 N N -0.694 117.560 118.700 -0.742 0.000 2.740 1332 N HA -0.221 4.520 4.740 0.002 0.000 0.248 1332 N C 0.780 176.264 175.510 -0.044 0.000 1.062 1332 N CA 1.158 54.182 53.050 -0.042 0.000 0.704 1332 N CB -1.480 36.975 38.487 -0.053 0.000 0.968 1332 N HN 0.728 nan 8.380 nan 0.000 0.547 1333 c N -0.432 118.175 118.600 0.012 0.000 3.886 1333 c HA -0.195 4.376 4.570 0.002 0.000 0.295 1333 c C 1.776 175.902 174.090 0.060 0.000 1.411 1333 c CA 1.058 57.406 56.329 0.031 0.000 2.059 1333 c CB -2.527 39.972 42.510 -0.018 0.000 1.329 1333 c HN 0.782 nan 8.230 nan 0.000 0.670 1334 S N -2.487 113.244 115.700 0.052 0.000 2.523 1334 S HA 0.039 4.509 4.470 0.002 0.000 0.217 1334 S C 1.235 175.920 174.600 0.141 0.000 0.996 1334 S CA 0.907 59.167 58.200 0.100 0.000 0.921 1334 S CB 0.194 63.401 63.200 0.012 0.000 0.829 1334 S HN 0.750 nan 8.310 nan 0.000 0.495 1335 T N 1.546 116.171 114.554 0.118 0.000 2.697 1335 T HA 0.107 4.458 4.350 0.002 0.000 0.244 1335 T C -0.261 174.504 174.700 0.108 0.000 1.090 1335 T CA 0.986 63.147 62.100 0.102 0.000 1.255 1335 T CB -0.446 68.477 68.868 0.091 0.000 0.931 1335 T HN 0.308 nan 8.240 nan 0.000 0.406 1336 D N 0.341 120.816 120.400 0.124 0.000 2.248 1336 D HA 0.562 5.203 4.640 0.002 0.000 0.246 1336 D C -0.932 175.450 176.300 0.136 0.000 1.027 1336 D CA -0.240 53.796 54.000 0.059 0.000 0.853 1336 D CB 1.653 42.528 40.800 0.124 0.000 1.243 1336 D HN 0.618 nan 8.370 nan 0.000 0.462 1337 Y N -0.480 119.833 120.300 0.022 0.000 2.764 1337 Y HA 0.664 5.214 4.550 0.001 0.000 0.331 1337 Y C -2.164 173.751 175.900 0.025 0.000 1.280 1337 Y CA -1.409 56.717 58.100 0.043 0.000 1.065 1337 Y CB 1.201 39.694 38.460 0.054 0.000 1.319 1337 Y HN 0.292 nan 8.280 nan 0.000 0.453 1338 L N 1.315 122.800 121.223 0.437 0.000 2.438 1338 L HA 0.679 5.020 4.340 0.002 0.000 0.270 1338 L C -1.469 175.605 176.870 0.340 0.000 0.972 1338 L CA -0.349 54.653 54.840 0.271 0.000 0.831 1338 L CB 2.244 44.322 42.059 0.031 0.000 1.273 1338 L HN 0.890 nan 8.230 nan 0.000 0.405 1339 E N 4.242 124.627 120.200 0.309 0.000 2.235 1339 E HA 0.641 4.992 4.350 0.002 0.000 0.265 1339 E C -1.369 175.301 176.600 0.117 0.000 0.940 1339 E CA -0.778 55.750 56.400 0.213 0.000 0.819 1339 E CB 2.520 32.391 29.700 0.284 0.000 1.206 1339 E HN 0.522 nan 8.360 nan 0.000 0.409 1340 L N 2.134 123.336 121.223 -0.034 0.000 2.354 1340 L HA 0.538 4.879 4.340 0.002 0.000 0.269 1340 L C -1.317 175.445 176.870 -0.180 0.000 1.005 1340 L CA -0.892 53.919 54.840 -0.048 0.000 0.819 1340 L CB 1.128 43.085 42.059 -0.169 0.000 1.311 1340 L HN 0.557 nan 8.230 nan 0.000 0.423 1341 Y N 0.059 120.423 120.300 0.107 0.000 2.457 1341 Y HA 0.252 4.803 4.550 0.002 0.000 0.343 1341 Y C -0.413 175.564 175.900 0.129 0.000 0.994 1341 Y CA -0.816 57.349 58.100 0.107 0.000 1.031 1341 Y CB 2.178 40.687 38.460 0.081 0.000 1.246 1341 Y HN 0.389 nan 8.280 nan 0.000 0.449 1342 D N 2.627 123.176 120.400 0.248 0.000 2.485 1342 D HA 0.389 5.029 4.640 0.002 0.000 0.221 1342 D C 0.817 177.216 176.300 0.164 0.000 1.112 1342 D CA 1.157 55.264 54.000 0.177 0.000 0.911 1342 D CB 0.440 41.315 40.800 0.124 0.000 1.019 1342 D HN 0.872 nan 8.370 nan 0.000 0.516 1343 G N 5.595 114.481 108.800 0.143 0.000 2.634 1343 G HA2 -0.327 3.634 3.960 0.002 0.000 0.318 1343 G HA3 -0.327 3.634 3.960 0.002 0.000 0.318 1343 G C -1.425 173.555 174.900 0.132 0.000 1.207 1343 G CA 0.321 45.483 45.100 0.103 0.000 0.987 1343 G HN 0.491 nan 8.290 nan 0.000 0.547 1344 P HA 0.165 nan 4.420 nan 0.000 0.230 1344 P C 0.823 178.283 177.300 0.266 0.000 1.168 1344 P CA 1.161 64.337 63.100 0.127 0.000 0.793 1344 P CB 0.051 31.796 31.700 0.075 0.000 0.851 1345 R N 0.922 121.561 120.500 0.233 0.000 2.340 1345 R HA 0.262 4.602 4.340 0.002 0.000 0.300 1345 R C 0.014 176.390 176.300 0.127 0.000 1.069 1345 R CA -0.500 55.707 56.100 0.178 0.000 0.984 1345 R CB 0.405 30.761 30.300 0.094 0.000 1.003 1345 R HN -0.011 nan 8.270 nan 0.000 0.459 1346 Q N 4.247 124.013 119.800 -0.057 0.000 2.288 1346 Q HA 0.109 4.450 4.340 0.002 0.000 0.258 1346 Q C 0.090 175.955 176.000 -0.226 0.000 0.957 1346 Q CA -0.270 55.244 55.803 -0.482 0.000 0.919 1346 Q CB 1.185 29.631 28.738 -0.486 0.000 1.185 1346 Q HN 0.882 nan 8.270 nan 0.000 0.408 1347 M N 2.332 121.811 119.600 -0.202 0.000 2.465 1347 M HA 0.371 4.852 4.480 0.002 0.000 0.249 1347 M C 0.565 176.870 176.300 0.007 0.000 1.130 1347 M CA 0.331 55.609 55.300 -0.036 0.000 1.067 1347 M CB 0.896 33.534 32.600 0.064 0.000 1.394 1347 M HN 0.725 nan 8.290 nan 0.000 0.483 1348 G N 1.100 109.880 108.800 -0.034 0.000 2.339 1348 G HA2 0.390 4.351 3.960 0.002 0.000 0.302 1348 G HA3 0.390 4.351 3.960 0.002 0.000 0.302 1348 G C -2.049 172.889 174.900 0.063 0.000 1.425 1348 G CA -1.074 44.035 45.100 0.016 0.000 0.899 1348 G HN 0.179 nan 8.290 nan 0.000 0.619 1349 R N -0.024 120.363 120.500 -0.189 0.000 2.502 1349 R HA 0.710 5.050 4.340 0.002 0.000 0.300 1349 R C -1.530 174.625 176.300 -0.241 0.000 0.984 1349 R CA -0.751 55.290 56.100 -0.098 0.000 0.882 1349 R CB 1.151 31.289 30.300 -0.269 0.000 1.180 1349 R HN 0.590 nan 8.270 nan 0.000 0.444 1350 Y N 2.824 123.078 120.300 -0.077 0.000 2.570 1350 Y HA 0.668 5.219 4.550 0.001 0.000 0.345 1350 Y C 0.213 176.151 175.900 0.063 0.000 1.014 1350 Y CA -0.617 57.416 58.100 -0.112 0.000 1.063 1350 Y CB 2.083 40.368 38.460 -0.292 0.000 1.272 1350 Y HN 0.860 nan 8.280 nan 0.000 0.477 1351 c N -1.037 117.644 118.600 0.134 0.000 3.271 1351 c HA 0.934 5.505 4.570 0.002 0.000 0.362 1351 c C 0.304 174.446 174.090 0.087 0.000 1.567 1351 c CA -0.524 55.950 56.329 0.243 0.000 1.144 1351 c CB 1.010 43.595 42.510 0.125 0.000 1.807 1351 c HN 1.705 nan 8.230 nan 0.000 0.423 1352 G N -0.609 108.230 108.800 0.065 0.000 2.632 1352 G HA2 0.140 4.101 3.960 0.002 0.000 0.224 1352 G HA3 0.140 4.101 3.960 0.002 0.000 0.224 1352 G C 0.078 175.137 174.900 0.265 0.000 1.341 1352 G CA 0.327 45.446 45.100 0.030 0.000 0.880 1352 G HN 2.445 nan 8.290 nan 0.000 0.566 1353 V N 0.743 120.803 119.914 0.242 0.000 3.376 1353 V HA 0.323 4.443 4.120 0.002 0.000 0.313 1353 V C 0.178 176.373 176.094 0.169 0.000 1.393 1353 V CA 0.823 63.280 62.300 0.261 0.000 1.125 1353 V CB -0.379 31.571 31.823 0.211 0.000 1.037 1353 V HN 0.577 nan 8.190 nan 0.000 0.440 1354 D N 1.604 122.032 120.400 0.046 0.000 2.343 1354 D HA 0.245 4.886 4.640 0.002 0.000 0.255 1354 D C -0.180 175.959 176.300 -0.268 0.000 1.187 1354 D CA 0.015 53.970 54.000 -0.076 0.000 0.875 1354 D CB 1.529 42.265 40.800 -0.107 0.000 1.136 1354 D HN 0.184 nan 8.370 nan 0.000 0.469 1355 L N 5.572 126.709 121.223 -0.143 0.000 2.433 1355 L HA 0.224 4.564 4.340 0.002 0.000 0.275 1355 L C -1.987 174.705 176.870 -0.297 0.000 1.128 1355 L CA -1.089 53.635 54.840 -0.194 0.000 0.875 1355 L CB 0.098 42.168 42.059 0.019 0.000 1.171 1355 L HN 0.242 nan 8.230 nan 0.000 0.463 1356 P HA 0.231 nan 4.420 nan 0.000 0.272 1356 P C -2.573 174.644 177.300 -0.139 0.000 1.230 1356 P CA -1.071 61.765 63.100 -0.439 0.000 0.788 1356 P CB -0.329 30.698 31.700 -1.121 0.000 0.949 1357 P HA 0.177 nan 4.420 nan 0.000 0.269 1357 P C -2.371 175.046 177.300 0.195 0.000 1.215 1357 P CA -0.904 62.255 63.100 0.100 0.000 0.780 1357 P CB -0.779 30.986 31.700 0.108 0.000 0.898 1358 P HA 0.300 nan 4.420 nan 0.000 0.273 1358 P C 0.272 177.745 177.300 0.288 0.000 1.252 1358 P CA 0.291 63.543 63.100 0.253 0.000 0.809 1358 P CB -0.024 31.785 31.700 0.182 0.000 1.017 1359 G N -2.167 106.811 108.800 0.297 0.000 2.342 1359 G HA2 0.526 4.487 3.960 0.002 0.000 0.297 1359 G HA3 0.526 4.487 3.960 0.002 0.000 0.297 1359 G C -1.807 173.083 174.900 -0.017 0.000 1.313 1359 G CA -0.359 44.888 45.100 0.246 0.000 0.830 1359 G HN 0.437 nan 8.290 nan 0.000 0.506 1360 S N -0.624 115.034 115.700 -0.068 0.000 2.543 1360 S HA 0.670 5.141 4.470 0.002 0.000 0.273 1360 S C -0.185 174.348 174.600 -0.111 0.000 1.152 1360 S CA -0.244 57.845 58.200 -0.185 0.000 0.910 1360 S CB 1.648 64.802 63.200 -0.076 0.000 1.105 1360 S HN 1.362 nan 8.310 nan 0.000 0.465 1361 T N -0.345 114.120 114.554 -0.148 0.000 2.907 1361 T HA 0.302 4.653 4.350 0.002 0.000 0.298 1361 T C 1.416 176.108 174.700 -0.012 0.000 1.017 1361 T CA -0.084 61.995 62.100 -0.034 0.000 1.118 1361 T CB 0.837 69.691 68.868 -0.023 0.000 0.948 1361 T HN 0.722 nan 8.240 nan 0.000 0.531 1362 T N -0.711 113.852 114.554 0.015 0.000 3.129 1362 T HA 0.185 4.536 4.350 0.002 0.000 0.251 1362 T C 0.856 175.567 174.700 0.018 0.000 1.117 1362 T CA 0.003 62.111 62.100 0.014 0.000 1.034 1362 T CB -0.011 68.870 68.868 0.021 0.000 0.968 1362 T HN 0.561 nan 8.240 nan 0.000 0.526 1363 S N 0.271 115.985 115.700 0.023 0.000 2.786 1363 S HA 0.560 5.031 4.470 0.002 0.000 0.307 1363 S C 1.274 175.886 174.600 0.019 0.000 1.121 1363 S CA -0.105 58.110 58.200 0.026 0.000 0.975 1363 S CB 1.645 64.870 63.200 0.041 0.000 1.220 1363 S HN 0.390 nan 8.310 nan 0.000 0.550 1364 S N 0.256 115.968 115.700 0.020 0.000 2.511 1364 S HA 0.332 4.803 4.470 0.002 0.000 0.214 1364 S C 0.303 174.911 174.600 0.014 0.000 0.997 1364 S CA -0.122 58.087 58.200 0.015 0.000 0.908 1364 S CB -0.086 63.123 63.200 0.015 0.000 0.803 1364 S HN 0.474 nan 8.310 nan 0.000 0.504 1365 K N 1.964 122.379 120.400 0.024 0.000 2.172 1365 K HA 0.360 4.681 4.320 0.002 0.000 0.276 1365 K C -1.191 175.442 176.600 0.054 0.000 1.013 1365 K CA -0.512 55.792 56.287 0.029 0.000 0.913 1365 K CB 1.481 34.000 32.500 0.033 0.000 1.055 1365 K HN 0.356 nan 8.250 nan 0.000 0.461 1366 L N 3.751 125.005 121.223 0.052 0.000 2.518 1366 L HA 0.305 4.646 4.340 0.002 0.000 0.262 1366 L C -1.294 175.646 176.870 0.117 0.000 0.982 1366 L CA -0.343 54.564 54.840 0.111 0.000 0.873 1366 L CB 1.526 43.638 42.059 0.088 0.000 1.198 1366 L HN 0.682 nan 8.230 nan 0.000 0.427 1367 Q N 3.385 123.294 119.800 0.180 0.000 2.257 1367 Q HA 0.590 4.931 4.340 0.002 0.000 0.255 1367 Q C -0.485 175.664 176.000 0.247 0.000 0.920 1367 Q CA -0.591 55.316 55.803 0.174 0.000 0.927 1367 Q CB 2.765 31.564 28.738 0.103 0.000 1.229 1367 Q HN 0.590 nan 8.270 nan 0.000 0.433 1368 V N 1.224 121.286 119.914 0.247 0.000 2.384 1368 V HA 0.577 4.698 4.120 0.002 0.000 0.287 1368 V C -0.594 175.699 176.094 0.331 0.000 1.020 1368 V CA -0.894 61.572 62.300 0.277 0.000 0.850 1368 V CB 0.908 32.890 31.823 0.264 0.000 0.987 1368 V HN 0.600 nan 8.190 nan 0.000 0.436 1369 L N 5.683 127.071 121.223 0.274 0.000 2.313 1369 L HA 0.649 4.989 4.340 0.002 0.000 0.283 1369 L C -0.709 176.263 176.870 0.170 0.000 1.013 1369 L CA -0.614 54.351 54.840 0.207 0.000 0.816 1369 L CB 1.880 44.088 42.059 0.248 0.000 1.236 1369 L HN 0.659 nan 8.230 nan 0.000 0.419 1370 L N 5.032 126.305 121.223 0.084 0.000 2.345 1370 L HA 0.546 4.887 4.340 0.002 0.000 0.274 1370 L C -1.385 175.370 176.870 -0.190 0.000 0.999 1370 L CA -0.239 54.590 54.840 -0.019 0.000 0.849 1370 L CB 1.197 43.328 42.059 0.120 0.000 1.220 1370 L HN 0.358 nan 8.230 nan 0.000 0.422 1371 L N 4.259 125.218 121.223 -0.441 0.000 2.282 1371 L HA 0.690 5.031 4.340 0.002 0.000 0.288 1371 L C 0.410 177.011 176.870 -0.448 0.000 1.033 1371 L CA 0.237 54.768 54.840 -0.515 0.000 0.807 1371 L CB 1.660 43.296 42.059 -0.704 0.000 1.209 1371 L HN 0.700 nan 8.230 nan 0.000 0.423 1372 T N 1.789 116.173 114.554 -0.284 0.000 2.893 1372 T HA 0.573 4.924 4.350 0.002 0.000 0.291 1372 T C -0.653 173.989 174.700 -0.096 0.000 1.028 1372 T CA -0.727 61.300 62.100 -0.123 0.000 0.995 1372 T CB 0.985 69.865 68.868 0.021 0.000 1.051 1372 T HN 0.700 nan 8.240 nan 0.000 0.470 1373 D N 1.872 122.263 120.400 -0.015 0.000 2.567 1373 D HA 0.353 4.994 4.640 0.002 0.000 0.275 1373 D C 1.136 177.436 176.300 0.000 0.000 1.195 1373 D CA -0.346 53.644 54.000 -0.017 0.000 1.087 1373 D CB 0.461 41.266 40.800 0.008 0.000 1.165 1373 D HN 0.689 nan 8.370 nan 0.000 0.609 1374 G N -1.246 107.552 108.800 -0.003 0.000 3.314 1374 G HA2 0.421 4.381 3.960 0.002 0.000 0.238 1374 G HA3 0.421 4.381 3.960 0.002 0.000 0.238 1374 G C 0.173 175.067 174.900 -0.011 0.000 1.184 1374 G CA 0.406 45.501 45.100 -0.008 0.000 0.806 1374 G HN 0.552 nan 8.290 nan 0.000 0.536 1375 V N -4.172 115.737 119.914 -0.008 0.000 3.181 1375 V HA 1.042 5.163 4.120 0.002 0.000 0.308 1375 V C -0.182 175.890 176.094 -0.037 0.000 1.214 1375 V CA -0.579 61.709 62.300 -0.020 0.000 1.053 1375 V CB 1.643 33.461 31.823 -0.008 0.000 1.069 1375 V HN 0.686 nan 8.190 nan 0.000 0.441 1376 G N 1.226 109.992 108.800 -0.057 0.000 2.556 1376 G HA2 0.495 4.456 3.960 0.002 0.000 0.294 1376 G HA3 0.495 4.456 3.960 0.002 0.000 0.294 1376 G C -0.431 174.422 174.900 -0.078 0.000 1.516 1376 G CA -0.247 44.803 45.100 -0.083 0.000 0.824 1376 G HN 1.476 nan 8.290 nan 0.000 0.535 1377 R N -0.199 120.264 120.500 -0.062 0.000 2.323 1377 R HA 0.241 4.582 4.340 0.002 0.000 0.198 1377 R C 0.659 176.908 176.300 -0.085 0.000 0.988 1377 R CA 0.249 56.318 56.100 -0.053 0.000 1.041 1377 R CB -0.023 30.264 30.300 -0.022 0.000 0.926 1377 R HN 0.360 nan 8.270 nan 0.000 0.476 1378 R N 1.249 121.663 120.500 -0.143 0.000 3.008 1378 R HA -0.087 4.254 4.340 0.002 0.000 0.267 1378 R C -1.206 174.988 176.300 -0.177 0.000 1.021 1378 R CA 0.792 56.775 56.100 -0.194 0.000 0.668 1378 R CB -2.691 27.525 30.300 -0.140 0.000 1.321 1378 R HN 0.785 nan 8.270 nan 0.000 0.394 1379 E N 1.677 121.748 120.200 -0.216 0.000 2.343 1379 E HA 0.216 4.567 4.350 0.002 0.000 0.269 1379 E C 0.467 177.017 176.600 -0.083 0.000 1.047 1379 E CA -0.590 55.760 56.400 -0.084 0.000 0.874 1379 E CB 1.204 30.941 29.700 0.061 0.000 1.033 1379 E HN -0.004 nan 8.360 nan 0.000 0.409 1380 K N 1.031 121.458 120.400 0.044 0.000 2.057 1380 K HA -0.010 4.311 4.320 0.002 0.000 0.206 1380 K C 1.153 177.875 176.600 0.203 0.000 1.050 1380 K CA 1.418 57.690 56.287 -0.025 0.000 0.935 1380 K CB -0.265 32.157 32.500 -0.131 0.000 0.715 1380 K HN 0.847 nan 8.250 nan 0.000 0.439 1381 G N 0.249 109.304 108.800 0.425 0.000 2.217 1381 G HA2 0.018 3.979 3.960 0.002 0.000 0.173 1381 G HA3 0.018 3.979 3.960 0.002 0.000 0.173 1381 G C -1.205 173.846 174.900 0.252 0.000 1.324 1381 G CA -0.275 45.079 45.100 0.423 0.000 1.225 1381 G HN 0.248 nan 8.290 nan 0.000 0.494 1382 F N -0.905 119.047 119.950 0.003 0.000 2.711 1382 F HA 0.906 5.433 4.527 0.001 0.000 0.313 1382 F C -1.099 174.456 175.800 -0.409 0.000 1.141 1382 F CA -0.910 56.965 58.000 -0.209 0.000 0.941 1382 F CB 1.781 40.581 39.000 -0.333 0.000 1.349 1382 F HN 0.721 nan 8.300 nan 0.000 0.464 1383 Q N 2.027 121.658 119.800 -0.281 0.000 2.320 1383 Q HA 0.710 5.051 4.340 0.002 0.000 0.272 1383 Q C -1.721 174.260 176.000 -0.032 0.000 1.023 1383 Q CA -0.983 54.547 55.803 -0.454 0.000 0.855 1383 Q CB 3.023 31.406 28.738 -0.593 0.000 1.367 1383 Q HN 0.859 nan 8.270 nan 0.000 0.406 1384 M N -0.367 119.154 119.600 -0.132 0.000 2.520 1384 M HA 0.476 4.957 4.480 0.002 0.000 0.280 1384 M C -1.515 174.676 176.300 -0.181 0.000 1.232 1384 M CA -0.781 54.356 55.300 -0.273 0.000 0.892 1384 M CB 1.927 33.979 32.600 -0.912 0.000 1.728 1384 M HN 0.327 nan 8.290 nan 0.000 0.475 1385 Q N 0.860 120.542 119.800 -0.197 0.000 2.221 1385 Q HA 0.768 5.109 4.340 0.002 0.000 0.242 1385 Q C -1.625 174.325 176.000 -0.083 0.000 0.940 1385 Q CA -0.373 55.300 55.803 -0.217 0.000 0.896 1385 Q CB 1.700 30.267 28.738 -0.285 0.000 1.226 1385 Q HN 0.819 nan 8.270 nan 0.000 0.463 1386 W N 0.540 121.648 121.300 -0.321 0.000 3.118 1386 W HA 0.696 5.357 4.660 0.002 0.000 0.328 1386 W C -2.294 174.026 176.519 -0.332 0.000 1.239 1386 W CA -0.812 56.368 57.345 -0.275 0.000 1.176 1386 W CB 0.485 29.881 29.460 -0.107 0.000 1.433 1386 W HN 0.419 nan 8.180 nan 0.000 0.562 1387 F N 0.841 121.000 119.950 0.349 0.000 2.835 1387 F HA 0.858 5.386 4.527 0.001 0.000 0.373 1387 F C 0.172 176.108 175.800 0.226 0.000 1.209 1387 F CA -1.396 56.724 58.000 0.200 0.000 1.082 1387 F CB 1.128 40.175 39.000 0.078 0.000 1.472 1387 F HN 0.321 nan 8.300 nan 0.000 0.519 1388 V N 0.000 120.154 119.914 0.399 0.000 2.409 1388 V HA 0.000 4.121 4.120 0.002 0.000 0.244 1388 V CA 0.000 62.427 62.300 0.211 0.000 1.235 1388 V CB 0.000 31.944 31.823 0.202 0.000 1.184 1388 V HN 0.000 nan 8.190 nan 0.000 0.556