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 3dgb_1_A DATA FIRST_RESID 4 DATA SEQUENCE HASAIESIET IIVDLPTIRP HKLAMHTMQN QTLVLIRLRC ADGIEGLGES DATA SEQUENCE TTIGGLAYGN ESPDSIKTNI DRFVAPLLIG QDASNINAAM LRLEQSIRGN DATA SEQUENCE TFAKSGIESA LLDAQGKRLG LPVSELLGGR VRDALPVAWT LASGDTAKDI DATA SEQUENCE AEAQKMLDLR RHRIFKLKIG AGEVDRDLAH VIAIKKALGD SASVRVDVNQ DATA SEQUENCE AWDEAVALRA CRILGGNGID LIEQPISRNN RAGMVRLNAS SPAPIMADES DATA SEQUENCE IECVEDAFNL AREGAASVFA LKIAKNGGPR ATLRTAAIAE AAGIGLYGGT DATA SEQUENCE MLEGGIGTLA SAHAFLTLNK LSWDTELFGP LLLTEDILAE PPVYRDFHLH DATA SEQUENCE VSKAPGLGLS LDEERLAFFR R 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 4 H HA 0.000 nan 4.556 nan 0.000 0.296 4 H C 0.000 175.327 175.328 -0.002 0.000 0.993 4 H CA 0.000 56.047 56.048 -0.001 0.000 1.023 4 H CB 0.000 29.761 29.762 -0.001 0.000 1.292 5 A N 2.106 124.884 122.820 -0.069 0.000 2.070 5 A HA -0.055 4.265 4.320 -0.001 0.000 0.220 5 A C 1.173 178.884 177.584 0.212 0.000 1.159 5 A CA 1.868 53.936 52.037 0.052 0.000 0.656 5 A CB -0.057 18.907 19.000 -0.060 0.000 0.800 5 A HN 0.380 nan 8.150 nan 0.000 0.453 6 S N -0.309 115.687 115.700 0.493 0.000 2.588 6 S HA 0.543 5.013 4.470 -0.001 0.000 0.245 6 S C 0.499 175.131 174.600 0.053 0.000 1.021 6 S CA 0.008 58.312 58.200 0.173 0.000 1.006 6 S CB 0.030 63.274 63.200 0.072 0.000 0.830 6 S HN 0.713 nan 8.310 nan 0.000 0.468 7 A N 1.624 124.504 122.820 0.101 0.000 2.498 7 A HA 0.386 4.706 4.320 -0.001 0.000 0.239 7 A C 0.242 177.834 177.584 0.012 0.000 1.068 7 A CA -0.058 52.003 52.037 0.039 0.000 0.766 7 A CB -0.191 18.849 19.000 0.066 0.000 1.003 7 A HN 0.544 nan 8.150 nan 0.000 0.497 8 I N 2.136 122.703 120.570 -0.006 0.000 2.452 8 I HA 0.047 4.217 4.170 -0.001 0.000 0.287 8 I C 0.973 177.090 176.117 0.001 0.000 1.079 8 I CA 0.317 61.613 61.300 -0.006 0.000 1.387 8 I CB 0.607 38.600 38.000 -0.013 0.000 1.404 8 I HN 0.869 nan 8.210 nan 0.000 0.522 9 E N 3.617 123.819 120.200 0.003 0.000 2.307 9 E HA 0.049 4.399 4.350 -0.001 0.000 0.195 9 E C 0.079 176.679 176.600 0.000 0.000 0.975 9 E CA 0.277 56.679 56.400 0.003 0.000 0.878 9 E CB 0.544 30.247 29.700 0.006 0.000 0.845 9 E HN 0.756 nan 8.360 nan 0.000 0.488 10 S N 0.025 115.725 115.700 -0.001 0.000 2.552 10 S HA 0.561 5.031 4.470 -0.001 0.000 0.272 10 S C -1.042 173.557 174.600 -0.003 0.000 1.150 10 S CA -0.931 57.267 58.200 -0.003 0.000 0.849 10 S CB 1.373 64.571 63.200 -0.002 0.000 1.113 10 S HN 0.078 nan 8.310 nan 0.000 0.458 11 I N 1.320 121.888 120.570 -0.003 0.000 2.497 11 I HA 0.427 4.596 4.170 -0.001 0.000 0.284 11 I C -0.629 175.488 176.117 -0.001 0.000 1.060 11 I CA -0.215 61.084 61.300 -0.001 0.000 1.071 11 I CB 1.908 39.908 38.000 0.000 0.000 1.216 11 I HN 0.840 nan 8.210 nan 0.000 0.442 12 E N 5.428 125.629 120.200 0.001 0.000 2.171 12 E HA 0.506 4.856 4.350 -0.001 0.000 0.271 12 E C -0.890 175.714 176.600 0.006 0.000 0.916 12 E CA -0.497 55.905 56.400 0.002 0.000 0.774 12 E CB 1.657 31.359 29.700 0.003 0.000 1.128 12 E HN 0.597 nan 8.360 nan 0.000 0.403 13 T N 2.379 116.937 114.554 0.007 0.000 2.794 13 T HA 0.613 4.962 4.350 -0.001 0.000 0.280 13 T C 0.030 174.737 174.700 0.012 0.000 0.987 13 T CA -0.741 61.366 62.100 0.012 0.000 0.993 13 T CB 0.557 69.434 68.868 0.015 0.000 0.939 13 T HN 0.362 nan 8.240 nan 0.000 0.449 14 I N 3.311 123.891 120.570 0.017 0.000 2.447 14 I HA 0.401 4.571 4.170 -0.001 0.000 0.287 14 I C -0.312 175.820 176.117 0.024 0.000 1.023 14 I CA -1.138 60.173 61.300 0.020 0.000 1.083 14 I CB 1.971 39.985 38.000 0.025 0.000 1.245 14 I HN 0.567 nan 8.210 nan 0.000 0.434 15 I N 6.523 127.106 120.570 0.022 0.000 2.371 15 I HA 0.300 4.470 4.170 -0.001 0.000 0.290 15 I C -0.427 175.713 176.117 0.038 0.000 1.028 15 I CA -0.568 60.747 61.300 0.025 0.000 1.345 15 I CB 1.276 39.286 38.000 0.017 0.000 1.407 15 I HN 0.209 nan 8.210 nan 0.000 0.501 16 V N 5.492 125.434 119.914 0.046 0.000 2.487 16 V HA 0.299 4.419 4.120 -0.001 0.000 0.298 16 V C -0.598 175.534 176.094 0.064 0.000 1.028 16 V CA -0.817 61.528 62.300 0.076 0.000 0.860 16 V CB 1.910 33.782 31.823 0.082 0.000 0.991 16 V HN 0.590 nan 8.190 nan 0.000 0.427 17 D N 5.634 126.093 120.400 0.099 0.000 2.329 17 D HA 0.572 5.212 4.640 -0.001 0.000 0.232 17 D C -0.579 175.757 176.300 0.059 0.000 1.088 17 D CA -0.030 54.017 54.000 0.078 0.000 0.835 17 D CB 2.300 43.156 40.800 0.092 0.000 1.078 17 D HN 0.311 nan 8.370 nan 0.000 0.495 18 L N 3.206 124.394 121.223 -0.058 0.000 2.362 18 L HA 0.433 4.773 4.340 -0.001 0.000 0.271 18 L C -2.431 174.356 176.870 -0.139 0.000 1.002 18 L CA -2.071 52.623 54.840 -0.244 0.000 0.818 18 L CB 2.214 44.105 42.059 -0.281 0.000 1.298 18 L HN -0.008 nan 8.230 nan 0.000 0.420 19 P HA 0.195 nan 4.420 nan 0.000 0.274 19 P C -0.748 176.527 177.300 -0.042 0.000 1.231 19 P CA -0.340 62.736 63.100 -0.041 0.000 0.790 19 P CB 0.916 32.618 31.700 0.004 0.000 0.951 20 T N -1.686 112.868 114.554 0.000 0.000 2.950 20 T HA 0.445 4.795 4.350 -0.001 0.000 0.288 20 T C 1.345 176.068 174.700 0.038 0.000 1.035 20 T CA -0.822 61.285 62.100 0.012 0.000 1.028 20 T CB 0.688 69.564 68.868 0.013 0.000 1.109 20 T HN 0.407 nan 8.240 nan 0.000 0.514 21 I N -1.431 119.175 120.570 0.061 0.000 2.676 21 I HA 0.224 4.394 4.170 -0.001 0.000 0.259 21 I C 0.746 176.915 176.117 0.087 0.000 1.194 21 I CA -0.033 61.316 61.300 0.082 0.000 1.473 21 I CB -0.375 37.699 38.000 0.122 0.000 1.096 21 I HN 0.771 nan 8.210 nan 0.000 0.443 22 R N -0.389 120.163 120.500 0.086 0.000 2.765 22 R HA 0.513 4.852 4.340 -0.001 0.000 0.277 22 R C -3.269 173.083 176.300 0.087 0.000 1.028 22 R CA -1.420 54.731 56.100 0.086 0.000 0.860 22 R CB -0.432 29.932 30.300 0.107 0.000 1.270 22 R HN -0.286 nan 8.270 nan 0.000 0.484 23 P HA 0.046 nan 4.420 nan 0.000 0.265 23 P C -1.217 176.146 177.300 0.106 0.000 1.193 23 P CA 0.085 63.221 63.100 0.060 0.000 0.765 23 P CB 0.296 32.009 31.700 0.021 0.000 0.823 24 H N 2.458 121.513 119.070 -0.024 0.000 2.685 24 H HA 0.303 4.859 4.556 -0.001 0.000 0.307 24 H C -0.467 174.838 175.328 -0.039 0.000 1.017 24 H CA -0.534 55.497 56.048 -0.028 0.000 1.237 24 H CB 0.484 30.239 29.762 -0.011 0.000 1.409 24 H HN 0.116 nan 8.280 nan 0.000 0.488 25 K N 6.141 126.418 120.400 -0.205 0.000 2.267 25 K HA 0.301 4.621 4.320 -0.001 0.000 0.282 25 K C -0.431 176.055 176.600 -0.191 0.000 1.078 25 K CA -0.356 55.829 56.287 -0.170 0.000 0.903 25 K CB 1.158 33.578 32.500 -0.134 0.000 1.111 25 K HN 0.432 nan 8.250 nan 0.000 0.475 26 L N 1.277 122.441 121.223 -0.098 0.000 2.365 26 L HA 0.345 4.685 4.340 -0.001 0.000 0.267 26 L C 1.602 178.451 176.870 -0.035 0.000 1.033 26 L CA -0.551 54.261 54.840 -0.047 0.000 0.802 26 L CB 1.233 43.334 42.059 0.071 0.000 1.267 26 L HN 0.692 nan 8.230 nan 0.000 0.457 27 A N 1.782 124.577 122.820 -0.042 0.000 1.940 27 A HA -0.188 4.132 4.320 -0.001 0.000 0.219 27 A C 1.778 179.352 177.584 -0.017 0.000 1.176 27 A CA 2.095 54.102 52.037 -0.051 0.000 0.631 27 A CB -0.355 18.589 19.000 -0.094 0.000 0.814 27 A HN 0.808 nan 8.150 nan 0.000 0.446 28 M N -2.341 117.269 119.600 0.017 0.000 2.414 28 M HA 0.277 4.757 4.480 -0.001 0.000 0.251 28 M C 0.182 176.562 176.300 0.133 0.000 1.116 28 M CA 0.858 56.186 55.300 0.046 0.000 1.056 28 M CB -0.841 31.770 32.600 0.018 0.000 1.388 28 M HN 0.419 nan 8.290 nan 0.000 0.487 29 H N -0.077 119.001 119.070 0.013 0.000 3.064 29 H HA 0.585 5.140 4.556 -0.001 0.000 0.352 29 H C -1.680 173.662 175.328 0.023 0.000 1.260 29 H CA -0.148 55.915 56.048 0.025 0.000 1.160 29 H CB 1.583 31.375 29.762 0.051 0.000 1.879 29 H HN 0.044 nan 8.280 nan 0.000 0.544 30 T N 5.183 119.313 114.554 -0.706 0.000 2.788 30 T HA 0.323 4.673 4.350 -0.001 0.000 0.296 30 T C 0.075 174.439 174.700 -0.559 0.000 1.009 30 T CA -0.648 61.187 62.100 -0.443 0.000 0.949 30 T CB 0.207 68.921 68.868 -0.256 0.000 0.946 30 T HN 0.430 nan 8.240 nan 0.000 0.453 31 M N 3.260 122.762 119.600 -0.163 0.000 2.200 31 M HA 0.210 4.689 4.480 -0.001 0.000 0.355 31 M C 1.040 177.353 176.300 0.023 0.000 1.283 31 M CA -0.152 55.165 55.300 0.029 0.000 1.124 31 M CB 0.917 33.613 32.600 0.160 0.000 1.625 31 M HN 0.442 nan 8.290 nan 0.000 0.463 32 Q N 1.837 121.661 119.800 0.041 0.000 2.246 32 Q HA 0.215 4.555 4.340 -0.001 0.000 0.222 32 Q C -0.357 175.673 176.000 0.049 0.000 0.851 32 Q CA 0.256 56.081 55.803 0.037 0.000 0.945 32 Q CB 0.585 29.341 28.738 0.029 0.000 1.122 32 Q HN 0.905 nan 8.270 nan 0.000 0.508 33 N N -0.589 118.146 118.700 0.058 0.000 3.395 33 N HA 0.157 4.896 4.740 -0.001 0.000 0.293 33 N C -1.483 174.049 175.510 0.037 0.000 1.489 33 N CA -0.423 52.651 53.050 0.041 0.000 0.871 33 N CB 1.187 39.701 38.487 0.045 0.000 1.649 33 N HN -0.151 nan 8.380 nan 0.000 0.501 34 Q N -0.581 119.226 119.800 0.011 0.000 2.345 34 Q HA 0.629 4.969 4.340 -0.001 0.000 0.275 34 Q C -1.904 174.095 176.000 -0.003 0.000 1.063 34 Q CA -0.191 55.613 55.803 0.001 0.000 0.819 34 Q CB 2.076 30.798 28.738 -0.026 0.000 1.356 34 Q HN 0.664 nan 8.270 nan 0.000 0.418 35 T N 3.920 118.474 114.554 0.002 0.000 2.812 35 T HA 0.681 5.031 4.350 -0.001 0.000 0.282 35 T C -0.683 174.019 174.700 0.003 0.000 0.990 35 T CA -0.511 61.592 62.100 0.006 0.000 0.960 35 T CB 0.370 69.243 68.868 0.009 0.000 0.948 35 T HN 0.499 nan 8.240 nan 0.000 0.438 36 L N 2.023 123.250 121.223 0.008 0.000 2.319 36 L HA 0.825 5.165 4.340 -0.001 0.000 0.267 36 L C -0.648 176.235 176.870 0.021 0.000 1.011 36 L CA -1.414 53.433 54.840 0.012 0.000 0.818 36 L CB 1.743 43.805 42.059 0.006 0.000 1.316 36 L HN 0.271 nan 8.230 nan 0.000 0.432 37 V N 2.708 122.637 119.914 0.025 0.000 2.326 37 V HA 0.294 4.413 4.120 -0.001 0.000 0.281 37 V C -0.302 175.806 176.094 0.024 0.000 1.015 37 V CA -0.429 61.887 62.300 0.027 0.000 0.823 37 V CB 1.631 33.474 31.823 0.033 0.000 1.009 37 V HN 0.441 nan 8.190 nan 0.000 0.436 38 L N 7.044 128.281 121.223 0.023 0.000 2.326 38 L HA 0.612 4.951 4.340 -0.001 0.000 0.278 38 L C -0.421 176.458 176.870 0.015 0.000 1.092 38 L CA 0.452 55.303 54.840 0.019 0.000 0.810 38 L CB 0.859 42.933 42.059 0.024 0.000 1.153 38 L HN 0.520 nan 8.230 nan 0.000 0.439 39 I N 5.607 126.182 120.570 0.009 0.000 2.389 39 I HA 0.442 4.611 4.170 -0.001 0.000 0.288 39 I C -0.257 175.861 176.117 0.002 0.000 0.999 39 I CA -0.588 60.716 61.300 0.007 0.000 1.129 39 I CB 1.123 39.126 38.000 0.004 0.000 1.288 39 I HN 0.555 nan 8.210 nan 0.000 0.444 40 R N 6.818 127.320 120.500 0.003 0.000 2.275 40 R HA 0.520 4.860 4.340 -0.001 0.000 0.326 40 R C -1.024 175.275 176.300 -0.002 0.000 0.973 40 R CA -0.668 55.433 56.100 0.001 0.000 0.854 40 R CB 1.891 32.194 30.300 0.005 0.000 1.156 40 R HN 0.522 nan 8.270 nan 0.000 0.487 41 L N 4.080 125.300 121.223 -0.006 0.000 2.280 41 L HA 0.463 4.802 4.340 -0.001 0.000 0.287 41 L C -0.530 176.335 176.870 -0.007 0.000 1.023 41 L CA -0.580 54.255 54.840 -0.007 0.000 0.819 41 L CB 0.719 42.771 42.059 -0.012 0.000 1.212 41 L HN 0.478 nan 8.230 nan 0.000 0.420 42 R N 4.011 124.508 120.500 -0.005 0.000 2.460 42 R HA 0.582 4.921 4.340 -0.001 0.000 0.303 42 R C -1.065 175.234 176.300 -0.001 0.000 0.968 42 R CA -0.662 55.437 56.100 -0.003 0.000 0.889 42 R CB 1.674 31.974 30.300 -0.000 0.000 1.123 42 R HN 0.596 nan 8.270 nan 0.000 0.455 43 C N 0.749 120.050 119.300 0.001 0.000 2.486 43 C HA 0.444 4.904 4.460 -0.001 0.000 0.348 43 C C 1.930 176.928 174.990 0.014 0.000 1.203 43 C CA -0.594 58.427 59.018 0.006 0.000 1.911 43 C CB 1.407 29.149 27.740 0.003 0.000 2.340 43 C HN 0.995 nan 8.230 nan 0.000 0.511 44 A N 0.975 123.809 122.820 0.024 0.000 2.024 44 A HA -0.162 4.157 4.320 -0.001 0.000 0.220 44 A C 1.358 178.957 177.584 0.026 0.000 1.164 44 A CA 2.237 54.291 52.037 0.028 0.000 0.643 44 A CB -0.591 18.434 19.000 0.042 0.000 0.806 44 A HN 0.978 nan 8.150 nan 0.000 0.451 45 D N -2.012 118.406 120.400 0.030 0.000 2.325 45 D HA 0.325 4.965 4.640 -0.001 0.000 0.234 45 D C 1.075 177.384 176.300 0.015 0.000 1.122 45 D CA 0.600 54.614 54.000 0.025 0.000 0.850 45 D CB -0.792 40.028 40.800 0.033 0.000 0.921 45 D HN 0.652 nan 8.370 nan 0.000 0.513 46 G N 0.113 108.920 108.800 0.012 0.000 2.148 46 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.254 46 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.254 46 G C 0.107 175.010 174.900 0.005 0.000 0.981 46 G CA 0.172 45.277 45.100 0.007 0.000 0.670 46 G HN 0.473 nan 8.290 nan 0.000 0.528 47 I N 0.584 121.157 120.570 0.005 0.000 2.385 47 I HA 0.438 4.608 4.170 -0.001 0.000 0.294 47 I C 0.403 176.518 176.117 -0.003 0.000 0.988 47 I CA -0.545 60.755 61.300 -0.000 0.000 1.265 47 I CB 1.646 39.645 38.000 -0.002 0.000 1.388 47 I HN 0.211 nan 8.210 nan 0.000 0.480 48 E N 4.429 124.626 120.200 -0.006 0.000 2.171 48 E HA 0.580 4.929 4.350 -0.001 0.000 0.271 48 E C -0.671 175.921 176.600 -0.014 0.000 0.916 48 E CA -0.663 55.733 56.400 -0.007 0.000 0.774 48 E CB 1.813 31.511 29.700 -0.003 0.000 1.128 48 E HN 0.769 nan 8.360 nan 0.000 0.403 49 G N 4.006 112.796 108.800 -0.017 0.000 2.416 49 G HA2 0.550 4.510 3.960 -0.001 0.000 0.329 49 G HA3 0.550 4.510 3.960 -0.001 0.000 0.329 49 G C -0.930 173.956 174.900 -0.023 0.000 1.173 49 G CA -0.616 44.468 45.100 -0.026 0.000 0.929 49 G HN 0.465 nan 8.290 nan 0.000 0.475 50 L N 1.407 122.612 121.223 -0.029 0.000 2.329 50 L HA 0.794 5.133 4.340 -0.001 0.000 0.279 50 L C 0.658 177.509 176.870 -0.031 0.000 1.014 50 L CA -0.692 54.135 54.840 -0.023 0.000 0.814 50 L CB 2.202 44.250 42.059 -0.017 0.000 1.257 50 L HN 0.688 nan 8.230 nan 0.000 0.424 51 G N 1.258 110.044 108.800 -0.023 0.000 2.680 51 G HA2 0.627 4.587 3.960 -0.001 0.000 0.290 51 G HA3 0.627 4.587 3.960 -0.001 0.000 0.290 51 G C -1.963 172.927 174.900 -0.016 0.000 1.355 51 G CA -0.269 44.814 45.100 -0.028 0.000 0.903 51 G HN 0.531 nan 8.290 nan 0.000 0.474 52 E N -0.371 119.817 120.200 -0.020 0.000 2.290 52 E HA 0.551 4.901 4.350 -0.001 0.000 0.274 52 E C -1.392 175.207 176.600 -0.002 0.000 0.889 52 E CA -0.598 55.797 56.400 -0.009 0.000 0.760 52 E CB 1.843 31.534 29.700 -0.016 0.000 1.206 52 E HN 0.277 nan 8.360 nan 0.000 0.419 53 S N 2.449 118.167 115.700 0.029 0.000 2.640 53 S HA 0.477 4.947 4.470 -0.001 0.000 0.320 53 S C -1.024 173.639 174.600 0.105 0.000 1.097 53 S CA -0.480 57.767 58.200 0.079 0.000 1.092 53 S CB 1.693 64.954 63.200 0.103 0.000 0.988 53 S HN 0.459 nan 8.310 nan 0.000 0.470 54 T N 2.047 116.682 114.554 0.134 0.000 2.900 54 T HA 0.692 5.041 4.350 -0.001 0.000 0.295 54 T C -0.076 174.754 174.700 0.215 0.000 1.044 54 T CA -0.508 61.659 62.100 0.113 0.000 0.995 54 T CB 2.182 71.066 68.868 0.027 0.000 1.072 54 T HN 0.487 nan 8.240 nan 0.000 0.473 55 T N 0.984 115.603 114.554 0.107 0.000 2.604 55 T HA 0.812 5.161 4.350 -0.001 0.000 0.267 55 T C -1.437 173.235 174.700 -0.047 0.000 0.923 55 T CA -0.658 61.485 62.100 0.072 0.000 1.077 55 T CB 0.771 69.547 68.868 -0.153 0.000 1.392 55 T HN 0.481 nan 8.240 nan 0.000 0.531 56 I N 0.884 121.394 120.570 -0.100 0.000 2.498 56 I HA 0.509 4.679 4.170 -0.001 0.000 0.290 56 I C 0.885 176.963 176.117 -0.066 0.000 1.032 56 I CA -0.491 60.770 61.300 -0.066 0.000 1.073 56 I CB 1.855 39.793 38.000 -0.103 0.000 1.251 56 I HN 0.978 nan 8.210 nan 0.000 0.426 57 G N 4.326 113.051 108.800 -0.125 0.000 2.305 57 G HA2 -0.068 3.892 3.960 -0.001 0.000 0.287 57 G HA3 -0.068 3.892 3.960 -0.001 0.000 0.287 57 G C 0.876 175.567 174.900 -0.348 0.000 1.036 57 G CA 0.681 45.483 45.100 -0.497 0.000 0.887 57 G HN 1.511 nan 8.290 nan 0.000 0.505 58 G N -0.728 107.969 108.800 -0.171 0.000 2.846 58 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.317 58 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.317 58 G C 0.913 175.736 174.900 -0.127 0.000 1.210 58 G CA 0.818 45.842 45.100 -0.127 0.000 0.972 58 G HN 1.374 nan 8.290 nan 0.000 0.567 59 L N 1.610 122.760 121.223 -0.121 0.000 3.069 59 L HA 0.532 4.871 4.340 -0.001 0.000 0.271 59 L C 2.627 179.445 176.870 -0.087 0.000 1.201 59 L CA 0.759 55.539 54.840 -0.100 0.000 1.015 59 L CB 0.516 42.526 42.059 -0.081 0.000 1.371 59 L HN 0.624 nan 8.230 nan 0.000 0.574 60 A N -0.499 122.253 122.820 -0.114 0.000 2.066 60 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 60 A C 1.863 179.434 177.584 -0.021 0.000 1.157 60 A CA 1.333 53.317 52.037 -0.088 0.000 0.670 60 A CB -0.209 18.681 19.000 -0.183 0.000 0.804 60 A HN 0.484 nan 8.150 nan 0.000 0.453 61 Y N -1.027 119.206 120.300 -0.110 0.000 2.351 61 Y HA 0.426 4.975 4.550 -0.001 0.000 0.291 61 Y C 1.386 177.246 175.900 -0.066 0.000 1.153 61 Y CA 0.631 58.695 58.100 -0.060 0.000 1.193 61 Y CB 0.095 38.537 38.460 -0.030 0.000 1.187 61 Y HN 0.299 nan 8.280 nan 0.000 0.524 62 G N -0.477 108.394 108.800 0.118 0.000 2.816 62 G HA2 0.186 4.146 3.960 -0.001 0.000 0.288 62 G HA3 0.186 4.146 3.960 -0.001 0.000 0.288 62 G C -0.545 174.283 174.900 -0.119 0.000 1.334 62 G CA -0.374 44.719 45.100 -0.013 0.000 0.978 62 G HN 0.324 nan 8.290 nan 0.000 0.493 63 N N -1.085 117.541 118.700 -0.124 0.000 2.515 63 N HA -0.001 4.739 4.740 -0.001 0.000 0.185 63 N C 0.243 175.662 175.510 -0.152 0.000 1.109 63 N CA 0.474 53.456 53.050 -0.112 0.000 0.903 63 N CB 0.341 38.786 38.487 -0.069 0.000 0.969 63 N HN 0.555 nan 8.380 nan 0.000 0.450 64 E N 0.258 120.295 120.200 -0.271 0.000 2.156 64 E HA 0.322 4.672 4.350 -0.001 0.000 0.279 64 E C -0.579 175.848 176.600 -0.288 0.000 0.965 64 E CA -0.731 55.504 56.400 -0.275 0.000 0.789 64 E CB 1.349 30.836 29.700 -0.356 0.000 1.098 64 E HN 0.360 nan 8.360 nan 0.000 0.397 65 S N 1.973 117.574 115.700 -0.165 0.000 2.681 65 S HA 0.384 4.854 4.470 -0.001 0.000 0.299 65 S C -2.115 172.432 174.600 -0.089 0.000 1.113 65 S CA -1.496 56.627 58.200 -0.129 0.000 1.013 65 S CB 1.783 64.933 63.200 -0.084 0.000 1.076 65 S HN 0.143 nan 8.310 nan 0.000 0.534 66 P HA -0.057 nan 4.420 nan 0.000 0.216 66 P C 0.251 177.542 177.300 -0.015 0.000 1.150 66 P CA 1.348 64.433 63.100 -0.025 0.000 0.837 66 P CB -0.152 31.539 31.700 -0.014 0.000 0.786 67 D N -0.876 119.512 120.400 -0.020 0.000 2.097 67 D HA -0.147 4.493 4.640 -0.001 0.000 0.195 67 D C 2.075 178.372 176.300 -0.005 0.000 0.989 67 D CA 1.852 55.846 54.000 -0.010 0.000 0.827 67 D CB -0.741 40.051 40.800 -0.013 0.000 0.966 67 D HN 0.207 nan 8.370 nan 0.000 0.456 68 S N 0.001 115.692 115.700 -0.015 0.000 2.428 68 S HA -0.046 4.424 4.470 -0.001 0.000 0.230 68 S C 2.036 176.643 174.600 0.013 0.000 1.014 68 S CA 0.246 58.445 58.200 -0.002 0.000 0.957 68 S CB -0.505 62.684 63.200 -0.019 0.000 0.784 68 S HN 0.228 nan 8.310 nan 0.000 0.499 69 I N 1.910 122.481 120.570 0.003 0.000 2.226 69 I HA -0.166 4.004 4.170 -0.001 0.000 0.245 69 I C 2.758 178.898 176.117 0.039 0.000 1.100 69 I CA 1.636 62.952 61.300 0.027 0.000 1.374 69 I CB -0.267 37.751 38.000 0.031 0.000 1.057 69 I HN 0.354 nan 8.210 nan 0.000 0.413 70 K N 0.632 121.047 120.400 0.026 0.000 2.057 70 K HA -0.167 4.152 4.320 -0.001 0.000 0.207 70 K C 2.045 178.663 176.600 0.029 0.000 1.049 70 K CA 1.922 58.223 56.287 0.025 0.000 0.931 70 K CB -0.106 32.403 32.500 0.015 0.000 0.714 70 K HN 0.171 nan 8.250 nan 0.000 0.440 71 T N 0.933 115.507 114.554 0.033 0.000 2.652 71 T HA -0.128 4.222 4.350 -0.001 0.000 0.267 71 T C 1.495 176.247 174.700 0.086 0.000 1.039 71 T CA 1.929 64.055 62.100 0.043 0.000 1.153 71 T CB -0.414 68.483 68.868 0.048 0.000 0.863 71 T HN 0.439 nan 8.240 nan 0.000 0.428 72 N N 0.268 119.046 118.700 0.130 0.000 2.244 72 N HA 0.072 4.812 4.740 -0.001 0.000 0.183 72 N C 1.850 177.480 175.510 0.200 0.000 1.016 72 N CA 0.639 53.835 53.050 0.243 0.000 0.866 72 N CB -0.132 38.457 38.487 0.171 0.000 0.980 72 N HN 0.316 nan 8.380 nan 0.000 0.430 73 I N 1.114 121.748 120.570 0.106 0.000 2.202 73 I HA -0.221 3.949 4.170 -0.001 0.000 0.242 73 I C 1.506 177.649 176.117 0.043 0.000 1.091 73 I CA 1.062 62.408 61.300 0.077 0.000 1.368 73 I CB -0.200 37.830 38.000 0.050 0.000 1.058 73 I HN 0.080 nan 8.210 nan 0.000 0.410 74 D N 0.477 120.886 120.400 0.016 0.000 2.117 74 D HA -0.211 4.429 4.640 -0.001 0.000 0.197 74 D C 2.228 178.476 176.300 -0.088 0.000 0.987 74 D CA 1.253 55.238 54.000 -0.026 0.000 0.829 74 D CB -0.206 40.577 40.800 -0.028 0.000 0.961 74 D HN 0.148 nan 8.370 nan 0.000 0.460 75 R N -1.025 119.388 120.500 -0.144 0.000 2.127 75 R HA 0.058 4.398 4.340 -0.001 0.000 0.217 75 R C 1.395 177.288 176.300 -0.677 0.000 1.074 75 R CA 0.956 56.799 56.100 -0.428 0.000 0.991 75 R CB -0.042 29.920 30.300 -0.563 0.000 0.895 75 R HN 0.123 nan 8.270 nan 0.000 0.450 76 F N -2.400 117.550 119.950 0.001 0.000 2.577 76 F HA 0.225 4.752 4.527 -0.000 0.000 0.276 76 F C 1.812 177.613 175.800 0.001 0.000 1.032 76 F CA -0.015 57.985 58.000 0.001 0.000 1.297 76 F CB -0.086 38.915 39.000 0.002 0.000 1.061 76 F HN -0.257 nan 8.300 nan 0.000 0.680 77 V N 0.424 120.441 119.914 0.171 0.000 2.283 77 V HA -0.217 3.903 4.120 -0.001 0.000 0.243 77 V C 2.619 178.743 176.094 0.050 0.000 1.039 77 V CA 1.952 64.310 62.300 0.097 0.000 1.016 77 V CB -1.244 30.626 31.823 0.077 0.000 0.650 77 V HN 0.303 nan 8.190 nan 0.000 0.449 78 A N 0.680 123.515 122.820 0.026 0.000 1.892 78 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 78 A C 0.570 178.154 177.584 -0.000 0.000 1.188 78 A CA 2.433 54.473 52.037 0.005 0.000 0.631 78 A CB -2.061 16.932 19.000 -0.011 0.000 0.822 78 A HN 0.534 nan 8.150 nan 0.000 0.447 79 P HA -0.125 nan 4.420 nan 0.000 0.218 79 P C 1.384 178.690 177.300 0.011 0.000 1.148 79 P CA 0.878 63.972 63.100 -0.010 0.000 0.822 79 P CB -0.094 31.588 31.700 -0.030 0.000 0.784 80 L N -1.991 119.249 121.223 0.028 0.000 2.179 80 L HA -0.062 4.278 4.340 -0.001 0.000 0.208 80 L C 2.185 179.066 176.870 0.018 0.000 1.096 80 L CA 1.059 55.918 54.840 0.031 0.000 0.779 80 L CB -0.424 41.664 42.059 0.048 0.000 0.922 80 L HN -0.010 nan 8.230 nan 0.000 0.443 81 L N -0.969 120.262 121.223 0.013 0.000 2.357 81 L HA 0.121 4.461 4.340 -0.001 0.000 0.211 81 L C 0.930 177.799 176.870 -0.001 0.000 1.075 81 L CA -0.135 54.708 54.840 0.004 0.000 0.830 81 L CB 0.256 42.317 42.059 0.003 0.000 0.996 81 L HN 0.054 nan 8.230 nan 0.000 0.467 82 I N 1.236 121.806 120.570 0.000 0.000 2.742 82 I HA -0.044 4.126 4.170 -0.001 0.000 0.287 82 I C 1.334 177.452 176.117 0.002 0.000 1.186 82 I CA 1.139 62.438 61.300 -0.001 0.000 1.417 82 I CB 0.241 38.239 38.000 -0.003 0.000 1.377 82 I HN 0.411 nan 8.210 nan 0.000 0.556 83 G N 4.032 112.835 108.800 0.004 0.000 2.232 83 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.226 83 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.226 83 G C 0.258 175.164 174.900 0.010 0.000 0.996 83 G CA -0.578 44.528 45.100 0.011 0.000 0.626 83 G HN 0.510 nan 8.290 nan 0.000 0.509 84 Q N 0.909 120.707 119.800 -0.004 0.000 2.306 84 Q HA 0.400 4.740 4.340 -0.001 0.000 0.241 84 Q C -0.361 175.606 176.000 -0.054 0.000 0.948 84 Q CA -0.412 55.379 55.803 -0.019 0.000 0.886 84 Q CB 1.116 29.841 28.738 -0.022 0.000 1.227 84 Q HN 0.366 nan 8.270 nan 0.000 0.457 85 D N 0.332 120.666 120.400 -0.109 0.000 2.346 85 D HA 0.135 4.775 4.640 -0.001 0.000 0.260 85 D C 0.473 176.644 176.300 -0.216 0.000 1.252 85 D CA 0.115 53.944 54.000 -0.284 0.000 0.895 85 D CB 0.725 41.244 40.800 -0.468 0.000 1.097 85 D HN 0.537 nan 8.370 nan 0.000 0.489 86 A N 3.127 125.842 122.820 -0.174 0.000 2.121 86 A HA -0.105 4.215 4.320 -0.001 0.000 0.218 86 A C 2.012 179.529 177.584 -0.111 0.000 1.154 86 A CA 1.308 53.281 52.037 -0.107 0.000 0.679 86 A CB -0.413 18.547 19.000 -0.066 0.000 0.795 86 A HN 0.594 nan 8.150 nan 0.000 0.458 87 S N -0.464 115.137 115.700 -0.166 0.000 2.561 87 S HA 0.003 4.473 4.470 -0.001 0.000 0.225 87 S C 0.642 175.187 174.600 -0.092 0.000 0.977 87 S CA 0.407 58.540 58.200 -0.112 0.000 0.926 87 S CB -0.284 62.859 63.200 -0.095 0.000 0.769 87 S HN 0.426 nan 8.310 nan 0.000 0.533 88 N N 1.201 119.835 118.700 -0.110 0.000 2.816 88 N HA 0.366 5.105 4.740 -0.001 0.000 0.236 88 N C 0.435 175.912 175.510 -0.055 0.000 1.076 88 N CA -0.391 52.617 53.050 -0.069 0.000 0.902 88 N CB 0.247 38.693 38.487 -0.069 0.000 1.149 88 N HN 0.308 nan 8.380 nan 0.000 0.506 89 I N 1.261 121.805 120.570 -0.043 0.000 2.315 89 I HA -0.237 3.932 4.170 -0.001 0.000 0.248 89 I C 2.044 178.145 176.117 -0.026 0.000 1.117 89 I CA 0.687 61.966 61.300 -0.035 0.000 1.404 89 I CB -0.088 37.893 38.000 -0.032 0.000 1.071 89 I HN 0.416 nan 8.210 nan 0.000 0.419 90 N N 1.509 120.196 118.700 -0.021 0.000 2.120 90 N HA -0.167 4.573 4.740 -0.001 0.000 0.188 90 N C 1.827 177.329 175.510 -0.014 0.000 1.024 90 N CA 1.881 54.922 53.050 -0.014 0.000 0.852 90 N CB -0.112 38.369 38.487 -0.010 0.000 1.003 90 N HN 0.312 nan 8.380 nan 0.000 0.424 91 A N 0.179 122.988 122.820 -0.018 0.000 1.902 91 A HA 0.100 4.420 4.320 -0.001 0.000 0.217 91 A C 2.350 179.925 177.584 -0.015 0.000 1.181 91 A CA 1.854 53.882 52.037 -0.015 0.000 0.623 91 A CB -1.206 17.783 19.000 -0.019 0.000 0.818 91 A HN 0.453 nan 8.150 nan 0.000 0.443 92 A N -0.823 121.984 122.820 -0.022 0.000 1.877 92 A HA -0.105 4.215 4.320 -0.001 0.000 0.216 92 A C 2.137 179.715 177.584 -0.010 0.000 1.186 92 A CA 1.976 54.002 52.037 -0.019 0.000 0.620 92 A CB -0.452 18.531 19.000 -0.028 0.000 0.822 92 A HN 0.415 nan 8.150 nan 0.000 0.443 93 M N -0.505 119.088 119.600 -0.011 0.000 2.254 93 M HA 0.063 4.542 4.480 -0.001 0.000 0.265 93 M C 2.012 178.311 176.300 -0.003 0.000 1.066 93 M CA 0.994 56.290 55.300 -0.006 0.000 1.123 93 M CB -1.271 31.323 32.600 -0.009 0.000 1.388 93 M HN 0.369 nan 8.290 nan 0.000 0.425 94 L N -0.877 120.343 121.223 -0.004 0.000 2.156 94 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 94 L C 2.693 179.563 176.870 0.000 0.000 1.095 94 L CA 0.739 55.578 54.840 -0.002 0.000 0.770 94 L CB -0.520 41.537 42.059 -0.003 0.000 0.914 94 L HN 0.298 nan 8.230 nan 0.000 0.439 95 R N 0.616 121.116 120.500 0.001 0.000 2.096 95 R HA -0.146 4.194 4.340 -0.001 0.000 0.235 95 R C 2.251 178.557 176.300 0.010 0.000 1.127 95 R CA 1.238 57.341 56.100 0.005 0.000 0.968 95 R CB -0.083 30.219 30.300 0.004 0.000 0.861 95 R HN 0.318 nan 8.270 nan 0.000 0.440 96 L N 0.233 121.462 121.223 0.010 0.000 2.056 96 L HA -0.115 4.225 4.340 -0.001 0.000 0.207 96 L C 2.425 179.300 176.870 0.009 0.000 1.078 96 L CA 1.151 56.001 54.840 0.016 0.000 0.749 96 L CB -0.441 41.629 42.059 0.017 0.000 0.901 96 L HN 0.200 nan 8.230 nan 0.000 0.433 97 E N 0.757 120.960 120.200 0.005 0.000 2.153 97 E HA -0.260 4.090 4.350 -0.001 0.000 0.194 97 E C 2.127 178.725 176.600 -0.002 0.000 0.988 97 E CA 1.391 57.791 56.400 0.001 0.000 0.811 97 E CB -0.070 29.630 29.700 0.000 0.000 0.746 97 E HN 0.616 nan 8.360 nan 0.000 0.466 98 Q N -1.445 118.355 119.800 -0.000 0.000 2.378 98 Q HA 0.076 4.416 4.340 -0.001 0.000 0.205 98 Q C 1.439 177.437 176.000 -0.003 0.000 0.954 98 Q CA 1.399 57.201 55.803 -0.001 0.000 0.901 98 Q CB 0.261 29.000 28.738 0.001 0.000 0.981 98 Q HN -0.005 nan 8.270 nan 0.000 0.483 99 S N -0.195 115.505 115.700 -0.001 0.000 2.559 99 S HA 0.363 4.833 4.470 -0.001 0.000 0.226 99 S C 0.199 174.782 174.600 -0.029 0.000 1.030 99 S CA -0.411 57.787 58.200 -0.004 0.000 0.956 99 S CB 0.703 63.915 63.200 0.020 0.000 0.900 99 S HN 0.234 nan 8.310 nan 0.000 0.510 100 I N 2.917 123.471 120.570 -0.027 0.000 2.410 100 I HA 0.411 4.581 4.170 -0.001 0.000 0.286 100 I C -0.586 175.505 176.117 -0.042 0.000 1.009 100 I CA -0.740 60.529 61.300 -0.052 0.000 1.111 100 I CB 1.288 39.273 38.000 -0.024 0.000 1.262 100 I HN -0.132 nan 8.210 nan 0.000 0.443 101 R N 4.119 124.582 120.500 -0.061 0.000 2.349 101 R HA 0.577 4.917 4.340 -0.001 0.000 0.299 101 R C 0.685 176.968 176.300 -0.030 0.000 1.027 101 R CA 0.146 56.221 56.100 -0.041 0.000 0.958 101 R CB 1.126 31.397 30.300 -0.048 0.000 1.047 101 R HN 0.914 nan 8.270 nan 0.000 0.468 102 G N 2.902 111.698 108.800 -0.006 0.000 2.574 102 G HA2 -0.405 3.555 3.960 -0.001 0.000 0.286 102 G HA3 -0.405 3.555 3.960 -0.001 0.000 0.286 102 G C -0.145 174.773 174.900 0.030 0.000 1.212 102 G CA 0.331 45.440 45.100 0.014 0.000 0.979 102 G HN 0.808 nan 8.290 nan 0.000 0.557 103 N N -0.023 118.705 118.700 0.047 0.000 2.727 103 N HA -0.252 4.487 4.740 -0.001 0.000 0.249 103 N C 1.572 177.151 175.510 0.116 0.000 1.048 103 N CA 1.945 55.039 53.050 0.073 0.000 0.714 103 N CB -1.311 37.198 38.487 0.037 0.000 0.959 103 N HN 1.513 nan 8.380 nan 0.000 0.544 104 T N -3.443 111.205 114.554 0.157 0.000 2.788 104 T HA -0.110 4.240 4.350 -0.001 0.000 0.268 104 T C 1.574 176.348 174.700 0.122 0.000 1.044 104 T CA 0.922 63.092 62.100 0.116 0.000 1.139 104 T CB -0.293 68.625 68.868 0.083 0.000 0.867 104 T HN 0.212 nan 8.240 nan 0.000 0.454 105 F N 2.479 122.429 119.950 -0.001 0.000 2.102 105 F HA 0.197 4.723 4.527 -0.001 0.000 0.298 105 F C 2.990 178.786 175.800 -0.007 0.000 1.105 105 F CA 0.601 58.597 58.000 -0.006 0.000 1.239 105 F CB -1.145 37.851 39.000 -0.007 0.000 0.991 105 F HN 0.276 nan 8.300 nan 0.000 0.474 106 A N -0.005 122.935 122.820 0.200 0.000 1.877 106 A HA -0.212 4.108 4.320 -0.001 0.000 0.216 106 A C 2.228 179.851 177.584 0.065 0.000 1.186 106 A CA 1.767 53.870 52.037 0.109 0.000 0.620 106 A CB -0.674 18.380 19.000 0.091 0.000 0.822 106 A HN 0.335 nan 8.150 nan 0.000 0.443 107 K N -0.371 120.062 120.400 0.056 0.000 2.103 107 K HA -0.122 4.198 4.320 -0.001 0.000 0.207 107 K C 2.433 179.033 176.600 -0.001 0.000 1.048 107 K CA 1.373 57.675 56.287 0.024 0.000 0.930 107 K CB -0.231 32.282 32.500 0.020 0.000 0.716 107 K HN 0.452 nan 8.250 nan 0.000 0.444 108 S N 0.235 115.926 115.700 -0.017 0.000 2.368 108 S HA -0.121 4.349 4.470 -0.001 0.000 0.225 108 S C 2.102 176.676 174.600 -0.043 0.000 1.030 108 S CA 1.563 59.730 58.200 -0.055 0.000 0.999 108 S CB -0.502 62.628 63.200 -0.117 0.000 0.844 108 S HN 0.487 nan 8.310 nan 0.000 0.459 109 G N 1.719 110.508 108.800 -0.017 0.000 2.422 109 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.218 109 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.218 109 G C 1.404 176.295 174.900 -0.014 0.000 1.146 109 G CA 0.827 45.920 45.100 -0.012 0.000 0.769 109 G HN 0.495 nan 8.290 nan 0.000 0.547 110 I N 0.967 121.534 120.570 -0.004 0.000 2.179 110 I HA -0.108 4.061 4.170 -0.001 0.000 0.242 110 I C 2.497 178.602 176.117 -0.020 0.000 1.088 110 I CA 1.288 62.584 61.300 -0.006 0.000 1.357 110 I CB -1.001 37.002 38.000 0.005 0.000 1.051 110 I HN 0.346 nan 8.210 nan 0.000 0.409 111 E N 0.704 120.889 120.200 -0.025 0.000 2.106 111 E HA -0.161 4.189 4.350 -0.001 0.000 0.192 111 E C 2.274 178.846 176.600 -0.048 0.000 0.984 111 E CA 1.258 57.638 56.400 -0.034 0.000 0.806 111 E CB 0.244 29.923 29.700 -0.035 0.000 0.750 111 E HN 0.331 nan 8.360 nan 0.000 0.458 112 S N 0.364 116.031 115.700 -0.054 0.000 2.368 112 S HA -0.164 4.306 4.470 -0.001 0.000 0.225 112 S C 2.006 176.567 174.600 -0.065 0.000 1.030 112 S CA 1.010 59.168 58.200 -0.070 0.000 0.999 112 S CB -0.182 62.975 63.200 -0.072 0.000 0.844 112 S HN 0.460 nan 8.310 nan 0.000 0.459 113 A N 1.293 124.085 122.820 -0.047 0.000 1.898 113 A HA 0.036 4.356 4.320 -0.001 0.000 0.216 113 A C 2.108 179.666 177.584 -0.043 0.000 1.181 113 A CA 1.036 53.048 52.037 -0.041 0.000 0.620 113 A CB -0.662 18.322 19.000 -0.026 0.000 0.819 113 A HN 0.445 nan 8.150 nan 0.000 0.442 114 L N -0.752 120.447 121.223 -0.041 0.000 2.056 114 L HA -0.158 4.182 4.340 -0.001 0.000 0.207 114 L C 2.538 179.378 176.870 -0.049 0.000 1.078 114 L CA 0.953 55.768 54.840 -0.041 0.000 0.749 114 L CB -0.464 41.572 42.059 -0.038 0.000 0.901 114 L HN 0.371 nan 8.230 nan 0.000 0.433 115 L N -0.479 120.708 121.223 -0.059 0.000 2.056 115 L HA -0.231 4.109 4.340 -0.001 0.000 0.207 115 L C 2.250 179.069 176.870 -0.086 0.000 1.078 115 L CA 1.283 56.081 54.840 -0.071 0.000 0.749 115 L CB -0.486 41.523 42.059 -0.085 0.000 0.901 115 L HN 0.284 nan 8.230 nan 0.000 0.433 116 D N 0.088 120.433 120.400 -0.092 0.000 2.097 116 D HA -0.198 4.442 4.640 -0.001 0.000 0.195 116 D C 2.152 178.412 176.300 -0.066 0.000 0.989 116 D CA 1.513 55.456 54.000 -0.096 0.000 0.827 116 D CB 0.118 40.868 40.800 -0.084 0.000 0.966 116 D HN 0.239 nan 8.370 nan 0.000 0.456 117 A N -0.177 122.613 122.820 -0.050 0.000 1.902 117 A HA -0.202 4.118 4.320 -0.001 0.000 0.217 117 A C 2.212 179.776 177.584 -0.033 0.000 1.181 117 A CA 1.980 53.995 52.037 -0.035 0.000 0.623 117 A CB -0.918 18.064 19.000 -0.030 0.000 0.818 117 A HN 0.340 nan 8.150 nan 0.000 0.443 118 Q N -0.151 119.626 119.800 -0.038 0.000 2.167 118 Q HA -0.013 4.326 4.340 -0.001 0.000 0.202 118 Q C 1.882 177.864 176.000 -0.029 0.000 0.970 118 Q CA 1.936 57.720 55.803 -0.032 0.000 0.855 118 Q CB -0.812 27.905 28.738 -0.035 0.000 0.911 118 Q HN 0.509 nan 8.270 nan 0.000 0.438 119 G N 0.290 109.065 108.800 -0.042 0.000 2.402 119 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.216 119 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.216 119 G C 1.253 176.137 174.900 -0.027 0.000 1.162 119 G CA 0.768 45.843 45.100 -0.040 0.000 0.777 119 G HN 0.345 nan 8.290 nan 0.000 0.539 120 K N -0.108 120.275 120.400 -0.029 0.000 2.097 120 K HA -0.010 4.310 4.320 -0.001 0.000 0.205 120 K C 2.523 179.117 176.600 -0.010 0.000 1.050 120 K CA 0.855 57.131 56.287 -0.018 0.000 0.938 120 K CB -0.116 32.372 32.500 -0.019 0.000 0.718 120 K HN 0.185 nan 8.250 nan 0.000 0.442 121 R N 1.106 121.600 120.500 -0.010 0.000 2.081 121 R HA -0.077 4.262 4.340 -0.001 0.000 0.235 121 R C 1.718 178.019 176.300 0.002 0.000 1.131 121 R CA 1.222 57.321 56.100 -0.001 0.000 0.960 121 R CB -0.001 30.298 30.300 -0.000 0.000 0.856 121 R HN 0.148 nan 8.270 nan 0.000 0.436 122 L N -0.706 120.516 121.223 -0.002 0.000 2.585 122 L HA 0.287 4.627 4.340 -0.001 0.000 0.226 122 L C 0.845 177.716 176.870 0.002 0.000 1.113 122 L CA 0.317 55.158 54.840 0.002 0.000 0.876 122 L CB 0.600 42.660 42.059 0.001 0.000 1.072 122 L HN 0.539 nan 8.230 nan 0.000 0.468 123 G N 1.519 110.318 108.800 -0.001 0.000 2.246 123 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.273 123 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.273 123 G C -0.256 174.647 174.900 0.005 0.000 1.055 123 G CA 0.097 45.198 45.100 0.002 0.000 0.851 123 G HN 0.249 nan 8.290 nan 0.000 0.500 124 L N 0.217 121.441 121.223 0.003 0.000 2.401 124 L HA 0.590 4.930 4.340 -0.001 0.000 0.266 124 L C -2.039 174.838 176.870 0.012 0.000 0.991 124 L CA -2.635 52.211 54.840 0.011 0.000 0.818 124 L CB 2.839 44.904 42.059 0.010 0.000 1.321 124 L HN -0.082 nan 8.230 nan 0.000 0.413 125 P HA 0.072 nan 4.420 nan 0.000 0.274 125 P C 0.858 178.194 177.300 0.060 0.000 1.231 125 P CA -0.342 62.803 63.100 0.076 0.000 0.790 125 P CB 1.507 33.318 31.700 0.184 0.000 0.951 126 V N 1.932 121.805 119.914 -0.069 0.000 2.380 126 V HA -0.282 3.838 4.120 -0.001 0.000 0.251 126 V C 2.728 178.890 176.094 0.112 0.000 1.063 126 V CA 2.966 65.224 62.300 -0.071 0.000 1.055 126 V CB -1.719 29.913 31.823 -0.319 0.000 0.657 126 V HN 0.743 nan 8.190 nan 0.000 0.455 127 S N 0.029 115.947 115.700 0.363 0.000 2.402 127 S HA -0.242 4.227 4.470 -0.001 0.000 0.233 127 S C 1.721 176.372 174.600 0.084 0.000 1.030 127 S CA 1.549 59.853 58.200 0.174 0.000 1.003 127 S CB -0.380 62.861 63.200 0.068 0.000 0.813 127 S HN 0.656 nan 8.310 nan 0.000 0.477 128 E N 1.555 121.802 120.200 0.079 0.000 2.170 128 E HA 0.199 4.549 4.350 -0.001 0.000 0.191 128 E C 2.118 178.735 176.600 0.030 0.000 0.981 128 E CA 0.401 56.827 56.400 0.043 0.000 0.830 128 E CB -0.545 29.177 29.700 0.037 0.000 0.775 128 E HN 0.540 nan 8.360 nan 0.000 0.470 129 L N 0.270 121.508 121.223 0.026 0.000 2.141 129 L HA -0.071 4.269 4.340 -0.001 0.000 0.209 129 L C 2.034 178.911 176.870 0.011 0.000 1.094 129 L CA 0.746 55.591 54.840 0.009 0.000 0.763 129 L CB -0.301 41.754 42.059 -0.007 0.000 0.908 129 L HN 0.069 nan 8.230 nan 0.000 0.437 130 L N -0.706 120.529 121.223 0.020 0.000 2.612 130 L HA 0.149 4.488 4.340 -0.001 0.000 0.230 130 L C 1.407 178.292 176.870 0.025 0.000 1.140 130 L CA 0.604 55.457 54.840 0.021 0.000 0.896 130 L CB -0.157 41.917 42.059 0.026 0.000 1.065 130 L HN 0.468 nan 8.230 nan 0.000 0.447 131 G N -0.859 107.955 108.800 0.023 0.000 2.481 131 G HA2 -0.004 3.956 3.960 -0.001 0.000 0.200 131 G HA3 -0.004 3.956 3.960 -0.001 0.000 0.200 131 G C 0.475 175.388 174.900 0.022 0.000 1.012 131 G CA -0.345 44.768 45.100 0.022 0.000 0.676 131 G HN 0.718 nan 8.290 nan 0.000 0.488 132 G N -0.186 108.629 108.800 0.025 0.000 2.764 132 G HA2 0.514 4.473 3.960 -0.001 0.000 0.678 132 G HA3 0.514 4.473 3.960 -0.001 0.000 0.678 132 G C -0.294 174.617 174.900 0.019 0.000 1.341 132 G CA 0.392 45.504 45.100 0.021 0.000 0.836 132 G HN 1.450 nan 8.290 nan 0.000 0.632 133 R N 0.035 120.542 120.500 0.012 0.000 2.582 133 R HA 0.668 5.008 4.340 -0.001 0.000 0.271 133 R C 0.948 177.250 176.300 0.004 0.000 1.078 133 R CA -0.102 56.000 56.100 0.002 0.000 1.127 133 R CB 1.263 31.552 30.300 -0.020 0.000 1.038 133 R HN 1.310 nan 8.270 nan 0.000 0.500 134 V N -1.848 118.070 119.914 0.006 0.000 3.346 134 V HA 0.308 4.428 4.120 -0.001 0.000 0.309 134 V C 0.008 176.103 176.094 0.001 0.000 1.457 134 V CA -0.198 62.105 62.300 0.006 0.000 1.069 134 V CB -1.106 30.724 31.823 0.012 0.000 0.944 134 V HN 0.947 nan 8.190 nan 0.000 0.449 135 R N -1.677 118.819 120.500 -0.005 0.000 2.690 135 R HA 0.514 4.853 4.340 -0.001 0.000 0.269 135 R C -1.188 175.095 176.300 -0.029 0.000 1.037 135 R CA -0.469 55.624 56.100 -0.012 0.000 0.877 135 R CB 1.058 31.357 30.300 -0.002 0.000 1.255 135 R HN -0.052 nan 8.270 nan 0.000 0.467 136 D N -0.019 120.360 120.400 -0.035 0.000 2.423 136 D HA 0.244 4.884 4.640 -0.001 0.000 0.208 136 D C -0.129 176.127 176.300 -0.073 0.000 1.068 136 D CA 0.566 54.538 54.000 -0.046 0.000 0.860 136 D CB 1.326 42.116 40.800 -0.016 0.000 0.992 136 D HN 0.574 nan 8.370 nan 0.000 0.504 137 A N 0.551 123.317 122.820 -0.090 0.000 2.454 137 A HA 0.735 5.055 4.320 -0.001 0.000 0.302 137 A C -1.206 176.378 177.584 -0.001 0.000 1.079 137 A CA -0.508 51.429 52.037 -0.166 0.000 0.731 137 A CB 1.478 20.247 19.000 -0.386 0.000 1.299 137 A HN 0.052 nan 8.150 nan 0.000 0.413 138 L N 2.490 123.732 121.223 0.032 0.000 2.385 138 L HA 0.498 4.838 4.340 -0.001 0.000 0.273 138 L C -2.345 174.543 176.870 0.030 0.000 0.990 138 L CA -2.148 52.743 54.840 0.085 0.000 0.821 138 L CB 2.828 44.926 42.059 0.065 0.000 1.279 138 L HN 0.508 nan 8.230 nan 0.000 0.412 139 P HA 0.093 nan 4.420 nan 0.000 0.271 139 P C -0.970 176.277 177.300 -0.089 0.000 1.216 139 P CA -0.139 62.712 63.100 -0.415 0.000 0.771 139 P CB 1.541 33.055 31.700 -0.310 0.000 0.864 140 V N 3.174 123.101 119.914 0.021 0.000 2.407 140 V HA 0.488 4.608 4.120 -0.001 0.000 0.291 140 V C 0.694 176.981 176.094 0.322 0.000 1.018 140 V CA -0.801 61.644 62.300 0.242 0.000 0.842 140 V CB 1.221 33.310 31.823 0.443 0.000 0.996 140 V HN 0.742 nan 8.190 nan 0.000 0.426 141 A N 5.258 128.222 122.820 0.238 0.000 2.280 141 A HA 0.688 5.008 4.320 -0.001 0.000 0.268 141 A C -0.623 176.976 177.584 0.025 0.000 1.111 141 A CA -0.460 51.653 52.037 0.126 0.000 0.814 141 A CB 0.876 19.980 19.000 0.174 0.000 1.093 141 A HN 0.956 nan 8.150 nan 0.000 0.498 142 W N 0.290 121.302 121.300 -0.481 0.000 2.883 142 W HA 0.450 5.110 4.660 -0.001 0.000 0.335 142 W C -1.450 174.818 176.519 -0.419 0.000 1.083 142 W CA -0.330 56.518 57.345 -0.829 0.000 1.233 142 W CB 2.028 30.984 29.460 -0.840 0.000 1.412 142 W HN 0.628 nan 8.180 nan 0.000 0.490 143 T N 6.164 119.947 114.554 -1.285 0.000 2.799 143 T HA 0.436 4.786 4.350 -0.001 0.000 0.286 143 T C -0.037 174.350 174.700 -0.521 0.000 0.973 143 T CA -0.316 61.445 62.100 -0.565 0.000 1.035 143 T CB 0.905 69.666 68.868 -0.179 0.000 0.932 143 T HN 0.218 nan 8.240 nan 0.000 0.469 144 L N 2.915 124.056 121.223 -0.136 0.000 2.265 144 L HA 0.661 5.001 4.340 -0.001 0.000 0.289 144 L C 0.476 177.309 176.870 -0.060 0.000 1.033 144 L CA -0.686 54.136 54.840 -0.031 0.000 0.814 144 L CB 1.062 43.154 42.059 0.055 0.000 1.203 144 L HN 0.804 nan 8.230 nan 0.000 0.423 145 A N 1.107 123.865 122.820 -0.103 0.000 2.958 145 A HA 0.192 4.511 4.320 -0.001 0.000 0.214 145 A C 0.965 178.479 177.584 -0.116 0.000 0.902 145 A CA 0.094 52.022 52.037 -0.182 0.000 1.136 145 A CB 0.133 18.829 19.000 -0.506 0.000 1.250 145 A HN 0.672 nan 8.150 nan 0.000 0.497 146 S N -1.104 114.581 115.700 -0.025 0.000 2.461 146 S HA 0.344 4.814 4.470 -0.001 0.000 0.228 146 S C 1.610 176.191 174.600 -0.033 0.000 1.005 146 S CA 1.289 59.488 58.200 -0.002 0.000 0.942 146 S CB -0.044 63.178 63.200 0.038 0.000 0.776 146 S HN 2.167 nan 8.310 nan 0.000 0.514 147 G N 0.478 109.239 108.800 -0.064 0.000 2.176 147 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.232 147 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.232 147 G C -0.344 174.494 174.900 -0.104 0.000 0.986 147 G CA 0.094 45.126 45.100 -0.112 0.000 0.643 147 G HN 0.751 nan 8.290 nan 0.000 0.522 148 D N -0.989 119.392 120.400 -0.031 0.000 2.757 148 D HA 0.648 5.287 4.640 -0.001 0.000 0.249 148 D C 1.519 177.889 176.300 0.116 0.000 1.168 148 D CA 0.283 54.291 54.000 0.014 0.000 0.870 148 D CB 1.120 41.931 40.800 0.019 0.000 1.411 148 D HN -0.099 nan 8.370 nan 0.000 0.525 149 T N 1.962 116.621 114.554 0.174 0.000 2.708 149 T HA -0.142 4.208 4.350 -0.001 0.000 0.266 149 T C 1.899 176.653 174.700 0.090 0.000 1.037 149 T CA 1.513 63.760 62.100 0.244 0.000 1.146 149 T CB -0.236 68.776 68.868 0.239 0.000 0.865 149 T HN 0.545 nan 8.240 nan 0.000 0.435 150 A N 1.819 124.674 122.820 0.059 0.000 1.902 150 A HA -0.144 4.176 4.320 -0.001 0.000 0.217 150 A C 2.276 179.872 177.584 0.021 0.000 1.181 150 A CA 1.629 53.682 52.037 0.027 0.000 0.623 150 A CB -0.455 18.558 19.000 0.022 0.000 0.818 150 A HN 0.473 nan 8.150 nan 0.000 0.443 151 K N -0.436 119.985 120.400 0.035 0.000 2.057 151 K HA -0.143 4.177 4.320 -0.001 0.000 0.207 151 K C 1.560 178.180 176.600 0.033 0.000 1.049 151 K CA 1.435 57.742 56.287 0.034 0.000 0.931 151 K CB -0.276 32.249 32.500 0.041 0.000 0.714 151 K HN 0.401 nan 8.250 nan 0.000 0.440 152 D N 1.085 121.512 120.400 0.046 0.000 2.117 152 D HA -0.131 4.509 4.640 -0.001 0.000 0.197 152 D C 1.931 178.195 176.300 -0.061 0.000 0.987 152 D CA 1.042 55.055 54.000 0.022 0.000 0.829 152 D CB -0.210 40.623 40.800 0.056 0.000 0.961 152 D HN 0.171 nan 8.370 nan 0.000 0.460 153 I N 1.145 121.674 120.570 -0.068 0.000 2.226 153 I HA -0.263 3.907 4.170 -0.001 0.000 0.245 153 I C 2.485 178.543 176.117 -0.098 0.000 1.100 153 I CA 1.038 62.273 61.300 -0.108 0.000 1.374 153 I CB -0.239 37.717 38.000 -0.073 0.000 1.057 153 I HN -0.072 nan 8.210 nan 0.000 0.413 154 A N 0.282 123.071 122.820 -0.051 0.000 1.902 154 A HA -0.271 4.048 4.320 -0.001 0.000 0.217 154 A C 2.311 179.869 177.584 -0.043 0.000 1.181 154 A CA 1.965 53.980 52.037 -0.036 0.000 0.623 154 A CB -0.651 18.343 19.000 -0.012 0.000 0.818 154 A HN 0.494 nan 8.150 nan 0.000 0.443 155 E N -0.222 119.960 120.200 -0.030 0.000 2.077 155 E HA -0.125 4.225 4.350 -0.001 0.000 0.193 155 E C 2.145 178.699 176.600 -0.075 0.000 0.989 155 E CA 1.052 57.447 56.400 -0.007 0.000 0.800 155 E CB -0.255 29.498 29.700 0.089 0.000 0.746 155 E HN 0.539 nan 8.360 nan 0.000 0.452 156 A N 0.799 123.483 122.820 -0.226 0.000 1.902 156 A HA -0.239 4.080 4.320 -0.001 0.000 0.217 156 A C 2.069 179.500 177.584 -0.256 0.000 1.181 156 A CA 1.611 53.291 52.037 -0.595 0.000 0.623 156 A CB -0.544 17.765 19.000 -1.151 0.000 0.818 156 A HN 0.333 nan 8.150 nan 0.000 0.443 157 Q N -0.269 119.438 119.800 -0.155 0.000 2.124 157 Q HA -0.191 4.149 4.340 -0.001 0.000 0.202 157 Q C 2.030 178.034 176.000 0.006 0.000 0.977 157 Q CA 1.723 57.499 55.803 -0.045 0.000 0.850 157 Q CB -0.214 28.500 28.738 -0.041 0.000 0.901 157 Q HN 0.657 nan 8.270 nan 0.000 0.429 158 K N -0.133 120.259 120.400 -0.013 0.000 2.057 158 K HA -0.045 4.274 4.320 -0.001 0.000 0.206 158 K C 2.021 178.626 176.600 0.008 0.000 1.050 158 K CA 0.922 57.205 56.287 -0.008 0.000 0.935 158 K CB 0.011 32.495 32.500 -0.028 0.000 0.715 158 K HN 0.165 nan 8.250 nan 0.000 0.439 159 M N 0.801 120.421 119.600 0.033 0.000 2.213 159 M HA -0.095 4.384 4.480 -0.001 0.000 0.263 159 M C 2.106 178.521 176.300 0.193 0.000 1.062 159 M CA 1.399 56.748 55.300 0.080 0.000 1.105 159 M CB -0.777 31.938 32.600 0.192 0.000 1.385 159 M HN 0.152 nan 8.290 nan 0.000 0.417 160 L N -0.210 121.175 121.223 0.270 0.000 2.044 160 L HA -0.214 4.126 4.340 -0.001 0.000 0.205 160 L C 2.093 179.084 176.870 0.202 0.000 1.075 160 L CA 1.016 56.051 54.840 0.325 0.000 0.747 160 L CB -0.643 41.578 42.059 0.270 0.000 0.903 160 L HN 0.242 nan 8.230 nan 0.000 0.435 161 D N 0.222 120.685 120.400 0.105 0.000 2.149 161 D HA -0.162 4.478 4.640 -0.001 0.000 0.198 161 D C 2.150 178.452 176.300 0.003 0.000 0.990 161 D CA 1.285 55.317 54.000 0.052 0.000 0.839 161 D CB -0.089 40.726 40.800 0.026 0.000 0.948 161 D HN 0.323 nan 8.370 nan 0.000 0.460 162 L N -0.152 121.054 121.223 -0.029 0.000 2.599 162 L HA 0.135 4.474 4.340 -0.001 0.000 0.230 162 L C 0.469 177.220 176.870 -0.198 0.000 1.141 162 L CA 0.064 54.846 54.840 -0.097 0.000 0.877 162 L CB -0.108 41.886 42.059 -0.109 0.000 1.009 162 L HN -0.074 nan 8.230 nan 0.000 0.447 163 R N -0.501 119.860 120.500 -0.232 0.000 3.641 163 R HA -0.202 4.138 4.340 -0.001 0.000 0.286 163 R C 1.360 177.126 176.300 -0.889 0.000 1.153 163 R CA 0.162 55.815 56.100 -0.745 0.000 0.775 163 R CB -1.157 28.758 30.300 -0.642 0.000 1.215 163 R HN 0.307 nan 8.270 nan 0.000 0.474 164 R N 0.135 120.362 120.500 -0.455 0.000 2.087 164 R HA 0.152 4.491 4.340 -0.001 0.000 0.216 164 R C 0.507 176.407 176.300 -0.666 0.000 1.114 164 R CA 1.269 57.037 56.100 -0.553 0.000 1.002 164 R CB 0.309 30.311 30.300 -0.498 0.000 0.903 164 R HN 0.357 nan 8.270 nan 0.000 0.445 165 H N -0.564 118.627 119.070 0.202 0.000 2.996 165 H HA 0.296 4.851 4.556 -0.001 0.000 0.368 165 H C 0.069 175.469 175.328 0.119 0.000 1.185 165 H CA -0.459 55.696 56.048 0.178 0.000 1.160 165 H CB 1.916 31.621 29.762 -0.096 0.000 1.820 165 H HN 0.077 nan 8.280 nan 0.000 0.547 166 R N 0.942 121.368 120.500 -0.124 0.000 2.538 166 R HA 0.410 4.749 4.340 -0.001 0.000 0.372 166 R C -0.656 175.392 176.300 -0.419 0.000 0.950 166 R CA 0.006 55.927 56.100 -0.299 0.000 1.168 166 R CB 0.574 30.516 30.300 -0.598 0.000 1.542 166 R HN 0.237 nan 8.270 nan 0.000 0.536 167 I N 1.659 121.861 120.570 -0.613 0.000 2.447 167 I HA 0.440 4.610 4.170 -0.001 0.000 0.287 167 I C -1.231 174.496 176.117 -0.650 0.000 1.023 167 I CA -1.026 60.041 61.300 -0.390 0.000 1.083 167 I CB 1.673 39.598 38.000 -0.125 0.000 1.245 167 I HN -0.119 nan 8.210 nan 0.000 0.434 168 F N 4.911 124.928 119.950 0.111 0.000 2.507 168 F HA 0.476 5.003 4.527 -0.001 0.000 0.325 168 F C 0.097 175.934 175.800 0.062 0.000 1.116 168 F CA -0.841 57.215 58.000 0.094 0.000 0.930 168 F CB 1.815 40.869 39.000 0.090 0.000 1.146 168 F HN 0.268 nan 8.300 nan 0.000 0.447 169 K N 3.743 124.255 120.400 0.187 0.000 2.265 169 K HA 0.666 4.985 4.320 -0.001 0.000 0.267 169 K C -1.757 174.890 176.600 0.078 0.000 0.994 169 K CA -0.614 55.742 56.287 0.115 0.000 0.860 169 K CB 0.814 33.390 32.500 0.126 0.000 1.099 169 K HN 0.538 nan 8.250 nan 0.000 0.448 170 L N 4.615 125.874 121.223 0.060 0.000 2.287 170 L HA 0.363 4.703 4.340 -0.001 0.000 0.287 170 L C -0.195 176.683 176.870 0.012 0.000 1.022 170 L CA -0.472 54.396 54.840 0.047 0.000 0.814 170 L CB 1.342 43.436 42.059 0.058 0.000 1.217 170 L HN 0.481 nan 8.230 nan 0.000 0.420 171 K N 5.537 125.926 120.400 -0.018 0.000 2.312 171 K HA 0.556 4.875 4.320 -0.001 0.000 0.287 171 K C -0.236 176.332 176.600 -0.055 0.000 1.062 171 K CA -0.042 56.206 56.287 -0.065 0.000 0.934 171 K CB 0.984 33.406 32.500 -0.130 0.000 1.027 171 K HN 0.683 nan 8.250 nan 0.000 0.478 172 I N -3.153 117.360 120.570 -0.095 0.000 3.343 172 I HA 0.739 4.909 4.170 -0.001 0.000 0.315 172 I C 0.709 176.719 176.117 -0.179 0.000 1.153 172 I CA -0.820 60.428 61.300 -0.086 0.000 0.952 172 I CB 2.259 40.251 38.000 -0.014 0.000 1.287 172 I HN 0.575 nan 8.210 nan 0.000 0.472 173 G N 0.823 109.560 108.800 -0.105 0.000 2.231 173 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.206 173 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.206 173 G C 0.799 175.691 174.900 -0.014 0.000 0.996 173 G CA 0.480 45.501 45.100 -0.132 0.000 0.645 173 G HN 1.270 nan 8.290 nan 0.000 0.498 174 A N 0.309 123.116 122.820 -0.022 0.000 2.021 174 A HA 0.655 4.975 4.320 -0.001 0.000 0.216 174 A C 1.724 179.314 177.584 0.011 0.000 1.163 174 A CA 2.139 54.169 52.037 -0.012 0.000 0.676 174 A CB -0.268 18.709 19.000 -0.039 0.000 0.818 174 A HN 1.692 nan 8.150 nan 0.000 0.453 175 G N -0.785 108.030 108.800 0.025 0.000 2.795 175 G HA2 0.491 4.451 3.960 -0.001 0.000 0.267 175 G HA3 0.491 4.451 3.960 -0.001 0.000 0.267 175 G C -0.761 174.181 174.900 0.069 0.000 1.362 175 G CA -0.689 44.429 45.100 0.029 0.000 1.048 175 G HN 0.366 nan 8.290 nan 0.000 0.547 176 E N -0.567 119.662 120.200 0.047 0.000 2.384 176 E HA 0.072 4.422 4.350 -0.001 0.000 0.266 176 E C 1.333 177.975 176.600 0.070 0.000 1.012 176 E CA -0.324 56.103 56.400 0.045 0.000 0.901 176 E CB 2.125 31.836 29.700 0.019 0.000 0.967 176 E HN 0.190 nan 8.360 nan 0.000 0.435 177 V N 4.216 124.162 119.914 0.053 0.000 2.250 177 V HA -0.325 3.795 4.120 -0.001 0.000 0.250 177 V C 1.246 177.354 176.094 0.023 0.000 1.060 177 V CA 2.408 64.726 62.300 0.031 0.000 1.030 177 V CB -0.157 31.547 31.823 -0.198 0.000 0.643 177 V HN 0.709 nan 8.190 nan 0.000 0.445 178 D N -0.736 119.658 120.400 -0.010 0.000 2.178 178 D HA -0.138 4.502 4.640 -0.001 0.000 0.201 178 D C 2.363 178.685 176.300 0.036 0.000 0.980 178 D CA 1.300 55.300 54.000 0.001 0.000 0.842 178 D CB -0.238 40.553 40.800 -0.014 0.000 0.948 178 D HN 0.523 nan 8.370 nan 0.000 0.472 179 R N 0.504 121.030 120.500 0.042 0.000 2.090 179 R HA -0.078 4.262 4.340 -0.001 0.000 0.228 179 R C 1.670 178.024 176.300 0.089 0.000 1.110 179 R CA 0.881 57.012 56.100 0.051 0.000 0.973 179 R CB -0.017 30.300 30.300 0.028 0.000 0.869 179 R HN 0.083 nan 8.270 nan 0.000 0.440 180 D N 0.790 121.256 120.400 0.111 0.000 2.144 180 D HA -0.095 4.544 4.640 -0.001 0.000 0.200 180 D C 1.961 178.389 176.300 0.213 0.000 0.978 180 D CA 0.936 55.035 54.000 0.166 0.000 0.833 180 D CB -0.046 40.883 40.800 0.216 0.000 0.961 180 D HN 0.147 nan 8.370 nan 0.000 0.470 181 L N 0.460 121.783 121.223 0.167 0.000 2.056 181 L HA -0.113 4.227 4.340 -0.001 0.000 0.207 181 L C 2.507 179.438 176.870 0.103 0.000 1.078 181 L CA 1.081 56.001 54.840 0.134 0.000 0.749 181 L CB -0.453 41.649 42.059 0.072 0.000 0.901 181 L HN -0.021 nan 8.230 nan 0.000 0.433 182 A N -0.397 122.479 122.820 0.092 0.000 1.902 182 A HA -0.302 4.018 4.320 -0.001 0.000 0.217 182 A C 2.106 179.746 177.584 0.093 0.000 1.181 182 A CA 2.001 54.082 52.037 0.073 0.000 0.623 182 A CB -0.843 18.195 19.000 0.062 0.000 0.818 182 A HN 0.554 nan 8.150 nan 0.000 0.443 183 H N -0.104 118.984 119.070 0.028 0.000 2.290 183 H HA -0.109 4.447 4.556 -0.000 0.000 0.298 183 H C 1.796 177.138 175.328 0.023 0.000 1.087 183 H CA 2.314 58.375 56.048 0.022 0.000 1.291 183 H CB -0.368 29.407 29.762 0.023 0.000 1.369 183 H HN 0.112 nan 8.280 nan 0.000 0.492 184 V N 0.694 120.586 119.914 -0.037 0.000 2.343 184 V HA -0.230 3.889 4.120 -0.001 0.000 0.247 184 V C 2.700 178.754 176.094 -0.067 0.000 1.051 184 V CA 1.983 64.228 62.300 -0.092 0.000 1.036 184 V CB -0.560 31.290 31.823 0.046 0.000 0.654 184 V HN 0.456 nan 8.190 nan 0.000 0.451 185 I N 0.506 121.068 120.570 -0.013 0.000 2.226 185 I HA -0.233 3.936 4.170 -0.001 0.000 0.245 185 I C 2.657 178.757 176.117 -0.028 0.000 1.100 185 I CA 1.459 62.755 61.300 -0.007 0.000 1.374 185 I CB -0.578 37.430 38.000 0.012 0.000 1.057 185 I HN 0.293 nan 8.210 nan 0.000 0.413 186 A N 0.969 123.764 122.820 -0.042 0.000 1.933 186 A HA -0.154 4.165 4.320 -0.001 0.000 0.218 186 A C 2.291 179.831 177.584 -0.074 0.000 1.175 186 A CA 1.408 53.418 52.037 -0.045 0.000 0.628 186 A CB -0.711 18.270 19.000 -0.031 0.000 0.814 186 A HN 0.380 nan 8.150 nan 0.000 0.444 187 I N -0.780 119.711 120.570 -0.132 0.000 2.202 187 I HA -0.213 3.957 4.170 -0.001 0.000 0.242 187 I C 2.508 178.578 176.117 -0.080 0.000 1.091 187 I CA 1.772 62.987 61.300 -0.142 0.000 1.368 187 I CB -0.167 37.697 38.000 -0.226 0.000 1.058 187 I HN 0.255 nan 8.210 nan 0.000 0.410 188 K N 1.768 122.139 120.400 -0.050 0.000 2.097 188 K HA -0.205 4.115 4.320 -0.001 0.000 0.205 188 K C 2.019 178.615 176.600 -0.007 0.000 1.050 188 K CA 1.582 57.864 56.287 -0.008 0.000 0.938 188 K CB -0.236 32.270 32.500 0.010 0.000 0.718 188 K HN 0.103 nan 8.250 nan 0.000 0.442 189 K N -0.380 120.011 120.400 -0.015 0.000 2.057 189 K HA -0.084 4.236 4.320 -0.001 0.000 0.207 189 K C 1.894 178.487 176.600 -0.012 0.000 1.049 189 K CA 1.345 57.627 56.287 -0.009 0.000 0.931 189 K CB -0.295 32.199 32.500 -0.010 0.000 0.714 189 K HN 0.194 nan 8.250 nan 0.000 0.440 190 A N 0.965 123.771 122.820 -0.024 0.000 1.930 190 A HA -0.071 4.248 4.320 -0.001 0.000 0.217 190 A C 2.008 179.579 177.584 -0.021 0.000 1.175 190 A CA 1.171 53.192 52.037 -0.027 0.000 0.627 190 A CB -0.383 18.591 19.000 -0.043 0.000 0.815 190 A HN 0.324 nan 8.150 nan 0.000 0.443 191 L N -1.677 119.534 121.223 -0.021 0.000 2.307 191 L HA 0.217 4.557 4.340 -0.001 0.000 0.211 191 L C 1.866 178.749 176.870 0.022 0.000 1.099 191 L CA 0.326 55.166 54.840 0.000 0.000 0.816 191 L CB -1.034 41.029 42.059 0.008 0.000 0.952 191 L HN 0.601 nan 8.230 nan 0.000 0.455 192 G N 1.150 109.961 108.800 0.017 0.000 2.582 192 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.288 192 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.288 192 G C 0.263 175.181 174.900 0.029 0.000 1.247 192 G CA 0.438 45.551 45.100 0.020 0.000 0.972 192 G HN 0.330 nan 8.290 nan 0.000 0.557 193 D N 1.166 121.579 120.400 0.023 0.000 2.349 193 D HA 0.086 4.726 4.640 -0.001 0.000 0.224 193 D C 2.497 178.809 176.300 0.019 0.000 1.029 193 D CA 1.204 55.216 54.000 0.019 0.000 0.879 193 D CB -0.095 40.712 40.800 0.010 0.000 0.906 193 D HN 0.558 nan 8.370 nan 0.000 0.528 194 S N -0.427 115.293 115.700 0.033 0.000 2.561 194 S HA 0.277 4.747 4.470 -0.001 0.000 0.225 194 S C 0.818 175.451 174.600 0.054 0.000 0.977 194 S CA -0.050 58.173 58.200 0.037 0.000 0.926 194 S CB 0.343 63.576 63.200 0.055 0.000 0.769 194 S HN 0.198 nan 8.310 nan 0.000 0.533 195 A N 0.470 123.339 122.820 0.082 0.000 2.612 195 A HA 0.719 5.039 4.320 -0.001 0.000 0.293 195 A C -0.622 177.025 177.584 0.106 0.000 1.075 195 A CA -0.476 51.635 52.037 0.124 0.000 0.680 195 A CB 1.103 20.324 19.000 0.368 0.000 1.279 195 A HN 0.267 nan 8.150 nan 0.000 0.411 196 S N 0.204 115.951 115.700 0.079 0.000 2.457 196 S HA 0.602 5.072 4.470 -0.001 0.000 0.289 196 S C -0.732 173.956 174.600 0.146 0.000 1.163 196 S CA -0.353 57.896 58.200 0.082 0.000 1.078 196 S CB 0.369 63.595 63.200 0.043 0.000 0.987 196 S HN 1.067 nan 8.310 nan 0.000 0.482 197 V N 6.668 126.667 119.914 0.142 0.000 2.448 197 V HA 0.619 4.738 4.120 -0.001 0.000 0.295 197 V C 0.015 176.176 176.094 0.111 0.000 1.025 197 V CA -0.718 61.673 62.300 0.152 0.000 0.859 197 V CB 1.479 33.372 31.823 0.116 0.000 0.988 197 V HN 0.923 nan 8.190 nan 0.000 0.431 198 R N 2.537 123.098 120.500 0.102 0.000 2.888 198 R HA 0.907 5.247 4.340 -0.001 0.000 0.264 198 R C -1.106 175.212 176.300 0.030 0.000 1.045 198 R CA -0.854 55.277 56.100 0.051 0.000 0.962 198 R CB 2.450 32.768 30.300 0.029 0.000 1.210 198 R HN 0.617 nan 8.270 nan 0.000 0.479 199 V N -2.229 117.677 119.914 -0.014 0.000 3.040 199 V HA 0.675 4.795 4.120 -0.001 0.000 0.312 199 V C -1.359 174.683 176.094 -0.088 0.000 1.115 199 V CA -0.741 61.539 62.300 -0.033 0.000 0.998 199 V CB 2.228 34.036 31.823 -0.025 0.000 1.042 199 V HN 0.724 nan 8.190 nan 0.000 0.433 200 D N 1.053 121.390 120.400 -0.105 0.000 2.686 200 D HA 0.513 5.153 4.640 -0.001 0.000 0.249 200 D C 0.111 176.283 176.300 -0.213 0.000 1.260 200 D CA -0.280 53.642 54.000 -0.130 0.000 0.910 200 D CB 2.217 42.987 40.800 -0.050 0.000 1.323 200 D HN 0.401 nan 8.370 nan 0.000 0.561 201 V N 2.782 122.498 119.914 -0.331 0.000 3.647 201 V HA 0.099 4.219 4.120 -0.001 0.000 0.279 201 V C 0.615 176.505 176.094 -0.339 0.000 1.314 201 V CA -0.064 61.929 62.300 -0.512 0.000 1.125 201 V CB -1.492 29.748 31.823 -0.971 0.000 0.907 201 V HN 0.756 nan 8.190 nan 0.000 0.434 202 N N 1.460 120.036 118.700 -0.206 0.000 2.714 202 N HA -0.306 4.433 4.740 -0.001 0.000 0.252 202 N C 0.559 175.966 175.510 -0.172 0.000 1.014 202 N CA 0.782 53.744 53.050 -0.148 0.000 0.735 202 N CB -0.917 37.514 38.487 -0.095 0.000 0.924 202 N HN 0.731 nan 8.380 nan 0.000 0.540 203 Q N -4.499 115.197 119.800 -0.173 0.000 2.305 203 Q HA -0.366 3.974 4.340 -0.001 0.000 0.203 203 Q C 1.411 177.348 176.000 -0.105 0.000 0.663 203 Q CA 1.060 56.787 55.803 -0.127 0.000 1.389 203 Q CB -1.572 27.097 28.738 -0.115 0.000 1.566 203 Q HN 0.715 nan 8.270 nan 0.000 0.755 204 A N -0.074 122.643 122.820 -0.171 0.000 1.978 204 A HA -0.126 4.194 4.320 -0.001 0.000 0.220 204 A C 0.545 178.171 177.584 0.070 0.000 1.170 204 A CA 0.983 52.958 52.037 -0.104 0.000 0.636 204 A CB -0.179 18.714 19.000 -0.178 0.000 0.810 204 A HN 0.407 nan 8.150 nan 0.000 0.448 205 W N 0.771 122.056 121.300 -0.024 0.000 2.237 205 W HA 0.446 5.105 4.660 -0.000 0.000 0.335 205 W C -0.599 175.906 176.519 -0.023 0.000 1.230 205 W CA -1.418 55.914 57.345 -0.022 0.000 1.253 205 W CB -0.022 29.426 29.460 -0.020 0.000 1.129 205 W HN 0.111 nan 8.180 nan 0.000 0.590 206 D N 0.278 120.804 120.400 0.210 0.000 2.312 206 D HA -0.011 4.629 4.640 -0.001 0.000 0.248 206 D C 1.215 177.565 176.300 0.083 0.000 1.086 206 D CA -0.239 53.820 54.000 0.098 0.000 0.948 206 D CB 1.005 41.831 40.800 0.044 0.000 1.162 206 D HN 0.496 nan 8.370 nan 0.000 0.446 207 E N 1.199 121.431 120.200 0.052 0.000 2.118 207 E HA -0.248 4.101 4.350 -0.001 0.000 0.195 207 E C 1.575 178.173 176.600 -0.004 0.000 0.992 207 E CA 1.224 57.645 56.400 0.034 0.000 0.804 207 E CB 0.095 29.807 29.700 0.020 0.000 0.741 207 E HN 0.495 nan 8.360 nan 0.000 0.458 208 A N 0.264 123.073 122.820 -0.018 0.000 1.978 208 A HA -0.139 4.181 4.320 -0.001 0.000 0.220 208 A C 2.291 179.820 177.584 -0.092 0.000 1.170 208 A CA 1.514 53.523 52.037 -0.045 0.000 0.636 208 A CB -0.316 18.662 19.000 -0.038 0.000 0.810 208 A HN 0.244 nan 8.150 nan 0.000 0.448 209 V N -0.891 118.947 119.914 -0.126 0.000 2.500 209 V HA -0.041 4.079 4.120 -0.001 0.000 0.243 209 V C 2.972 178.839 176.094 -0.377 0.000 1.039 209 V CA 1.378 63.509 62.300 -0.282 0.000 1.053 209 V CB -0.931 30.663 31.823 -0.382 0.000 0.695 209 V HN 0.565 nan 8.190 nan 0.000 0.463 210 A N 1.348 124.046 122.820 -0.204 0.000 1.940 210 A HA -0.196 4.124 4.320 -0.001 0.000 0.219 210 A C 2.129 179.671 177.584 -0.069 0.000 1.176 210 A CA 2.197 54.194 52.037 -0.067 0.000 0.631 210 A CB -0.651 18.476 19.000 0.211 0.000 0.814 210 A HN 0.641 nan 8.150 nan 0.000 0.446 211 L N -1.293 119.894 121.223 -0.061 0.000 2.187 211 L HA -0.051 4.288 4.340 -0.001 0.000 0.213 211 L C 2.172 179.000 176.870 -0.071 0.000 1.100 211 L CA 2.503 57.316 54.840 -0.046 0.000 0.765 211 L CB -0.651 41.385 42.059 -0.037 0.000 0.904 211 L HN 0.409 nan 8.230 nan 0.000 0.437 212 R N 0.335 120.761 120.500 -0.123 0.000 2.064 212 R HA 0.159 4.499 4.340 -0.001 0.000 0.221 212 R C 2.328 178.539 176.300 -0.149 0.000 1.136 212 R CA 0.997 57.021 56.100 -0.126 0.000 0.980 212 R CB -0.448 29.765 30.300 -0.144 0.000 0.876 212 R HN 0.393 nan 8.270 nan 0.000 0.437 213 A N 0.885 123.543 122.820 -0.270 0.000 1.908 213 A HA -0.197 4.122 4.320 -0.001 0.000 0.218 213 A C 2.407 179.950 177.584 -0.069 0.000 1.181 213 A CA 1.714 53.572 52.037 -0.297 0.000 0.627 213 A CB -1.059 17.417 19.000 -0.873 0.000 0.818 213 A HN 0.611 nan 8.150 nan 0.000 0.445 214 C N -1.188 118.109 119.300 -0.004 0.000 2.425 214 C HA -0.058 4.402 4.460 -0.001 0.000 0.277 214 C C 2.850 177.858 174.990 0.029 0.000 1.280 214 C CA 0.992 60.051 59.018 0.070 0.000 1.744 214 C CB -1.346 26.439 27.740 0.074 0.000 1.989 214 C HN 0.601 nan 8.230 nan 0.000 0.491 215 R N 0.597 121.095 120.500 -0.003 0.000 2.073 215 R HA -0.051 4.289 4.340 -0.001 0.000 0.234 215 R C 2.033 178.333 176.300 -0.000 0.000 1.134 215 R CA 1.377 57.474 56.100 -0.005 0.000 0.952 215 R CB -0.346 29.942 30.300 -0.019 0.000 0.850 215 R HN 0.528 nan 8.270 nan 0.000 0.433 216 I N 0.891 121.455 120.570 -0.010 0.000 2.179 216 I HA -0.298 3.872 4.170 -0.001 0.000 0.242 216 I C 2.256 178.386 176.117 0.021 0.000 1.088 216 I CA 1.332 62.631 61.300 -0.003 0.000 1.357 216 I CB -0.276 37.713 38.000 -0.018 0.000 1.051 216 I HN 0.154 nan 8.210 nan 0.000 0.409 217 L N 0.345 121.593 121.223 0.042 0.000 2.017 217 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 217 L C 2.699 179.597 176.870 0.047 0.000 1.073 217 L CA 1.623 56.500 54.840 0.061 0.000 0.745 217 L CB -1.166 40.954 42.059 0.102 0.000 0.894 217 L HN 0.317 nan 8.230 nan 0.000 0.432 218 G N -0.461 108.363 108.800 0.040 0.000 2.432 218 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.219 218 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.219 218 G C 1.470 176.387 174.900 0.029 0.000 1.135 218 G CA 0.684 45.804 45.100 0.034 0.000 0.767 218 G HN 0.504 nan 8.290 nan 0.000 0.550 219 G N -0.494 108.320 108.800 0.022 0.000 2.920 219 G HA2 0.017 3.977 3.960 -0.001 0.000 0.208 219 G HA3 0.017 3.977 3.960 -0.001 0.000 0.208 219 G C 0.978 175.890 174.900 0.019 0.000 1.159 219 G CA -0.073 45.037 45.100 0.017 0.000 0.784 219 G HN 0.385 nan 8.290 nan 0.000 0.535 220 N N 0.195 118.909 118.700 0.024 0.000 2.351 220 N HA 0.167 4.906 4.740 -0.001 0.000 0.254 220 N C 1.251 176.778 175.510 0.028 0.000 1.241 220 N CA 0.541 53.605 53.050 0.023 0.000 0.883 220 N CB 1.074 39.575 38.487 0.022 0.000 1.202 220 N HN 0.278 nan 8.380 nan 0.000 0.512 221 G N 0.984 109.804 108.800 0.033 0.000 2.136 221 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.242 221 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.242 221 G C -0.023 174.908 174.900 0.051 0.000 0.989 221 G CA -0.301 44.822 45.100 0.040 0.000 0.682 221 G HN 0.233 nan 8.290 nan 0.000 0.522 222 I N 1.609 122.210 120.570 0.053 0.000 2.352 222 I HA 0.246 4.416 4.170 -0.001 0.000 0.290 222 I C 0.816 176.977 176.117 0.072 0.000 1.036 222 I CA -0.742 60.595 61.300 0.061 0.000 1.336 222 I CB 1.133 39.166 38.000 0.055 0.000 1.407 222 I HN -0.030 nan 8.210 nan 0.000 0.497 223 D N 4.835 125.295 120.400 0.101 0.000 2.234 223 D HA 0.048 4.688 4.640 -0.001 0.000 0.205 223 D C 0.383 176.755 176.300 0.119 0.000 0.962 223 D CA 1.065 55.165 54.000 0.167 0.000 0.855 223 D CB 0.556 41.509 40.800 0.256 0.000 0.951 223 D HN 0.266 nan 8.370 nan 0.000 0.500 224 L N 0.024 121.246 121.223 -0.001 0.000 2.505 224 L HA 0.388 4.728 4.340 -0.001 0.000 0.259 224 L C -1.848 174.935 176.870 -0.144 0.000 0.952 224 L CA -0.507 54.218 54.840 -0.192 0.000 0.840 224 L CB 2.362 44.208 42.059 -0.354 0.000 1.358 224 L HN -0.240 nan 8.230 nan 0.000 0.409 225 I N 3.390 123.861 120.570 -0.166 0.000 2.390 225 I HA 0.376 4.545 4.170 -0.001 0.000 0.283 225 I C -0.341 175.683 176.117 -0.155 0.000 1.016 225 I CA -0.450 60.783 61.300 -0.112 0.000 1.151 225 I CB 1.645 39.626 38.000 -0.031 0.000 1.293 225 I HN 0.613 nan 8.210 nan 0.000 0.458 226 E N 5.846 125.945 120.200 -0.170 0.000 2.229 226 E HA 0.092 4.441 4.350 -0.001 0.000 0.283 226 E C -0.063 176.451 176.600 -0.143 0.000 1.030 226 E CA -0.601 55.699 56.400 -0.167 0.000 0.836 226 E CB 0.745 30.347 29.700 -0.163 0.000 1.068 226 E HN 0.446 nan 8.360 nan 0.000 0.401 227 Q N 4.083 123.816 119.800 -0.112 0.000 2.417 227 Q HA -0.175 4.164 4.340 -0.001 0.000 0.368 227 Q C -1.933 173.988 176.000 -0.131 0.000 1.359 227 Q CA 0.630 56.373 55.803 -0.099 0.000 1.122 227 Q CB -0.135 28.550 28.738 -0.088 0.000 1.295 227 Q HN 0.498 nan 8.270 nan 0.000 0.337 228 P HA -0.099 nan 4.420 nan 0.000 0.218 228 P C 0.656 177.947 177.300 -0.015 0.000 1.149 228 P CA 1.621 64.664 63.100 -0.095 0.000 0.817 228 P CB -0.069 31.698 31.700 0.111 0.000 0.785 229 I N -4.949 115.629 120.570 0.014 0.000 3.294 229 I HA 0.551 4.721 4.170 -0.001 0.000 0.311 229 I C -0.022 176.086 176.117 -0.014 0.000 1.111 229 I CA -1.528 59.792 61.300 0.035 0.000 0.976 229 I CB 1.840 39.882 38.000 0.070 0.000 1.260 229 I HN -0.340 nan 8.210 nan 0.000 0.474 230 S N 0.983 116.678 115.700 -0.008 0.000 2.552 230 S HA 0.075 4.545 4.470 -0.001 0.000 0.289 230 S C 1.361 175.942 174.600 -0.032 0.000 1.304 230 S CA -0.048 58.135 58.200 -0.029 0.000 1.063 230 S CB 0.427 63.615 63.200 -0.020 0.000 0.848 230 S HN 0.837 nan 8.310 nan 0.000 0.499 231 R N 3.854 124.326 120.500 -0.047 0.000 2.241 231 R HA -0.093 4.247 4.340 -0.001 0.000 0.224 231 R C 1.209 177.489 176.300 -0.034 0.000 1.101 231 R CA 2.003 58.076 56.100 -0.046 0.000 0.995 231 R CB -0.710 29.556 30.300 -0.056 0.000 0.870 231 R HN 0.697 nan 8.270 nan 0.000 0.463 232 N N 0.696 119.378 118.700 -0.029 0.000 2.409 232 N HA -0.092 4.648 4.740 -0.001 0.000 0.179 232 N C 0.212 175.713 175.510 -0.015 0.000 1.032 232 N CA 0.325 53.362 53.050 -0.022 0.000 0.898 232 N CB 0.005 38.479 38.487 -0.021 0.000 0.971 232 N HN 0.137 nan 8.380 nan 0.000 0.441 233 N N 1.584 120.276 118.700 -0.012 0.000 3.188 233 N HA 0.111 4.851 4.740 -0.001 0.000 0.279 233 N C 0.405 175.911 175.510 -0.007 0.000 1.213 233 N CA -0.065 52.981 53.050 -0.006 0.000 1.138 233 N CB 0.082 38.571 38.487 0.002 0.000 1.417 233 N HN 0.152 nan 8.380 nan 0.000 0.526 234 R N 0.835 121.329 120.500 -0.011 0.000 2.083 234 R HA -0.112 4.227 4.340 -0.001 0.000 0.237 234 R C 1.769 178.064 176.300 -0.009 0.000 1.137 234 R CA 1.801 57.893 56.100 -0.013 0.000 0.951 234 R CB -0.279 30.013 30.300 -0.014 0.000 0.851 234 R HN 0.417 nan 8.270 nan 0.000 0.434 235 A N 0.899 123.715 122.820 -0.007 0.000 1.969 235 A HA -0.049 4.271 4.320 -0.001 0.000 0.218 235 A C 2.401 179.984 177.584 -0.003 0.000 1.169 235 A CA 1.612 53.646 52.037 -0.005 0.000 0.635 235 A CB -0.965 18.032 19.000 -0.005 0.000 0.810 235 A HN 0.477 nan 8.150 nan 0.000 0.445 236 G N -0.626 108.174 108.800 -0.000 0.000 2.408 236 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.217 236 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.217 236 G C 1.625 176.529 174.900 0.007 0.000 1.150 236 G CA 1.088 46.191 45.100 0.005 0.000 0.776 236 G HN 0.462 nan 8.290 nan 0.000 0.542 237 M N 0.119 119.722 119.600 0.004 0.000 2.117 237 M HA -0.064 4.416 4.480 -0.001 0.000 0.262 237 M C 2.666 178.967 176.300 0.003 0.000 1.065 237 M CA 0.904 56.206 55.300 0.004 0.000 1.114 237 M CB -0.315 32.284 32.600 -0.002 0.000 1.361 237 M HN 0.111 nan 8.290 nan 0.000 0.408 238 V N 0.301 120.214 119.914 -0.001 0.000 2.295 238 V HA -0.270 3.850 4.120 -0.001 0.000 0.246 238 V C 2.309 178.401 176.094 -0.003 0.000 1.049 238 V CA 1.837 64.135 62.300 -0.004 0.000 1.024 238 V CB -0.743 31.075 31.823 -0.008 0.000 0.648 238 V HN 0.440 nan 8.190 nan 0.000 0.447 239 R N -0.396 120.103 120.500 -0.002 0.000 2.081 239 R HA -0.081 4.258 4.340 -0.001 0.000 0.235 239 R C 2.284 178.584 176.300 0.000 0.000 1.131 239 R CA 1.330 57.429 56.100 -0.002 0.000 0.960 239 R CB -0.414 29.885 30.300 -0.001 0.000 0.856 239 R HN 0.423 nan 8.270 nan 0.000 0.436 240 L N 0.714 121.940 121.223 0.005 0.000 2.141 240 L HA -0.155 4.185 4.340 -0.001 0.000 0.209 240 L C 2.052 178.924 176.870 0.003 0.000 1.094 240 L CA 0.921 55.767 54.840 0.010 0.000 0.763 240 L CB -0.465 41.608 42.059 0.023 0.000 0.908 240 L HN 0.285 nan 8.230 nan 0.000 0.437 241 N N 0.014 118.713 118.700 -0.002 0.000 2.289 241 N HA -0.147 4.592 4.740 -0.001 0.000 0.184 241 N C 1.738 177.243 175.510 -0.008 0.000 1.016 241 N CA 1.340 54.385 53.050 -0.009 0.000 0.872 241 N CB 0.173 38.654 38.487 -0.012 0.000 0.973 241 N HN 0.345 nan 8.380 nan 0.000 0.433 242 A N 0.471 123.288 122.820 -0.005 0.000 1.911 242 A HA -0.031 4.289 4.320 -0.001 0.000 0.212 242 A C 2.301 179.883 177.584 -0.003 0.000 1.189 242 A CA 1.275 53.309 52.037 -0.005 0.000 0.639 242 A CB -0.362 18.635 19.000 -0.005 0.000 0.839 242 A HN 0.385 nan 8.150 nan 0.000 0.449 243 S N -0.844 114.855 115.700 -0.002 0.000 2.470 243 S HA 0.071 4.541 4.470 -0.001 0.000 0.225 243 S C 1.094 175.694 174.600 -0.000 0.000 1.006 243 S CA 0.668 58.866 58.200 -0.003 0.000 0.934 243 S CB -0.513 62.685 63.200 -0.005 0.000 0.778 243 S HN 0.351 nan 8.310 nan 0.000 0.517 244 S N 3.443 119.145 115.700 0.003 0.000 2.505 244 S HA 0.341 4.811 4.470 -0.001 0.000 0.276 244 S C -1.307 173.296 174.600 0.005 0.000 1.274 244 S CA -1.413 56.791 58.200 0.006 0.000 1.053 244 S CB 1.026 64.232 63.200 0.009 0.000 0.919 244 S HN 0.311 nan 8.310 nan 0.000 0.490 245 P HA 0.193 nan 4.420 nan 0.000 0.241 245 P C -0.164 177.148 177.300 0.019 0.000 1.191 245 P CA 0.167 63.275 63.100 0.014 0.000 0.771 245 P CB 0.107 31.816 31.700 0.014 0.000 0.929 246 A N 1.758 124.586 122.820 0.013 0.000 2.330 246 A HA 0.647 4.967 4.320 -0.001 0.000 0.327 246 A C -2.594 174.970 177.584 -0.033 0.000 1.155 246 A CA -2.169 49.872 52.037 0.007 0.000 0.803 246 A CB 0.718 19.725 19.000 0.012 0.000 1.208 246 A HN -0.080 nan 8.150 nan 0.000 0.477 247 P HA 0.219 nan 4.420 nan 0.000 0.268 247 P C -0.762 176.413 177.300 -0.209 0.000 1.205 247 P CA 0.405 63.413 63.100 -0.154 0.000 0.771 247 P CB 0.639 32.195 31.700 -0.241 0.000 0.858 248 I N 3.161 123.629 120.570 -0.169 0.000 2.377 248 I HA 0.400 4.570 4.170 -0.001 0.000 0.293 248 I C 0.658 176.668 176.117 -0.179 0.000 0.987 248 I CA -0.862 60.349 61.300 -0.147 0.000 1.185 248 I CB 1.553 39.513 38.000 -0.068 0.000 1.341 248 I HN 0.277 nan 8.210 nan 0.000 0.455 249 M N 5.830 125.312 119.600 -0.197 0.000 2.364 249 M HA 0.677 5.157 4.480 -0.001 0.000 0.334 249 M C -0.800 175.459 176.300 -0.069 0.000 1.107 249 M CA -0.414 54.786 55.300 -0.167 0.000 0.988 249 M CB 1.624 34.041 32.600 -0.304 0.000 1.673 249 M HN 0.668 nan 8.290 nan 0.000 0.441 250 A N 3.227 126.062 122.820 0.025 0.000 2.309 250 A HA 0.462 4.782 4.320 -0.001 0.000 0.298 250 A C -0.540 177.014 177.584 -0.050 0.000 1.165 250 A CA -0.418 51.601 52.037 -0.031 0.000 0.821 250 A CB 0.737 19.686 19.000 -0.086 0.000 1.102 250 A HN 0.974 nan 8.150 nan 0.000 0.500 251 D N 0.791 121.163 120.400 -0.048 0.000 3.045 251 D HA 0.027 4.667 4.640 -0.001 0.000 0.196 251 D C 1.252 177.549 176.300 -0.005 0.000 1.520 251 D CA 0.460 54.461 54.000 0.002 0.000 1.466 251 D CB -0.231 40.602 40.800 0.055 0.000 1.152 251 D HN 0.423 nan 8.370 nan 0.000 0.254 252 E N 0.192 120.390 120.200 -0.004 0.000 2.267 252 E HA -0.040 4.310 4.350 -0.001 0.000 0.197 252 E C 1.907 178.476 176.600 -0.050 0.000 0.998 252 E CA 0.953 57.338 56.400 -0.024 0.000 0.830 252 E CB -0.100 29.537 29.700 -0.105 0.000 0.751 252 E HN 0.071 nan 8.360 nan 0.000 0.491 253 S N -0.044 115.609 115.700 -0.077 0.000 2.442 253 S HA -0.022 4.448 4.470 -0.001 0.000 0.236 253 S C 0.696 175.223 174.600 -0.122 0.000 1.007 253 S CA 0.501 58.643 58.200 -0.097 0.000 0.965 253 S CB -0.058 63.075 63.200 -0.112 0.000 0.773 253 S HN 0.183 nan 8.310 nan 0.000 0.504 254 I N 1.720 122.208 120.570 -0.136 0.000 2.306 254 I HA 0.205 4.374 4.170 -0.001 0.000 0.288 254 I C 0.465 176.553 176.117 -0.049 0.000 1.036 254 I CA 0.050 61.264 61.300 -0.143 0.000 1.221 254 I CB 1.032 38.901 38.000 -0.218 0.000 1.385 254 I HN 0.112 nan 8.210 nan 0.000 0.472 255 E N 5.006 125.191 120.200 -0.025 0.000 2.630 255 E HA 0.206 4.555 4.350 -0.001 0.000 0.218 255 E C -0.539 176.074 176.600 0.021 0.000 0.977 255 E CA -0.108 56.306 56.400 0.024 0.000 1.038 255 E CB 0.868 30.590 29.700 0.036 0.000 1.051 255 E HN 0.793 nan 8.360 nan 0.000 0.487 256 C N -3.928 115.372 119.300 -0.000 0.000 3.197 256 C HA 0.204 4.664 4.460 -0.001 0.000 0.343 256 C C 1.552 176.547 174.990 0.009 0.000 1.291 256 C CA -0.946 58.078 59.018 0.009 0.000 1.191 256 C CB 0.322 28.073 27.740 0.018 0.000 1.444 256 C HN -0.038 nan 8.230 nan 0.000 0.468 257 V N 1.161 121.091 119.914 0.025 0.000 2.332 257 V HA -0.176 3.943 4.120 -0.001 0.000 0.248 257 V C 2.507 178.647 176.094 0.077 0.000 1.055 257 V CA 2.813 65.142 62.300 0.048 0.000 1.038 257 V CB -0.834 31.018 31.823 0.049 0.000 0.651 257 V HN 0.994 nan 8.190 nan 0.000 0.450 258 E N 0.129 120.372 120.200 0.071 0.000 2.160 258 E HA -0.204 4.146 4.350 -0.001 0.000 0.195 258 E C 1.928 178.604 176.600 0.127 0.000 0.991 258 E CA 1.339 57.808 56.400 0.115 0.000 0.810 258 E CB -0.331 29.417 29.700 0.080 0.000 0.742 258 E HN 0.580 nan 8.360 nan 0.000 0.466 259 D N 0.057 120.485 120.400 0.046 0.000 2.144 259 D HA -0.122 4.518 4.640 -0.001 0.000 0.199 259 D C 1.858 178.128 176.300 -0.049 0.000 0.984 259 D CA 1.345 55.340 54.000 -0.009 0.000 0.834 259 D CB -0.308 40.458 40.800 -0.057 0.000 0.955 259 D HN 0.218 nan 8.370 nan 0.000 0.465 260 A N 0.549 123.343 122.820 -0.043 0.000 1.908 260 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 260 A C 2.113 179.809 177.584 0.185 0.000 1.181 260 A CA 1.188 53.197 52.037 -0.046 0.000 0.627 260 A CB -0.997 18.051 19.000 0.080 0.000 0.818 260 A HN 0.274 nan 8.150 nan 0.000 0.445 261 F N 1.348 121.355 119.950 0.095 0.000 2.075 261 F HA -0.185 4.341 4.527 -0.001 0.000 0.297 261 F C 1.876 177.732 175.800 0.093 0.000 1.113 261 F CA 2.139 60.201 58.000 0.105 0.000 1.218 261 F CB -0.769 38.269 39.000 0.063 0.000 0.984 261 F HN 0.314 nan 8.300 nan 0.000 0.472 262 N N 0.361 118.970 118.700 -0.151 0.000 2.104 262 N HA -0.188 4.552 4.740 -0.001 0.000 0.190 262 N C 1.918 177.314 175.510 -0.190 0.000 1.024 262 N CA 1.664 54.576 53.050 -0.231 0.000 0.853 262 N CB -0.301 38.175 38.487 -0.019 0.000 1.008 262 N HN 0.315 nan 8.380 nan 0.000 0.424 263 L N 0.297 121.473 121.223 -0.078 0.000 2.046 263 L HA -0.120 4.219 4.340 -0.001 0.000 0.208 263 L C 2.473 179.394 176.870 0.085 0.000 1.077 263 L CA 0.943 55.790 54.840 0.012 0.000 0.747 263 L CB -0.499 41.556 42.059 -0.006 0.000 0.896 263 L HN 0.236 nan 8.230 nan 0.000 0.432 264 A N 0.069 122.958 122.820 0.114 0.000 1.898 264 A HA -0.222 4.098 4.320 -0.001 0.000 0.216 264 A C 2.440 179.930 177.584 -0.156 0.000 1.181 264 A CA 1.594 53.637 52.037 0.009 0.000 0.620 264 A CB -0.540 18.470 19.000 0.016 0.000 0.819 264 A HN 0.354 nan 8.150 nan 0.000 0.442 265 R N 0.031 120.310 120.500 -0.370 0.000 2.073 265 R HA -0.163 4.177 4.340 -0.001 0.000 0.234 265 R C 1.807 178.005 176.300 -0.170 0.000 1.134 265 R CA 1.926 57.810 56.100 -0.360 0.000 0.952 265 R CB -0.276 29.655 30.300 -0.615 0.000 0.850 265 R HN 0.645 nan 8.270 nan 0.000 0.433 266 E N -1.141 118.976 120.200 -0.137 0.000 2.285 266 E HA 0.039 4.388 4.350 -0.001 0.000 0.194 266 E C 0.572 177.147 176.600 -0.043 0.000 0.997 266 E CA 0.523 56.880 56.400 -0.071 0.000 0.845 266 E CB 0.296 29.963 29.700 -0.056 0.000 0.782 266 E HN 0.647 nan 8.360 nan 0.000 0.491 267 G N 0.857 109.636 108.800 -0.036 0.000 2.248 267 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.252 267 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.252 267 G C 0.657 175.557 174.900 0.001 0.000 1.085 267 G CA 0.211 45.299 45.100 -0.020 0.000 0.845 267 G HN 0.376 nan 8.290 nan 0.000 0.494 268 A N -1.294 121.544 122.820 0.029 0.000 2.123 268 A HA 0.777 5.097 4.320 -0.001 0.000 0.214 268 A C 1.419 179.036 177.584 0.055 0.000 1.152 268 A CA 1.876 53.934 52.037 0.035 0.000 0.728 268 A CB 0.142 19.159 19.000 0.028 0.000 0.814 268 A HN 2.436 nan 8.150 nan 0.000 0.464 269 A N -1.527 121.348 122.820 0.092 0.000 2.599 269 A HA 0.539 4.859 4.320 -0.001 0.000 0.294 269 A C 0.450 178.028 177.584 -0.010 0.000 1.055 269 A CA 0.323 52.402 52.037 0.071 0.000 0.683 269 A CB -0.053 19.051 19.000 0.173 0.000 1.278 269 A HN 0.784 nan 8.150 nan 0.000 0.412 270 S N -0.556 115.094 115.700 -0.082 0.000 2.556 270 S HA 0.443 4.913 4.470 -0.001 0.000 0.216 270 S C 0.167 174.650 174.600 -0.196 0.000 0.970 270 S CA 0.489 58.607 58.200 -0.137 0.000 0.912 270 S CB -0.134 63.010 63.200 -0.093 0.000 0.790 270 S HN 1.207 nan 8.310 nan 0.000 0.504 271 V N 2.020 121.818 119.914 -0.194 0.000 2.888 271 V HA 0.576 4.695 4.120 -0.001 0.000 0.309 271 V C -1.506 174.649 176.094 0.101 0.000 1.114 271 V CA -0.862 61.321 62.300 -0.195 0.000 0.940 271 V CB 1.846 33.366 31.823 -0.505 0.000 1.021 271 V HN 0.263 nan 8.190 nan 0.000 0.426 272 F N 2.117 122.038 119.950 -0.049 0.000 2.495 272 F HA 0.806 5.333 4.527 -0.000 0.000 0.327 272 F C 0.548 176.376 175.800 0.048 0.000 1.103 272 F CA -1.542 56.452 58.000 -0.009 0.000 0.949 272 F CB 1.868 40.879 39.000 0.017 0.000 1.142 272 F HN 0.599 nan 8.300 nan 0.000 0.457 273 A N 4.637 127.599 122.820 0.236 0.000 2.363 273 A HA 0.675 4.994 4.320 -0.001 0.000 0.270 273 A C -0.693 176.994 177.584 0.171 0.000 1.121 273 A CA -0.447 51.752 52.037 0.269 0.000 0.800 273 A CB 0.243 19.394 19.000 0.253 0.000 1.052 273 A HN 0.732 nan 8.150 nan 0.000 0.493 274 L N 2.849 124.147 121.223 0.125 0.000 2.294 274 L HA 0.409 4.749 4.340 -0.001 0.000 0.283 274 L C -0.158 176.820 176.870 0.179 0.000 1.015 274 L CA -0.139 54.779 54.840 0.131 0.000 0.831 274 L CB 1.185 43.310 42.059 0.111 0.000 1.217 274 L HN 0.685 nan 8.230 nan 0.000 0.420 275 K N 3.953 124.420 120.400 0.110 0.000 2.463 275 K HA 0.337 4.657 4.320 -0.001 0.000 0.255 275 K C 1.045 177.624 176.600 -0.035 0.000 0.942 275 K CA -0.541 55.771 56.287 0.043 0.000 0.814 275 K CB 2.692 35.176 32.500 -0.027 0.000 1.122 275 K HN 0.584 nan 8.250 nan 0.000 0.425 276 I N -0.315 120.214 120.570 -0.068 0.000 2.361 276 I HA -0.185 3.985 4.170 -0.001 0.000 0.251 276 I C 1.838 177.826 176.117 -0.216 0.000 1.133 276 I CA 1.414 62.642 61.300 -0.120 0.000 1.413 276 I CB -0.189 37.725 38.000 -0.143 0.000 1.073 276 I HN 0.546 nan 8.210 nan 0.000 0.424 277 A N 1.661 124.261 122.820 -0.365 0.000 1.969 277 A HA -0.095 4.225 4.320 -0.001 0.000 0.218 277 A C 2.237 179.362 177.584 -0.766 0.000 1.169 277 A CA 1.293 52.881 52.037 -0.749 0.000 0.635 277 A CB -0.349 17.906 19.000 -1.242 0.000 0.810 277 A HN 0.349 nan 8.150 nan 0.000 0.445 278 K N 0.064 120.208 120.400 -0.426 0.000 2.305 278 K HA 0.076 4.395 4.320 -0.001 0.000 0.199 278 K C 0.875 177.432 176.600 -0.073 0.000 1.047 278 K CA 0.587 56.772 56.287 -0.170 0.000 0.976 278 K CB -0.194 32.275 32.500 -0.053 0.000 0.765 278 K HN 0.507 nan 8.250 nan 0.000 0.474 279 N N -0.307 118.343 118.700 -0.083 0.000 2.368 279 N HA 0.007 4.747 4.740 -0.001 0.000 0.178 279 N C 0.659 176.152 175.510 -0.029 0.000 1.076 279 N CA 0.933 53.964 53.050 -0.032 0.000 0.889 279 N CB 1.234 39.716 38.487 -0.009 0.000 1.040 279 N HN 0.296 nan 8.380 nan 0.000 0.463 280 G N 0.327 109.092 108.800 -0.059 0.000 2.155 280 G HA2 0.118 4.078 3.960 -0.001 0.000 0.135 280 G HA3 0.118 4.078 3.960 -0.001 0.000 0.135 280 G C 0.248 175.122 174.900 -0.043 0.000 1.023 280 G CA 0.056 45.133 45.100 -0.037 0.000 0.688 280 G HN 0.668 nan 8.290 nan 0.000 0.499 281 G N -1.523 107.236 108.800 -0.067 0.000 2.440 281 G HA2 0.355 4.315 3.960 -0.001 0.000 0.684 281 G HA3 0.355 4.315 3.960 -0.001 0.000 0.684 281 G C -1.278 173.587 174.900 -0.059 0.000 1.309 281 G CA 0.129 45.190 45.100 -0.066 0.000 0.931 281 G HN 0.337 nan 8.290 nan 0.000 0.612 282 P HA -0.114 nan 4.420 nan 0.000 0.216 282 P C 2.026 179.311 177.300 -0.025 0.000 1.153 282 P CA 1.760 64.817 63.100 -0.072 0.000 0.858 282 P CB -0.001 31.646 31.700 -0.089 0.000 0.789 283 R N -0.643 119.846 120.500 -0.019 0.000 2.075 283 R HA -0.019 4.320 4.340 -0.001 0.000 0.232 283 R C 2.348 178.656 176.300 0.013 0.000 1.126 283 R CA 1.510 57.610 56.100 -0.000 0.000 0.963 283 R CB -1.114 29.183 30.300 -0.006 0.000 0.858 283 R HN 0.140 nan 8.270 nan 0.000 0.435 284 A N 0.477 123.301 122.820 0.007 0.000 1.933 284 A HA -0.128 4.192 4.320 -0.001 0.000 0.218 284 A C 2.103 179.708 177.584 0.035 0.000 1.175 284 A CA 1.777 53.824 52.037 0.017 0.000 0.628 284 A CB -0.711 18.292 19.000 0.005 0.000 0.814 284 A HN 0.269 nan 8.150 nan 0.000 0.444 285 T N 0.452 115.028 114.554 0.036 0.000 2.833 285 T HA -0.050 4.300 4.350 -0.001 0.000 0.269 285 T C 1.694 176.460 174.700 0.110 0.000 1.054 285 T CA 1.290 63.436 62.100 0.077 0.000 1.135 285 T CB -0.316 68.606 68.868 0.089 0.000 0.869 285 T HN 0.375 nan 8.240 nan 0.000 0.466 286 L N 0.237 121.513 121.223 0.088 0.000 2.217 286 L HA 0.013 4.353 4.340 -0.001 0.000 0.211 286 L C 2.843 179.764 176.870 0.086 0.000 1.107 286 L CA 0.991 55.889 54.840 0.096 0.000 0.783 286 L CB -0.354 41.748 42.059 0.072 0.000 0.919 286 L HN 0.163 nan 8.230 nan 0.000 0.442 287 R N -0.861 119.683 120.500 0.072 0.000 2.073 287 R HA -0.081 4.259 4.340 -0.001 0.000 0.229 287 R C 2.238 178.597 176.300 0.099 0.000 1.120 287 R CA 1.589 57.731 56.100 0.071 0.000 0.967 287 R CB -0.518 29.813 30.300 0.052 0.000 0.862 287 R HN 0.242 nan 8.270 nan 0.000 0.436 288 T N 1.088 115.707 114.554 0.109 0.000 2.788 288 T HA -0.117 4.232 4.350 -0.001 0.000 0.268 288 T C 1.890 176.703 174.700 0.189 0.000 1.044 288 T CA 1.421 63.610 62.100 0.148 0.000 1.139 288 T CB -0.142 68.800 68.868 0.122 0.000 0.867 288 T HN 0.366 nan 8.240 nan 0.000 0.454 289 A N 1.272 124.187 122.820 0.158 0.000 1.933 289 A HA 0.176 4.496 4.320 -0.001 0.000 0.218 289 A C 2.617 180.271 177.584 0.116 0.000 1.175 289 A CA 1.762 53.887 52.037 0.146 0.000 0.628 289 A CB -1.005 18.074 19.000 0.132 0.000 0.814 289 A HN 0.500 nan 8.150 nan 0.000 0.444 290 A N -0.032 122.850 122.820 0.104 0.000 1.933 290 A HA -0.084 4.236 4.320 -0.001 0.000 0.218 290 A C 2.109 179.750 177.584 0.094 0.000 1.175 290 A CA 1.527 53.614 52.037 0.083 0.000 0.628 290 A CB -0.579 18.464 19.000 0.071 0.000 0.814 290 A HN 0.506 nan 8.150 nan 0.000 0.444 291 I N -0.373 120.275 120.570 0.131 0.000 2.202 291 I HA -0.263 3.907 4.170 -0.001 0.000 0.242 291 I C 3.008 179.202 176.117 0.128 0.000 1.091 291 I CA 1.022 62.422 61.300 0.167 0.000 1.368 291 I CB -0.399 37.748 38.000 0.245 0.000 1.058 291 I HN 0.355 nan 8.210 nan 0.000 0.410 292 A N 0.710 123.604 122.820 0.123 0.000 1.883 292 A HA -0.257 4.063 4.320 -0.001 0.000 0.217 292 A C 2.192 179.735 177.584 -0.067 0.000 1.186 292 A CA 1.966 53.967 52.037 -0.061 0.000 0.624 292 A CB -0.720 18.247 19.000 -0.054 0.000 0.822 292 A HN 0.469 nan 8.150 nan 0.000 0.444 293 E N -0.255 119.946 120.200 0.002 0.000 2.085 293 E HA -0.134 4.216 4.350 -0.001 0.000 0.194 293 E C 2.212 178.815 176.600 0.004 0.000 0.994 293 E CA 1.051 57.453 56.400 0.003 0.000 0.801 293 E CB -0.331 29.385 29.700 0.027 0.000 0.743 293 E HN 0.625 nan 8.360 nan 0.000 0.453 294 A N 1.015 123.850 122.820 0.025 0.000 2.070 294 A HA -0.004 4.315 4.320 -0.001 0.000 0.220 294 A C 2.184 179.781 177.584 0.021 0.000 1.159 294 A CA 1.447 53.504 52.037 0.033 0.000 0.656 294 A CB -0.253 18.783 19.000 0.060 0.000 0.800 294 A HN 0.267 nan 8.150 nan 0.000 0.453 295 A N -2.110 120.707 122.820 -0.004 0.000 2.308 295 A HA 0.451 4.771 4.320 -0.001 0.000 0.217 295 A C 1.646 179.191 177.584 -0.065 0.000 1.216 295 A CA 1.036 53.053 52.037 -0.034 0.000 0.864 295 A CB -0.610 18.353 19.000 -0.063 0.000 0.902 295 A HN 1.799 nan 8.150 nan 0.000 0.499 296 G N -0.453 108.312 108.800 -0.059 0.000 2.147 296 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.244 296 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.244 296 G C 0.030 174.878 174.900 -0.087 0.000 1.005 296 G CA 0.330 45.399 45.100 -0.053 0.000 0.713 296 G HN 0.458 nan 8.290 nan 0.000 0.515 297 I N 1.393 121.863 120.570 -0.167 0.000 2.365 297 I HA 0.489 4.659 4.170 -0.001 0.000 0.291 297 I C 1.425 177.452 176.117 -0.149 0.000 1.004 297 I CA -0.247 60.891 61.300 -0.270 0.000 1.311 297 I CB 1.317 38.915 38.000 -0.670 0.000 1.401 297 I HN 0.150 nan 8.210 nan 0.000 0.491 298 G N 6.521 115.299 108.800 -0.036 0.000 2.594 298 G HA2 0.457 4.417 3.960 -0.001 0.000 0.243 298 G HA3 0.457 4.417 3.960 -0.001 0.000 0.243 298 G C -0.486 174.497 174.900 0.138 0.000 1.229 298 G CA -0.500 44.692 45.100 0.153 0.000 0.843 298 G HN 0.461 nan 8.290 nan 0.000 0.578 299 L N 0.195 121.545 121.223 0.212 0.000 2.334 299 L HA 0.504 4.844 4.340 -0.001 0.000 0.273 299 L C -1.008 176.019 176.870 0.261 0.000 1.013 299 L CA -1.061 53.882 54.840 0.172 0.000 0.816 299 L CB 2.135 44.237 42.059 0.071 0.000 1.278 299 L HN 0.563 nan 8.230 nan 0.000 0.431 300 Y N 0.447 120.756 120.300 0.014 0.000 2.421 300 Y HA 0.579 5.129 4.550 -0.000 0.000 0.339 300 Y C 0.154 175.922 175.900 -0.221 0.000 0.996 300 Y CA -0.961 57.126 58.100 -0.022 0.000 1.046 300 Y CB 2.133 40.620 38.460 0.044 0.000 1.226 300 Y HN 0.545 nan 8.280 nan 0.000 0.445 301 G N 3.773 112.112 108.800 -0.768 0.000 2.444 301 G HA2 0.446 4.406 3.960 -0.001 0.000 0.303 301 G HA3 0.446 4.406 3.960 -0.001 0.000 0.303 301 G C 0.191 174.695 174.900 -0.660 0.000 1.032 301 G CA 0.092 44.530 45.100 -1.103 0.000 1.137 301 G HN 0.971 nan 8.290 nan 0.000 0.430 302 G N 0.348 108.987 108.800 -0.268 0.000 2.547 302 G HA2 0.603 4.562 3.960 -0.001 0.000 0.291 302 G HA3 0.603 4.562 3.960 -0.001 0.000 0.291 302 G C -0.434 174.465 174.900 -0.002 0.000 1.211 302 G CA -0.251 44.788 45.100 -0.102 0.000 0.950 302 G HN 0.707 nan 8.290 nan 0.000 0.504 303 T N -0.800 113.720 114.554 -0.057 0.000 2.868 303 T HA 0.442 4.792 4.350 -0.001 0.000 0.306 303 T C -0.020 174.588 174.700 -0.153 0.000 1.224 303 T CA -0.665 61.362 62.100 -0.122 0.000 1.012 303 T CB 1.476 70.202 68.868 -0.237 0.000 1.221 303 T HN 0.187 nan 8.240 nan 0.000 0.499 304 M N 3.529 123.023 119.600 -0.177 0.000 2.576 304 M HA 0.411 4.891 4.480 -0.001 0.000 0.322 304 M C 0.313 176.500 176.300 -0.189 0.000 1.184 304 M CA 0.094 55.275 55.300 -0.198 0.000 0.967 304 M CB -0.974 31.540 32.600 -0.143 0.000 1.372 304 M HN 0.715 nan 8.290 nan 0.000 0.509 305 L N 0.462 121.541 121.223 -0.240 0.000 3.598 305 L HA -0.251 4.089 4.340 -0.001 0.000 0.422 305 L C -0.253 176.518 176.870 -0.165 0.000 1.262 305 L CA 0.171 54.855 54.840 -0.260 0.000 0.889 305 L CB -1.762 40.162 42.059 -0.225 0.000 1.857 305 L HN 0.297 nan 8.230 nan 0.000 0.858 306 E N 0.107 120.223 120.200 -0.140 0.000 2.392 306 E HA 0.462 4.811 4.350 -0.001 0.000 0.256 306 E C 1.006 177.569 176.600 -0.062 0.000 1.145 306 E CA 0.652 57.001 56.400 -0.084 0.000 0.929 306 E CB 0.523 30.177 29.700 -0.078 0.000 0.998 306 E HN 0.276 nan 8.360 nan 0.000 0.442 307 G N -0.217 108.564 108.800 -0.033 0.000 2.494 307 G HA2 0.260 4.219 3.960 -0.001 0.000 0.270 307 G HA3 0.260 4.219 3.960 -0.001 0.000 0.270 307 G C 0.993 175.901 174.900 0.014 0.000 1.423 307 G CA -0.217 44.879 45.100 -0.007 0.000 1.055 307 G HN 0.565 nan 8.290 nan 0.000 0.536 308 G N -0.614 108.208 108.800 0.037 0.000 2.442 308 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.219 308 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.219 308 G C 1.688 176.599 174.900 0.019 0.000 1.141 308 G CA 1.043 46.172 45.100 0.048 0.000 0.763 308 G HN 0.455 nan 8.290 nan 0.000 0.554 309 I N 1.078 121.650 120.570 0.003 0.000 2.113 309 I HA -0.089 4.081 4.170 -0.001 0.000 0.238 309 I C 3.113 179.209 176.117 -0.035 0.000 1.070 309 I CA 1.211 62.502 61.300 -0.016 0.000 1.332 309 I CB -0.597 37.393 38.000 -0.016 0.000 1.044 309 I HN 0.240 nan 8.210 nan 0.000 0.402 310 G N -0.138 108.639 108.800 -0.039 0.000 2.422 310 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.218 310 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.218 310 G C 1.655 176.510 174.900 -0.075 0.000 1.140 310 G CA 1.261 46.322 45.100 -0.064 0.000 0.775 310 G HN 0.284 nan 8.290 nan 0.000 0.545 311 T N 1.197 115.725 114.554 -0.043 0.000 2.777 311 T HA 0.003 4.352 4.350 -0.001 0.000 0.266 311 T C 2.395 177.074 174.700 -0.035 0.000 1.040 311 T CA 0.721 62.804 62.100 -0.028 0.000 1.141 311 T CB -0.157 68.733 68.868 0.037 0.000 0.868 311 T HN 0.142 nan 8.240 nan 0.000 0.444 312 L N 0.617 121.836 121.223 -0.007 0.000 2.156 312 L HA 0.013 4.353 4.340 -0.001 0.000 0.208 312 L C 2.983 179.880 176.870 0.045 0.000 1.095 312 L CA 0.864 55.732 54.840 0.047 0.000 0.770 312 L CB -0.575 41.527 42.059 0.073 0.000 0.914 312 L HN 0.232 nan 8.230 nan 0.000 0.439 313 A N -0.528 122.254 122.820 -0.064 0.000 1.902 313 A HA -0.189 4.131 4.320 -0.001 0.000 0.217 313 A C 2.503 179.965 177.584 -0.202 0.000 1.181 313 A CA 2.112 54.077 52.037 -0.120 0.000 0.623 313 A CB -0.520 18.405 19.000 -0.126 0.000 0.818 313 A HN 0.377 nan 8.150 nan 0.000 0.443 314 S N -0.054 115.471 115.700 -0.292 0.000 2.355 314 S HA 0.002 4.471 4.470 -0.001 0.000 0.222 314 S C 2.364 176.401 174.600 -0.938 0.000 1.031 314 S CA 1.117 58.923 58.200 -0.656 0.000 0.993 314 S CB -0.555 62.351 63.200 -0.491 0.000 0.859 314 S HN 0.805 nan 8.310 nan 0.000 0.453 315 A N 1.562 124.134 122.820 -0.412 0.000 1.883 315 A HA -0.212 4.108 4.320 -0.001 0.000 0.217 315 A C 1.806 179.276 177.584 -0.189 0.000 1.186 315 A CA 2.050 53.958 52.037 -0.214 0.000 0.624 315 A CB -1.095 17.856 19.000 -0.081 0.000 0.822 315 A HN 0.550 nan 8.150 nan 0.000 0.444 316 H N -0.491 118.465 119.070 -0.191 0.000 2.387 316 H HA 0.017 4.573 4.556 -0.000 0.000 0.299 316 H C 2.382 177.642 175.328 -0.114 0.000 1.099 316 H CA 1.666 57.643 56.048 -0.119 0.000 1.315 316 H CB -0.146 29.555 29.762 -0.102 0.000 1.380 316 H HN 0.536 nan 8.280 nan 0.000 0.513 317 A N 0.203 122.957 122.820 -0.109 0.000 1.897 317 A HA -0.100 4.220 4.320 -0.001 0.000 0.215 317 A C 1.670 179.298 177.584 0.072 0.000 1.181 317 A CA 1.144 53.137 52.037 -0.073 0.000 0.620 317 A CB -0.623 18.273 19.000 -0.175 0.000 0.821 317 A HN 0.295 nan 8.150 nan 0.000 0.443 318 F N 0.443 120.395 119.950 0.003 0.000 2.269 318 F HA -0.046 4.481 4.527 -0.000 0.000 0.301 318 F C 1.954 177.744 175.800 -0.017 0.000 1.082 318 F CA 0.095 58.091 58.000 -0.007 0.000 1.360 318 F CB -1.090 37.897 39.000 -0.022 0.000 1.041 318 F HN 0.096 nan 8.300 nan 0.000 0.512 319 L N -0.076 121.221 121.223 0.124 0.000 2.265 319 L HA -0.182 4.158 4.340 -0.001 0.000 0.215 319 L C 2.345 179.243 176.870 0.047 0.000 1.117 319 L CA 1.769 56.634 54.840 0.042 0.000 0.782 319 L CB -1.067 40.960 42.059 -0.053 0.000 0.914 319 L HN 0.297 nan 8.230 nan 0.000 0.441 320 T N -3.091 111.504 114.554 0.068 0.000 3.081 320 T HA 0.135 4.485 4.350 -0.001 0.000 0.255 320 T C 0.782 175.522 174.700 0.065 0.000 1.113 320 T CA -0.204 61.930 62.100 0.057 0.000 1.082 320 T CB -0.209 68.692 68.868 0.055 0.000 0.939 320 T HN 0.051 nan 8.240 nan 0.000 0.506 321 L N 2.669 123.946 121.223 0.089 0.000 2.416 321 L HA 0.289 4.629 4.340 -0.001 0.000 0.272 321 L C 1.932 178.829 176.870 0.046 0.000 1.161 321 L CA -0.458 54.426 54.840 0.074 0.000 0.845 321 L CB 0.349 42.459 42.059 0.086 0.000 1.119 321 L HN 0.133 nan 8.230 nan 0.000 0.464 322 N N 2.382 121.104 118.700 0.036 0.000 2.069 322 N HA -0.154 4.585 4.740 -0.001 0.000 0.191 322 N C 0.079 175.598 175.510 0.015 0.000 1.031 322 N CA 1.680 54.743 53.050 0.023 0.000 0.852 322 N CB 0.266 38.765 38.487 0.020 0.000 1.018 322 N HN 0.590 nan 8.380 nan 0.000 0.423 323 K N -1.028 119.381 120.400 0.014 0.000 2.542 323 K HA 0.336 4.656 4.320 -0.001 0.000 0.259 323 K C -1.847 174.754 176.600 0.002 0.000 0.932 323 K CA -0.545 55.743 56.287 0.002 0.000 0.820 323 K CB 0.951 33.447 32.500 -0.008 0.000 1.345 323 K HN -0.006 nan 8.250 nan 0.000 0.432 324 L N 3.446 124.661 121.223 -0.013 0.000 2.502 324 L HA 0.257 4.596 4.340 -0.001 0.000 0.247 324 L C 0.806 177.666 176.870 -0.017 0.000 1.180 324 L CA -0.208 54.625 54.840 -0.013 0.000 0.956 324 L CB 1.509 43.530 42.059 -0.062 0.000 1.282 324 L HN 0.678 nan 8.230 nan 0.000 0.470 325 S N 0.544 116.227 115.700 -0.028 0.000 2.402 325 S HA -0.183 4.287 4.470 -0.001 0.000 0.233 325 S C 0.827 175.161 174.600 -0.445 0.000 1.030 325 S CA 1.787 59.854 58.200 -0.222 0.000 1.003 325 S CB -0.162 62.904 63.200 -0.224 0.000 0.813 325 S HN 0.654 nan 8.310 nan 0.000 0.477 326 W N 1.987 123.318 121.300 0.051 0.000 3.102 326 W HA 0.300 4.960 4.660 -0.001 0.000 0.401 326 W C 0.200 176.844 176.519 0.207 0.000 1.070 326 W CA -0.557 56.852 57.345 0.106 0.000 1.921 326 W CB -0.237 29.275 29.460 0.087 0.000 1.118 326 W HN 0.125 nan 8.180 nan 0.000 0.647 327 D N -0.525 119.977 120.400 0.171 0.000 3.496 327 D HA -0.203 4.437 4.640 -0.001 0.000 0.238 327 D C 0.351 176.627 176.300 -0.040 0.000 1.707 327 D CA 1.743 55.787 54.000 0.073 0.000 1.150 327 D CB -1.056 39.791 40.800 0.078 0.000 0.759 327 D HN 0.127 nan 8.370 nan 0.000 0.936 328 T N -2.656 111.830 114.554 -0.112 0.000 2.841 328 T HA 0.604 4.954 4.350 -0.001 0.000 0.296 328 T C -0.550 174.047 174.700 -0.171 0.000 1.166 328 T CA -0.317 61.574 62.100 -0.348 0.000 1.007 328 T CB 2.198 70.968 68.868 -0.163 0.000 1.253 328 T HN 0.612 nan 8.240 nan 0.000 0.511 329 E N 1.195 121.264 120.200 -0.218 0.000 3.157 329 E HA 0.307 4.657 4.350 -0.001 0.000 0.203 329 E C -0.135 176.489 176.600 0.040 0.000 0.982 329 E CA -0.539 55.931 56.400 0.116 0.000 1.217 329 E CB -0.062 29.745 29.700 0.178 0.000 1.123 329 E HN 0.508 nan 8.360 nan 0.000 0.457 330 L N 2.343 123.632 121.223 0.110 0.000 2.533 330 L HA 0.196 4.536 4.340 -0.001 0.000 0.239 330 L C 0.014 177.044 176.870 0.266 0.000 1.376 330 L CA -0.236 54.669 54.840 0.109 0.000 1.240 330 L CB -0.768 41.398 42.059 0.179 0.000 1.487 330 L HN 0.437 nan 8.230 nan 0.000 0.419 331 F N -2.663 117.381 119.950 0.157 0.000 2.661 331 F HA 0.423 4.950 4.527 -0.001 0.000 0.306 331 F C 1.689 177.522 175.800 0.054 0.000 1.094 331 F CA -0.521 57.556 58.000 0.128 0.000 1.254 331 F CB -0.675 38.427 39.000 0.170 0.000 1.040 331 F HN 0.100 nan 8.300 nan 0.000 0.562 332 G N 2.349 110.976 108.800 -0.289 0.000 2.574 332 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.220 332 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.220 332 G C -0.662 174.241 174.900 0.004 0.000 1.173 332 G CA 1.309 46.282 45.100 -0.212 0.000 0.772 332 G HN 0.322 nan 8.290 nan 0.000 0.585 333 P HA -0.002 nan 4.420 nan 0.000 0.221 333 P C 1.799 179.165 177.300 0.111 0.000 1.145 333 P CA 0.663 63.834 63.100 0.119 0.000 0.795 333 P CB -0.073 31.766 31.700 0.232 0.000 0.775 334 L N -2.094 119.202 121.223 0.122 0.000 2.341 334 L HA -0.021 4.318 4.340 -0.001 0.000 0.214 334 L C 2.040 179.076 176.870 0.277 0.000 1.115 334 L CA 0.449 55.381 54.840 0.154 0.000 0.820 334 L CB -0.522 41.630 42.059 0.156 0.000 0.944 334 L HN 0.005 nan 8.230 nan 0.000 0.452 335 L N -0.189 121.186 121.223 0.254 0.000 2.270 335 L HA 0.104 4.444 4.340 -0.001 0.000 0.210 335 L C 0.814 177.728 176.870 0.073 0.000 1.104 335 L CA 0.992 55.929 54.840 0.162 0.000 0.804 335 L CB 0.019 42.090 42.059 0.021 0.000 0.937 335 L HN 0.012 nan 8.230 nan 0.000 0.450 336 L N 0.005 121.256 121.223 0.047 0.000 2.331 336 L HA 0.162 4.501 4.340 -0.001 0.000 0.278 336 L C 1.651 178.527 176.870 0.010 0.000 1.106 336 L CA 0.225 55.066 54.840 0.001 0.000 0.824 336 L CB 1.058 43.103 42.059 -0.024 0.000 1.142 336 L HN 0.207 nan 8.230 nan 0.000 0.443 337 T N -1.450 113.097 114.554 -0.012 0.000 3.023 337 T HA 0.008 4.357 4.350 -0.001 0.000 0.266 337 T C 0.498 175.180 174.700 -0.029 0.000 1.093 337 T CA 0.350 62.450 62.100 -0.001 0.000 1.129 337 T CB 0.157 69.029 68.868 0.007 0.000 0.899 337 T HN 0.524 nan 8.240 nan 0.000 0.491 338 E N -0.029 120.112 120.200 -0.098 0.000 2.321 338 E HA 0.539 4.889 4.350 -0.001 0.000 0.278 338 E C -1.907 174.599 176.600 -0.156 0.000 0.902 338 E CA -0.665 55.652 56.400 -0.139 0.000 0.758 338 E CB 2.064 31.585 29.700 -0.299 0.000 1.213 338 E HN 0.123 nan 8.360 nan 0.000 0.426 339 D N 1.693 122.053 120.400 -0.068 0.000 2.566 339 D HA 0.348 4.988 4.640 -0.001 0.000 0.254 339 D C 0.221 176.528 176.300 0.012 0.000 1.090 339 D CA -0.609 53.370 54.000 -0.035 0.000 1.034 339 D CB 1.292 42.099 40.800 0.011 0.000 1.434 339 D HN 0.503 nan 8.370 nan 0.000 0.509 340 I N -0.573 120.016 120.570 0.032 0.000 3.891 340 I HA 0.345 4.515 4.170 -0.001 0.000 0.331 340 I C -0.554 175.597 176.117 0.057 0.000 1.406 340 I CA -0.305 61.035 61.300 0.067 0.000 1.139 340 I CB -0.027 38.016 38.000 0.072 0.000 1.056 340 I HN -0.122 nan 8.210 nan 0.000 0.399 341 L N 1.328 122.580 121.223 0.049 0.000 2.325 341 L HA 0.540 4.879 4.340 -0.001 0.000 0.279 341 L C 1.510 178.408 176.870 0.046 0.000 1.054 341 L CA 0.231 55.097 54.840 0.044 0.000 0.804 341 L CB 1.618 43.703 42.059 0.043 0.000 1.200 341 L HN 0.172 nan 8.230 nan 0.000 0.436 342 A N 1.695 124.539 122.820 0.040 0.000 1.930 342 A HA 0.005 4.325 4.320 -0.001 0.000 0.217 342 A C 0.575 178.180 177.584 0.035 0.000 1.175 342 A CA 1.213 53.272 52.037 0.037 0.000 0.627 342 A CB -0.125 18.892 19.000 0.029 0.000 0.815 342 A HN 0.632 nan 8.150 nan 0.000 0.443 343 E N -0.042 120.179 120.200 0.035 0.000 2.241 343 E HA 0.369 4.719 4.350 -0.001 0.000 0.263 343 E C -2.824 173.803 176.600 0.046 0.000 0.882 343 E CA -2.131 54.291 56.400 0.036 0.000 0.769 343 E CB 1.859 31.575 29.700 0.027 0.000 1.185 343 E HN 0.265 nan 8.360 nan 0.000 0.415 344 P HA 0.310 nan 4.420 nan 0.000 0.274 344 P C -2.463 174.887 177.300 0.082 0.000 1.246 344 P CA -1.279 61.874 63.100 0.089 0.000 0.795 344 P CB -0.170 31.599 31.700 0.115 0.000 1.006 345 P HA 0.077 nan 4.420 nan 0.000 0.269 345 P C -0.620 176.647 177.300 -0.055 0.000 1.215 345 P CA -0.064 63.025 63.100 -0.019 0.000 0.780 345 P CB 0.238 31.898 31.700 -0.067 0.000 0.898 346 V N 3.422 123.254 119.914 -0.136 0.000 2.385 346 V HA 0.156 4.275 4.120 -0.001 0.000 0.269 346 V C -0.515 175.508 176.094 -0.118 0.000 1.043 346 V CA 0.025 62.289 62.300 -0.060 0.000 0.906 346 V CB -0.794 31.018 31.823 -0.019 0.000 0.995 346 V HN 0.398 nan 8.190 nan 0.000 0.467 347 Y N 5.554 125.925 120.300 0.119 0.000 2.328 347 Y HA 0.771 5.321 4.550 -0.001 0.000 0.336 347 Y C 0.445 176.380 175.900 0.059 0.000 0.960 347 Y CA -0.788 57.388 58.100 0.126 0.000 1.134 347 Y CB 1.603 40.106 38.460 0.072 0.000 1.166 347 Y HN 0.728 nan 8.280 nan 0.000 0.464 348 R N 1.099 121.754 120.500 0.258 0.000 2.664 348 R HA 0.351 4.691 4.340 -0.001 0.000 0.260 348 R C -1.744 174.625 176.300 0.115 0.000 1.062 348 R CA -0.948 55.195 56.100 0.071 0.000 0.902 348 R CB 1.222 31.486 30.300 -0.060 0.000 1.258 348 R HN 0.551 nan 8.270 nan 0.000 0.465 349 D N 2.683 122.993 120.400 -0.150 0.000 2.697 349 D HA -0.203 4.437 4.640 -0.001 0.000 0.238 349 D C -0.474 175.826 176.300 -0.000 0.000 1.152 349 D CA 1.731 55.575 54.000 -0.259 0.000 0.666 349 D CB -0.804 39.986 40.800 -0.018 0.000 1.037 349 D HN 0.687 nan 8.370 nan 0.000 0.423 350 F N -3.199 116.818 119.950 0.112 0.000 2.871 350 F HA -0.310 4.217 4.527 -0.000 0.000 0.326 350 F C 0.763 176.525 175.800 -0.064 0.000 0.675 350 F CA 1.087 59.095 58.000 0.013 0.000 1.188 350 F CB -2.204 36.802 39.000 0.011 0.000 1.567 350 F HN 0.383 nan 8.300 nan 0.000 0.325 351 H N -1.072 118.084 119.070 0.143 0.000 2.907 351 H HA 0.773 5.329 4.556 -0.001 0.000 0.361 351 H C -0.864 174.443 175.328 -0.036 0.000 1.194 351 H CA -1.178 54.877 56.048 0.010 0.000 1.152 351 H CB 1.524 31.145 29.762 -0.235 0.000 1.867 351 H HN 0.011 nan 8.280 nan 0.000 0.561 352 L N 1.482 122.680 121.223 -0.043 0.000 2.296 352 L HA 0.402 4.742 4.340 -0.001 0.000 0.286 352 L C -1.121 175.547 176.870 -0.338 0.000 1.023 352 L CA -0.315 54.381 54.840 -0.240 0.000 0.812 352 L CB 0.431 42.365 42.059 -0.209 0.000 1.223 352 L HN 0.624 nan 8.230 nan 0.000 0.421 353 H N 3.816 122.797 119.070 -0.149 0.000 2.541 353 H HA 0.557 5.113 4.556 -0.001 0.000 0.316 353 H C -0.676 174.580 175.328 -0.119 0.000 1.043 353 H CA -0.568 55.421 56.048 -0.098 0.000 1.232 353 H CB 1.413 31.129 29.762 -0.077 0.000 1.406 353 H HN 0.433 nan 8.280 nan 0.000 0.469 354 V N 3.455 123.336 119.914 -0.055 0.000 2.407 354 V HA 0.225 4.345 4.120 -0.001 0.000 0.278 354 V C 0.627 176.685 176.094 -0.059 0.000 1.037 354 V CA -0.699 61.542 62.300 -0.099 0.000 0.900 354 V CB 1.142 32.819 31.823 -0.244 0.000 0.983 354 V HN 0.955 nan 8.190 nan 0.000 0.459 355 S N 4.410 120.099 115.700 -0.018 0.000 2.641 355 S HA 0.347 4.817 4.470 -0.001 0.000 0.261 355 S C 0.363 174.975 174.600 0.020 0.000 1.257 355 S CA -0.471 57.733 58.200 0.007 0.000 0.983 355 S CB 0.752 63.965 63.200 0.022 0.000 0.990 355 S HN 0.683 nan 8.310 nan 0.000 0.572 356 K N 0.376 120.792 120.400 0.027 0.000 2.498 356 K HA 0.368 4.687 4.320 -0.001 0.000 0.207 356 K C 0.344 176.973 176.600 0.049 0.000 1.033 356 K CA -0.168 56.144 56.287 0.040 0.000 1.138 356 K CB 0.361 32.874 32.500 0.020 0.000 0.860 356 K HN 0.669 nan 8.250 nan 0.000 0.490 357 A N 2.621 125.473 122.820 0.053 0.000 2.425 357 A HA 0.242 4.562 4.320 -0.001 0.000 0.242 357 A C -2.328 175.279 177.584 0.038 0.000 1.077 357 A CA -1.038 51.022 52.037 0.038 0.000 0.781 357 A CB -0.141 18.878 19.000 0.031 0.000 1.020 357 A HN -0.012 nan 8.150 nan 0.000 0.494 358 P HA 0.292 nan 4.420 nan 0.000 0.267 358 P C 1.093 178.375 177.300 -0.031 0.000 1.200 358 P CA 1.747 64.846 63.100 -0.003 0.000 0.772 358 P CB 0.409 32.106 31.700 -0.005 0.000 0.855 359 G N 1.937 110.700 108.800 -0.062 0.000 2.574 359 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.286 359 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.286 359 G C 0.620 175.372 174.900 -0.247 0.000 1.212 359 G CA 0.204 45.228 45.100 -0.127 0.000 0.979 359 G HN 0.510 nan 8.290 nan 0.000 0.557 360 L N 2.426 123.506 121.223 -0.239 0.000 2.591 360 L HA 0.370 4.709 4.340 -0.001 0.000 0.228 360 L C 2.143 178.962 176.870 -0.084 0.000 1.133 360 L CA 0.725 55.385 54.840 -0.300 0.000 0.880 360 L CB -0.556 41.385 42.059 -0.197 0.000 1.033 360 L HN 1.825 nan 8.230 nan 0.000 0.450 361 G N 1.631 110.406 108.800 -0.042 0.000 2.323 361 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.292 361 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.292 361 G C -0.221 174.687 174.900 0.014 0.000 1.040 361 G CA 0.830 45.938 45.100 0.014 0.000 0.942 361 G HN 0.372 nan 8.290 nan 0.000 0.506 362 L N -3.156 118.066 121.223 -0.002 0.000 2.403 362 L HA 1.030 5.370 4.340 -0.001 0.000 0.253 362 L C -0.119 176.753 176.870 0.003 0.000 1.045 362 L CA -0.772 54.071 54.840 0.005 0.000 0.845 362 L CB 1.670 43.733 42.059 0.007 0.000 1.447 362 L HN 0.816 nan 8.230 nan 0.000 0.411 363 S N -0.252 115.455 115.700 0.011 0.000 2.564 363 S HA 0.785 5.254 4.470 -0.001 0.000 0.274 363 S C -0.728 173.884 174.600 0.020 0.000 1.124 363 S CA -0.903 57.304 58.200 0.012 0.000 0.869 363 S CB 1.239 64.447 63.200 0.013 0.000 1.105 363 S HN 0.798 nan 8.310 nan 0.000 0.472 364 L N 1.857 123.094 121.223 0.022 0.000 2.417 364 L HA 0.381 4.720 4.340 -0.001 0.000 0.268 364 L C 0.139 177.032 176.870 0.039 0.000 1.158 364 L CA -0.380 54.480 54.840 0.032 0.000 0.819 364 L CB 0.496 42.574 42.059 0.032 0.000 1.112 364 L HN 0.765 nan 8.230 nan 0.000 0.458 365 D N 2.604 123.036 120.400 0.053 0.000 2.428 365 D HA 0.022 4.662 4.640 -0.001 0.000 0.221 365 D C 0.771 177.113 176.300 0.070 0.000 1.123 365 D CA -0.254 53.782 54.000 0.060 0.000 0.869 365 D CB 1.117 41.961 40.800 0.074 0.000 1.032 365 D HN 0.437 nan 8.370 nan 0.000 0.506 366 E N 2.824 123.057 120.200 0.055 0.000 2.118 366 E HA -0.192 4.158 4.350 -0.001 0.000 0.195 366 E C 1.293 177.934 176.600 0.068 0.000 0.992 366 E CA 1.044 57.477 56.400 0.055 0.000 0.804 366 E CB 0.283 30.007 29.700 0.039 0.000 0.741 366 E HN 0.694 nan 8.360 nan 0.000 0.458 367 E N 0.324 120.564 120.200 0.067 0.000 2.047 367 E HA -0.118 4.232 4.350 -0.001 0.000 0.191 367 E C 2.255 178.923 176.600 0.115 0.000 0.987 367 E CA 0.728 57.169 56.400 0.069 0.000 0.799 367 E CB -0.037 29.688 29.700 0.042 0.000 0.752 367 E HN 0.143 nan 8.360 nan 0.000 0.449 368 R N 0.295 120.891 120.500 0.159 0.000 2.075 368 R HA -0.121 4.219 4.340 -0.001 0.000 0.232 368 R C 2.470 178.980 176.300 0.349 0.000 1.126 368 R CA 0.767 57.053 56.100 0.311 0.000 0.963 368 R CB -0.358 30.125 30.300 0.305 0.000 0.858 368 R HN 0.117 nan 8.270 nan 0.000 0.435 369 L N 0.947 122.297 121.223 0.212 0.000 2.017 369 L HA -0.110 4.229 4.340 -0.001 0.000 0.208 369 L C 2.261 179.213 176.870 0.138 0.000 1.073 369 L CA 2.016 56.959 54.840 0.171 0.000 0.745 369 L CB -0.704 41.418 42.059 0.104 0.000 0.894 369 L HN 0.130 nan 8.230 nan 0.000 0.432 370 A N -1.195 121.688 122.820 0.105 0.000 1.902 370 A HA -0.265 4.055 4.320 -0.001 0.000 0.217 370 A C 2.279 179.879 177.584 0.026 0.000 1.181 370 A CA 1.988 54.061 52.037 0.060 0.000 0.623 370 A CB -1.139 17.895 19.000 0.056 0.000 0.818 370 A HN 0.547 nan 8.150 nan 0.000 0.443 371 F N -1.171 118.701 119.950 -0.130 0.000 2.234 371 F HA 0.031 4.557 4.527 -0.001 0.000 0.296 371 F C 1.574 177.138 175.800 -0.392 0.000 1.089 371 F CA 1.280 59.083 58.000 -0.329 0.000 1.343 371 F CB -0.012 38.646 39.000 -0.570 0.000 1.040 371 F HN 0.193 nan 8.300 nan 0.000 0.498 372 F N 0.822 120.851 119.950 0.131 0.000 2.698 372 F HA 0.160 4.687 4.527 0.000 0.000 0.295 372 F C 1.151 176.945 175.800 -0.010 0.000 1.124 372 F CA -0.189 57.844 58.000 0.056 0.000 1.426 372 F CB -0.653 38.431 39.000 0.139 0.000 1.120 372 F HN -0.226 nan 8.300 nan 0.000 0.583 373 R N 1.356 121.931 120.500 0.124 0.000 2.623 373 R HA 0.192 4.532 4.340 -0.001 0.000 0.271 373 R C 0.443 176.748 176.300 0.009 0.000 1.043 373 R CA -0.504 55.636 56.100 0.067 0.000 1.083 373 R CB 0.843 31.170 30.300 0.045 0.000 0.974 373 R HN 0.149 nan 8.270 nan 0.000 0.436 374 R N 0.000 120.509 120.500 0.015 0.000 2.786 374 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 374 R CA 0.000 56.096 56.100 -0.007 0.000 0.921 374 R CB 0.000 30.303 30.300 0.005 0.000 0.687 374 R HN 0.000 nan 8.270 nan 0.000 0.535