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 1mb4_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRVGLVGWRG MVGSVLMQRM VEERDFDLIE PVFFSTSQIG VPAPNFGKDA DATA SEQUENCE GMLHDAFDIE SLKQLDAVIT CQGGSYTEKV YPALRQAGWK GYWIDAASTL DATA SEQUENCE RMDKEAIITL DPVNLKQILH GIHHGTKTFV GGNCTVSLML MALGGLYERG DATA SEQUENCE LVEWMSAMTY QAASGAGAQN MRELISQMGV INDAVSSELA NPASSILDID DATA SEQUENCE KKVAETMRSG SFPTDNFGVP LAGSLIPWID VKRDNGQSKE EWKAGVEANK DATA SEQUENCE ILGLQDSPVP IDGTCVRIGA MRCHSQALTI KLKQNIPLDE IEEMIATHND DATA SEQUENCE WVKVIPNERD ITARELTPAK VTGTLSVPVG RLRKMAMGDD FLNAFTVGDQ DATA SEQUENCE LLWGAAEPLR RTLRIILAE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.326 176.300 0.044 0.000 1.140 1 M CA 0.000 55.321 55.300 0.036 0.000 0.988 1 M CB 0.000 32.609 32.600 0.015 0.000 1.302 2 R N 3.779 124.319 120.500 0.066 0.000 2.202 2 R HA 0.674 5.014 4.340 -0.000 0.000 0.334 2 R C -1.764 174.585 176.300 0.081 0.000 1.036 2 R CA -0.287 55.853 56.100 0.068 0.000 0.878 2 R CB 0.841 31.189 30.300 0.080 0.000 1.067 2 R HN 0.536 nan 8.270 nan 0.000 0.457 3 V N 3.970 123.911 119.914 0.044 0.000 2.409 3 V HA 0.452 4.572 4.120 -0.000 0.000 0.291 3 V C 0.618 176.710 176.094 -0.003 0.000 1.020 3 V CA -0.886 61.431 62.300 0.028 0.000 0.848 3 V CB 1.681 33.491 31.823 -0.022 0.000 0.990 3 V HN 0.918 nan 8.190 nan 0.000 0.430 4 G N 5.004 113.823 108.800 0.033 0.000 2.395 4 G HA2 0.596 4.556 3.960 -0.000 0.000 0.283 4 G HA3 0.596 4.556 3.960 -0.000 0.000 0.283 4 G C -0.892 173.985 174.900 -0.038 0.000 1.178 4 G CA -0.437 44.716 45.100 0.087 0.000 0.837 4 G HN 0.414 nan 8.290 nan 0.000 0.518 5 L N 2.427 123.646 121.223 -0.006 0.000 2.325 5 L HA 0.491 4.831 4.340 -0.000 0.000 0.281 5 L C -0.211 176.805 176.870 0.243 0.000 1.004 5 L CA -0.858 53.980 54.840 -0.004 0.000 0.823 5 L CB 1.161 43.114 42.059 -0.177 0.000 1.236 5 L HN 0.199 nan 8.230 nan 0.000 0.415 6 V N 0.928 120.885 119.914 0.072 0.000 2.604 6 V HA 0.744 4.864 4.120 -0.000 0.000 0.305 6 V C 0.822 176.858 176.094 -0.098 0.000 1.043 6 V CA -0.240 62.039 62.300 -0.035 0.000 0.888 6 V CB 1.539 33.118 31.823 -0.406 0.000 0.995 6 V HN 0.977 nan 8.190 nan 0.000 0.429 7 G N 2.603 111.282 108.800 -0.202 0.000 2.147 7 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.244 7 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.244 7 G C 0.536 175.341 174.900 -0.158 0.000 1.005 7 G CA 0.567 45.518 45.100 -0.249 0.000 0.713 7 G HN 1.091 nan 8.290 nan 0.000 0.515 8 W N -0.446 120.886 121.300 0.053 0.000 2.525 8 W HA 0.102 4.762 4.660 -0.000 0.000 0.259 8 W C 1.599 178.193 176.519 0.125 0.000 1.253 8 W CA 0.752 58.172 57.345 0.124 0.000 1.262 8 W CB -0.585 29.070 29.460 0.324 0.000 1.122 8 W HN 0.417 nan 8.180 nan 0.000 0.607 9 R N 1.252 121.362 120.500 -0.649 0.000 2.173 9 R HA 0.150 4.490 4.340 -0.000 0.000 0.208 9 R C 1.765 177.926 176.300 -0.232 0.000 1.035 9 R CA 0.795 56.563 56.100 -0.554 0.000 1.004 9 R CB -0.391 29.256 30.300 -1.088 0.000 0.917 9 R HN 0.073 nan 8.270 nan 0.000 0.462 10 G N 0.260 108.934 108.800 -0.211 0.000 2.583 10 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.275 10 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.275 10 G C 0.620 175.487 174.900 -0.054 0.000 1.342 10 G CA -0.297 44.732 45.100 -0.119 0.000 1.030 10 G HN 0.212 nan 8.290 nan 0.000 0.520 11 M N -1.039 118.537 119.600 -0.040 0.000 2.059 11 M HA -0.111 4.369 4.480 -0.000 0.000 0.259 11 M C 2.508 178.797 176.300 -0.019 0.000 1.072 11 M CA 1.682 56.970 55.300 -0.020 0.000 1.117 11 M CB -0.359 32.232 32.600 -0.016 0.000 1.320 11 M HN 0.222 nan 8.290 nan 0.000 0.408 12 V N 0.443 120.341 119.914 -0.026 0.000 2.343 12 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 12 V C 2.585 178.663 176.094 -0.027 0.000 1.051 12 V CA 2.088 64.370 62.300 -0.031 0.000 1.036 12 V CB -1.710 30.094 31.823 -0.032 0.000 0.654 12 V HN 0.770 nan 8.190 nan 0.000 0.451 13 G N -0.787 108.004 108.800 -0.016 0.000 2.432 13 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 13 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 13 G C 1.827 176.764 174.900 0.062 0.000 1.135 13 G CA 1.195 46.311 45.100 0.027 0.000 0.767 13 G HN 0.519 nan 8.290 nan 0.000 0.550 14 S N -0.232 115.499 115.700 0.052 0.000 2.383 14 S HA -0.060 4.410 4.470 -0.000 0.000 0.227 14 S C 2.485 177.097 174.600 0.019 0.000 1.026 14 S CA 0.930 59.175 58.200 0.075 0.000 0.981 14 S CB -0.089 63.154 63.200 0.073 0.000 0.818 14 S HN 0.190 nan 8.310 nan 0.000 0.472 15 V N 1.835 121.742 119.914 -0.011 0.000 2.358 15 V HA -0.107 4.013 4.120 -0.000 0.000 0.246 15 V C 2.219 178.269 176.094 -0.074 0.000 1.047 15 V CA 1.363 63.639 62.300 -0.042 0.000 1.035 15 V CB -0.583 31.206 31.823 -0.056 0.000 0.658 15 V HN 0.374 nan 8.190 nan 0.000 0.452 16 L N -0.559 120.619 121.223 -0.074 0.000 2.046 16 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 16 L C 2.325 179.121 176.870 -0.123 0.000 1.077 16 L CA 2.069 56.845 54.840 -0.106 0.000 0.747 16 L CB -0.548 41.460 42.059 -0.084 0.000 0.896 16 L HN 0.158 nan 8.230 nan 0.000 0.432 17 M N -0.788 118.744 119.600 -0.113 0.000 2.117 17 M HA -0.240 4.240 4.480 -0.000 0.000 0.262 17 M C 2.320 178.486 176.300 -0.223 0.000 1.065 17 M CA 1.826 56.963 55.300 -0.272 0.000 1.114 17 M CB -1.335 30.948 32.600 -0.529 0.000 1.361 17 M HN 0.535 nan 8.290 nan 0.000 0.408 18 Q N -0.169 119.563 119.800 -0.113 0.000 2.119 18 Q HA -0.155 4.185 4.340 -0.000 0.000 0.201 18 Q C 2.102 178.071 176.000 -0.051 0.000 0.972 18 Q CA 1.149 56.927 55.803 -0.042 0.000 0.847 18 Q CB 0.146 28.879 28.738 -0.008 0.000 0.903 18 Q HN 0.285 nan 8.270 nan 0.000 0.433 19 R N -0.065 120.378 120.500 -0.094 0.000 2.092 19 R HA -0.018 4.322 4.340 -0.000 0.000 0.231 19 R C 2.120 178.339 176.300 -0.134 0.000 1.119 19 R CA 1.180 57.209 56.100 -0.119 0.000 0.970 19 R CB -0.402 29.796 30.300 -0.172 0.000 0.864 19 R HN 0.447 nan 8.270 nan 0.000 0.440 20 M N -0.059 119.439 119.600 -0.171 0.000 2.229 20 M HA -0.105 4.375 4.480 -0.000 0.000 0.264 20 M C 2.198 178.428 176.300 -0.117 0.000 1.063 20 M CA 1.079 56.215 55.300 -0.274 0.000 1.114 20 M CB -0.072 32.204 32.600 -0.541 0.000 1.387 20 M HN -0.133 nan 8.290 nan 0.000 0.420 21 V N 0.457 120.400 119.914 0.049 0.000 2.323 21 V HA -0.225 3.895 4.120 -0.000 0.000 0.244 21 V C 1.977 178.114 176.094 0.072 0.000 1.041 21 V CA 1.827 64.223 62.300 0.161 0.000 1.025 21 V CB -0.626 31.297 31.823 0.167 0.000 0.656 21 V HN 0.464 nan 8.190 nan 0.000 0.451 22 E N -0.132 120.082 120.200 0.022 0.000 2.118 22 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 22 E C 1.955 178.554 176.600 -0.003 0.000 0.992 22 E CA 1.202 57.608 56.400 0.010 0.000 0.804 22 E CB -0.072 29.624 29.700 -0.007 0.000 0.741 22 E HN 0.526 nan 8.360 nan 0.000 0.458 23 E N 0.146 120.326 120.200 -0.034 0.000 2.489 23 E HA 0.049 4.399 4.350 -0.000 0.000 0.193 23 E C -0.086 176.490 176.600 -0.040 0.000 1.057 23 E CA -0.023 56.350 56.400 -0.044 0.000 0.866 23 E CB 0.205 29.855 29.700 -0.083 0.000 0.916 23 E HN 0.173 nan 8.360 nan 0.000 0.500 24 R N 0.862 121.353 120.500 -0.014 0.000 3.525 24 R HA -0.157 4.183 4.340 -0.000 0.000 0.276 24 R C 0.028 176.304 176.300 -0.040 0.000 1.116 24 R CA 0.617 56.727 56.100 0.017 0.000 0.745 24 R CB -1.506 28.810 30.300 0.026 0.000 1.185 24 R HN 0.117 nan 8.270 nan 0.000 0.454 25 D N -0.204 120.097 120.400 -0.165 0.000 2.219 25 D HA -0.117 4.523 4.640 -0.000 0.000 0.205 25 D C 1.389 177.525 176.300 -0.273 0.000 0.970 25 D CA 1.187 55.022 54.000 -0.276 0.000 0.851 25 D CB -0.155 40.375 40.800 -0.450 0.000 0.943 25 D HN 0.380 nan 8.370 nan 0.000 0.488 26 F N 1.301 121.243 119.950 -0.014 0.000 2.365 26 F HA -0.091 4.436 4.527 -0.000 0.000 0.300 26 F C 1.871 177.677 175.800 0.009 0.000 1.090 26 F CA 0.497 58.502 58.000 0.008 0.000 1.408 26 F CB 0.074 39.107 39.000 0.055 0.000 1.060 26 F HN -0.150 nan 8.300 nan 0.000 0.534 27 D N 0.157 120.644 120.400 0.143 0.000 2.312 27 D HA -0.039 4.601 4.640 -0.000 0.000 0.211 27 D C 1.907 178.237 176.300 0.049 0.000 0.964 27 D CA 0.942 54.996 54.000 0.090 0.000 0.877 27 D CB -0.057 40.780 40.800 0.061 0.000 0.924 27 D HN 0.337 nan 8.370 nan 0.000 0.515 28 L N 0.348 121.583 121.223 0.019 0.000 2.640 28 L HA 0.294 4.634 4.340 -0.000 0.000 0.230 28 L C 1.001 177.869 176.870 -0.004 0.000 1.123 28 L CA -0.020 54.816 54.840 -0.006 0.000 0.900 28 L CB 0.039 42.074 42.059 -0.041 0.000 1.146 28 L HN -0.039 nan 8.230 nan 0.000 0.484 29 I N -3.865 116.718 120.570 0.022 0.000 3.239 29 I HA 0.472 4.642 4.170 -0.000 0.000 0.314 29 I C -0.721 175.441 176.117 0.074 0.000 1.126 29 I CA -0.798 60.520 61.300 0.029 0.000 0.973 29 I CB 2.417 40.414 38.000 -0.005 0.000 1.252 29 I HN -0.134 nan 8.210 nan 0.000 0.463 30 E N 4.282 124.518 120.200 0.059 0.000 2.121 30 E HA 0.448 4.798 4.350 -0.000 0.000 0.255 30 E C -2.605 174.025 176.600 0.050 0.000 0.906 30 E CA -2.253 54.184 56.400 0.061 0.000 0.745 30 E CB 1.148 30.875 29.700 0.045 0.000 1.155 30 E HN 0.411 nan 8.360 nan 0.000 0.424 31 P HA 0.074 nan 4.420 nan 0.000 0.280 31 P C -0.644 176.591 177.300 -0.108 0.000 1.244 31 P CA -0.344 62.737 63.100 -0.031 0.000 0.784 31 P CB 1.469 33.209 31.700 0.065 0.000 0.913 32 V N 4.579 124.361 119.914 -0.221 0.000 2.443 32 V HA 0.308 4.428 4.120 -0.000 0.000 0.293 32 V C -0.188 175.747 176.094 -0.266 0.000 1.021 32 V CA -0.434 61.746 62.300 -0.201 0.000 0.848 32 V CB 0.708 32.419 31.823 -0.188 0.000 0.998 32 V HN 0.337 nan 8.190 nan 0.000 0.424 33 F N 4.699 124.574 119.950 -0.125 0.000 2.404 33 F HA 0.657 5.184 4.527 -0.000 0.000 0.345 33 F C -0.007 175.769 175.800 -0.041 0.000 1.110 33 F CA -0.300 57.650 58.000 -0.083 0.000 1.130 33 F CB 0.892 39.659 39.000 -0.389 0.000 1.129 33 F HN 0.285 nan 8.300 nan 0.000 0.500 34 F N 1.036 121.200 119.950 0.356 0.000 2.523 34 F HA 0.608 5.135 4.527 0.000 0.000 0.329 34 F C 0.260 176.273 175.800 0.355 0.000 1.061 34 F CA -0.706 57.469 58.000 0.291 0.000 0.967 34 F CB 2.026 41.087 39.000 0.102 0.000 1.218 34 F HN 0.312 nan 8.300 nan 0.000 0.480 35 S N -0.700 115.217 115.700 0.363 0.000 2.548 35 S HA 0.479 4.949 4.470 -0.000 0.000 0.286 35 S C 0.164 174.831 174.600 0.111 0.000 1.098 35 S CA -0.193 58.134 58.200 0.211 0.000 0.930 35 S CB 1.358 64.687 63.200 0.216 0.000 1.070 35 S HN 0.782 nan 8.310 nan 0.000 0.480 36 T N -0.346 114.237 114.554 0.048 0.000 3.054 36 T HA 0.226 4.576 4.350 -0.000 0.000 0.255 36 T C 1.100 175.952 174.700 0.252 0.000 1.035 36 T CA 0.576 62.785 62.100 0.180 0.000 0.941 36 T CB -0.104 68.841 68.868 0.130 0.000 1.026 36 T HN 0.565 nan 8.240 nan 0.000 0.533 37 S N -0.420 115.365 115.700 0.141 0.000 2.727 37 S HA 0.324 4.794 4.470 -0.000 0.000 0.249 37 S C 0.336 174.992 174.600 0.093 0.000 1.079 37 S CA -0.494 57.770 58.200 0.106 0.000 0.912 37 S CB 0.220 63.449 63.200 0.049 0.000 0.861 37 S HN 0.492 nan 8.310 nan 0.000 0.484 38 Q N 0.582 120.438 119.800 0.095 0.000 2.327 38 Q HA 0.611 4.951 4.340 -0.000 0.000 0.265 38 Q C -1.653 174.395 176.000 0.079 0.000 0.993 38 Q CA -0.768 55.081 55.803 0.076 0.000 0.885 38 Q CB 1.886 30.656 28.738 0.053 0.000 1.379 38 Q HN 0.627 nan 8.270 nan 0.000 0.408 39 I N -0.726 119.876 120.570 0.055 0.000 3.170 39 I HA 0.922 5.092 4.170 -0.000 0.000 0.312 39 I C 0.801 176.903 176.117 -0.025 0.000 1.085 39 I CA -0.058 61.253 61.300 0.018 0.000 0.999 39 I CB 1.959 39.973 38.000 0.024 0.000 1.233 39 I HN 0.800 nan 8.210 nan 0.000 0.467 40 G N 1.617 110.367 108.800 -0.084 0.000 2.320 40 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.242 40 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.242 40 G C 0.324 175.173 174.900 -0.084 0.000 1.033 40 G CA 0.262 45.306 45.100 -0.093 0.000 0.620 40 G HN 1.356 nan 8.290 nan 0.000 0.517 41 V N -0.624 119.254 119.914 -0.059 0.000 3.083 41 V HA 0.698 4.818 4.120 -0.000 0.000 0.306 41 V C -1.443 174.603 176.094 -0.080 0.000 1.077 41 V CA -1.702 60.564 62.300 -0.057 0.000 1.073 41 V CB 0.869 32.673 31.823 -0.032 0.000 1.081 41 V HN 0.278 nan 8.190 nan 0.000 0.474 42 P HA 0.217 nan 4.420 nan 0.000 0.265 42 P C -0.172 177.022 177.300 -0.176 0.000 1.193 42 P CA 0.311 63.334 63.100 -0.129 0.000 0.765 42 P CB 0.564 32.186 31.700 -0.130 0.000 0.823 43 A N 5.864 128.544 122.820 -0.234 0.000 2.313 43 A HA 0.500 4.820 4.320 -0.000 0.000 0.261 43 A C -1.853 175.328 177.584 -0.672 0.000 1.090 43 A CA -1.363 50.422 52.037 -0.419 0.000 0.807 43 A CB -1.157 17.633 19.000 -0.349 0.000 1.055 43 A HN 0.472 nan 8.150 nan 0.000 0.492 44 P HA 0.071 nan 4.420 nan 0.000 0.269 44 P C -0.971 175.617 177.300 -1.187 0.000 1.215 44 P CA -0.113 62.275 63.100 -1.188 0.000 0.780 44 P CB 0.359 31.109 31.700 -1.583 0.000 0.898 45 N N 1.416 119.552 118.700 -0.939 0.000 2.609 45 N HA 0.263 5.003 4.740 -0.000 0.000 0.234 45 N C -0.698 174.393 175.510 -0.698 0.000 1.001 45 N CA -0.440 52.209 53.050 -0.668 0.000 0.926 45 N CB -0.360 37.887 38.487 -0.400 0.000 1.130 45 N HN 0.219 nan 8.380 nan 0.000 0.510 46 F N 2.351 122.037 119.950 -0.440 0.000 2.798 46 F HA 0.384 4.911 4.527 -0.000 0.000 0.291 46 F C 1.736 177.375 175.800 -0.269 0.000 1.174 46 F CA 0.112 57.894 58.000 -0.363 0.000 1.392 46 F CB 0.618 39.296 39.000 -0.536 0.000 0.966 46 F HN 0.718 nan 8.300 nan 0.000 0.509 47 G N 0.448 109.187 108.800 -0.102 0.000 3.736 47 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.196 47 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.196 47 G C -0.088 174.775 174.900 -0.061 0.000 1.811 47 G CA -0.575 44.503 45.100 -0.037 0.000 1.175 47 G HN 0.220 nan 8.290 nan 0.000 0.429 48 K N 1.265 121.618 120.400 -0.078 0.000 2.156 48 K HA 0.609 4.929 4.320 -0.000 0.000 0.250 48 K C -1.479 175.066 176.600 -0.093 0.000 0.955 48 K CA -0.717 55.538 56.287 -0.054 0.000 0.855 48 K CB 2.554 35.055 32.500 0.001 0.000 1.101 48 K HN 0.072 nan 8.250 nan 0.000 0.434 49 D N 1.678 122.034 120.400 -0.074 0.000 2.401 49 D HA 0.073 4.713 4.640 -0.000 0.000 0.254 49 D C -0.006 176.265 176.300 -0.049 0.000 1.192 49 D CA 0.080 54.027 54.000 -0.088 0.000 0.885 49 D CB 1.255 42.015 40.800 -0.067 0.000 1.147 49 D HN 0.659 nan 8.370 nan 0.000 0.478 50 A N 2.987 125.773 122.820 -0.057 0.000 2.390 50 A HA 0.528 4.848 4.320 -0.000 0.000 0.232 50 A C 1.178 178.789 177.584 0.044 0.000 1.233 50 A CA 0.802 52.866 52.037 0.045 0.000 0.907 50 A CB -0.005 19.125 19.000 0.217 0.000 0.967 50 A HN 0.869 nan 8.150 nan 0.000 0.512 51 G N 0.324 109.112 108.800 -0.020 0.000 2.520 51 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.248 51 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.248 51 G C 0.208 175.073 174.900 -0.059 0.000 1.161 51 G CA 0.173 45.263 45.100 -0.017 0.000 0.946 51 G HN 1.321 nan 8.290 nan 0.000 0.565 52 M N -0.424 119.132 119.600 -0.073 0.000 2.753 52 M HA 0.860 5.340 4.480 -0.000 0.000 0.299 52 M C 0.054 176.255 176.300 -0.165 0.000 1.219 52 M CA -0.949 54.257 55.300 -0.157 0.000 0.900 52 M CB 1.490 33.951 32.600 -0.231 0.000 1.628 52 M HN 0.447 nan 8.290 nan 0.000 0.502 53 L N 2.237 123.374 121.223 -0.143 0.000 2.319 53 L HA 0.343 4.683 4.340 -0.000 0.000 0.280 53 L C 0.050 176.797 176.870 -0.204 0.000 1.099 53 L CA -0.304 54.509 54.840 -0.045 0.000 0.828 53 L CB 0.123 42.220 42.059 0.063 0.000 1.150 53 L HN 0.662 nan 8.230 nan 0.000 0.442 54 H N 1.443 120.364 119.070 -0.249 0.000 2.508 54 H HA 0.116 4.672 4.556 -0.000 0.000 0.344 54 H C -0.786 174.520 175.328 -0.037 0.000 1.192 54 H CA -0.807 55.048 56.048 -0.323 0.000 1.290 54 H CB 1.890 31.083 29.762 -0.949 0.000 1.571 54 H HN 0.461 nan 8.280 nan 0.000 0.555 55 D N 0.921 121.461 120.400 0.233 0.000 2.342 55 D HA 0.072 4.712 4.640 -0.000 0.000 0.260 55 D C 0.839 177.447 176.300 0.513 0.000 1.278 55 D CA -0.080 54.118 54.000 0.331 0.000 0.910 55 D CB 0.680 41.648 40.800 0.280 0.000 1.079 55 D HN 0.617 nan 8.370 nan 0.000 0.496 56 A N 3.753 126.797 122.820 0.374 0.000 2.178 56 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 56 A C 1.383 178.933 177.584 -0.056 0.000 1.157 56 A CA 0.833 52.948 52.037 0.130 0.000 0.689 56 A CB -0.442 18.414 19.000 -0.239 0.000 0.787 56 A HN 0.586 nan 8.150 nan 0.000 0.465 57 F N -0.675 119.456 119.950 0.302 0.000 2.721 57 F HA 0.181 4.708 4.527 -0.000 0.000 0.301 57 F C 0.503 176.373 175.800 0.118 0.000 1.096 57 F CA -0.684 57.429 58.000 0.188 0.000 1.308 57 F CB 0.044 39.138 39.000 0.156 0.000 1.086 57 F HN 0.099 nan 8.300 nan 0.000 0.587 58 D N 1.212 121.785 120.400 0.289 0.000 2.344 58 D HA 0.081 4.721 4.640 -0.000 0.000 0.253 58 D C 1.549 177.918 176.300 0.115 0.000 1.255 58 D CA 0.149 54.270 54.000 0.202 0.000 0.894 58 D CB 0.426 41.359 40.800 0.222 0.000 1.067 58 D HN -0.095 nan 8.370 nan 0.000 0.492 59 I N 3.127 123.733 120.570 0.061 0.000 2.151 59 I HA -0.218 3.952 4.170 -0.000 0.000 0.243 59 I C 2.089 178.195 176.117 -0.018 0.000 1.080 59 I CA 1.177 62.468 61.300 -0.016 0.000 1.339 59 I CB -0.742 37.248 38.000 -0.018 0.000 1.039 59 I HN 0.564 nan 8.210 nan 0.000 0.409 60 E N 0.873 121.093 120.200 0.033 0.000 2.085 60 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 60 E C 2.410 179.048 176.600 0.063 0.000 0.994 60 E CA 1.421 57.849 56.400 0.046 0.000 0.801 60 E CB -0.172 29.566 29.700 0.064 0.000 0.743 60 E HN 0.407 nan 8.360 nan 0.000 0.453 61 S N 0.831 116.600 115.700 0.115 0.000 2.356 61 S HA -0.092 4.378 4.470 -0.000 0.000 0.223 61 S C 2.171 176.850 174.600 0.131 0.000 1.032 61 S CA 0.827 59.144 58.200 0.195 0.000 1.005 61 S CB -0.248 63.180 63.200 0.379 0.000 0.867 61 S HN 0.202 nan 8.310 nan 0.000 0.449 62 L N 1.129 122.329 121.223 -0.038 0.000 2.131 62 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 62 L C 2.260 178.871 176.870 -0.433 0.000 1.092 62 L CA 1.115 55.753 54.840 -0.336 0.000 0.759 62 L CB -0.466 41.303 42.059 -0.482 0.000 0.903 62 L HN 0.228 nan 8.230 nan 0.000 0.435 63 K N -0.244 119.999 120.400 -0.263 0.000 2.360 63 K HA -0.135 4.185 4.320 -0.000 0.000 0.201 63 K C 1.746 178.440 176.600 0.158 0.000 1.046 63 K CA 0.648 56.881 56.287 -0.090 0.000 0.945 63 K CB 0.051 32.575 32.500 0.041 0.000 0.750 63 K HN 0.324 nan 8.250 nan 0.000 0.464 64 Q N 0.220 120.086 119.800 0.110 0.000 2.403 64 Q HA 0.112 4.452 4.340 -0.000 0.000 0.203 64 Q C 0.448 176.565 176.000 0.195 0.000 0.932 64 Q CA 0.420 56.313 55.803 0.151 0.000 0.945 64 Q CB 0.113 28.917 28.738 0.110 0.000 1.045 64 Q HN 0.300 nan 8.270 nan 0.000 0.511 65 L N 0.518 121.895 121.223 0.255 0.000 2.360 65 L HA 0.244 4.584 4.340 -0.000 0.000 0.271 65 L C 0.972 178.131 176.870 0.481 0.000 1.057 65 L CA -0.542 54.481 54.840 0.305 0.000 0.803 65 L CB 0.788 42.981 42.059 0.223 0.000 1.207 65 L HN -0.155 nan 8.230 nan 0.000 0.445 66 D N 0.725 121.320 120.400 0.326 0.000 2.301 66 D HA 0.217 4.857 4.640 -0.000 0.000 0.206 66 D C 0.289 176.792 176.300 0.338 0.000 0.979 66 D CA 0.639 54.796 54.000 0.263 0.000 0.874 66 D CB 0.908 41.810 40.800 0.170 0.000 0.968 66 D HN 0.563 nan 8.370 nan 0.000 0.510 67 A N -0.105 122.954 122.820 0.400 0.000 2.610 67 A HA 0.571 4.891 4.320 -0.000 0.000 0.291 67 A C -1.567 176.205 177.584 0.312 0.000 1.086 67 A CA -0.528 51.761 52.037 0.420 0.000 0.677 67 A CB 1.730 20.878 19.000 0.247 0.000 1.278 67 A HN -0.114 nan 8.150 nan 0.000 0.414 68 V N 1.372 121.434 119.914 0.247 0.000 2.623 68 V HA 0.481 4.601 4.120 -0.000 0.000 0.304 68 V C -0.898 175.066 176.094 -0.216 0.000 1.054 68 V CA -0.150 62.103 62.300 -0.077 0.000 0.882 68 V CB 1.664 33.304 31.823 -0.306 0.000 1.002 68 V HN 0.697 nan 8.190 nan 0.000 0.424 69 I N 3.715 124.151 120.570 -0.224 0.000 2.382 69 I HA 0.478 4.648 4.170 -0.000 0.000 0.286 69 I C -0.067 175.895 176.117 -0.258 0.000 1.002 69 I CA -0.145 61.023 61.300 -0.219 0.000 1.135 69 I CB 1.926 39.839 38.000 -0.145 0.000 1.288 69 I HN 0.616 nan 8.210 nan 0.000 0.448 70 T N 4.672 119.027 114.554 -0.332 0.000 2.824 70 T HA 0.360 4.710 4.350 -0.000 0.000 0.282 70 T C -0.111 174.505 174.700 -0.140 0.000 0.993 70 T CA -0.334 61.606 62.100 -0.266 0.000 0.967 70 T CB 0.965 69.629 68.868 -0.340 0.000 0.960 70 T HN 0.724 nan 8.240 nan 0.000 0.441 71 C N 4.111 123.346 119.300 -0.108 0.000 2.976 71 C HA 0.288 4.748 4.460 -0.000 0.000 0.274 71 C C 1.902 176.848 174.990 -0.074 0.000 1.487 71 C CA -0.502 58.477 59.018 -0.064 0.000 1.789 71 C CB -0.775 26.934 27.740 -0.051 0.000 2.771 71 C HN 0.973 nan 8.230 nan 0.000 0.551 72 Q N 1.951 121.680 119.800 -0.118 0.000 2.119 72 Q HA 0.311 4.651 4.340 -0.000 0.000 0.201 72 Q C 1.069 177.069 176.000 -0.001 0.000 0.972 72 Q CA 1.921 57.635 55.803 -0.148 0.000 0.847 72 Q CB 0.028 28.510 28.738 -0.428 0.000 0.903 72 Q HN 0.703 nan 8.270 nan 0.000 0.433 73 G N -3.394 105.461 108.800 0.091 0.000 2.355 73 G HA2 0.138 4.098 3.960 -0.000 0.000 0.619 73 G HA3 0.138 4.098 3.960 -0.000 0.000 0.619 73 G C 0.377 175.395 174.900 0.196 0.000 1.337 73 G CA -0.310 44.864 45.100 0.123 0.000 0.993 73 G HN 0.273 nan 8.290 nan 0.000 0.599 74 G N -0.479 108.411 108.800 0.150 0.000 2.408 74 G HA2 0.074 4.034 3.960 -0.000 0.000 0.217 74 G HA3 0.074 4.034 3.960 -0.000 0.000 0.217 74 G C 2.166 177.157 174.900 0.152 0.000 1.150 74 G CA 2.098 47.285 45.100 0.145 0.000 0.776 74 G HN 1.744 nan 8.290 nan 0.000 0.542 75 S N -0.545 115.247 115.700 0.155 0.000 2.370 75 S HA -0.227 4.243 4.470 -0.000 0.000 0.226 75 S C 2.105 176.834 174.600 0.214 0.000 1.033 75 S CA 1.749 60.042 58.200 0.155 0.000 1.011 75 S CB -0.459 62.829 63.200 0.148 0.000 0.852 75 S HN 0.527 nan 8.310 nan 0.000 0.457 76 Y N 1.939 122.336 120.300 0.162 0.000 2.163 76 Y HA -0.056 4.494 4.550 0.000 0.000 0.288 76 Y C 2.545 178.582 175.900 0.228 0.000 1.136 76 Y CA 2.239 60.464 58.100 0.209 0.000 1.147 76 Y CB -1.028 37.513 38.460 0.135 0.000 0.987 76 Y HN 0.265 nan 8.280 nan 0.000 0.509 77 T N 0.481 115.153 114.554 0.197 0.000 2.746 77 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 77 T C 1.598 176.291 174.700 -0.011 0.000 1.039 77 T CA 1.846 64.035 62.100 0.149 0.000 1.142 77 T CB -0.248 68.785 68.868 0.274 0.000 0.866 77 T HN 0.469 nan 8.240 nan 0.000 0.444 78 E N 0.687 120.901 120.200 0.024 0.000 2.110 78 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 78 E C 2.332 178.922 176.600 -0.017 0.000 0.988 78 E CA 0.877 57.281 56.400 0.007 0.000 0.804 78 E CB -0.006 29.712 29.700 0.030 0.000 0.745 78 E HN 0.433 nan 8.360 nan 0.000 0.458 79 K N 0.080 120.468 120.400 -0.020 0.000 2.076 79 K HA -0.049 4.271 4.320 -0.000 0.000 0.204 79 K C 2.074 178.635 176.600 -0.066 0.000 1.051 79 K CA 0.932 57.211 56.287 -0.013 0.000 0.949 79 K CB 0.250 32.796 32.500 0.077 0.000 0.726 79 K HN -0.017 nan 8.250 nan 0.000 0.443 80 V N -0.122 119.678 119.914 -0.190 0.000 2.492 80 V HA -0.149 3.971 4.120 -0.000 0.000 0.241 80 V C 1.855 177.771 176.094 -0.297 0.000 1.041 80 V CA 0.891 63.046 62.300 -0.243 0.000 1.057 80 V CB -0.477 31.083 31.823 -0.439 0.000 0.711 80 V HN 0.205 nan 8.190 nan 0.000 0.468 81 Y N 2.327 122.298 120.300 -0.549 0.000 2.053 81 Y HA -0.220 4.330 4.550 -0.000 0.000 0.277 81 Y C -0.005 175.651 175.900 -0.407 0.000 1.159 81 Y CA 2.651 60.304 58.100 -0.746 0.000 1.125 81 Y CB -1.606 36.308 38.460 -0.911 0.000 0.969 81 Y HN 0.285 nan 8.280 nan 0.000 0.492 82 P HA -0.239 nan 4.420 nan 0.000 0.215 82 P C 1.445 178.611 177.300 -0.223 0.000 1.157 82 P CA 2.673 65.661 63.100 -0.187 0.000 0.874 82 P CB -0.359 31.308 31.700 -0.056 0.000 0.790 83 A N -0.850 121.863 122.820 -0.178 0.000 1.902 83 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 83 A C 2.154 179.639 177.584 -0.165 0.000 1.181 83 A CA 1.477 53.432 52.037 -0.137 0.000 0.623 83 A CB -1.685 17.258 19.000 -0.095 0.000 0.818 83 A HN 0.141 nan 8.150 nan 0.000 0.443 84 L N -0.507 120.569 121.223 -0.245 0.000 2.046 84 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 84 L C 2.429 179.210 176.870 -0.148 0.000 1.077 84 L CA 1.795 56.499 54.840 -0.227 0.000 0.747 84 L CB -0.510 41.337 42.059 -0.353 0.000 0.896 84 L HN 0.217 nan 8.230 nan 0.000 0.432 85 R N -0.560 119.747 120.500 -0.321 0.000 2.075 85 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 85 R C 2.238 178.457 176.300 -0.135 0.000 1.126 85 R CA 1.350 57.297 56.100 -0.254 0.000 0.963 85 R CB -0.738 29.282 30.300 -0.467 0.000 0.858 85 R HN 0.516 nan 8.270 nan 0.000 0.435 86 Q N -0.033 119.684 119.800 -0.139 0.000 2.226 86 Q HA -0.015 4.325 4.340 -0.000 0.000 0.204 86 Q C 1.720 177.692 176.000 -0.048 0.000 0.975 86 Q CA 1.678 57.432 55.803 -0.082 0.000 0.866 86 Q CB -0.081 28.612 28.738 -0.076 0.000 0.915 86 Q HN 0.346 nan 8.270 nan 0.000 0.440 87 A N -0.711 122.085 122.820 -0.040 0.000 2.235 87 A HA 0.274 4.594 4.320 -0.000 0.000 0.208 87 A C 1.479 179.079 177.584 0.027 0.000 1.172 87 A CA 0.872 52.906 52.037 -0.005 0.000 0.786 87 A CB -0.385 18.611 19.000 -0.006 0.000 0.804 87 A HN 0.456 nan 8.150 nan 0.000 0.479 88 G N -2.859 105.956 108.800 0.024 0.000 2.159 88 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.227 88 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.227 88 G C -0.090 174.856 174.900 0.077 0.000 0.986 88 G CA 0.003 45.121 45.100 0.029 0.000 0.651 88 G HN 0.712 nan 8.290 nan 0.000 0.523 89 W N 2.133 123.379 121.300 -0.090 0.000 2.308 89 W HA 0.638 5.298 4.660 -0.000 0.000 0.324 89 W C 0.565 177.031 176.519 -0.089 0.000 1.387 89 W CA -0.138 57.163 57.345 -0.074 0.000 1.250 89 W CB 0.754 30.172 29.460 -0.071 0.000 1.257 89 W HN -0.097 nan 8.180 nan 0.000 0.554 90 K N 5.146 125.174 120.400 -0.621 0.000 2.537 90 K HA 0.254 4.574 4.320 -0.000 0.000 0.206 90 K C 0.575 176.561 176.600 -1.022 0.000 1.041 90 K CA -0.120 55.778 56.287 -0.649 0.000 1.090 90 K CB 0.455 32.736 32.500 -0.365 0.000 0.833 90 K HN 0.599 nan 8.250 nan 0.000 0.493 91 G N -0.122 107.483 108.800 -1.991 0.000 2.580 91 G HA2 0.252 4.212 3.960 -0.000 0.000 0.278 91 G HA3 0.252 4.212 3.960 -0.000 0.000 0.278 91 G C -0.827 173.399 174.900 -1.124 0.000 1.212 91 G CA -0.377 43.791 45.100 -1.552 0.000 0.939 91 G HN 0.066 nan 8.290 nan 0.000 0.513 92 Y N -0.458 119.700 120.300 -0.236 0.000 2.359 92 Y HA 0.245 4.795 4.550 0.000 0.000 0.334 92 Y C 0.125 176.278 175.900 0.421 0.000 1.058 92 Y CA -0.333 57.837 58.100 0.117 0.000 1.244 92 Y CB 1.084 39.617 38.460 0.122 0.000 1.187 92 Y HN 0.452 nan 8.280 nan 0.000 0.510 93 W N 7.233 128.809 121.300 0.461 0.000 2.278 93 W HA 0.530 5.190 4.660 0.000 0.000 0.317 93 W C -1.754 174.974 176.519 0.348 0.000 1.030 93 W CA -1.140 56.490 57.345 0.474 0.000 1.334 93 W CB 0.622 30.426 29.460 0.572 0.000 1.215 93 W HN 0.481 nan 8.180 nan 0.000 0.405 94 I N 6.076 126.688 120.570 0.070 0.000 2.328 94 I HA 0.128 4.298 4.170 -0.000 0.000 0.287 94 I C -0.128 175.907 176.117 -0.137 0.000 1.012 94 I CA -0.070 61.266 61.300 0.059 0.000 1.195 94 I CB 1.221 39.231 38.000 0.016 0.000 1.350 94 I HN 0.171 nan 8.210 nan 0.000 0.464 95 D N 4.301 124.704 120.400 0.005 0.000 2.481 95 D HA 0.517 5.157 4.640 -0.000 0.000 0.244 95 D C 0.353 176.677 176.300 0.040 0.000 1.057 95 D CA -0.405 53.599 54.000 0.007 0.000 0.848 95 D CB 2.520 43.453 40.800 0.222 0.000 1.388 95 D HN 0.553 nan 8.370 nan 0.000 0.475 96 A N 2.339 125.170 122.820 0.019 0.000 2.095 96 A HA 0.453 4.773 4.320 -0.000 0.000 0.212 96 A C 1.056 178.670 177.584 0.050 0.000 1.162 96 A CA 0.665 52.714 52.037 0.021 0.000 0.753 96 A CB -0.103 18.894 19.000 -0.005 0.000 0.840 96 A HN 0.566 nan 8.150 nan 0.000 0.468 97 A N 0.270 123.138 122.820 0.081 0.000 2.386 97 A HA 0.439 4.759 4.320 -0.000 0.000 0.248 97 A C 1.480 179.116 177.584 0.087 0.000 1.082 97 A CA 0.376 52.470 52.037 0.095 0.000 0.789 97 A CB 0.176 19.256 19.000 0.134 0.000 1.025 97 A HN 0.909 nan 8.150 nan 0.000 0.490 98 S N 0.730 116.479 115.700 0.080 0.000 2.522 98 S HA -0.088 4.382 4.470 -0.000 0.000 0.227 98 S C 1.512 176.151 174.600 0.066 0.000 0.986 98 S CA 1.191 59.435 58.200 0.074 0.000 0.929 98 S CB -0.783 62.470 63.200 0.089 0.000 0.769 98 S HN 0.768 nan 8.310 nan 0.000 0.529 99 T N 3.812 118.403 114.554 0.062 0.000 2.564 99 T HA -0.179 4.171 4.350 -0.000 0.000 0.264 99 T C 1.445 176.138 174.700 -0.012 0.000 1.100 99 T CA 2.164 64.282 62.100 0.031 0.000 1.171 99 T CB -0.721 68.160 68.868 0.023 0.000 0.863 99 T HN 0.441 nan 8.240 nan 0.000 0.430 100 L N 0.177 121.363 121.223 -0.061 0.000 2.591 100 L HA 0.236 4.576 4.340 -0.000 0.000 0.228 100 L C 2.592 179.427 176.870 -0.058 0.000 1.133 100 L CA 0.034 54.802 54.840 -0.120 0.000 0.880 100 L CB -0.411 41.474 42.059 -0.291 0.000 1.033 100 L HN 0.132 nan 8.230 nan 0.000 0.450 101 R N 0.599 121.092 120.500 -0.011 0.000 2.134 101 R HA -0.196 4.144 4.340 -0.000 0.000 0.248 101 R C 1.621 177.912 176.300 -0.014 0.000 1.143 101 R CA 1.668 57.765 56.100 -0.005 0.000 0.957 101 R CB -0.019 30.288 30.300 0.011 0.000 0.867 101 R HN 0.248 nan 8.270 nan 0.000 0.441 102 M N 0.810 120.416 119.600 0.010 0.000 2.453 102 M HA 0.075 4.555 4.480 -0.000 0.000 0.239 102 M C -0.146 176.159 176.300 0.009 0.000 1.151 102 M CA -0.081 55.229 55.300 0.016 0.000 0.989 102 M CB -0.443 32.202 32.600 0.076 0.000 1.548 102 M HN 0.051 nan 8.290 nan 0.000 0.479 103 D N 2.389 122.780 120.400 -0.015 0.000 2.424 103 D HA -0.021 4.619 4.640 -0.000 0.000 0.244 103 D C 0.938 177.222 176.300 -0.027 0.000 1.134 103 D CA 0.203 54.189 54.000 -0.023 0.000 0.881 103 D CB 1.425 42.191 40.800 -0.057 0.000 1.191 103 D HN 0.383 nan 8.370 nan 0.000 0.445 104 K N 2.454 122.846 120.400 -0.014 0.000 2.360 104 K HA -0.151 4.169 4.320 -0.000 0.000 0.201 104 K C 0.779 177.362 176.600 -0.029 0.000 1.046 104 K CA 1.220 57.497 56.287 -0.016 0.000 0.945 104 K CB 0.059 32.556 32.500 -0.005 0.000 0.750 104 K HN 0.406 nan 8.250 nan 0.000 0.464 105 E N 0.562 120.743 120.200 -0.033 0.000 2.463 105 E HA 0.186 4.536 4.350 -0.000 0.000 0.193 105 E C -0.327 176.215 176.600 -0.097 0.000 1.041 105 E CA -0.322 56.051 56.400 -0.045 0.000 0.879 105 E CB 0.897 30.593 29.700 -0.008 0.000 0.997 105 E HN 0.412 nan 8.360 nan 0.000 0.478 106 A N 1.108 123.861 122.820 -0.112 0.000 2.355 106 A HA 0.673 4.993 4.320 -0.000 0.000 0.324 106 A C -0.682 176.795 177.584 -0.178 0.000 1.117 106 A CA -0.582 51.352 52.037 -0.173 0.000 0.785 106 A CB 0.963 19.890 19.000 -0.122 0.000 1.254 106 A HN 0.112 nan 8.150 nan 0.000 0.453 107 I N 1.970 122.377 120.570 -0.271 0.000 2.433 107 I HA 0.317 4.487 4.170 -0.000 0.000 0.292 107 I C -0.616 175.484 176.117 -0.029 0.000 1.001 107 I CA -0.491 60.721 61.300 -0.147 0.000 1.119 107 I CB 1.799 39.701 38.000 -0.164 0.000 1.289 107 I HN 0.521 nan 8.210 nan 0.000 0.438 108 I N 4.762 125.340 120.570 0.012 0.000 2.396 108 I HA 0.085 4.255 4.170 -0.000 0.000 0.289 108 I C 0.577 176.747 176.117 0.088 0.000 1.056 108 I CA 0.181 61.504 61.300 0.038 0.000 1.365 108 I CB 1.090 39.089 38.000 -0.001 0.000 1.407 108 I HN 0.499 nan 8.210 nan 0.000 0.509 109 T N 7.707 122.338 114.554 0.128 0.000 2.744 109 T HA 0.489 4.839 4.350 -0.000 0.000 0.291 109 T C -0.526 174.227 174.700 0.089 0.000 0.957 109 T CA -0.346 61.839 62.100 0.141 0.000 1.002 109 T CB 0.284 69.266 68.868 0.189 0.000 0.919 109 T HN 0.391 nan 8.240 nan 0.000 0.468 110 L N 7.022 128.291 121.223 0.076 0.000 2.435 110 L HA 0.320 4.660 4.340 -0.000 0.000 0.259 110 L C 1.219 178.123 176.870 0.056 0.000 1.563 110 L CA -0.220 54.659 54.840 0.066 0.000 0.789 110 L CB 0.579 42.651 42.059 0.021 0.000 0.989 110 L HN 0.823 nan 8.230 nan 0.000 0.522 111 D N 0.288 120.730 120.400 0.070 0.000 2.203 111 D HA -0.212 4.428 4.640 -0.000 0.000 0.199 111 D C -1.205 175.131 176.300 0.060 0.000 0.997 111 D CA 1.243 55.279 54.000 0.060 0.000 0.863 111 D CB -0.658 40.170 40.800 0.047 0.000 0.928 111 D HN 0.378 nan 8.370 nan 0.000 0.458 112 P HA -0.042 nan 4.420 nan 0.000 0.222 112 P C 1.666 179.021 177.300 0.091 0.000 1.147 112 P CA 0.579 63.712 63.100 0.056 0.000 0.790 112 P CB 0.208 31.898 31.700 -0.017 0.000 0.780 113 V N -0.291 119.684 119.914 0.102 0.000 2.788 113 V HA 0.050 4.170 4.120 -0.000 0.000 0.241 113 V C 1.153 177.303 176.094 0.094 0.000 1.083 113 V CA 1.418 63.807 62.300 0.149 0.000 1.103 113 V CB -0.587 31.267 31.823 0.051 0.000 0.800 113 V HN 0.231 nan 8.190 nan 0.000 0.476 114 N N 0.515 119.253 118.700 0.062 0.000 2.553 114 N HA 0.102 4.842 4.740 -0.000 0.000 0.298 114 N C 0.825 176.374 175.510 0.064 0.000 1.596 114 N CA -0.252 52.834 53.050 0.059 0.000 0.910 114 N CB 0.392 38.909 38.487 0.050 0.000 1.336 114 N HN 0.273 nan 8.380 nan 0.000 0.497 115 L N 0.821 122.077 121.223 0.055 0.000 2.043 115 L HA -0.069 4.271 4.340 -0.000 0.000 0.212 115 L C 2.231 179.135 176.870 0.058 0.000 1.075 115 L CA 1.931 56.799 54.840 0.047 0.000 0.752 115 L CB -0.436 41.645 42.059 0.037 0.000 0.891 115 L HN 0.337 nan 8.230 nan 0.000 0.432 116 K N -0.891 119.547 120.400 0.063 0.000 2.032 116 K HA -0.293 4.027 4.320 -0.000 0.000 0.209 116 K C 2.281 178.946 176.600 0.109 0.000 1.048 116 K CA 2.110 58.444 56.287 0.079 0.000 0.927 116 K CB -0.306 32.228 32.500 0.057 0.000 0.712 116 K HN 0.599 nan 8.250 nan 0.000 0.441 117 Q N 0.520 120.377 119.800 0.094 0.000 2.084 117 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 117 Q C 2.088 178.200 176.000 0.187 0.000 0.978 117 Q CA 1.766 57.642 55.803 0.122 0.000 0.844 117 Q CB -0.081 28.707 28.738 0.084 0.000 0.898 117 Q HN 0.429 nan 8.270 nan 0.000 0.426 118 I N 0.299 120.968 120.570 0.165 0.000 2.179 118 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 118 I C 2.070 178.256 176.117 0.115 0.000 1.088 118 I CA 0.601 62.028 61.300 0.212 0.000 1.357 118 I CB -0.254 37.804 38.000 0.097 0.000 1.051 118 I HN 0.254 nan 8.210 nan 0.000 0.409 119 L N 0.243 121.482 121.223 0.026 0.000 2.017 119 L HA -0.264 4.076 4.340 -0.000 0.000 0.208 119 L C 2.633 179.422 176.870 -0.135 0.000 1.073 119 L CA 1.995 56.754 54.840 -0.135 0.000 0.745 119 L CB -1.300 40.757 42.059 -0.004 0.000 0.894 119 L HN 0.286 nan 8.230 nan 0.000 0.432 120 H N -0.832 118.278 119.070 0.066 0.000 2.319 120 H HA -0.132 4.424 4.556 -0.000 0.000 0.299 120 H C 2.092 177.568 175.328 0.248 0.000 1.092 120 H CA 1.889 58.068 56.048 0.218 0.000 1.302 120 H CB -0.427 29.420 29.762 0.142 0.000 1.373 120 H HN 0.298 nan 8.280 nan 0.000 0.497 121 G N 0.457 109.379 108.800 0.204 0.000 2.446 121 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 121 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 121 G C 1.845 176.868 174.900 0.205 0.000 1.168 121 G CA 1.085 46.298 45.100 0.187 0.000 0.771 121 G HN 0.484 nan 8.290 nan 0.000 0.551 122 I N 0.341 121.016 120.570 0.176 0.000 2.208 122 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 122 I C 2.385 178.530 176.117 0.047 0.000 1.097 122 I CA 1.002 62.379 61.300 0.128 0.000 1.363 122 I CB -0.321 37.604 38.000 -0.125 0.000 1.051 122 I HN 0.179 nan 8.210 nan 0.000 0.413 123 H N -0.460 118.640 119.070 0.050 0.000 2.545 123 H HA -0.014 4.542 4.556 -0.000 0.000 0.282 123 H C 1.203 176.341 175.328 -0.317 0.000 1.020 123 H CA 0.998 56.978 56.048 -0.113 0.000 1.243 123 H CB -0.250 29.428 29.762 -0.140 0.000 1.377 123 H HN 0.479 nan 8.280 nan 0.000 0.581 124 H N -1.228 117.829 119.070 -0.022 0.000 2.528 124 H HA 0.257 4.813 4.556 -0.000 0.000 0.282 124 H C 1.067 176.374 175.328 -0.036 0.000 1.097 124 H CA 0.566 56.569 56.048 -0.076 0.000 1.121 124 H CB 1.082 30.704 29.762 -0.233 0.000 1.590 124 H HN 0.507 nan 8.280 nan 0.000 0.553 125 G N 1.242 110.079 108.800 0.063 0.000 2.179 125 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.220 125 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.220 125 G C 0.456 175.360 174.900 0.008 0.000 0.990 125 G CA 0.170 45.281 45.100 0.019 0.000 0.646 125 G HN 0.295 nan 8.290 nan 0.000 0.517 126 T N 1.708 116.297 114.554 0.058 0.000 2.853 126 T HA 0.438 4.788 4.350 -0.000 0.000 0.298 126 T C 1.039 175.781 174.700 0.069 0.000 0.978 126 T CA 0.343 62.436 62.100 -0.013 0.000 1.152 126 T CB 1.123 69.937 68.868 -0.089 0.000 0.914 126 T HN 0.136 nan 8.240 nan 0.000 0.539 127 K N 1.769 122.140 120.400 -0.048 0.000 2.438 127 K HA 0.171 4.491 4.320 -0.000 0.000 0.206 127 K C 0.144 176.858 176.600 0.189 0.000 1.081 127 K CA 0.038 56.313 56.287 -0.019 0.000 1.053 127 K CB 1.074 33.400 32.500 -0.290 0.000 0.908 127 K HN 0.440 nan 8.250 nan 0.000 0.556 128 T N 1.526 116.051 114.554 -0.049 0.000 2.809 128 T HA 0.547 4.897 4.350 -0.000 0.000 0.284 128 T C -0.950 173.541 174.700 -0.348 0.000 0.992 128 T CA -0.390 61.744 62.100 0.057 0.000 0.957 128 T CB 0.513 69.422 68.868 0.069 0.000 0.942 128 T HN -0.159 nan 8.240 nan 0.000 0.439 129 F N 2.182 122.254 119.950 0.204 0.000 2.477 129 F HA 0.603 5.130 4.527 0.000 0.000 0.335 129 F C -0.173 175.690 175.800 0.106 0.000 1.130 129 F CA -1.055 57.020 58.000 0.125 0.000 0.948 129 F CB 1.583 40.641 39.000 0.097 0.000 1.154 129 F HN 0.194 nan 8.300 nan 0.000 0.439 130 V N 2.193 122.208 119.914 0.168 0.000 2.555 130 V HA 0.703 4.823 4.120 -0.000 0.000 0.302 130 V C 0.436 176.586 176.094 0.093 0.000 1.038 130 V CA -1.076 61.295 62.300 0.119 0.000 0.887 130 V CB 1.657 33.520 31.823 0.068 0.000 0.991 130 V HN 0.893 nan 8.190 nan 0.000 0.434 131 G N 2.487 111.331 108.800 0.073 0.000 2.442 131 G HA2 0.490 4.450 3.960 -0.000 0.000 0.249 131 G HA3 0.490 4.450 3.960 -0.000 0.000 0.249 131 G C 0.454 175.377 174.900 0.039 0.000 1.263 131 G CA 0.270 45.401 45.100 0.052 0.000 0.846 131 G HN 1.064 nan 8.290 nan 0.000 0.555 132 G N 0.527 109.345 108.800 0.029 0.000 2.616 132 G HA2 0.302 4.262 3.960 -0.000 0.000 0.268 132 G HA3 0.302 4.262 3.960 -0.000 0.000 0.268 132 G C 0.316 175.226 174.900 0.015 0.000 1.213 132 G CA -0.608 44.498 45.100 0.009 0.000 0.926 132 G HN 0.763 nan 8.290 nan 0.000 0.523 133 N N -1.125 117.578 118.700 0.005 0.000 2.412 133 N HA -0.049 4.691 4.740 -0.000 0.000 0.254 133 N C 1.853 177.387 175.510 0.040 0.000 1.232 133 N CA 0.326 53.393 53.050 0.028 0.000 0.880 133 N CB 0.551 39.048 38.487 0.017 0.000 1.076 133 N HN 0.608 nan 8.380 nan 0.000 0.458 134 C N 1.418 120.758 119.300 0.067 0.000 2.391 134 C HA -0.204 4.256 4.460 -0.000 0.000 0.276 134 C C 2.526 177.579 174.990 0.106 0.000 1.217 134 C CA 1.581 60.642 59.018 0.071 0.000 1.766 134 C CB -2.006 25.761 27.740 0.046 0.000 2.046 134 C HN 0.856 nan 8.230 nan 0.000 0.475 135 T N -0.105 114.541 114.554 0.153 0.000 2.788 135 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 135 T C 1.653 176.368 174.700 0.025 0.000 1.044 135 T CA 1.911 64.085 62.100 0.124 0.000 1.139 135 T CB -0.897 68.014 68.868 0.072 0.000 0.867 135 T HN 0.464 nan 8.240 nan 0.000 0.454 136 V N 1.744 121.653 119.914 -0.009 0.000 2.270 136 V HA -0.156 3.964 4.120 -0.000 0.000 0.245 136 V C 3.126 179.178 176.094 -0.071 0.000 1.043 136 V CA 2.104 64.365 62.300 -0.065 0.000 1.014 136 V CB -1.054 30.719 31.823 -0.084 0.000 0.645 136 V HN 0.527 nan 8.190 nan 0.000 0.447 137 S N 0.196 115.877 115.700 -0.032 0.000 2.359 137 S HA -0.163 4.307 4.470 -0.000 0.000 0.224 137 S C 1.915 176.485 174.600 -0.049 0.000 1.035 137 S CA 1.697 59.881 58.200 -0.027 0.000 1.018 137 S CB -0.430 62.793 63.200 0.038 0.000 0.876 137 S HN 0.456 nan 8.310 nan 0.000 0.448 138 L N 0.871 122.087 121.223 -0.012 0.000 2.083 138 L HA -0.082 4.258 4.340 -0.000 0.000 0.209 138 L C 2.691 179.525 176.870 -0.059 0.000 1.083 138 L CA 0.967 55.795 54.840 -0.019 0.000 0.752 138 L CB -0.483 41.596 42.059 0.033 0.000 0.899 138 L HN 0.368 nan 8.230 nan 0.000 0.433 139 M N 0.188 119.749 119.600 -0.064 0.000 2.132 139 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 139 M C 2.206 178.433 176.300 -0.122 0.000 1.065 139 M CA 1.920 57.172 55.300 -0.081 0.000 1.122 139 M CB -0.417 32.135 32.600 -0.081 0.000 1.365 139 M HN 0.218 nan 8.290 nan 0.000 0.411 140 L N -0.347 120.772 121.223 -0.174 0.000 2.217 140 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 140 L C 2.466 179.214 176.870 -0.202 0.000 1.107 140 L CA 0.575 55.279 54.840 -0.225 0.000 0.783 140 L CB -0.567 41.346 42.059 -0.243 0.000 0.919 140 L HN 0.273 nan 8.230 nan 0.000 0.442 141 M N -0.676 118.808 119.600 -0.192 0.000 2.296 141 M HA -0.097 4.383 4.480 -0.000 0.000 0.265 141 M C 2.354 178.568 176.300 -0.144 0.000 1.064 141 M CA 1.526 56.688 55.300 -0.229 0.000 1.109 141 M CB -1.014 31.354 32.600 -0.386 0.000 1.396 141 M HN 0.278 nan 8.290 nan 0.000 0.430 142 A N -0.596 122.157 122.820 -0.112 0.000 1.943 142 A HA 0.110 4.430 4.320 -0.000 0.000 0.213 142 A C 1.881 179.427 177.584 -0.063 0.000 1.181 142 A CA 0.566 52.565 52.037 -0.063 0.000 0.653 142 A CB -0.193 18.780 19.000 -0.045 0.000 0.833 142 A HN 0.455 nan 8.150 nan 0.000 0.451 143 L N -0.541 120.644 121.223 -0.064 0.000 2.769 143 L HA 0.209 4.549 4.340 -0.000 0.000 0.240 143 L C 2.188 179.027 176.870 -0.051 0.000 1.163 143 L CA 0.261 55.096 54.840 -0.008 0.000 0.962 143 L CB -0.023 42.118 42.059 0.137 0.000 1.258 143 L HN 0.421 nan 8.230 nan 0.000 0.513 144 G N 0.870 109.475 108.800 -0.325 0.000 2.469 144 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 144 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 144 G C 1.549 176.103 174.900 -0.578 0.000 1.136 144 G CA 0.953 45.648 45.100 -0.675 0.000 0.759 144 G HN 0.485 nan 8.290 nan 0.000 0.562 145 G N 0.560 109.109 108.800 -0.418 0.000 2.450 145 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.220 145 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.220 145 G C 1.757 176.637 174.900 -0.033 0.000 1.130 145 G CA 0.818 45.893 45.100 -0.042 0.000 0.760 145 G HN 0.455 nan 8.290 nan 0.000 0.557 146 L N -1.498 119.682 121.223 -0.073 0.000 2.049 146 L HA 0.073 4.413 4.340 -0.000 0.000 0.203 146 L C 2.607 179.378 176.870 -0.165 0.000 1.074 146 L CA 0.674 55.433 54.840 -0.135 0.000 0.749 146 L CB -0.496 41.434 42.059 -0.214 0.000 0.907 146 L HN 0.130 nan 8.230 nan 0.000 0.439 147 Y N 0.549 120.784 120.300 -0.108 0.000 2.224 147 Y HA -0.283 4.267 4.550 -0.000 0.000 0.289 147 Y C 2.708 178.574 175.900 -0.057 0.000 1.146 147 Y CA 1.708 59.756 58.100 -0.086 0.000 1.182 147 Y CB -0.235 38.167 38.460 -0.098 0.000 0.983 147 Y HN 0.283 nan 8.280 nan 0.000 0.524 148 E N 0.841 121.098 120.200 0.096 0.000 2.153 148 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 148 E C 1.514 178.141 176.600 0.045 0.000 0.988 148 E CA 1.077 57.531 56.400 0.089 0.000 0.811 148 E CB -0.058 29.730 29.700 0.147 0.000 0.746 148 E HN 0.419 nan 8.360 nan 0.000 0.466 149 R N -0.641 119.864 120.500 0.009 0.000 2.334 149 R HA 0.136 4.476 4.340 -0.000 0.000 0.220 149 R C 0.935 177.210 176.300 -0.042 0.000 0.917 149 R CA 0.420 56.510 56.100 -0.016 0.000 1.073 149 R CB 0.491 30.774 30.300 -0.028 0.000 1.056 149 R HN 0.288 nan 8.270 nan 0.000 0.506 150 G N 1.542 110.314 108.800 -0.046 0.000 2.283 150 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.280 150 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.280 150 G C 0.538 175.369 174.900 -0.115 0.000 1.029 150 G CA 0.169 45.231 45.100 -0.064 0.000 0.840 150 G HN 0.348 nan 8.290 nan 0.000 0.505 151 L N -0.802 120.322 121.223 -0.164 0.000 2.558 151 L HA 0.180 4.520 4.340 -0.000 0.000 0.225 151 L C 0.993 177.698 176.870 -0.275 0.000 1.128 151 L CA 0.051 54.776 54.840 -0.192 0.000 0.868 151 L CB 0.331 42.286 42.059 -0.174 0.000 1.006 151 L HN 0.167 nan 8.230 nan 0.000 0.454 152 V N 0.218 119.915 119.914 -0.362 0.000 2.406 152 V HA 0.052 4.172 4.120 -0.000 0.000 0.272 152 V C 1.119 177.040 176.094 -0.289 0.000 1.043 152 V CA -0.107 61.931 62.300 -0.437 0.000 0.915 152 V CB 1.626 32.983 31.823 -0.777 0.000 0.988 152 V HN 0.221 nan 8.190 nan 0.000 0.466 153 E N 5.290 125.298 120.200 -0.320 0.000 2.060 153 E HA 0.043 4.393 4.350 -0.000 0.000 0.189 153 E C 0.081 176.660 176.600 -0.035 0.000 0.974 153 E CA 0.782 57.057 56.400 -0.208 0.000 0.808 153 E CB 0.482 29.990 29.700 -0.320 0.000 0.768 153 E HN 0.788 nan 8.360 nan 0.000 0.453 154 W N -0.957 120.270 121.300 -0.121 0.000 3.005 154 W HA 0.517 5.177 4.660 -0.000 0.000 0.343 154 W C -1.446 175.035 176.519 -0.062 0.000 1.243 154 W CA -1.016 56.289 57.345 -0.066 0.000 1.186 154 W CB 0.493 29.922 29.460 -0.051 0.000 1.453 154 W HN -0.176 nan 8.180 nan 0.000 0.575 155 M N 2.979 122.898 119.600 0.531 0.000 2.322 155 M HA 0.367 4.847 4.480 -0.000 0.000 0.286 155 M C -1.635 174.897 176.300 0.386 0.000 1.111 155 M CA -0.162 55.380 55.300 0.404 0.000 0.941 155 M CB 2.508 35.248 32.600 0.233 0.000 1.671 155 M HN 0.428 nan 8.290 nan 0.000 0.470 156 S N 3.221 119.151 115.700 0.384 0.000 2.438 156 S HA 0.834 5.304 4.470 -0.000 0.000 0.316 156 S C -0.825 173.868 174.600 0.155 0.000 1.084 156 S CA -0.423 57.906 58.200 0.215 0.000 1.107 156 S CB 0.852 64.184 63.200 0.219 0.000 0.981 156 S HN 0.731 nan 8.310 nan 0.000 0.466 157 A N 6.508 129.383 122.820 0.091 0.000 2.273 157 A HA 0.726 5.046 4.320 -0.000 0.000 0.315 157 A C -0.443 177.163 177.584 0.037 0.000 1.256 157 A CA -0.718 51.360 52.037 0.067 0.000 0.851 157 A CB 0.534 19.558 19.000 0.040 0.000 1.172 157 A HN 0.735 nan 8.150 nan 0.000 0.508 158 M N 3.339 122.977 119.600 0.063 0.000 2.101 158 M HA 0.325 4.805 4.480 -0.000 0.000 0.340 158 M C 0.436 176.759 176.300 0.037 0.000 1.057 158 M CA -0.273 55.037 55.300 0.017 0.000 0.984 158 M CB 0.628 33.253 32.600 0.042 0.000 1.560 158 M HN 0.822 nan 8.290 nan 0.000 0.435 159 T N 0.199 114.716 114.554 -0.061 0.000 2.944 159 T HA 0.711 5.061 4.350 -0.000 0.000 0.284 159 T C -0.885 173.735 174.700 -0.133 0.000 1.010 159 T CA -0.398 61.703 62.100 0.002 0.000 1.025 159 T CB 1.242 70.075 68.868 -0.058 0.000 1.079 159 T HN 0.458 nan 8.240 nan 0.000 0.516 160 Y N 0.475 120.744 120.300 -0.052 0.000 2.681 160 Y HA 0.386 4.936 4.550 -0.000 0.000 0.347 160 Y C 0.244 176.111 175.900 -0.054 0.000 1.029 160 Y CA -0.995 57.102 58.100 -0.005 0.000 1.279 160 Y CB 0.899 39.410 38.460 0.085 0.000 1.096 160 Y HN 0.631 nan 8.280 nan 0.000 0.580 161 Q N 1.801 121.573 119.800 -0.046 0.000 2.243 161 Q HA 0.762 5.102 4.340 -0.000 0.000 0.252 161 Q C -0.072 175.975 176.000 0.079 0.000 0.909 161 Q CA -0.891 54.770 55.803 -0.238 0.000 0.922 161 Q CB 2.061 30.456 28.738 -0.572 0.000 1.215 161 Q HN 0.724 nan 8.270 nan 0.000 0.427 162 A N 1.416 124.451 122.820 0.358 0.000 2.366 162 A HA 0.441 4.761 4.320 -0.000 0.000 0.249 162 A C 0.994 178.761 177.584 0.304 0.000 1.084 162 A CA 0.345 52.569 52.037 0.313 0.000 0.794 162 A CB 0.338 19.510 19.000 0.286 0.000 1.034 162 A HN 0.944 nan 8.150 nan 0.000 0.491 163 A N 0.769 123.743 122.820 0.256 0.000 1.972 163 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 163 A C 2.303 180.045 177.584 0.263 0.000 1.169 163 A CA 2.234 54.484 52.037 0.356 0.000 0.635 163 A CB -1.105 18.128 19.000 0.387 0.000 0.810 163 A HN 1.635 nan 8.150 nan 0.000 0.446 164 S N -0.380 115.429 115.700 0.181 0.000 2.442 164 S HA -0.021 4.449 4.470 -0.000 0.000 0.236 164 S C 1.921 176.584 174.600 0.105 0.000 1.007 164 S CA 1.152 59.417 58.200 0.107 0.000 0.965 164 S CB -1.062 62.172 63.200 0.055 0.000 0.773 164 S HN 0.684 nan 8.310 nan 0.000 0.504 165 G N 1.225 110.134 108.800 0.183 0.000 2.448 165 G HA2 0.097 4.057 3.960 -0.000 0.000 0.219 165 G HA3 0.097 4.057 3.960 -0.000 0.000 0.219 165 G C 1.441 176.429 174.900 0.146 0.000 1.127 165 G CA 0.639 45.858 45.100 0.198 0.000 0.766 165 G HN 0.788 nan 8.290 nan 0.000 0.552 166 A N -0.774 122.128 122.820 0.137 0.000 2.132 166 A HA 0.578 4.898 4.320 -0.000 0.000 0.213 166 A C 1.266 178.849 177.584 -0.002 0.000 1.154 166 A CA 1.377 53.450 52.037 0.061 0.000 0.753 166 A CB -0.091 18.924 19.000 0.025 0.000 0.826 166 A HN 1.677 nan 8.150 nan 0.000 0.469 167 G N -3.245 105.563 108.800 0.013 0.000 2.357 167 G HA2 0.416 4.376 3.960 -0.000 0.000 0.643 167 G HA3 0.416 4.376 3.960 -0.000 0.000 0.643 167 G C 0.591 175.483 174.900 -0.012 0.000 1.358 167 G CA -0.133 44.961 45.100 -0.011 0.000 0.986 167 G HN 1.054 nan 8.290 nan 0.000 0.620 168 A N -0.503 122.308 122.820 -0.015 0.000 1.908 168 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 168 A C 2.275 179.849 177.584 -0.017 0.000 1.181 168 A CA 2.534 54.566 52.037 -0.009 0.000 0.627 168 A CB -0.461 18.531 19.000 -0.014 0.000 0.818 168 A HN 0.689 nan 8.150 nan 0.000 0.445 169 Q N 0.005 119.779 119.800 -0.043 0.000 2.170 169 Q HA -0.162 4.178 4.340 -0.000 0.000 0.203 169 Q C 1.660 177.608 176.000 -0.086 0.000 0.976 169 Q CA 1.764 57.531 55.803 -0.059 0.000 0.858 169 Q CB -0.606 28.087 28.738 -0.075 0.000 0.907 169 Q HN 0.796 nan 8.270 nan 0.000 0.433 170 N N 0.022 118.639 118.700 -0.138 0.000 2.188 170 N HA -0.049 4.691 4.740 -0.000 0.000 0.184 170 N C 1.734 177.303 175.510 0.099 0.000 1.018 170 N CA 1.067 53.973 53.050 -0.239 0.000 0.858 170 N CB -0.130 38.096 38.487 -0.435 0.000 0.989 170 N HN 0.216 nan 8.380 nan 0.000 0.426 171 M N 0.114 119.770 119.600 0.094 0.000 2.132 171 M HA -0.066 4.414 4.480 -0.000 0.000 0.263 171 M C 1.910 178.270 176.300 0.099 0.000 1.065 171 M CA 1.383 56.760 55.300 0.128 0.000 1.122 171 M CB -0.169 32.480 32.600 0.082 0.000 1.365 171 M HN 0.071 nan 8.290 nan 0.000 0.411 172 R N 0.139 120.672 120.500 0.053 0.000 2.081 172 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 172 R C 2.139 178.463 176.300 0.041 0.000 1.131 172 R CA 1.620 57.740 56.100 0.034 0.000 0.960 172 R CB -0.452 29.853 30.300 0.008 0.000 0.856 172 R HN 0.486 nan 8.270 nan 0.000 0.436 173 E N 0.916 121.153 120.200 0.061 0.000 2.110 173 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 173 E C 1.920 178.592 176.600 0.119 0.000 0.988 173 E CA 0.796 57.242 56.400 0.076 0.000 0.804 173 E CB 0.020 29.784 29.700 0.106 0.000 0.745 173 E HN 0.137 nan 8.360 nan 0.000 0.458 174 L N 1.027 122.379 121.223 0.214 0.000 2.017 174 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 174 L C 2.065 178.973 176.870 0.065 0.000 1.073 174 L CA 1.735 56.662 54.840 0.145 0.000 0.745 174 L CB -0.404 41.753 42.059 0.163 0.000 0.894 174 L HN 0.240 nan 8.230 nan 0.000 0.432 175 I N -1.021 119.585 120.570 0.060 0.000 2.286 175 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 175 I C 2.358 178.480 176.117 0.008 0.000 1.115 175 I CA 1.260 62.581 61.300 0.036 0.000 1.392 175 I CB -0.523 37.499 38.000 0.035 0.000 1.065 175 I HN 0.212 nan 8.210 nan 0.000 0.418 176 S N 0.225 115.917 115.700 -0.014 0.000 2.382 176 S HA -0.206 4.264 4.470 -0.000 0.000 0.228 176 S C 1.971 176.501 174.600 -0.117 0.000 1.027 176 S CA 1.206 59.372 58.200 -0.056 0.000 0.991 176 S CB -0.246 62.910 63.200 -0.072 0.000 0.823 176 S HN 0.485 nan 8.310 nan 0.000 0.469 177 Q N 0.456 120.157 119.800 -0.165 0.000 2.124 177 Q HA -0.005 4.335 4.340 -0.000 0.000 0.202 177 Q C 2.187 178.192 176.000 0.009 0.000 0.977 177 Q CA 1.110 56.739 55.803 -0.289 0.000 0.850 177 Q CB -0.299 28.301 28.738 -0.231 0.000 0.901 177 Q HN 0.548 nan 8.270 nan 0.000 0.429 178 M N -0.205 119.418 119.600 0.039 0.000 2.159 178 M HA -0.121 4.359 4.480 -0.000 0.000 0.263 178 M C 2.209 178.549 176.300 0.066 0.000 1.063 178 M CA 1.565 56.909 55.300 0.073 0.000 1.110 178 M CB -0.493 32.139 32.600 0.054 0.000 1.374 178 M HN 0.344 nan 8.290 nan 0.000 0.411 179 G N -0.258 108.562 108.800 0.034 0.000 2.402 179 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.216 179 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.216 179 G C 1.475 176.405 174.900 0.051 0.000 1.162 179 G CA 0.656 45.776 45.100 0.033 0.000 0.777 179 G HN 0.305 nan 8.290 nan 0.000 0.539 180 V N 1.175 121.119 119.914 0.051 0.000 2.343 180 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 180 V C 2.778 178.986 176.094 0.189 0.000 1.051 180 V CA 1.493 63.858 62.300 0.108 0.000 1.036 180 V CB -0.372 31.497 31.823 0.077 0.000 0.654 180 V HN 0.389 nan 8.190 nan 0.000 0.451 181 I N 0.417 121.128 120.570 0.236 0.000 2.179 181 I HA -0.260 3.909 4.170 -0.000 0.000 0.242 181 I C 2.578 178.755 176.117 0.101 0.000 1.088 181 I CA 1.922 63.333 61.300 0.184 0.000 1.357 181 I CB -0.558 37.547 38.000 0.175 0.000 1.051 181 I HN 0.433 nan 8.210 nan 0.000 0.409 182 N N 1.023 119.773 118.700 0.083 0.000 2.120 182 N HA -0.218 4.522 4.740 -0.000 0.000 0.188 182 N C 1.405 176.945 175.510 0.049 0.000 1.024 182 N CA 1.789 54.873 53.050 0.056 0.000 0.852 182 N CB -0.135 38.381 38.487 0.047 0.000 1.003 182 N HN 0.236 nan 8.380 nan 0.000 0.424 183 D N 0.876 121.309 120.400 0.054 0.000 2.158 183 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 183 D C 1.793 178.120 176.300 0.044 0.000 0.995 183 D CA 1.237 55.264 54.000 0.045 0.000 0.846 183 D CB -0.518 40.310 40.800 0.047 0.000 0.941 183 D HN 0.423 nan 8.370 nan 0.000 0.456 184 A N 0.193 123.046 122.820 0.055 0.000 2.024 184 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 184 A C 1.968 179.570 177.584 0.031 0.000 1.164 184 A CA 1.923 53.987 52.037 0.045 0.000 0.643 184 A CB -0.126 18.905 19.000 0.051 0.000 0.806 184 A HN 0.280 nan 8.150 nan 0.000 0.451 185 V N -4.795 115.137 119.914 0.030 0.000 3.276 185 V HA 0.289 4.409 4.120 -0.000 0.000 0.319 185 V C 1.394 177.500 176.094 0.021 0.000 1.476 185 V CA 0.708 63.021 62.300 0.022 0.000 1.097 185 V CB -0.554 31.280 31.823 0.018 0.000 0.988 185 V HN 0.270 nan 8.190 nan 0.000 0.473 186 S N 1.798 117.512 115.700 0.024 0.000 2.372 186 S HA -0.242 4.228 4.470 -0.000 0.000 0.227 186 S C 2.129 176.740 174.600 0.017 0.000 1.044 186 S CA 2.724 60.937 58.200 0.022 0.000 1.050 186 S CB -0.339 62.875 63.200 0.023 0.000 0.901 186 S HN 0.791 nan 8.310 nan 0.000 0.447 187 S N 1.368 117.078 115.700 0.016 0.000 2.370 187 S HA -0.124 4.346 4.470 -0.000 0.000 0.226 187 S C 1.849 176.456 174.600 0.012 0.000 1.033 187 S CA 1.521 59.730 58.200 0.013 0.000 1.011 187 S CB -0.359 62.849 63.200 0.013 0.000 0.852 187 S HN 0.851 nan 8.310 nan 0.000 0.457 188 E N 0.909 121.116 120.200 0.012 0.000 2.452 188 E HA 0.160 4.510 4.350 -0.000 0.000 0.197 188 E C 1.904 178.510 176.600 0.010 0.000 1.022 188 E CA -0.067 56.339 56.400 0.010 0.000 0.890 188 E CB -0.570 29.135 29.700 0.009 0.000 0.918 188 E HN 0.395 nan 8.360 nan 0.000 0.496 189 L N 1.146 122.376 121.223 0.012 0.000 2.021 189 L HA -0.213 4.127 4.340 -0.000 0.000 0.215 189 L C 2.340 179.217 176.870 0.011 0.000 1.074 189 L CA 2.043 56.891 54.840 0.013 0.000 0.760 189 L CB -0.325 41.744 42.059 0.016 0.000 0.889 189 L HN 0.247 nan 8.230 nan 0.000 0.433 190 A N -1.317 121.510 122.820 0.011 0.000 2.208 190 A HA -0.107 4.213 4.320 -0.000 0.000 0.209 190 A C 1.002 178.591 177.584 0.009 0.000 1.161 190 A CA 0.084 52.127 52.037 0.010 0.000 0.782 190 A CB -0.646 18.360 19.000 0.010 0.000 0.816 190 A HN 0.596 nan 8.150 nan 0.000 0.477 191 N N 1.127 119.832 118.700 0.008 0.000 2.439 191 N HA 0.161 4.901 4.740 -0.000 0.000 0.243 191 N C -1.657 173.857 175.510 0.006 0.000 1.088 191 N CA -1.621 51.433 53.050 0.007 0.000 0.940 191 N CB 1.176 39.667 38.487 0.007 0.000 1.180 191 N HN 0.053 nan 8.380 nan 0.000 0.505 192 P HA -0.102 nan 4.420 nan 0.000 0.225 192 P C 0.588 177.891 177.300 0.004 0.000 1.148 192 P CA 0.726 63.829 63.100 0.005 0.000 0.779 192 P CB 0.251 31.954 31.700 0.005 0.000 0.780 193 A N 0.161 122.984 122.820 0.004 0.000 2.178 193 A HA 0.111 4.431 4.320 -0.000 0.000 0.211 193 A C 1.329 178.915 177.584 0.004 0.000 1.157 193 A CA 0.241 52.280 52.037 0.004 0.000 0.780 193 A CB -0.746 18.257 19.000 0.004 0.000 0.828 193 A HN 0.378 nan 8.150 nan 0.000 0.476 194 S N -0.242 115.460 115.700 0.004 0.000 2.592 194 S HA 0.385 4.855 4.470 -0.000 0.000 0.271 194 S C 0.350 174.952 174.600 0.004 0.000 1.326 194 S CA 0.103 58.306 58.200 0.004 0.000 1.024 194 S CB 1.037 64.240 63.200 0.005 0.000 0.921 194 S HN 0.370 nan 8.310 nan 0.000 0.527 195 S N 1.208 116.910 115.700 0.003 0.000 2.498 195 S HA 0.092 4.562 4.470 -0.000 0.000 0.281 195 S C 0.946 175.548 174.600 0.002 0.000 1.265 195 S CA -0.750 57.451 58.200 0.002 0.000 1.071 195 S CB -0.507 62.694 63.200 0.001 0.000 0.894 195 S HN 0.708 nan 8.310 nan 0.000 0.491 196 I N 6.433 127.004 120.570 0.002 0.000 2.394 196 I HA -0.076 4.094 4.170 -0.000 0.000 0.251 196 I C 1.711 177.828 176.117 0.000 0.000 1.136 196 I CA 1.402 62.703 61.300 0.002 0.000 1.425 196 I CB -0.223 37.778 38.000 0.002 0.000 1.079 196 I HN 0.802 nan 8.210 nan 0.000 0.425 197 L N -0.226 120.996 121.223 -0.001 0.000 2.093 197 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 197 L C 2.045 178.913 176.870 -0.003 0.000 1.085 197 L CA 1.243 56.081 54.840 -0.002 0.000 0.755 197 L CB -0.887 41.171 42.059 -0.002 0.000 0.904 197 L HN 0.225 nan 8.230 nan 0.000 0.435 198 D N 0.296 120.695 120.400 -0.002 0.000 2.144 198 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 198 D C 2.289 178.588 176.300 -0.002 0.000 0.978 198 D CA 1.119 55.118 54.000 -0.002 0.000 0.833 198 D CB 0.071 40.871 40.800 0.000 0.000 0.961 198 D HN 0.311 nan 8.370 nan 0.000 0.470 199 I N 0.852 121.422 120.570 0.000 0.000 2.179 199 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 199 I C 2.162 178.278 176.117 -0.003 0.000 1.088 199 I CA 1.183 62.484 61.300 0.001 0.000 1.357 199 I CB -0.114 37.889 38.000 0.004 0.000 1.051 199 I HN -0.095 nan 8.210 nan 0.000 0.409 200 D N 1.138 121.535 120.400 -0.005 0.000 2.117 200 D HA -0.273 4.367 4.640 -0.000 0.000 0.197 200 D C 2.195 178.485 176.300 -0.017 0.000 0.987 200 D CA 1.515 55.509 54.000 -0.010 0.000 0.829 200 D CB -0.064 40.730 40.800 -0.009 0.000 0.961 200 D HN 0.141 nan 8.370 nan 0.000 0.460 201 K N 0.336 120.728 120.400 -0.014 0.000 2.032 201 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 201 K C 1.954 178.541 176.600 -0.021 0.000 1.048 201 K CA 1.321 57.597 56.287 -0.017 0.000 0.927 201 K CB -0.005 32.488 32.500 -0.012 0.000 0.712 201 K HN 0.071 nan 8.250 nan 0.000 0.441 202 K N 0.278 120.669 120.400 -0.015 0.000 2.097 202 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 202 K C 2.085 178.670 176.600 -0.024 0.000 1.050 202 K CA 1.249 57.528 56.287 -0.013 0.000 0.938 202 K CB -0.005 32.494 32.500 -0.001 0.000 0.718 202 K HN -0.002 nan 8.250 nan 0.000 0.442 203 V N 1.567 121.466 119.914 -0.026 0.000 2.343 203 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 203 V C 2.385 178.424 176.094 -0.091 0.000 1.051 203 V CA 2.061 64.337 62.300 -0.041 0.000 1.036 203 V CB -0.665 31.143 31.823 -0.025 0.000 0.654 203 V HN 0.350 nan 8.190 nan 0.000 0.451 204 A N -0.207 122.566 122.820 -0.078 0.000 1.902 204 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 204 A C 2.161 179.675 177.584 -0.116 0.000 1.181 204 A CA 1.944 53.923 52.037 -0.098 0.000 0.623 204 A CB -0.453 18.509 19.000 -0.063 0.000 0.818 204 A HN 0.652 nan 8.150 nan 0.000 0.443 205 E N -0.848 119.303 120.200 -0.082 0.000 2.072 205 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 205 E C 2.070 178.614 176.600 -0.092 0.000 0.985 205 E CA 1.531 57.890 56.400 -0.069 0.000 0.801 205 E CB -0.404 29.274 29.700 -0.036 0.000 0.750 205 E HN 0.580 nan 8.360 nan 0.000 0.452 206 T N 1.376 115.871 114.554 -0.098 0.000 2.708 206 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 206 T C 1.919 176.421 174.700 -0.329 0.000 1.037 206 T CA 1.282 63.329 62.100 -0.089 0.000 1.146 206 T CB -0.144 68.715 68.868 -0.015 0.000 0.865 206 T HN 0.124 nan 8.240 nan 0.000 0.435 207 M N 0.321 119.563 119.600 -0.598 0.000 2.213 207 M HA -0.013 4.467 4.480 -0.000 0.000 0.263 207 M C 2.341 178.256 176.300 -0.641 0.000 1.062 207 M CA 1.471 56.054 55.300 -1.195 0.000 1.105 207 M CB -0.246 31.901 32.600 -0.754 0.000 1.385 207 M HN 0.052 nan 8.290 nan 0.000 0.417 208 R N 0.152 120.473 120.500 -0.300 0.000 2.240 208 R HA 0.050 4.390 4.340 -0.000 0.000 0.203 208 R C 0.863 177.130 176.300 -0.055 0.000 1.011 208 R CA 0.256 56.275 56.100 -0.136 0.000 1.007 208 R CB -0.068 30.176 30.300 -0.093 0.000 0.911 208 R HN 0.355 nan 8.270 nan 0.000 0.468 209 S N -0.533 115.144 115.700 -0.038 0.000 2.568 209 S HA 0.081 4.551 4.470 -0.000 0.000 0.282 209 S C 1.427 176.077 174.600 0.082 0.000 1.338 209 S CA -0.322 57.897 58.200 0.031 0.000 1.045 209 S CB 1.571 64.802 63.200 0.053 0.000 0.873 209 S HN 0.266 nan 8.310 nan 0.000 0.516 210 G N 1.102 109.942 108.800 0.067 0.000 2.448 210 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.219 210 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.219 210 G C 1.464 176.422 174.900 0.097 0.000 1.127 210 G CA 0.727 45.871 45.100 0.074 0.000 0.766 210 G HN 1.060 nan 8.290 nan 0.000 0.552 211 S N -0.572 115.191 115.700 0.105 0.000 2.562 211 S HA 0.213 4.683 4.470 -0.000 0.000 0.221 211 S C 0.744 175.433 174.600 0.149 0.000 0.975 211 S CA -0.657 57.604 58.200 0.101 0.000 0.918 211 S CB -0.264 62.982 63.200 0.077 0.000 0.772 211 S HN 0.101 nan 8.310 nan 0.000 0.531 212 F N 5.407 125.371 119.950 0.023 0.000 2.608 212 F HA 0.261 4.788 4.527 -0.000 0.000 0.380 212 F C -2.125 173.698 175.800 0.038 0.000 1.083 212 F CA -2.586 55.431 58.000 0.029 0.000 1.266 212 F CB 0.351 39.367 39.000 0.028 0.000 1.076 212 F HN 0.061 nan 8.300 nan 0.000 0.574 213 P HA 0.052 nan 4.420 nan 0.000 0.268 213 P C -0.318 176.905 177.300 -0.130 0.000 1.282 213 P CA 0.070 63.044 63.100 -0.210 0.000 0.880 213 P CB 0.028 31.581 31.700 -0.244 0.000 0.971 214 T N -1.798 112.771 114.554 0.025 0.000 3.393 214 T HA 0.136 4.486 4.350 -0.000 0.000 0.298 214 T C 0.691 175.441 174.700 0.084 0.000 1.004 214 T CA -0.331 61.838 62.100 0.115 0.000 0.956 214 T CB -0.332 68.651 68.868 0.193 0.000 1.182 214 T HN -0.023 nan 8.240 nan 0.000 0.497 215 D N 2.213 122.631 120.400 0.030 0.000 2.149 215 D HA -0.093 4.547 4.640 -0.000 0.000 0.198 215 D C 1.799 178.086 176.300 -0.021 0.000 0.990 215 D CA 1.025 55.029 54.000 0.005 0.000 0.839 215 D CB 0.087 40.879 40.800 -0.014 0.000 0.948 215 D HN 0.465 nan 8.370 nan 0.000 0.460 216 N N -0.489 118.174 118.700 -0.062 0.000 2.278 216 N HA -0.013 4.727 4.740 -0.000 0.000 0.181 216 N C 1.736 177.116 175.510 -0.217 0.000 1.023 216 N CA 0.437 53.372 53.050 -0.192 0.000 0.862 216 N CB -0.271 38.010 38.487 -0.343 0.000 1.003 216 N HN 0.215 nan 8.380 nan 0.000 0.431 217 F N 0.427 120.395 119.950 0.030 0.000 2.569 217 F HA 0.193 4.720 4.527 -0.000 0.000 0.295 217 F C 2.018 177.843 175.800 0.041 0.000 1.115 217 F CA 0.499 58.525 58.000 0.043 0.000 1.450 217 F CB 0.149 39.183 39.000 0.058 0.000 1.107 217 F HN 0.142 nan 8.300 nan 0.000 0.563 218 G N 0.395 109.312 108.800 0.195 0.000 2.320 218 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.242 218 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.242 218 G C 0.215 175.197 174.900 0.137 0.000 1.033 218 G CA 0.351 45.527 45.100 0.126 0.000 0.620 218 G HN 0.616 nan 8.290 nan 0.000 0.517 219 V N -3.762 116.262 119.914 0.182 0.000 3.182 219 V HA 0.900 5.020 4.120 -0.000 0.000 0.308 219 V C -2.818 173.392 176.094 0.193 0.000 1.240 219 V CA -2.338 60.054 62.300 0.152 0.000 1.063 219 V CB 1.572 33.450 31.823 0.092 0.000 1.076 219 V HN 0.072 nan 8.190 nan 0.000 0.446 220 P HA 0.368 nan 4.420 nan 0.000 0.271 220 P C -0.079 177.252 177.300 0.052 0.000 1.218 220 P CA -0.025 63.221 63.100 0.243 0.000 0.780 220 P CB 1.119 32.901 31.700 0.136 0.000 0.901 221 L N 3.313 124.522 121.223 -0.024 0.000 2.519 221 L HA 0.464 4.804 4.340 -0.000 0.000 0.194 221 L C 0.605 177.431 176.870 -0.073 0.000 1.072 221 L CA 0.712 55.414 54.840 -0.230 0.000 0.845 221 L CB -1.000 40.643 42.059 -0.694 0.000 1.138 221 L HN 0.293 nan 8.230 nan 0.000 0.487 222 A N -0.026 122.804 122.820 0.018 0.000 2.520 222 A HA 0.428 4.748 4.320 -0.000 0.000 0.245 222 A C 1.375 179.009 177.584 0.084 0.000 1.072 222 A CA 0.526 52.605 52.037 0.070 0.000 0.761 222 A CB -1.045 18.031 19.000 0.128 0.000 1.004 222 A HN 1.322 nan 8.150 nan 0.000 0.499 223 G N 0.775 109.603 108.800 0.047 0.000 2.179 223 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.260 223 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.260 223 G C 0.510 175.413 174.900 0.005 0.000 0.977 223 G CA 1.087 46.203 45.100 0.027 0.000 0.641 223 G HN 1.774 nan 8.290 nan 0.000 0.533 224 S N -1.685 114.016 115.700 0.001 0.000 3.341 224 S HA 0.927 5.397 4.470 -0.000 0.000 0.326 224 S C -1.397 173.192 174.600 -0.019 0.000 1.178 224 S CA 0.510 58.703 58.200 -0.011 0.000 1.002 224 S CB 0.996 64.185 63.200 -0.018 0.000 1.385 224 S HN 1.791 nan 8.310 nan 0.000 0.710 225 L N -0.533 120.674 121.223 -0.027 0.000 2.869 225 L HA 0.724 5.064 4.340 -0.000 0.000 0.265 225 L C -1.802 175.054 176.870 -0.023 0.000 1.011 225 L CA -0.674 54.144 54.840 -0.036 0.000 0.913 225 L CB 0.997 43.040 42.059 -0.026 0.000 1.490 225 L HN 0.590 nan 8.230 nan 0.000 0.410 226 I N 1.357 121.918 120.570 -0.014 0.000 2.503 226 I HA 0.397 4.567 4.170 -0.000 0.000 0.282 226 I C -2.170 173.986 176.117 0.065 0.000 1.059 226 I CA -1.112 60.212 61.300 0.040 0.000 1.081 226 I CB 2.457 40.493 38.000 0.061 0.000 1.210 226 I HN 0.537 nan 8.210 nan 0.000 0.450 227 P HA 0.017 nan 4.420 nan 0.000 0.237 227 P C -0.886 176.506 177.300 0.154 0.000 1.723 227 P CA 0.307 63.444 63.100 0.062 0.000 0.882 227 P CB -0.195 31.527 31.700 0.035 0.000 1.810 228 W N 1.462 122.762 121.300 -0.001 0.000 3.775 228 W HA 0.379 5.039 4.660 -0.000 0.000 0.315 228 W C -2.194 174.345 176.519 0.033 0.000 1.169 228 W CA -0.702 56.652 57.345 0.014 0.000 1.266 228 W CB 1.137 30.608 29.460 0.018 0.000 1.269 228 W HN -0.220 nan 8.180 nan 0.000 0.471 229 I N 6.752 127.474 120.570 0.253 0.000 2.447 229 I HA 0.229 4.399 4.170 -0.000 0.000 0.287 229 I C 0.239 176.522 176.117 0.276 0.000 1.023 229 I CA -0.254 61.195 61.300 0.249 0.000 1.083 229 I CB 1.783 39.849 38.000 0.111 0.000 1.245 229 I HN 0.350 nan 8.210 nan 0.000 0.434 230 D N 2.754 123.333 120.400 0.299 0.000 10.186 230 D HA -0.162 4.478 4.640 -0.000 0.000 0.355 230 D C -0.534 175.975 176.300 0.349 0.000 3.006 230 D CA 0.615 54.762 54.000 0.246 0.000 2.406 230 D CB 0.375 41.284 40.800 0.182 0.000 1.188 230 D HN 0.366 nan 8.370 nan 0.000 1.028 231 V N -0.973 119.081 119.914 0.233 0.000 3.096 231 V HA 0.334 4.454 4.120 -0.000 0.000 0.306 231 V C 0.849 177.139 176.094 0.326 0.000 1.088 231 V CA 0.279 62.713 62.300 0.224 0.000 1.129 231 V CB 0.897 32.778 31.823 0.095 0.000 1.014 231 V HN 0.630 nan 8.190 nan 0.000 0.486 232 K N 2.569 123.171 120.400 0.336 0.000 2.237 232 K HA 0.379 4.699 4.320 -0.000 0.000 0.270 232 K C -0.029 176.647 176.600 0.126 0.000 1.015 232 K CA -0.555 55.964 56.287 0.385 0.000 0.949 232 K CB 0.610 33.360 32.500 0.417 0.000 0.976 232 K HN 0.859 nan 8.250 nan 0.000 0.472 233 R N 2.099 122.634 120.500 0.058 0.000 2.828 233 R HA 0.125 4.465 4.340 -0.000 0.000 0.264 233 R C 0.437 176.721 176.300 -0.027 0.000 1.022 233 R CA -0.921 55.139 56.100 -0.065 0.000 1.021 233 R CB 0.828 31.023 30.300 -0.175 0.000 1.163 233 R HN 0.746 nan 8.270 nan 0.000 0.494 234 D N 1.041 121.405 120.400 -0.060 0.000 2.158 234 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 234 D C 0.679 176.973 176.300 -0.011 0.000 0.995 234 D CA 1.637 55.619 54.000 -0.029 0.000 0.846 234 D CB -0.088 40.687 40.800 -0.041 0.000 0.941 234 D HN 0.488 nan 8.370 nan 0.000 0.456 235 N N -0.256 118.433 118.700 -0.019 0.000 2.332 235 N HA 0.099 4.839 4.740 -0.000 0.000 0.282 235 N C 1.395 176.906 175.510 0.001 0.000 1.288 235 N CA 0.325 53.372 53.050 -0.005 0.000 0.949 235 N CB -0.467 38.021 38.487 0.000 0.000 1.108 235 N HN -0.048 nan 8.380 nan 0.000 0.542 236 G N -2.178 106.618 108.800 -0.008 0.000 2.679 236 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.212 236 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.212 236 G C 0.333 175.178 174.900 -0.091 0.000 1.137 236 G CA 0.082 45.170 45.100 -0.019 0.000 0.787 236 G HN 0.590 nan 8.290 nan 0.000 0.534 237 Q N 0.728 120.481 119.800 -0.079 0.000 2.421 237 Q HA 0.362 4.702 4.340 -0.000 0.000 0.255 237 Q C 0.453 176.354 176.000 -0.164 0.000 1.013 237 Q CA -0.107 55.621 55.803 -0.125 0.000 0.895 237 Q CB 0.969 29.708 28.738 0.002 0.000 1.271 237 Q HN 0.350 nan 8.270 nan 0.000 0.460 238 S N 0.187 115.717 115.700 -0.284 0.000 2.672 238 S HA 0.206 4.676 4.470 -0.000 0.000 0.276 238 S C 0.676 175.283 174.600 0.013 0.000 1.207 238 S CA -0.847 57.222 58.200 -0.218 0.000 1.002 238 S CB 1.618 64.492 63.200 -0.543 0.000 0.998 238 S HN 0.728 nan 8.310 nan 0.000 0.542 239 K N 0.198 120.662 120.400 0.107 0.000 2.147 239 K HA -0.153 4.167 4.320 -0.000 0.000 0.205 239 K C 1.942 178.700 176.600 0.263 0.000 1.049 239 K CA 1.573 57.980 56.287 0.199 0.000 0.936 239 K CB -0.259 32.336 32.500 0.159 0.000 0.722 239 K HN 0.755 nan 8.250 nan 0.000 0.446 240 E N 1.166 121.449 120.200 0.138 0.000 2.051 240 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 240 E C 1.483 178.117 176.600 0.057 0.000 0.991 240 E CA 1.828 58.283 56.400 0.092 0.000 0.799 240 E CB 0.078 29.804 29.700 0.044 0.000 0.748 240 E HN 0.355 nan 8.360 nan 0.000 0.449 241 E N -0.833 119.379 120.200 0.020 0.000 2.072 241 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 241 E C 1.690 178.329 176.600 0.064 0.000 0.985 241 E CA 1.156 57.554 56.400 -0.003 0.000 0.801 241 E CB -0.419 29.239 29.700 -0.070 0.000 0.750 241 E HN 0.453 nan 8.360 nan 0.000 0.452 242 W N 2.280 123.543 121.300 -0.062 0.000 2.363 242 W HA -0.172 4.488 4.660 -0.000 0.000 0.296 242 W C 1.626 178.130 176.519 -0.025 0.000 1.212 242 W CA 1.408 58.730 57.345 -0.039 0.000 1.260 242 W CB 0.046 29.489 29.460 -0.028 0.000 1.131 242 W HN -0.155 nan 8.180 nan 0.000 0.530 243 K N 0.240 120.547 120.400 -0.155 0.000 2.032 243 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 243 K C 2.350 178.734 176.600 -0.359 0.000 1.048 243 K CA 1.768 57.805 56.287 -0.417 0.000 0.927 243 K CB -0.791 31.652 32.500 -0.096 0.000 0.712 243 K HN 0.226 nan 8.250 nan 0.000 0.441 244 A N 1.263 123.964 122.820 -0.199 0.000 1.881 244 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 244 A C 2.427 179.892 177.584 -0.198 0.000 1.215 244 A CA 2.409 54.350 52.037 -0.159 0.000 0.648 244 A CB -1.513 17.431 19.000 -0.093 0.000 0.832 244 A HN 0.487 nan 8.150 nan 0.000 0.455 245 G N -0.767 107.906 108.800 -0.213 0.000 2.404 245 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.215 245 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.215 245 G C 1.645 176.397 174.900 -0.246 0.000 1.174 245 G CA 2.108 47.097 45.100 -0.186 0.000 0.780 245 G HN 1.116 nan 8.290 nan 0.000 0.537 246 V N -1.310 118.350 119.914 -0.423 0.000 2.427 246 V HA -0.029 4.091 4.120 -0.000 0.000 0.248 246 V C 2.220 178.134 176.094 -0.300 0.000 1.051 246 V CA 2.343 64.407 62.300 -0.393 0.000 1.048 246 V CB -0.622 30.818 31.823 -0.638 0.000 0.666 246 V HN 0.426 nan 8.190 nan 0.000 0.456 247 E N 1.079 121.084 120.200 -0.326 0.000 2.107 247 E HA 0.016 4.366 4.350 -0.000 0.000 0.191 247 E C 2.417 178.916 176.600 -0.168 0.000 0.982 247 E CA 1.152 57.422 56.400 -0.217 0.000 0.809 247 E CB -0.322 29.258 29.700 -0.200 0.000 0.756 247 E HN 0.704 nan 8.360 nan 0.000 0.459 248 A N 1.915 124.623 122.820 -0.188 0.000 1.877 248 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 248 A C 1.893 179.383 177.584 -0.156 0.000 1.186 248 A CA 1.286 53.204 52.037 -0.199 0.000 0.620 248 A CB -0.419 18.430 19.000 -0.252 0.000 0.822 248 A HN 0.138 nan 8.150 nan 0.000 0.443 249 N N -0.421 118.205 118.700 -0.124 0.000 2.309 249 N HA -0.130 4.610 4.740 -0.000 0.000 0.182 249 N C 1.692 177.164 175.510 -0.063 0.000 1.018 249 N CA 1.419 54.425 53.050 -0.074 0.000 0.876 249 N CB -0.167 38.288 38.487 -0.054 0.000 0.972 249 N HN 0.702 nan 8.380 nan 0.000 0.434 250 K N 1.263 121.615 120.400 -0.080 0.000 2.062 250 K HA 0.046 4.366 4.320 -0.000 0.000 0.205 250 K C 2.064 178.638 176.600 -0.044 0.000 1.051 250 K CA 0.554 56.806 56.287 -0.058 0.000 0.941 250 K CB -0.007 32.453 32.500 -0.067 0.000 0.719 250 K HN -0.011 nan 8.250 nan 0.000 0.440 251 I N 1.329 121.864 120.570 -0.058 0.000 2.163 251 I HA -0.300 3.870 4.170 -0.000 0.000 0.243 251 I C 1.961 178.061 176.117 -0.028 0.000 1.085 251 I CA 1.310 62.586 61.300 -0.040 0.000 1.347 251 I CB -0.146 37.814 38.000 -0.065 0.000 1.044 251 I HN 0.204 nan 8.210 nan 0.000 0.408 252 L N 0.391 121.588 121.223 -0.043 0.000 2.552 252 L HA 0.108 4.448 4.340 -0.000 0.000 0.227 252 L C 1.356 178.223 176.870 -0.004 0.000 1.146 252 L CA 0.494 55.324 54.840 -0.017 0.000 0.858 252 L CB -0.605 41.447 42.059 -0.013 0.000 0.969 252 L HN 0.499 nan 8.230 nan 0.000 0.451 253 G N 0.966 109.758 108.800 -0.014 0.000 2.272 253 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.280 253 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.280 253 G C 0.288 175.182 174.900 -0.010 0.000 1.067 253 G CA 0.124 45.216 45.100 -0.013 0.000 0.902 253 G HN 0.368 nan 8.290 nan 0.000 0.500 254 L N -0.966 120.253 121.223 -0.007 0.000 3.168 254 L HA 0.246 4.586 4.340 -0.000 0.000 0.277 254 L C 2.122 178.990 176.870 -0.002 0.000 1.245 254 L CA -0.213 54.628 54.840 0.001 0.000 1.035 254 L CB 0.228 42.297 42.059 0.017 0.000 1.399 254 L HN 0.284 nan 8.230 nan 0.000 0.580 255 Q N 0.924 120.719 119.800 -0.009 0.000 2.297 255 Q HA -0.221 4.119 4.340 -0.000 0.000 0.208 255 Q C 1.421 177.422 176.000 0.000 0.000 0.981 255 Q CA 1.849 57.648 55.803 -0.008 0.000 0.876 255 Q CB 0.004 28.736 28.738 -0.011 0.000 0.921 255 Q HN 0.622 nan 8.270 nan 0.000 0.446 256 D N -1.163 119.237 120.400 0.001 0.000 2.323 256 D HA -0.036 4.604 4.640 -0.000 0.000 0.209 256 D C 0.467 176.771 176.300 0.007 0.000 0.973 256 D CA 0.445 54.447 54.000 0.004 0.000 0.874 256 D CB 0.236 41.036 40.800 0.001 0.000 0.930 256 D HN -0.062 nan 8.370 nan 0.000 0.521 257 S N 0.830 116.535 115.700 0.008 0.000 2.564 257 S HA 0.273 4.743 4.470 -0.000 0.000 0.141 257 S C -2.841 171.770 174.600 0.019 0.000 1.474 257 S CA -0.999 57.209 58.200 0.013 0.000 1.236 257 S CB 0.567 63.773 63.200 0.010 0.000 1.481 257 S HN -0.026 nan 8.310 nan 0.000 0.397 258 P HA 0.214 nan 4.420 nan 0.000 0.272 258 P C -0.396 176.932 177.300 0.047 0.000 1.223 258 P CA -0.298 62.817 63.100 0.025 0.000 0.784 258 P CB 0.824 32.530 31.700 0.011 0.000 0.923 259 V N 4.476 124.433 119.914 0.071 0.000 2.432 259 V HA 0.167 4.287 4.120 -0.000 0.000 0.271 259 V C -1.961 174.200 176.094 0.113 0.000 1.046 259 V CA -1.565 60.802 62.300 0.111 0.000 0.945 259 V CB 0.492 32.430 31.823 0.191 0.000 0.992 259 V HN 0.542 nan 8.190 nan 0.000 0.471 260 P HA 0.325 nan 4.420 nan 0.000 0.271 260 P C -0.667 176.715 177.300 0.135 0.000 1.233 260 P CA 0.280 63.440 63.100 0.100 0.000 0.764 260 P CB 0.323 32.073 31.700 0.082 0.000 0.825 261 I N 3.332 123.948 120.570 0.076 0.000 2.466 261 I HA 0.477 4.647 4.170 -0.000 0.000 0.289 261 I C -0.249 175.882 176.117 0.024 0.000 1.026 261 I CA -0.299 61.049 61.300 0.079 0.000 1.078 261 I CB 2.175 40.204 38.000 0.048 0.000 1.249 261 I HN 0.242 nan 8.210 nan 0.000 0.429 262 D N 3.128 123.543 120.400 0.024 0.000 2.639 262 D HA 0.834 5.474 4.640 -0.000 0.000 0.271 262 D C -0.639 175.655 176.300 -0.010 0.000 1.254 262 D CA 0.030 54.023 54.000 -0.011 0.000 0.810 262 D CB 2.681 43.458 40.800 -0.038 0.000 1.351 262 D HN 0.776 nan 8.370 nan 0.000 0.427 263 G N -0.619 108.160 108.800 -0.035 0.000 2.333 263 G HA2 0.379 4.339 3.960 -0.000 0.000 0.288 263 G HA3 0.379 4.339 3.960 -0.000 0.000 0.288 263 G C -1.571 173.284 174.900 -0.075 0.000 1.286 263 G CA -0.472 44.605 45.100 -0.038 0.000 0.865 263 G HN 0.429 nan 8.290 nan 0.000 0.506 264 T N 0.042 114.546 114.554 -0.083 0.000 2.779 264 T HA 0.526 4.876 4.350 -0.000 0.000 0.280 264 T C -0.398 174.225 174.700 -0.127 0.000 0.987 264 T CA -0.145 61.880 62.100 -0.126 0.000 0.966 264 T CB 1.084 69.880 68.868 -0.119 0.000 0.933 264 T HN 0.708 nan 8.240 nan 0.000 0.442 265 C N 4.037 123.252 119.300 -0.143 0.000 2.285 265 C HA 0.661 5.121 4.460 -0.000 0.000 0.335 265 C C 0.344 175.265 174.990 -0.116 0.000 1.267 265 C CA -0.785 58.159 59.018 -0.124 0.000 1.762 265 C CB -0.613 27.066 27.740 -0.102 0.000 2.365 265 C HN 0.660 nan 8.230 nan 0.000 0.527 266 V N 4.277 124.111 119.914 -0.133 0.000 2.495 266 V HA 0.512 4.632 4.120 -0.000 0.000 0.298 266 V C -0.001 176.045 176.094 -0.080 0.000 1.031 266 V CA -0.693 61.540 62.300 -0.111 0.000 0.871 266 V CB 1.729 33.436 31.823 -0.192 0.000 0.988 266 V HN 0.769 nan 8.190 nan 0.000 0.432 267 R N 4.385 124.870 120.500 -0.026 0.000 2.308 267 R HA 0.709 5.049 4.340 -0.000 0.000 0.305 267 R C -0.571 175.708 176.300 -0.035 0.000 1.053 267 R CA -0.126 55.969 56.100 -0.008 0.000 0.957 267 R CB 0.660 30.983 30.300 0.039 0.000 1.022 267 R HN 0.818 nan 8.270 nan 0.000 0.461 268 I N -0.398 120.171 120.570 -0.002 0.000 3.206 268 I HA 0.652 4.822 4.170 -0.000 0.000 0.313 268 I C 0.495 176.614 176.117 0.005 0.000 1.103 268 I CA -1.341 59.966 61.300 0.011 0.000 0.985 268 I CB 2.336 40.397 38.000 0.101 0.000 1.240 268 I HN 0.616 nan 8.210 nan 0.000 0.464 269 G N 1.907 110.712 108.800 0.010 0.000 3.325 269 G HA2 0.502 4.462 3.960 -0.000 0.000 0.242 269 G HA3 0.502 4.462 3.960 -0.000 0.000 0.242 269 G C 0.104 175.041 174.900 0.062 0.000 1.120 269 G CA 0.179 45.287 45.100 0.014 0.000 1.778 269 G HN 0.885 nan 8.290 nan 0.000 0.610 270 A N 0.511 123.387 122.820 0.092 0.000 2.306 270 A HA 0.751 5.071 4.320 -0.000 0.000 0.330 270 A C 1.128 178.784 177.584 0.119 0.000 1.146 270 A CA -0.692 51.412 52.037 0.112 0.000 0.827 270 A CB 1.132 20.218 19.000 0.144 0.000 1.178 270 A HN 0.166 nan 8.150 nan 0.000 0.490 271 M N 0.423 120.085 119.600 0.103 0.000 2.102 271 M HA 0.009 4.489 4.480 -0.000 0.000 0.259 271 M C 1.699 178.056 176.300 0.096 0.000 1.083 271 M CA 1.794 57.153 55.300 0.097 0.000 1.141 271 M CB -0.640 32.004 32.600 0.073 0.000 1.318 271 M HN 0.920 nan 8.290 nan 0.000 0.421 272 R N -2.046 118.499 120.500 0.074 0.000 2.569 272 R HA 0.354 4.694 4.340 -0.000 0.000 0.422 272 R C -0.591 175.709 176.300 -0.000 0.000 0.980 272 R CA -0.270 55.850 56.100 0.034 0.000 1.164 272 R CB -0.416 29.892 30.300 0.013 0.000 1.520 272 R HN 0.149 nan 8.270 nan 0.000 0.567 273 C N 2.006 121.345 119.300 0.065 0.000 2.417 273 C HA 0.552 5.012 4.460 -0.000 0.000 0.324 273 C C -0.710 174.409 174.990 0.214 0.000 1.240 273 C CA -0.636 58.425 59.018 0.072 0.000 1.632 273 C CB 0.854 28.646 27.740 0.086 0.000 2.241 273 C HN 0.420 nan 8.230 nan 0.000 0.499 274 H N 1.050 120.154 119.070 0.057 0.000 2.458 274 H HA 0.591 5.146 4.556 -0.000 0.000 0.330 274 H C -0.155 175.178 175.328 0.008 0.000 1.111 274 H CA -0.001 56.080 56.048 0.053 0.000 1.245 274 H CB 1.535 31.323 29.762 0.043 0.000 1.456 274 H HN 0.604 nan 8.280 nan 0.000 0.488 275 S N 2.485 118.251 115.700 0.109 0.000 2.566 275 S HA 0.563 5.033 4.470 -0.000 0.000 0.298 275 S C -0.594 173.900 174.600 -0.176 0.000 1.083 275 S CA -0.945 57.167 58.200 -0.147 0.000 0.978 275 S CB 2.024 65.120 63.200 -0.174 0.000 1.073 275 S HN 0.514 nan 8.310 nan 0.000 0.491 276 Q N 0.636 120.136 119.800 -0.499 0.000 2.315 276 Q HA 0.661 5.001 4.340 -0.000 0.000 0.273 276 Q C -1.427 174.331 176.000 -0.404 0.000 1.053 276 Q CA -0.801 54.852 55.803 -0.250 0.000 0.817 276 Q CB 2.330 30.996 28.738 -0.120 0.000 1.326 276 Q HN 0.737 nan 8.270 nan 0.000 0.423 277 A N 3.498 126.342 122.820 0.039 0.000 2.256 277 A HA 0.606 4.926 4.320 -0.000 0.000 0.317 277 A C -0.963 176.721 177.584 0.167 0.000 1.318 277 A CA -0.485 51.692 52.037 0.234 0.000 0.894 277 A CB 0.363 19.669 19.000 0.511 0.000 1.165 277 A HN 0.457 nan 8.150 nan 0.000 0.525 278 L N 1.995 123.296 121.223 0.129 0.000 2.334 278 L HA 0.581 4.921 4.340 -0.000 0.000 0.276 278 L C 0.184 177.139 176.870 0.143 0.000 1.014 278 L CA -0.101 54.812 54.840 0.122 0.000 0.815 278 L CB 1.210 43.319 42.059 0.083 0.000 1.268 278 L HN 0.570 nan 8.230 nan 0.000 0.428 279 T N 4.320 118.981 114.554 0.180 0.000 2.821 279 T HA 0.588 4.938 4.350 -0.000 0.000 0.307 279 T C 0.270 175.047 174.700 0.129 0.000 1.034 279 T CA -0.128 62.099 62.100 0.212 0.000 0.953 279 T CB 0.332 69.409 68.868 0.348 0.000 0.968 279 T HN 0.270 nan 8.240 nan 0.000 0.462 280 I N 3.294 123.840 120.570 -0.040 0.000 2.312 280 I HA 0.388 4.558 4.170 -0.000 0.000 0.290 280 I C 0.202 175.984 176.117 -0.557 0.000 1.008 280 I CA -0.987 60.172 61.300 -0.234 0.000 1.226 280 I CB 1.188 39.089 38.000 -0.165 0.000 1.371 280 I HN 0.203 nan 8.210 nan 0.000 0.468 281 K N 7.711 127.484 120.400 -1.045 0.000 2.262 281 K HA 0.497 4.817 4.320 -0.000 0.000 0.282 281 K C -1.030 175.052 176.600 -0.864 0.000 1.066 281 K CA -0.114 55.325 56.287 -1.412 0.000 0.901 281 K CB 0.477 31.426 32.500 -2.585 0.000 1.089 281 K HN 0.526 nan 8.250 nan 0.000 0.476 282 L N 4.923 125.770 121.223 -0.628 0.000 2.357 282 L HA 0.336 4.676 4.340 -0.000 0.000 0.273 282 L C 1.180 177.839 176.870 -0.353 0.000 1.080 282 L CA -0.539 54.055 54.840 -0.411 0.000 0.803 282 L CB 1.208 43.096 42.059 -0.286 0.000 1.174 282 L HN 0.692 nan 8.230 nan 0.000 0.443 283 K N 0.675 120.919 120.400 -0.261 0.000 2.296 283 K HA 0.014 4.334 4.320 -0.000 0.000 0.200 283 K C -0.010 176.507 176.600 -0.139 0.000 1.048 283 K CA 0.824 56.998 56.287 -0.188 0.000 0.966 283 K CB 0.194 32.607 32.500 -0.144 0.000 0.754 283 K HN 0.554 nan 8.250 nan 0.000 0.466 284 Q N -0.008 119.711 119.800 -0.136 0.000 2.456 284 Q HA 0.174 4.514 4.340 -0.000 0.000 0.283 284 Q C -1.210 174.736 176.000 -0.091 0.000 1.084 284 Q CA -0.923 54.823 55.803 -0.094 0.000 0.801 284 Q CB 1.538 30.230 28.738 -0.076 0.000 1.434 284 Q HN -0.098 nan 8.270 nan 0.000 0.419 285 N N 1.615 120.279 118.700 -0.060 0.000 2.555 285 N HA 0.217 4.957 4.740 -0.000 0.000 0.244 285 N C -1.385 174.100 175.510 -0.042 0.000 1.114 285 N CA 0.048 53.072 53.050 -0.044 0.000 0.963 285 N CB -0.003 38.471 38.487 -0.022 0.000 1.276 285 N HN 0.427 nan 8.380 nan 0.000 0.510 286 I N 3.298 123.836 120.570 -0.053 0.000 2.396 286 I HA 0.349 4.519 4.170 -0.000 0.000 0.292 286 I C -1.823 174.273 176.117 -0.035 0.000 0.999 286 I CA -2.442 58.830 61.300 -0.046 0.000 1.310 286 I CB 1.382 39.346 38.000 -0.060 0.000 1.404 286 I HN 0.328 nan 8.210 nan 0.000 0.496 287 P HA -0.041 nan 4.420 nan 0.000 0.265 287 P C 0.544 177.832 177.300 -0.020 0.000 1.193 287 P CA -0.230 62.858 63.100 -0.019 0.000 0.765 287 P CB 0.615 32.306 31.700 -0.016 0.000 0.823 288 L N 3.442 124.656 121.223 -0.015 0.000 2.129 288 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 288 L C 1.431 178.294 176.870 -0.013 0.000 1.087 288 L CA 2.071 56.903 54.840 -0.013 0.000 0.757 288 L CB -0.976 41.079 42.059 -0.007 0.000 0.896 288 L HN 0.296 nan 8.230 nan 0.000 0.434 289 D N -0.328 120.065 120.400 -0.011 0.000 2.104 289 D HA -0.201 4.439 4.640 -0.000 0.000 0.194 289 D C 2.137 178.430 176.300 -0.012 0.000 0.994 289 D CA 1.575 55.569 54.000 -0.010 0.000 0.830 289 D CB -0.011 40.783 40.800 -0.009 0.000 0.959 289 D HN 0.507 nan 8.370 nan 0.000 0.452 290 E N -0.137 120.053 120.200 -0.016 0.000 2.106 290 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 290 E C 2.346 178.934 176.600 -0.021 0.000 0.984 290 E CA 0.373 56.762 56.400 -0.018 0.000 0.806 290 E CB -0.003 29.684 29.700 -0.022 0.000 0.750 290 E HN 0.323 nan 8.360 nan 0.000 0.458 291 I N 1.206 121.761 120.570 -0.026 0.000 2.179 291 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 291 I C 2.218 178.324 176.117 -0.020 0.000 1.088 291 I CA 1.330 62.611 61.300 -0.031 0.000 1.357 291 I CB -0.233 37.745 38.000 -0.037 0.000 1.051 291 I HN 0.105 nan 8.210 nan 0.000 0.409 292 E N 0.396 120.589 120.200 -0.013 0.000 2.077 292 E HA -0.290 4.060 4.350 -0.000 0.000 0.193 292 E C 2.087 178.685 176.600 -0.003 0.000 0.989 292 E CA 1.419 57.816 56.400 -0.005 0.000 0.800 292 E CB -0.085 29.613 29.700 -0.003 0.000 0.746 292 E HN 0.457 nan 8.360 nan 0.000 0.452 293 E N 0.509 120.706 120.200 -0.005 0.000 2.047 293 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 293 E C 2.095 178.698 176.600 0.005 0.000 0.987 293 E CA 0.970 57.368 56.400 -0.003 0.000 0.799 293 E CB 0.025 29.721 29.700 -0.006 0.000 0.752 293 E HN 0.186 nan 8.360 nan 0.000 0.449 294 M N 0.338 119.939 119.600 0.002 0.000 2.080 294 M HA -0.210 4.270 4.480 -0.000 0.000 0.260 294 M C 2.293 178.611 176.300 0.030 0.000 1.068 294 M CA 1.544 56.851 55.300 0.012 0.000 1.109 294 M CB -0.247 32.348 32.600 -0.007 0.000 1.342 294 M HN 0.229 nan 8.290 nan 0.000 0.405 295 I N -0.303 120.274 120.570 0.012 0.000 2.163 295 I HA -0.236 3.934 4.170 -0.000 0.000 0.240 295 I C 2.658 178.799 176.117 0.040 0.000 1.081 295 I CA 1.245 62.554 61.300 0.014 0.000 1.353 295 I CB -0.600 37.398 38.000 -0.003 0.000 1.054 295 I HN 0.261 nan 8.210 nan 0.000 0.407 296 A N 0.602 123.436 122.820 0.024 0.000 1.972 296 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 296 A C 2.246 179.840 177.584 0.016 0.000 1.169 296 A CA 2.230 54.278 52.037 0.017 0.000 0.635 296 A CB -1.020 17.983 19.000 0.004 0.000 0.810 296 A HN 0.548 nan 8.150 nan 0.000 0.446 297 T N -4.084 110.484 114.554 0.024 0.000 3.107 297 T HA 0.038 4.388 4.350 -0.000 0.000 0.249 297 T C 1.540 176.249 174.700 0.015 0.000 1.096 297 T CA 0.733 62.836 62.100 0.004 0.000 1.012 297 T CB -0.451 68.414 68.868 -0.004 0.000 0.977 297 T HN 0.613 nan 8.240 nan 0.000 0.527 298 H N 3.232 122.288 119.070 -0.024 0.000 2.357 298 H HA 0.008 4.564 4.556 -0.000 0.000 0.301 298 H C 0.552 175.874 175.328 -0.009 0.000 1.082 298 H CA 1.781 57.822 56.048 -0.013 0.000 1.342 298 H CB 0.189 29.948 29.762 -0.005 0.000 1.389 298 H HN 0.692 nan 8.280 nan 0.000 0.511 299 N N -1.137 117.560 118.700 -0.004 0.000 2.825 299 N HA 0.033 4.773 4.740 -0.000 0.000 0.253 299 N C -0.581 174.833 175.510 -0.160 0.000 1.426 299 N CA -0.553 52.474 53.050 -0.038 0.000 0.851 299 N CB 0.666 39.279 38.487 0.210 0.000 1.470 299 N HN -0.275 nan 8.380 nan 0.000 0.517 300 D N -0.896 119.187 120.400 -0.527 0.000 2.371 300 D HA 0.002 4.642 4.640 -0.000 0.000 0.221 300 D C 0.162 175.925 176.300 -0.895 0.000 0.986 300 D CA 0.849 54.328 54.000 -0.869 0.000 0.899 300 D CB -0.011 39.996 40.800 -1.322 0.000 0.902 300 D HN 0.549 nan 8.370 nan 0.000 0.530 301 W N 0.265 121.567 121.300 0.003 0.000 2.792 301 W HA 0.217 4.877 4.660 -0.000 0.000 0.262 301 W C 0.778 177.290 176.519 -0.012 0.000 1.212 301 W CA -0.365 56.994 57.345 0.024 0.000 1.433 301 W CB -0.255 29.225 29.460 0.033 0.000 1.004 301 W HN -0.283 nan 8.180 nan 0.000 0.608 302 V N 3.228 123.220 119.914 0.130 0.000 2.763 302 V HA 0.042 4.162 4.120 -0.000 0.000 0.306 302 V C 0.023 176.144 176.094 0.044 0.000 1.059 302 V CA 0.665 63.008 62.300 0.071 0.000 1.138 302 V CB 0.945 32.798 31.823 0.050 0.000 0.940 302 V HN 0.020 nan 8.190 nan 0.000 0.489 303 K N 5.402 125.829 120.400 0.045 0.000 2.613 303 K HA 0.519 4.839 4.320 -0.000 0.000 0.248 303 K C -1.515 175.105 176.600 0.032 0.000 0.959 303 K CA -0.700 55.607 56.287 0.034 0.000 0.855 303 K CB 1.845 34.372 32.500 0.045 0.000 1.143 303 K HN 0.569 nan 8.250 nan 0.000 0.437 304 V N 5.931 125.859 119.914 0.022 0.000 2.408 304 V HA 0.241 4.361 4.120 -0.000 0.000 0.267 304 V C 0.367 176.475 176.094 0.024 0.000 1.047 304 V CA -0.665 61.649 62.300 0.024 0.000 0.937 304 V CB 0.656 32.488 31.823 0.016 0.000 0.999 304 V HN 0.626 nan 8.190 nan 0.000 0.472 305 I N 6.734 127.323 120.570 0.032 0.000 2.365 305 I HA 0.384 4.554 4.170 -0.000 0.000 0.291 305 I C -1.999 174.131 176.117 0.022 0.000 1.004 305 I CA -2.692 58.625 61.300 0.029 0.000 1.311 305 I CB 0.969 38.993 38.000 0.039 0.000 1.401 305 I HN 0.389 nan 8.210 nan 0.000 0.491 306 P HA -0.018 nan 4.420 nan 0.000 0.266 306 P C 0.061 177.367 177.300 0.010 0.000 1.193 306 P CA 0.022 63.128 63.100 0.010 0.000 0.770 306 P CB 0.367 32.072 31.700 0.007 0.000 0.836 307 N N 2.650 121.355 118.700 0.008 0.000 3.178 307 N HA 0.003 4.743 4.740 -0.000 0.000 0.300 307 N C -0.529 174.980 175.510 -0.002 0.000 1.242 307 N CA 0.177 53.231 53.050 0.005 0.000 1.192 307 N CB -0.491 38.000 38.487 0.008 0.000 1.463 307 N HN 0.253 nan 8.380 nan 0.000 0.539 308 E N 1.052 121.250 120.200 -0.004 0.000 2.317 308 E HA 0.192 4.542 4.350 -0.000 0.000 0.270 308 E C 0.381 176.973 176.600 -0.013 0.000 0.885 308 E CA -0.540 55.856 56.400 -0.007 0.000 0.760 308 E CB 1.675 31.373 29.700 -0.004 0.000 1.227 308 E HN 0.366 nan 8.360 nan 0.000 0.434 309 R N 2.456 122.946 120.500 -0.017 0.000 2.103 309 R HA -0.203 4.137 4.340 -0.000 0.000 0.234 309 R C 0.905 177.193 176.300 -0.021 0.000 1.132 309 R CA 2.638 58.724 56.100 -0.023 0.000 0.925 309 R CB -0.100 30.188 30.300 -0.021 0.000 0.842 309 R HN 0.483 nan 8.270 nan 0.000 0.430 310 D N 0.264 120.656 120.400 -0.013 0.000 2.104 310 D HA -0.187 4.453 4.640 -0.000 0.000 0.194 310 D C 1.806 178.103 176.300 -0.006 0.000 0.994 310 D CA 1.182 55.177 54.000 -0.009 0.000 0.830 310 D CB -0.320 40.477 40.800 -0.005 0.000 0.959 310 D HN 0.269 nan 8.370 nan 0.000 0.452 311 I N 0.582 121.150 120.570 -0.003 0.000 2.394 311 I HA -0.196 3.974 4.170 -0.000 0.000 0.251 311 I C 1.940 178.059 176.117 0.003 0.000 1.136 311 I CA 1.353 62.654 61.300 0.003 0.000 1.425 311 I CB -0.289 37.714 38.000 0.005 0.000 1.079 311 I HN -0.118 nan 8.210 nan 0.000 0.425 312 T N 0.669 115.220 114.554 -0.006 0.000 2.777 312 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 312 T C 1.956 176.644 174.700 -0.019 0.000 1.040 312 T CA 1.328 63.421 62.100 -0.012 0.000 1.141 312 T CB -0.497 68.350 68.868 -0.036 0.000 0.868 312 T HN 0.490 nan 8.240 nan 0.000 0.444 313 A N 1.552 124.357 122.820 -0.025 0.000 1.972 313 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 313 A C 2.324 179.905 177.584 -0.005 0.000 1.169 313 A CA 1.246 53.269 52.037 -0.024 0.000 0.635 313 A CB -0.334 18.652 19.000 -0.023 0.000 0.810 313 A HN 0.425 nan 8.150 nan 0.000 0.446 314 R N -1.198 119.305 120.500 0.004 0.000 2.223 314 R HA 0.091 4.431 4.340 -0.000 0.000 0.198 314 R C 1.425 177.739 176.300 0.024 0.000 0.984 314 R CA 0.816 56.924 56.100 0.013 0.000 1.018 314 R CB 0.104 30.411 30.300 0.012 0.000 0.945 314 R HN 0.433 nan 8.270 nan 0.000 0.479 315 E N 0.177 120.393 120.200 0.026 0.000 2.244 315 E HA 0.020 4.370 4.350 -0.000 0.000 0.196 315 E C 0.260 176.895 176.600 0.057 0.000 0.939 315 E CA 0.287 56.711 56.400 0.040 0.000 0.884 315 E CB 0.327 30.048 29.700 0.036 0.000 0.850 315 E HN 0.017 nan 8.360 nan 0.000 0.481 316 L N 2.562 123.821 121.223 0.061 0.000 2.865 316 L HA 0.178 4.518 4.340 -0.000 0.000 0.233 316 L C -0.285 176.660 176.870 0.126 0.000 1.320 316 L CA 0.193 55.097 54.840 0.108 0.000 1.225 316 L CB -0.451 41.681 42.059 0.122 0.000 1.542 316 L HN -0.011 nan 8.230 nan 0.000 0.432 317 T N -3.136 111.479 114.554 0.101 0.000 2.868 317 T HA 0.496 4.846 4.350 -0.000 0.000 0.306 317 T C -2.419 172.336 174.700 0.091 0.000 1.224 317 T CA -1.493 60.665 62.100 0.097 0.000 1.012 317 T CB 1.798 70.699 68.868 0.056 0.000 1.221 317 T HN -0.164 nan 8.240 nan 0.000 0.499 318 P HA 0.022 nan 4.420 nan 0.000 0.217 318 P C 1.743 179.084 177.300 0.069 0.000 1.150 318 P CA 1.660 64.812 63.100 0.086 0.000 0.832 318 P CB -0.249 31.509 31.700 0.096 0.000 0.787 319 A N -0.064 122.793 122.820 0.061 0.000 1.917 319 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 319 A C 2.271 179.884 177.584 0.049 0.000 1.182 319 A CA 2.407 54.474 52.037 0.050 0.000 0.633 319 A CB -1.109 17.916 19.000 0.043 0.000 0.819 319 A HN 0.098 nan 8.150 nan 0.000 0.448 320 K N -0.412 120.019 120.400 0.052 0.000 2.031 320 K HA 0.005 4.325 4.320 -0.000 0.000 0.205 320 K C 1.578 178.213 176.600 0.059 0.000 1.049 320 K CA 1.839 58.157 56.287 0.052 0.000 0.939 320 K CB -0.520 32.011 32.500 0.052 0.000 0.717 320 K HN 0.180 nan 8.250 nan 0.000 0.438 321 V N 0.707 120.661 119.914 0.067 0.000 2.591 321 V HA -0.062 4.058 4.120 -0.000 0.000 0.249 321 V C 1.171 177.304 176.094 0.066 0.000 1.053 321 V CA 1.269 63.614 62.300 0.074 0.000 1.068 321 V CB -0.598 31.274 31.823 0.082 0.000 0.689 321 V HN 0.465 nan 8.190 nan 0.000 0.462 322 T N 0.913 115.502 114.554 0.058 0.000 2.819 322 T HA 0.244 4.594 4.350 -0.000 0.000 0.282 322 T C 1.279 176.002 174.700 0.040 0.000 1.013 322 T CA 1.376 63.504 62.100 0.047 0.000 1.159 322 T CB -0.041 68.854 68.868 0.045 0.000 1.007 322 T HN 1.092 nan 8.240 nan 0.000 0.514 323 G N 3.279 112.096 108.800 0.028 0.000 2.162 323 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 323 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 323 G C 0.296 175.211 174.900 0.025 0.000 0.976 323 G CA 0.843 45.955 45.100 0.019 0.000 0.655 323 G HN 1.458 nan 8.290 nan 0.000 0.533 324 T N -2.461 112.120 114.554 0.046 0.000 2.930 324 T HA 0.726 5.076 4.350 -0.000 0.000 0.290 324 T C 1.036 175.797 174.700 0.102 0.000 1.052 324 T CA -0.579 61.564 62.100 0.071 0.000 1.017 324 T CB 1.925 70.848 68.868 0.092 0.000 1.137 324 T HN 0.287 nan 8.240 nan 0.000 0.511 325 L N 1.150 122.466 121.223 0.156 0.000 2.592 325 L HA 0.271 4.611 4.340 -0.000 0.000 0.227 325 L C 1.457 178.623 176.870 0.494 0.000 1.127 325 L CA -0.179 54.819 54.840 0.264 0.000 0.884 325 L CB 0.123 42.310 42.059 0.213 0.000 1.065 325 L HN 0.720 nan 8.230 nan 0.000 0.457 326 S N 0.071 115.971 115.700 0.333 0.000 2.565 326 S HA 0.294 4.764 4.470 -0.000 0.000 0.276 326 S C -0.052 174.684 174.600 0.227 0.000 1.326 326 S CA -0.376 57.996 58.200 0.287 0.000 1.045 326 S CB 0.968 64.276 63.200 0.180 0.000 0.918 326 S HN -0.027 nan 8.310 nan 0.000 0.505 327 V N 8.151 128.176 119.914 0.186 0.000 2.315 327 V HA 0.363 4.483 4.120 -0.000 0.000 0.265 327 V C -2.136 174.002 176.094 0.073 0.000 1.019 327 V CA -1.534 60.828 62.300 0.104 0.000 0.824 327 V CB 0.922 32.766 31.823 0.035 0.000 1.072 327 V HN 0.746 nan 8.190 nan 0.000 0.448 328 P HA 0.289 nan 4.420 nan 0.000 0.275 328 P C -0.743 176.590 177.300 0.054 0.000 1.228 328 P CA 0.018 63.157 63.100 0.065 0.000 0.786 328 P CB 2.635 34.380 31.700 0.075 0.000 0.927 329 V N 1.908 121.854 119.914 0.053 0.000 2.686 329 V HA 0.816 4.936 4.120 -0.000 0.000 0.306 329 V C -0.297 175.840 176.094 0.071 0.000 1.065 329 V CA -0.128 62.204 62.300 0.053 0.000 0.894 329 V CB 1.651 33.490 31.823 0.026 0.000 1.004 329 V HN 0.873 nan 8.190 nan 0.000 0.424 330 G N 4.132 112.997 108.800 0.108 0.000 2.911 330 G HA2 0.614 4.574 3.960 -0.000 0.000 0.299 330 G HA3 0.614 4.574 3.960 -0.000 0.000 0.299 330 G C -0.417 174.545 174.900 0.104 0.000 1.283 330 G CA -0.599 44.556 45.100 0.092 0.000 0.805 330 G HN 0.856 nan 8.290 nan 0.000 0.548 331 R N -1.596 118.944 120.500 0.067 0.000 3.758 331 R HA -0.139 4.201 4.340 -0.000 0.000 0.299 331 R C 0.123 176.457 176.300 0.057 0.000 1.182 331 R CA 0.292 56.425 56.100 0.054 0.000 0.809 331 R CB -2.576 27.765 30.300 0.069 0.000 1.249 331 R HN 0.446 nan 8.270 nan 0.000 0.497 332 L N 2.095 123.346 121.223 0.047 0.000 2.433 332 L HA 0.179 4.519 4.340 -0.000 0.000 0.275 332 L C 1.200 178.085 176.870 0.025 0.000 1.128 332 L CA 0.492 55.353 54.840 0.035 0.000 0.875 332 L CB 0.280 42.354 42.059 0.023 0.000 1.171 332 L HN 0.226 nan 8.230 nan 0.000 0.463 333 R N 2.118 122.634 120.500 0.027 0.000 2.709 333 R HA 0.445 4.785 4.340 -0.000 0.000 0.270 333 R C -1.572 174.746 176.300 0.029 0.000 1.038 333 R CA -1.224 54.889 56.100 0.023 0.000 0.872 333 R CB 1.040 31.354 30.300 0.022 0.000 1.259 333 R HN 0.071 nan 8.270 nan 0.000 0.473 334 K N 2.060 122.475 120.400 0.026 0.000 2.237 334 K HA 0.297 4.617 4.320 -0.000 0.000 0.270 334 K C 0.156 176.784 176.600 0.046 0.000 1.015 334 K CA -0.059 56.252 56.287 0.041 0.000 0.949 334 K CB 0.667 33.186 32.500 0.032 0.000 0.976 334 K HN 0.562 nan 8.250 nan 0.000 0.472 335 M N 0.621 120.265 119.600 0.072 0.000 2.494 335 M HA 0.242 4.722 4.480 -0.000 0.000 0.300 335 M C 1.463 177.749 176.300 -0.022 0.000 1.189 335 M CA -0.458 54.865 55.300 0.038 0.000 0.982 335 M CB 1.070 33.712 32.600 0.069 0.000 1.534 335 M HN 0.682 nan 8.290 nan 0.000 0.488 336 A N 0.560 123.349 122.820 -0.052 0.000 2.024 336 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 336 A C 1.816 179.304 177.584 -0.160 0.000 1.164 336 A CA 1.808 53.797 52.037 -0.080 0.000 0.643 336 A CB -0.611 18.350 19.000 -0.066 0.000 0.806 336 A HN 0.841 nan 8.150 nan 0.000 0.451 337 M N -1.242 118.170 119.600 -0.313 0.000 2.374 337 M HA 0.199 4.679 4.480 -0.000 0.000 0.264 337 M C 1.025 177.043 176.300 -0.469 0.000 1.067 337 M CA 1.232 56.162 55.300 -0.617 0.000 1.103 337 M CB -0.284 31.442 32.600 -1.458 0.000 1.402 337 M HN 0.540 nan 8.290 nan 0.000 0.444 338 G N -1.449 107.251 108.800 -0.167 0.000 2.350 338 G HA2 0.024 3.984 3.960 -0.000 0.000 0.305 338 G HA3 0.024 3.984 3.960 -0.000 0.000 0.305 338 G C -0.989 174.009 174.900 0.162 0.000 1.479 338 G CA -0.852 44.286 45.100 0.065 0.000 0.949 338 G HN -0.008 nan 8.290 nan 0.000 0.651 339 D N -0.310 120.153 120.400 0.105 0.000 2.392 339 D HA 0.067 4.707 4.640 -0.000 0.000 0.228 339 D C 1.536 177.870 176.300 0.057 0.000 1.003 339 D CA 1.442 55.483 54.000 0.068 0.000 0.917 339 D CB 0.333 41.151 40.800 0.031 0.000 0.890 339 D HN 0.451 nan 8.370 nan 0.000 0.532 340 D N -1.072 119.388 120.400 0.100 0.000 2.402 340 D HA -0.016 4.624 4.640 -0.000 0.000 0.216 340 D C -0.343 175.836 176.300 -0.201 0.000 1.128 340 D CA -0.357 53.606 54.000 -0.061 0.000 0.833 340 D CB -0.664 40.063 40.800 -0.121 0.000 0.971 340 D HN 0.090 nan 8.370 nan 0.000 0.503 341 F N 0.774 120.651 119.950 -0.121 0.000 2.426 341 F HA 0.411 4.938 4.527 -0.000 0.000 0.348 341 F C -0.367 175.376 175.800 -0.095 0.000 1.124 341 F CA -1.289 56.630 58.000 -0.134 0.000 1.008 341 F CB 1.897 40.857 39.000 -0.067 0.000 1.139 341 F HN -0.186 nan 8.300 nan 0.000 0.452 342 L N 5.453 126.678 121.223 0.002 0.000 2.333 342 L HA 0.464 4.804 4.340 -0.000 0.000 0.280 342 L C -0.650 176.243 176.870 0.037 0.000 1.004 342 L CA -0.320 54.523 54.840 0.005 0.000 0.820 342 L CB 1.159 43.182 42.059 -0.060 0.000 1.247 342 L HN 0.553 nan 8.230 nan 0.000 0.416 343 N N 4.055 122.792 118.700 0.063 0.000 2.509 343 N HA 0.792 5.532 4.740 -0.000 0.000 0.287 343 N C -1.415 174.142 175.510 0.078 0.000 1.121 343 N CA 0.066 53.167 53.050 0.086 0.000 0.977 343 N CB 1.881 40.423 38.487 0.092 0.000 1.167 343 N HN 0.844 nan 8.380 nan 0.000 0.476 344 A N 2.355 125.238 122.820 0.105 0.000 2.566 344 A HA 0.588 4.908 4.320 -0.000 0.000 0.297 344 A C -2.020 175.664 177.584 0.167 0.000 1.059 344 A CA -0.649 51.453 52.037 0.107 0.000 0.691 344 A CB 0.894 19.927 19.000 0.056 0.000 1.282 344 A HN 0.596 nan 8.150 nan 0.000 0.401 345 F N 1.199 121.157 119.950 0.014 0.000 2.539 345 F HA 0.728 5.255 4.527 -0.000 0.000 0.318 345 F C -0.010 175.789 175.800 -0.002 0.000 1.135 345 F CA 0.131 58.131 58.000 -0.000 0.000 0.915 345 F CB 2.268 41.250 39.000 -0.031 0.000 1.176 345 F HN 0.697 nan 8.300 nan 0.000 0.440 346 T N 4.838 119.129 114.554 -0.439 0.000 2.906 346 T HA 0.818 5.168 4.350 -0.000 0.000 0.295 346 T C -1.857 172.667 174.700 -0.293 0.000 1.075 346 T CA -0.479 61.491 62.100 -0.215 0.000 1.005 346 T CB 1.485 70.284 68.868 -0.115 0.000 1.136 346 T HN 0.399 nan 8.240 nan 0.000 0.498 347 V N 1.847 121.714 119.914 -0.080 0.000 2.760 347 V HA 0.911 5.031 4.120 -0.000 0.000 0.309 347 V C 0.390 176.502 176.094 0.030 0.000 1.077 347 V CA -0.562 61.727 62.300 -0.018 0.000 0.910 347 V CB 1.859 33.722 31.823 0.066 0.000 1.008 347 V HN 1.177 nan 8.190 nan 0.000 0.424 348 G N 1.056 109.885 108.800 0.050 0.000 2.696 348 G HA2 0.478 4.438 3.960 -0.000 0.000 0.295 348 G HA3 0.478 4.438 3.960 -0.000 0.000 0.295 348 G C -1.762 173.172 174.900 0.056 0.000 1.398 348 G CA -0.462 44.680 45.100 0.070 0.000 0.920 348 G HN 0.604 nan 8.290 nan 0.000 0.492 349 D N 0.974 121.414 120.400 0.067 0.000 2.339 349 D HA 0.017 4.657 4.640 -0.000 0.000 0.256 349 D C 1.171 177.452 176.300 -0.032 0.000 1.214 349 D CA -0.275 53.736 54.000 0.017 0.000 0.877 349 D CB 1.410 42.228 40.800 0.030 0.000 1.111 349 D HN 0.487 nan 8.370 nan 0.000 0.478 350 Q N 4.553 124.266 119.800 -0.145 0.000 2.472 350 Q HA -0.071 4.269 4.340 -0.000 0.000 0.208 350 Q C 0.930 176.853 176.000 -0.129 0.000 0.958 350 Q CA 0.582 56.252 55.803 -0.221 0.000 0.932 350 Q CB 0.196 28.552 28.738 -0.636 0.000 1.007 350 Q HN 0.668 nan 8.270 nan 0.000 0.508 351 L N -0.239 120.927 121.223 -0.095 0.000 2.416 351 L HA 0.085 4.425 4.340 -0.000 0.000 0.216 351 L C 1.872 178.682 176.870 -0.100 0.000 1.098 351 L CA 0.088 54.880 54.840 -0.079 0.000 0.840 351 L CB 0.107 42.130 42.059 -0.060 0.000 0.981 351 L HN 0.149 nan 8.230 nan 0.000 0.462 352 L N -1.827 119.329 121.223 -0.112 0.000 2.292 352 L HA -0.000 4.340 4.340 -0.000 0.000 0.196 352 L C 1.998 178.710 176.870 -0.262 0.000 1.246 352 L CA 0.882 55.592 54.840 -0.218 0.000 0.864 352 L CB -0.572 41.347 42.059 -0.233 0.000 1.044 352 L HN 0.123 nan 8.230 nan 0.000 0.504 353 W N 0.216 121.433 121.300 -0.139 0.000 2.465 353 W HA -0.057 4.603 4.660 -0.000 0.000 0.268 353 W C 2.111 178.559 176.519 -0.118 0.000 1.242 353 W CA 0.818 58.066 57.345 -0.161 0.000 1.248 353 W CB -0.273 29.087 29.460 -0.167 0.000 1.118 353 W HN 0.271 nan 8.180 nan 0.000 0.587 354 G N -1.037 107.821 108.800 0.096 0.000 2.920 354 G HA2 0.267 4.227 3.960 -0.000 0.000 0.208 354 G HA3 0.267 4.227 3.960 -0.000 0.000 0.208 354 G C 0.876 175.777 174.900 0.000 0.000 1.159 354 G CA 0.829 45.952 45.100 0.038 0.000 0.784 354 G HN 0.258 nan 8.290 nan 0.000 0.535 355 A N -0.526 122.274 122.820 -0.032 0.000 1.687 355 A HA 0.678 4.998 4.320 -0.000 0.000 0.158 355 A C 2.093 179.628 177.584 -0.082 0.000 1.516 355 A CA 1.249 53.258 52.037 -0.046 0.000 1.427 355 A CB -0.923 18.049 19.000 -0.047 0.000 1.263 355 A HN 0.596 nan 8.150 nan 0.000 0.837 356 A N -0.133 122.612 122.820 -0.125 0.000 1.897 356 A HA 0.032 4.352 4.320 -0.000 0.000 0.215 356 A C 1.776 179.218 177.584 -0.236 0.000 1.181 356 A CA 2.255 54.197 52.037 -0.160 0.000 0.620 356 A CB -0.522 18.384 19.000 -0.156 0.000 0.821 356 A HN 0.511 nan 8.150 nan 0.000 0.443 357 E N 0.214 120.196 120.200 -0.364 0.000 2.070 357 E HA -0.132 4.218 4.350 -0.000 0.000 0.197 357 E C -0.695 175.661 176.600 -0.407 0.000 1.004 357 E CA 2.088 58.149 56.400 -0.565 0.000 0.805 357 E CB -1.045 27.943 29.700 -1.187 0.000 0.744 357 E HN 0.422 nan 8.360 nan 0.000 0.451 358 P HA -0.136 nan 4.420 nan 0.000 0.218 358 P C 1.050 178.294 177.300 -0.094 0.000 1.148 358 P CA 1.130 64.187 63.100 -0.071 0.000 0.822 358 P CB -0.025 31.693 31.700 0.031 0.000 0.784 359 L N -0.482 120.672 121.223 -0.116 0.000 2.027 359 L HA -0.135 4.205 4.340 -0.000 0.000 0.206 359 L C 2.728 179.506 176.870 -0.152 0.000 1.074 359 L CA 1.709 56.483 54.840 -0.110 0.000 0.745 359 L CB -0.947 41.049 42.059 -0.106 0.000 0.898 359 L HN 0.018 nan 8.230 nan 0.000 0.433 360 R N 0.347 120.732 120.500 -0.193 0.000 2.115 360 R HA -0.087 4.253 4.340 -0.000 0.000 0.226 360 R C 2.224 178.403 176.300 -0.201 0.000 1.100 360 R CA 0.811 56.782 56.100 -0.216 0.000 0.980 360 R CB -0.407 29.746 30.300 -0.246 0.000 0.875 360 R HN 0.272 nan 8.270 nan 0.000 0.445 361 R N 0.534 120.920 120.500 -0.190 0.000 2.090 361 R HA 0.004 4.344 4.340 -0.000 0.000 0.228 361 R C 1.985 178.195 176.300 -0.150 0.000 1.110 361 R CA 1.804 57.815 56.100 -0.150 0.000 0.973 361 R CB -0.341 29.889 30.300 -0.117 0.000 0.869 361 R HN 0.263 nan 8.270 nan 0.000 0.440 362 T N 1.950 116.407 114.554 -0.161 0.000 2.788 362 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 362 T C 1.746 176.276 174.700 -0.283 0.000 1.044 362 T CA 0.993 62.959 62.100 -0.224 0.000 1.139 362 T CB -0.176 68.578 68.868 -0.189 0.000 0.867 362 T HN 0.090 nan 8.240 nan 0.000 0.454 363 L N 1.366 122.450 121.223 -0.232 0.000 2.017 363 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 363 L C 2.401 179.134 176.870 -0.228 0.000 1.073 363 L CA 1.741 56.440 54.840 -0.236 0.000 0.745 363 L CB -0.375 41.560 42.059 -0.205 0.000 0.894 363 L HN -0.044 nan 8.230 nan 0.000 0.432 364 R N -0.074 120.310 120.500 -0.193 0.000 2.096 364 R HA -0.055 4.285 4.340 -0.000 0.000 0.235 364 R C 2.301 178.508 176.300 -0.156 0.000 1.127 364 R CA 1.793 57.799 56.100 -0.156 0.000 0.968 364 R CB -0.919 29.307 30.300 -0.123 0.000 0.861 364 R HN 0.490 nan 8.270 nan 0.000 0.440 365 I N 0.416 120.876 120.570 -0.184 0.000 2.202 365 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 365 I C 2.254 178.224 176.117 -0.245 0.000 1.091 365 I CA 1.213 62.400 61.300 -0.188 0.000 1.368 365 I CB -0.262 37.613 38.000 -0.209 0.000 1.058 365 I HN 0.024 nan 8.210 nan 0.000 0.410 366 I N 0.411 120.766 120.570 -0.358 0.000 2.286 366 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 366 I C 2.452 178.394 176.117 -0.293 0.000 1.115 366 I CA 1.316 62.342 61.300 -0.457 0.000 1.392 366 I CB -0.221 37.326 38.000 -0.757 0.000 1.065 366 I HN 0.212 nan 8.210 nan 0.000 0.418 367 L N 0.464 121.554 121.223 -0.222 0.000 2.046 367 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 367 L C 2.791 179.603 176.870 -0.097 0.000 1.077 367 L CA 1.412 56.168 54.840 -0.139 0.000 0.747 367 L CB -0.559 41.428 42.059 -0.119 0.000 0.896 367 L HN 0.244 nan 8.230 nan 0.000 0.432 368 A N -1.115 121.646 122.820 -0.097 0.000 1.969 368 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 368 A C 1.267 178.830 177.584 -0.036 0.000 1.169 368 A CA 0.951 52.953 52.037 -0.058 0.000 0.635 368 A CB -0.138 18.831 19.000 -0.052 0.000 0.810 368 A HN 0.255 nan 8.150 nan 0.000 0.445 369 E N 0.000 120.169 120.200 -0.051 0.000 2.725 369 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 369 E CA 0.000 56.406 56.400 0.009 0.000 0.976 369 E CB 0.000 29.706 29.700 0.011 0.000 0.812 369 E HN 0.000 nan 8.360 nan 0.000 0.440