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 2wo5_1_C DATA FIRST_RESID 2 DATA SEQUENCE ATNLRGVMAA LLTPFDQQQA LDKASLRRLV QFNIQQGIDG LYVGGSTGEA DATA SEQUENCE FVQSLSEREQ VLEIVAEEAK GKIKLIAHVG CVSTAESQQL AASAKRYGFD DATA SEQUENCE AVSAVTPFYY PFSFEEHCDH YRAIIDSADG LPMVVYNIPA LSGVKLTLDQ DATA SEQUENCE INTLVTLPGV GALKQTSGDL YQMEQIRREH PDLVLYNGYD EIFASGLLAG DATA SEQUENCE ADGGIGSTYN IMGWRYQGIV KALKEGDIQT AQKLQTECNK VIDLLIKTGV DATA SEQUENCE FRGLKTVLHY MDVVSVPLCR KPFGPVDEKY LPELKALAQQ LMQER 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.599 177.584 0.024 0.000 1.274 2 A CA 0.000 52.054 52.037 0.028 0.000 0.836 2 A CB 0.000 19.026 19.000 0.044 0.000 0.831 3 T N 2.027 116.587 114.554 0.011 0.000 2.755 3 T HA -0.280 4.091 4.350 0.034 0.000 0.266 3 T C 2.054 176.766 174.700 0.020 0.000 1.041 3 T CA 2.613 64.716 62.100 0.005 0.000 1.147 3 T CB -0.712 68.159 68.868 0.005 0.000 0.847 3 T HN 0.799 nan 8.240 nan 0.000 0.478 4 N N 1.410 120.128 118.700 0.030 0.000 2.184 4 N HA -0.145 4.615 4.740 0.034 0.000 0.190 4 N C 1.870 177.421 175.510 0.068 0.000 1.011 4 N CA 1.516 54.591 53.050 0.043 0.000 0.867 4 N CB -0.855 37.657 38.487 0.041 0.000 0.993 4 N HN 0.462 nan 8.380 nan 0.000 0.433 5 L N -0.411 120.861 121.223 0.082 0.000 2.249 5 L HA 0.112 4.473 4.340 0.034 0.000 0.207 5 L C 1.173 178.126 176.870 0.139 0.000 1.090 5 L CA -0.264 54.669 54.840 0.155 0.000 0.802 5 L CB -0.281 41.895 42.059 0.195 0.000 0.947 5 L HN -0.008 nan 8.230 nan 0.000 0.453 6 R N 1.214 121.720 120.500 0.011 0.000 2.584 6 R HA 0.147 4.508 4.340 0.034 0.000 0.315 6 R C 0.006 176.342 176.300 0.060 0.000 0.863 6 R CA 1.110 57.184 56.100 -0.042 0.000 1.139 6 R CB -0.192 30.090 30.300 -0.031 0.000 0.880 6 R HN 0.339 nan 8.270 nan 0.000 0.413 7 G N 1.154 110.021 108.800 0.112 0.000 2.315 7 G HA2 0.170 4.150 3.960 0.034 0.000 0.294 7 G HA3 0.170 4.150 3.960 0.034 0.000 0.294 7 G C -1.671 173.386 174.900 0.262 0.000 1.300 7 G CA -0.802 44.401 45.100 0.172 0.000 0.843 7 G HN 0.364 nan 8.290 nan 0.000 0.527 8 V N 2.180 122.212 119.914 0.198 0.000 2.339 8 V HA 0.453 4.594 4.120 0.034 0.000 0.261 8 V C -0.026 176.188 176.094 0.201 0.000 1.058 8 V CA -0.282 62.124 62.300 0.176 0.000 0.897 8 V CB 0.727 32.535 31.823 -0.024 0.000 1.052 8 V HN 0.561 nan 8.190 nan 0.000 0.480 9 M N 4.143 123.917 119.600 0.290 0.000 2.205 9 M HA 0.569 5.070 4.480 0.034 0.000 0.344 9 M C 0.181 176.587 176.300 0.178 0.000 1.085 9 M CA -0.644 54.760 55.300 0.173 0.000 1.001 9 M CB 1.338 33.968 32.600 0.050 0.000 1.626 9 M HN 0.548 nan 8.290 nan 0.000 0.442 10 A N 2.833 125.747 122.820 0.156 0.000 2.409 10 A HA 0.628 4.969 4.320 0.034 0.000 0.262 10 A C 0.526 178.066 177.584 -0.073 0.000 1.113 10 A CA -0.485 51.584 52.037 0.054 0.000 0.790 10 A CB 0.102 19.154 19.000 0.085 0.000 1.046 10 A HN 0.935 nan 8.150 nan 0.000 0.496 11 A N 3.259 125.941 122.820 -0.231 0.000 2.544 11 A HA 0.440 4.780 4.320 0.034 0.000 0.301 11 A C 0.192 177.704 177.584 -0.118 0.000 1.368 11 A CA -0.287 51.658 52.037 -0.153 0.000 1.045 11 A CB -0.728 18.113 19.000 -0.265 0.000 1.129 11 A HN 1.030 nan 8.150 nan 0.000 0.540 12 L N 3.059 124.245 121.223 -0.062 0.000 2.525 12 L HA 0.156 4.517 4.340 0.034 0.000 0.278 12 L C 0.166 176.946 176.870 -0.150 0.000 1.218 12 L CA 0.615 55.408 54.840 -0.078 0.000 0.878 12 L CB 0.218 42.247 42.059 -0.050 0.000 1.127 12 L HN 0.607 nan 8.230 nan 0.000 0.492 13 L N 3.825 124.952 121.223 -0.160 0.000 2.439 13 L HA 0.379 4.740 4.340 0.034 0.000 0.261 13 L C 0.260 176.984 176.870 -0.243 0.000 1.153 13 L CA -0.417 54.284 54.840 -0.231 0.000 0.808 13 L CB 0.824 42.770 42.059 -0.188 0.000 1.126 13 L HN 0.558 nan 8.230 nan 0.000 0.460 14 T N 2.009 116.358 114.554 -0.343 0.000 2.809 14 T HA 0.348 4.718 4.350 0.034 0.000 0.296 14 T C -2.481 171.753 174.700 -0.776 0.000 1.015 14 T CA -1.225 60.593 62.100 -0.471 0.000 0.954 14 T CB 1.511 70.114 68.868 -0.443 0.000 0.950 14 T HN 0.231 nan 8.240 nan 0.000 0.450 15 P HA 0.436 nan 4.420 nan 0.000 0.276 15 P C -0.901 175.995 177.300 -0.672 0.000 1.230 15 P CA -0.223 62.566 63.100 -0.519 0.000 0.776 15 P CB 0.434 31.976 31.700 -0.263 0.000 0.888 16 F N 0.706 120.625 119.950 -0.051 0.000 2.654 16 F HA 0.484 5.032 4.527 0.035 0.000 0.334 16 F C 0.548 176.319 175.800 -0.048 0.000 1.078 16 F CA -0.615 57.361 58.000 -0.039 0.000 0.986 16 F CB 0.863 39.849 39.000 -0.024 0.000 1.362 16 F HN 0.254 nan 8.300 nan 0.000 0.498 17 D N -1.039 119.465 120.400 0.174 0.000 2.525 17 D HA 0.311 4.972 4.640 0.034 0.000 0.249 17 D C 0.700 177.030 176.300 0.050 0.000 1.072 17 D CA -0.599 53.439 54.000 0.064 0.000 1.067 17 D CB 0.659 41.481 40.800 0.036 0.000 1.282 17 D HN 0.382 nan 8.370 nan 0.000 0.587 18 Q N -0.823 118.986 119.800 0.014 0.000 2.156 18 Q HA -0.265 4.095 4.340 0.034 0.000 0.211 18 Q C 1.403 177.409 176.000 0.010 0.000 0.995 18 Q CA 2.089 57.896 55.803 0.007 0.000 0.877 18 Q CB -0.294 28.443 28.738 -0.001 0.000 0.920 18 Q HN 0.544 nan 8.270 nan 0.000 0.416 19 Q N -0.364 119.443 119.800 0.012 0.000 2.322 19 Q HA 0.127 4.488 4.340 0.034 0.000 0.203 19 Q C -0.356 175.640 176.000 -0.008 0.000 0.923 19 Q CA 0.354 56.159 55.803 0.003 0.000 0.949 19 Q CB 0.471 29.213 28.738 0.006 0.000 1.039 19 Q HN 0.338 nan 8.270 nan 0.000 0.496 20 Q N -2.784 117.014 119.800 -0.004 0.000 2.466 20 Q HA -0.209 4.151 4.340 0.034 0.000 0.248 20 Q C -0.540 175.440 176.000 -0.033 0.000 0.791 20 Q CA 0.692 56.447 55.803 -0.081 0.000 1.225 20 Q CB -1.936 26.710 28.738 -0.152 0.000 1.418 20 Q HN 0.414 nan 8.270 nan 0.000 0.662 21 A N 0.530 123.404 122.820 0.090 0.000 2.282 21 A HA 0.658 4.999 4.320 0.034 0.000 0.319 21 A C 0.379 178.116 177.584 0.255 0.000 1.121 21 A CA -0.535 51.580 52.037 0.130 0.000 0.836 21 A CB 0.574 19.615 19.000 0.067 0.000 1.146 21 A HN 0.254 nan 8.150 nan 0.000 0.494 22 L N 1.640 122.999 121.223 0.226 0.000 2.559 22 L HA 0.018 4.379 4.340 0.034 0.000 0.274 22 L C 0.133 177.031 176.870 0.048 0.000 1.205 22 L CA 0.132 55.060 54.840 0.147 0.000 0.907 22 L CB 0.219 42.324 42.059 0.075 0.000 1.153 22 L HN 0.651 nan 8.230 nan 0.000 0.490 23 D N 3.909 124.295 120.400 -0.024 0.000 2.456 23 D HA 0.105 4.766 4.640 0.034 0.000 0.219 23 D C 0.648 176.908 176.300 -0.066 0.000 1.126 23 D CA -0.237 53.738 54.000 -0.042 0.000 0.890 23 D CB 0.958 41.720 40.800 -0.062 0.000 1.025 23 D HN 0.435 nan 8.370 nan 0.000 0.511 24 K N 1.974 122.348 120.400 -0.044 0.000 2.116 24 K HA 0.005 4.346 4.320 0.034 0.000 0.203 24 K C 1.967 178.541 176.600 -0.044 0.000 1.052 24 K CA 0.698 56.956 56.287 -0.049 0.000 0.952 24 K CB 0.148 32.626 32.500 -0.038 0.000 0.729 24 K HN 0.344 nan 8.250 nan 0.000 0.446 25 A N 1.798 124.597 122.820 -0.035 0.000 1.869 25 A HA -0.264 4.076 4.320 0.034 0.000 0.218 25 A C 2.263 179.825 177.584 -0.036 0.000 1.203 25 A CA 2.497 54.516 52.037 -0.030 0.000 0.638 25 A CB -0.943 18.042 19.000 -0.025 0.000 0.831 25 A HN 0.249 nan 8.150 nan 0.000 0.450 26 S N -0.458 115.212 115.700 -0.049 0.000 2.382 26 S HA -0.132 4.359 4.470 0.034 0.000 0.228 26 S C 1.828 176.390 174.600 -0.063 0.000 1.027 26 S CA 1.305 59.470 58.200 -0.058 0.000 0.991 26 S CB -0.549 62.603 63.200 -0.080 0.000 0.823 26 S HN 0.531 nan 8.310 nan 0.000 0.469 27 L N 2.540 123.715 121.223 -0.080 0.000 1.990 27 L HA -0.141 4.220 4.340 0.034 0.000 0.213 27 L C 2.222 179.065 176.870 -0.045 0.000 1.072 27 L CA 1.810 56.601 54.840 -0.081 0.000 0.755 27 L CB -0.643 41.359 42.059 -0.095 0.000 0.889 27 L HN 0.125 nan 8.230 nan 0.000 0.432 28 R N -0.823 119.656 120.500 -0.036 0.000 2.083 28 R HA -0.150 4.210 4.340 0.034 0.000 0.237 28 R C 2.402 178.704 176.300 0.004 0.000 1.137 28 R CA 1.780 57.869 56.100 -0.020 0.000 0.951 28 R CB -0.471 29.817 30.300 -0.020 0.000 0.851 28 R HN 0.421 nan 8.270 nan 0.000 0.434 29 R N 0.492 120.996 120.500 0.008 0.000 2.082 29 R HA -0.156 4.205 4.340 0.034 0.000 0.234 29 R C 2.347 178.699 176.300 0.085 0.000 1.136 29 R CA 1.406 57.528 56.100 0.037 0.000 0.935 29 R CB -0.684 29.625 30.300 0.015 0.000 0.842 29 R HN 0.103 nan 8.270 nan 0.000 0.430 30 L N 1.067 122.327 121.223 0.061 0.000 2.081 30 L HA -0.184 4.176 4.340 0.034 0.000 0.212 30 L C 2.075 179.011 176.870 0.110 0.000 1.080 30 L CA 1.579 56.484 54.840 0.107 0.000 0.754 30 L CB -0.377 41.701 42.059 0.032 0.000 0.893 30 L HN -0.030 nan 8.230 nan 0.000 0.433 31 V N -0.878 119.066 119.914 0.050 0.000 2.358 31 V HA -0.256 3.885 4.120 0.034 0.000 0.246 31 V C 2.624 178.744 176.094 0.043 0.000 1.047 31 V CA 1.575 63.894 62.300 0.030 0.000 1.035 31 V CB -0.570 31.252 31.823 -0.002 0.000 0.658 31 V HN 0.489 nan 8.190 nan 0.000 0.452 32 Q N -1.013 118.825 119.800 0.063 0.000 2.083 32 Q HA -0.095 4.265 4.340 0.034 0.000 0.198 32 Q C 2.031 178.088 176.000 0.095 0.000 0.969 32 Q CA 1.397 57.238 55.803 0.063 0.000 0.838 32 Q CB -0.595 28.182 28.738 0.064 0.000 0.900 32 Q HN 0.655 nan 8.270 nan 0.000 0.436 33 F N 1.728 121.691 119.950 0.021 0.000 2.494 33 F HA -0.095 4.458 4.527 0.043 0.000 0.298 33 F C 1.495 177.333 175.800 0.063 0.000 1.106 33 F CA 0.863 58.889 58.000 0.043 0.000 1.452 33 F CB 0.058 39.087 39.000 0.049 0.000 1.085 33 F HN 0.103 nan 8.300 nan 0.000 0.569 34 N N 0.037 118.686 118.700 -0.085 0.000 2.402 34 N HA 0.012 4.773 4.740 0.034 0.000 0.174 34 N C 1.909 177.352 175.510 -0.111 0.000 1.027 34 N CA 0.963 53.934 53.050 -0.132 0.000 0.891 34 N CB 0.197 38.675 38.487 -0.016 0.000 1.016 34 N HN 0.323 nan 8.380 nan 0.000 0.439 35 I N 1.776 122.306 120.570 -0.068 0.000 2.133 35 I HA -0.257 3.934 4.170 0.034 0.000 0.238 35 I C 2.350 178.424 176.117 -0.071 0.000 1.074 35 I CA 1.258 62.528 61.300 -0.050 0.000 1.342 35 I CB -0.274 37.710 38.000 -0.027 0.000 1.053 35 I HN -0.002 nan 8.210 nan 0.000 0.404 36 Q N 0.136 119.887 119.800 -0.081 0.000 2.135 36 Q HA -0.307 4.054 4.340 0.034 0.000 0.204 36 Q C 2.218 178.137 176.000 -0.135 0.000 0.981 36 Q CA 1.730 57.484 55.803 -0.082 0.000 0.856 36 Q CB -0.222 28.495 28.738 -0.036 0.000 0.902 36 Q HN 0.477 nan 8.270 nan 0.000 0.425 37 Q N -0.616 119.031 119.800 -0.255 0.000 2.226 37 Q HA -0.130 4.231 4.340 0.034 0.000 0.204 37 Q C 0.544 176.516 176.000 -0.048 0.000 0.975 37 Q CA 1.198 56.869 55.803 -0.220 0.000 0.866 37 Q CB 0.108 28.599 28.738 -0.412 0.000 0.915 37 Q HN 0.473 nan 8.270 nan 0.000 0.440 38 G N 0.382 109.151 108.800 -0.052 0.000 2.141 38 G HA2 -0.208 3.772 3.960 0.034 0.000 0.164 38 G HA3 -0.208 3.772 3.960 0.034 0.000 0.164 38 G C -0.274 174.627 174.900 0.002 0.000 1.009 38 G CA -0.009 45.086 45.100 -0.009 0.000 0.677 38 G HN 0.329 nan 8.290 nan 0.000 0.508 39 I N 0.867 121.430 120.570 -0.012 0.000 2.720 39 I HA 0.366 4.556 4.170 0.034 0.000 0.287 39 I C 1.061 177.189 176.117 0.019 0.000 1.090 39 I CA -0.463 60.840 61.300 0.005 0.000 1.384 39 I CB 0.703 38.710 38.000 0.012 0.000 1.420 39 I HN 0.112 nan 8.210 nan 0.000 0.575 40 D N 4.774 125.198 120.400 0.040 0.000 2.355 40 D HA 0.191 4.851 4.640 0.034 0.000 0.218 40 D C 0.519 176.852 176.300 0.055 0.000 1.004 40 D CA 0.911 54.942 54.000 0.052 0.000 0.880 40 D CB 0.336 41.182 40.800 0.078 0.000 0.911 40 D HN 0.705 nan 8.370 nan 0.000 0.528 41 G N -0.492 108.341 108.800 0.054 0.000 2.317 41 G HA2 0.412 4.393 3.960 0.034 0.000 0.293 41 G HA3 0.412 4.393 3.960 0.034 0.000 0.293 41 G C -2.014 172.921 174.900 0.059 0.000 1.287 41 G CA -0.849 44.283 45.100 0.054 0.000 0.850 41 G HN 0.055 nan 8.290 nan 0.000 0.515 42 L N -0.686 120.576 121.223 0.065 0.000 2.465 42 L HA 0.585 4.946 4.340 0.034 0.000 0.257 42 L C -1.774 175.176 176.870 0.134 0.000 0.988 42 L CA -0.885 54.001 54.840 0.076 0.000 0.827 42 L CB 2.955 45.040 42.059 0.043 0.000 1.397 42 L HN 0.695 nan 8.230 nan 0.000 0.410 43 Y N 2.299 122.573 120.300 -0.042 0.000 2.426 43 Y HA 0.605 5.175 4.550 0.034 0.000 0.325 43 Y C -1.037 174.833 175.900 -0.050 0.000 0.989 43 Y CA -0.629 57.431 58.100 -0.067 0.000 1.284 43 Y CB 1.309 39.652 38.460 -0.195 0.000 1.104 43 Y HN 0.187 nan 8.280 nan 0.000 0.481 44 V N 4.724 124.524 119.914 -0.190 0.000 2.532 44 V HA 0.594 4.734 4.120 0.034 0.000 0.295 44 V C 0.837 176.799 176.094 -0.220 0.000 1.041 44 V CA -0.169 62.057 62.300 -0.124 0.000 0.926 44 V CB 1.302 33.142 31.823 0.029 0.000 0.992 44 V HN 1.017 nan 8.190 nan 0.000 0.457 45 G N 2.994 111.701 108.800 -0.155 0.000 2.198 45 G HA2 -0.153 3.827 3.960 0.034 0.000 0.260 45 G HA3 -0.153 3.827 3.960 0.034 0.000 0.260 45 G C 0.547 175.387 174.900 -0.099 0.000 1.025 45 G CA 0.221 45.243 45.100 -0.130 0.000 0.769 45 G HN 1.360 nan 8.290 nan 0.000 0.507 46 G N -0.650 108.056 108.800 -0.158 0.000 2.570 46 G HA2 0.497 4.477 3.960 0.034 0.000 0.276 46 G HA3 0.497 4.477 3.960 0.034 0.000 0.276 46 G C 1.341 176.094 174.900 -0.246 0.000 1.346 46 G CA 0.821 45.807 45.100 -0.189 0.000 1.034 46 G HN 0.667 nan 8.290 nan 0.000 0.512 47 S N -0.759 114.913 115.700 -0.045 0.000 2.374 47 S HA -0.178 4.312 4.470 0.034 0.000 0.227 47 S C 2.499 177.049 174.600 -0.083 0.000 1.037 47 S CA 2.058 60.332 58.200 0.123 0.000 1.024 47 S CB -0.462 62.952 63.200 0.356 0.000 0.861 47 S HN 0.666 nan 8.310 nan 0.000 0.456 48 T N 1.027 115.442 114.554 -0.232 0.000 2.951 48 T HA 0.038 4.409 4.350 0.034 0.000 0.268 48 T C 1.869 176.117 174.700 -0.753 0.000 1.073 48 T CA 1.068 62.740 62.100 -0.713 0.000 1.134 48 T CB -0.452 68.200 68.868 -0.359 0.000 0.884 48 T HN 0.532 nan 8.240 nan 0.000 0.479 49 G N 0.722 109.280 108.800 -0.403 0.000 2.920 49 G HA2 0.110 4.090 3.960 0.034 0.000 0.208 49 G HA3 0.110 4.090 3.960 0.034 0.000 0.208 49 G C 0.126 174.879 174.900 -0.245 0.000 1.159 49 G CA -0.175 44.736 45.100 -0.315 0.000 0.784 49 G HN 0.590 nan 8.290 nan 0.000 0.535 50 E N -1.636 118.420 120.200 -0.241 0.000 2.358 50 E HA -0.238 4.132 4.350 0.034 0.000 0.246 50 E C 1.511 178.086 176.600 -0.041 0.000 1.127 50 E CA 0.073 56.466 56.400 -0.012 0.000 0.726 50 E CB -1.603 28.200 29.700 0.172 0.000 1.272 50 E HN 0.480 nan 8.360 nan 0.000 0.390 51 A N -0.130 122.489 122.820 -0.335 0.000 1.933 51 A HA -0.098 4.243 4.320 0.034 0.000 0.218 51 A C 1.392 178.794 177.584 -0.303 0.000 1.175 51 A CA 1.372 53.136 52.037 -0.455 0.000 0.628 51 A CB -0.320 18.188 19.000 -0.821 0.000 0.814 51 A HN 0.306 nan 8.150 nan 0.000 0.444 52 F N -0.562 119.499 119.950 0.185 0.000 2.773 52 F HA 0.174 4.722 4.527 0.034 0.000 0.304 52 F C 1.404 177.294 175.800 0.150 0.000 1.129 52 F CA 0.354 58.468 58.000 0.190 0.000 1.378 52 F CB 0.006 39.138 39.000 0.220 0.000 1.095 52 F HN 0.116 nan 8.300 nan 0.000 0.565 53 V N -3.449 116.608 119.914 0.239 0.000 3.380 53 V HA 0.307 4.448 4.120 0.034 0.000 0.307 53 V C 0.207 176.358 176.094 0.096 0.000 1.434 53 V CA -0.305 62.090 62.300 0.158 0.000 1.075 53 V CB -0.738 31.178 31.823 0.155 0.000 0.954 53 V HN 0.112 nan 8.190 nan 0.000 0.444 54 Q N 1.558 121.423 119.800 0.109 0.000 2.257 54 Q HA 0.643 5.004 4.340 0.034 0.000 0.262 54 Q C 0.303 176.347 176.000 0.073 0.000 0.997 54 Q CA -0.154 55.703 55.803 0.090 0.000 0.873 54 Q CB 2.206 31.007 28.738 0.104 0.000 1.312 54 Q HN 0.650 nan 8.270 nan 0.000 0.450 55 S N 0.611 116.345 115.700 0.057 0.000 2.624 55 S HA 0.235 4.725 4.470 0.034 0.000 0.263 55 S C 1.149 175.773 174.600 0.040 0.000 1.287 55 S CA -0.616 57.612 58.200 0.046 0.000 0.990 55 S CB 0.425 63.645 63.200 0.034 0.000 0.950 55 S HN 0.666 nan 8.310 nan 0.000 0.561 56 L N 0.940 122.182 121.223 0.032 0.000 2.012 56 L HA -0.108 4.253 4.340 0.034 0.000 0.210 56 L C 3.096 179.980 176.870 0.023 0.000 1.073 56 L CA 1.699 56.552 54.840 0.021 0.000 0.748 56 L CB -1.085 40.981 42.059 0.012 0.000 0.891 56 L HN 0.909 nan 8.230 nan 0.000 0.431 57 S N -0.335 115.380 115.700 0.026 0.000 2.374 57 S HA -0.251 4.239 4.470 0.034 0.000 0.227 57 S C 1.825 176.444 174.600 0.032 0.000 1.037 57 S CA 1.822 60.041 58.200 0.031 0.000 1.024 57 S CB -0.109 63.107 63.200 0.027 0.000 0.861 57 S HN 0.431 nan 8.310 nan 0.000 0.456 58 E N 0.200 120.421 120.200 0.035 0.000 2.031 58 E HA -0.107 4.263 4.350 0.034 0.000 0.193 58 E C 2.457 179.071 176.600 0.023 0.000 0.994 58 E CA 1.079 57.504 56.400 0.042 0.000 0.800 58 E CB -0.144 29.599 29.700 0.072 0.000 0.752 58 E HN 0.445 nan 8.360 nan 0.000 0.447 59 R N 0.764 121.274 120.500 0.017 0.000 2.159 59 R HA -0.171 4.190 4.340 0.034 0.000 0.237 59 R C 2.117 178.410 176.300 -0.011 0.000 1.131 59 R CA 1.276 57.369 56.100 -0.012 0.000 0.982 59 R CB -0.127 30.160 30.300 -0.022 0.000 0.868 59 R HN 0.261 nan 8.270 nan 0.000 0.453 60 E N 0.520 120.736 120.200 0.026 0.000 2.046 60 E HA -0.173 4.198 4.350 0.034 0.000 0.190 60 E C 2.003 178.601 176.600 -0.004 0.000 0.982 60 E CA 0.906 57.360 56.400 0.091 0.000 0.800 60 E CB 0.089 29.879 29.700 0.150 0.000 0.756 60 E HN 0.370 nan 8.360 nan 0.000 0.449 61 Q N 0.214 119.999 119.800 -0.024 0.000 2.226 61 Q HA -0.129 4.231 4.340 0.034 0.000 0.204 61 Q C 2.189 178.120 176.000 -0.113 0.000 0.975 61 Q CA 1.068 56.825 55.803 -0.076 0.000 0.866 61 Q CB 0.086 28.804 28.738 -0.033 0.000 0.915 61 Q HN 0.140 nan 8.270 nan 0.000 0.440 62 V N 0.699 120.562 119.914 -0.085 0.000 2.323 62 V HA -0.224 3.917 4.120 0.034 0.000 0.244 62 V C 2.134 178.181 176.094 -0.078 0.000 1.041 62 V CA 1.351 63.601 62.300 -0.083 0.000 1.025 62 V CB -0.544 31.234 31.823 -0.075 0.000 0.656 62 V HN 0.331 nan 8.190 nan 0.000 0.451 63 L N 0.046 121.224 121.223 -0.075 0.000 2.013 63 L HA -0.276 4.085 4.340 0.034 0.000 0.212 63 L C 2.632 179.453 176.870 -0.082 0.000 1.073 63 L CA 2.298 57.145 54.840 0.011 0.000 0.753 63 L CB -0.640 41.414 42.059 -0.010 0.000 0.890 63 L HN 0.452 nan 8.230 nan 0.000 0.432 64 E N 0.720 120.580 120.200 -0.567 0.000 2.031 64 E HA -0.240 4.130 4.350 0.034 0.000 0.193 64 E C 2.343 178.756 176.600 -0.312 0.000 0.994 64 E CA 1.423 57.313 56.400 -0.851 0.000 0.800 64 E CB -0.082 29.036 29.700 -0.971 0.000 0.752 64 E HN 0.431 nan 8.360 nan 0.000 0.447 65 I N 0.609 121.054 120.570 -0.207 0.000 2.194 65 I HA -0.295 3.896 4.170 0.034 0.000 0.246 65 I C 2.408 178.475 176.117 -0.083 0.000 1.093 65 I CA 0.929 62.158 61.300 -0.117 0.000 1.355 65 I CB -0.172 37.773 38.000 -0.090 0.000 1.046 65 I HN 0.100 nan 8.210 nan 0.000 0.413 66 V N 0.773 120.654 119.914 -0.056 0.000 2.427 66 V HA -0.228 3.912 4.120 0.034 0.000 0.248 66 V C 2.637 178.674 176.094 -0.095 0.000 1.051 66 V CA 1.788 64.063 62.300 -0.042 0.000 1.048 66 V CB -0.886 30.948 31.823 0.017 0.000 0.666 66 V HN 0.486 nan 8.190 nan 0.000 0.456 67 A N -0.472 122.284 122.820 -0.108 0.000 1.930 67 A HA -0.238 4.102 4.320 0.034 0.000 0.217 67 A C 2.174 179.697 177.584 -0.102 0.000 1.175 67 A CA 1.778 53.707 52.037 -0.180 0.000 0.627 67 A CB -0.480 18.450 19.000 -0.117 0.000 0.815 67 A HN 0.573 nan 8.150 nan 0.000 0.443 68 E N -0.512 119.642 120.200 -0.077 0.000 2.097 68 E HA -0.209 4.161 4.350 0.034 0.000 0.196 68 E C 1.822 178.390 176.600 -0.052 0.000 1.000 68 E CA 1.535 57.901 56.400 -0.057 0.000 0.804 68 E CB 0.004 29.669 29.700 -0.059 0.000 0.740 68 E HN 0.578 nan 8.360 nan 0.000 0.454 69 E N -1.556 118.609 120.200 -0.058 0.000 2.340 69 E HA 0.043 4.414 4.350 0.034 0.000 0.194 69 E C 1.116 177.687 176.600 -0.049 0.000 0.996 69 E CA 0.692 57.066 56.400 -0.044 0.000 0.869 69 E CB 0.965 30.643 29.700 -0.037 0.000 0.835 69 E HN 0.219 nan 8.360 nan 0.000 0.493 70 A N 0.738 123.514 122.820 -0.073 0.000 2.340 70 A HA 0.102 4.442 4.320 0.034 0.000 0.213 70 A C 1.028 178.549 177.584 -0.105 0.000 1.299 70 A CA -0.283 51.705 52.037 -0.081 0.000 0.994 70 A CB 0.265 19.213 19.000 -0.086 0.000 1.132 70 A HN -0.011 nan 8.150 nan 0.000 0.519 71 K N 0.327 120.648 120.400 -0.131 0.000 2.489 71 K HA 0.306 4.647 4.320 0.034 0.000 0.278 71 K C 1.266 177.819 176.600 -0.079 0.000 1.000 71 K CA 1.241 57.448 56.287 -0.134 0.000 1.012 71 K CB -0.043 32.380 32.500 -0.128 0.000 0.903 71 K HN 0.929 nan 8.250 nan 0.000 0.485 72 G N 3.570 112.328 108.800 -0.069 0.000 2.284 72 G HA2 -0.328 3.652 3.960 0.034 0.000 0.247 72 G HA3 -0.328 3.652 3.960 0.034 0.000 0.247 72 G C 0.830 175.709 174.900 -0.035 0.000 1.012 72 G CA 0.613 45.688 45.100 -0.042 0.000 0.618 72 G HN 0.689 nan 8.290 nan 0.000 0.521 73 K N 0.163 120.537 120.400 -0.043 0.000 2.202 73 K HA 0.419 4.760 4.320 0.034 0.000 0.201 73 K C 1.444 178.027 176.600 -0.029 0.000 1.051 73 K CA 1.290 57.558 56.287 -0.032 0.000 0.977 73 K CB 0.469 32.949 32.500 -0.034 0.000 0.792 73 K HN 0.749 nan 8.250 nan 0.000 0.469 74 I N -2.135 118.412 120.570 -0.039 0.000 3.279 74 I HA 0.428 4.618 4.170 0.034 0.000 0.315 74 I C -1.278 174.820 176.117 -0.033 0.000 1.225 74 I CA -1.344 59.941 61.300 -0.025 0.000 0.947 74 I CB 1.502 39.493 38.000 -0.016 0.000 1.293 74 I HN -0.357 nan 8.210 nan 0.000 0.468 75 K N 2.226 122.625 120.400 -0.002 0.000 2.436 75 K HA 0.525 4.865 4.320 0.034 0.000 0.275 75 K C -0.845 175.746 176.600 -0.015 0.000 0.999 75 K CA 0.055 56.347 56.287 0.009 0.000 0.980 75 K CB 0.177 32.714 32.500 0.062 0.000 0.919 75 K HN 0.533 nan 8.250 nan 0.000 0.484 76 L N 4.188 125.386 121.223 -0.042 0.000 2.439 76 L HA 0.508 4.869 4.340 0.034 0.000 0.270 76 L C -0.237 176.738 176.870 0.175 0.000 0.972 76 L CA -0.483 54.316 54.840 -0.068 0.000 0.836 76 L CB 1.290 43.031 42.059 -0.530 0.000 1.255 76 L HN 0.380 nan 8.230 nan 0.000 0.404 77 I N 2.409 123.128 120.570 0.249 0.000 2.460 77 I HA 0.668 4.858 4.170 0.034 0.000 0.298 77 I C 0.193 176.378 176.117 0.113 0.000 0.989 77 I CA -0.512 60.926 61.300 0.229 0.000 1.173 77 I CB 2.082 40.178 38.000 0.160 0.000 1.338 77 I HN 0.684 nan 8.210 nan 0.000 0.456 78 A N 4.318 127.080 122.820 -0.097 0.000 2.277 78 A HA 0.363 4.704 4.320 0.034 0.000 0.318 78 A C -0.746 176.605 177.584 -0.388 0.000 1.339 78 A CA -0.429 51.332 52.037 -0.460 0.000 0.875 78 A CB -0.078 18.375 19.000 -0.912 0.000 1.158 78 A HN 0.786 nan 8.150 nan 0.000 0.514 79 H N 2.591 121.338 119.070 -0.539 0.000 2.944 79 H HA 0.338 4.913 4.556 0.033 0.000 0.278 79 H C 0.673 175.889 175.328 -0.185 0.000 1.083 79 H CA 0.606 56.436 56.048 -0.364 0.000 1.479 79 H CB 0.954 30.488 29.762 -0.380 0.000 1.486 79 H HN 0.512 nan 8.280 nan 0.000 0.493 80 V N 2.445 121.979 119.914 -0.634 0.000 3.427 80 V HA 0.474 4.615 4.120 0.034 0.000 0.305 80 V C 1.099 176.964 176.094 -0.381 0.000 1.412 80 V CA 0.092 62.150 62.300 -0.404 0.000 1.086 80 V CB -0.107 31.555 31.823 -0.268 0.000 0.964 80 V HN 0.772 nan 8.190 nan 0.000 0.439 81 G N -0.051 108.316 108.800 -0.722 0.000 2.398 81 G HA2 0.428 4.409 3.960 0.034 0.000 0.246 81 G HA3 0.428 4.409 3.960 0.034 0.000 0.246 81 G C -0.328 174.725 174.900 0.256 0.000 1.289 81 G CA 0.453 45.475 45.100 -0.131 0.000 0.869 81 G HN 0.562 nan 8.290 nan 0.000 0.543 82 C N 0.799 120.244 119.300 0.242 0.000 3.285 82 C HA 0.382 4.862 4.460 0.034 0.000 0.320 82 C C 1.643 176.659 174.990 0.043 0.000 1.411 82 C CA -0.549 58.604 59.018 0.226 0.000 1.429 82 C CB 1.384 29.198 27.740 0.123 0.000 1.812 82 C HN 0.532 nan 8.230 nan 0.000 0.454 83 V N 1.189 121.009 119.914 -0.157 0.000 2.323 83 V HA -0.071 4.070 4.120 0.034 0.000 0.244 83 V C 1.398 177.416 176.094 -0.126 0.000 1.041 83 V CA 2.099 64.214 62.300 -0.308 0.000 1.025 83 V CB -0.370 31.200 31.823 -0.423 0.000 0.656 83 V HN 0.901 nan 8.190 nan 0.000 0.451 84 S N -0.174 115.503 115.700 -0.039 0.000 2.531 84 S HA 0.008 4.499 4.470 0.034 0.000 0.279 84 S C 1.355 175.983 174.600 0.047 0.000 1.305 84 S CA 0.249 58.439 58.200 -0.017 0.000 1.058 84 S CB 1.245 64.436 63.200 -0.015 0.000 0.899 84 S HN 0.475 nan 8.310 nan 0.000 0.493 85 T N 5.084 119.650 114.554 0.021 0.000 2.746 85 T HA -0.055 4.316 4.350 0.034 0.000 0.267 85 T C 2.084 176.709 174.700 -0.125 0.000 1.039 85 T CA 1.528 63.581 62.100 -0.078 0.000 1.142 85 T CB -0.558 68.245 68.868 -0.108 0.000 0.866 85 T HN 0.812 nan 8.240 nan 0.000 0.444 86 A N 1.403 124.173 122.820 -0.083 0.000 1.968 86 A HA -0.060 4.281 4.320 0.034 0.000 0.217 86 A C 2.200 179.745 177.584 -0.065 0.000 1.169 86 A CA 1.223 53.214 52.037 -0.077 0.000 0.638 86 A CB -0.401 18.564 19.000 -0.060 0.000 0.812 86 A HN 0.519 nan 8.150 nan 0.000 0.446 87 E N -0.101 120.071 120.200 -0.046 0.000 2.106 87 E HA -0.100 4.270 4.350 0.034 0.000 0.192 87 E C 2.179 178.748 176.600 -0.052 0.000 0.984 87 E CA 1.251 57.632 56.400 -0.032 0.000 0.806 87 E CB -0.094 29.604 29.700 -0.004 0.000 0.750 87 E HN 0.577 nan 8.360 nan 0.000 0.458 88 S N 0.892 116.551 115.700 -0.069 0.000 2.406 88 S HA -0.142 4.349 4.470 0.034 0.000 0.228 88 S C 1.875 176.388 174.600 -0.144 0.000 1.020 88 S CA 0.847 58.982 58.200 -0.108 0.000 0.965 88 S CB -0.051 63.062 63.200 -0.145 0.000 0.798 88 S HN 0.256 nan 8.310 nan 0.000 0.488 89 Q N 0.922 120.636 119.800 -0.143 0.000 2.083 89 Q HA -0.100 4.261 4.340 0.034 0.000 0.198 89 Q C 2.348 178.283 176.000 -0.109 0.000 0.969 89 Q CA 0.988 56.712 55.803 -0.133 0.000 0.838 89 Q CB -0.211 28.453 28.738 -0.124 0.000 0.900 89 Q HN 0.582 nan 8.270 nan 0.000 0.436 90 Q N 0.774 120.519 119.800 -0.091 0.000 2.152 90 Q HA -0.212 4.148 4.340 0.034 0.000 0.206 90 Q C 1.822 177.766 176.000 -0.094 0.000 0.985 90 Q CA 1.262 57.017 55.803 -0.080 0.000 0.863 90 Q CB -0.000 28.704 28.738 -0.057 0.000 0.904 90 Q HN 0.404 nan 8.270 nan 0.000 0.422 91 L N -0.479 120.682 121.223 -0.102 0.000 2.202 91 L HA 0.038 4.399 4.340 0.034 0.000 0.205 91 L C 2.570 179.345 176.870 -0.158 0.000 1.083 91 L CA 0.501 55.270 54.840 -0.119 0.000 0.790 91 L CB -0.531 41.456 42.059 -0.119 0.000 0.942 91 L HN 0.257 nan 8.230 nan 0.000 0.452 92 A N 0.717 123.445 122.820 -0.153 0.000 1.892 92 A HA -0.272 4.069 4.320 0.034 0.000 0.218 92 A C 2.536 180.036 177.584 -0.140 0.000 1.188 92 A CA 2.137 54.087 52.037 -0.145 0.000 0.631 92 A CB -0.762 18.165 19.000 -0.122 0.000 0.822 92 A HN 0.398 nan 8.150 nan 0.000 0.447 93 A N -0.728 122.012 122.820 -0.134 0.000 1.877 93 A HA -0.083 4.257 4.320 0.034 0.000 0.216 93 A C 2.452 179.911 177.584 -0.208 0.000 1.186 93 A CA 2.166 54.119 52.037 -0.140 0.000 0.620 93 A CB -0.954 17.975 19.000 -0.120 0.000 0.822 93 A HN 0.486 nan 8.150 nan 0.000 0.443 94 S N -0.057 115.500 115.700 -0.238 0.000 2.382 94 S HA -0.054 4.436 4.470 0.034 0.000 0.228 94 S C 2.271 176.564 174.600 -0.513 0.000 1.027 94 S CA 1.185 59.135 58.200 -0.416 0.000 0.991 94 S CB -0.471 62.593 63.200 -0.226 0.000 0.823 94 S HN 0.806 nan 8.310 nan 0.000 0.469 95 A N 1.856 124.519 122.820 -0.261 0.000 1.902 95 A HA -0.141 4.200 4.320 0.034 0.000 0.217 95 A C 2.000 179.585 177.584 0.003 0.000 1.181 95 A CA 2.005 53.927 52.037 -0.191 0.000 0.623 95 A CB -0.524 18.245 19.000 -0.384 0.000 0.818 95 A HN 0.381 nan 8.150 nan 0.000 0.443 96 K N 0.300 120.658 120.400 -0.070 0.000 1.985 96 K HA -0.114 4.226 4.320 0.034 0.000 0.210 96 K C 2.077 178.647 176.600 -0.049 0.000 1.047 96 K CA 1.808 58.080 56.287 -0.024 0.000 0.932 96 K CB -0.486 31.981 32.500 -0.055 0.000 0.716 96 K HN 0.413 nan 8.250 nan 0.000 0.439 97 R N -0.793 119.600 120.500 -0.177 0.000 2.134 97 R HA -0.207 4.154 4.340 0.034 0.000 0.248 97 R C 2.010 178.246 176.300 -0.107 0.000 1.143 97 R CA 2.111 58.076 56.100 -0.225 0.000 0.957 97 R CB -0.678 29.353 30.300 -0.448 0.000 0.867 97 R HN 0.356 nan 8.270 nan 0.000 0.441 98 Y N -0.739 119.626 120.300 0.109 0.000 2.529 98 Y HA 0.201 4.771 4.550 0.033 0.000 0.290 98 Y C 1.506 177.492 175.900 0.144 0.000 1.177 98 Y CA 0.416 58.605 58.100 0.149 0.000 1.305 98 Y CB 0.016 38.618 38.460 0.236 0.000 1.047 98 Y HN 0.347 nan 8.280 nan 0.000 0.522 99 G N -0.767 108.178 108.800 0.241 0.000 2.140 99 G HA2 -0.272 3.708 3.960 0.034 0.000 0.211 99 G HA3 -0.272 3.708 3.960 0.034 0.000 0.211 99 G C -0.127 174.824 174.900 0.086 0.000 1.013 99 G CA -0.620 44.554 45.100 0.122 0.000 0.705 99 G HN 0.161 nan 8.290 nan 0.000 0.508 100 F N 0.777 120.753 119.950 0.043 0.000 2.410 100 F HA 0.362 4.909 4.527 0.034 0.000 0.334 100 F C 1.600 177.413 175.800 0.021 0.000 1.134 100 F CA 0.129 58.148 58.000 0.032 0.000 1.227 100 F CB 0.715 39.731 39.000 0.027 0.000 1.194 100 F HN 0.044 nan 8.300 nan 0.000 0.571 101 D N 1.140 121.630 120.400 0.149 0.000 2.305 101 D HA 0.214 4.874 4.640 0.034 0.000 0.206 101 D C 0.300 176.683 176.300 0.137 0.000 0.974 101 D CA 0.770 54.832 54.000 0.104 0.000 0.871 101 D CB 0.409 41.245 40.800 0.060 0.000 0.947 101 D HN 0.413 nan 8.370 nan 0.000 0.516 102 A N 0.027 122.964 122.820 0.196 0.000 2.564 102 A HA 0.559 4.900 4.320 0.034 0.000 0.291 102 A C -1.214 176.439 177.584 0.116 0.000 1.102 102 A CA -0.630 51.495 52.037 0.146 0.000 0.660 102 A CB 1.281 20.367 19.000 0.144 0.000 1.283 102 A HN -0.025 nan 8.150 nan 0.000 0.430 103 V N -2.420 117.532 119.914 0.063 0.000 3.102 103 V HA 0.997 5.137 4.120 0.034 0.000 0.312 103 V C -0.239 175.886 176.094 0.052 0.000 1.135 103 V CA -0.303 61.991 62.300 -0.010 0.000 1.022 103 V CB 1.439 33.232 31.823 -0.050 0.000 1.056 103 V HN 1.581 nan 8.190 nan 0.000 0.436 104 S N 0.425 116.140 115.700 0.026 0.000 2.618 104 S HA 0.951 5.442 4.470 0.034 0.000 0.277 104 S C -0.900 173.818 174.600 0.197 0.000 1.138 104 S CA 0.051 58.379 58.200 0.214 0.000 0.844 104 S CB 1.819 65.240 63.200 0.369 0.000 1.127 104 S HN 2.343 nan 8.310 nan 0.000 0.474 105 A N 1.988 125.095 122.820 0.479 0.000 2.500 105 A HA 0.577 4.917 4.320 0.034 0.000 0.288 105 A C -0.612 177.407 177.584 0.724 0.000 1.045 105 A CA -0.442 51.849 52.037 0.423 0.000 0.830 105 A CB 0.832 19.944 19.000 0.187 0.000 1.337 105 A HN 0.999 nan 8.150 nan 0.000 0.400 106 V N 3.072 123.496 119.914 0.851 0.000 2.901 106 V HA 0.323 4.464 4.120 0.034 0.000 0.307 106 V C 1.241 177.542 176.094 0.344 0.000 1.084 106 V CA 1.114 63.604 62.300 0.318 0.000 1.184 106 V CB 1.016 32.812 31.823 -0.046 0.000 0.941 106 V HN 1.449 nan 8.190 nan 0.000 0.493 107 T N 6.815 121.553 114.554 0.308 0.000 2.933 107 T HA 0.172 4.543 4.350 0.034 0.000 0.306 107 T C -2.319 172.570 174.700 0.316 0.000 1.045 107 T CA -0.868 61.449 62.100 0.361 0.000 1.143 107 T CB 0.628 69.689 68.868 0.323 0.000 1.003 107 T HN 0.713 nan 8.240 nan 0.000 0.540 108 P HA 0.349 nan 4.420 nan 0.000 0.275 108 P C -0.698 176.751 177.300 0.247 0.000 1.227 108 P CA -0.508 62.568 63.100 -0.039 0.000 0.781 108 P CB 0.402 31.729 31.700 -0.621 0.000 0.906 109 F N 0.568 120.605 119.950 0.144 0.000 2.691 109 F HA 0.592 5.139 4.527 0.034 0.000 0.334 109 F C 1.066 176.895 175.800 0.049 0.000 1.107 109 F CA -1.238 56.801 58.000 0.065 0.000 0.991 109 F CB 0.275 39.254 39.000 -0.035 0.000 1.400 109 F HN 0.476 nan 8.300 nan 0.000 0.503 110 Y N -1.005 119.326 120.300 0.052 0.000 2.761 110 Y HA -0.342 4.228 4.550 0.034 0.000 0.473 110 Y C -0.686 174.981 175.900 -0.388 0.000 1.216 110 Y CA 1.177 59.157 58.100 -0.200 0.000 2.645 110 Y CB -1.682 36.561 38.460 -0.362 0.000 1.109 110 Y HN 0.587 nan 8.280 nan 0.000 0.585 111 Y N 4.019 124.252 120.300 -0.111 0.000 2.336 111 Y HA 0.439 5.010 4.550 0.034 0.000 0.331 111 Y C -1.946 173.522 175.900 -0.720 0.000 1.211 111 Y CA -2.082 55.750 58.100 -0.448 0.000 1.346 111 Y CB -0.248 37.831 38.460 -0.635 0.000 1.271 111 Y HN -0.019 nan 8.280 nan 0.000 0.538 112 P HA 0.138 nan 4.420 nan 0.000 0.276 112 P C -1.187 175.870 177.300 -0.404 0.000 1.253 112 P CA 0.072 63.008 63.100 -0.273 0.000 0.766 112 P CB 0.230 31.867 31.700 -0.104 0.000 0.845 113 F N 0.339 120.317 119.950 0.046 0.000 2.523 113 F HA 0.442 4.989 4.527 0.034 0.000 0.329 113 F C 1.233 177.094 175.800 0.102 0.000 1.061 113 F CA -0.710 57.256 58.000 -0.056 0.000 0.967 113 F CB 0.985 39.770 39.000 -0.358 0.000 1.218 113 F HN 0.198 nan 8.300 nan 0.000 0.480 114 S N 0.886 116.768 115.700 0.304 0.000 2.645 114 S HA 0.194 4.684 4.470 0.034 0.000 0.266 114 S C 0.658 175.536 174.600 0.464 0.000 1.258 114 S CA -0.430 57.956 58.200 0.311 0.000 0.990 114 S CB 0.411 63.732 63.200 0.202 0.000 0.967 114 S HN 0.579 nan 8.310 nan 0.000 0.556 115 F N 0.961 121.074 119.950 0.271 0.000 2.293 115 F HA 0.031 4.577 4.527 0.033 0.000 0.300 115 F C 2.300 178.233 175.800 0.221 0.000 1.086 115 F CA 1.547 59.704 58.000 0.262 0.000 1.375 115 F CB -0.458 38.622 39.000 0.134 0.000 1.045 115 F HN 0.943 nan 8.300 nan 0.000 0.516 116 E N 0.236 120.476 120.200 0.066 0.000 2.047 116 E HA -0.232 4.138 4.350 0.034 0.000 0.191 116 E C 1.985 178.554 176.600 -0.052 0.000 0.987 116 E CA 1.645 58.015 56.400 -0.050 0.000 0.799 116 E CB -0.260 29.459 29.700 0.031 0.000 0.752 116 E HN 0.575 nan 8.360 nan 0.000 0.449 117 E N -0.710 119.493 120.200 0.005 0.000 2.110 117 E HA -0.204 4.166 4.350 0.034 0.000 0.193 117 E C 2.001 178.518 176.600 -0.138 0.000 0.988 117 E CA 1.289 57.644 56.400 -0.075 0.000 0.804 117 E CB -0.140 29.517 29.700 -0.070 0.000 0.745 117 E HN 0.454 nan 8.360 nan 0.000 0.458 118 H N -0.699 118.347 119.070 -0.040 0.000 2.353 118 H HA -0.117 4.460 4.556 0.034 0.000 0.300 118 H C 2.170 177.535 175.328 0.063 0.000 1.090 118 H CA 1.567 57.615 56.048 -0.001 0.000 1.327 118 H CB -0.087 29.754 29.762 0.132 0.000 1.383 118 H HN 0.189 nan 8.280 nan 0.000 0.508 119 C N 0.290 119.605 119.300 0.024 0.000 2.446 119 C HA -0.099 4.382 4.460 0.034 0.000 0.277 119 C C 2.218 177.240 174.990 0.054 0.000 1.275 119 C CA 0.803 59.824 59.018 0.005 0.000 1.727 119 C CB -0.333 27.263 27.740 -0.240 0.000 2.010 119 C HN 0.626 nan 8.230 nan 0.000 0.486 120 D N -0.573 119.822 120.400 -0.008 0.000 2.178 120 D HA -0.116 4.545 4.640 0.034 0.000 0.202 120 D C 1.736 178.018 176.300 -0.031 0.000 0.974 120 D CA 1.263 55.249 54.000 -0.024 0.000 0.841 120 D CB -0.610 40.160 40.800 -0.051 0.000 0.953 120 D HN 0.619 nan 8.370 nan 0.000 0.478 121 H N -0.408 118.567 119.070 -0.159 0.000 2.289 121 H HA -0.206 4.371 4.556 0.033 0.000 0.296 121 H C 1.626 176.852 175.328 -0.171 0.000 1.091 121 H CA 1.851 57.753 56.048 -0.244 0.000 1.274 121 H CB -0.313 29.213 29.762 -0.394 0.000 1.364 121 H HN 0.146 nan 8.280 nan 0.000 0.490 122 Y N 0.103 120.400 120.300 -0.005 0.000 2.373 122 Y HA -0.029 4.542 4.550 0.035 0.000 0.293 122 Y C 2.757 178.618 175.900 -0.065 0.000 1.129 122 Y CA 1.080 59.162 58.100 -0.030 0.000 1.226 122 Y CB -0.119 38.370 38.460 0.048 0.000 1.000 122 Y HN 0.127 nan 8.280 nan 0.000 0.549 123 R N -0.386 120.162 120.500 0.080 0.000 2.062 123 R HA -0.133 4.227 4.340 0.034 0.000 0.231 123 R C 2.537 178.818 176.300 -0.030 0.000 1.136 123 R CA 1.275 57.385 56.100 0.017 0.000 0.948 123 R CB -0.625 29.675 30.300 -0.001 0.000 0.845 123 R HN 0.280 nan 8.270 nan 0.000 0.430 124 A N 0.879 123.653 122.820 -0.077 0.000 1.940 124 A HA -0.167 4.173 4.320 0.034 0.000 0.219 124 A C 2.122 179.630 177.584 -0.126 0.000 1.176 124 A CA 1.413 53.384 52.037 -0.110 0.000 0.631 124 A CB -0.534 18.378 19.000 -0.147 0.000 0.814 124 A HN 0.231 nan 8.150 nan 0.000 0.446 125 I N -0.739 119.735 120.570 -0.160 0.000 2.286 125 I HA -0.175 4.016 4.170 0.034 0.000 0.245 125 I C 2.192 178.271 176.117 -0.063 0.000 1.104 125 I CA 0.978 62.190 61.300 -0.147 0.000 1.397 125 I CB -0.260 37.627 38.000 -0.188 0.000 1.072 125 I HN 0.252 nan 8.210 nan 0.000 0.417 126 I N 0.589 121.150 120.570 -0.014 0.000 2.335 126 I HA -0.321 3.869 4.170 0.034 0.000 0.251 126 I C 2.302 178.411 176.117 -0.013 0.000 1.129 126 I CA 1.370 62.674 61.300 0.007 0.000 1.402 126 I CB -0.351 37.667 38.000 0.029 0.000 1.069 126 I HN 0.367 nan 8.210 nan 0.000 0.424 127 D N 0.359 120.742 120.400 -0.029 0.000 2.091 127 D HA -0.122 4.538 4.640 0.034 0.000 0.199 127 D C 2.090 178.364 176.300 -0.044 0.000 0.980 127 D CA 1.290 55.270 54.000 -0.034 0.000 0.831 127 D CB 0.261 41.037 40.800 -0.039 0.000 0.987 127 D HN 0.205 nan 8.370 nan 0.000 0.460 128 S N 0.349 116.012 115.700 -0.061 0.000 2.507 128 S HA -0.017 4.474 4.470 0.034 0.000 0.235 128 S C 1.924 176.485 174.600 -0.066 0.000 0.988 128 S CA 0.655 58.814 58.200 -0.069 0.000 0.944 128 S CB 0.106 63.254 63.200 -0.087 0.000 0.762 128 S HN 0.383 nan 8.310 nan 0.000 0.526 129 A N 1.323 124.110 122.820 -0.055 0.000 2.066 129 A HA 0.051 4.392 4.320 0.034 0.000 0.218 129 A C 0.990 178.558 177.584 -0.027 0.000 1.157 129 A CA 0.861 52.873 52.037 -0.043 0.000 0.670 129 A CB -0.387 18.598 19.000 -0.026 0.000 0.804 129 A HN 0.372 nan 8.150 nan 0.000 0.453 130 D N -3.008 117.377 120.400 -0.026 0.000 2.689 130 D HA -0.119 4.542 4.640 0.034 0.000 0.237 130 D C 0.881 177.177 176.300 -0.007 0.000 1.148 130 D CA 1.925 55.913 54.000 -0.019 0.000 0.656 130 D CB -1.475 39.309 40.800 -0.027 0.000 1.050 130 D HN 1.330 nan 8.370 nan 0.000 0.426 131 G N -1.767 107.034 108.800 0.000 0.000 2.253 131 G HA2 -0.225 3.755 3.960 0.034 0.000 0.209 131 G HA3 -0.225 3.755 3.960 0.034 0.000 0.209 131 G C 0.142 175.054 174.900 0.020 0.000 0.997 131 G CA -0.058 45.048 45.100 0.009 0.000 0.640 131 G HN 0.456 nan 8.290 nan 0.000 0.496 132 L N 3.507 124.744 121.223 0.024 0.000 2.416 132 L HA 0.469 4.829 4.340 0.034 0.000 0.272 132 L C -1.225 175.671 176.870 0.044 0.000 1.161 132 L CA -1.346 53.519 54.840 0.042 0.000 0.845 132 L CB 0.266 42.355 42.059 0.050 0.000 1.119 132 L HN 0.070 nan 8.230 nan 0.000 0.464 133 P HA 0.255 nan 4.420 nan 0.000 0.282 133 P C -0.989 176.356 177.300 0.075 0.000 1.249 133 P CA -0.753 62.382 63.100 0.058 0.000 0.806 133 P CB 1.250 32.987 31.700 0.062 0.000 0.984 134 M N 3.343 122.987 119.600 0.072 0.000 2.238 134 M HA 0.311 4.811 4.480 0.034 0.000 0.350 134 M C -1.463 174.901 176.300 0.108 0.000 1.138 134 M CA -0.509 54.847 55.300 0.093 0.000 1.040 134 M CB 1.000 33.653 32.600 0.088 0.000 1.639 134 M HN -0.017 nan 8.290 nan 0.000 0.451 135 V N 6.285 126.292 119.914 0.155 0.000 2.353 135 V HA 0.246 4.387 4.120 0.034 0.000 0.264 135 V C -0.002 176.216 176.094 0.207 0.000 1.049 135 V CA -0.849 61.561 62.300 0.184 0.000 0.896 135 V CB 0.635 32.587 31.823 0.215 0.000 1.025 135 V HN 0.747 nan 8.190 nan 0.000 0.475 136 V N 6.255 126.228 119.914 0.097 0.000 2.584 136 V HA -0.069 4.072 4.120 0.034 0.000 0.303 136 V C -0.122 176.146 176.094 0.290 0.000 1.035 136 V CA 0.412 62.755 62.300 0.073 0.000 1.172 136 V CB 0.138 31.872 31.823 -0.149 0.000 0.896 136 V HN 0.716 nan 8.190 nan 0.000 0.486 137 Y N 7.118 127.596 120.300 0.295 0.000 2.369 137 Y HA 0.367 4.941 4.550 0.039 0.000 0.337 137 Y C 0.101 176.133 175.900 0.220 0.000 0.961 137 Y CA -1.742 56.511 58.100 0.256 0.000 1.186 137 Y CB 0.917 39.598 38.460 0.367 0.000 1.139 137 Y HN 0.744 nan 8.280 nan 0.000 0.494 138 N N 7.384 126.372 118.700 0.479 0.000 2.479 138 N HA 0.374 5.135 4.740 0.034 0.000 0.261 138 N C -1.566 174.048 175.510 0.174 0.000 0.979 138 N CA -0.264 52.926 53.050 0.233 0.000 0.930 138 N CB 0.780 39.366 38.487 0.165 0.000 1.172 138 N HN 0.791 nan 8.380 nan 0.000 0.499 139 I N 6.022 126.610 120.570 0.030 0.000 2.796 139 I HA 0.335 4.526 4.170 0.034 0.000 0.277 139 I C -2.192 173.918 176.117 -0.012 0.000 1.331 139 I CA -2.214 59.085 61.300 -0.003 0.000 0.983 139 I CB 1.621 39.592 38.000 -0.048 0.000 1.410 139 I HN 0.447 nan 8.210 nan 0.000 0.561 140 P HA -0.138 nan 4.420 nan 0.000 0.216 140 P C 1.570 178.886 177.300 0.027 0.000 1.150 140 P CA 1.433 64.553 63.100 0.034 0.000 0.837 140 P CB 0.215 31.947 31.700 0.053 0.000 0.786 141 A N -0.932 121.928 122.820 0.066 0.000 1.978 141 A HA -0.159 4.181 4.320 0.034 0.000 0.220 141 A C 2.131 179.720 177.584 0.010 0.000 1.170 141 A CA 1.562 53.636 52.037 0.061 0.000 0.636 141 A CB -1.385 17.701 19.000 0.143 0.000 0.810 141 A HN 0.167 nan 8.150 nan 0.000 0.448 142 L N -1.037 120.170 121.223 -0.027 0.000 2.500 142 L HA 0.001 4.361 4.340 0.034 0.000 0.219 142 L C 2.786 179.531 176.870 -0.209 0.000 1.057 142 L CA 1.044 55.822 54.840 -0.103 0.000 0.854 142 L CB -0.177 41.823 42.059 -0.099 0.000 1.078 142 L HN 0.556 nan 8.230 nan 0.000 0.480 143 S N -0.320 115.271 115.700 -0.182 0.000 2.395 143 S HA 0.013 4.503 4.470 0.034 0.000 0.225 143 S C 1.695 176.272 174.600 -0.039 0.000 1.027 143 S CA 0.883 58.983 58.200 -0.168 0.000 0.965 143 S CB 0.118 63.270 63.200 -0.079 0.000 0.812 143 S HN 0.481 nan 8.310 nan 0.000 0.482 144 G N 0.335 109.120 108.800 -0.026 0.000 2.159 144 G HA2 -0.222 3.758 3.960 0.034 0.000 0.256 144 G HA3 -0.222 3.758 3.960 0.034 0.000 0.256 144 G C 0.042 174.957 174.900 0.026 0.000 0.977 144 G CA 0.168 45.263 45.100 -0.008 0.000 0.652 144 G HN 0.826 nan 8.290 nan 0.000 0.531 145 V N 1.017 120.963 119.914 0.053 0.000 2.465 145 V HA 0.521 4.662 4.120 0.034 0.000 0.279 145 V C 0.414 176.522 176.094 0.024 0.000 1.045 145 V CA -0.242 62.096 62.300 0.063 0.000 0.938 145 V CB 1.625 33.508 31.823 0.100 0.000 0.986 145 V HN 0.279 nan 8.190 nan 0.000 0.467 146 K N 5.825 126.230 120.400 0.009 0.000 2.679 146 K HA 0.460 4.800 4.320 0.034 0.000 0.188 146 K C -1.059 175.523 176.600 -0.029 0.000 1.055 146 K CA -0.444 55.841 56.287 -0.002 0.000 1.006 146 K CB 1.130 33.631 32.500 0.001 0.000 1.317 146 K HN 0.492 nan 8.250 nan 0.000 0.584 147 L N 2.043 123.241 121.223 -0.042 0.000 2.416 147 L HA 0.089 4.450 4.340 0.034 0.000 0.272 147 L C 1.429 178.240 176.870 -0.099 0.000 1.161 147 L CA -0.076 54.709 54.840 -0.093 0.000 0.845 147 L CB 0.490 42.506 42.059 -0.071 0.000 1.119 147 L HN 0.525 nan 8.230 nan 0.000 0.464 148 T N -0.179 114.284 114.554 -0.152 0.000 2.698 148 T HA 0.073 4.443 4.350 0.034 0.000 0.295 148 T C 0.971 175.599 174.700 -0.120 0.000 1.007 148 T CA -0.473 61.550 62.100 -0.128 0.000 0.980 148 T CB 0.733 69.513 68.868 -0.147 0.000 1.036 148 T HN 0.499 nan 8.240 nan 0.000 0.526 149 L N 0.623 121.786 121.223 -0.100 0.000 2.027 149 L HA 0.016 4.377 4.340 0.034 0.000 0.206 149 L C 2.194 179.026 176.870 -0.064 0.000 1.074 149 L CA 1.993 56.783 54.840 -0.084 0.000 0.745 149 L CB -0.885 41.116 42.059 -0.096 0.000 0.898 149 L HN 0.734 nan 8.230 nan 0.000 0.433 150 D N -0.917 119.437 120.400 -0.077 0.000 2.097 150 D HA -0.220 4.441 4.640 0.034 0.000 0.197 150 D C 2.100 178.361 176.300 -0.066 0.000 0.984 150 D CA 1.287 55.260 54.000 -0.045 0.000 0.826 150 D CB -0.462 40.312 40.800 -0.044 0.000 0.973 150 D HN 0.506 nan 8.370 nan 0.000 0.460 151 Q N 0.242 119.902 119.800 -0.232 0.000 2.156 151 Q HA -0.172 4.188 4.340 0.034 0.000 0.211 151 Q C 2.440 178.392 176.000 -0.080 0.000 0.995 151 Q CA 1.080 56.582 55.803 -0.502 0.000 0.877 151 Q CB -0.163 27.964 28.738 -1.019 0.000 0.920 151 Q HN 0.397 nan 8.270 nan 0.000 0.416 152 I N 0.668 121.207 120.570 -0.051 0.000 2.500 152 I HA -0.191 3.999 4.170 0.034 0.000 0.252 152 I C 1.539 177.685 176.117 0.049 0.000 1.142 152 I CA 0.393 61.709 61.300 0.027 0.000 1.451 152 I CB -0.298 37.705 38.000 0.005 0.000 1.093 152 I HN 0.228 nan 8.210 nan 0.000 0.430 153 N N 0.570 119.325 118.700 0.091 0.000 2.223 153 N HA -0.131 4.630 4.740 0.034 0.000 0.185 153 N C 1.745 177.325 175.510 0.117 0.000 1.016 153 N CA 1.536 54.703 53.050 0.195 0.000 0.863 153 N CB -0.441 38.191 38.487 0.243 0.000 0.983 153 N HN 0.289 nan 8.380 nan 0.000 0.429 154 T N 1.154 115.793 114.554 0.141 0.000 2.978 154 T HA 0.172 4.542 4.350 0.034 0.000 0.262 154 T C 2.049 176.827 174.700 0.130 0.000 1.063 154 T CA 0.096 62.298 62.100 0.171 0.000 1.140 154 T CB 0.120 69.165 68.868 0.294 0.000 0.886 154 T HN 0.112 nan 8.240 nan 0.000 0.470 155 L N 1.591 122.903 121.223 0.150 0.000 2.141 155 L HA -0.029 4.332 4.340 0.034 0.000 0.209 155 L C 2.553 179.373 176.870 -0.083 0.000 1.094 155 L CA 0.958 55.812 54.840 0.022 0.000 0.763 155 L CB -0.372 41.704 42.059 0.027 0.000 0.908 155 L HN 0.262 nan 8.230 nan 0.000 0.437 156 V N -4.715 115.137 119.914 -0.102 0.000 3.235 156 V HA -0.036 4.105 4.120 0.034 0.000 0.259 156 V C 2.020 178.016 176.094 -0.164 0.000 1.133 156 V CA 1.249 63.440 62.300 -0.181 0.000 1.128 156 V CB -0.681 30.950 31.823 -0.320 0.000 0.757 156 V HN 0.487 nan 8.190 nan 0.000 0.469 157 T N -1.895 112.601 114.554 -0.096 0.000 3.060 157 T HA 0.344 4.715 4.350 0.034 0.000 0.249 157 T C 0.740 175.432 174.700 -0.012 0.000 1.079 157 T CA -0.211 61.870 62.100 -0.032 0.000 1.013 157 T CB -0.334 68.554 68.868 0.033 0.000 0.975 157 T HN 0.356 nan 8.240 nan 0.000 0.518 158 L N 2.855 124.063 121.223 -0.024 0.000 2.559 158 L HA 0.146 4.506 4.340 0.034 0.000 0.282 158 L C -1.860 175.003 176.870 -0.011 0.000 1.232 158 L CA -1.436 53.394 54.840 -0.016 0.000 0.885 158 L CB 0.074 42.113 42.059 -0.033 0.000 1.131 158 L HN 0.053 nan 8.230 nan 0.000 0.498 159 P HA -0.073 nan 4.420 nan 0.000 0.253 159 P C 0.721 178.024 177.300 0.004 0.000 1.159 159 P CA 0.954 64.056 63.100 0.003 0.000 0.779 159 P CB 0.204 31.907 31.700 0.005 0.000 0.745 160 G N 1.917 110.720 108.800 0.006 0.000 2.148 160 G HA2 -0.231 3.749 3.960 0.034 0.000 0.254 160 G HA3 -0.231 3.749 3.960 0.034 0.000 0.254 160 G C 0.112 175.020 174.900 0.014 0.000 0.981 160 G CA -0.164 44.944 45.100 0.012 0.000 0.670 160 G HN 0.521 nan 8.290 nan 0.000 0.528 161 V N 0.424 120.336 119.914 -0.002 0.000 2.555 161 V HA 0.565 4.706 4.120 0.034 0.000 0.286 161 V C 1.566 177.660 176.094 -0.001 0.000 1.044 161 V CA 1.081 63.373 62.300 -0.013 0.000 1.026 161 V CB 1.349 33.135 31.823 -0.061 0.000 0.981 161 V HN 0.538 nan 8.190 nan 0.000 0.480 162 G N 2.928 111.744 108.800 0.026 0.000 2.748 162 G HA2 0.600 4.581 3.960 0.034 0.000 0.204 162 G HA3 0.600 4.581 3.960 0.034 0.000 0.204 162 G C 0.232 175.159 174.900 0.044 0.000 1.095 162 G CA 0.757 45.880 45.100 0.038 0.000 0.775 162 G HN 0.996 nan 8.290 nan 0.000 0.531 163 A N -0.704 122.163 122.820 0.079 0.000 2.594 163 A HA 0.729 5.069 4.320 0.034 0.000 0.291 163 A C -2.236 175.426 177.584 0.130 0.000 1.105 163 A CA -0.558 51.549 52.037 0.117 0.000 0.694 163 A CB 1.735 20.912 19.000 0.294 0.000 1.291 163 A HN 0.593 nan 8.150 nan 0.000 0.410 164 L N 0.513 121.821 121.223 0.142 0.000 2.372 164 L HA 0.541 4.902 4.340 0.034 0.000 0.274 164 L C -0.170 176.843 176.870 0.239 0.000 0.988 164 L CA -0.344 54.581 54.840 0.142 0.000 0.833 164 L CB 1.393 43.488 42.059 0.060 0.000 1.236 164 L HN 0.683 nan 8.230 nan 0.000 0.410 165 K N 3.486 124.003 120.400 0.195 0.000 2.315 165 K HA 0.188 4.528 4.320 0.034 0.000 0.291 165 K C -0.472 176.190 176.600 0.104 0.000 1.074 165 K CA -0.266 56.069 56.287 0.081 0.000 0.936 165 K CB 0.497 32.866 32.500 -0.218 0.000 1.049 165 K HN 0.648 nan 8.250 nan 0.000 0.471 166 Q N 3.211 123.069 119.800 0.096 0.000 2.503 166 Q HA 0.115 4.476 4.340 0.034 0.000 0.227 166 Q C -1.114 174.916 176.000 0.049 0.000 1.109 166 Q CA -0.013 55.842 55.803 0.086 0.000 0.922 166 Q CB 0.814 29.603 28.738 0.085 0.000 1.249 166 Q HN 0.418 nan 8.270 nan 0.000 0.530 167 T N 2.238 116.804 114.554 0.020 0.000 3.766 167 T HA 0.362 4.733 4.350 0.034 0.000 0.327 167 T C -0.665 174.021 174.700 -0.024 0.000 1.595 167 T CA -0.149 61.852 62.100 -0.166 0.000 1.204 167 T CB -0.059 68.672 68.868 -0.229 0.000 1.245 167 T HN 0.391 nan 8.240 nan 0.000 0.875 168 S N 0.120 115.939 115.700 0.198 0.000 2.595 168 S HA 0.681 5.171 4.470 0.034 0.000 0.281 168 S C 1.040 175.877 174.600 0.395 0.000 1.117 168 S CA -0.527 57.865 58.200 0.320 0.000 0.873 168 S CB 1.603 64.903 63.200 0.167 0.000 1.108 168 S HN 0.468 nan 8.310 nan 0.000 0.477 169 G N 0.774 109.719 108.800 0.242 0.000 3.159 169 G HA2 0.154 4.134 3.960 0.034 0.000 0.232 169 G HA3 0.154 4.134 3.960 0.034 0.000 0.232 169 G C -0.199 174.751 174.900 0.083 0.000 1.116 169 G CA -0.109 45.048 45.100 0.096 0.000 0.767 169 G HN 0.623 nan 8.290 nan 0.000 0.547 170 D N 1.145 121.606 120.400 0.102 0.000 2.441 170 D HA 0.199 4.860 4.640 0.034 0.000 0.221 170 D C 1.281 177.645 176.300 0.105 0.000 1.156 170 D CA -0.447 53.611 54.000 0.097 0.000 0.896 170 D CB 0.612 41.464 40.800 0.086 0.000 1.028 170 D HN 0.053 nan 8.370 nan 0.000 0.509 171 L N 3.567 124.856 121.223 0.110 0.000 2.599 171 L HA -0.021 4.340 4.340 0.034 0.000 0.230 171 L C 1.303 178.265 176.870 0.153 0.000 1.141 171 L CA 0.007 54.909 54.840 0.105 0.000 0.877 171 L CB -0.313 41.793 42.059 0.079 0.000 1.009 171 L HN 0.441 nan 8.230 nan 0.000 0.447 172 Y N 0.828 121.139 120.300 0.019 0.000 2.314 172 Y HA -0.133 4.437 4.550 0.033 0.000 0.294 172 Y C 2.465 178.375 175.900 0.017 0.000 1.119 172 Y CA 1.247 59.356 58.100 0.014 0.000 1.179 172 Y CB -0.081 38.385 38.460 0.010 0.000 1.025 172 Y HN 0.153 nan 8.280 nan 0.000 0.541 173 Q N -0.704 119.056 119.800 -0.066 0.000 2.230 173 Q HA -0.153 4.208 4.340 0.034 0.000 0.202 173 Q C 2.129 178.094 176.000 -0.059 0.000 0.963 173 Q CA 1.282 56.985 55.803 -0.166 0.000 0.866 173 Q CB -0.032 28.649 28.738 -0.095 0.000 0.931 173 Q HN 0.518 nan 8.270 nan 0.000 0.452 174 M N 0.619 120.226 119.600 0.011 0.000 2.132 174 M HA -0.174 4.326 4.480 0.034 0.000 0.263 174 M C 1.868 178.180 176.300 0.021 0.000 1.065 174 M CA 1.590 56.907 55.300 0.028 0.000 1.122 174 M CB -0.154 32.476 32.600 0.049 0.000 1.365 174 M HN 0.105 nan 8.290 nan 0.000 0.411 175 E N -0.054 120.169 120.200 0.038 0.000 2.072 175 E HA -0.232 4.139 4.350 0.034 0.000 0.191 175 E C 1.854 178.461 176.600 0.011 0.000 0.985 175 E CA 1.555 57.982 56.400 0.044 0.000 0.801 175 E CB -0.264 29.498 29.700 0.102 0.000 0.750 175 E HN 0.714 nan 8.360 nan 0.000 0.452 176 Q N -0.206 119.568 119.800 -0.043 0.000 2.364 176 Q HA -0.051 4.309 4.340 0.034 0.000 0.207 176 Q C 2.179 178.152 176.000 -0.045 0.000 0.970 176 Q CA 0.853 56.606 55.803 -0.083 0.000 0.888 176 Q CB 0.104 28.710 28.738 -0.219 0.000 0.951 176 Q HN 0.369 nan 8.270 nan 0.000 0.469 177 I N -0.503 120.063 120.570 -0.006 0.000 2.385 177 I HA -0.149 4.042 4.170 0.034 0.000 0.244 177 I C 2.339 178.498 176.117 0.070 0.000 1.089 177 I CA 0.435 61.776 61.300 0.070 0.000 1.410 177 I CB -0.056 37.987 38.000 0.073 0.000 1.117 177 I HN 0.012 nan 8.210 nan 0.000 0.429 178 R N 1.855 122.376 120.500 0.035 0.000 2.117 178 R HA -0.217 4.143 4.340 0.034 0.000 0.243 178 R C 2.246 178.548 176.300 0.005 0.000 1.143 178 R CA 1.834 57.947 56.100 0.022 0.000 0.968 178 R CB -0.622 29.683 30.300 0.008 0.000 0.863 178 R HN 0.274 nan 8.270 nan 0.000 0.444 179 R N -0.499 119.995 120.500 -0.009 0.000 2.236 179 R HA -0.056 4.305 4.340 0.034 0.000 0.208 179 R C 1.387 177.644 176.300 -0.072 0.000 1.036 179 R CA 1.570 57.654 56.100 -0.027 0.000 1.001 179 R CB -0.016 30.276 30.300 -0.014 0.000 0.896 179 R HN 0.296 nan 8.270 nan 0.000 0.464 180 E N -0.688 119.440 120.200 -0.121 0.000 2.447 180 E HA 0.017 4.388 4.350 0.034 0.000 0.204 180 E C -0.652 175.611 176.600 -0.562 0.000 0.977 180 E CA 0.416 56.635 56.400 -0.301 0.000 0.950 180 E CB 0.506 30.012 29.700 -0.323 0.000 0.975 180 E HN 0.503 nan 8.360 nan 0.000 0.496 181 H N -0.603 118.460 119.070 -0.012 0.000 2.488 181 H HA 0.249 4.824 4.556 0.032 0.000 0.237 181 H C -2.138 173.182 175.328 -0.014 0.000 1.395 181 H CA -1.794 54.248 56.048 -0.010 0.000 1.491 181 H CB 1.390 31.146 29.762 -0.010 0.000 1.567 181 H HN 0.071 nan 8.280 nan 0.000 0.508 182 P HA -0.210 nan 4.420 nan 0.000 0.216 182 P C 0.956 178.271 177.300 0.024 0.000 1.150 182 P CA 1.384 64.496 63.100 0.021 0.000 0.843 182 P CB 0.513 32.216 31.700 0.005 0.000 0.787 183 D N -0.958 119.464 120.400 0.038 0.000 2.183 183 D HA -0.020 4.641 4.640 0.034 0.000 0.205 183 D C 0.999 177.304 176.300 0.009 0.000 0.962 183 D CA 0.069 54.082 54.000 0.021 0.000 0.849 183 D CB -0.424 40.391 40.800 0.025 0.000 0.978 183 D HN 0.083 nan 8.370 nan 0.000 0.488 184 L N 2.360 123.600 121.223 0.029 0.000 2.653 184 L HA -0.102 4.259 4.340 0.034 0.000 0.288 184 L C -0.304 176.533 176.870 -0.056 0.000 1.243 184 L CA 0.162 54.998 54.840 -0.007 0.000 0.906 184 L CB 0.443 42.503 42.059 0.003 0.000 1.154 184 L HN -0.284 nan 8.230 nan 0.000 0.498 185 V N 7.170 127.029 119.914 -0.091 0.000 2.425 185 V HA 0.036 4.177 4.120 0.034 0.000 0.276 185 V C 0.279 176.214 176.094 -0.264 0.000 1.017 185 V CA 0.050 62.219 62.300 -0.217 0.000 1.062 185 V CB 0.382 32.071 31.823 -0.223 0.000 0.997 185 V HN 0.615 nan 8.190 nan 0.000 0.476 186 L N 8.138 129.192 121.223 -0.282 0.000 2.318 186 L HA 0.507 4.868 4.340 0.034 0.000 0.277 186 L C -0.787 175.970 176.870 -0.188 0.000 1.008 186 L CA -0.256 54.489 54.840 -0.158 0.000 0.846 186 L CB 0.884 42.901 42.059 -0.069 0.000 1.220 186 L HN 0.493 nan 8.230 nan 0.000 0.423 187 Y N 3.028 123.330 120.300 0.002 0.000 2.313 187 Y HA 0.317 4.887 4.550 0.033 0.000 0.332 187 Y C 0.736 176.638 175.900 0.004 0.000 1.071 187 Y CA -0.242 57.858 58.100 0.001 0.000 1.169 187 Y CB 0.825 39.255 38.460 -0.050 0.000 1.192 187 Y HN 0.619 nan 8.280 nan 0.000 0.487 188 N N 1.346 120.164 118.700 0.196 0.000 2.470 188 N HA 0.190 4.950 4.740 0.034 0.000 0.268 188 N C 0.908 176.498 175.510 0.133 0.000 1.136 188 N CA 0.427 53.579 53.050 0.170 0.000 0.961 188 N CB 0.939 39.550 38.487 0.207 0.000 1.067 188 N HN 0.882 nan 8.380 nan 0.000 0.468 189 G N 2.207 111.035 108.800 0.046 0.000 2.490 189 G HA2 -0.062 3.919 3.960 0.034 0.000 0.211 189 G HA3 -0.062 3.919 3.960 0.034 0.000 0.211 189 G C -0.311 174.506 174.900 -0.138 0.000 1.159 189 G CA 0.207 45.227 45.100 -0.135 0.000 0.819 189 G HN 0.545 nan 8.290 nan 0.000 0.539 190 Y N 2.149 122.494 120.300 0.075 0.000 2.404 190 Y HA 0.255 4.825 4.550 0.033 0.000 0.344 190 Y C 0.924 176.907 175.900 0.139 0.000 0.995 190 Y CA -1.109 57.039 58.100 0.081 0.000 1.201 190 Y CB 1.269 39.778 38.460 0.083 0.000 1.151 190 Y HN 0.048 nan 8.280 nan 0.000 0.517 191 D N 1.191 121.748 120.400 0.263 0.000 2.221 191 D HA -0.196 4.464 4.640 0.034 0.000 0.204 191 D C 1.649 178.174 176.300 0.376 0.000 0.982 191 D CA 1.395 55.564 54.000 0.282 0.000 0.857 191 D CB 0.140 41.053 40.800 0.189 0.000 0.934 191 D HN 0.701 nan 8.370 nan 0.000 0.475 192 E N 0.707 121.079 120.200 0.286 0.000 2.478 192 E HA -0.053 4.317 4.350 0.034 0.000 0.194 192 E C 1.750 178.465 176.600 0.190 0.000 1.045 192 E CA 0.235 56.759 56.400 0.206 0.000 0.868 192 E CB -0.208 29.565 29.700 0.122 0.000 0.885 192 E HN 0.501 nan 8.360 nan 0.000 0.505 193 I N -3.626 117.086 120.570 0.238 0.000 4.009 193 I HA 0.290 4.480 4.170 0.034 0.000 0.331 193 I C 1.434 177.697 176.117 0.243 0.000 1.462 193 I CA -0.719 60.698 61.300 0.194 0.000 1.117 193 I CB -0.260 37.820 38.000 0.134 0.000 1.091 193 I HN -0.259 nan 8.210 nan 0.000 0.410 194 F N 3.298 123.354 119.950 0.175 0.000 2.039 194 F HA -0.384 4.148 4.527 0.008 0.000 0.296 194 F C 2.540 178.413 175.800 0.121 0.000 1.119 194 F CA 2.774 60.884 58.000 0.184 0.000 1.211 194 F CB -0.421 38.752 39.000 0.289 0.000 0.956 194 F HN 0.230 nan 8.300 nan 0.000 0.496 195 A N -0.748 122.170 122.820 0.165 0.000 1.892 195 A HA -0.229 4.112 4.320 0.034 0.000 0.218 195 A C 2.323 179.881 177.584 -0.043 0.000 1.188 195 A CA 2.463 54.507 52.037 0.012 0.000 0.631 195 A CB -1.336 17.718 19.000 0.090 0.000 0.822 195 A HN 0.505 nan 8.150 nan 0.000 0.447 196 S N -0.658 115.051 115.700 0.014 0.000 2.406 196 S HA 0.038 4.529 4.470 0.034 0.000 0.228 196 S C 2.026 176.623 174.600 -0.006 0.000 1.020 196 S CA 0.778 58.984 58.200 0.009 0.000 0.965 196 S CB -0.479 62.742 63.200 0.036 0.000 0.798 196 S HN 0.773 nan 8.310 nan 0.000 0.488 197 G N 1.920 110.716 108.800 -0.007 0.000 2.422 197 G HA2 -0.104 3.877 3.960 0.034 0.000 0.218 197 G HA3 -0.104 3.877 3.960 0.034 0.000 0.218 197 G C 1.313 176.165 174.900 -0.081 0.000 1.146 197 G CA 0.477 45.569 45.100 -0.012 0.000 0.769 197 G HN 0.390 nan 8.290 nan 0.000 0.547 198 L N -0.503 120.608 121.223 -0.188 0.000 1.955 198 L HA -0.086 4.275 4.340 0.034 0.000 0.213 198 L C 2.708 179.517 176.870 -0.102 0.000 1.072 198 L CA 0.813 55.534 54.840 -0.199 0.000 0.755 198 L CB -0.624 41.254 42.059 -0.302 0.000 0.888 198 L HN 0.177 nan 8.230 nan 0.000 0.432 199 L N 0.091 121.268 121.223 -0.078 0.000 2.064 199 L HA -0.292 4.068 4.340 0.034 0.000 0.216 199 L C 2.559 179.416 176.870 -0.021 0.000 1.077 199 L CA 2.233 57.049 54.840 -0.039 0.000 0.766 199 L CB -0.777 41.269 42.059 -0.022 0.000 0.890 199 L HN 0.277 nan 8.230 nan 0.000 0.435 200 A N -1.967 120.846 122.820 -0.012 0.000 2.015 200 A HA 0.277 4.618 4.320 0.034 0.000 0.219 200 A C 1.703 179.290 177.584 0.005 0.000 1.163 200 A CA 1.280 53.324 52.037 0.011 0.000 0.646 200 A CB -0.526 18.492 19.000 0.030 0.000 0.806 200 A HN 0.776 nan 8.150 nan 0.000 0.448 201 G N -2.954 105.836 108.800 -0.017 0.000 2.731 201 G HA2 0.373 4.354 3.960 0.034 0.000 0.219 201 G HA3 0.373 4.354 3.960 0.034 0.000 0.219 201 G C 0.103 174.981 174.900 -0.037 0.000 0.989 201 G CA 0.050 45.137 45.100 -0.022 0.000 0.871 201 G HN 1.150 nan 8.290 nan 0.000 0.591 202 A N 0.580 123.366 122.820 -0.056 0.000 2.340 202 A HA 0.613 4.954 4.320 0.034 0.000 0.268 202 A C 0.979 178.502 177.584 -0.102 0.000 1.100 202 A CA 0.541 52.535 52.037 -0.071 0.000 0.803 202 A CB 0.486 19.451 19.000 -0.059 0.000 1.043 202 A HN 0.553 nan 8.150 nan 0.000 0.488 203 D N 0.004 120.336 120.400 -0.114 0.000 2.349 203 D HA 0.424 5.084 4.640 0.034 0.000 0.214 203 D C 0.578 176.827 176.300 -0.085 0.000 1.063 203 D CA 0.679 54.615 54.000 -0.107 0.000 0.847 203 D CB 0.396 41.130 40.800 -0.111 0.000 0.933 203 D HN 0.817 nan 8.370 nan 0.000 0.513 204 G N -1.784 106.980 108.800 -0.060 0.000 2.435 204 G HA2 0.573 4.554 3.960 0.034 0.000 0.296 204 G HA3 0.573 4.554 3.960 0.034 0.000 0.296 204 G C -1.122 173.952 174.900 0.289 0.000 1.240 204 G CA -0.479 44.688 45.100 0.111 0.000 0.872 204 G HN 0.561 nan 8.290 nan 0.000 0.480 205 G N -1.205 107.906 108.800 0.518 0.000 2.703 205 G HA2 0.610 4.590 3.960 0.034 0.000 0.294 205 G HA3 0.610 4.590 3.960 0.034 0.000 0.294 205 G C -1.817 173.322 174.900 0.399 0.000 1.451 205 G CA -0.600 44.826 45.100 0.543 0.000 0.869 205 G HN 0.708 nan 8.290 nan 0.000 0.516 206 I N 0.866 121.421 120.570 -0.025 0.000 2.389 206 I HA 0.708 4.898 4.170 0.034 0.000 0.288 206 I C 0.457 176.110 176.117 -0.774 0.000 0.999 206 I CA -0.427 60.602 61.300 -0.452 0.000 1.129 206 I CB 2.292 39.825 38.000 -0.778 0.000 1.288 206 I HN 0.756 nan 8.210 nan 0.000 0.444 207 G N 2.328 110.297 108.800 -1.385 0.000 2.733 207 G HA2 0.386 4.367 3.960 0.034 0.000 0.297 207 G HA3 0.386 4.367 3.960 0.034 0.000 0.297 207 G C 0.202 174.471 174.900 -1.052 0.000 1.422 207 G CA -0.220 44.006 45.100 -1.456 0.000 0.942 207 G HN 0.575 nan 8.290 nan 0.000 0.510 208 S N -0.149 115.252 115.700 -0.498 0.000 2.395 208 S HA -0.121 4.369 4.470 0.034 0.000 0.225 208 S C 2.306 176.838 174.600 -0.114 0.000 1.027 208 S CA 1.996 60.061 58.200 -0.224 0.000 0.965 208 S CB -0.515 62.675 63.200 -0.016 0.000 0.812 208 S HN 1.108 nan 8.310 nan 0.000 0.482 209 T N -1.481 113.030 114.554 -0.072 0.000 3.055 209 T HA 0.013 4.384 4.350 0.034 0.000 0.265 209 T C 1.480 176.254 174.700 0.124 0.000 1.111 209 T CA 0.400 62.538 62.100 0.064 0.000 1.118 209 T CB -0.761 68.193 68.868 0.144 0.000 0.909 209 T HN 0.296 nan 8.240 nan 0.000 0.501 210 Y N 3.016 123.163 120.300 -0.255 0.000 2.228 210 Y HA -0.146 4.431 4.550 0.045 0.000 0.285 210 Y C 2.387 178.229 175.900 -0.097 0.000 1.178 210 Y CA 0.147 58.092 58.100 -0.259 0.000 1.202 210 Y CB -1.340 36.923 38.460 -0.329 0.000 0.974 210 Y HN 0.363 nan 8.280 nan 0.000 0.527 211 N N 0.572 119.342 118.700 0.117 0.000 2.417 211 N HA -0.159 4.602 4.740 0.034 0.000 0.187 211 N C 1.570 177.223 175.510 0.240 0.000 1.027 211 N CA 1.839 54.973 53.050 0.139 0.000 0.891 211 N CB -0.192 38.348 38.487 0.088 0.000 0.956 211 N HN 0.635 nan 8.380 nan 0.000 0.442 212 I N -3.490 117.181 120.570 0.168 0.000 4.403 212 I HA 0.262 4.452 4.170 0.034 0.000 0.331 212 I C 0.790 176.877 176.117 -0.049 0.000 1.327 212 I CA -0.065 61.358 61.300 0.205 0.000 1.175 212 I CB 0.453 38.535 38.000 0.137 0.000 1.165 212 I HN -0.130 nan 8.210 nan 0.000 0.413 213 M N 0.264 119.668 119.600 -0.327 0.000 4.981 213 M HA 0.511 5.011 4.480 0.034 0.000 0.584 213 M C 0.091 175.936 176.300 -0.760 0.000 2.270 213 M CA -0.098 54.527 55.300 -1.124 0.000 0.414 213 M CB 0.108 32.203 32.600 -0.842 0.000 1.445 213 M HN -0.022 nan 8.290 nan 0.000 0.634 214 G N 0.920 109.486 108.800 -0.389 0.000 2.650 214 G HA2 -0.053 3.927 3.960 0.034 0.000 0.214 214 G HA3 -0.053 3.927 3.960 0.034 0.000 0.214 214 G C 0.753 175.577 174.900 -0.127 0.000 1.136 214 G CA 0.677 45.664 45.100 -0.187 0.000 0.789 214 G HN 0.930 nan 8.290 nan 0.000 0.536 215 W N 1.140 122.411 121.300 -0.048 0.000 2.355 215 W HA 0.050 4.723 4.660 0.022 0.000 0.309 215 W C 2.171 178.641 176.519 -0.081 0.000 1.206 215 W CA 0.791 58.100 57.345 -0.060 0.000 1.284 215 W CB -0.460 28.971 29.460 -0.050 0.000 1.145 215 W HN -0.019 nan 8.180 nan 0.000 0.502 216 R N -0.584 119.511 120.500 -0.675 0.000 2.211 216 R HA -0.185 4.175 4.340 0.034 0.000 0.240 216 R C 1.871 177.863 176.300 -0.514 0.000 1.144 216 R CA 1.925 57.719 56.100 -0.510 0.000 0.992 216 R CB -0.653 29.210 30.300 -0.729 0.000 0.869 216 R HN 0.386 nan 8.270 nan 0.000 0.462 217 Y N -0.586 119.452 120.300 -0.437 0.000 2.389 217 Y HA 0.009 4.573 4.550 0.023 0.000 0.292 217 Y C 2.341 178.080 175.900 -0.269 0.000 1.117 217 Y CA 0.415 58.158 58.100 -0.596 0.000 1.195 217 Y CB 0.007 37.736 38.460 -1.219 0.000 1.076 217 Y HN -0.049 nan 8.280 nan 0.000 0.548 218 Q N -0.080 119.695 119.800 -0.042 0.000 2.124 218 Q HA -0.116 4.245 4.340 0.034 0.000 0.202 218 Q C 2.538 178.586 176.000 0.080 0.000 0.977 218 Q CA 1.403 57.240 55.803 0.057 0.000 0.850 218 Q CB -0.518 28.250 28.738 0.048 0.000 0.901 218 Q HN 0.591 nan 8.270 nan 0.000 0.429 219 G N 0.836 109.671 108.800 0.058 0.000 2.450 219 G HA2 -0.236 3.744 3.960 0.034 0.000 0.220 219 G HA3 -0.236 3.744 3.960 0.034 0.000 0.220 219 G C 1.367 176.302 174.900 0.057 0.000 1.130 219 G CA 0.610 45.748 45.100 0.064 0.000 0.760 219 G HN 0.252 nan 8.290 nan 0.000 0.557 220 I N 0.268 120.876 120.570 0.065 0.000 2.252 220 I HA -0.134 4.056 4.170 0.034 0.000 0.245 220 I C 2.716 178.941 176.117 0.179 0.000 1.102 220 I CA 0.601 61.990 61.300 0.148 0.000 1.385 220 I CB -0.268 37.917 38.000 0.307 0.000 1.064 220 I HN 0.044 nan 8.210 nan 0.000 0.414 221 V N 0.976 121.025 119.914 0.225 0.000 2.379 221 V HA -0.263 3.877 4.120 0.034 0.000 0.245 221 V C 2.528 178.670 176.094 0.080 0.000 1.044 221 V CA 1.698 64.089 62.300 0.152 0.000 1.036 221 V CB -0.622 31.308 31.823 0.178 0.000 0.664 221 V HN 0.388 nan 8.190 nan 0.000 0.453 222 K N 0.396 120.842 120.400 0.076 0.000 1.978 222 K HA -0.232 4.108 4.320 0.034 0.000 0.214 222 K C 2.275 178.900 176.600 0.041 0.000 1.049 222 K CA 1.835 58.152 56.287 0.051 0.000 0.939 222 K CB -0.505 32.025 32.500 0.049 0.000 0.721 222 K HN 0.374 nan 8.250 nan 0.000 0.441 223 A N 1.584 124.431 122.820 0.045 0.000 1.903 223 A HA -0.218 4.122 4.320 0.034 0.000 0.219 223 A C 2.206 179.807 177.584 0.028 0.000 1.191 223 A CA 1.916 53.973 52.037 0.035 0.000 0.638 223 A CB -0.893 18.129 19.000 0.037 0.000 0.823 223 A HN 0.414 nan 8.150 nan 0.000 0.451 224 L N -1.423 119.819 121.223 0.031 0.000 2.141 224 L HA -0.156 4.205 4.340 0.034 0.000 0.209 224 L C 2.569 179.444 176.870 0.008 0.000 1.094 224 L CA 1.543 56.392 54.840 0.014 0.000 0.763 224 L CB -0.398 41.662 42.059 0.002 0.000 0.908 224 L HN 0.411 nan 8.230 nan 0.000 0.437 225 K N 0.376 120.784 120.400 0.013 0.000 2.228 225 K HA -0.109 4.232 4.320 0.034 0.000 0.202 225 K C 0.803 177.408 176.600 0.008 0.000 1.051 225 K CA 0.924 57.217 56.287 0.008 0.000 0.960 225 K CB 0.214 32.721 32.500 0.012 0.000 0.743 225 K HN 0.360 nan 8.250 nan 0.000 0.458 226 E N -0.653 119.554 120.200 0.011 0.000 2.496 226 E HA 0.170 4.541 4.350 0.034 0.000 0.202 226 E C 0.372 176.977 176.600 0.008 0.000 1.021 226 E CA 0.105 56.510 56.400 0.009 0.000 1.015 226 E CB 0.878 30.585 29.700 0.011 0.000 1.102 226 E HN 0.268 nan 8.360 nan 0.000 0.452 227 G N 1.976 110.781 108.800 0.007 0.000 2.203 227 G HA2 -0.327 3.654 3.960 0.034 0.000 0.263 227 G HA3 -0.327 3.654 3.960 0.034 0.000 0.263 227 G C -0.090 174.814 174.900 0.008 0.000 1.012 227 G CA 0.477 45.581 45.100 0.006 0.000 0.749 227 G HN 0.396 nan 8.290 nan 0.000 0.512 228 D N 0.142 120.549 120.400 0.011 0.000 2.551 228 D HA 0.358 5.018 4.640 0.034 0.000 0.223 228 D C 1.823 178.131 176.300 0.013 0.000 1.144 228 D CA -0.522 53.485 54.000 0.012 0.000 1.025 228 D CB -0.494 40.314 40.800 0.014 0.000 1.085 228 D HN 0.352 nan 8.370 nan 0.000 0.506 229 I N 1.476 122.052 120.570 0.011 0.000 2.163 229 I HA -0.342 3.848 4.170 0.034 0.000 0.243 229 I C 2.040 178.164 176.117 0.012 0.000 1.085 229 I CA 1.063 62.369 61.300 0.011 0.000 1.347 229 I CB 0.084 38.089 38.000 0.008 0.000 1.044 229 I HN 0.259 nan 8.210 nan 0.000 0.408 230 Q N -0.047 119.759 119.800 0.010 0.000 2.124 230 Q HA -0.153 4.207 4.340 0.034 0.000 0.202 230 Q C 2.239 178.246 176.000 0.011 0.000 0.977 230 Q CA 1.919 57.728 55.803 0.010 0.000 0.850 230 Q CB -0.522 28.220 28.738 0.008 0.000 0.901 230 Q HN 0.420 nan 8.270 nan 0.000 0.429 231 T N 0.080 114.642 114.554 0.013 0.000 2.812 231 T HA -0.041 4.329 4.350 0.034 0.000 0.264 231 T C 1.783 176.491 174.700 0.014 0.000 1.042 231 T CA 1.006 63.115 62.100 0.014 0.000 1.140 231 T CB -0.354 68.525 68.868 0.018 0.000 0.870 231 T HN 0.395 nan 8.240 nan 0.000 0.445 232 A N 1.739 124.571 122.820 0.019 0.000 1.865 232 A HA -0.226 4.114 4.320 0.034 0.000 0.217 232 A C 2.261 179.857 177.584 0.021 0.000 1.191 232 A CA 1.836 53.889 52.037 0.026 0.000 0.623 232 A CB -0.806 18.214 19.000 0.033 0.000 0.826 232 A HN 0.570 nan 8.150 nan 0.000 0.444 233 Q N -0.700 119.111 119.800 0.019 0.000 2.096 233 Q HA -0.201 4.159 4.340 0.034 0.000 0.204 233 Q C 2.236 178.239 176.000 0.006 0.000 0.982 233 Q CA 1.560 57.373 55.803 0.016 0.000 0.850 233 Q CB -0.259 28.487 28.738 0.014 0.000 0.901 233 Q HN 0.590 nan 8.270 nan 0.000 0.422 234 K N 1.130 121.532 120.400 0.003 0.000 2.063 234 K HA -0.182 4.158 4.320 0.034 0.000 0.208 234 K C 1.959 178.548 176.600 -0.018 0.000 1.048 234 K CA 1.153 57.438 56.287 -0.002 0.000 0.928 234 K CB -0.178 32.324 32.500 0.003 0.000 0.713 234 K HN 0.200 nan 8.250 nan 0.000 0.442 235 L N 0.578 121.784 121.223 -0.028 0.000 1.948 235 L HA -0.229 4.132 4.340 0.034 0.000 0.212 235 L C 2.827 179.632 176.870 -0.109 0.000 1.074 235 L CA 1.562 56.355 54.840 -0.078 0.000 0.753 235 L CB -0.713 41.290 42.059 -0.093 0.000 0.888 235 L HN 0.189 nan 8.230 nan 0.000 0.432 236 Q N -0.072 119.687 119.800 -0.068 0.000 2.142 236 Q HA -0.256 4.104 4.340 0.034 0.000 0.213 236 Q C 2.045 178.025 176.000 -0.034 0.000 1.004 236 Q CA 2.936 58.716 55.803 -0.039 0.000 0.883 236 Q CB -0.677 28.086 28.738 0.042 0.000 0.939 236 Q HN 0.451 nan 8.270 nan 0.000 0.413 237 T N 0.856 115.398 114.554 -0.019 0.000 2.665 237 T HA -0.162 4.208 4.350 0.034 0.000 0.268 237 T C 1.408 176.093 174.700 -0.024 0.000 1.035 237 T CA 1.539 63.632 62.100 -0.012 0.000 1.151 237 T CB -0.265 68.600 68.868 -0.004 0.000 0.862 237 T HN 0.356 nan 8.240 nan 0.000 0.438 238 E N 0.341 120.516 120.200 -0.042 0.000 2.204 238 E HA -0.036 4.334 4.350 0.034 0.000 0.194 238 E C 2.495 179.048 176.600 -0.078 0.000 0.989 238 E CA 0.394 56.766 56.400 -0.047 0.000 0.824 238 E CB -0.490 29.184 29.700 -0.042 0.000 0.756 238 E HN 0.510 nan 8.360 nan 0.000 0.477 239 C N 0.989 120.211 119.300 -0.130 0.000 2.446 239 C HA -0.069 4.412 4.460 0.034 0.000 0.277 239 C C 2.383 177.361 174.990 -0.022 0.000 1.275 239 C CA 0.636 59.570 59.018 -0.139 0.000 1.727 239 C CB -1.192 26.383 27.740 -0.275 0.000 2.010 239 C HN 0.522 nan 8.230 nan 0.000 0.486 240 N N 0.237 118.934 118.700 -0.004 0.000 2.270 240 N HA -0.100 4.660 4.740 0.034 0.000 0.181 240 N C 1.742 177.260 175.510 0.013 0.000 1.016 240 N CA 0.690 53.754 53.050 0.023 0.000 0.870 240 N CB -0.105 38.398 38.487 0.026 0.000 0.979 240 N HN 0.556 nan 8.380 nan 0.000 0.431 241 K N 0.814 121.215 120.400 0.002 0.000 2.074 241 K HA -0.123 4.217 4.320 0.034 0.000 0.209 241 K C 1.980 178.583 176.600 0.006 0.000 1.048 241 K CA 1.101 57.390 56.287 0.003 0.000 0.926 241 K CB -0.134 32.367 32.500 0.001 0.000 0.713 241 K HN 0.024 nan 8.250 nan 0.000 0.444 242 V N 1.516 121.433 119.914 0.004 0.000 2.379 242 V HA -0.197 3.943 4.120 0.034 0.000 0.245 242 V C 2.113 178.218 176.094 0.018 0.000 1.044 242 V CA 1.452 63.759 62.300 0.012 0.000 1.036 242 V CB -0.299 31.529 31.823 0.009 0.000 0.664 242 V HN 0.276 nan 8.190 nan 0.000 0.453 243 I N 0.123 120.711 120.570 0.029 0.000 2.361 243 I HA -0.208 3.982 4.170 0.034 0.000 0.251 243 I C 2.186 178.309 176.117 0.010 0.000 1.133 243 I CA 1.271 62.592 61.300 0.036 0.000 1.413 243 I CB -0.472 37.567 38.000 0.066 0.000 1.073 243 I HN 0.324 nan 8.210 nan 0.000 0.424 244 D N 0.787 121.190 120.400 0.004 0.000 2.117 244 D HA -0.174 4.487 4.640 0.034 0.000 0.197 244 D C 2.031 178.313 176.300 -0.031 0.000 0.987 244 D CA 1.163 55.158 54.000 -0.009 0.000 0.829 244 D CB -0.211 40.588 40.800 -0.002 0.000 0.961 244 D HN 0.197 nan 8.370 nan 0.000 0.460 245 L N 0.593 121.799 121.223 -0.029 0.000 2.109 245 L HA -0.034 4.326 4.340 0.034 0.000 0.207 245 L C 2.114 178.922 176.870 -0.103 0.000 1.086 245 L CA 1.245 56.047 54.840 -0.063 0.000 0.760 245 L CB -0.602 41.439 42.059 -0.030 0.000 0.910 245 L HN -0.014 nan 8.230 nan 0.000 0.437 246 L N -1.048 120.141 121.223 -0.058 0.000 2.056 246 L HA -0.212 4.148 4.340 0.034 0.000 0.207 246 L C 2.515 179.332 176.870 -0.089 0.000 1.078 246 L CA 1.328 56.131 54.840 -0.061 0.000 0.749 246 L CB -0.487 41.564 42.059 -0.013 0.000 0.901 246 L HN 0.218 nan 8.230 nan 0.000 0.433 247 I N -0.343 120.187 120.570 -0.068 0.000 2.361 247 I HA -0.301 3.890 4.170 0.034 0.000 0.251 247 I C 2.570 178.629 176.117 -0.096 0.000 1.133 247 I CA 1.358 62.618 61.300 -0.066 0.000 1.413 247 I CB -0.196 37.783 38.000 -0.035 0.000 1.073 247 I HN 0.251 nan 8.210 nan 0.000 0.424 248 K N 0.084 120.398 120.400 -0.143 0.000 2.044 248 K HA -0.121 4.220 4.320 0.034 0.000 0.204 248 K C 2.130 178.499 176.600 -0.383 0.000 1.049 248 K CA 1.931 58.085 56.287 -0.221 0.000 0.945 248 K CB -0.168 32.179 32.500 -0.254 0.000 0.724 248 K HN 0.414 nan 8.250 nan 0.000 0.440 249 T N -2.069 112.213 114.554 -0.453 0.000 3.055 249 T HA 0.110 4.480 4.350 0.034 0.000 0.265 249 T C 0.764 175.374 174.700 -0.149 0.000 1.111 249 T CA 0.467 62.305 62.100 -0.436 0.000 1.118 249 T CB 0.057 68.733 68.868 -0.320 0.000 0.909 249 T HN 0.301 nan 8.240 nan 0.000 0.501 250 G N 0.076 108.803 108.800 -0.122 0.000 3.421 250 G HA2 -0.060 3.921 3.960 0.034 0.000 0.686 250 G HA3 -0.060 3.921 3.960 0.034 0.000 0.686 250 G C 0.213 175.041 174.900 -0.120 0.000 1.056 250 G CA -0.504 44.546 45.100 -0.083 0.000 0.891 250 G HN 0.316 nan 8.290 nan 0.000 0.514 251 V N 3.138 122.931 119.914 -0.201 0.000 2.358 251 V HA -0.065 4.076 4.120 0.034 0.000 0.246 251 V C 2.594 178.676 176.094 -0.020 0.000 1.047 251 V CA 2.477 64.693 62.300 -0.140 0.000 1.035 251 V CB -0.725 30.993 31.823 -0.175 0.000 0.658 251 V HN 0.681 nan 8.190 nan 0.000 0.452 252 F N 1.472 121.352 119.950 -0.118 0.000 2.128 252 F HA -0.028 4.519 4.527 0.033 0.000 0.295 252 F C 2.637 178.354 175.800 -0.139 0.000 1.100 252 F CA 1.377 59.278 58.000 -0.166 0.000 1.260 252 F CB -1.259 37.558 39.000 -0.304 0.000 1.009 252 F HN 0.185 nan 8.300 nan 0.000 0.476 253 R N 0.454 120.963 120.500 0.016 0.000 2.115 253 R HA 0.007 4.367 4.340 0.034 0.000 0.230 253 R C 2.359 178.682 176.300 0.038 0.000 1.111 253 R CA 1.394 57.504 56.100 0.016 0.000 0.976 253 R CB -1.499 28.811 30.300 0.016 0.000 0.870 253 R HN 0.269 nan 8.270 nan 0.000 0.445 254 G N 2.227 111.042 108.800 0.026 0.000 2.453 254 G HA2 -0.216 3.765 3.960 0.034 0.000 0.215 254 G HA3 -0.216 3.765 3.960 0.034 0.000 0.215 254 G C 1.565 176.499 174.900 0.057 0.000 1.201 254 G CA 0.820 45.942 45.100 0.037 0.000 0.784 254 G HN 0.181 nan 8.290 nan 0.000 0.545 255 L N 0.004 121.263 121.223 0.061 0.000 2.079 255 L HA -0.128 4.233 4.340 0.034 0.000 0.210 255 L C 3.027 179.927 176.870 0.049 0.000 1.081 255 L CA 1.451 56.331 54.840 0.066 0.000 0.752 255 L CB -0.261 41.848 42.059 0.082 0.000 0.896 255 L HN 0.246 nan 8.230 nan 0.000 0.433 256 K N -0.866 119.555 120.400 0.035 0.000 2.062 256 K HA -0.086 4.254 4.320 0.034 0.000 0.205 256 K C 2.010 178.620 176.600 0.016 0.000 1.051 256 K CA 1.639 57.930 56.287 0.007 0.000 0.941 256 K CB -0.228 32.266 32.500 -0.010 0.000 0.719 256 K HN 0.242 nan 8.250 nan 0.000 0.440 257 T N 1.193 115.768 114.554 0.035 0.000 2.833 257 T HA -0.103 4.267 4.350 0.034 0.000 0.269 257 T C 1.974 176.677 174.700 0.005 0.000 1.054 257 T CA 0.940 63.054 62.100 0.023 0.000 1.135 257 T CB -0.137 68.784 68.868 0.088 0.000 0.869 257 T HN -0.054 nan 8.240 nan 0.000 0.466 258 V N 1.253 121.222 119.914 0.091 0.000 2.358 258 V HA -0.077 4.063 4.120 0.034 0.000 0.246 258 V C 2.370 178.500 176.094 0.059 0.000 1.047 258 V CA 1.428 63.811 62.300 0.138 0.000 1.035 258 V CB -0.520 31.373 31.823 0.117 0.000 0.658 258 V HN 0.435 nan 8.190 nan 0.000 0.452 259 L N -0.614 120.613 121.223 0.006 0.000 2.141 259 L HA -0.174 4.186 4.340 0.034 0.000 0.209 259 L C 2.461 179.308 176.870 -0.039 0.000 1.094 259 L CA 1.812 56.617 54.840 -0.059 0.000 0.763 259 L CB -0.934 41.084 42.059 -0.069 0.000 0.908 259 L HN 0.468 nan 8.230 nan 0.000 0.437 260 H N -0.678 118.288 119.070 -0.174 0.000 2.387 260 H HA -0.223 4.353 4.556 0.033 0.000 0.299 260 H C 1.957 177.108 175.328 -0.295 0.000 1.099 260 H CA 1.764 57.655 56.048 -0.263 0.000 1.315 260 H CB 0.170 29.714 29.762 -0.364 0.000 1.380 260 H HN 0.310 nan 8.280 nan 0.000 0.513 261 Y N -0.063 120.153 120.300 -0.139 0.000 2.420 261 Y HA 0.007 4.577 4.550 0.033 0.000 0.292 261 Y C 2.331 178.172 175.900 -0.098 0.000 1.119 261 Y CA 0.435 58.433 58.100 -0.170 0.000 1.229 261 Y CB -0.019 38.361 38.460 -0.134 0.000 1.026 261 Y HN 0.196 nan 8.280 nan 0.000 0.554 262 M N -0.325 119.288 119.600 0.021 0.000 2.682 262 M HA -0.074 4.427 4.480 0.034 0.000 0.235 262 M C 0.073 176.316 176.300 -0.095 0.000 1.114 262 M CA 0.979 56.238 55.300 -0.070 0.000 1.053 262 M CB -0.107 32.375 32.600 -0.196 0.000 1.599 262 M HN 0.240 nan 8.290 nan 0.000 0.520 263 D N -1.258 119.117 120.400 -0.042 0.000 2.978 263 D HA -0.187 4.473 4.640 0.034 0.000 0.205 263 D C 0.946 177.222 176.300 -0.039 0.000 1.093 263 D CA 0.732 54.721 54.000 -0.018 0.000 1.006 263 D CB -0.858 39.935 40.800 -0.011 0.000 1.116 263 D HN 0.267 nan 8.370 nan 0.000 0.419 264 V N 0.146 120.006 119.914 -0.091 0.000 2.231 264 V HA -0.111 4.029 4.120 0.034 0.000 0.240 264 V C 1.505 177.566 176.094 -0.056 0.000 1.039 264 V CA 1.242 63.486 62.300 -0.095 0.000 0.998 264 V CB -0.067 31.650 31.823 -0.178 0.000 0.639 264 V HN 0.009 nan 8.190 nan 0.000 0.451 265 V N 0.601 120.481 119.914 -0.057 0.000 2.732 265 V HA 0.216 4.357 4.120 0.034 0.000 0.297 265 V C 1.090 177.138 176.094 -0.076 0.000 1.060 265 V CA 0.470 62.730 62.300 -0.067 0.000 1.038 265 V CB 1.319 33.098 31.823 -0.073 0.000 1.003 265 V HN 0.445 nan 8.190 nan 0.000 0.481 266 S N 2.025 117.650 115.700 -0.124 0.000 2.460 266 S HA 0.155 4.646 4.470 0.034 0.000 0.226 266 S C 0.347 174.740 174.600 -0.345 0.000 1.057 266 S CA 0.157 58.254 58.200 -0.172 0.000 0.948 266 S CB 0.544 63.685 63.200 -0.099 0.000 0.822 266 S HN 0.437 nan 8.310 nan 0.000 0.512 267 V N 4.577 124.342 119.914 -0.248 0.000 2.384 267 V HA 0.365 4.506 4.120 0.034 0.000 0.287 267 V C -2.342 173.636 176.094 -0.193 0.000 1.020 267 V CA -1.721 60.431 62.300 -0.247 0.000 0.850 267 V CB 1.843 33.604 31.823 -0.104 0.000 0.987 267 V HN 0.167 nan 8.190 nan 0.000 0.436 268 P HA 0.270 nan 4.420 nan 0.000 0.227 268 P C -0.394 176.901 177.300 -0.007 0.000 1.801 268 P CA -0.057 62.990 63.100 -0.089 0.000 0.971 268 P CB 0.167 31.839 31.700 -0.047 0.000 1.653 269 L N 0.006 121.246 121.223 0.029 0.000 2.360 269 L HA 0.417 4.777 4.340 0.034 0.000 0.271 269 L C 0.532 177.511 176.870 0.182 0.000 1.057 269 L CA -0.684 54.214 54.840 0.097 0.000 0.803 269 L CB 1.291 43.416 42.059 0.109 0.000 1.207 269 L HN 0.077 nan 8.230 nan 0.000 0.445 270 C N 1.020 120.411 119.300 0.151 0.000 2.401 270 C HA 0.502 4.982 4.460 0.034 0.000 0.356 270 C C 0.464 175.550 174.990 0.161 0.000 1.192 270 C CA -0.927 58.199 59.018 0.180 0.000 2.028 270 C CB 1.534 29.204 27.740 -0.118 0.000 2.344 270 C HN 0.731 nan 8.230 nan 0.000 0.525 271 R N 1.298 121.852 120.500 0.089 0.000 2.490 271 R HA 0.212 4.572 4.340 0.034 0.000 0.278 271 R C -0.141 176.239 176.300 0.134 0.000 1.069 271 R CA -0.469 55.580 56.100 -0.086 0.000 1.080 271 R CB 0.504 30.595 30.300 -0.350 0.000 1.030 271 R HN 0.540 nan 8.270 nan 0.000 0.491 272 K N 3.167 123.593 120.400 0.043 0.000 2.561 272 K HA -0.026 4.314 4.320 0.034 0.000 0.280 272 K C -1.553 175.064 176.600 0.029 0.000 0.975 272 K CA -0.753 55.562 56.287 0.047 0.000 1.024 272 K CB 0.213 32.716 32.500 0.006 0.000 0.883 272 K HN 0.485 nan 8.250 nan 0.000 0.496 273 P HA 0.092 nan 4.420 nan 0.000 0.256 273 P C -0.381 176.894 177.300 -0.042 0.000 1.384 273 P CA -0.221 62.857 63.100 -0.037 0.000 0.879 273 P CB 0.124 31.773 31.700 -0.084 0.000 1.403 274 F N 1.269 121.242 119.950 0.039 0.000 2.518 274 F HA 0.380 4.927 4.527 0.035 0.000 0.359 274 F C 1.808 177.634 175.800 0.043 0.000 1.118 274 F CA 0.704 58.736 58.000 0.052 0.000 1.287 274 F CB 0.380 39.434 39.000 0.092 0.000 1.132 274 F HN -0.043 nan 8.300 nan 0.000 0.587 275 G N 2.428 111.385 108.800 0.262 0.000 2.552 275 G HA2 0.624 4.605 3.960 0.034 0.000 0.318 275 G HA3 0.624 4.605 3.960 0.034 0.000 0.318 275 G C -2.704 172.291 174.900 0.158 0.000 1.240 275 G CA -1.414 43.784 45.100 0.163 0.000 1.002 275 G HN 0.398 nan 8.290 nan 0.000 0.493 276 P HA 0.262 nan 4.420 nan 0.000 0.274 276 P C -0.053 177.322 177.300 0.126 0.000 1.246 276 P CA -0.381 62.784 63.100 0.109 0.000 0.795 276 P CB 1.071 32.824 31.700 0.088 0.000 1.006 277 V N 1.282 121.274 119.914 0.131 0.000 2.811 277 V HA -0.004 4.136 4.120 0.034 0.000 0.302 277 V C 0.954 177.168 176.094 0.200 0.000 1.063 277 V CA 0.125 62.530 62.300 0.175 0.000 1.088 277 V CB -0.144 31.785 31.823 0.175 0.000 0.982 277 V HN 0.550 nan 8.190 nan 0.000 0.485 278 D N 2.793 123.368 120.400 0.291 0.000 2.450 278 D HA 0.025 4.685 4.640 0.034 0.000 0.247 278 D C 1.257 177.608 176.300 0.084 0.000 1.162 278 D CA 0.307 54.403 54.000 0.159 0.000 0.879 278 D CB 0.887 41.732 40.800 0.074 0.000 1.163 278 D HN 0.661 nan 8.370 nan 0.000 0.472 279 E N 2.506 122.729 120.200 0.037 0.000 2.187 279 E HA -0.299 4.071 4.350 0.034 0.000 0.199 279 E C 1.769 178.356 176.600 -0.020 0.000 1.004 279 E CA 1.441 57.860 56.400 0.032 0.000 0.813 279 E CB 0.071 29.784 29.700 0.022 0.000 0.736 279 E HN 0.592 nan 8.360 nan 0.000 0.468 280 K N -0.096 120.216 120.400 -0.146 0.000 2.209 280 K HA -0.173 4.168 4.320 0.034 0.000 0.204 280 K C 1.176 177.668 176.600 -0.180 0.000 1.048 280 K CA 1.378 57.533 56.287 -0.221 0.000 0.940 280 K CB -0.252 32.040 32.500 -0.347 0.000 0.729 280 K HN 0.170 nan 8.250 nan 0.000 0.451 281 Y N 1.514 121.839 120.300 0.041 0.000 2.529 281 Y HA 0.153 4.724 4.550 0.035 0.000 0.290 281 Y C 1.784 177.713 175.900 0.048 0.000 1.177 281 Y CA -0.128 57.997 58.100 0.042 0.000 1.305 281 Y CB -0.155 38.335 38.460 0.050 0.000 1.047 281 Y HN -0.039 nan 8.280 nan 0.000 0.522 282 L N 0.248 121.572 121.223 0.167 0.000 2.005 282 L HA -0.112 4.248 4.340 0.034 0.000 0.207 282 L C -0.244 176.635 176.870 0.015 0.000 1.072 282 L CA 1.158 56.085 54.840 0.145 0.000 0.744 282 L CB -1.723 40.431 42.059 0.158 0.000 0.895 282 L HN 0.108 nan 8.230 nan 0.000 0.433 283 P HA -0.223 nan 4.420 nan 0.000 0.217 283 P C 1.377 178.647 177.300 -0.049 0.000 1.151 283 P CA 1.489 64.545 63.100 -0.072 0.000 0.849 283 P CB 0.072 31.750 31.700 -0.037 0.000 0.787 284 E N -0.992 119.220 120.200 0.019 0.000 2.107 284 E HA -0.108 4.263 4.350 0.034 0.000 0.191 284 E C 1.825 178.444 176.600 0.031 0.000 0.982 284 E CA 0.699 57.121 56.400 0.037 0.000 0.809 284 E CB -0.373 29.380 29.700 0.089 0.000 0.756 284 E HN 0.163 nan 8.360 nan 0.000 0.459 285 L N 0.588 121.845 121.223 0.056 0.000 2.095 285 L HA -0.094 4.266 4.340 0.034 0.000 0.204 285 L C 2.587 179.464 176.870 0.012 0.000 1.080 285 L CA 0.992 55.884 54.840 0.088 0.000 0.759 285 L CB -0.326 41.847 42.059 0.191 0.000 0.914 285 L HN -0.005 nan 8.230 nan 0.000 0.439 286 K N 0.598 120.861 120.400 -0.227 0.000 2.113 286 K HA -0.214 4.126 4.320 0.034 0.000 0.208 286 K C 1.811 178.233 176.600 -0.296 0.000 1.047 286 K CA 1.676 57.560 56.287 -0.672 0.000 0.928 286 K CB -0.060 31.929 32.500 -0.851 0.000 0.716 286 K HN 0.323 nan 8.250 nan 0.000 0.446 287 A N 0.265 122.995 122.820 -0.151 0.000 2.267 287 A HA 0.071 4.411 4.320 0.034 0.000 0.213 287 A C 1.662 179.235 177.584 -0.017 0.000 1.192 287 A CA -0.021 51.970 52.037 -0.076 0.000 0.851 287 A CB -0.075 18.889 19.000 -0.059 0.000 0.881 287 A HN 0.324 nan 8.150 nan 0.000 0.494 288 L N -0.109 121.116 121.223 0.003 0.000 2.056 288 L HA 0.026 4.386 4.340 0.034 0.000 0.207 288 L C 2.518 179.426 176.870 0.063 0.000 1.078 288 L CA 2.169 57.034 54.840 0.040 0.000 0.749 288 L CB -0.712 41.379 42.059 0.053 0.000 0.901 288 L HN 0.306 nan 8.230 nan 0.000 0.433 289 A N -1.139 121.717 122.820 0.060 0.000 1.902 289 A HA -0.244 4.096 4.320 0.034 0.000 0.217 289 A C 2.229 179.851 177.584 0.065 0.000 1.181 289 A CA 1.809 53.896 52.037 0.084 0.000 0.623 289 A CB -0.550 18.518 19.000 0.114 0.000 0.818 289 A HN 0.596 nan 8.150 nan 0.000 0.443 290 Q N -0.939 118.875 119.800 0.023 0.000 2.046 290 Q HA -0.206 4.154 4.340 0.034 0.000 0.200 290 Q C 2.355 178.377 176.000 0.038 0.000 0.975 290 Q CA 1.715 57.528 55.803 0.017 0.000 0.836 290 Q CB -0.225 28.504 28.738 -0.015 0.000 0.896 290 Q HN 0.825 nan 8.270 nan 0.000 0.428 291 Q N 0.477 120.300 119.800 0.039 0.000 2.047 291 Q HA -0.256 4.104 4.340 0.034 0.000 0.211 291 Q C 1.977 178.041 176.000 0.106 0.000 1.005 291 Q CA 1.698 57.538 55.803 0.060 0.000 0.866 291 Q CB -0.243 28.529 28.738 0.057 0.000 0.938 291 Q HN 0.418 nan 8.270 nan 0.000 0.414 292 L N -0.298 121.014 121.223 0.149 0.000 2.056 292 L HA -0.171 4.189 4.340 0.034 0.000 0.207 292 L C 2.678 179.706 176.870 0.262 0.000 1.078 292 L CA 0.989 55.994 54.840 0.275 0.000 0.749 292 L CB -0.293 41.951 42.059 0.308 0.000 0.901 292 L HN 0.434 nan 8.230 nan 0.000 0.433 293 M N -1.010 118.688 119.600 0.163 0.000 2.149 293 M HA -0.280 4.220 4.480 0.034 0.000 0.261 293 M C 2.043 178.362 176.300 0.031 0.000 1.064 293 M CA 1.764 57.124 55.300 0.100 0.000 1.102 293 M CB -0.410 32.225 32.600 0.059 0.000 1.369 293 M HN 0.268 nan 8.290 nan 0.000 0.408 294 Q N -0.336 119.483 119.800 0.032 0.000 2.472 294 Q HA -0.105 4.255 4.340 0.034 0.000 0.208 294 Q C 1.620 177.601 176.000 -0.031 0.000 0.958 294 Q CA 0.631 56.433 55.803 -0.002 0.000 0.932 294 Q CB 0.099 28.843 28.738 0.010 0.000 1.007 294 Q HN 0.543 nan 8.270 nan 0.000 0.508 295 E N 0.301 120.483 120.200 -0.029 0.000 2.400 295 E HA -0.012 4.359 4.350 0.034 0.000 0.195 295 E C 0.649 177.030 176.600 -0.364 0.000 1.012 295 E CA -0.159 56.191 56.400 -0.083 0.000 0.875 295 E CB 0.551 30.323 29.700 0.120 0.000 0.859 295 E HN 0.076 nan 8.360 nan 0.000 0.498 296 R N 0.000 120.217 120.500 -0.471 0.000 2.786 296 R HA 0.000 4.360 4.340 0.034 0.000 0.208 296 R CA 0.000 55.667 56.100 -0.722 0.000 0.921 296 R CB 0.000 29.845 30.300 -0.759 0.000 0.687 296 R HN 0.000 nan 8.270 nan 0.000 0.535