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 2qqp_1_E DATA FIRST_RESID 40 DATA SEQUENCE QATILKPQLL PGESVAPSGG RGTMDPPVHE ICAQSIDPSE GAVGWFYKYM DATA SEQUENCE DPAGAVESGK ALGEFSKVPD GLLRYSVDAE QRPIVTIECP TVSESDLPLD DATA SEQUENCE GKLWRVSFIS FPAFRLNFIA LANINNEALT LETRNTFIQT LNNITNWRDL DATA SEQUENCE GTGQWAQFAP GWYYSIYVLP NTYAMAEIGD RTDSVTQFRK VYKGITFEFN DATA SEQUENCE APTLIDQGWW VGAHIPVKPQ SETIPAAERF SAGSMTVSAS NAIFQPSNTV DATA SEQUENCE ARIVWSITPL PVATVALTTG TGGTNNTSGK FFSVEIDGNV NSVWTFTAPA DATA SEQUENCE SILAEGEPFA EEGDTTSFSM TTITADTVVY SVSSSLTGSS VIVRGVTKGS DATA SEQUENCE GVSITPVTVG IDTEAVNRLS IEMPALTTEE VTTNVPKYEQ FLCKESGGAY DATA SEQUENCE IVHYKMNNPV FEMTGEENFG GFQFHYPGYD PENNALGLRG IVDTFENNFS DATA SEQUENCE SAVVHFWGIS QSATIVCKTY DGWEGTTNAG STVGQFAHTG AEEEDEVVQL DATA SEQUENCE ANRLQMELTG VYQADDN 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 40 Q HA 0.000 nan 4.340 nan 0.000 0.214 40 Q C 0.000 176.024 176.000 0.040 0.000 1.003 40 Q CA 0.000 55.825 55.803 0.036 0.000 1.022 40 Q CB 0.000 28.761 28.738 0.038 0.000 1.108 41 A N 0.868 123.720 122.820 0.053 0.000 2.481 41 A HA 0.691 5.011 4.320 0.000 0.000 0.295 41 A C -1.339 176.285 177.584 0.066 0.000 0.986 41 A CA -0.202 51.869 52.037 0.055 0.000 0.617 41 A CB 0.989 20.009 19.000 0.032 0.000 1.364 41 A HN 0.650 nan 8.150 nan 0.000 0.452 42 T N 0.959 115.546 114.554 0.055 0.000 2.859 42 T HA 0.691 5.041 4.350 0.000 0.000 0.281 42 T C -0.221 174.444 174.700 -0.058 0.000 1.005 42 T CA -0.068 62.026 62.100 -0.010 0.000 1.025 42 T CB 0.661 69.551 68.868 0.036 0.000 0.977 42 T HN 0.482 nan 8.240 nan 0.000 0.458 43 I N 2.504 123.004 120.570 -0.117 0.000 2.693 43 I HA 0.619 4.789 4.170 0.000 0.000 0.303 43 I C -1.214 174.843 176.117 -0.100 0.000 1.025 43 I CA -1.126 60.124 61.300 -0.082 0.000 1.086 43 I CB 2.046 40.009 38.000 -0.062 0.000 1.268 43 I HN 0.297 nan 8.210 nan 0.000 0.440 44 L N 5.265 126.451 121.223 -0.062 0.000 2.541 44 L HA 0.407 4.747 4.340 0.000 0.000 0.266 44 L C -0.980 175.868 176.870 -0.036 0.000 0.966 44 L CA -0.372 54.436 54.840 -0.054 0.000 0.871 44 L CB 1.206 43.239 42.059 -0.044 0.000 1.232 44 L HN 0.439 nan 8.230 nan 0.000 0.408 45 K N 5.674 126.054 120.400 -0.033 0.000 2.185 45 K HA 0.550 4.870 4.320 0.000 0.000 0.271 45 K C -2.335 174.253 176.600 -0.020 0.000 1.013 45 K CA -1.520 54.754 56.287 -0.023 0.000 0.943 45 K CB 0.424 32.913 32.500 -0.019 0.000 0.998 45 K HN 0.451 nan 8.250 nan 0.000 0.468 46 P HA 0.079 nan 4.420 nan 0.000 0.281 46 P C -0.344 176.948 177.300 -0.013 0.000 1.249 46 P CA -0.395 62.697 63.100 -0.014 0.000 0.810 46 P CB 1.167 32.861 31.700 -0.011 0.000 1.008 47 Q N 0.629 120.421 119.800 -0.014 0.000 2.167 47 Q HA 0.069 4.409 4.340 0.000 0.000 0.202 47 Q C 0.569 176.563 176.000 -0.011 0.000 0.970 47 Q CA 1.193 56.987 55.803 -0.014 0.000 0.855 47 Q CB -0.325 28.404 28.738 -0.016 0.000 0.911 47 Q HN 0.445 nan 8.270 nan 0.000 0.438 48 L N 1.985 123.202 121.223 -0.009 0.000 2.264 48 L HA 0.339 4.679 4.340 0.000 0.000 0.289 48 L C -0.048 176.818 176.870 -0.006 0.000 1.044 48 L CA -0.410 54.426 54.840 -0.007 0.000 0.807 48 L CB 0.638 42.693 42.059 -0.007 0.000 1.192 48 L HN 0.103 nan 8.230 nan 0.000 0.425 49 L N 6.093 127.313 121.223 -0.005 0.000 2.416 49 L HA 0.198 4.538 4.340 0.000 0.000 0.272 49 L C -1.542 175.326 176.870 -0.003 0.000 1.161 49 L CA -1.722 53.115 54.840 -0.004 0.000 0.845 49 L CB 0.201 42.259 42.059 -0.002 0.000 1.119 49 L HN 0.391 nan 8.230 nan 0.000 0.464 50 P HA -0.181 nan 4.420 nan 0.000 0.231 50 P C 0.847 178.145 177.300 -0.003 0.000 1.048 50 P CA 1.441 64.539 63.100 -0.003 0.000 0.925 50 P CB 0.024 31.723 31.700 -0.003 0.000 0.852 51 G N 2.187 110.986 108.800 -0.003 0.000 2.284 51 G HA2 -0.232 3.728 3.960 0.000 0.000 0.216 51 G HA3 -0.232 3.728 3.960 0.000 0.000 0.216 51 G C 0.150 175.048 174.900 -0.003 0.000 1.009 51 G CA -0.027 45.072 45.100 -0.002 0.000 0.625 51 G HN 0.623 nan 8.290 nan 0.000 0.501 52 E N 1.387 121.585 120.200 -0.003 0.000 2.558 52 E HA 0.341 4.691 4.350 0.000 0.000 0.255 52 E C 0.115 176.713 176.600 -0.004 0.000 0.968 52 E CA 0.708 57.106 56.400 -0.003 0.000 0.939 52 E CB 0.209 29.907 29.700 -0.004 0.000 0.921 52 E HN 0.204 nan 8.360 nan 0.000 0.477 53 S N 4.972 120.670 115.700 -0.004 0.000 2.468 53 S HA 0.233 4.703 4.470 0.000 0.000 0.190 53 S C -0.541 174.056 174.600 -0.005 0.000 1.445 53 S CA -0.801 57.397 58.200 -0.004 0.000 1.084 53 S CB 0.148 63.346 63.200 -0.003 0.000 1.175 53 S HN 0.338 nan 8.310 nan 0.000 0.484 54 V N 3.432 123.343 119.914 -0.006 0.000 3.003 54 V HA 0.555 4.675 4.120 0.000 0.000 0.305 54 V C 1.180 177.270 176.094 -0.006 0.000 1.078 54 V CA -0.108 62.188 62.300 -0.006 0.000 1.083 54 V CB 1.094 32.912 31.823 -0.008 0.000 1.039 54 V HN 0.856 nan 8.190 nan 0.000 0.481 55 A N 5.180 127.996 122.820 -0.007 0.000 2.251 55 A HA 0.458 4.778 4.320 0.000 0.000 0.278 55 A C -0.915 176.665 177.584 -0.007 0.000 1.206 55 A CA -0.719 51.314 52.037 -0.006 0.000 0.822 55 A CB -0.515 18.481 19.000 -0.006 0.000 1.187 55 A HN 0.753 nan 8.150 nan 0.000 0.504 56 P HA 0.027 nan 4.420 nan 0.000 0.242 56 P C 0.435 177.730 177.300 -0.009 0.000 1.197 56 P CA 1.449 64.545 63.100 -0.008 0.000 0.765 56 P CB 0.636 32.332 31.700 -0.007 0.000 0.936 57 S N -1.997 113.697 115.700 -0.010 0.000 2.874 57 S HA 0.338 4.808 4.470 0.000 0.000 0.257 57 S C 1.044 175.636 174.600 -0.012 0.000 0.975 57 S CA 0.079 58.273 58.200 -0.011 0.000 1.326 57 S CB -0.280 62.913 63.200 -0.011 0.000 1.215 57 S HN 0.204 nan 8.310 nan 0.000 0.679 58 G N 0.941 109.734 108.800 -0.011 0.000 2.679 58 G HA2 0.534 4.494 3.960 0.000 0.000 0.202 58 G HA3 0.534 4.494 3.960 0.000 0.000 0.202 58 G C 0.958 175.850 174.900 -0.013 0.000 1.566 58 G CA 0.320 45.413 45.100 -0.011 0.000 1.074 58 G HN 1.323 nan 8.290 nan 0.000 0.564 59 G N -0.480 108.313 108.800 -0.012 0.000 2.552 59 G HA2 -0.146 3.814 3.960 0.000 0.000 0.265 59 G HA3 -0.146 3.814 3.960 0.000 0.000 0.265 59 G C 0.311 175.201 174.900 -0.016 0.000 1.234 59 G CA 0.760 45.852 45.100 -0.013 0.000 0.944 59 G HN 1.157 nan 8.290 nan 0.000 0.568 60 R N -0.467 120.022 120.500 -0.019 0.000 2.893 60 R HA 0.718 5.058 4.340 0.000 0.000 0.245 60 R C 1.105 177.387 176.300 -0.029 0.000 1.192 60 R CA -0.305 55.780 56.100 -0.024 0.000 1.077 60 R CB 1.176 31.463 30.300 -0.021 0.000 1.253 60 R HN 1.196 nan 8.270 nan 0.000 0.505 61 G N -0.203 108.575 108.800 -0.036 0.000 3.192 61 G HA2 0.058 4.018 3.960 0.000 0.000 0.239 61 G HA3 0.058 4.018 3.960 0.000 0.000 0.239 61 G C 0.114 174.985 174.900 -0.048 0.000 1.084 61 G CA 0.093 45.169 45.100 -0.040 0.000 0.784 61 G HN 0.696 nan 8.290 nan 0.000 0.540 62 T N -2.900 111.626 114.554 -0.048 0.000 2.936 62 T HA 0.679 5.029 4.350 0.000 0.000 0.282 62 T C 0.016 174.684 174.700 -0.054 0.000 1.003 62 T CA -0.811 61.254 62.100 -0.059 0.000 1.005 62 T CB 2.235 71.074 68.868 -0.049 0.000 1.097 62 T HN -0.074 nan 8.240 nan 0.000 0.532 63 M N 1.847 121.404 119.600 -0.071 0.000 3.951 63 M HA 0.203 4.683 4.480 0.000 0.000 0.444 63 M C -1.399 174.863 176.300 -0.063 0.000 1.957 63 M CA -0.446 54.819 55.300 -0.058 0.000 0.521 63 M CB -0.032 32.535 32.600 -0.056 0.000 1.436 63 M HN 0.699 nan 8.290 nan 0.000 0.525 64 D N 2.667 123.038 120.400 -0.048 0.000 7.932 64 D HA -0.136 4.505 4.640 0.000 0.000 0.126 64 D C -2.390 173.884 176.300 -0.044 0.000 1.199 64 D CA 0.809 54.790 54.000 -0.031 0.000 0.846 64 D CB -0.054 40.740 40.800 -0.011 0.000 1.666 64 D HN 0.252 nan 8.370 nan 0.000 0.958 65 P HA 0.024 nan 4.420 nan 0.000 0.261 65 P C -2.022 175.256 177.300 -0.038 0.000 1.183 65 P CA -0.698 62.382 63.100 -0.034 0.000 0.761 65 P CB 0.011 31.714 31.700 0.006 0.000 0.785 66 P HA -0.153 nan 4.420 nan 0.000 0.273 66 P C -0.674 176.450 177.300 -0.294 0.000 1.193 66 P CA 0.569 63.553 63.100 -0.193 0.000 0.777 66 P CB 0.193 31.750 31.700 -0.239 0.000 0.803 67 V N 3.145 122.874 119.914 -0.308 0.000 2.318 67 V HA 0.123 4.243 4.120 0.000 0.000 0.271 67 V C 0.884 176.802 176.094 -0.293 0.000 1.030 67 V CA -0.291 61.876 62.300 -0.221 0.000 0.844 67 V CB -0.101 31.663 31.823 -0.100 0.000 1.015 67 V HN 0.543 nan 8.190 nan 0.000 0.460 68 H N 3.601 122.688 119.070 0.028 0.000 2.595 68 H HA 0.168 4.724 4.556 0.000 0.000 0.264 68 H C 0.752 176.102 175.328 0.036 0.000 1.503 68 H CA -0.213 55.853 56.048 0.029 0.000 1.142 68 H CB 0.210 29.991 29.762 0.031 0.000 1.554 68 H HN 0.829 nan 8.280 nan 0.000 0.501 69 E N 1.077 121.326 120.200 0.082 0.000 2.376 69 E HA 0.144 4.494 4.350 0.000 0.000 0.266 69 E C -0.145 176.499 176.600 0.074 0.000 1.009 69 E CA -0.301 56.144 56.400 0.075 0.000 0.902 69 E CB 1.061 30.786 29.700 0.041 0.000 0.972 69 E HN 0.267 nan 8.360 nan 0.000 0.439 70 I N 2.170 122.786 120.570 0.077 0.000 2.945 70 I HA 0.092 4.262 4.170 0.000 0.000 0.292 70 I C 0.178 176.322 176.117 0.044 0.000 1.093 70 I CA -0.738 60.599 61.300 0.062 0.000 1.336 70 I CB 0.798 38.837 38.000 0.065 0.000 1.435 70 I HN 0.608 nan 8.210 nan 0.000 0.593 71 C N 3.098 122.419 119.300 0.035 0.000 2.470 71 C HA 0.928 5.388 4.460 0.000 0.000 0.341 71 C C 0.324 175.325 174.990 0.019 0.000 1.190 71 C CA -0.172 58.861 59.018 0.024 0.000 1.904 71 C CB 1.149 28.902 27.740 0.021 0.000 2.354 71 C HN 0.909 nan 8.230 nan 0.000 0.509 72 A N 0.719 123.546 122.820 0.012 0.000 2.583 72 A HA 0.568 4.888 4.320 0.000 0.000 0.289 72 A C 0.344 177.931 177.584 0.005 0.000 1.151 72 A CA -0.310 51.731 52.037 0.008 0.000 0.695 72 A CB 0.719 19.721 19.000 0.002 0.000 1.290 72 A HN 0.840 nan 8.150 nan 0.000 0.419 73 Q N 0.059 119.861 119.800 0.003 0.000 2.226 73 Q HA -0.155 4.185 4.340 0.000 0.000 0.204 73 Q C 1.313 177.313 176.000 0.001 0.000 0.975 73 Q CA 2.626 58.431 55.803 0.003 0.000 0.866 73 Q CB -0.030 28.709 28.738 0.002 0.000 0.915 73 Q HN 0.967 nan 8.270 nan 0.000 0.440 74 S N -1.231 114.468 115.700 -0.001 0.000 2.628 74 S HA 0.253 4.723 4.470 0.000 0.000 0.246 74 S C 0.592 175.191 174.600 -0.003 0.000 1.062 74 S CA -0.265 57.934 58.200 -0.002 0.000 1.028 74 S CB 0.148 63.346 63.200 -0.003 0.000 0.985 74 S HN 0.436 nan 8.310 nan 0.000 0.551 75 I N -0.576 119.992 120.570 -0.003 0.000 3.191 75 I HA 0.784 4.954 4.170 0.000 0.000 0.313 75 I C -2.228 173.891 176.117 0.004 0.000 1.193 75 I CA -1.156 60.143 61.300 -0.003 0.000 0.968 75 I CB 2.233 40.227 38.000 -0.010 0.000 1.262 75 I HN 0.005 nan 8.210 nan 0.000 0.456 76 D N 0.535 120.940 120.400 0.009 0.000 2.849 76 D HA 0.417 5.057 4.640 0.000 0.000 0.314 76 D C -2.897 173.419 176.300 0.028 0.000 1.210 76 D CA -1.197 52.814 54.000 0.019 0.000 0.756 76 D CB 0.829 41.638 40.800 0.016 0.000 1.222 76 D HN 0.254 nan 8.370 nan 0.000 0.521 77 P HA 0.114 nan 4.420 nan 0.000 0.269 77 P C 0.126 177.473 177.300 0.078 0.000 1.209 77 P CA -0.307 62.827 63.100 0.056 0.000 0.776 77 P CB 0.876 32.615 31.700 0.065 0.000 0.876 78 S N 0.787 116.539 115.700 0.086 0.000 2.565 78 S HA 0.160 4.630 4.470 0.000 0.000 0.274 78 S C 1.039 175.726 174.600 0.145 0.000 1.309 78 S CA -0.545 57.716 58.200 0.101 0.000 1.043 78 S CB 0.609 63.856 63.200 0.078 0.000 0.939 78 S HN 0.402 nan 8.310 nan 0.000 0.504 79 E N 2.232 122.525 120.200 0.154 0.000 2.208 79 E HA -0.202 4.148 4.350 0.000 0.000 0.202 79 E C 1.989 178.717 176.600 0.214 0.000 1.014 79 E CA 1.498 58.001 56.400 0.173 0.000 0.819 79 E CB -0.614 29.174 29.700 0.145 0.000 0.735 79 E HN 0.898 nan 8.360 nan 0.000 0.469 80 G N 0.794 109.705 108.800 0.185 0.000 2.394 80 G HA2 -0.159 3.801 3.960 0.000 0.000 0.214 80 G HA3 -0.159 3.801 3.960 0.000 0.000 0.214 80 G C 1.669 176.757 174.900 0.313 0.000 1.176 80 G CA 0.686 45.910 45.100 0.207 0.000 0.786 80 G HN 0.366 nan 8.290 nan 0.000 0.533 81 A N 0.367 123.334 122.820 0.244 0.000 1.865 81 A HA -0.015 4.305 4.320 0.000 0.000 0.217 81 A C 2.627 180.489 177.584 0.463 0.000 1.191 81 A CA 2.243 54.450 52.037 0.283 0.000 0.623 81 A CB -0.889 18.207 19.000 0.160 0.000 0.826 81 A HN 0.284 nan 8.150 nan 0.000 0.444 82 V N 0.013 120.148 119.914 0.368 0.000 2.220 82 V HA -0.199 3.921 4.120 0.000 0.000 0.246 82 V C 2.898 179.352 176.094 0.600 0.000 1.049 82 V CA 2.123 64.683 62.300 0.434 0.000 1.003 82 V CB -1.860 30.168 31.823 0.341 0.000 0.634 82 V HN 0.623 nan 8.190 nan 0.000 0.444 83 G N -1.061 108.035 108.800 0.494 0.000 2.574 83 G HA2 -0.387 3.573 3.960 0.000 0.000 0.220 83 G HA3 -0.387 3.573 3.960 0.000 0.000 0.220 83 G C 1.324 176.518 174.900 0.490 0.000 1.173 83 G CA 1.272 46.667 45.100 0.492 0.000 0.772 83 G HN 0.662 nan 8.290 nan 0.000 0.585 84 W N 0.949 122.482 121.300 0.388 0.000 2.302 84 W HA -0.163 4.497 4.660 0.000 0.000 0.320 84 W C 2.208 178.904 176.519 0.295 0.000 1.241 84 W CA 2.039 59.580 57.345 0.327 0.000 1.264 84 W CB -0.784 28.869 29.460 0.321 0.000 1.154 84 W HN 0.155 nan 8.180 nan 0.000 0.483 85 F N 0.304 120.342 119.950 0.146 0.000 2.045 85 F HA -0.377 4.150 4.527 0.000 0.000 0.297 85 F C 2.199 177.738 175.800 -0.434 0.000 1.114 85 F CA 2.792 60.632 58.000 -0.266 0.000 1.207 85 F CB -1.350 37.611 39.000 -0.065 0.000 0.964 85 F HN -0.005 nan 8.300 nan 0.000 0.486 86 Y N 0.488 120.761 120.300 -0.045 0.000 2.128 86 Y HA -0.231 4.319 4.550 0.000 0.000 0.284 86 Y C 2.516 178.170 175.900 -0.410 0.000 1.154 86 Y CA 1.715 59.689 58.100 -0.210 0.000 1.149 86 Y CB -0.755 37.690 38.460 -0.025 0.000 0.976 86 Y HN -0.052 nan 8.280 nan 0.000 0.505 87 K N -0.412 119.809 120.400 -0.299 0.000 2.032 87 K HA -0.242 4.078 4.320 0.000 0.000 0.209 87 K C 2.041 178.218 176.600 -0.705 0.000 1.048 87 K CA 1.697 57.603 56.287 -0.634 0.000 0.927 87 K CB -1.176 30.761 32.500 -0.939 0.000 0.712 87 K HN 0.413 nan 8.250 nan 0.000 0.441 88 Y N 0.850 120.593 120.300 -0.928 0.000 2.256 88 Y HA -0.197 4.353 4.550 0.000 0.000 0.288 88 Y C 2.237 177.881 175.900 -0.426 0.000 1.155 88 Y CA 1.386 59.118 58.100 -0.613 0.000 1.203 88 Y CB -0.151 37.605 38.460 -1.173 0.000 0.980 88 Y HN -0.042 nan 8.280 nan 0.000 0.530 89 M N -0.091 119.070 119.600 -0.732 0.000 2.171 89 M HA 0.019 4.499 4.480 0.000 0.000 0.260 89 M C 0.414 176.458 176.300 -0.425 0.000 1.087 89 M CA 1.866 56.743 55.300 -0.704 0.000 1.154 89 M CB -0.150 31.956 32.600 -0.823 0.000 1.331 89 M HN 0.193 nan 8.290 nan 0.000 0.431 90 D N -0.345 119.863 120.400 -0.319 0.000 2.886 90 D HA 0.216 4.856 4.640 0.000 0.000 0.355 90 D C -2.038 174.175 176.300 -0.145 0.000 1.274 90 D CA -2.118 51.789 54.000 -0.155 0.000 0.836 90 D CB 0.407 41.112 40.800 -0.159 0.000 1.109 90 D HN 0.031 nan 8.370 nan 0.000 0.488 91 P HA -0.364 nan 4.420 nan 0.000 0.208 91 P C 1.365 178.412 177.300 -0.421 0.000 0.999 91 P CA 2.292 65.235 63.100 -0.262 0.000 0.988 91 P CB -0.034 31.651 31.700 -0.024 0.000 0.745 92 A N -0.050 122.441 122.820 -0.549 0.000 1.903 92 A HA -0.195 4.125 4.320 0.000 0.000 0.219 92 A C 2.669 179.905 177.584 -0.581 0.000 1.191 92 A CA 3.030 54.443 52.037 -1.040 0.000 0.638 92 A CB -1.967 16.677 19.000 -0.593 0.000 0.823 92 A HN 0.438 nan 8.150 nan 0.000 0.451 93 G N -0.942 107.612 108.800 -0.411 0.000 2.464 93 G HA2 0.033 3.993 3.960 0.000 0.000 0.214 93 G HA3 0.033 3.993 3.960 0.000 0.000 0.214 93 G C 1.814 176.564 174.900 -0.251 0.000 1.218 93 G CA 1.613 46.506 45.100 -0.344 0.000 0.794 93 G HN 1.050 nan 8.290 nan 0.000 0.542 94 A N -0.204 122.490 122.820 -0.210 0.000 2.067 94 A HA -0.072 4.248 4.320 0.000 0.000 0.224 94 A C 2.546 180.016 177.584 -0.191 0.000 1.172 94 A CA 2.283 54.221 52.037 -0.164 0.000 0.662 94 A CB -0.584 18.355 19.000 -0.100 0.000 0.814 94 A HN 0.328 nan 8.150 nan 0.000 0.468 95 V N 0.466 120.245 119.914 -0.224 0.000 2.256 95 V HA -0.223 3.897 4.120 0.000 0.000 0.240 95 V C 2.419 178.449 176.094 -0.107 0.000 1.036 95 V CA 1.982 64.184 62.300 -0.163 0.000 1.008 95 V CB -0.917 30.833 31.823 -0.122 0.000 0.648 95 V HN 0.910 nan 8.190 nan 0.000 0.453 96 E N 0.029 120.157 120.200 -0.120 0.000 2.478 96 E HA -0.136 4.214 4.350 0.000 0.000 0.198 96 E C 1.992 178.530 176.600 -0.104 0.000 1.046 96 E CA 1.134 57.480 56.400 -0.090 0.000 0.870 96 E CB -0.140 29.502 29.700 -0.097 0.000 0.818 96 E HN 0.426 nan 8.360 nan 0.000 0.527 97 S N -0.607 115.014 115.700 -0.131 0.000 2.501 97 S HA 0.165 4.635 4.470 0.000 0.000 0.220 97 S C 1.556 176.082 174.600 -0.124 0.000 0.997 97 S CA 0.807 58.929 58.200 -0.130 0.000 0.919 97 S CB -0.280 62.832 63.200 -0.147 0.000 0.778 97 S HN 0.680 nan 8.310 nan 0.000 0.523 98 G N 1.126 109.858 108.800 -0.112 0.000 2.234 98 G HA2 -0.292 3.668 3.960 0.000 0.000 0.260 98 G HA3 -0.292 3.668 3.960 0.000 0.000 0.260 98 G C 0.815 175.633 174.900 -0.136 0.000 0.987 98 G CA 0.695 45.738 45.100 -0.095 0.000 0.625 98 G HN 0.553 nan 8.290 nan 0.000 0.532 99 K N 0.775 121.040 120.400 -0.225 0.000 2.486 99 K HA 0.504 4.824 4.320 0.000 0.000 0.194 99 K C 1.528 177.970 176.600 -0.264 0.000 1.033 99 K CA 0.506 56.544 56.287 -0.416 0.000 1.004 99 K CB 0.222 32.238 32.500 -0.807 0.000 0.798 99 K HN 0.651 nan 8.250 nan 0.000 0.495 100 A N 1.781 124.536 122.820 -0.107 0.000 2.351 100 A HA 0.620 4.940 4.320 0.000 0.000 0.257 100 A C -0.077 177.638 177.584 0.219 0.000 1.087 100 A CA -0.408 51.646 52.037 0.029 0.000 0.798 100 A CB 0.045 18.962 19.000 -0.138 0.000 1.033 100 A HN 0.351 nan 8.150 nan 0.000 0.488 101 L N -2.573 118.956 121.223 0.509 0.000 3.067 101 L HA 0.657 4.997 4.340 0.000 0.000 0.252 101 L C 0.213 177.235 176.870 0.254 0.000 0.984 101 L CA -0.623 54.430 54.840 0.355 0.000 1.032 101 L CB 0.366 42.531 42.059 0.176 0.000 1.505 101 L HN 2.396 nan 8.230 nan 0.000 0.408 102 G N 0.644 109.488 108.800 0.073 0.000 2.622 102 G HA2 -0.197 3.763 3.960 0.000 0.000 0.272 102 G HA3 -0.197 3.763 3.960 0.000 0.000 0.272 102 G C 0.058 174.839 174.900 -0.199 0.000 1.308 102 G CA 0.503 45.604 45.100 0.001 0.000 0.919 102 G HN 1.011 nan 8.290 nan 0.000 0.565 103 E N 1.301 121.441 120.200 -0.101 0.000 3.187 103 E HA 0.070 4.420 4.350 0.000 0.000 0.297 103 E C 1.721 178.322 176.600 0.002 0.000 1.515 103 E CA 0.572 56.883 56.400 -0.149 0.000 1.641 103 E CB -0.844 28.838 29.700 -0.029 0.000 1.314 103 E HN 0.524 nan 8.360 nan 0.000 0.462 104 F N -0.183 119.913 119.950 0.242 0.000 2.373 104 F HA -0.133 4.394 4.527 0.000 0.000 0.300 104 F C 1.873 177.982 175.800 0.514 0.000 1.080 104 F CA 0.765 58.973 58.000 0.347 0.000 1.417 104 F CB -1.145 37.977 39.000 0.204 0.000 1.070 104 F HN 0.058 nan 8.300 nan 0.000 0.546 105 S N -1.363 114.735 115.700 0.664 0.000 2.631 105 S HA 0.159 4.629 4.470 0.000 0.000 0.217 105 S C 0.425 175.202 174.600 0.295 0.000 0.958 105 S CA -0.478 58.091 58.200 0.616 0.000 0.920 105 S CB -0.546 62.814 63.200 0.266 0.000 0.776 105 S HN 0.400 nan 8.310 nan 0.000 0.517 106 K N 1.062 121.623 120.400 0.268 0.000 2.259 106 K HA 0.559 4.879 4.320 0.000 0.000 0.252 106 K C -1.240 175.343 176.600 -0.028 0.000 0.936 106 K CA -0.757 55.578 56.287 0.079 0.000 0.810 106 K CB 2.297 34.797 32.500 -0.001 0.000 1.143 106 K HN 0.005 nan 8.250 nan 0.000 0.427 107 V N 4.633 124.437 119.914 -0.183 0.000 2.461 107 V HA 0.153 4.273 4.120 0.000 0.000 0.275 107 V C -1.755 174.019 176.094 -0.534 0.000 1.047 107 V CA -1.438 60.496 62.300 -0.610 0.000 0.955 107 V CB 1.198 32.860 31.823 -0.269 0.000 0.988 107 V HN 0.698 nan 8.190 nan 0.000 0.471 108 P HA 0.110 nan 4.420 nan 0.000 0.237 108 P C -0.318 176.765 177.300 -0.361 0.000 1.723 108 P CA 0.038 62.897 63.100 -0.401 0.000 0.882 108 P CB -0.094 31.431 31.700 -0.293 0.000 1.810 109 D N -1.125 119.068 120.400 -0.343 0.000 2.788 109 D HA 0.094 4.734 4.640 0.000 0.000 0.289 109 D C 1.040 177.247 176.300 -0.155 0.000 1.340 109 D CA -0.870 52.970 54.000 -0.267 0.000 0.831 109 D CB -0.816 39.775 40.800 -0.349 0.000 1.103 109 D HN 0.090 nan 8.370 nan 0.000 0.476 110 G N 1.479 110.205 108.800 -0.123 0.000 2.270 110 G HA2 -0.281 3.679 3.960 0.000 0.000 0.270 110 G HA3 -0.281 3.679 3.960 0.000 0.000 0.270 110 G C 0.645 175.510 174.900 -0.058 0.000 0.795 110 G CA 0.931 45.986 45.100 -0.074 0.000 1.025 110 G HN 0.461 nan 8.290 nan 0.000 0.457 111 L N 0.073 121.258 121.223 -0.064 0.000 2.262 111 L HA 0.468 4.808 4.340 0.000 0.000 0.197 111 L C 1.487 178.335 176.870 -0.038 0.000 1.073 111 L CA 0.776 55.590 54.840 -0.044 0.000 0.800 111 L CB -0.279 41.757 42.059 -0.037 0.000 0.987 111 L HN 0.282 nan 8.230 nan 0.000 0.470 112 L N 0.888 122.080 121.223 -0.051 0.000 2.349 112 L HA 0.240 4.580 4.340 0.000 0.000 0.275 112 L C 1.547 178.396 176.870 -0.035 0.000 1.115 112 L CA -0.046 54.750 54.840 -0.074 0.000 0.820 112 L CB 0.649 42.636 42.059 -0.120 0.000 1.135 112 L HN 0.168 nan 8.230 nan 0.000 0.445 113 R N 1.976 122.472 120.500 -0.007 0.000 2.148 113 R HA -0.034 4.306 4.340 0.000 0.000 0.223 113 R C -0.669 175.725 176.300 0.157 0.000 1.088 113 R CA 0.858 57.002 56.100 0.074 0.000 0.985 113 R CB 0.295 30.664 30.300 0.116 0.000 0.880 113 R HN 0.661 nan 8.270 nan 0.000 0.451 114 Y N -1.998 118.325 120.300 0.037 0.000 2.521 114 Y HA 0.486 5.036 4.550 0.000 0.000 0.332 114 Y C -1.427 174.507 175.900 0.055 0.000 1.121 114 Y CA -1.487 56.645 58.100 0.053 0.000 1.037 114 Y CB 1.287 39.782 38.460 0.058 0.000 1.330 114 Y HN -0.065 nan 8.280 nan 0.000 0.452 115 S N 3.243 118.991 115.700 0.079 0.000 2.558 115 S HA 0.643 5.113 4.470 0.000 0.000 0.277 115 S C -2.286 172.350 174.600 0.059 0.000 1.143 115 S CA -0.542 57.628 58.200 -0.049 0.000 0.865 115 S CB 1.171 64.308 63.200 -0.104 0.000 1.102 115 S HN 1.441 nan 8.310 nan 0.000 0.454 116 V N 1.890 121.842 119.914 0.064 0.000 3.109 116 V HA 0.896 5.016 4.120 0.000 0.000 0.317 116 V C -1.385 174.545 176.094 -0.275 0.000 1.074 116 V CA 0.302 62.597 62.300 -0.007 0.000 1.033 116 V CB 1.450 33.373 31.823 0.167 0.000 1.111 116 V HN 1.276 nan 8.190 nan 0.000 0.458 117 D N 2.456 122.570 120.400 -0.477 0.000 2.755 117 D HA 0.680 5.320 4.640 0.000 0.000 0.277 117 D C -0.845 175.036 176.300 -0.699 0.000 1.261 117 D CA 0.238 53.753 54.000 -0.808 0.000 0.759 117 D CB 1.375 41.926 40.800 -0.416 0.000 1.279 117 D HN 1.305 nan 8.370 nan 0.000 0.420 118 A N -0.300 122.061 122.820 -0.765 0.000 2.462 118 A HA 0.607 4.927 4.320 0.000 0.000 0.299 118 A C -1.855 175.609 177.584 -0.200 0.000 1.047 118 A CA -0.392 51.434 52.037 -0.351 0.000 0.581 118 A CB 0.898 19.742 19.000 -0.260 0.000 1.466 118 A HN 0.832 nan 8.150 nan 0.000 0.616 119 E N 0.206 120.433 120.200 0.045 0.000 2.331 119 E HA 0.552 4.902 4.350 0.000 0.000 0.275 119 E C -1.547 175.115 176.600 0.103 0.000 0.895 119 E CA -0.439 56.043 56.400 0.138 0.000 0.753 119 E CB 1.685 31.582 29.700 0.329 0.000 1.216 119 E HN 0.562 nan 8.360 nan 0.000 0.434 120 Q N 3.325 123.173 119.800 0.080 0.000 2.333 120 Q HA 0.409 4.749 4.340 0.000 0.000 0.268 120 Q C -0.399 175.552 176.000 -0.081 0.000 1.007 120 Q CA -0.607 55.204 55.803 0.014 0.000 0.810 120 Q CB 2.096 30.850 28.738 0.028 0.000 1.264 120 Q HN 0.441 nan 8.270 nan 0.000 0.452 121 R N 1.460 121.854 120.500 -0.176 0.000 2.831 121 R HA 0.221 4.561 4.340 0.000 0.000 0.337 121 R C -2.186 173.944 176.300 -0.284 0.000 1.200 121 R CA -1.404 54.463 56.100 -0.388 0.000 1.088 121 R CB -0.488 29.446 30.300 -0.610 0.000 1.397 121 R HN 0.417 nan 8.270 nan 0.000 0.581 122 P HA -0.090 nan 4.420 nan 0.000 0.261 122 P C -0.351 176.848 177.300 -0.168 0.000 1.173 122 P CA 0.809 63.834 63.100 -0.126 0.000 0.760 122 P CB 0.814 32.476 31.700 -0.063 0.000 0.783 123 I N 3.492 123.975 120.570 -0.145 0.000 2.382 123 I HA 0.256 4.426 4.170 0.000 0.000 0.285 123 I C 0.208 176.239 176.117 -0.143 0.000 1.007 123 I CA -1.076 60.124 61.300 -0.166 0.000 1.142 123 I CB 1.827 39.744 38.000 -0.138 0.000 1.289 123 I HN 0.049 nan 8.210 nan 0.000 0.453 124 V N 3.559 123.361 119.914 -0.187 0.000 2.732 124 V HA 0.477 4.597 4.120 0.000 0.000 0.310 124 V C 0.217 176.196 176.094 -0.191 0.000 1.053 124 V CA -0.581 61.620 62.300 -0.165 0.000 0.957 124 V CB 1.790 33.492 31.823 -0.201 0.000 1.018 124 V HN 0.662 nan 8.190 nan 0.000 0.452 125 T N 4.567 119.027 114.554 -0.156 0.000 2.947 125 T HA 0.527 4.877 4.350 0.000 0.000 0.337 125 T C -0.279 174.345 174.700 -0.126 0.000 1.139 125 T CA -0.073 61.948 62.100 -0.131 0.000 0.992 125 T CB -0.034 68.774 68.868 -0.100 0.000 1.043 125 T HN 0.322 nan 8.240 nan 0.000 0.498 126 I N 4.128 124.649 120.570 -0.083 0.000 2.474 126 I HA 0.363 4.533 4.170 0.000 0.000 0.287 126 I C 0.546 176.771 176.117 0.180 0.000 1.048 126 I CA -0.282 61.024 61.300 0.010 0.000 1.383 126 I CB 0.556 38.716 38.000 0.268 0.000 1.412 126 I HN 0.657 nan 8.210 nan 0.000 0.531 127 E N 3.912 124.226 120.200 0.189 0.000 2.390 127 E HA 0.328 4.678 4.350 0.000 0.000 0.280 127 E C -1.167 175.396 176.600 -0.063 0.000 0.992 127 E CA -1.008 55.492 56.400 0.166 0.000 0.790 127 E CB 0.854 30.551 29.700 -0.005 0.000 1.248 127 E HN 0.521 nan 8.360 nan 0.000 0.447 128 C N 3.421 122.085 119.300 -1.061 0.000 2.431 128 C HA 0.006 4.466 4.460 0.000 0.000 0.397 128 C C -0.630 174.100 174.990 -0.433 0.000 1.436 128 C CA -0.283 57.959 59.018 -1.294 0.000 1.596 128 C CB 0.057 26.764 27.740 -1.721 0.000 2.550 128 C HN 0.727 nan 8.230 nan 0.000 0.596 129 P HA 0.017 nan 4.420 nan 0.000 0.217 129 P C 0.491 177.385 177.300 -0.677 0.000 1.154 129 P CA 1.101 63.775 63.100 -0.710 0.000 0.841 129 P CB -0.153 30.441 31.700 -1.844 0.000 0.790 130 T N 1.458 115.594 114.554 -0.697 0.000 2.817 130 T HA 0.225 4.575 4.350 0.000 0.000 0.293 130 T C 0.580 175.128 174.700 -0.254 0.000 0.964 130 T CA -0.254 61.603 62.100 -0.404 0.000 1.085 130 T CB 0.876 69.564 68.868 -0.300 0.000 0.921 130 T HN -0.258 nan 8.240 nan 0.000 0.502 131 V N 4.170 124.008 119.914 -0.127 0.000 2.346 131 V HA 0.066 4.187 4.120 0.000 0.000 0.320 131 V C 1.104 177.186 176.094 -0.020 0.000 1.663 131 V CA -0.671 61.589 62.300 -0.068 0.000 1.667 131 V CB -1.426 30.393 31.823 -0.006 0.000 1.465 131 V HN 1.045 nan 8.190 nan 0.000 0.524 132 S N 0.567 116.219 115.700 -0.081 0.000 3.159 132 S HA -0.043 4.427 4.470 0.000 0.000 0.375 132 S C 0.137 174.715 174.600 -0.037 0.000 1.068 132 S CA -0.138 58.024 58.200 -0.062 0.000 1.678 132 S CB -0.315 62.825 63.200 -0.100 0.000 1.160 132 S HN 0.696 nan 8.310 nan 0.000 0.605 133 E N 2.653 122.845 120.200 -0.013 0.000 2.351 133 E HA 0.302 4.652 4.350 0.000 0.000 0.266 133 E C -0.150 176.436 176.600 -0.024 0.000 1.031 133 E CA 0.232 56.623 56.400 -0.014 0.000 0.911 133 E CB 0.676 30.366 29.700 -0.017 0.000 0.986 133 E HN 0.613 nan 8.360 nan 0.000 0.446 134 S N 3.013 118.701 115.700 -0.020 0.000 2.532 134 S HA 0.266 4.736 4.470 0.000 0.000 0.301 134 S C 0.311 174.903 174.600 -0.014 0.000 1.083 134 S CA -0.532 57.657 58.200 -0.018 0.000 1.025 134 S CB 1.390 64.580 63.200 -0.016 0.000 1.056 134 S HN 0.655 nan 8.310 nan 0.000 0.494 135 D N 2.803 123.196 120.400 -0.012 0.000 2.277 135 D HA 0.184 4.824 4.640 0.000 0.000 0.209 135 D C 0.581 176.877 176.300 -0.006 0.000 0.970 135 D CA 0.334 54.328 54.000 -0.010 0.000 0.874 135 D CB 0.007 40.800 40.800 -0.011 0.000 0.982 135 D HN 0.494 nan 8.370 nan 0.000 0.504 136 L N 1.134 122.355 121.223 -0.004 0.000 2.479 136 L HA 0.151 4.492 4.340 0.000 0.000 0.270 136 L C -1.029 175.842 176.870 0.001 0.000 1.236 136 L CA -0.782 54.058 54.840 0.000 0.000 0.823 136 L CB 0.036 42.097 42.059 0.003 0.000 1.098 136 L HN 0.129 nan 8.230 nan 0.000 0.500 137 P HA 0.042 nan 4.420 nan 0.000 0.236 137 P C 0.077 177.381 177.300 0.006 0.000 1.177 137 P CA 0.857 63.959 63.100 0.004 0.000 0.773 137 P CB 0.495 32.198 31.700 0.005 0.000 0.878 138 L N 0.913 122.141 121.223 0.009 0.000 2.462 138 L HA 0.285 4.625 4.340 0.000 0.000 0.255 138 L C -0.227 176.651 176.870 0.014 0.000 1.076 138 L CA -0.587 54.261 54.840 0.014 0.000 0.920 138 L CB 1.400 43.471 42.059 0.020 0.000 1.214 138 L HN -0.258 nan 8.230 nan 0.000 0.472 139 D N 1.972 122.377 120.400 0.009 0.000 2.671 139 D HA 0.066 4.706 4.640 0.000 0.000 0.228 139 D C 1.520 177.829 176.300 0.016 0.000 1.102 139 D CA -0.105 53.897 54.000 0.005 0.000 1.044 139 D CB 0.677 41.472 40.800 -0.008 0.000 1.113 139 D HN 0.561 nan 8.370 nan 0.000 0.480 140 G N 2.709 111.524 108.800 0.025 0.000 3.254 140 G HA2 -0.209 3.751 3.960 0.000 0.000 0.203 140 G HA3 -0.209 3.751 3.960 0.000 0.000 0.203 140 G C 0.605 175.531 174.900 0.043 0.000 1.228 140 G CA -0.031 45.093 45.100 0.041 0.000 1.202 140 G HN 0.363 nan 8.290 nan 0.000 0.504 141 K N -0.542 119.877 120.400 0.031 0.000 2.258 141 K HA 0.491 4.811 4.320 0.000 0.000 0.264 141 K C -0.049 176.595 176.600 0.073 0.000 1.007 141 K CA 0.039 56.342 56.287 0.027 0.000 0.941 141 K CB 0.883 33.378 32.500 -0.008 0.000 0.966 141 K HN 0.115 nan 8.250 nan 0.000 0.480 142 L N 1.880 123.144 121.223 0.068 0.000 2.350 142 L HA 0.613 4.953 4.340 0.000 0.000 0.260 142 L C -0.956 175.994 176.870 0.132 0.000 1.015 142 L CA -1.077 53.831 54.840 0.114 0.000 0.821 142 L CB 1.485 43.537 42.059 -0.011 0.000 1.370 142 L HN 0.706 nan 8.230 nan 0.000 0.416 143 W N 0.744 121.918 121.300 -0.211 0.000 3.083 143 W HA 0.730 5.390 4.660 0.000 0.000 0.333 143 W C -1.447 174.872 176.519 -0.335 0.000 1.217 143 W CA -1.084 56.085 57.345 -0.293 0.000 1.170 143 W CB 1.519 30.838 29.460 -0.235 0.000 1.437 143 W HN 0.506 nan 8.180 nan 0.000 0.557 144 R N 1.257 121.515 120.500 -0.403 0.000 2.720 144 R HA 0.795 5.135 4.340 0.000 0.000 0.272 144 R C -1.647 174.428 176.300 -0.374 0.000 0.991 144 R CA -0.700 55.087 56.100 -0.523 0.000 1.010 144 R CB 2.174 32.165 30.300 -0.516 0.000 1.141 144 R HN 0.542 nan 8.270 nan 0.000 0.494 145 V N 1.272 121.032 119.914 -0.258 0.000 3.036 145 V HA 0.478 4.598 4.120 0.000 0.000 0.288 145 V C -1.837 174.211 176.094 -0.076 0.000 1.407 145 V CA -0.321 61.879 62.300 -0.166 0.000 0.983 145 V CB 2.637 34.287 31.823 -0.289 0.000 1.128 145 V HN 0.927 nan 8.190 nan 0.000 0.439 146 S N 4.872 120.405 115.700 -0.278 0.000 2.564 146 S HA 0.896 5.366 4.470 0.000 0.000 0.274 146 S C -1.584 172.720 174.600 -0.493 0.000 1.124 146 S CA -0.416 57.657 58.200 -0.212 0.000 0.869 146 S CB 1.811 64.797 63.200 -0.356 0.000 1.105 146 S HN 0.615 nan 8.310 nan 0.000 0.472 147 F N 1.103 121.180 119.950 0.213 0.000 2.540 147 F HA 0.664 5.191 4.527 0.000 0.000 0.317 147 F C -0.671 175.236 175.800 0.177 0.000 1.104 147 F CA -0.916 57.258 58.000 0.291 0.000 0.913 147 F CB 0.917 40.312 39.000 0.660 0.000 1.170 147 F HN 0.247 nan 8.300 nan 0.000 0.450 148 I N 1.667 122.386 120.570 0.247 0.000 2.378 148 I HA 0.383 4.553 4.170 0.000 0.000 0.291 148 I C -0.070 176.014 176.117 -0.055 0.000 0.992 148 I CA -0.360 60.909 61.300 -0.051 0.000 1.154 148 I CB 1.790 39.614 38.000 -0.294 0.000 1.315 148 I HN 0.521 nan 8.210 nan 0.000 0.448 149 S N 6.693 122.361 115.700 -0.052 0.000 2.437 149 S HA 0.683 5.153 4.470 0.000 0.000 0.305 149 S C -0.989 173.531 174.600 -0.132 0.000 1.109 149 S CA -0.361 57.910 58.200 0.117 0.000 1.099 149 S CB 0.173 63.652 63.200 0.464 0.000 1.004 149 S HN 0.334 nan 8.310 nan 0.000 0.475 150 F N 5.777 125.839 119.950 0.187 0.000 2.449 150 F HA 0.407 4.934 4.527 0.000 0.000 0.342 150 F C -1.827 173.837 175.800 -0.228 0.000 1.127 150 F CA -2.403 55.596 58.000 -0.003 0.000 0.975 150 F CB 2.426 41.514 39.000 0.147 0.000 1.146 150 F HN 0.447 nan 8.300 nan 0.000 0.444 151 P HA 0.070 nan 4.420 nan 0.000 0.244 151 P C -0.729 176.392 177.300 -0.298 0.000 1.723 151 P CA 0.400 63.379 63.100 -0.201 0.000 1.110 151 P CB 0.018 31.683 31.700 -0.058 0.000 1.972 152 A N 1.807 124.543 122.820 -0.140 0.000 2.340 152 A HA 0.414 4.734 4.320 0.000 0.000 0.331 152 A C 0.675 178.324 177.584 0.108 0.000 1.140 152 A CA -0.695 51.348 52.037 0.011 0.000 0.801 152 A CB 0.481 19.557 19.000 0.127 0.000 1.234 152 A HN 0.227 nan 8.150 nan 0.000 0.469 153 F N 1.318 121.284 119.950 0.026 0.000 2.043 153 F HA -0.188 4.339 4.527 0.000 0.000 0.297 153 F C 2.126 177.788 175.800 -0.229 0.000 1.121 153 F CA 2.377 60.208 58.000 -0.281 0.000 1.199 153 F CB 0.001 38.952 39.000 -0.082 0.000 0.968 153 F HN 0.682 nan 8.300 nan 0.000 0.478 154 R N -0.940 119.485 120.500 -0.125 0.000 2.206 154 R HA 0.143 4.483 4.340 0.000 0.000 0.198 154 R C -0.021 176.280 176.300 0.001 0.000 0.986 154 R CA -0.094 55.916 56.100 -0.151 0.000 1.029 154 R CB -0.217 30.143 30.300 0.100 0.000 0.966 154 R HN 0.170 nan 8.270 nan 0.000 0.487 155 L N 1.276 122.513 121.223 0.024 0.000 2.371 155 L HA 0.154 4.494 4.340 0.000 0.000 0.272 155 L C 0.717 177.675 176.870 0.147 0.000 1.124 155 L CA 0.265 55.152 54.840 0.079 0.000 0.816 155 L CB 0.959 43.045 42.059 0.045 0.000 1.129 155 L HN 0.012 nan 8.230 nan 0.000 0.448 156 N N 3.700 122.549 118.700 0.249 0.000 2.335 156 N HA 0.202 4.942 4.740 0.000 0.000 0.197 156 N C -0.353 175.463 175.510 0.510 0.000 1.045 156 N CA 0.608 53.855 53.050 0.329 0.000 0.928 156 N CB 0.279 39.008 38.487 0.402 0.000 1.118 156 N HN 0.605 nan 8.380 nan 0.000 0.471 157 F N -1.023 119.082 119.950 0.258 0.000 2.779 157 F HA 0.593 5.120 4.527 0.000 0.000 0.316 157 F C -1.537 174.499 175.800 0.394 0.000 1.164 157 F CA -1.353 56.819 58.000 0.287 0.000 0.924 157 F CB 1.208 40.401 39.000 0.322 0.000 1.348 157 F HN -0.246 nan 8.300 nan 0.000 0.467 158 I N 1.555 122.225 120.570 0.167 0.000 2.910 158 I HA 0.858 5.028 4.170 0.000 0.000 0.310 158 I C -0.603 175.555 176.117 0.068 0.000 1.043 158 I CA -1.213 60.129 61.300 0.071 0.000 1.053 158 I CB 2.091 40.166 38.000 0.124 0.000 1.242 158 I HN 0.912 nan 8.210 nan 0.000 0.452 159 A N 4.640 127.553 122.820 0.155 0.000 2.566 159 A HA 0.827 5.147 4.320 0.000 0.000 0.297 159 A C -1.499 176.296 177.584 0.353 0.000 1.059 159 A CA -0.488 51.584 52.037 0.059 0.000 0.691 159 A CB 1.709 20.708 19.000 -0.001 0.000 1.282 159 A HN 0.699 nan 8.150 nan 0.000 0.401 160 L N -0.580 120.751 121.223 0.180 0.000 2.493 160 L HA 1.019 5.359 4.340 0.000 0.000 0.265 160 L C -0.457 176.564 176.870 0.252 0.000 0.954 160 L CA -0.732 54.311 54.840 0.339 0.000 0.844 160 L CB 1.727 43.892 42.059 0.177 0.000 1.302 160 L HN 1.274 nan 8.230 nan 0.000 0.405 161 A N 2.596 125.517 122.820 0.169 0.000 2.435 161 A HA 0.692 5.012 4.320 0.000 0.000 0.296 161 A C -1.467 175.867 177.584 -0.418 0.000 1.147 161 A CA -0.806 51.239 52.037 0.014 0.000 0.775 161 A CB 1.959 21.149 19.000 0.317 0.000 1.340 161 A HN 0.922 nan 8.150 nan 0.000 0.427 162 N N 0.535 118.762 118.700 -0.788 0.000 2.448 162 N HA 0.352 5.092 4.740 0.000 0.000 0.279 162 N C 0.024 175.217 175.510 -0.528 0.000 1.025 162 N CA -0.727 51.581 53.050 -1.236 0.000 0.898 162 N CB 0.723 37.998 38.487 -2.020 0.000 1.303 162 N HN 0.379 nan 8.380 nan 0.000 0.495 163 I N 2.046 122.369 120.570 -0.411 0.000 2.194 163 I HA -0.262 3.908 4.170 0.000 0.000 0.246 163 I C 0.748 176.750 176.117 -0.192 0.000 1.093 163 I CA 1.116 62.248 61.300 -0.279 0.000 1.355 163 I CB -0.553 37.285 38.000 -0.271 0.000 1.046 163 I HN 0.581 nan 8.210 nan 0.000 0.413 164 N N 1.382 119.936 118.700 -0.243 0.000 2.524 164 N HA 0.013 4.753 4.740 0.000 0.000 0.283 164 N C 0.575 175.930 175.510 -0.259 0.000 1.142 164 N CA -0.189 52.749 53.050 -0.186 0.000 0.984 164 N CB 0.365 38.764 38.487 -0.148 0.000 1.155 164 N HN 0.046 nan 8.380 nan 0.000 0.467 165 N N 1.013 119.566 118.700 -0.245 0.000 2.567 165 N HA -0.085 4.655 4.740 0.000 0.000 0.195 165 N C -0.559 174.719 175.510 -0.386 0.000 1.242 165 N CA 0.190 52.977 53.050 -0.439 0.000 0.884 165 N CB -0.016 38.142 38.487 -0.547 0.000 1.007 165 N HN 0.515 nan 8.380 nan 0.000 0.450 166 E N -0.023 120.060 120.200 -0.194 0.000 2.415 166 E HA 0.164 4.514 4.350 0.000 0.000 0.262 166 E C 0.171 176.854 176.600 0.138 0.000 1.038 166 E CA -0.081 56.325 56.400 0.010 0.000 0.921 166 E CB 0.665 30.393 29.700 0.045 0.000 0.950 166 E HN 0.287 nan 8.360 nan 0.000 0.438 167 A N 2.489 125.512 122.820 0.338 0.000 2.251 167 A HA 0.293 4.613 4.320 0.000 0.000 0.278 167 A C -0.377 177.527 177.584 0.534 0.000 1.206 167 A CA -0.493 51.829 52.037 0.474 0.000 0.822 167 A CB 0.308 19.574 19.000 0.443 0.000 1.187 167 A HN 0.463 nan 8.150 nan 0.000 0.504 168 L N -0.238 121.229 121.223 0.406 0.000 2.312 168 L HA 0.467 4.807 4.340 0.000 0.000 0.281 168 L C 0.420 177.342 176.870 0.086 0.000 1.070 168 L CA 0.534 55.453 54.840 0.131 0.000 0.805 168 L CB 1.290 43.214 42.059 -0.224 0.000 1.174 168 L HN 0.753 nan 8.230 nan 0.000 0.434 169 T N 4.214 118.798 114.554 0.050 0.000 2.881 169 T HA 0.212 4.562 4.350 0.000 0.000 0.278 169 T C 0.935 175.658 174.700 0.038 0.000 0.982 169 T CA -0.397 61.742 62.100 0.066 0.000 0.989 169 T CB 1.231 70.147 68.868 0.080 0.000 1.058 169 T HN 0.630 nan 8.240 nan 0.000 0.529 170 L N 2.074 123.336 121.223 0.066 0.000 1.932 170 L HA -0.143 4.197 4.340 0.000 0.000 0.217 170 L C 2.436 179.351 176.870 0.076 0.000 1.077 170 L CA 2.218 57.108 54.840 0.083 0.000 0.765 170 L CB -1.218 40.892 42.059 0.085 0.000 0.888 170 L HN 0.837 nan 8.230 nan 0.000 0.433 171 E N -1.182 119.062 120.200 0.073 0.000 2.171 171 E HA -0.197 4.153 4.350 0.000 0.000 0.197 171 E C 1.752 178.386 176.600 0.055 0.000 0.997 171 E CA 1.965 58.410 56.400 0.075 0.000 0.810 171 E CB -1.495 28.245 29.700 0.066 0.000 0.738 171 E HN 0.580 nan 8.360 nan 0.000 0.467 172 T N 0.749 115.318 114.554 0.024 0.000 2.595 172 T HA -0.229 4.121 4.350 0.000 0.000 0.264 172 T C 1.715 176.368 174.700 -0.079 0.000 1.058 172 T CA 1.724 63.803 62.100 -0.035 0.000 1.166 172 T CB -0.338 68.472 68.868 -0.097 0.000 0.863 172 T HN 0.287 nan 8.240 nan 0.000 0.415 173 R N 1.346 121.768 120.500 -0.129 0.000 2.115 173 R HA -0.180 4.160 4.340 0.000 0.000 0.239 173 R C 2.193 178.460 176.300 -0.054 0.000 1.133 173 R CA 2.076 58.083 56.100 -0.154 0.000 0.935 173 R CB -0.711 29.538 30.300 -0.085 0.000 0.853 173 R HN 0.493 nan 8.270 nan 0.000 0.433 174 N N -0.602 118.113 118.700 0.023 0.000 2.011 174 N HA -0.195 4.545 4.740 0.000 0.000 0.199 174 N C 1.729 177.227 175.510 -0.019 0.000 1.047 174 N CA 2.431 55.524 53.050 0.073 0.000 0.863 174 N CB -0.442 38.190 38.487 0.242 0.000 1.056 174 N HN 0.329 nan 8.380 nan 0.000 0.427 175 T N 1.387 115.963 114.554 0.035 0.000 2.624 175 T HA -0.219 4.131 4.350 0.000 0.000 0.268 175 T C 1.556 176.148 174.700 -0.179 0.000 1.041 175 T CA 1.487 63.599 62.100 0.020 0.000 1.159 175 T CB -0.615 68.337 68.868 0.140 0.000 0.863 175 T HN 0.258 nan 8.240 nan 0.000 0.434 176 F N 2.017 121.687 119.950 -0.466 0.000 2.024 176 F HA -0.241 4.286 4.527 0.000 0.000 0.296 176 F C 1.931 177.220 175.800 -0.852 0.000 1.137 176 F CA 1.437 58.722 58.000 -1.192 0.000 1.200 176 F CB -1.015 37.331 39.000 -1.090 0.000 0.954 176 F HN 0.171 nan 8.300 nan 0.000 0.497 177 I N 0.603 120.646 120.570 -0.878 0.000 2.064 177 I HA -0.465 3.705 4.170 0.000 0.000 0.234 177 I C 2.662 178.352 176.117 -0.711 0.000 1.019 177 I CA 2.297 63.042 61.300 -0.924 0.000 1.301 177 I CB -1.385 36.082 38.000 -0.889 0.000 1.017 177 I HN 0.390 nan 8.210 nan 0.000 0.392 178 Q N 0.680 120.189 119.800 -0.484 0.000 2.344 178 Q HA -0.225 4.115 4.340 0.000 0.000 0.212 178 Q C 1.746 177.607 176.000 -0.231 0.000 0.991 178 Q CA 2.617 58.323 55.803 -0.162 0.000 0.897 178 Q CB -1.236 27.567 28.738 0.108 0.000 0.915 178 Q HN 0.484 nan 8.270 nan 0.000 0.438 179 T N 0.434 114.736 114.554 -0.421 0.000 2.732 179 T HA 0.024 4.374 4.350 0.000 0.000 0.261 179 T C 1.281 175.718 174.700 -0.438 0.000 1.040 179 T CA 1.135 62.981 62.100 -0.424 0.000 1.145 179 T CB -0.139 68.352 68.868 -0.628 0.000 0.866 179 T HN 0.188 nan 8.240 nan 0.000 0.427 180 L N 1.990 122.821 121.223 -0.654 0.000 2.353 180 L HA 0.020 4.360 4.340 0.000 0.000 0.220 180 L C 2.099 178.874 176.870 -0.158 0.000 1.133 180 L CA 1.139 55.707 54.840 -0.452 0.000 0.798 180 L CB -0.649 41.013 42.059 -0.661 0.000 0.922 180 L HN 0.264 nan 8.230 nan 0.000 0.445 181 N N -0.736 117.873 118.700 -0.152 0.000 2.402 181 N HA -0.017 4.723 4.740 0.000 0.000 0.174 181 N C 1.097 176.577 175.510 -0.051 0.000 1.027 181 N CA 0.539 53.561 53.050 -0.047 0.000 0.891 181 N CB -0.054 38.418 38.487 -0.024 0.000 1.016 181 N HN 0.377 nan 8.380 nan 0.000 0.439 182 N N 1.304 119.958 118.700 -0.077 0.000 2.463 182 N HA 0.107 4.847 4.740 0.000 0.000 0.181 182 N C 0.586 176.072 175.510 -0.040 0.000 1.078 182 N CA -0.014 53.003 53.050 -0.056 0.000 0.902 182 N CB 0.470 38.923 38.487 -0.056 0.000 0.970 182 N HN 0.255 nan 8.380 nan 0.000 0.451 183 I N 1.928 122.479 120.570 -0.031 0.000 2.906 183 I HA -0.183 3.987 4.170 0.000 0.000 0.301 183 I C 1.868 178.018 176.117 0.055 0.000 1.221 183 I CA 0.243 61.565 61.300 0.035 0.000 1.435 183 I CB 0.537 38.596 38.000 0.099 0.000 1.345 183 I HN 0.229 nan 8.210 nan 0.000 0.558 184 T N 2.620 117.197 114.554 0.039 0.000 3.356 184 T HA 0.014 4.364 4.350 0.000 0.000 0.220 184 T C 1.034 175.814 174.700 0.134 0.000 0.963 184 T CA 0.036 62.164 62.100 0.048 0.000 1.540 184 T CB -0.119 68.724 68.868 -0.041 0.000 1.320 184 T HN 0.461 nan 8.240 nan 0.000 0.448 185 N N 2.128 120.864 118.700 0.061 0.000 3.210 185 N HA 0.062 4.802 4.740 0.000 0.000 0.314 185 N C 1.222 176.725 175.510 -0.011 0.000 1.291 185 N CA -0.183 52.887 53.050 0.033 0.000 1.202 185 N CB -0.461 37.994 38.487 -0.054 0.000 1.475 185 N HN 0.692 nan 8.380 nan 0.000 0.554 186 W N 1.573 122.869 121.300 -0.007 0.000 2.276 186 W HA -0.329 4.331 4.660 0.000 0.000 0.307 186 W C 1.438 177.949 176.519 -0.014 0.000 1.240 186 W CA 0.733 58.065 57.345 -0.021 0.000 1.249 186 W CB -0.706 28.732 29.460 -0.038 0.000 1.140 186 W HN 0.295 nan 8.180 nan 0.000 0.519 187 R N 2.345 122.075 120.500 -1.283 0.000 2.117 187 R HA -0.222 4.118 4.340 0.000 0.000 0.243 187 R C 1.457 177.458 176.300 -0.497 0.000 1.143 187 R CA 2.299 57.686 56.100 -1.189 0.000 0.968 187 R CB -0.934 28.935 30.300 -0.719 0.000 0.863 187 R HN 0.313 nan 8.270 nan 0.000 0.444 188 D N 0.353 120.570 120.400 -0.305 0.000 2.885 188 D HA -0.064 4.576 4.640 0.000 0.000 0.234 188 D C 0.570 176.784 176.300 -0.144 0.000 1.129 188 D CA 0.124 54.019 54.000 -0.176 0.000 0.991 188 D CB 0.696 41.417 40.800 -0.132 0.000 1.137 188 D HN 0.219 nan 8.370 nan 0.000 0.459 189 L N -0.123 120.989 121.223 -0.185 0.000 4.117 189 L HA 0.170 4.510 4.340 0.000 0.000 0.403 189 L C 1.946 178.677 176.870 -0.232 0.000 1.051 189 L CA 0.642 55.392 54.840 -0.150 0.000 1.521 189 L CB -0.204 41.824 42.059 -0.052 0.000 1.894 189 L HN 0.278 nan 8.230 nan 0.000 0.632 190 G N 0.397 108.994 108.800 -0.338 0.000 2.501 190 G HA2 -0.280 3.680 3.960 0.000 0.000 0.220 190 G HA3 -0.280 3.680 3.960 0.000 0.000 0.220 190 G C 1.305 176.020 174.900 -0.308 0.000 1.114 190 G CA 1.557 46.360 45.100 -0.495 0.000 0.757 190 G HN 0.508 nan 8.290 nan 0.000 0.559 191 T N -1.790 112.655 114.554 -0.182 0.000 3.026 191 T HA 0.180 4.530 4.350 0.000 0.000 0.271 191 T C 2.105 176.741 174.700 -0.107 0.000 1.149 191 T CA 1.052 63.092 62.100 -0.100 0.000 1.088 191 T CB -0.417 68.405 68.868 -0.077 0.000 0.857 191 T HN 1.370 nan 8.240 nan 0.000 0.551 192 G N 1.468 110.147 108.800 -0.201 0.000 2.179 192 G HA2 -0.324 3.636 3.960 0.000 0.000 0.260 192 G HA3 -0.324 3.636 3.960 0.000 0.000 0.260 192 G C 0.018 174.784 174.900 -0.223 0.000 0.977 192 G CA 0.148 45.114 45.100 -0.224 0.000 0.641 192 G HN 1.065 nan 8.290 nan 0.000 0.533 193 Q N -0.788 118.909 119.800 -0.173 0.000 2.333 193 Q HA 0.241 4.581 4.340 0.000 0.000 0.299 193 Q C 0.285 176.267 176.000 -0.029 0.000 1.067 193 Q CA -0.224 55.521 55.803 -0.096 0.000 0.943 193 Q CB 0.660 29.363 28.738 -0.059 0.000 1.233 193 Q HN 0.531 nan 8.270 nan 0.000 0.401 194 W N 0.475 121.734 121.300 -0.068 0.000 2.184 194 W HA 0.439 5.099 4.660 0.000 0.000 0.338 194 W C -0.330 176.158 176.519 -0.052 0.000 1.257 194 W CA -0.595 56.725 57.345 -0.041 0.000 1.243 194 W CB 1.245 30.716 29.460 0.019 0.000 1.122 194 W HN 0.774 nan 8.180 nan 0.000 0.585 195 A N 3.079 126.036 122.820 0.229 0.000 2.429 195 A HA 0.248 4.568 4.320 0.000 0.000 0.289 195 A C -1.041 176.621 177.584 0.130 0.000 1.043 195 A CA -0.704 51.355 52.037 0.036 0.000 0.722 195 A CB 1.529 20.359 19.000 -0.283 0.000 1.243 195 A HN 0.623 nan 8.150 nan 0.000 0.415 196 Q N 1.469 121.193 119.800 -0.128 0.000 2.314 196 Q HA 0.522 4.862 4.340 0.000 0.000 0.258 196 Q C -0.156 175.830 176.000 -0.023 0.000 0.954 196 Q CA 0.030 55.518 55.803 -0.525 0.000 0.890 196 Q CB 0.325 28.551 28.738 -0.854 0.000 1.210 196 Q HN 1.010 nan 8.270 nan 0.000 0.410 197 F N 1.157 121.087 119.950 -0.034 0.000 2.835 197 F HA 0.635 5.162 4.527 0.000 0.000 0.341 197 F C -0.312 175.473 175.800 -0.025 0.000 0.940 197 F CA -0.002 57.992 58.000 -0.010 0.000 1.125 197 F CB 0.135 39.097 39.000 -0.063 0.000 0.974 197 F HN 0.461 nan 8.300 nan 0.000 0.601 198 A N 1.604 123.998 122.820 -0.712 0.000 2.389 198 A HA 0.757 5.077 4.320 0.000 0.000 0.293 198 A C -1.997 175.432 177.584 -0.259 0.000 1.186 198 A CA -1.554 50.258 52.037 -0.374 0.000 0.828 198 A CB 0.390 19.105 19.000 -0.474 0.000 1.369 198 A HN -0.053 nan 8.150 nan 0.000 0.446 199 P HA -0.076 nan 4.420 nan 0.000 0.205 199 P C 1.252 178.520 177.300 -0.054 0.000 1.203 199 P CA 2.111 65.184 63.100 -0.045 0.000 0.926 199 P CB -0.202 31.512 31.700 0.023 0.000 0.767 200 G N -1.871 106.921 108.800 -0.013 0.000 3.210 200 G HA2 0.083 4.043 3.960 0.000 0.000 0.220 200 G HA3 0.083 4.043 3.960 0.000 0.000 0.220 200 G C -0.450 174.281 174.900 -0.282 0.000 1.200 200 G CA -0.259 44.763 45.100 -0.130 0.000 0.834 200 G HN 0.209 nan 8.290 nan 0.000 0.524 201 W N -0.777 120.350 121.300 -0.288 0.000 2.632 201 W HA 0.726 5.386 4.660 0.000 0.000 0.328 201 W C -0.782 175.359 176.519 -0.629 0.000 1.044 201 W CA -0.936 56.131 57.345 -0.463 0.000 1.225 201 W CB 1.302 30.250 29.460 -0.853 0.000 1.396 201 W HN -0.090 nan 8.180 nan 0.000 0.499 202 Y N 0.978 121.095 120.300 -0.306 0.000 2.698 202 Y HA 0.646 5.196 4.550 0.000 0.000 0.332 202 Y C -0.482 175.484 175.900 0.109 0.000 1.119 202 Y CA -2.107 55.840 58.100 -0.254 0.000 1.109 202 Y CB 1.771 39.772 38.460 -0.765 0.000 1.308 202 Y HN 0.403 nan 8.280 nan 0.000 0.499 203 Y N -1.807 118.640 120.300 0.245 0.000 2.573 203 Y HA 0.669 5.219 4.550 0.000 0.000 0.328 203 Y C -1.284 175.077 175.900 0.768 0.000 1.170 203 Y CA -0.881 57.550 58.100 0.552 0.000 1.078 203 Y CB 1.456 40.280 38.460 0.606 0.000 1.341 203 Y HN 0.552 nan 8.280 nan 0.000 0.459 204 S N 2.863 118.865 115.700 0.502 0.000 2.618 204 S HA 0.850 5.320 4.470 0.000 0.000 0.277 204 S C -1.422 172.935 174.600 -0.404 0.000 1.138 204 S CA -0.681 57.431 58.200 -0.146 0.000 0.844 204 S CB 1.318 64.358 63.200 -0.267 0.000 1.127 204 S HN 1.154 nan 8.310 nan 0.000 0.474 205 I N 0.383 120.514 120.570 -0.733 0.000 2.608 205 I HA 0.686 4.856 4.170 0.000 0.000 0.295 205 I C -1.964 173.505 176.117 -1.080 0.000 1.049 205 I CA -0.992 59.903 61.300 -0.676 0.000 1.063 205 I CB 1.705 39.626 38.000 -0.132 0.000 1.248 205 I HN 0.566 nan 8.210 nan 0.000 0.424 206 Y N 4.893 125.152 120.300 -0.070 0.000 2.350 206 Y HA 0.602 5.152 4.550 0.000 0.000 0.338 206 Y C 0.456 176.398 175.900 0.070 0.000 0.961 206 Y CA -1.050 57.056 58.100 0.011 0.000 1.100 206 Y CB 1.560 40.135 38.460 0.191 0.000 1.179 206 Y HN 0.553 nan 8.280 nan 0.000 0.454 207 V N 0.692 120.601 119.914 -0.008 0.000 3.556 207 V HA 0.493 4.613 4.120 0.000 0.000 0.292 207 V C -0.205 175.916 176.094 0.045 0.000 1.030 207 V CA -1.240 61.024 62.300 -0.060 0.000 1.009 207 V CB 0.942 32.447 31.823 -0.531 0.000 1.242 207 V HN 0.629 nan 8.190 nan 0.000 0.431 208 L N 0.764 122.002 121.223 0.025 0.000 2.295 208 L HA 0.407 4.747 4.340 0.000 0.000 0.281 208 L C -1.659 175.229 176.870 0.029 0.000 1.018 208 L CA -1.463 53.380 54.840 0.004 0.000 0.841 208 L CB 1.167 43.186 42.059 -0.068 0.000 1.218 208 L HN 0.429 nan 8.230 nan 0.000 0.424 209 P HA -0.316 nan 4.420 nan 0.000 0.235 209 P C 0.579 177.908 177.300 0.049 0.000 1.116 209 P CA 1.834 64.976 63.100 0.069 0.000 0.991 209 P CB 0.156 31.866 31.700 0.017 0.000 0.764 210 N N -2.707 115.981 118.700 -0.021 0.000 2.322 210 N HA -0.049 4.691 4.740 0.000 0.000 0.186 210 N C 1.753 177.168 175.510 -0.158 0.000 1.037 210 N CA 1.939 54.947 53.050 -0.070 0.000 0.869 210 N CB -1.683 36.772 38.487 -0.053 0.000 1.036 210 N HN 0.246 nan 8.380 nan 0.000 0.439 211 T N -0.891 113.479 114.554 -0.306 0.000 2.778 211 T HA -0.237 4.113 4.350 0.000 0.000 0.269 211 T C 1.894 176.400 174.700 -0.324 0.000 1.050 211 T CA 1.188 62.918 62.100 -0.617 0.000 1.137 211 T CB -0.766 67.366 68.868 -1.226 0.000 0.860 211 T HN 0.292 nan 8.240 nan 0.000 0.468 212 Y N 2.591 122.735 120.300 -0.259 0.000 2.373 212 Y HA 0.405 4.955 4.550 0.000 0.000 0.293 212 Y C 2.400 178.232 175.900 -0.113 0.000 1.129 212 Y CA -0.044 57.981 58.100 -0.125 0.000 1.226 212 Y CB -0.782 37.632 38.460 -0.076 0.000 1.000 212 Y HN 0.293 nan 8.280 nan 0.000 0.549 213 A N 0.354 123.029 122.820 -0.242 0.000 2.258 213 A HA 0.152 4.472 4.320 0.000 0.000 0.206 213 A C 0.494 177.950 177.584 -0.213 0.000 1.222 213 A CA 0.203 52.063 52.037 -0.294 0.000 0.822 213 A CB -1.120 17.790 19.000 -0.151 0.000 0.804 213 A HN 0.432 nan 8.150 nan 0.000 0.483 214 M N 0.873 120.364 119.600 -0.181 0.000 2.023 214 M HA 0.462 4.942 4.480 0.000 0.000 0.325 214 M C 0.311 176.579 176.300 -0.053 0.000 0.963 214 M CA -0.200 55.050 55.300 -0.082 0.000 0.928 214 M CB 1.582 34.164 32.600 -0.029 0.000 1.429 214 M HN 0.268 nan 8.290 nan 0.000 0.404 215 A N 1.673 124.448 122.820 -0.075 0.000 2.455 215 A HA 0.132 4.452 4.320 0.000 0.000 0.244 215 A C 0.610 178.217 177.584 0.038 0.000 1.099 215 A CA 0.250 52.256 52.037 -0.053 0.000 0.786 215 A CB 0.265 19.221 19.000 -0.073 0.000 1.051 215 A HN 0.768 nan 8.150 nan 0.000 0.508 216 E N -0.117 120.120 120.200 0.062 0.000 2.989 216 E HA 0.202 4.552 4.350 0.000 0.000 0.207 216 E C -0.257 176.385 176.600 0.070 0.000 0.989 216 E CA -0.333 56.141 56.400 0.123 0.000 1.186 216 E CB -0.065 29.795 29.700 0.266 0.000 1.141 216 E HN 0.574 nan 8.360 nan 0.000 0.454 217 I N -2.815 117.767 120.570 0.020 0.000 2.607 217 I HA 0.630 4.800 4.170 0.000 0.000 0.305 217 I C 1.126 177.242 176.117 -0.002 0.000 0.995 217 I CA -0.586 60.712 61.300 -0.004 0.000 1.148 217 I CB 1.163 39.144 38.000 -0.032 0.000 1.323 217 I HN 0.057 nan 8.210 nan 0.000 0.461 218 G N 2.634 111.431 108.800 -0.006 0.000 2.509 218 G HA2 -0.199 3.761 3.960 0.000 0.000 0.218 218 G HA3 -0.199 3.761 3.960 0.000 0.000 0.218 218 G C 1.013 175.910 174.900 -0.006 0.000 1.124 218 G CA 0.494 45.592 45.100 -0.004 0.000 0.776 218 G HN 0.831 nan 8.290 nan 0.000 0.547 219 D N 0.511 120.904 120.400 -0.011 0.000 2.083 219 D HA -0.007 4.633 4.640 0.000 0.000 0.199 219 D C 2.561 178.857 176.300 -0.008 0.000 0.980 219 D CA 0.809 54.802 54.000 -0.011 0.000 0.851 219 D CB 0.074 40.863 40.800 -0.018 0.000 0.997 219 D HN 0.208 nan 8.370 nan 0.000 0.449 220 R N -1.304 119.190 120.500 -0.011 0.000 2.102 220 R HA 0.177 4.517 4.340 0.000 0.000 0.208 220 R C 0.298 176.597 176.300 -0.000 0.000 1.131 220 R CA 0.476 56.571 56.100 -0.007 0.000 1.054 220 R CB 0.386 30.677 30.300 -0.015 0.000 0.954 220 R HN 0.076 nan 8.270 nan 0.000 0.465 221 T N 0.726 115.278 114.554 -0.004 0.000 2.807 221 T HA 0.283 4.633 4.350 0.000 0.000 0.279 221 T C -1.217 173.495 174.700 0.020 0.000 0.993 221 T CA -0.668 61.437 62.100 0.009 0.000 0.970 221 T CB 2.168 71.033 68.868 -0.004 0.000 0.950 221 T HN -0.018 nan 8.240 nan 0.000 0.441 222 D N 1.366 121.786 120.400 0.033 0.000 2.857 222 D HA 0.389 5.029 4.640 0.000 0.000 0.227 222 D C 0.389 176.723 176.300 0.056 0.000 1.192 222 D CA -0.379 53.639 54.000 0.030 0.000 0.857 222 D CB 2.137 42.939 40.800 0.002 0.000 1.645 222 D HN 0.510 nan 8.370 nan 0.000 0.482 223 S N 0.519 116.259 115.700 0.067 0.000 2.775 223 S HA 0.227 4.697 4.470 0.000 0.000 0.250 223 S C 0.931 175.554 174.600 0.039 0.000 1.391 223 S CA -0.401 57.855 58.200 0.093 0.000 0.972 223 S CB -0.114 63.117 63.200 0.053 0.000 0.963 223 S HN 0.462 nan 8.310 nan 0.000 0.570 224 V N -2.083 117.833 119.914 0.003 0.000 2.966 224 V HA 0.535 4.655 4.120 0.000 0.000 0.317 224 V C 1.610 177.696 176.094 -0.013 0.000 1.070 224 V CA -0.310 62.015 62.300 0.042 0.000 1.008 224 V CB 0.512 32.403 31.823 0.113 0.000 1.070 224 V HN 1.090 nan 8.190 nan 0.000 0.457 225 T N -1.305 113.263 114.554 0.024 0.000 2.869 225 T HA -0.068 4.282 4.350 0.000 0.000 0.270 225 T C 0.577 175.244 174.700 -0.055 0.000 1.082 225 T CA 1.716 63.809 62.100 -0.011 0.000 1.123 225 T CB -0.580 68.302 68.868 0.023 0.000 0.856 225 T HN 1.441 nan 8.240 nan 0.000 0.499 226 Q N -0.837 118.938 119.800 -0.042 0.000 3.116 226 Q HA 0.449 4.789 4.340 0.000 0.000 0.332 226 Q C -1.506 174.516 176.000 0.036 0.000 0.847 226 Q CA -1.277 54.455 55.803 -0.118 0.000 0.888 226 Q CB 0.189 28.849 28.738 -0.130 0.000 1.484 226 Q HN 0.498 nan 8.270 nan 0.000 0.499 227 F N -1.774 118.144 119.950 -0.053 0.000 3.332 227 F HA 0.795 5.322 4.527 0.000 0.000 0.327 227 F C -2.224 173.597 175.800 0.036 0.000 1.128 227 F CA -0.713 57.308 58.000 0.036 0.000 0.854 227 F CB 0.727 39.783 39.000 0.092 0.000 1.500 227 F HN 0.950 nan 8.300 nan 0.000 0.485 228 R N 0.962 121.851 120.500 0.647 0.000 2.626 228 R HA 0.637 4.977 4.340 0.000 0.000 0.274 228 R C -1.890 174.599 176.300 0.314 0.000 1.031 228 R CA -1.184 55.127 56.100 0.351 0.000 0.898 228 R CB 1.969 32.365 30.300 0.160 0.000 1.222 228 R HN 0.525 nan 8.270 nan 0.000 0.455 229 K N 2.041 122.429 120.400 -0.020 0.000 2.228 229 K HA 0.131 4.451 4.320 0.000 0.000 0.284 229 K C 0.548 176.715 176.600 -0.721 0.000 1.088 229 K CA -0.179 55.839 56.287 -0.447 0.000 0.941 229 K CB 0.849 32.869 32.500 -0.800 0.000 1.158 229 K HN 0.605 nan 8.250 nan 0.000 0.438 230 V N 4.833 124.591 119.914 -0.259 0.000 2.720 230 V HA -0.101 4.019 4.120 0.000 0.000 0.256 230 V C -0.117 176.238 176.094 0.436 0.000 1.082 230 V CA 1.128 63.496 62.300 0.114 0.000 1.101 230 V CB -1.512 30.464 31.823 0.255 0.000 0.693 230 V HN 0.817 nan 8.190 nan 0.000 0.479 231 Y N -2.741 117.702 120.300 0.238 0.000 2.705 231 Y HA 0.548 5.098 4.550 0.000 0.000 0.367 231 Y C -1.177 175.015 175.900 0.486 0.000 1.211 231 Y CA -2.073 56.442 58.100 0.692 0.000 1.375 231 Y CB 0.355 39.161 38.460 0.576 0.000 1.404 231 Y HN -0.069 nan 8.280 nan 0.000 0.514 232 K N 2.315 123.193 120.400 0.796 0.000 2.565 232 K HA 0.788 5.108 4.320 0.000 0.000 0.251 232 K C -1.167 175.740 176.600 0.511 0.000 0.956 232 K CA -0.370 56.261 56.287 0.575 0.000 0.809 232 K CB 2.102 34.921 32.500 0.531 0.000 1.267 232 K HN 1.404 nan 8.250 nan 0.000 0.438 233 G N 3.349 112.347 108.800 0.330 0.000 2.619 233 G HA2 0.782 4.742 3.960 0.000 0.000 0.296 233 G HA3 0.782 4.742 3.960 0.000 0.000 0.296 233 G C -1.351 173.597 174.900 0.081 0.000 1.334 233 G CA -0.763 44.374 45.100 0.061 0.000 0.934 233 G HN 0.499 nan 8.290 nan 0.000 0.476 234 I N 0.008 120.557 120.570 -0.035 0.000 2.752 234 I HA 0.374 4.544 4.170 0.000 0.000 0.295 234 I C -0.639 175.547 176.117 0.116 0.000 1.219 234 I CA -0.697 60.599 61.300 -0.007 0.000 1.030 234 I CB 2.893 40.830 38.000 -0.105 0.000 1.259 234 I HN 0.320 nan 8.210 nan 0.000 0.423 235 T N 4.674 119.270 114.554 0.070 0.000 2.797 235 T HA 0.525 4.875 4.350 0.000 0.000 0.279 235 T C -0.662 173.988 174.700 -0.084 0.000 0.991 235 T CA -0.208 62.011 62.100 0.197 0.000 0.979 235 T CB 0.776 69.740 68.868 0.159 0.000 0.943 235 T HN 0.189 nan 8.240 nan 0.000 0.444 236 F N 2.280 122.157 119.950 -0.123 0.000 2.366 236 F HA 0.280 4.807 4.527 0.000 0.000 0.328 236 F C 1.041 176.792 175.800 -0.081 0.000 1.180 236 F CA -1.051 56.844 58.000 -0.175 0.000 1.232 236 F CB 0.304 39.232 39.000 -0.121 0.000 1.513 236 F HN 0.424 nan 8.300 nan 0.000 0.540 237 E N 1.486 121.697 120.200 0.018 0.000 2.652 237 E HA -0.163 4.188 4.350 0.000 0.000 0.255 237 E C -0.329 176.338 176.600 0.112 0.000 0.952 237 E CA 0.279 56.715 56.400 0.059 0.000 0.947 237 E CB 0.457 30.150 29.700 -0.012 0.000 0.912 237 E HN 0.301 nan 8.360 nan 0.000 0.489 238 F N 5.963 125.937 119.950 0.040 0.000 2.566 238 F HA 0.062 4.589 4.527 0.000 0.000 0.349 238 F C 0.406 176.229 175.800 0.039 0.000 1.245 238 F CA -0.924 57.110 58.000 0.056 0.000 1.169 238 F CB -0.296 38.813 39.000 0.182 0.000 1.470 238 F HN 0.162 nan 8.300 nan 0.000 0.634 239 N N 4.844 123.404 118.700 -0.233 0.000 2.448 239 N HA 0.391 5.131 4.740 0.000 0.000 0.250 239 N C -1.181 174.058 175.510 -0.452 0.000 1.136 239 N CA 0.247 53.138 53.050 -0.266 0.000 0.953 239 N CB 0.440 38.842 38.487 -0.141 0.000 1.251 239 N HN 0.603 nan 8.380 nan 0.000 0.502 240 A N 4.366 126.813 122.820 -0.622 0.000 2.498 240 A HA 0.636 4.956 4.320 0.000 0.000 0.298 240 A C -2.691 174.732 177.584 -0.268 0.000 1.075 240 A CA -1.267 50.432 52.037 -0.562 0.000 0.714 240 A CB 1.364 19.703 19.000 -1.102 0.000 1.299 240 A HN 0.531 nan 8.150 nan 0.000 0.407 241 P HA 0.121 nan 4.420 nan 0.000 0.271 241 P C 0.079 177.363 177.300 -0.026 0.000 1.226 241 P CA 0.316 63.380 63.100 -0.060 0.000 0.765 241 P CB 0.340 32.025 31.700 -0.026 0.000 0.835 242 T N 3.918 118.465 114.554 -0.011 0.000 4.210 242 T HA 0.046 4.396 4.350 0.000 0.000 0.247 242 T C 1.101 175.827 174.700 0.044 0.000 0.883 242 T CA 0.358 62.476 62.100 0.029 0.000 0.927 242 T CB -0.715 68.170 68.868 0.028 0.000 1.271 242 T HN 0.435 nan 8.240 nan 0.000 0.692 243 L N 0.245 121.497 121.223 0.048 0.000 2.664 243 L HA 0.481 4.821 4.340 0.000 0.000 0.198 243 L C 0.314 177.231 176.870 0.078 0.000 1.057 243 L CA 0.093 54.965 54.840 0.053 0.000 0.871 243 L CB 0.659 42.740 42.059 0.037 0.000 1.364 243 L HN 0.338 nan 8.230 nan 0.000 0.483 244 I N -1.505 119.118 120.570 0.088 0.000 2.621 244 I HA 0.280 4.450 4.170 0.000 0.000 0.276 244 I C -0.605 175.626 176.117 0.191 0.000 1.118 244 I CA -0.594 60.782 61.300 0.127 0.000 1.159 244 I CB 0.620 38.686 38.000 0.109 0.000 1.357 244 I HN 0.106 nan 8.210 nan 0.000 0.513 245 D N 3.224 123.777 120.400 0.255 0.000 2.358 245 D HA 0.035 4.675 4.640 0.000 0.000 0.224 245 D C 0.223 176.838 176.300 0.525 0.000 1.123 245 D CA -0.312 53.980 54.000 0.486 0.000 0.833 245 D CB 0.108 41.171 40.800 0.438 0.000 0.946 245 D HN 0.633 nan 8.370 nan 0.000 0.505 246 Q N 1.329 121.337 119.800 0.347 0.000 2.726 246 Q HA 0.368 4.708 4.340 0.000 0.000 0.242 246 Q C 1.028 177.186 176.000 0.264 0.000 1.130 246 Q CA 0.180 56.142 55.803 0.266 0.000 1.031 246 Q CB 0.058 28.932 28.738 0.226 0.000 1.326 246 Q HN 0.262 nan 8.270 nan 0.000 0.572 247 G N -1.185 107.766 108.800 0.253 0.000 2.587 247 G HA2 0.172 4.132 3.960 0.000 0.000 0.686 247 G HA3 0.172 4.132 3.960 0.000 0.000 0.686 247 G C -1.526 173.522 174.900 0.246 0.000 1.236 247 G CA -0.630 44.612 45.100 0.236 0.000 0.820 247 G HN 1.118 nan 8.290 nan 0.000 0.645 248 W N -0.498 120.857 121.300 0.090 0.000 3.075 248 W HA 0.835 5.495 4.660 0.000 0.000 0.334 248 W C -0.991 175.561 176.519 0.054 0.000 1.243 248 W CA -1.761 55.563 57.345 -0.034 0.000 1.170 248 W CB 0.778 30.176 29.460 -0.103 0.000 1.452 248 W HN 1.350 nan 8.180 nan 0.000 0.572 249 W N 0.599 121.810 121.300 -0.149 0.000 3.167 249 W HA 0.662 5.322 4.660 0.000 0.000 0.324 249 W C -2.291 174.073 176.519 -0.259 0.000 1.230 249 W CA -1.466 55.547 57.345 -0.555 0.000 1.184 249 W CB 0.652 29.389 29.460 -1.207 0.000 1.414 249 W HN 0.241 nan 8.180 nan 0.000 0.551 250 V N 2.035 121.960 119.914 0.018 0.000 2.540 250 V HA 0.818 4.938 4.120 0.000 0.000 0.302 250 V C 0.280 176.469 176.094 0.158 0.000 1.035 250 V CA -0.421 61.913 62.300 0.058 0.000 0.873 250 V CB 1.240 33.064 31.823 0.002 0.000 0.992 250 V HN 0.798 nan 8.190 nan 0.000 0.428 251 G N 2.304 111.265 108.800 0.268 0.000 2.481 251 G HA2 0.900 4.860 3.960 0.000 0.000 0.315 251 G HA3 0.900 4.860 3.960 0.000 0.000 0.315 251 G C -0.975 173.936 174.900 0.018 0.000 1.231 251 G CA -0.360 44.796 45.100 0.093 0.000 0.968 251 G HN 1.338 nan 8.290 nan 0.000 0.482 252 A N 1.272 124.029 122.820 -0.105 0.000 2.573 252 A HA 0.596 4.916 4.320 0.000 0.000 0.299 252 A C -1.243 176.280 177.584 -0.101 0.000 1.060 252 A CA -0.768 51.233 52.037 -0.061 0.000 0.736 252 A CB 0.874 19.891 19.000 0.028 0.000 1.280 252 A HN 0.744 nan 8.150 nan 0.000 0.401 253 H N 1.121 120.224 119.070 0.056 0.000 2.548 253 H HA 0.633 5.189 4.556 0.000 0.000 0.331 253 H C -0.636 174.750 175.328 0.096 0.000 1.093 253 H CA 0.328 56.429 56.048 0.088 0.000 1.367 253 H CB 1.222 31.040 29.762 0.093 0.000 1.455 253 H HN 0.532 nan 8.280 nan 0.000 0.519 254 I N 5.294 126.016 120.570 0.253 0.000 2.534 254 I HA 0.213 4.383 4.170 0.000 0.000 0.288 254 I C -2.477 173.758 176.117 0.197 0.000 1.077 254 I CA -1.979 59.435 61.300 0.190 0.000 1.051 254 I CB 3.104 41.212 38.000 0.179 0.000 1.234 254 I HN 0.312 nan 8.210 nan 0.000 0.425 255 P HA 0.387 nan 4.420 nan 0.000 0.286 255 P C -1.096 176.289 177.300 0.140 0.000 1.261 255 P CA -0.415 62.758 63.100 0.122 0.000 0.821 255 P CB 2.395 34.122 31.700 0.045 0.000 1.013 256 V N 3.177 123.186 119.914 0.158 0.000 2.777 256 V HA 0.341 4.461 4.120 0.000 0.000 0.306 256 V C -0.134 175.879 176.094 -0.135 0.000 1.112 256 V CA -0.640 61.687 62.300 0.046 0.000 0.917 256 V CB 2.402 34.286 31.823 0.101 0.000 1.018 256 V HN 0.472 nan 8.190 nan 0.000 0.426 257 K N 5.275 125.551 120.400 -0.205 0.000 2.221 257 K HA 0.581 4.901 4.320 0.000 0.000 0.258 257 K C -2.655 173.687 176.600 -0.431 0.000 0.944 257 K CA -1.599 54.506 56.287 -0.304 0.000 0.823 257 K CB 2.700 35.115 32.500 -0.142 0.000 1.113 257 K HN 0.433 nan 8.250 nan 0.000 0.431 258 P HA 0.109 nan 4.420 nan 0.000 0.276 258 P C -0.957 176.148 177.300 -0.325 0.000 1.244 258 P CA -0.479 62.270 63.100 -0.586 0.000 0.801 258 P CB 0.994 32.238 31.700 -0.761 0.000 1.006 259 Q N 0.585 120.226 119.800 -0.265 0.000 2.320 259 Q HA 0.231 4.571 4.340 0.000 0.000 0.268 259 Q C -0.640 175.271 176.000 -0.148 0.000 1.023 259 Q CA -0.360 55.345 55.803 -0.164 0.000 0.744 259 Q CB 1.330 29.997 28.738 -0.118 0.000 1.246 259 Q HN 0.313 nan 8.270 nan 0.000 0.462 260 S N 3.280 118.913 115.700 -0.112 0.000 4.027 260 S HA 0.024 4.494 4.470 0.000 0.000 0.188 260 S C 0.070 174.634 174.600 -0.059 0.000 1.230 260 S CA 0.104 58.258 58.200 -0.077 0.000 0.920 260 S CB -0.349 62.827 63.200 -0.040 0.000 1.577 260 S HN 0.362 nan 8.310 nan 0.000 0.445 261 E N 2.414 122.572 120.200 -0.070 0.000 1.842 261 E HA 0.004 4.354 4.350 0.000 0.000 0.278 261 E C 0.559 177.137 176.600 -0.036 0.000 1.171 261 E CA -0.136 56.232 56.400 -0.053 0.000 1.127 261 E CB 0.094 29.758 29.700 -0.059 0.000 1.100 261 E HN 0.312 nan 8.360 nan 0.000 0.456 262 T N 2.339 116.880 114.554 -0.021 0.000 2.932 262 T HA 0.050 4.400 4.350 0.000 0.000 0.312 262 T C 0.433 175.133 174.700 -0.001 0.000 1.071 262 T CA -0.459 61.639 62.100 -0.003 0.000 1.128 262 T CB 0.320 69.193 68.868 0.007 0.000 0.984 262 T HN 0.203 nan 8.240 nan 0.000 0.549 263 I N 6.088 126.663 120.570 0.009 0.000 2.396 263 I HA 0.331 4.501 4.170 0.000 0.000 0.292 263 I C -1.886 174.241 176.117 0.017 0.000 0.999 263 I CA -2.667 58.637 61.300 0.007 0.000 1.310 263 I CB 1.073 39.078 38.000 0.008 0.000 1.404 263 I HN 0.556 nan 8.210 nan 0.000 0.496 264 P HA 0.136 nan 4.420 nan 0.000 0.272 264 P C -0.788 176.529 177.300 0.029 0.000 1.223 264 P CA -0.358 62.753 63.100 0.019 0.000 0.784 264 P CB 0.647 32.356 31.700 0.015 0.000 0.923 265 A N 2.068 124.907 122.820 0.031 0.000 2.279 265 A HA 0.607 4.927 4.320 0.000 0.000 0.306 265 A C 0.250 177.857 177.584 0.039 0.000 1.300 265 A CA -0.323 51.738 52.037 0.040 0.000 0.925 265 A CB -0.351 18.671 19.000 0.036 0.000 1.152 265 A HN 0.563 nan 8.150 nan 0.000 0.544 266 A N 2.175 125.025 122.820 0.049 0.000 2.264 266 A HA 0.687 5.007 4.320 0.000 0.000 0.304 266 A C 0.609 178.226 177.584 0.054 0.000 1.100 266 A CA -0.079 51.990 52.037 0.054 0.000 0.839 266 A CB 0.762 19.805 19.000 0.072 0.000 1.121 266 A HN 0.858 nan 8.150 nan 0.000 0.496 267 E N -0.395 119.832 120.200 0.045 0.000 2.831 267 E HA 0.186 4.536 4.350 0.000 0.000 0.254 267 E C 1.937 178.560 176.600 0.039 0.000 1.015 267 E CA 0.260 56.678 56.400 0.031 0.000 1.016 267 E CB -0.163 29.537 29.700 0.000 0.000 2.665 267 E HN 0.584 nan 8.360 nan 0.000 0.583 268 R N -0.728 119.757 120.500 -0.025 0.000 2.088 268 R HA -0.003 4.337 4.340 0.000 0.000 0.232 268 R C 0.167 176.565 176.300 0.164 0.000 1.136 268 R CA 1.207 57.260 56.100 -0.079 0.000 0.926 268 R CB -0.201 29.870 30.300 -0.382 0.000 0.837 268 R HN 0.160 nan 8.270 nan 0.000 0.429 269 F N -0.781 119.185 119.950 0.026 0.000 2.575 269 F HA 0.386 4.913 4.527 0.000 0.000 0.330 269 F C -0.100 175.715 175.800 0.025 0.000 1.056 269 F CA -1.444 56.573 58.000 0.028 0.000 0.964 269 F CB 2.300 41.316 39.000 0.027 0.000 1.258 269 F HN -0.011 nan 8.300 nan 0.000 0.484 270 S N 0.275 116.110 115.700 0.225 0.000 2.546 270 S HA 0.638 5.108 4.470 0.000 0.000 0.274 270 S C -0.864 173.774 174.600 0.063 0.000 1.121 270 S CA -0.805 57.465 58.200 0.117 0.000 0.887 270 S CB 1.910 65.162 63.200 0.086 0.000 1.094 270 S HN 0.738 nan 8.310 nan 0.000 0.474 271 A N 1.278 124.121 122.820 0.040 0.000 2.371 271 A HA 0.836 5.156 4.320 0.000 0.000 0.257 271 A C 0.576 178.148 177.584 -0.020 0.000 1.089 271 A CA 0.090 52.135 52.037 0.012 0.000 0.794 271 A CB 0.062 19.070 19.000 0.012 0.000 1.029 271 A HN 1.115 nan 8.150 nan 0.000 0.488 272 G N -0.713 108.069 108.800 -0.029 0.000 2.687 272 G HA2 0.574 4.534 3.960 0.000 0.000 0.291 272 G HA3 0.574 4.534 3.960 0.000 0.000 0.291 272 G C -1.162 173.713 174.900 -0.041 0.000 1.420 272 G CA -0.326 44.741 45.100 -0.055 0.000 0.796 272 G HN 0.893 nan 8.290 nan 0.000 0.485 273 S N 0.111 115.780 115.700 -0.052 0.000 2.614 273 S HA 0.465 4.935 4.470 0.000 0.000 0.288 273 S C -0.418 174.170 174.600 -0.019 0.000 1.137 273 S CA -0.494 57.690 58.200 -0.028 0.000 0.992 273 S CB 1.432 64.612 63.200 -0.032 0.000 1.026 273 S HN 0.654 nan 8.310 nan 0.000 0.486 274 M N 4.046 123.658 119.600 0.020 0.000 2.084 274 M HA 0.314 4.794 4.480 0.000 0.000 0.351 274 M C -0.233 176.112 176.300 0.076 0.000 1.240 274 M CA -0.007 55.327 55.300 0.057 0.000 1.083 274 M CB 0.600 33.271 32.600 0.118 0.000 1.593 274 M HN 0.636 nan 8.290 nan 0.000 0.463 275 T N 4.298 118.875 114.554 0.038 0.000 2.794 275 T HA 0.593 4.943 4.350 0.000 0.000 0.280 275 T C -1.060 173.686 174.700 0.077 0.000 0.987 275 T CA -0.596 61.526 62.100 0.036 0.000 0.993 275 T CB 0.695 69.545 68.868 -0.030 0.000 0.939 275 T HN 0.508 nan 8.240 nan 0.000 0.449 276 V N 5.698 125.641 119.914 0.048 0.000 2.443 276 V HA 0.344 4.464 4.120 0.000 0.000 0.272 276 V C 0.190 176.304 176.094 0.033 0.000 1.002 276 V CA -0.958 61.313 62.300 -0.047 0.000 0.840 276 V CB 1.137 32.794 31.823 -0.277 0.000 1.042 276 V HN 1.074 nan 8.190 nan 0.000 0.446 277 S N 3.024 118.728 115.700 0.006 0.000 2.400 277 S HA 0.725 5.195 4.470 0.000 0.000 0.295 277 S C 0.341 174.957 174.600 0.027 0.000 1.113 277 S CA -0.180 58.037 58.200 0.028 0.000 1.064 277 S CB 1.302 64.511 63.200 0.015 0.000 0.990 277 S HN 1.005 nan 8.310 nan 0.000 0.502 278 A N 3.183 126.039 122.820 0.060 0.000 2.388 278 A HA 0.695 5.015 4.320 0.000 0.000 0.257 278 A C 0.522 178.128 177.584 0.036 0.000 1.095 278 A CA -0.446 51.627 52.037 0.061 0.000 0.791 278 A CB 0.645 19.703 19.000 0.096 0.000 1.029 278 A HN 0.892 nan 8.150 nan 0.000 0.489 279 S N 0.666 116.380 115.700 0.022 0.000 2.776 279 S HA 0.567 5.037 4.470 0.000 0.000 0.292 279 S C -1.144 173.460 174.600 0.006 0.000 1.187 279 S CA -0.814 57.386 58.200 -0.001 0.000 0.834 279 S CB 1.161 64.349 63.200 -0.020 0.000 1.199 279 S HN 0.775 nan 8.310 nan 0.000 0.514 280 N N 0.972 119.665 118.700 -0.012 0.000 2.314 280 N HA 0.596 5.336 4.740 0.000 0.000 0.304 280 N C -0.865 174.665 175.510 0.034 0.000 1.073 280 N CA -0.341 52.718 53.050 0.015 0.000 0.822 280 N CB 1.755 40.248 38.487 0.011 0.000 1.280 280 N HN 0.758 nan 8.380 nan 0.000 0.489 281 A N 3.313 126.173 122.820 0.067 0.000 2.505 281 A HA 0.089 4.409 4.320 0.000 0.000 0.271 281 A C 1.742 179.405 177.584 0.132 0.000 1.112 281 A CA -0.255 51.841 52.037 0.099 0.000 0.781 281 A CB -0.453 18.617 19.000 0.116 0.000 1.059 281 A HN 0.658 nan 8.150 nan 0.000 0.508 282 I N 1.722 122.377 120.570 0.142 0.000 2.462 282 I HA -0.286 3.884 4.170 0.000 0.000 0.259 282 I C 1.571 177.886 176.117 0.330 0.000 1.156 282 I CA 1.945 63.364 61.300 0.197 0.000 1.417 282 I CB -1.378 36.719 38.000 0.161 0.000 1.088 282 I HN 0.824 nan 8.210 nan 0.000 0.442 283 F N -0.224 119.749 119.950 0.038 0.000 2.532 283 F HA 0.087 4.614 4.527 0.000 0.000 0.276 283 F C 1.204 177.018 175.800 0.023 0.000 0.911 283 F CA -0.642 57.373 58.000 0.025 0.000 1.196 283 F CB 0.332 39.346 39.000 0.023 0.000 1.087 283 F HN -0.059 nan 8.300 nan 0.000 0.775 284 Q N 2.752 122.672 119.800 0.199 0.000 2.479 284 Q HA 0.056 4.396 4.340 0.000 0.000 0.267 284 Q C -2.338 173.695 176.000 0.055 0.000 1.071 284 Q CA -1.401 54.459 55.803 0.095 0.000 0.935 284 Q CB -0.609 28.195 28.738 0.109 0.000 1.295 284 Q HN 0.021 nan 8.270 nan 0.000 0.476 285 P HA -0.061 nan 4.420 nan 0.000 0.260 285 P C -0.297 177.021 177.300 0.030 0.000 1.207 285 P CA 0.370 63.481 63.100 0.019 0.000 0.780 285 P CB 0.864 32.570 31.700 0.011 0.000 0.789 286 S N 3.820 119.536 115.700 0.027 0.000 2.369 286 S HA -0.216 4.254 4.470 0.000 0.000 0.225 286 S C 1.594 176.212 174.600 0.030 0.000 1.043 286 S CA 1.994 60.212 58.200 0.030 0.000 1.074 286 S CB -0.881 62.332 63.200 0.023 0.000 0.962 286 S HN 0.682 nan 8.310 nan 0.000 0.433 287 N N 1.052 119.765 118.700 0.022 0.000 2.666 287 N HA -0.048 4.692 4.740 0.000 0.000 0.194 287 N C 0.593 176.117 175.510 0.024 0.000 1.220 287 N CA 1.094 54.156 53.050 0.020 0.000 0.928 287 N CB -0.493 38.001 38.487 0.013 0.000 0.997 287 N HN 0.429 nan 8.380 nan 0.000 0.447 288 T N -1.567 113.006 114.554 0.031 0.000 3.313 288 T HA 0.187 4.537 4.350 0.000 0.000 0.266 288 T C 0.261 174.993 174.700 0.052 0.000 0.987 288 T CA -0.052 62.070 62.100 0.036 0.000 1.086 288 T CB 0.454 69.341 68.868 0.031 0.000 1.159 288 T HN 0.070 nan 8.240 nan 0.000 0.450 289 V N 1.517 121.467 119.914 0.061 0.000 2.628 289 V HA 0.899 5.019 4.120 0.000 0.000 0.306 289 V C -1.358 174.785 176.094 0.081 0.000 1.045 289 V CA -0.695 61.655 62.300 0.083 0.000 0.905 289 V CB 1.318 33.197 31.823 0.092 0.000 0.997 289 V HN 0.572 nan 8.190 nan 0.000 0.436 290 A N 5.623 128.500 122.820 0.095 0.000 2.344 290 A HA 0.883 5.203 4.320 0.000 0.000 0.307 290 A C -0.024 177.606 177.584 0.077 0.000 1.151 290 A CA -0.837 51.248 52.037 0.079 0.000 0.842 290 A CB 1.559 20.608 19.000 0.081 0.000 1.350 290 A HN 0.866 nan 8.150 nan 0.000 0.459 291 R N 1.172 121.701 120.500 0.048 0.000 2.711 291 R HA 0.188 4.528 4.340 0.000 0.000 0.350 291 R C -0.152 176.144 176.300 -0.007 0.000 1.146 291 R CA -0.367 55.751 56.100 0.029 0.000 1.190 291 R CB -0.055 30.265 30.300 0.033 0.000 1.312 291 R HN 0.818 nan 8.270 nan 0.000 0.635 292 I N -0.393 120.165 120.570 -0.021 0.000 2.892 292 I HA 0.157 4.327 4.170 0.000 0.000 0.287 292 I C -0.420 175.633 176.117 -0.107 0.000 1.205 292 I CA 0.202 61.472 61.300 -0.049 0.000 1.409 292 I CB 0.866 38.838 38.000 -0.047 0.000 1.367 292 I HN -0.180 nan 8.210 nan 0.000 0.597 293 V N 6.521 126.381 119.914 -0.090 0.000 2.398 293 V HA 0.294 4.414 4.120 0.000 0.000 0.286 293 V C -0.913 175.113 176.094 -0.113 0.000 1.026 293 V CA -0.308 61.926 62.300 -0.110 0.000 0.868 293 V CB 1.325 33.105 31.823 -0.073 0.000 0.982 293 V HN 0.860 nan 8.190 nan 0.000 0.443 294 W N 6.418 127.437 121.300 -0.469 0.000 2.499 294 W HA 0.703 5.363 4.660 0.000 0.000 0.320 294 W C -0.092 176.055 176.519 -0.619 0.000 1.010 294 W CA -0.667 56.335 57.345 -0.571 0.000 1.267 294 W CB 1.473 30.426 29.460 -0.845 0.000 1.316 294 W HN 0.600 nan 8.180 nan 0.000 0.431 295 S N 4.748 120.075 115.700 -0.621 0.000 2.677 295 S HA 0.833 5.303 4.470 0.000 0.000 0.304 295 S C -1.029 173.267 174.600 -0.506 0.000 1.108 295 S CA -0.965 56.761 58.200 -0.790 0.000 0.944 295 S CB 2.331 65.258 63.200 -0.454 0.000 1.127 295 S HN 0.362 nan 8.310 nan 0.000 0.511 296 I N 1.173 121.561 120.570 -0.303 0.000 2.560 296 I HA 0.221 4.391 4.170 0.000 0.000 0.283 296 I C 1.014 177.091 176.117 -0.067 0.000 1.115 296 I CA -0.472 60.782 61.300 -0.076 0.000 1.066 296 I CB 1.795 39.836 38.000 0.069 0.000 1.221 296 I HN 0.775 nan 8.210 nan 0.000 0.450 297 T N 5.925 120.399 114.554 -0.134 0.000 2.582 297 T HA -0.177 4.173 4.350 0.000 0.000 0.246 297 T C -0.925 173.503 174.700 -0.454 0.000 1.236 297 T CA 2.579 64.531 62.100 -0.247 0.000 1.125 297 T CB -0.565 68.195 68.868 -0.181 0.000 0.837 297 T HN 0.493 nan 8.240 nan 0.000 0.458 298 P HA 0.338 nan 4.420 nan 0.000 0.289 298 P C 0.005 177.349 177.300 0.074 0.000 1.303 298 P CA -0.086 62.842 63.100 -0.287 0.000 0.946 298 P CB -0.004 31.613 31.700 -0.139 0.000 1.454 299 L N 2.608 123.885 121.223 0.091 0.000 2.410 299 L HA 0.379 4.719 4.340 0.000 0.000 0.273 299 L C -2.608 174.427 176.870 0.275 0.000 1.152 299 L CA -2.048 52.882 54.840 0.150 0.000 0.855 299 L CB -0.362 41.743 42.059 0.077 0.000 1.129 299 L HN -0.216 nan 8.230 nan 0.000 0.463 300 P HA -0.013 nan 4.420 nan 0.000 0.268 300 P C -0.907 176.495 177.300 0.171 0.000 1.204 300 P CA -0.191 63.013 63.100 0.173 0.000 0.768 300 P CB 0.695 32.457 31.700 0.103 0.000 0.842 301 V N 3.493 123.488 119.914 0.136 0.000 2.539 301 V HA 0.268 4.388 4.120 0.000 0.000 0.300 301 V C -0.100 176.074 176.094 0.134 0.000 1.019 301 V CA 0.676 63.060 62.300 0.141 0.000 1.160 301 V CB -1.022 30.815 31.823 0.024 0.000 0.901 301 V HN 0.668 nan 8.190 nan 0.000 0.481 302 A N 4.866 127.806 122.820 0.200 0.000 2.408 302 A HA 0.625 4.945 4.320 0.000 0.000 0.295 302 A C -0.013 177.680 177.584 0.181 0.000 1.040 302 A CA -0.458 51.678 52.037 0.165 0.000 0.707 302 A CB 1.385 20.509 19.000 0.208 0.000 1.235 302 A HN 0.834 nan 8.150 nan 0.000 0.418 303 T N 2.222 116.871 114.554 0.158 0.000 2.778 303 T HA 0.252 4.602 4.350 0.000 0.000 0.282 303 T C 0.325 175.168 174.700 0.239 0.000 0.983 303 T CA 0.614 62.810 62.100 0.159 0.000 1.193 303 T CB -0.465 68.478 68.868 0.125 0.000 0.938 303 T HN 0.516 nan 8.240 nan 0.000 0.523 304 V N 3.921 123.973 119.914 0.231 0.000 2.368 304 V HA 0.580 4.700 4.120 0.000 0.000 0.266 304 V C 0.503 176.814 176.094 0.362 0.000 1.045 304 V CA -0.964 61.542 62.300 0.343 0.000 0.899 304 V CB 0.542 32.553 31.823 0.313 0.000 1.006 304 V HN 0.993 nan 8.190 nan 0.000 0.470 305 A N 5.352 128.382 122.820 0.351 0.000 2.330 305 A HA 0.769 5.089 4.320 0.000 0.000 0.327 305 A C -0.565 177.161 177.584 0.235 0.000 1.155 305 A CA -0.657 51.534 52.037 0.257 0.000 0.803 305 A CB 1.129 20.228 19.000 0.165 0.000 1.208 305 A HN 0.959 nan 8.150 nan 0.000 0.477 306 L N 3.480 124.737 121.223 0.057 0.000 2.361 306 L HA 0.325 4.665 4.340 0.000 0.000 0.278 306 L C 1.260 178.025 176.870 -0.175 0.000 1.113 306 L CA 0.528 55.159 54.840 -0.348 0.000 0.849 306 L CB 0.837 42.345 42.059 -0.918 0.000 1.155 306 L HN 0.968 nan 8.230 nan 0.000 0.452 307 T N -1.115 113.376 114.554 -0.105 0.000 3.053 307 T HA -0.000 4.350 4.350 0.000 0.000 0.236 307 T C 1.425 176.074 174.700 -0.085 0.000 0.996 307 T CA 0.779 62.848 62.100 -0.052 0.000 1.185 307 T CB -0.176 68.704 68.868 0.021 0.000 0.892 307 T HN 0.596 nan 8.240 nan 0.000 0.432 308 T N 1.745 116.247 114.554 -0.087 0.000 2.896 308 T HA 0.309 4.659 4.350 0.000 0.000 0.263 308 T C 1.397 176.019 174.700 -0.129 0.000 1.050 308 T CA 0.678 62.729 62.100 -0.081 0.000 1.140 308 T CB -0.651 68.191 68.868 -0.043 0.000 0.877 308 T HN 0.640 nan 8.240 nan 0.000 0.457 309 G N 0.683 109.343 108.800 -0.233 0.000 2.508 309 G HA2 0.273 4.233 3.960 0.000 0.000 0.278 309 G HA3 0.273 4.233 3.960 0.000 0.000 0.278 309 G C 1.037 175.799 174.900 -0.229 0.000 1.389 309 G CA -0.094 44.850 45.100 -0.259 0.000 1.050 309 G HN 0.117 nan 8.290 nan 0.000 0.522 310 T N -0.312 114.127 114.554 -0.191 0.000 2.777 310 T HA 0.318 4.668 4.350 0.000 0.000 0.266 310 T C 1.068 175.693 174.700 -0.125 0.000 1.040 310 T CA 1.923 63.954 62.100 -0.114 0.000 1.141 310 T CB -0.584 68.255 68.868 -0.048 0.000 0.868 310 T HN 1.738 nan 8.240 nan 0.000 0.444 311 G N -1.203 107.475 108.800 -0.204 0.000 2.357 311 G HA2 0.441 4.401 3.960 0.000 0.000 0.643 311 G HA3 0.441 4.401 3.960 0.000 0.000 0.643 311 G C -0.043 174.886 174.900 0.048 0.000 1.358 311 G CA -0.489 44.528 45.100 -0.138 0.000 0.986 311 G HN 1.050 nan 8.290 nan 0.000 0.620 312 G N -1.217 107.672 108.800 0.149 0.000 2.905 312 G HA2 0.538 4.498 3.960 0.000 0.000 0.210 312 G HA3 0.538 4.498 3.960 0.000 0.000 0.210 312 G C -0.049 175.125 174.900 0.456 0.000 0.991 312 G CA 1.069 46.329 45.100 0.267 0.000 1.210 312 G HN 2.504 nan 8.290 nan 0.000 0.602 313 T N -0.367 114.430 114.554 0.405 0.000 2.916 313 T HA 0.795 5.145 4.350 0.000 0.000 0.292 313 T C -0.729 174.087 174.700 0.193 0.000 1.064 313 T CA -0.658 61.687 62.100 0.409 0.000 1.011 313 T CB 1.857 71.118 68.868 0.655 0.000 1.152 313 T HN 0.343 nan 8.240 nan 0.000 0.510 314 N N 3.010 121.777 118.700 0.112 0.000 2.976 314 N HA 0.143 4.883 4.740 0.000 0.000 0.220 314 N C -1.236 174.271 175.510 -0.005 0.000 1.428 314 N CA -0.524 52.555 53.050 0.049 0.000 0.748 314 N CB 0.903 39.407 38.487 0.027 0.000 1.484 314 N HN 0.806 nan 8.380 nan 0.000 0.578 315 N N 0.228 118.928 118.700 0.001 0.000 2.525 315 N HA 0.099 4.839 4.740 0.000 0.000 0.271 315 N C 0.949 176.413 175.510 -0.077 0.000 1.194 315 N CA -0.129 52.884 53.050 -0.062 0.000 0.964 315 N CB 0.872 39.342 38.487 -0.028 0.000 1.126 315 N HN 0.297 nan 8.380 nan 0.000 0.452 316 T N -1.383 113.093 114.554 -0.130 0.000 2.895 316 T HA 0.085 4.435 4.350 0.000 0.000 0.386 316 T C 1.106 175.755 174.700 -0.085 0.000 1.112 316 T CA 0.634 62.666 62.100 -0.114 0.000 1.070 316 T CB -0.104 68.677 68.868 -0.145 0.000 1.319 316 T HN 0.716 nan 8.240 nan 0.000 0.519 317 S N -2.561 113.085 115.700 -0.091 0.000 2.820 317 S HA 0.400 4.870 4.470 0.000 0.000 0.265 317 S C 1.063 175.605 174.600 -0.098 0.000 1.043 317 S CA -0.198 57.954 58.200 -0.079 0.000 1.245 317 S CB -0.478 62.675 63.200 -0.077 0.000 1.187 317 S HN 1.120 nan 8.310 nan 0.000 0.673 318 G N 2.752 111.485 108.800 -0.110 0.000 2.716 318 G HA2 0.282 4.242 3.960 0.000 0.000 0.251 318 G HA3 0.282 4.242 3.960 0.000 0.000 0.251 318 G C 0.703 175.516 174.900 -0.145 0.000 1.224 318 G CA -0.032 44.995 45.100 -0.123 0.000 0.891 318 G HN 0.518 nan 8.290 nan 0.000 0.561 319 K N -1.242 119.014 120.400 -0.240 0.000 2.103 319 K HA 0.047 4.367 4.320 0.000 0.000 0.204 319 K C 0.064 176.424 176.600 -0.399 0.000 1.052 319 K CA 0.656 56.715 56.287 -0.382 0.000 0.945 319 K CB -0.084 32.061 32.500 -0.593 0.000 0.722 319 K HN 0.229 nan 8.250 nan 0.000 0.443 320 F N 1.037 120.981 119.950 -0.011 0.000 2.378 320 F HA 0.272 4.799 4.527 0.000 0.000 0.325 320 F C 0.181 175.960 175.800 -0.035 0.000 1.097 320 F CA -1.998 55.999 58.000 -0.005 0.000 1.079 320 F CB 0.460 39.451 39.000 -0.014 0.000 1.240 320 F HN -0.104 nan 8.300 nan 0.000 0.519 321 F N 2.287 122.258 119.950 0.036 0.000 2.471 321 F HA 0.438 4.965 4.527 0.000 0.000 0.365 321 F C 0.048 175.661 175.800 -0.312 0.000 1.095 321 F CA 0.169 58.057 58.000 -0.187 0.000 1.174 321 F CB 0.050 38.882 39.000 -0.280 0.000 1.105 321 F HN 0.289 nan 8.300 nan 0.000 0.535 322 S N 5.003 120.031 115.700 -1.120 0.000 2.588 322 S HA 0.890 5.360 4.470 0.000 0.000 0.275 322 S C -1.617 172.410 174.600 -0.956 0.000 1.130 322 S CA -0.528 57.008 58.200 -1.105 0.000 0.855 322 S CB 1.442 64.337 63.200 -0.508 0.000 1.116 322 S HN 0.635 nan 8.310 nan 0.000 0.472 323 V N 2.008 121.464 119.914 -0.764 0.000 3.049 323 V HA 0.707 4.827 4.120 0.000 0.000 0.309 323 V C -1.086 174.848 176.094 -0.266 0.000 1.148 323 V CA -0.876 61.159 62.300 -0.441 0.000 0.990 323 V CB 1.803 33.405 31.823 -0.369 0.000 1.039 323 V HN 0.906 nan 8.190 nan 0.000 0.430 324 E N 3.694 123.793 120.200 -0.167 0.000 2.186 324 E HA 0.739 5.089 4.350 0.000 0.000 0.255 324 E C -1.020 175.533 176.600 -0.079 0.000 0.881 324 E CA -0.368 55.969 56.400 -0.105 0.000 0.752 324 E CB 1.147 30.811 29.700 -0.060 0.000 1.176 324 E HN 0.801 nan 8.360 nan 0.000 0.421 325 I N 1.209 121.699 120.570 -0.133 0.000 2.692 325 I HA 0.641 4.811 4.170 0.000 0.000 0.293 325 I C -1.668 174.407 176.117 -0.071 0.000 1.200 325 I CA -1.017 60.206 61.300 -0.128 0.000 1.036 325 I CB 2.315 39.952 38.000 -0.606 0.000 1.258 325 I HN 0.303 nan 8.210 nan 0.000 0.421 326 D N 3.735 124.225 120.400 0.150 0.000 2.481 326 D HA 0.860 5.500 4.640 0.000 0.000 0.244 326 D C -0.315 176.225 176.300 0.401 0.000 1.057 326 D CA -0.567 53.547 54.000 0.190 0.000 0.848 326 D CB 2.268 43.158 40.800 0.150 0.000 1.388 326 D HN 1.075 nan 8.370 nan 0.000 0.475 327 G N 0.787 109.802 108.800 0.359 0.000 2.349 327 G HA2 0.230 4.190 3.960 0.000 0.000 0.294 327 G HA3 0.230 4.190 3.960 0.000 0.000 0.294 327 G C -1.173 173.887 174.900 0.266 0.000 1.380 327 G CA -0.926 44.421 45.100 0.412 0.000 0.811 327 G HN 0.472 nan 8.290 nan 0.000 0.519 328 N N -1.032 117.782 118.700 0.190 0.000 2.448 328 N HA 0.393 5.133 4.740 0.000 0.000 0.274 328 N C 1.746 177.325 175.510 0.115 0.000 1.239 328 N CA -0.400 52.721 53.050 0.118 0.000 0.982 328 N CB 1.565 40.093 38.487 0.068 0.000 1.199 328 N HN 0.186 nan 8.380 nan 0.000 0.576 329 V N 1.565 121.520 119.914 0.068 0.000 2.221 329 V HA -0.358 3.763 4.120 0.000 0.000 0.244 329 V C 2.204 178.318 176.094 0.034 0.000 1.043 329 V CA 2.588 64.916 62.300 0.047 0.000 0.996 329 V CB -1.190 30.648 31.823 0.024 0.000 0.636 329 V HN 0.836 nan 8.190 nan 0.000 0.454 330 N N 0.947 119.655 118.700 0.013 0.000 2.144 330 N HA -0.196 4.544 4.740 0.000 0.000 0.195 330 N C 0.908 176.407 175.510 -0.020 0.000 1.006 330 N CA 1.464 54.511 53.050 -0.006 0.000 0.880 330 N CB -0.820 37.659 38.487 -0.013 0.000 1.018 330 N HN 0.470 nan 8.380 nan 0.000 0.443 331 S N -0.815 114.870 115.700 -0.024 0.000 2.550 331 S HA 0.246 4.716 4.470 0.000 0.000 0.285 331 S C -0.234 174.336 174.600 -0.051 0.000 1.326 331 S CA -0.169 57.956 58.200 -0.125 0.000 1.037 331 S CB 0.843 63.931 63.200 -0.187 0.000 0.838 331 S HN 0.221 nan 8.310 nan 0.000 0.519 332 V N 2.907 122.712 119.914 -0.181 0.000 2.697 332 V HA 0.319 4.439 4.120 0.000 0.000 0.300 332 V C -0.625 175.531 176.094 0.103 0.000 1.115 332 V CA -0.842 61.511 62.300 0.089 0.000 0.912 332 V CB 1.286 33.140 31.823 0.052 0.000 1.024 332 V HN 0.905 nan 8.190 nan 0.000 0.431 333 W N 1.554 122.961 121.300 0.178 0.000 2.415 333 W HA 0.728 5.388 4.660 0.000 0.000 0.355 333 W C 0.328 177.050 176.519 0.338 0.000 1.161 333 W CA -0.388 57.117 57.345 0.268 0.000 1.315 333 W CB 2.081 31.756 29.460 0.358 0.000 1.261 333 W HN 0.532 nan 8.180 nan 0.000 0.636 334 T N 0.626 115.536 114.554 0.594 0.000 2.841 334 T HA 0.730 5.080 4.350 0.000 0.000 0.296 334 T C -1.723 173.361 174.700 0.640 0.000 1.166 334 T CA -0.389 62.028 62.100 0.528 0.000 1.007 334 T CB 1.600 70.633 68.868 0.276 0.000 1.253 334 T HN 0.360 nan 8.240 nan 0.000 0.511 335 F N -1.163 118.905 119.950 0.196 0.000 2.767 335 F HA 0.470 4.997 4.527 0.000 0.000 0.317 335 F C -1.087 174.743 175.800 0.049 0.000 1.119 335 F CA -1.053 57.013 58.000 0.110 0.000 0.971 335 F CB 0.475 39.523 39.000 0.081 0.000 1.251 335 F HN 0.411 nan 8.300 nan 0.000 0.450 336 T N 3.086 117.588 114.554 -0.086 0.000 2.727 336 T HA 0.562 4.912 4.350 0.000 0.000 0.295 336 T C 0.410 174.988 174.700 -0.204 0.000 0.915 336 T CA 0.253 62.245 62.100 -0.179 0.000 1.066 336 T CB 0.694 69.541 68.868 -0.034 0.000 0.891 336 T HN 0.936 nan 8.240 nan 0.000 0.516 337 A N 6.655 129.240 122.820 -0.392 0.000 2.524 337 A HA 0.226 4.546 4.320 0.000 0.000 0.271 337 A C -0.989 176.566 177.584 -0.050 0.000 1.097 337 A CA -0.977 50.927 52.037 -0.221 0.000 0.791 337 A CB -0.151 18.734 19.000 -0.191 0.000 1.028 337 A HN 0.494 nan 8.150 nan 0.000 0.518 338 P HA -0.080 nan 4.420 nan 0.000 0.217 338 P C 0.459 177.777 177.300 0.030 0.000 1.148 338 P CA 2.204 65.325 63.100 0.035 0.000 0.828 338 P CB 0.253 31.989 31.700 0.060 0.000 0.783 339 A N -2.845 119.989 122.820 0.024 0.000 2.602 339 A HA 0.544 4.864 4.320 0.000 0.000 0.290 339 A C -0.382 177.206 177.584 0.007 0.000 1.114 339 A CA -0.459 51.593 52.037 0.027 0.000 0.683 339 A CB 0.489 19.517 19.000 0.047 0.000 1.281 339 A HN -0.192 nan 8.150 nan 0.000 0.416 340 S N -0.431 115.266 115.700 -0.004 0.000 2.558 340 S HA 0.386 4.856 4.470 0.000 0.000 0.287 340 S C -0.190 174.362 174.600 -0.080 0.000 1.321 340 S CA 0.558 58.728 58.200 -0.049 0.000 1.048 340 S CB -0.273 62.866 63.200 -0.101 0.000 0.844 340 S HN 0.466 nan 8.310 nan 0.000 0.512 341 I N 2.336 122.876 120.570 -0.049 0.000 2.610 341 I HA 0.331 4.501 4.170 0.000 0.000 0.289 341 I C -0.586 175.535 176.117 0.006 0.000 1.163 341 I CA -0.426 60.857 61.300 -0.027 0.000 1.044 341 I CB 1.358 39.387 38.000 0.050 0.000 1.251 341 I HN 0.389 nan 8.210 nan 0.000 0.424 342 L N 4.693 125.884 121.223 -0.054 0.000 2.492 342 L HA 1.007 5.347 4.340 0.000 0.000 0.263 342 L C -0.006 176.886 176.870 0.038 0.000 1.062 342 L CA -0.840 53.996 54.840 -0.006 0.000 0.817 342 L CB 1.647 43.666 42.059 -0.068 0.000 1.441 342 L HN 0.766 nan 8.230 nan 0.000 0.493 343 A N -0.175 122.682 122.820 0.062 0.000 2.588 343 A HA 0.321 4.641 4.320 0.000 0.000 0.305 343 A C -0.565 177.067 177.584 0.080 0.000 0.991 343 A CA -0.663 51.411 52.037 0.063 0.000 0.784 343 A CB 0.310 19.344 19.000 0.057 0.000 1.189 343 A HN 0.793 nan 8.150 nan 0.000 0.390 344 E N 0.877 121.114 120.200 0.061 0.000 2.269 344 E HA -0.224 4.126 4.350 0.000 0.000 0.223 344 E C 1.372 178.007 176.600 0.057 0.000 1.244 344 E CA 1.822 58.257 56.400 0.059 0.000 0.713 344 E CB -1.579 28.164 29.700 0.072 0.000 1.178 344 E HN 2.637 nan 8.360 nan 0.000 0.370 345 G N 0.023 108.853 108.800 0.049 0.000 4.825 345 G HA2 -0.427 3.533 3.960 0.000 0.000 0.224 345 G HA3 -0.427 3.533 3.960 0.000 0.000 0.224 345 G C 0.204 175.134 174.900 0.051 0.000 1.356 345 G CA 0.602 45.730 45.100 0.047 0.000 0.966 345 G HN 0.369 nan 8.290 nan 0.000 0.690 346 E N 3.537 123.771 120.200 0.057 0.000 2.413 346 E HA 0.291 4.641 4.350 0.000 0.000 0.263 346 E C -1.970 174.672 176.600 0.071 0.000 1.015 346 E CA -0.989 55.445 56.400 0.057 0.000 0.916 346 E CB 0.381 30.114 29.700 0.055 0.000 0.947 346 E HN 0.487 nan 8.360 nan 0.000 0.440 347 P HA -0.022 nan 4.420 nan 0.000 0.271 347 P C -0.132 177.225 177.300 0.095 0.000 1.218 347 P CA 0.093 63.223 63.100 0.051 0.000 0.780 347 P CB 0.598 32.307 31.700 0.015 0.000 0.901 348 F N 2.623 122.561 119.950 -0.020 0.000 2.479 348 F HA 0.475 5.002 4.527 0.000 0.000 0.280 348 F C 0.533 176.324 175.800 -0.015 0.000 0.982 348 F CA 0.535 58.535 58.000 -0.001 0.000 1.276 348 F CB 0.124 39.138 39.000 0.024 0.000 1.137 348 F HN 0.426 nan 8.300 nan 0.000 0.660 349 A N 0.039 123.025 122.820 0.276 0.000 2.437 349 A HA 0.727 5.047 4.320 0.000 0.000 0.292 349 A C -1.222 176.383 177.584 0.035 0.000 1.173 349 A CA -0.584 51.528 52.037 0.125 0.000 0.785 349 A CB 1.258 20.411 19.000 0.255 0.000 1.351 349 A HN 0.320 nan 8.150 nan 0.000 0.431 350 E N -0.397 119.803 120.200 0.000 0.000 2.393 350 E HA 0.218 4.568 4.350 0.000 0.000 0.273 350 E C -0.112 176.482 176.600 -0.010 0.000 0.918 350 E CA -0.955 55.443 56.400 -0.005 0.000 0.773 350 E CB 1.702 31.398 29.700 -0.008 0.000 1.275 350 E HN 0.693 nan 8.360 nan 0.000 0.451 351 E N 1.688 121.889 120.200 0.003 0.000 2.119 351 E HA -0.244 4.106 4.350 0.000 0.000 0.221 351 E C 1.490 178.080 176.600 -0.016 0.000 1.062 351 E CA 2.286 58.687 56.400 0.003 0.000 0.894 351 E CB -0.485 29.226 29.700 0.017 0.000 0.785 351 E HN 0.806 nan 8.360 nan 0.000 0.472 352 G N 0.997 109.788 108.800 -0.015 0.000 2.882 352 G HA2 -0.089 3.871 3.960 0.000 0.000 0.206 352 G HA3 -0.089 3.871 3.960 0.000 0.000 0.206 352 G C 0.204 175.077 174.900 -0.045 0.000 1.155 352 G CA 0.008 45.093 45.100 -0.025 0.000 0.800 352 G HN 0.172 nan 8.290 nan 0.000 0.524 353 D N -0.097 120.268 120.400 -0.059 0.000 2.411 353 D HA 0.415 5.055 4.640 0.000 0.000 0.251 353 D C -0.107 176.113 176.300 -0.134 0.000 1.201 353 D CA 0.481 54.431 54.000 -0.082 0.000 0.996 353 D CB 1.118 41.873 40.800 -0.074 0.000 1.101 353 D HN -0.161 nan 8.370 nan 0.000 0.504 354 T N 0.655 115.126 114.554 -0.139 0.000 2.930 354 T HA 0.298 4.648 4.350 0.000 0.000 0.313 354 T C -0.412 174.189 174.700 -0.166 0.000 1.019 354 T CA -0.555 61.428 62.100 -0.195 0.000 1.004 354 T CB 0.918 69.729 68.868 -0.095 0.000 0.987 354 T HN 0.101 nan 8.240 nan 0.000 0.456 355 T N 3.197 117.526 114.554 -0.376 0.000 2.869 355 T HA 0.455 4.805 4.350 0.000 0.000 0.295 355 T C 0.079 174.888 174.700 0.181 0.000 0.987 355 T CA -0.482 61.589 62.100 -0.047 0.000 1.109 355 T CB 0.676 69.520 68.868 -0.039 0.000 0.932 355 T HN 0.452 nan 8.240 nan 0.000 0.518 356 S N 2.583 118.478 115.700 0.326 0.000 2.659 356 S HA 0.517 4.987 4.470 0.000 0.000 0.312 356 S C -1.025 173.776 174.600 0.335 0.000 1.114 356 S CA -0.786 57.616 58.200 0.338 0.000 1.063 356 S CB 0.573 63.892 63.200 0.198 0.000 0.996 356 S HN 0.628 nan 8.310 nan 0.000 0.478 357 F N 2.889 122.950 119.950 0.185 0.000 2.436 357 F HA 0.762 5.289 4.527 0.000 0.000 0.340 357 F C 0.116 175.936 175.800 0.034 0.000 1.113 357 F CA -0.044 57.876 58.000 -0.134 0.000 1.022 357 F CB 1.329 39.791 39.000 -0.897 0.000 1.128 357 F HN 0.557 nan 8.300 nan 0.000 0.466 358 S N 5.796 120.903 115.700 -0.989 0.000 2.720 358 S HA 0.819 5.289 4.470 0.000 0.000 0.287 358 S C -1.143 172.996 174.600 -0.769 0.000 1.168 358 S CA -0.915 56.910 58.200 -0.624 0.000 0.832 358 S CB 1.394 64.481 63.200 -0.189 0.000 1.166 358 S HN 0.698 nan 8.310 nan 0.000 0.493 359 M N 1.819 121.237 119.600 -0.303 0.000 2.204 359 M HA 0.440 4.920 4.480 0.000 0.000 0.293 359 M C 0.072 176.341 176.300 -0.052 0.000 0.994 359 M CA -0.822 54.394 55.300 -0.141 0.000 0.925 359 M CB 1.316 33.895 32.600 -0.035 0.000 1.577 359 M HN 0.507 nan 8.290 nan 0.000 0.439 360 T N 0.252 114.781 114.554 -0.041 0.000 2.732 360 T HA 0.018 4.368 4.350 0.000 0.000 0.261 360 T C 0.743 175.437 174.700 -0.009 0.000 1.040 360 T CA 1.355 63.441 62.100 -0.025 0.000 1.145 360 T CB -0.175 68.676 68.868 -0.029 0.000 0.866 360 T HN 0.825 nan 8.240 nan 0.000 0.427 361 T N 0.963 115.513 114.554 -0.005 0.000 2.887 361 T HA 0.725 5.075 4.350 0.000 0.000 0.288 361 T C -0.563 174.148 174.700 0.019 0.000 1.021 361 T CA -0.714 61.388 62.100 0.004 0.000 1.000 361 T CB 1.937 70.803 68.868 -0.005 0.000 1.034 361 T HN 0.151 nan 8.240 nan 0.000 0.467 362 I N 2.513 123.097 120.570 0.024 0.000 2.641 362 I HA 0.197 4.367 4.170 0.000 0.000 0.275 362 I C 0.143 176.276 176.117 0.027 0.000 1.129 362 I CA -0.645 60.676 61.300 0.034 0.000 1.094 362 I CB 1.240 39.268 38.000 0.047 0.000 1.232 362 I HN 0.647 nan 8.210 nan 0.000 0.503 363 T N 2.441 117.008 114.554 0.022 0.000 2.813 363 T HA 0.145 4.496 4.350 0.000 0.000 0.297 363 T C 1.484 176.197 174.700 0.022 0.000 1.036 363 T CA -0.112 61.999 62.100 0.018 0.000 1.044 363 T CB 1.470 70.347 68.868 0.014 0.000 0.993 363 T HN 0.641 nan 8.240 nan 0.000 0.535 364 A N 0.936 123.767 122.820 0.019 0.000 2.259 364 A HA -0.054 4.266 4.320 0.000 0.000 0.212 364 A C 1.559 179.156 177.584 0.021 0.000 1.178 364 A CA 1.464 53.513 52.037 0.019 0.000 0.734 364 A CB -0.437 18.572 19.000 0.015 0.000 0.774 364 A HN 0.920 nan 8.150 nan 0.000 0.481 365 D N -3.205 117.207 120.400 0.021 0.000 2.204 365 D HA 0.013 4.653 4.640 0.000 0.000 0.337 365 D C 0.295 176.610 176.300 0.026 0.000 1.054 365 D CA 0.879 54.892 54.000 0.022 0.000 0.869 365 D CB -0.631 40.181 40.800 0.020 0.000 1.548 365 D HN 0.258 nan 8.370 nan 0.000 0.530 366 T N -0.065 114.504 114.554 0.024 0.000 2.952 366 T HA 0.727 5.077 4.350 0.000 0.000 0.286 366 T C -0.138 174.580 174.700 0.031 0.000 1.024 366 T CA -0.739 61.375 62.100 0.024 0.000 1.029 366 T CB 2.705 71.580 68.868 0.012 0.000 1.094 366 T HN -0.050 nan 8.240 nan 0.000 0.515 367 V N 0.961 120.896 119.914 0.035 0.000 2.851 367 V HA 0.533 4.653 4.120 0.000 0.000 0.307 367 V C -0.813 175.295 176.094 0.023 0.000 1.129 367 V CA -0.861 61.471 62.300 0.053 0.000 0.932 367 V CB 2.147 34.034 31.823 0.107 0.000 1.024 367 V HN 0.865 nan 8.190 nan 0.000 0.426 368 V N 5.004 124.918 119.914 0.001 0.000 2.628 368 V HA 0.714 4.834 4.120 0.000 0.000 0.306 368 V C -0.850 175.233 176.094 -0.017 0.000 1.045 368 V CA -0.614 61.634 62.300 -0.087 0.000 0.905 368 V CB 1.714 33.490 31.823 -0.079 0.000 0.997 368 V HN 0.931 nan 8.190 nan 0.000 0.436 369 Y N 1.391 121.667 120.300 -0.040 0.000 2.669 369 Y HA 0.898 5.448 4.550 0.000 0.000 0.335 369 Y C -0.314 175.505 175.900 -0.134 0.000 1.116 369 Y CA -1.603 56.409 58.100 -0.146 0.000 1.081 369 Y CB 1.691 40.121 38.460 -0.050 0.000 1.297 369 Y HN 0.609 nan 8.280 nan 0.000 0.484 370 S N 0.595 116.339 115.700 0.072 0.000 2.541 370 S HA 0.820 5.290 4.470 0.000 0.000 0.280 370 S C -1.975 172.675 174.600 0.084 0.000 1.112 370 S CA -0.638 57.624 58.200 0.103 0.000 0.925 370 S CB 1.471 64.680 63.200 0.015 0.000 1.067 370 S HN 0.840 nan 8.310 nan 0.000 0.479 371 V N 2.814 122.871 119.914 0.238 0.000 2.448 371 V HA 0.698 4.818 4.120 0.000 0.000 0.295 371 V C -0.435 175.951 176.094 0.486 0.000 1.025 371 V CA -0.554 61.919 62.300 0.289 0.000 0.859 371 V CB 1.530 33.455 31.823 0.170 0.000 0.988 371 V HN 0.986 nan 8.190 nan 0.000 0.431 372 S N 2.739 118.752 115.700 0.522 0.000 2.561 372 S HA 0.526 4.996 4.470 0.000 0.000 0.303 372 S C -0.232 174.541 174.600 0.289 0.000 1.110 372 S CA -0.526 57.924 58.200 0.416 0.000 1.034 372 S CB 1.767 65.073 63.200 0.176 0.000 1.010 372 S HN 0.796 nan 8.310 nan 0.000 0.482 373 S N 2.085 117.625 115.700 -0.268 0.000 2.585 373 S HA 0.397 4.867 4.470 0.000 0.000 0.277 373 S C 1.229 175.675 174.600 -0.257 0.000 1.241 373 S CA -0.611 57.305 58.200 -0.473 0.000 1.041 373 S CB 0.756 63.165 63.200 -1.318 0.000 0.987 373 S HN 0.626 nan 8.310 nan 0.000 0.512 374 S N 3.703 119.305 115.700 -0.164 0.000 2.336 374 S HA -0.080 4.390 4.470 0.000 0.000 0.214 374 S C 0.888 175.406 174.600 -0.138 0.000 1.032 374 S CA 0.431 58.563 58.200 -0.113 0.000 1.001 374 S CB -0.965 62.184 63.200 -0.085 0.000 0.953 374 S HN 0.905 nan 8.310 nan 0.000 0.430 375 L N 4.682 125.817 121.223 -0.147 0.000 3.021 375 L HA -0.066 4.274 4.340 0.000 0.000 0.301 375 L C 0.263 177.048 176.870 -0.142 0.000 1.011 375 L CA 0.046 54.805 54.840 -0.135 0.000 0.978 375 L CB -1.563 40.407 42.059 -0.149 0.000 1.479 375 L HN 0.448 nan 8.230 nan 0.000 0.457 376 T N 2.102 116.599 114.554 -0.094 0.000 2.932 376 T HA 0.503 4.853 4.350 0.000 0.000 0.312 376 T C 1.347 176.002 174.700 -0.075 0.000 1.071 376 T CA -0.141 61.911 62.100 -0.080 0.000 1.128 376 T CB 1.185 70.021 68.868 -0.053 0.000 0.984 376 T HN 1.699 nan 8.240 nan 0.000 0.549 377 G N 1.304 110.063 108.800 -0.068 0.000 2.213 377 G HA2 -0.251 3.709 3.960 0.000 0.000 0.236 377 G HA3 -0.251 3.709 3.960 0.000 0.000 0.236 377 G C 0.275 175.136 174.900 -0.064 0.000 0.991 377 G CA 0.139 45.208 45.100 -0.053 0.000 0.629 377 G HN 1.555 nan 8.290 nan 0.000 0.517 378 S N 0.163 115.795 115.700 -0.114 0.000 2.632 378 S HA 0.799 5.269 4.470 0.000 0.000 0.271 378 S C 0.271 174.800 174.600 -0.118 0.000 1.260 378 S CA 0.573 58.684 58.200 -0.149 0.000 1.010 378 S CB 2.005 65.004 63.200 -0.335 0.000 0.965 378 S HN 1.671 nan 8.310 nan 0.000 0.534 379 S N 0.493 116.161 115.700 -0.054 0.000 2.664 379 S HA 0.688 5.158 4.470 0.000 0.000 0.304 379 S C -0.224 174.425 174.600 0.083 0.000 1.099 379 S CA -0.911 57.293 58.200 0.007 0.000 1.003 379 S CB 0.909 64.132 63.200 0.039 0.000 1.092 379 S HN 0.675 nan 8.310 nan 0.000 0.525 380 V N 1.531 121.511 119.914 0.110 0.000 2.881 380 V HA 0.315 4.435 4.120 0.000 0.000 0.303 380 V C 0.042 176.279 176.094 0.239 0.000 1.070 380 V CA -0.459 61.968 62.300 0.212 0.000 1.074 380 V CB 0.524 32.427 31.823 0.134 0.000 1.012 380 V HN 0.759 nan 8.190 nan 0.000 0.482 381 I N 3.477 124.230 120.570 0.304 0.000 2.412 381 I HA 0.647 4.817 4.170 0.000 0.000 0.296 381 I C -0.562 175.668 176.117 0.188 0.000 0.987 381 I CA -0.547 60.886 61.300 0.222 0.000 1.180 381 I CB 1.668 39.788 38.000 0.199 0.000 1.340 381 I HN 0.280 nan 8.210 nan 0.000 0.455 382 V N 4.281 124.251 119.914 0.093 0.000 3.078 382 V HA 0.794 4.914 4.120 0.000 0.000 0.311 382 V C -0.588 175.388 176.094 -0.197 0.000 1.138 382 V CA -0.834 61.444 62.300 -0.037 0.000 1.007 382 V CB 2.369 34.166 31.823 -0.044 0.000 1.045 382 V HN 0.775 nan 8.190 nan 0.000 0.432 383 R N 0.360 120.530 120.500 -0.550 0.000 2.687 383 R HA 0.625 4.965 4.340 0.000 0.000 0.265 383 R C -0.624 175.335 176.300 -0.569 0.000 1.048 383 R CA 0.271 56.056 56.100 -0.525 0.000 0.884 383 R CB 1.654 31.683 30.300 -0.452 0.000 1.258 383 R HN 1.210 nan 8.270 nan 0.000 0.469 384 G N 1.548 110.185 108.800 -0.273 0.000 2.332 384 G HA2 0.545 4.505 3.960 0.000 0.000 0.310 384 G HA3 0.545 4.505 3.960 0.000 0.000 0.310 384 G C -0.586 174.259 174.900 -0.092 0.000 1.123 384 G CA 0.131 45.132 45.100 -0.166 0.000 0.873 384 G HN 0.688 nan 8.290 nan 0.000 0.460 385 V N -0.232 119.661 119.914 -0.036 0.000 3.105 385 V HA 0.985 5.105 4.120 0.000 0.000 0.311 385 V C -0.307 175.809 176.094 0.037 0.000 1.282 385 V CA -0.897 61.427 62.300 0.041 0.000 1.065 385 V CB 1.785 33.686 31.823 0.131 0.000 1.136 385 V HN 0.905 nan 8.190 nan 0.000 0.469 386 T N 0.129 114.714 114.554 0.051 0.000 3.348 386 T HA 0.398 4.748 4.350 0.000 0.000 0.328 386 T C -0.581 174.146 174.700 0.046 0.000 0.913 386 T CA -0.841 61.284 62.100 0.041 0.000 1.043 386 T CB 0.559 69.447 68.868 0.034 0.000 1.021 386 T HN 1.166 nan 8.240 nan 0.000 0.461 387 K N 1.201 121.627 120.400 0.044 0.000 2.542 387 K HA 0.327 4.647 4.320 0.000 0.000 0.276 387 K C 1.359 177.972 176.600 0.022 0.000 0.963 387 K CA 0.536 56.844 56.287 0.035 0.000 0.975 387 K CB -0.371 32.148 32.500 0.030 0.000 0.901 387 K HN 1.119 nan 8.250 nan 0.000 0.506 388 G N 0.015 108.821 108.800 0.009 0.000 2.175 388 G HA2 -0.348 3.612 3.960 0.000 0.000 0.265 388 G HA3 -0.348 3.612 3.960 0.000 0.000 0.265 388 G C 0.168 175.088 174.900 0.033 0.000 0.979 388 G CA 0.821 45.916 45.100 -0.009 0.000 0.663 388 G HN 0.912 nan 8.290 nan 0.000 0.533 389 S N -1.188 114.543 115.700 0.050 0.000 2.837 389 S HA 0.803 5.273 4.470 0.000 0.000 0.314 389 S C 1.177 175.819 174.600 0.070 0.000 1.098 389 S CA 0.668 58.906 58.200 0.064 0.000 0.903 389 S CB 0.884 64.115 63.200 0.052 0.000 1.310 389 S HN 1.634 nan 8.310 nan 0.000 0.581 390 G N 0.336 109.175 108.800 0.065 0.000 2.720 390 G HA2 0.362 4.322 3.960 0.000 0.000 0.237 390 G HA3 0.362 4.322 3.960 0.000 0.000 0.237 390 G C -0.229 174.705 174.900 0.058 0.000 1.239 390 G CA -0.173 44.963 45.100 0.060 0.000 0.847 390 G HN 0.701 nan 8.290 nan 0.000 0.593 391 V N 0.124 120.069 119.914 0.052 0.000 3.036 391 V HA 0.492 4.612 4.120 0.000 0.000 0.308 391 V C 0.823 176.963 176.094 0.076 0.000 1.070 391 V CA -0.115 62.220 62.300 0.060 0.000 1.056 391 V CB 1.589 33.435 31.823 0.038 0.000 1.084 391 V HN 0.993 nan 8.190 nan 0.000 0.471 392 S N 3.123 118.893 115.700 0.116 0.000 2.433 392 S HA 0.607 5.077 4.470 0.000 0.000 0.310 392 S C -0.773 173.908 174.600 0.135 0.000 1.097 392 S CA -0.661 57.620 58.200 0.135 0.000 1.103 392 S CB 0.553 63.884 63.200 0.219 0.000 0.992 392 S HN 0.384 nan 8.310 nan 0.000 0.469 393 I N 3.462 124.086 120.570 0.090 0.000 2.577 393 I HA 0.410 4.580 4.170 0.000 0.000 0.300 393 I C 0.487 176.654 176.117 0.084 0.000 0.990 393 I CA -0.601 60.743 61.300 0.073 0.000 1.283 393 I CB 1.225 39.248 38.000 0.040 0.000 1.411 393 I HN 0.846 nan 8.210 nan 0.000 0.515 394 T N 2.496 117.094 114.554 0.073 0.000 3.839 394 T HA 0.209 4.559 4.350 0.000 0.000 0.230 394 T C -2.537 172.188 174.700 0.040 0.000 1.095 394 T CA -1.073 61.070 62.100 0.071 0.000 1.470 394 T CB 0.094 69.027 68.868 0.108 0.000 0.881 394 T HN 0.324 nan 8.240 nan 0.000 0.637 395 P HA -0.106 nan 4.420 nan 0.000 0.191 395 P C 0.095 177.402 177.300 0.011 0.000 0.906 395 P CA 0.459 63.568 63.100 0.014 0.000 1.011 395 P CB -0.127 31.583 31.700 0.017 0.000 1.090 396 V N 4.015 123.929 119.914 -0.000 0.000 3.211 396 V HA 0.549 4.669 4.120 0.000 0.000 0.319 396 V C 0.603 176.684 176.094 -0.022 0.000 1.096 396 V CA 0.020 62.313 62.300 -0.012 0.000 1.029 396 V CB 2.228 34.040 31.823 -0.018 0.000 1.137 396 V HN 0.410 nan 8.190 nan 0.000 0.453 397 T N 1.106 115.634 114.554 -0.044 0.000 2.991 397 T HA 0.552 4.902 4.350 0.000 0.000 0.303 397 T C -1.079 173.551 174.700 -0.117 0.000 1.015 397 T CA -0.406 61.653 62.100 -0.068 0.000 1.007 397 T CB 1.519 70.331 68.868 -0.093 0.000 1.034 397 T HN 0.337 nan 8.240 nan 0.000 0.446 398 V N 1.956 121.823 119.914 -0.079 0.000 2.409 398 V HA 0.637 4.757 4.120 0.000 0.000 0.291 398 V C 1.026 177.097 176.094 -0.038 0.000 1.020 398 V CA -0.957 61.303 62.300 -0.067 0.000 0.848 398 V CB 1.743 33.566 31.823 0.001 0.000 0.990 398 V HN 1.120 nan 8.190 nan 0.000 0.430 399 G N 5.430 114.171 108.800 -0.099 0.000 2.789 399 G HA2 0.407 4.367 3.960 0.000 0.000 0.281 399 G HA3 0.407 4.367 3.960 0.000 0.000 0.281 399 G C -0.353 174.649 174.900 0.171 0.000 0.708 399 G CA 0.288 45.457 45.100 0.115 0.000 2.067 399 G HN 0.683 nan 8.290 nan 0.000 0.554 400 I N 0.462 121.141 120.570 0.182 0.000 2.680 400 I HA 0.220 4.390 4.170 0.000 0.000 0.291 400 I C -1.345 174.857 176.117 0.142 0.000 1.244 400 I CA -1.049 60.337 61.300 0.144 0.000 1.042 400 I CB 2.161 40.237 38.000 0.128 0.000 1.277 400 I HN 0.044 nan 8.210 nan 0.000 0.423 401 D N 4.817 125.288 120.400 0.117 0.000 2.488 401 D HA 0.173 4.813 4.640 0.000 0.000 0.238 401 D C -0.476 175.889 176.300 0.107 0.000 1.138 401 D CA 0.904 54.962 54.000 0.098 0.000 0.873 401 D CB 0.987 41.831 40.800 0.073 0.000 1.183 401 D HN 0.380 nan 8.370 nan 0.000 0.458 402 T N 2.442 117.055 114.554 0.097 0.000 2.893 402 T HA 0.186 4.536 4.350 0.000 0.000 0.324 402 T C -0.262 174.494 174.700 0.093 0.000 1.082 402 T CA -0.871 61.292 62.100 0.104 0.000 0.983 402 T CB 0.329 69.247 68.868 0.084 0.000 1.005 402 T HN 0.276 nan 8.240 nan 0.000 0.475 403 E N 2.126 122.392 120.200 0.110 0.000 2.502 403 E HA 0.374 4.724 4.350 0.000 0.000 0.261 403 E C 0.034 176.690 176.600 0.093 0.000 0.974 403 E CA -0.564 55.893 56.400 0.096 0.000 0.936 403 E CB 0.521 30.287 29.700 0.110 0.000 0.926 403 E HN 0.523 nan 8.360 nan 0.000 0.459 404 A N 3.111 125.974 122.820 0.072 0.000 2.327 404 A HA 0.522 4.842 4.320 0.000 0.000 0.283 404 A C -0.500 177.133 177.584 0.083 0.000 1.127 404 A CA -0.646 51.429 52.037 0.065 0.000 0.810 404 A CB 0.984 20.011 19.000 0.046 0.000 1.066 404 A HN 0.424 nan 8.150 nan 0.000 0.492 405 V N 3.050 123.017 119.914 0.087 0.000 2.891 405 V HA 0.235 4.355 4.120 0.000 0.000 0.304 405 V C -0.955 175.193 176.094 0.091 0.000 1.171 405 V CA -1.281 61.091 62.300 0.120 0.000 0.943 405 V CB 2.206 34.129 31.823 0.166 0.000 1.037 405 V HN 0.970 nan 8.190 nan 0.000 0.427 406 N N 2.206 120.966 118.700 0.100 0.000 2.503 406 N HA 0.478 5.218 4.740 0.000 0.000 0.267 406 N C -0.278 175.249 175.510 0.029 0.000 1.214 406 N CA -0.548 52.534 53.050 0.052 0.000 0.959 406 N CB 0.870 39.384 38.487 0.046 0.000 1.142 406 N HN 0.561 nan 8.380 nan 0.000 0.455 407 R N 0.567 121.058 120.500 -0.014 0.000 2.532 407 R HA 0.459 4.799 4.340 0.000 0.000 0.295 407 R C -0.871 175.371 176.300 -0.096 0.000 0.968 407 R CA -0.465 55.606 56.100 -0.049 0.000 0.916 407 R CB 0.614 30.883 30.300 -0.051 0.000 1.124 407 R HN 0.502 nan 8.270 nan 0.000 0.463 408 L N 2.743 123.872 121.223 -0.157 0.000 2.264 408 L HA 0.355 4.695 4.340 0.000 0.000 0.287 408 L C -0.025 176.618 176.870 -0.379 0.000 1.039 408 L CA -0.533 54.136 54.840 -0.285 0.000 0.829 408 L CB 1.703 43.507 42.059 -0.425 0.000 1.211 408 L HN 0.592 nan 8.230 nan 0.000 0.427 409 S N 5.311 120.858 115.700 -0.255 0.000 2.498 409 S HA 0.416 4.886 4.470 0.000 0.000 0.314 409 S C -0.155 174.314 174.600 -0.219 0.000 1.141 409 S CA -0.385 57.726 58.200 -0.148 0.000 1.087 409 S CB -0.527 62.663 63.200 -0.016 0.000 1.178 409 S HN 0.383 nan 8.310 nan 0.000 0.533 410 I N 4.057 124.311 120.570 -0.527 0.000 2.389 410 I HA 0.302 4.472 4.170 0.000 0.000 0.288 410 I C 0.332 176.007 176.117 -0.738 0.000 0.999 410 I CA -0.679 60.216 61.300 -0.677 0.000 1.129 410 I CB 1.671 39.039 38.000 -1.053 0.000 1.288 410 I HN 0.517 nan 8.210 nan 0.000 0.444 411 E N 6.605 126.378 120.200 -0.712 0.000 2.292 411 E HA 0.045 4.395 4.350 0.000 0.000 0.265 411 E C -0.142 176.451 176.600 -0.012 0.000 1.093 411 E CA -0.667 55.351 56.400 -0.636 0.000 0.922 411 E CB 0.593 30.233 29.700 -0.099 0.000 1.001 411 E HN 0.371 nan 8.360 nan 0.000 0.444 412 M N 7.507 127.179 119.600 0.120 0.000 2.327 412 M HA 0.065 4.545 4.480 0.000 0.000 0.353 412 M C -2.101 174.348 176.300 0.248 0.000 1.539 412 M CA -2.158 53.264 55.300 0.204 0.000 1.039 412 M CB 0.158 32.663 32.600 -0.159 0.000 1.967 412 M HN 0.435 nan 8.290 nan 0.000 0.459 413 P HA 0.030 nan 4.420 nan 0.000 0.267 413 P C -0.827 176.641 177.300 0.280 0.000 1.200 413 P CA -0.246 63.022 63.100 0.279 0.000 0.772 413 P CB 0.120 31.969 31.700 0.247 0.000 0.855 414 A N 3.510 126.521 122.820 0.318 0.000 2.567 414 A HA -0.064 4.256 4.320 0.000 0.000 0.263 414 A C 1.260 179.024 177.584 0.300 0.000 1.030 414 A CA 0.447 52.684 52.037 0.334 0.000 0.833 414 A CB -1.169 17.941 19.000 0.183 0.000 0.924 414 A HN 0.568 nan 8.150 nan 0.000 0.518 415 L N 2.575 123.941 121.223 0.240 0.000 2.616 415 L HA 0.072 4.412 4.340 0.000 0.000 0.229 415 L C 0.882 177.864 176.870 0.188 0.000 1.110 415 L CA 0.011 54.870 54.840 0.031 0.000 0.884 415 L CB -0.186 41.701 42.059 -0.287 0.000 1.115 415 L HN 0.600 nan 8.230 nan 0.000 0.481 416 T N 0.569 115.302 114.554 0.298 0.000 2.817 416 T HA 0.007 4.357 4.350 0.000 0.000 0.295 416 T C 1.427 176.288 174.700 0.268 0.000 0.958 416 T CA 0.164 62.408 62.100 0.241 0.000 1.157 416 T CB 1.178 70.152 68.868 0.176 0.000 0.898 416 T HN 0.231 nan 8.240 nan 0.000 0.536 417 T N 3.101 117.818 114.554 0.272 0.000 2.731 417 T HA -0.216 4.134 4.350 0.000 0.000 0.263 417 T C 1.276 176.025 174.700 0.081 0.000 1.033 417 T CA 1.596 63.846 62.100 0.250 0.000 1.160 417 T CB -0.070 68.916 68.868 0.198 0.000 0.849 417 T HN 0.654 nan 8.240 nan 0.000 0.469 418 E N -0.648 119.575 120.200 0.037 0.000 2.714 418 E HA 0.235 4.585 4.350 0.000 0.000 0.219 418 E C 1.429 177.986 176.600 -0.070 0.000 0.979 418 E CA -0.086 56.282 56.400 -0.053 0.000 1.092 418 E CB 0.392 30.059 29.700 -0.055 0.000 1.049 418 E HN 0.556 nan 8.360 nan 0.000 0.487 419 E N 1.080 121.271 120.200 -0.015 0.000 2.033 419 E HA -0.120 4.230 4.350 0.000 0.000 0.189 419 E C 2.107 178.658 176.600 -0.081 0.000 0.979 419 E CA 1.492 57.882 56.400 -0.016 0.000 0.802 419 E CB 0.236 29.974 29.700 0.063 0.000 0.763 419 E HN 0.083 nan 8.360 nan 0.000 0.449 420 V N 0.331 120.185 119.914 -0.101 0.000 2.250 420 V HA -0.361 3.759 4.120 0.000 0.000 0.253 420 V C 2.608 178.482 176.094 -0.366 0.000 1.065 420 V CA 2.562 64.747 62.300 -0.193 0.000 1.039 420 V CB -2.369 29.276 31.823 -0.297 0.000 0.647 420 V HN 0.504 nan 8.190 nan 0.000 0.446 421 T N -2.604 111.645 114.554 -0.509 0.000 2.848 421 T HA -0.259 4.091 4.350 0.000 0.000 0.269 421 T C 1.594 176.017 174.700 -0.460 0.000 1.081 421 T CA 2.571 64.198 62.100 -0.787 0.000 1.125 421 T CB -0.904 67.674 68.868 -0.483 0.000 0.848 421 T HN 0.644 nan 8.240 nan 0.000 0.503 422 T N 1.442 115.847 114.554 -0.248 0.000 3.053 422 T HA 0.142 4.492 4.350 0.000 0.000 0.236 422 T C 1.698 176.352 174.700 -0.077 0.000 0.996 422 T CA 0.797 62.820 62.100 -0.128 0.000 1.185 422 T CB -0.353 68.463 68.868 -0.087 0.000 0.892 422 T HN 0.541 nan 8.240 nan 0.000 0.432 423 N N 0.763 119.425 118.700 -0.063 0.000 2.571 423 N HA 0.088 4.828 4.740 0.000 0.000 0.189 423 N C -0.498 175.011 175.510 -0.002 0.000 1.154 423 N CA 0.126 53.164 53.050 -0.021 0.000 0.907 423 N CB 0.306 38.791 38.487 -0.004 0.000 0.977 423 N HN 0.138 nan 8.380 nan 0.000 0.449 424 V N 1.570 121.470 119.914 -0.024 0.000 2.482 424 V HA 0.226 4.346 4.120 0.000 0.000 0.295 424 V C -1.622 174.547 176.094 0.125 0.000 1.026 424 V CA -1.153 61.170 62.300 0.038 0.000 0.856 424 V CB 2.568 34.410 31.823 0.032 0.000 1.001 424 V HN -0.021 nan 8.190 nan 0.000 0.424 425 P HA 0.065 nan 4.420 nan 0.000 0.226 425 P C 0.773 178.147 177.300 0.123 0.000 1.160 425 P CA 0.335 63.523 63.100 0.148 0.000 0.837 425 P CB 0.588 32.330 31.700 0.069 0.000 0.860 426 K N 0.791 121.251 120.400 0.100 0.000 2.706 426 K HA 0.062 4.382 4.320 0.000 0.000 0.217 426 K C 0.418 177.041 176.600 0.038 0.000 1.019 426 K CA -0.356 55.955 56.287 0.040 0.000 1.181 426 K CB -1.298 31.240 32.500 0.062 0.000 0.940 426 K HN 0.401 nan 8.250 nan 0.000 0.491 427 Y N -1.150 119.101 120.300 -0.082 0.000 2.320 427 Y HA 0.479 5.029 4.550 0.000 0.000 0.324 427 Y C -0.031 175.765 175.900 -0.173 0.000 1.190 427 Y CA -0.964 57.065 58.100 -0.119 0.000 1.215 427 Y CB 0.949 39.336 38.460 -0.122 0.000 1.221 427 Y HN -0.093 nan 8.280 nan 0.000 0.486 428 E N 1.469 121.469 120.200 -0.332 0.000 2.316 428 E HA 0.455 4.805 4.350 0.000 0.000 0.258 428 E C -1.433 174.810 176.600 -0.595 0.000 0.952 428 E CA -1.365 54.679 56.400 -0.593 0.000 0.818 428 E CB 1.812 31.329 29.700 -0.305 0.000 1.260 428 E HN 0.575 nan 8.360 nan 0.000 0.416 429 Q N 1.320 120.441 119.800 -1.133 0.000 2.616 429 Q HA 0.235 4.575 4.340 0.000 0.000 0.254 429 Q C -2.219 172.891 176.000 -1.483 0.000 0.975 429 Q CA -0.198 54.913 55.803 -1.153 0.000 0.976 429 Q CB 0.592 29.075 28.738 -0.425 0.000 1.594 429 Q HN 0.510 nan 8.270 nan 0.000 0.425 430 F N 0.945 120.312 119.950 -0.971 0.000 2.754 430 F HA 0.595 5.122 4.527 0.000 0.000 0.320 430 F C -0.431 175.078 175.800 -0.485 0.000 1.156 430 F CA -0.965 56.706 58.000 -0.548 0.000 0.950 430 F CB 0.550 39.326 39.000 -0.374 0.000 1.388 430 F HN 0.315 nan 8.300 nan 0.000 0.485 431 L N 0.583 121.826 121.223 0.034 0.000 2.436 431 L HA 0.284 4.625 4.340 0.000 0.000 0.265 431 L C 0.831 177.720 176.870 0.033 0.000 1.168 431 L CA -0.173 54.712 54.840 0.074 0.000 0.815 431 L CB 0.504 42.618 42.059 0.091 0.000 1.109 431 L HN 0.811 nan 8.230 nan 0.000 0.462 432 C N -0.350 118.911 119.300 -0.065 0.000 2.425 432 C HA -0.134 4.326 4.460 0.000 0.000 0.277 432 C C 2.676 177.456 174.990 -0.351 0.000 1.280 432 C CA 0.515 59.307 59.018 -0.377 0.000 1.744 432 C CB -0.847 25.927 27.740 -1.610 0.000 1.989 432 C HN 1.009 nan 8.230 nan 0.000 0.491 433 K N 1.071 121.368 120.400 -0.173 0.000 2.015 433 K HA -0.221 4.099 4.320 0.000 0.000 0.216 433 K C 1.974 178.670 176.600 0.161 0.000 1.052 433 K CA 1.871 58.260 56.287 0.170 0.000 0.937 433 K CB -0.109 32.490 32.500 0.165 0.000 0.719 433 K HN 0.393 nan 8.250 nan 0.000 0.446 434 E N 1.045 121.303 120.200 0.097 0.000 1.987 434 E HA -0.102 4.248 4.350 0.000 0.000 0.200 434 E C 0.856 177.492 176.600 0.059 0.000 0.990 434 E CA 1.169 57.605 56.400 0.060 0.000 0.859 434 E CB -0.885 28.832 29.700 0.029 0.000 0.805 434 E HN 0.414 nan 8.360 nan 0.000 0.499 435 S N 1.106 116.826 115.700 0.033 0.000 2.560 435 S HA 0.156 4.626 4.470 0.000 0.000 0.323 435 S C 1.137 175.901 174.600 0.274 0.000 1.191 435 S CA 0.092 58.346 58.200 0.090 0.000 1.231 435 S CB 0.050 63.376 63.200 0.210 0.000 1.224 435 S HN 0.363 nan 8.310 nan 0.000 0.545 436 G N 2.421 111.348 108.800 0.210 0.000 2.818 436 G HA2 0.383 4.343 3.960 0.000 0.000 0.203 436 G HA3 0.383 4.343 3.960 0.000 0.000 0.203 436 G C 0.822 175.931 174.900 0.349 0.000 1.172 436 G CA 0.001 45.277 45.100 0.294 0.000 0.828 436 G HN 1.505 nan 8.290 nan 0.000 0.526 437 G N -2.153 106.863 108.800 0.360 0.000 2.320 437 G HA2 0.565 4.525 3.960 0.000 0.000 0.274 437 G HA3 0.565 4.525 3.960 0.000 0.000 0.274 437 G C -1.086 173.784 174.900 -0.050 0.000 1.324 437 G CA -0.260 44.992 45.100 0.253 0.000 0.957 437 G HN 1.191 nan 8.290 nan 0.000 0.481 438 A N -1.051 121.537 122.820 -0.386 0.000 2.365 438 A HA 0.774 5.094 4.320 0.000 0.000 0.318 438 A C -1.543 176.003 177.584 -0.063 0.000 1.091 438 A CA -0.484 51.067 52.037 -0.809 0.000 0.763 438 A CB 1.747 19.512 19.000 -2.058 0.000 1.248 438 A HN 1.827 nan 8.150 nan 0.000 0.442 439 Y N 1.805 122.069 120.300 -0.061 0.000 2.341 439 Y HA 0.700 5.250 4.550 0.000 0.000 0.338 439 Y C -0.875 175.109 175.900 0.140 0.000 0.965 439 Y CA -1.271 56.891 58.100 0.103 0.000 1.108 439 Y CB 1.172 39.740 38.460 0.179 0.000 1.180 439 Y HN 0.598 nan 8.280 nan 0.000 0.458 440 I N 6.249 126.653 120.570 -0.276 0.000 2.498 440 I HA 0.475 4.645 4.170 0.000 0.000 0.290 440 I C -1.450 174.437 176.117 -0.383 0.000 1.032 440 I CA -0.926 60.188 61.300 -0.309 0.000 1.073 440 I CB 1.741 39.550 38.000 -0.318 0.000 1.251 440 I HN 0.354 nan 8.210 nan 0.000 0.426 441 V N 6.679 126.538 119.914 -0.092 0.000 2.376 441 V HA 0.382 4.502 4.120 0.000 0.000 0.287 441 V C -0.019 176.040 176.094 -0.058 0.000 1.015 441 V CA -0.725 61.529 62.300 -0.076 0.000 0.834 441 V CB 1.168 32.984 31.823 -0.011 0.000 1.001 441 V HN 0.593 nan 8.190 nan 0.000 0.428 442 H N 4.059 123.182 119.070 0.088 0.000 2.597 442 H HA 0.478 5.034 4.556 0.000 0.000 0.370 442 H C -0.551 174.521 175.328 -0.426 0.000 1.281 442 H CA 0.234 56.147 56.048 -0.225 0.000 1.422 442 H CB 1.403 31.270 29.762 0.174 0.000 1.524 442 H HN 0.734 nan 8.280 nan 0.000 0.607 443 Y N -1.857 117.934 120.300 -0.848 0.000 2.624 443 Y HA 0.180 4.730 4.550 0.000 0.000 0.334 443 Y C -0.534 174.745 175.900 -1.036 0.000 1.155 443 Y CA -1.411 56.150 58.100 -0.898 0.000 1.046 443 Y CB 1.001 39.235 38.460 -0.376 0.000 1.316 443 Y HN 0.361 nan 8.280 nan 0.000 0.457 444 K N 3.471 123.628 120.400 -0.405 0.000 2.046 444 K HA -0.045 4.275 4.320 0.000 0.000 0.248 444 K C -0.109 176.422 176.600 -0.116 0.000 1.123 444 K CA 0.470 56.683 56.287 -0.123 0.000 1.145 444 K CB 0.020 32.525 32.500 0.009 0.000 1.028 444 K HN 1.075 nan 8.250 nan 0.000 0.354 445 M N 4.415 123.717 119.600 -0.497 0.000 2.276 445 M HA -0.049 4.431 4.480 0.000 0.000 0.262 445 M C 0.917 177.153 176.300 -0.107 0.000 1.098 445 M CA 1.320 56.275 55.300 -0.575 0.000 1.167 445 M CB -0.012 32.181 32.600 -0.677 0.000 1.337 445 M HN 0.497 nan 8.290 nan 0.000 0.446 446 N N 0.331 119.011 118.700 -0.033 0.000 2.173 446 N HA -0.041 4.699 4.740 0.000 0.000 0.184 446 N C 0.257 175.809 175.510 0.071 0.000 1.025 446 N CA 0.786 53.856 53.050 0.033 0.000 0.852 446 N CB -0.874 37.640 38.487 0.045 0.000 0.998 446 N HN 0.384 nan 8.380 nan 0.000 0.427 447 N N 0.688 119.445 118.700 0.095 0.000 2.473 447 N HA 0.217 4.957 4.740 0.000 0.000 0.291 447 N C -2.004 173.614 175.510 0.179 0.000 1.083 447 N CA -1.724 51.400 53.050 0.122 0.000 0.951 447 N CB 2.226 40.788 38.487 0.124 0.000 1.164 447 N HN -0.204 nan 8.380 nan 0.000 0.480 448 P HA -0.086 nan 4.420 nan 0.000 0.217 448 P C -0.448 177.019 177.300 0.277 0.000 1.150 448 P CA 0.863 64.087 63.100 0.206 0.000 0.832 448 P CB 0.332 32.120 31.700 0.148 0.000 0.787 449 V N -1.850 118.223 119.914 0.264 0.000 3.177 449 V HA 0.286 4.406 4.120 0.000 0.000 0.319 449 V C 0.100 176.499 176.094 0.508 0.000 1.125 449 V CA -1.004 61.498 62.300 0.336 0.000 1.029 449 V CB 1.006 32.933 31.823 0.174 0.000 1.119 449 V HN -0.160 nan 8.190 nan 0.000 0.452 450 F N 1.102 121.101 119.950 0.081 0.000 2.567 450 F HA 0.298 4.825 4.527 0.000 0.000 0.352 450 F C 1.136 176.966 175.800 0.049 0.000 1.229 450 F CA -0.313 57.737 58.000 0.084 0.000 1.228 450 F CB -0.013 39.018 39.000 0.053 0.000 1.568 450 F HN 0.614 nan 8.300 nan 0.000 0.634 451 E N 1.790 122.105 120.200 0.190 0.000 2.718 451 E HA 0.127 4.477 4.350 0.000 0.000 0.263 451 E C 0.362 177.001 176.600 0.065 0.000 1.434 451 E CA -0.183 56.275 56.400 0.097 0.000 1.106 451 E CB 0.474 30.207 29.700 0.056 0.000 1.029 451 E HN 0.382 nan 8.360 nan 0.000 0.631 452 M N 1.632 121.234 119.600 0.004 0.000 2.634 452 M HA 0.128 4.608 4.480 0.000 0.000 0.211 452 M C -0.882 175.327 176.300 -0.152 0.000 1.019 452 M CA -0.147 55.127 55.300 -0.044 0.000 0.834 452 M CB 0.458 33.035 32.600 -0.038 0.000 1.376 452 M HN 0.317 nan 8.290 nan 0.000 0.465 453 T N 1.936 116.363 114.554 -0.212 0.000 2.656 453 T HA 0.135 4.485 4.350 0.000 0.000 0.263 453 T C 0.826 175.206 174.700 -0.532 0.000 1.017 453 T CA 0.775 62.675 62.100 -0.333 0.000 1.216 453 T CB 0.063 68.704 68.868 -0.378 0.000 0.989 453 T HN 0.754 nan 8.240 nan 0.000 0.507 454 G N 1.958 110.573 108.800 -0.308 0.000 3.075 454 G HA2 0.397 4.357 3.960 0.000 0.000 0.253 454 G HA3 0.397 4.357 3.960 0.000 0.000 0.253 454 G C 0.672 175.469 174.900 -0.171 0.000 1.353 454 G CA -0.564 44.374 45.100 -0.269 0.000 1.051 454 G HN 0.651 nan 8.290 nan 0.000 0.553 455 E N -0.388 119.737 120.200 -0.124 0.000 2.301 455 E HA -0.253 4.097 4.350 0.000 0.000 0.202 455 E C 1.896 178.504 176.600 0.013 0.000 1.017 455 E CA 2.000 58.358 56.400 -0.070 0.000 0.831 455 E CB -0.019 29.599 29.700 -0.136 0.000 0.742 455 E HN 0.541 nan 8.360 nan 0.000 0.491 456 E N 1.430 121.617 120.200 -0.021 0.000 2.045 456 E HA -0.244 4.106 4.350 0.000 0.000 0.212 456 E C 0.643 177.263 176.600 0.033 0.000 1.039 456 E CA 1.835 58.232 56.400 -0.005 0.000 0.860 456 E CB -0.457 29.224 29.700 -0.031 0.000 0.776 456 E HN 0.452 nan 8.360 nan 0.000 0.467 457 N N 0.695 119.410 118.700 0.025 0.000 2.645 457 N HA 0.225 4.965 4.740 0.000 0.000 0.233 457 N C -1.216 174.392 175.510 0.163 0.000 1.058 457 N CA -0.290 52.782 53.050 0.035 0.000 0.942 457 N CB 0.080 38.540 38.487 -0.046 0.000 1.210 457 N HN 0.140 nan 8.380 nan 0.000 0.512 458 F N 0.908 120.880 119.950 0.036 0.000 2.613 458 F HA 0.820 5.347 4.527 0.000 0.000 0.310 458 F C 0.201 176.066 175.800 0.108 0.000 1.085 458 F CA 0.218 58.284 58.000 0.110 0.000 0.945 458 F CB 1.780 40.822 39.000 0.071 0.000 1.298 458 F HN 0.683 nan 8.300 nan 0.000 0.455 459 G N 1.718 110.092 108.800 -0.711 0.000 2.320 459 G HA2 0.342 4.302 3.960 0.000 0.000 0.274 459 G HA3 0.342 4.302 3.960 0.000 0.000 0.274 459 G C -0.862 173.911 174.900 -0.212 0.000 1.324 459 G CA -0.436 44.477 45.100 -0.313 0.000 0.957 459 G HN 1.243 nan 8.290 nan 0.000 0.481 460 G N 0.051 108.801 108.800 -0.082 0.000 2.444 460 G HA2 0.519 4.479 3.960 0.000 0.000 0.303 460 G HA3 0.519 4.479 3.960 0.000 0.000 0.303 460 G C 0.170 175.069 174.900 -0.001 0.000 1.032 460 G CA -0.363 44.695 45.100 -0.071 0.000 1.137 460 G HN 0.567 nan 8.290 nan 0.000 0.430 461 F N 1.053 120.776 119.950 -0.379 0.000 2.602 461 F HA 0.080 4.607 4.527 0.000 0.000 0.385 461 F C 1.196 176.686 175.800 -0.516 0.000 1.063 461 F CA 0.104 57.778 58.000 -0.544 0.000 1.233 461 F CB 0.802 39.497 39.000 -0.509 0.000 1.067 461 F HN 0.217 nan 8.300 nan 0.000 0.564 462 Q N 4.905 124.389 119.800 -0.526 0.000 2.444 462 Q HA 0.252 4.592 4.340 0.000 0.000 0.251 462 Q C -1.455 174.258 176.000 -0.478 0.000 0.939 462 Q CA -0.622 54.982 55.803 -0.331 0.000 0.740 462 Q CB 1.162 29.809 28.738 -0.152 0.000 1.308 462 Q HN 0.479 nan 8.270 nan 0.000 0.461 463 F N 4.175 124.017 119.950 -0.180 0.000 2.438 463 F HA 0.240 4.767 4.527 0.000 0.000 0.356 463 F C 1.092 176.792 175.800 -0.166 0.000 1.099 463 F CA -0.322 57.529 58.000 -0.248 0.000 1.185 463 F CB 0.418 39.248 39.000 -0.283 0.000 1.115 463 F HN 0.391 nan 8.300 nan 0.000 0.526 464 H N 1.237 120.374 119.070 0.110 0.000 2.651 464 H HA 0.657 5.213 4.556 0.000 0.000 0.353 464 H C -1.688 173.830 175.328 0.316 0.000 1.178 464 H CA -0.884 55.300 56.048 0.227 0.000 1.224 464 H CB 2.202 32.064 29.762 0.168 0.000 1.702 464 H HN 0.639 nan 8.280 nan 0.000 0.550 465 Y N -0.158 120.347 120.300 0.340 0.000 2.750 465 Y HA 0.251 4.801 4.550 0.000 0.000 0.335 465 Y C -2.740 173.303 175.900 0.238 0.000 1.252 465 Y CA -2.005 56.226 58.100 0.218 0.000 1.064 465 Y CB 1.683 40.201 38.460 0.097 0.000 1.321 465 Y HN 0.578 nan 8.280 nan 0.000 0.451 466 P HA 0.284 nan 4.420 nan 0.000 0.276 466 P C 0.390 177.729 177.300 0.065 0.000 1.252 466 P CA 1.111 64.164 63.100 -0.079 0.000 0.802 466 P CB 1.111 32.662 31.700 -0.249 0.000 1.035 467 G N 0.267 109.103 108.800 0.060 0.000 2.343 467 G HA2 -0.324 3.636 3.960 0.000 0.000 0.264 467 G HA3 -0.324 3.636 3.960 0.000 0.000 0.264 467 G C 0.063 175.057 174.900 0.157 0.000 0.989 467 G CA 0.671 45.825 45.100 0.090 0.000 0.627 467 G HN 0.679 nan 8.290 nan 0.000 0.549 468 Y N 2.471 122.830 120.300 0.099 0.000 2.402 468 Y HA 0.535 5.085 4.550 0.000 0.000 0.333 468 Y C 0.026 175.965 175.900 0.065 0.000 1.076 468 Y CA -1.306 56.856 58.100 0.104 0.000 1.299 468 Y CB 0.939 39.499 38.460 0.166 0.000 1.197 468 Y HN 0.128 nan 8.280 nan 0.000 0.517 469 D N 8.614 128.555 120.400 -0.766 0.000 2.274 469 D HA 0.213 4.853 4.640 0.000 0.000 0.239 469 D C -1.973 173.653 176.300 -1.123 0.000 1.104 469 D CA -2.369 51.215 54.000 -0.692 0.000 0.840 469 D CB 2.067 42.671 40.800 -0.327 0.000 1.100 469 D HN 0.392 nan 8.370 nan 0.000 0.477 470 P HA -0.086 nan 4.420 nan 0.000 0.227 470 P C 0.911 178.104 177.300 -0.180 0.000 1.161 470 P CA 0.604 63.496 63.100 -0.346 0.000 0.788 470 P CB 0.200 31.814 31.700 -0.143 0.000 0.822 471 E N 1.563 121.656 120.200 -0.179 0.000 2.219 471 E HA -0.230 4.120 4.350 0.000 0.000 0.198 471 E C 0.869 177.430 176.600 -0.066 0.000 0.998 471 E CA 1.529 57.871 56.400 -0.097 0.000 0.818 471 E CB -1.383 28.265 29.700 -0.088 0.000 0.741 471 E HN 0.343 nan 8.360 nan 0.000 0.477 472 N N 0.483 119.132 118.700 -0.085 0.000 2.434 472 N HA 0.037 4.777 4.740 0.000 0.000 0.196 472 N C -0.589 174.954 175.510 0.055 0.000 1.183 472 N CA -0.091 52.958 53.050 -0.002 0.000 0.849 472 N CB 0.124 38.631 38.487 0.034 0.000 0.992 472 N HN 0.050 nan 8.380 nan 0.000 0.460 473 N N 1.214 119.938 118.700 0.039 0.000 2.434 473 N HA 0.326 5.066 4.740 0.000 0.000 0.272 473 N C -0.506 175.013 175.510 0.015 0.000 1.040 473 N CA -0.308 52.779 53.050 0.061 0.000 0.956 473 N CB 1.020 39.555 38.487 0.080 0.000 1.108 473 N HN 0.168 nan 8.380 nan 0.000 0.481 474 A N 3.004 125.826 122.820 0.003 0.000 2.445 474 A HA 0.173 4.493 4.320 0.000 0.000 0.242 474 A C 1.454 179.018 177.584 -0.034 0.000 1.075 474 A CA -0.188 51.837 52.037 -0.020 0.000 0.777 474 A CB 0.157 19.137 19.000 -0.033 0.000 1.013 474 A HN 0.783 nan 8.150 nan 0.000 0.493 475 L N 2.437 123.632 121.223 -0.045 0.000 1.842 475 L HA 0.022 4.362 4.340 0.000 0.000 0.229 475 L C 2.169 178.990 176.870 -0.082 0.000 1.096 475 L CA 1.007 55.813 54.840 -0.056 0.000 0.859 475 L CB -1.105 40.921 42.059 -0.055 0.000 0.897 475 L HN 0.962 nan 8.230 nan 0.000 0.445 476 G N 0.124 108.847 108.800 -0.129 0.000 3.047 476 G HA2 -0.179 3.781 3.960 0.000 0.000 0.374 476 G HA3 -0.179 3.781 3.960 0.000 0.000 0.374 476 G C -0.241 174.557 174.900 -0.170 0.000 1.277 476 G CA -0.223 44.757 45.100 -0.199 0.000 1.153 476 G HN 0.285 nan 8.290 nan 0.000 0.711 477 L N 1.087 122.187 121.223 -0.206 0.000 2.505 477 L HA 0.387 4.727 4.340 0.000 0.000 0.279 477 L C 1.025 177.893 176.870 -0.003 0.000 1.211 477 L CA 0.041 54.851 54.840 -0.050 0.000 1.059 477 L CB -1.281 40.836 42.059 0.097 0.000 1.340 477 L HN 0.664 nan 8.230 nan 0.000 0.447 478 R N 2.527 123.019 120.500 -0.013 0.000 2.869 478 R HA 1.000 5.340 4.340 0.000 0.000 0.263 478 R C -0.010 176.297 176.300 0.011 0.000 1.066 478 R CA -0.652 55.469 56.100 0.034 0.000 0.960 478 R CB 0.968 31.261 30.300 -0.013 0.000 1.221 478 R HN 0.569 nan 8.270 nan 0.000 0.474 479 G N 0.449 109.269 108.800 0.033 0.000 2.549 479 G HA2 -0.078 3.882 3.960 0.000 0.000 0.404 479 G HA3 -0.078 3.882 3.960 0.000 0.000 0.404 479 G C -0.523 174.251 174.900 -0.211 0.000 1.292 479 G CA -0.513 44.566 45.100 -0.035 0.000 0.935 479 G HN 0.599 nan 8.290 nan 0.000 0.512 480 I N -0.170 120.120 120.570 -0.468 0.000 2.779 480 I HA 0.389 4.559 4.170 0.000 0.000 0.285 480 I C 0.536 175.913 176.117 -1.234 0.000 1.134 480 I CA -0.314 60.189 61.300 -1.329 0.000 1.398 480 I CB 1.046 38.281 38.000 -1.275 0.000 1.404 480 I HN 0.373 nan 8.210 nan 0.000 0.587 481 V N 3.638 122.674 119.914 -1.462 0.000 2.524 481 V HA 0.524 4.644 4.120 0.000 0.000 0.297 481 V C -0.763 174.916 176.094 -0.692 0.000 1.035 481 V CA -0.435 61.424 62.300 -0.736 0.000 0.867 481 V CB 1.565 33.299 31.823 -0.149 0.000 1.004 481 V HN 0.764 nan 8.190 nan 0.000 0.426 482 D N 1.893 121.826 120.400 -0.779 0.000 2.694 482 D HA 0.334 4.974 4.640 0.000 0.000 0.260 482 D C -0.751 175.561 176.300 0.021 0.000 1.250 482 D CA -0.264 53.546 54.000 -0.316 0.000 0.763 482 D CB 2.274 42.906 40.800 -0.281 0.000 1.311 482 D HN 0.443 nan 8.370 nan 0.000 0.420 483 T N 1.639 116.449 114.554 0.427 0.000 2.749 483 T HA 0.343 4.693 4.350 0.000 0.000 0.295 483 T C -0.064 174.958 174.700 0.538 0.000 0.936 483 T CA -0.190 62.217 62.100 0.512 0.000 1.060 483 T CB -0.103 69.056 68.868 0.486 0.000 0.904 483 T HN 0.214 nan 8.240 nan 0.000 0.500 484 F N 3.382 123.480 119.950 0.246 0.000 2.371 484 F HA 0.312 4.839 4.527 0.000 0.000 0.363 484 F C 0.809 176.671 175.800 0.103 0.000 1.122 484 F CA -1.214 56.901 58.000 0.190 0.000 1.129 484 F CB 0.706 39.658 39.000 -0.080 0.000 1.173 484 F HN 0.489 nan 8.300 nan 0.000 0.489 485 E N 5.166 125.522 120.200 0.260 0.000 2.175 485 E HA -0.138 4.212 4.350 0.000 0.000 0.247 485 E C 1.004 177.812 176.600 0.348 0.000 1.259 485 E CA 0.057 56.595 56.400 0.230 0.000 0.969 485 E CB -0.283 29.565 29.700 0.247 0.000 1.051 485 E HN 0.648 nan 8.360 nan 0.000 0.448 486 N N 4.031 122.906 118.700 0.293 0.000 2.585 486 N HA -0.214 4.526 4.740 0.000 0.000 0.188 486 N C 0.406 176.025 175.510 0.181 0.000 1.102 486 N CA 1.287 54.478 53.050 0.236 0.000 0.920 486 N CB -0.210 38.315 38.487 0.064 0.000 0.963 486 N HN 0.544 nan 8.380 nan 0.000 0.447 487 N N -1.326 117.480 118.700 0.177 0.000 2.305 487 N HA 0.023 4.763 4.740 0.000 0.000 0.179 487 N C -0.274 175.371 175.510 0.225 0.000 1.019 487 N CA 0.025 53.172 53.050 0.162 0.000 0.869 487 N CB -0.006 38.552 38.487 0.117 0.000 1.000 487 N HN -0.006 nan 8.380 nan 0.000 0.431 488 F N 1.597 121.543 119.950 -0.005 0.000 2.485 488 F HA 0.059 4.586 4.527 0.000 0.000 0.327 488 F C 1.119 176.900 175.800 -0.031 0.000 1.203 488 F CA -0.840 57.136 58.000 -0.041 0.000 1.295 488 F CB 0.680 39.670 39.000 -0.016 0.000 1.191 488 F HN -0.230 nan 8.300 nan 0.000 0.588 489 S N 2.010 117.612 115.700 -0.164 0.000 2.448 489 S HA 0.230 4.700 4.470 0.000 0.000 0.279 489 S C 0.117 174.815 174.600 0.164 0.000 1.195 489 S CA -0.574 57.560 58.200 -0.111 0.000 1.051 489 S CB 0.144 63.087 63.200 -0.429 0.000 0.948 489 S HN 0.709 nan 8.310 nan 0.000 0.493 490 S N 3.813 119.675 115.700 0.271 0.000 2.596 490 S HA 0.690 5.160 4.470 0.000 0.000 0.260 490 S C -0.075 174.765 174.600 0.401 0.000 1.336 490 S CA 0.143 58.559 58.200 0.360 0.000 0.993 490 S CB 0.380 63.923 63.200 0.572 0.000 0.923 490 S HN 1.554 nan 8.310 nan 0.000 0.567 491 A N 1.056 124.088 122.820 0.354 0.000 2.590 491 A HA 0.565 4.885 4.320 0.000 0.000 0.296 491 A C -0.687 176.985 177.584 0.146 0.000 1.050 491 A CA -0.236 51.974 52.037 0.289 0.000 0.697 491 A CB 0.538 19.769 19.000 0.385 0.000 1.277 491 A HN 1.775 nan 8.150 nan 0.000 0.411 492 V N -1.289 118.669 119.914 0.073 0.000 3.126 492 V HA 0.998 5.119 4.120 0.000 0.000 0.314 492 V C -0.696 175.421 176.094 0.037 0.000 1.138 492 V CA -0.789 61.575 62.300 0.106 0.000 1.034 492 V CB 1.545 33.485 31.823 0.195 0.000 1.075 492 V HN 2.159 nan 8.190 nan 0.000 0.442 493 V N 2.115 122.116 119.914 0.145 0.000 2.737 493 V HA 0.582 4.702 4.120 0.000 0.000 0.298 493 V C -1.742 174.537 176.094 0.309 0.000 1.163 493 V CA -0.164 62.139 62.300 0.006 0.000 0.925 493 V CB 1.716 33.257 31.823 -0.471 0.000 1.037 493 V HN 1.195 nan 8.190 nan 0.000 0.433 494 H N 6.254 125.308 119.070 -0.026 0.000 2.457 494 H HA 0.655 5.211 4.556 0.000 0.000 0.335 494 H C -0.747 174.529 175.328 -0.086 0.000 1.115 494 H CA -1.134 54.936 56.048 0.037 0.000 1.219 494 H CB 1.176 30.950 29.762 0.020 0.000 1.471 494 H HN 0.533 nan 8.280 nan 0.000 0.491 495 F N 1.067 121.084 119.950 0.112 0.000 2.432 495 F HA 0.388 4.915 4.527 0.000 0.000 0.329 495 F C -0.269 175.417 175.800 -0.191 0.000 1.076 495 F CA -0.536 57.445 58.000 -0.031 0.000 1.018 495 F CB 1.411 40.395 39.000 -0.028 0.000 1.201 495 F HN 0.476 nan 8.300 nan 0.000 0.489 496 W N 0.345 121.347 121.300 -0.495 0.000 3.256 496 W HA 0.479 5.139 4.660 0.000 0.000 0.324 496 W C 0.271 176.554 176.519 -0.393 0.000 1.196 496 W CA -0.672 56.326 57.345 -0.578 0.000 1.206 496 W CB 2.153 30.995 29.460 -1.031 0.000 1.385 496 W HN 0.751 nan 8.180 nan 0.000 0.522 497 G N 3.519 112.144 108.800 -0.291 0.000 2.249 497 G HA2 -0.319 3.641 3.960 0.000 0.000 0.273 497 G HA3 -0.319 3.641 3.960 0.000 0.000 0.273 497 G C -0.012 174.923 174.900 0.059 0.000 1.036 497 G CA 0.540 45.639 45.100 -0.003 0.000 0.824 497 G HN 0.897 nan 8.290 nan 0.000 0.504 498 I N -2.788 117.741 120.570 -0.069 0.000 3.502 498 I HA 0.855 5.025 4.170 0.000 0.000 0.302 498 I C 0.642 176.862 176.117 0.171 0.000 1.170 498 I CA -0.708 60.645 61.300 0.087 0.000 0.953 498 I CB 1.444 39.463 38.000 0.031 0.000 1.475 498 I HN 0.143 nan 8.210 nan 0.000 0.657 499 S N 0.029 115.923 115.700 0.324 0.000 2.549 499 S HA 0.229 4.699 4.470 0.000 0.000 0.297 499 S C 0.712 175.629 174.600 0.527 0.000 1.115 499 S CA -0.633 57.779 58.200 0.353 0.000 1.059 499 S CB 1.483 64.817 63.200 0.223 0.000 1.046 499 S HN 0.695 nan 8.310 nan 0.000 0.506 500 Q N 2.175 122.129 119.800 0.256 0.000 2.152 500 Q HA -0.099 4.241 4.340 0.000 0.000 0.206 500 Q C 2.071 178.037 176.000 -0.057 0.000 0.985 500 Q CA 1.893 57.615 55.803 -0.136 0.000 0.863 500 Q CB -0.732 27.905 28.738 -0.168 0.000 0.904 500 Q HN 0.730 nan 8.270 nan 0.000 0.422 501 S N 0.933 116.665 115.700 0.053 0.000 2.383 501 S HA 0.037 4.507 4.470 0.000 0.000 0.227 501 S C 1.023 175.658 174.600 0.058 0.000 1.026 501 S CA 0.501 58.717 58.200 0.027 0.000 0.981 501 S CB -0.146 63.068 63.200 0.023 0.000 0.818 501 S HN 0.465 nan 8.310 nan 0.000 0.472 502 A N 1.799 124.710 122.820 0.150 0.000 2.492 502 A HA 0.481 4.801 4.320 0.000 0.000 0.254 502 A C 0.311 178.034 177.584 0.232 0.000 1.091 502 A CA 0.129 52.217 52.037 0.085 0.000 0.768 502 A CB 0.140 19.213 19.000 0.122 0.000 1.028 502 A HN 0.212 nan 8.150 nan 0.000 0.498 503 T N 2.232 116.830 114.554 0.075 0.000 2.908 503 T HA 0.620 4.970 4.350 0.000 0.000 0.290 503 T C -0.621 174.095 174.700 0.028 0.000 1.034 503 T CA -0.515 61.669 62.100 0.140 0.000 1.010 503 T CB 0.439 69.336 68.868 0.049 0.000 1.068 503 T HN 0.445 nan 8.240 nan 0.000 0.481 504 I N 3.855 124.448 120.570 0.038 0.000 2.330 504 I HA 0.358 4.528 4.170 0.000 0.000 0.289 504 I C -0.370 175.666 176.117 -0.134 0.000 1.001 504 I CA -0.957 60.286 61.300 -0.095 0.000 1.193 504 I CB 1.837 39.701 38.000 -0.226 0.000 1.345 504 I HN 0.322 nan 8.210 nan 0.000 0.461 505 V N 6.311 126.137 119.914 -0.148 0.000 2.372 505 V HA 0.083 4.203 4.120 0.000 0.000 0.261 505 V C 0.014 175.939 176.094 -0.282 0.000 1.055 505 V CA -0.355 61.839 62.300 -0.176 0.000 0.930 505 V CB 0.645 32.395 31.823 -0.122 0.000 1.031 505 V HN 0.797 nan 8.190 nan 0.000 0.479 506 C N 6.244 125.299 119.300 -0.408 0.000 2.135 506 C HA 0.343 4.803 4.460 0.000 0.000 0.345 506 C C 0.741 175.433 174.990 -0.496 0.000 1.067 506 C CA -1.480 57.125 59.018 -0.688 0.000 1.517 506 C CB -1.405 25.730 27.740 -1.009 0.000 1.923 506 C HN 0.765 nan 8.230 nan 0.000 0.466 507 K N 2.072 122.282 120.400 -0.317 0.000 2.310 507 K HA 0.369 4.689 4.320 0.000 0.000 0.290 507 K C 0.458 177.013 176.600 -0.075 0.000 1.077 507 K CA 0.263 56.470 56.287 -0.134 0.000 0.922 507 K CB 0.586 33.110 32.500 0.040 0.000 1.057 507 K HN 0.694 nan 8.250 nan 0.000 0.479 508 T N 1.294 115.755 114.554 -0.155 0.000 2.888 508 T HA 0.404 4.754 4.350 0.000 0.000 0.284 508 T C -1.134 173.569 174.700 0.004 0.000 1.017 508 T CA -0.627 61.436 62.100 -0.062 0.000 1.022 508 T CB 0.537 69.256 68.868 -0.248 0.000 1.013 508 T HN 0.414 nan 8.240 nan 0.000 0.465 509 Y N 2.418 122.735 120.300 0.027 0.000 2.488 509 Y HA 0.376 4.926 4.550 0.000 0.000 0.330 509 Y C -0.049 175.949 175.900 0.164 0.000 1.013 509 Y CA -1.321 56.845 58.100 0.111 0.000 1.304 509 Y CB 1.189 39.739 38.460 0.150 0.000 1.098 509 Y HN 0.689 nan 8.280 nan 0.000 0.498 510 D N 2.293 122.788 120.400 0.157 0.000 2.233 510 D HA 0.438 5.078 4.640 0.000 0.000 0.240 510 D C -0.213 176.058 176.300 -0.048 0.000 1.074 510 D CA -0.228 53.816 54.000 0.072 0.000 0.838 510 D CB 1.702 42.532 40.800 0.050 0.000 1.124 510 D HN 0.777 nan 8.370 nan 0.000 0.475 511 G N 5.063 113.588 108.800 -0.458 0.000 2.588 511 G HA2 0.413 4.373 3.960 0.000 0.000 0.312 511 G HA3 0.413 4.373 3.960 0.000 0.000 0.312 511 G C -0.475 174.175 174.900 -0.417 0.000 1.257 511 G CA -0.852 43.786 45.100 -0.770 0.000 0.994 511 G HN 0.431 nan 8.290 nan 0.000 0.498 512 W N 2.558 123.711 121.300 -0.246 0.000 2.706 512 W HA 0.838 5.498 4.660 0.000 0.000 0.346 512 W C -1.173 175.318 176.519 -0.046 0.000 1.071 512 W CA -1.306 55.930 57.345 -0.182 0.000 1.206 512 W CB 1.702 31.015 29.460 -0.245 0.000 1.413 512 W HN 0.499 nan 8.180 nan 0.000 0.542 513 E N 1.684 121.912 120.200 0.048 0.000 2.290 513 E HA 0.597 4.947 4.350 0.000 0.000 0.274 513 E C -1.152 175.638 176.600 0.317 0.000 0.889 513 E CA -0.518 55.798 56.400 -0.139 0.000 0.760 513 E CB 2.038 31.691 29.700 -0.079 0.000 1.206 513 E HN 0.838 nan 8.360 nan 0.000 0.419 514 G N 1.123 110.130 108.800 0.345 0.000 2.649 514 G HA2 0.459 4.419 3.960 0.000 0.000 0.290 514 G HA3 0.459 4.419 3.960 0.000 0.000 0.290 514 G C -1.105 173.933 174.900 0.230 0.000 1.426 514 G CA -0.631 44.718 45.100 0.416 0.000 0.794 514 G HN 0.441 nan 8.290 nan 0.000 0.483 515 T N -0.715 113.903 114.554 0.106 0.000 2.749 515 T HA 0.567 4.917 4.350 0.000 0.000 0.287 515 T C 0.582 175.404 174.700 0.203 0.000 0.970 515 T CA -0.240 61.857 62.100 -0.005 0.000 0.980 515 T CB 1.075 69.794 68.868 -0.248 0.000 0.924 515 T HN 0.948 nan 8.240 nan 0.000 0.456 516 T N 1.307 116.078 114.554 0.361 0.000 2.910 516 T HA 0.347 4.697 4.350 0.000 0.000 0.293 516 T C 0.692 175.555 174.700 0.272 0.000 1.015 516 T CA -0.651 61.633 62.100 0.308 0.000 1.094 516 T CB 1.439 70.496 68.868 0.314 0.000 0.968 516 T HN 0.583 nan 8.240 nan 0.000 0.521 517 N N 1.758 120.560 118.700 0.170 0.000 2.784 517 N HA 0.445 5.185 4.740 0.000 0.000 0.227 517 N C -0.251 175.308 175.510 0.083 0.000 1.109 517 N CA 0.420 53.542 53.050 0.121 0.000 1.184 517 N CB 0.235 38.770 38.487 0.081 0.000 1.554 517 N HN 1.000 nan 8.380 nan 0.000 0.589 518 A N -2.333 120.526 122.820 0.064 0.000 2.479 518 A HA 0.593 4.913 4.320 0.000 0.000 0.296 518 A C 0.734 178.348 177.584 0.050 0.000 1.121 518 A CA -0.178 51.887 52.037 0.048 0.000 0.743 518 A CB 0.762 19.780 19.000 0.030 0.000 1.323 518 A HN 0.959 nan 8.150 nan 0.000 0.415 519 G N 0.109 108.935 108.800 0.044 0.000 2.300 519 G HA2 -0.261 3.699 3.960 0.000 0.000 0.267 519 G HA3 -0.261 3.699 3.960 0.000 0.000 0.267 519 G C 0.700 175.638 174.900 0.064 0.000 0.980 519 G CA 1.002 46.128 45.100 0.044 0.000 0.635 519 G HN 1.427 nan 8.290 nan 0.000 0.552 520 S N 1.324 117.075 115.700 0.085 0.000 2.629 520 S HA 0.310 4.780 4.470 0.000 0.000 0.302 520 S C 1.677 176.358 174.600 0.136 0.000 1.244 520 S CA 0.760 59.033 58.200 0.122 0.000 1.098 520 S CB 0.829 64.124 63.200 0.158 0.000 0.858 520 S HN 0.852 nan 8.310 nan 0.000 0.502 521 T N 0.487 115.123 114.554 0.137 0.000 3.227 521 T HA 0.061 4.411 4.350 0.000 0.000 0.257 521 T C 0.998 175.852 174.700 0.257 0.000 1.162 521 T CA 0.065 62.257 62.100 0.153 0.000 1.051 521 T CB -0.101 68.835 68.868 0.113 0.000 0.953 521 T HN 0.405 nan 8.240 nan 0.000 0.535 522 V N 0.044 120.134 119.914 0.293 0.000 3.431 522 V HA 0.321 4.441 4.120 0.000 0.000 0.255 522 V C 2.707 179.080 176.094 0.465 0.000 1.403 522 V CA 0.440 63.015 62.300 0.458 0.000 1.101 522 V CB -0.256 31.786 31.823 0.365 0.000 0.891 522 V HN 0.500 nan 8.190 nan 0.000 0.446 523 G N 1.363 110.340 108.800 0.296 0.000 2.626 523 G HA2 -0.371 3.589 3.960 0.000 0.000 0.224 523 G HA3 -0.371 3.589 3.960 0.000 0.000 0.224 523 G C 1.229 176.231 174.900 0.171 0.000 1.095 523 G CA 1.480 46.718 45.100 0.230 0.000 0.738 523 G HN 0.744 nan 8.290 nan 0.000 0.600 524 Q N -1.077 118.790 119.800 0.112 0.000 2.515 524 Q HA 0.234 4.574 4.340 0.000 0.000 0.214 524 Q C 1.172 177.021 176.000 -0.252 0.000 0.971 524 Q CA 0.503 56.245 55.803 -0.101 0.000 0.952 524 Q CB -0.208 28.385 28.738 -0.241 0.000 0.999 524 Q HN 0.505 nan 8.270 nan 0.000 0.524 525 F N 0.203 120.215 119.950 0.103 0.000 2.746 525 F HA 0.431 4.958 4.527 0.000 0.000 0.313 525 F C 0.966 176.735 175.800 -0.052 0.000 1.095 525 F CA -0.489 57.544 58.000 0.054 0.000 1.224 525 F CB 0.491 39.499 39.000 0.014 0.000 1.060 525 F HN 0.091 nan 8.300 nan 0.000 0.584 526 A N 0.456 123.420 122.820 0.240 0.000 2.462 526 A HA 0.471 4.791 4.320 0.000 0.000 0.243 526 A C -0.417 177.389 177.584 0.370 0.000 1.076 526 A CA 0.296 52.461 52.037 0.214 0.000 0.773 526 A CB 0.016 19.242 19.000 0.376 0.000 1.010 526 A HN 0.323 nan 8.150 nan 0.000 0.493 527 H N -0.282 118.882 119.070 0.156 0.000 3.476 527 H HA 0.481 5.037 4.556 0.000 0.000 0.317 527 H C 0.079 175.486 175.328 0.131 0.000 1.674 527 H CA -0.810 55.303 56.048 0.108 0.000 1.247 527 H CB -0.288 29.514 29.762 0.067 0.000 1.740 527 H HN 0.559 nan 8.280 nan 0.000 0.667 528 T N 0.598 115.299 114.554 0.244 0.000 2.900 528 T HA 0.366 4.716 4.350 0.000 0.000 0.307 528 T C 0.867 175.632 174.700 0.110 0.000 1.065 528 T CA 0.358 62.550 62.100 0.152 0.000 1.105 528 T CB 0.191 69.115 68.868 0.093 0.000 0.979 528 T HN 0.648 nan 8.240 nan 0.000 0.544 529 G N 0.648 109.486 108.800 0.063 0.000 2.476 529 G HA2 0.518 4.478 3.960 0.000 0.000 0.269 529 G HA3 0.518 4.478 3.960 0.000 0.000 0.269 529 G C 0.141 175.037 174.900 -0.007 0.000 1.195 529 G CA -0.574 44.531 45.100 0.008 0.000 0.843 529 G HN 1.023 nan 8.290 nan 0.000 0.545 530 A N 1.034 123.833 122.820 -0.035 0.000 2.586 530 A HA 0.213 4.533 4.320 0.000 0.000 0.231 530 A C 0.664 178.213 177.584 -0.059 0.000 1.055 530 A CA 0.347 52.355 52.037 -0.049 0.000 0.756 530 A CB 0.100 19.039 19.000 -0.100 0.000 0.988 530 A HN 0.689 nan 8.150 nan 0.000 0.509 531 E N 0.417 120.591 120.200 -0.044 0.000 2.343 531 E HA 0.110 4.460 4.350 0.000 0.000 0.269 531 E C -0.088 176.468 176.600 -0.073 0.000 1.047 531 E CA -0.338 56.035 56.400 -0.044 0.000 0.874 531 E CB 0.799 30.486 29.700 -0.023 0.000 1.033 531 E HN 0.716 nan 8.360 nan 0.000 0.409 532 E N 2.473 122.630 120.200 -0.073 0.000 2.159 532 E HA -0.080 4.270 4.350 0.000 0.000 0.272 532 E C -0.429 176.129 176.600 -0.071 0.000 1.138 532 E CA 0.157 56.501 56.400 -0.094 0.000 0.915 532 E CB 0.357 30.009 29.700 -0.080 0.000 1.028 532 E HN 0.238 nan 8.360 nan 0.000 0.423 533 E N 3.965 124.116 120.200 -0.081 0.000 3.388 533 E HA 0.029 4.379 4.350 0.000 0.000 0.214 533 E C 0.073 176.654 176.600 -0.032 0.000 1.040 533 E CA -0.144 56.233 56.400 -0.038 0.000 1.327 533 E CB -0.059 29.638 29.700 -0.006 0.000 1.243 533 E HN 0.651 nan 8.360 nan 0.000 0.444 534 D N 0.288 120.655 120.400 -0.055 0.000 2.286 534 D HA -0.321 4.319 4.640 0.000 0.000 0.195 534 D C 1.055 177.360 176.300 0.008 0.000 1.012 534 D CA 1.276 55.252 54.000 -0.040 0.000 0.901 534 D CB 0.073 40.850 40.800 -0.039 0.000 0.903 534 D HN 0.316 nan 8.370 nan 0.000 0.451 535 E N 0.629 120.832 120.200 0.004 0.000 2.055 535 E HA -0.206 4.144 4.350 0.000 0.000 0.209 535 E C 2.516 179.132 176.600 0.027 0.000 1.036 535 E CA 1.525 57.931 56.400 0.009 0.000 0.849 535 E CB -0.754 28.944 29.700 -0.004 0.000 0.767 535 E HN 0.374 nan 8.360 nan 0.000 0.461 536 V N 1.592 121.524 119.914 0.030 0.000 2.222 536 V HA -0.280 3.840 4.120 0.000 0.000 0.240 536 V C 2.683 178.920 176.094 0.238 0.000 1.040 536 V CA 1.978 64.315 62.300 0.061 0.000 0.988 536 V CB -1.102 30.778 31.823 0.095 0.000 0.633 536 V HN 0.064 nan 8.190 nan 0.000 0.452 537 V N -0.051 120.035 119.914 0.287 0.000 2.279 537 V HA -0.524 3.596 4.120 0.000 0.000 0.258 537 V C 2.437 178.709 176.094 0.296 0.000 1.078 537 V CA 2.967 65.451 62.300 0.306 0.000 1.096 537 V CB -1.209 30.596 31.823 -0.030 0.000 0.740 537 V HN 0.732 nan 8.190 nan 0.000 0.465 538 Q N -0.717 119.183 119.800 0.167 0.000 1.998 538 Q HA -0.310 4.030 4.340 0.000 0.000 0.209 538 Q C 2.275 178.393 176.000 0.197 0.000 1.002 538 Q CA 2.799 58.693 55.803 0.153 0.000 0.858 538 Q CB -0.339 28.455 28.738 0.093 0.000 0.932 538 Q HN 0.576 nan 8.270 nan 0.000 0.416 539 L N 0.882 122.220 121.223 0.191 0.000 1.997 539 L HA -0.312 4.028 4.340 0.000 0.000 0.227 539 L C 2.281 179.331 176.870 0.299 0.000 1.087 539 L CA 2.953 57.920 54.840 0.211 0.000 0.797 539 L CB -1.338 40.829 42.059 0.179 0.000 0.902 539 L HN 0.366 nan 8.230 nan 0.000 0.441 540 A N -0.200 122.922 122.820 0.502 0.000 1.873 540 A HA -0.386 3.934 4.320 0.000 0.000 0.219 540 A C 2.053 179.773 177.584 0.226 0.000 1.269 540 A CA 2.663 54.903 52.037 0.339 0.000 0.671 540 A CB -1.348 17.966 19.000 0.524 0.000 0.842 540 A HN 0.762 nan 8.150 nan 0.000 0.460 541 N N -0.297 118.614 118.700 0.351 0.000 2.096 541 N HA -0.238 4.502 4.740 0.000 0.000 0.195 541 N C 1.805 177.367 175.510 0.086 0.000 1.017 541 N CA 1.945 55.156 53.050 0.268 0.000 0.870 541 N CB -0.526 38.133 38.487 0.286 0.000 1.024 541 N HN 0.601 nan 8.380 nan 0.000 0.434 542 R N 0.674 121.230 120.500 0.094 0.000 2.075 542 R HA -0.003 4.337 4.340 0.000 0.000 0.230 542 R C 2.504 178.793 176.300 -0.018 0.000 1.140 542 R CA 0.952 57.076 56.100 0.040 0.000 0.928 542 R CB -0.617 29.720 30.300 0.062 0.000 0.834 542 R HN 0.178 nan 8.270 nan 0.000 0.429 543 L N 0.843 122.063 121.223 -0.006 0.000 1.965 543 L HA -0.357 3.983 4.340 0.000 0.000 0.226 543 L C 2.728 179.511 176.870 -0.145 0.000 1.083 543 L CA 1.471 56.276 54.840 -0.057 0.000 0.790 543 L CB -0.965 41.047 42.059 -0.077 0.000 0.898 543 L HN 0.301 nan 8.230 nan 0.000 0.439 544 Q N -0.498 119.154 119.800 -0.247 0.000 2.028 544 Q HA -0.330 4.010 4.340 0.000 0.000 0.213 544 Q C 2.099 177.793 176.000 -0.510 0.000 1.017 544 Q CA 2.418 57.950 55.803 -0.452 0.000 0.875 544 Q CB -0.815 27.550 28.738 -0.621 0.000 0.962 544 Q HN 0.527 nan 8.270 nan 0.000 0.413 545 M N 0.765 120.086 119.600 -0.466 0.000 2.110 545 M HA -0.239 4.241 4.480 0.000 0.000 0.257 545 M C 1.859 178.068 176.300 -0.152 0.000 1.071 545 M CA 2.086 57.203 55.300 -0.304 0.000 1.096 545 M CB -0.732 31.795 32.600 -0.121 0.000 1.300 545 M HN 0.328 nan 8.290 nan 0.000 0.411 546 E N 0.230 120.370 120.200 -0.101 0.000 2.219 546 E HA -0.109 4.242 4.350 0.000 0.000 0.198 546 E C 0.685 177.258 176.600 -0.045 0.000 0.998 546 E CA 0.587 56.957 56.400 -0.049 0.000 0.818 546 E CB 0.091 29.774 29.700 -0.029 0.000 0.741 546 E HN 0.515 nan 8.360 nan 0.000 0.477 547 L N -0.676 120.502 121.223 -0.075 0.000 2.376 547 L HA 0.246 4.586 4.340 0.000 0.000 0.267 547 L C 0.257 177.098 176.870 -0.049 0.000 1.035 547 L CA -0.520 54.300 54.840 -0.033 0.000 0.800 547 L CB 1.811 43.880 42.059 0.016 0.000 1.290 547 L HN -0.127 nan 8.230 nan 0.000 0.462 548 T N -0.724 113.800 114.554 -0.051 0.000 2.767 548 T HA 0.308 4.658 4.350 0.000 0.000 0.284 548 T C 0.898 175.452 174.700 -0.243 0.000 0.973 548 T CA -0.338 61.700 62.100 -0.103 0.000 0.996 548 T CB 1.170 69.940 68.868 -0.162 0.000 0.927 548 T HN 0.715 nan 8.240 nan 0.000 0.456 549 G N 3.649 112.469 108.800 0.033 0.000 2.916 549 G HA2 0.283 4.243 3.960 0.000 0.000 0.205 549 G HA3 0.283 4.243 3.960 0.000 0.000 0.205 549 G C 0.151 174.855 174.900 -0.328 0.000 1.163 549 G CA 0.067 45.249 45.100 0.137 0.000 0.821 549 G HN 0.672 nan 8.290 nan 0.000 0.515 550 V N -0.203 119.262 119.914 -0.748 0.000 2.680 550 V HA 0.739 4.859 4.120 0.000 0.000 0.309 550 V C -0.674 174.944 176.094 -0.793 0.000 1.052 550 V CA -0.836 61.097 62.300 -0.612 0.000 0.908 550 V CB 1.323 33.026 31.823 -0.200 0.000 1.001 550 V HN 0.307 nan 8.190 nan 0.000 0.431 551 Y N 0.737 121.209 120.300 0.286 0.000 2.840 551 Y HA 0.531 5.081 4.550 0.000 0.000 0.324 551 Y C -0.321 175.834 175.900 0.424 0.000 1.378 551 Y CA -1.340 56.974 58.100 0.357 0.000 1.077 551 Y CB 1.057 39.694 38.460 0.295 0.000 1.361 551 Y HN 0.450 nan 8.280 nan 0.000 0.459 552 Q N 0.230 120.274 119.800 0.406 0.000 2.222 552 Q HA 0.623 4.963 4.340 0.000 0.000 0.252 552 Q C 0.116 176.202 176.000 0.143 0.000 0.926 552 Q CA -0.405 55.538 55.803 0.235 0.000 0.899 552 Q CB 1.774 30.439 28.738 -0.122 0.000 1.250 552 Q HN 0.812 nan 8.270 nan 0.000 0.441 553 A N 2.245 125.146 122.820 0.134 0.000 2.247 553 A HA -0.102 4.218 4.320 0.000 0.000 0.205 553 A C 0.366 177.936 177.584 -0.025 0.000 1.261 553 A CA 0.858 52.923 52.037 0.047 0.000 0.853 553 A CB -0.172 18.884 19.000 0.093 0.000 0.793 553 A HN 0.722 nan 8.150 nan 0.000 0.487 554 D N -1.203 119.174 120.400 -0.038 0.000 2.449 554 D HA -0.000 4.640 4.640 0.000 0.000 0.210 554 D C 0.034 176.267 176.300 -0.112 0.000 1.094 554 D CA 0.046 54.008 54.000 -0.064 0.000 0.846 554 D CB 0.264 41.037 40.800 -0.044 0.000 1.003 554 D HN 0.341 nan 8.370 nan 0.000 0.504 555 D N 1.221 121.542 120.400 -0.132 0.000 2.407 555 D HA -0.030 4.610 4.640 0.000 0.000 0.208 555 D C 1.087 177.164 176.300 -0.373 0.000 1.083 555 D CA -0.064 53.832 54.000 -0.173 0.000 0.844 555 D CB 0.689 41.442 40.800 -0.078 0.000 0.967 555 D HN 0.221 nan 8.370 nan 0.000 0.506 556 N N 0.000 118.424 118.700 -0.460 0.000 1.763 556 N HA 0.000 4.740 4.740 0.000 0.000 0.220 556 N CA 0.000 52.491 53.050 -0.932 0.000 0.885 556 N CB 0.000 38.178 38.487 -0.514 0.000 1.341 556 N HN 0.000 nan 8.380 nan 0.000 0.667