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 2vgl_1_A DATA FIRST_RESID 9 DATA SEQUENCE GMRGLAVFIS DIRNCKSKEA EIKRINKELA NIRSKFKGDK ALDGYSKKKY DATA SEQUENCE VCKLLFIFLL GHDIDFGHME AVNLLSSNRY TEKQIGYLFI SVLVNSNSEL DATA SEQUENCE IRLINNAIKN DLASRNPTFM GLALHCIANV GSREMAEAFA GEIPKILVAG DATA SEQUENCE DTMDSVKQSA ALCLLRLYRT SPDLVPMGDW TSRVVHLLND QHLGVVTAAT DATA SEQUENCE SLITTLAQKN PEEFKTSVSL AVSRLSRIVT SASTDLQDYT YYFVPAPWLS DATA SEQUENCE VKLLRLLQCY PPPEDPAVRG RLTECLETIL NKAQEPPKSK KVQHSNAKNA DATA SEQUENCE VLFEAISLII HHDSEPNLLV RACNQLGQFL QHRETNLRYL ALESMCTLAS DATA SEQUENCE SEFSHEAVKT HIETVINALK TERDVSVRQR AVDLLYAMCD RSNAQQIVAE DATA SEQUENCE MLSYLETADY SIREEIVLKV AILAEKYAVD YTWYVDTILN LIRIAGDYVS DATA SEQUENCE EEVWYRVIQI VINRDDVQGY AAKTVFEALQ APACHENLVK VGGYILGEFG DATA SEQUENCE NLIAGDPRSS PLIQFNLLHS KFHLCSVPTR ALLLSTYIKF VNLFPEVKAT DATA SEQUENCE IQDVLRSDSQ LKNADVELQQ RAVEYLRLST VASTDILATV LEEMPPFPER 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 9 G HA2 0.000 nan 3.960 nan 0.000 0.244 9 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 9 G C 0.000 174.993 174.900 0.155 0.000 0.946 9 G CA 0.000 45.160 45.100 0.100 0.000 0.502 10 M N 2.504 122.166 119.600 0.103 0.000 2.480 10 M HA 0.380 4.860 4.480 -0.000 0.000 0.320 10 M C 1.237 177.590 176.300 0.089 0.000 1.141 10 M CA -0.446 54.918 55.300 0.107 0.000 1.102 10 M CB 1.672 34.241 32.600 -0.051 0.000 1.249 10 M HN 0.341 nan 8.290 nan 0.000 0.446 11 R N 1.585 122.157 120.500 0.121 0.000 2.119 11 R HA -0.167 4.173 4.340 -0.000 0.000 0.246 11 R C 1.792 178.137 176.300 0.075 0.000 1.146 11 R CA 2.417 58.564 56.100 0.078 0.000 0.962 11 R CB -0.328 30.013 30.300 0.069 0.000 0.863 11 R HN 0.809 nan 8.270 nan 0.000 0.442 12 G N 1.367 110.227 108.800 0.101 0.000 2.440 12 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 12 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 12 G C 1.324 176.272 174.900 0.080 0.000 1.154 12 G CA 0.803 45.956 45.100 0.089 0.000 0.767 12 G HN 0.342 nan 8.290 nan 0.000 0.552 13 L N 1.368 122.614 121.223 0.038 0.000 2.046 13 L HA 0.175 4.514 4.340 -0.000 0.000 0.208 13 L C 3.058 179.931 176.870 0.004 0.000 1.077 13 L CA 2.134 56.993 54.840 0.032 0.000 0.747 13 L CB -0.867 41.180 42.059 -0.020 0.000 0.896 13 L HN 0.239 nan 8.230 nan 0.000 0.432 14 A N -1.111 121.707 122.820 -0.002 0.000 1.858 14 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 14 A C 2.309 179.881 177.584 -0.019 0.000 1.190 14 A CA 2.064 54.084 52.037 -0.028 0.000 0.617 14 A CB -1.223 17.774 19.000 -0.006 0.000 0.827 14 A HN 0.286 nan 8.150 nan 0.000 0.443 15 V N -0.941 118.990 119.914 0.029 0.000 2.252 15 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 15 V C 2.292 178.435 176.094 0.082 0.000 1.056 15 V CA 2.425 64.755 62.300 0.049 0.000 1.022 15 V CB -0.920 30.945 31.823 0.070 0.000 0.641 15 V HN 0.639 nan 8.190 nan 0.000 0.445 16 F N 0.528 120.448 119.950 -0.049 0.000 2.091 16 F HA -0.236 4.291 4.527 -0.000 0.000 0.299 16 F C 2.142 177.881 175.800 -0.101 0.000 1.103 16 F CA 1.749 59.714 58.000 -0.057 0.000 1.228 16 F CB -0.530 38.437 39.000 -0.054 0.000 0.984 16 F HN 0.090 nan 8.300 nan 0.000 0.477 17 I N -0.334 120.017 120.570 -0.365 0.000 2.208 17 I HA -0.368 3.802 4.170 -0.000 0.000 0.245 17 I C 2.376 178.338 176.117 -0.258 0.000 1.097 17 I CA 1.704 62.703 61.300 -0.503 0.000 1.363 17 I CB -0.682 37.020 38.000 -0.497 0.000 1.051 17 I HN 0.130 nan 8.210 nan 0.000 0.413 18 S N 0.267 115.881 115.700 -0.143 0.000 2.383 18 S HA -0.154 4.316 4.470 -0.000 0.000 0.227 18 S C 1.548 176.110 174.600 -0.065 0.000 1.026 18 S CA 1.146 59.300 58.200 -0.077 0.000 0.981 18 S CB -0.374 62.804 63.200 -0.037 0.000 0.818 18 S HN 0.414 nan 8.310 nan 0.000 0.472 19 D N 1.708 122.073 120.400 -0.058 0.000 2.097 19 D HA -0.034 4.606 4.640 -0.000 0.000 0.195 19 D C 1.813 178.070 176.300 -0.070 0.000 0.989 19 D CA 0.750 54.733 54.000 -0.029 0.000 0.827 19 D CB -0.479 40.343 40.800 0.037 0.000 0.966 19 D HN 0.266 nan 8.370 nan 0.000 0.456 20 I N 0.863 121.325 120.570 -0.181 0.000 2.194 20 I HA -0.266 3.904 4.170 -0.000 0.000 0.246 20 I C 2.501 178.577 176.117 -0.069 0.000 1.093 20 I CA 1.296 62.501 61.300 -0.159 0.000 1.355 20 I CB -0.073 37.785 38.000 -0.237 0.000 1.046 20 I HN -0.072 nan 8.210 nan 0.000 0.413 21 R N 0.155 120.616 120.500 -0.065 0.000 2.066 21 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 21 R C 1.935 178.224 176.300 -0.018 0.000 1.131 21 R CA 1.356 57.439 56.100 -0.028 0.000 0.955 21 R CB -0.449 29.836 30.300 -0.024 0.000 0.851 21 R HN 0.397 nan 8.270 nan 0.000 0.432 22 N N 0.491 119.180 118.700 -0.019 0.000 2.513 22 N HA -0.098 4.642 4.740 -0.000 0.000 0.187 22 N C 0.124 175.632 175.510 -0.003 0.000 1.056 22 N CA 0.546 53.591 53.050 -0.008 0.000 0.907 22 N CB -0.396 38.088 38.487 -0.005 0.000 0.954 22 N HN 0.161 nan 8.380 nan 0.000 0.445 23 C N 1.863 121.160 119.300 -0.005 0.000 2.638 23 C HA 0.049 4.509 4.460 -0.000 0.000 0.410 23 C C 1.571 176.564 174.990 0.004 0.000 1.404 23 C CA -0.407 58.612 59.018 0.002 0.000 1.651 23 C CB -0.558 27.184 27.740 0.003 0.000 2.495 23 C HN 0.301 nan 8.230 nan 0.000 0.606 24 K N 2.078 122.482 120.400 0.006 0.000 2.504 24 K HA 0.101 4.420 4.320 -0.000 0.000 0.199 24 K C 0.466 177.070 176.600 0.007 0.000 1.028 24 K CA 0.225 56.515 56.287 0.005 0.000 1.164 24 K CB -0.071 32.432 32.500 0.005 0.000 0.877 24 K HN 0.843 nan 8.250 nan 0.000 0.508 25 S N -1.522 114.183 115.700 0.009 0.000 2.580 25 S HA 0.135 4.605 4.470 -0.000 0.000 0.281 25 S C 0.108 174.718 174.600 0.016 0.000 1.129 25 S CA -1.100 57.106 58.200 0.011 0.000 0.862 25 S CB 1.445 64.652 63.200 0.011 0.000 1.090 25 S HN 0.109 nan 8.310 nan 0.000 0.451 26 K N 1.006 121.416 120.400 0.018 0.000 2.211 26 K HA -0.137 4.182 4.320 -0.000 0.000 0.204 26 K C 1.662 178.282 176.600 0.035 0.000 1.047 26 K CA 1.951 58.255 56.287 0.029 0.000 0.935 26 K CB -0.163 32.353 32.500 0.026 0.000 0.728 26 K HN 0.719 nan 8.250 nan 0.000 0.452 27 E N -0.272 119.943 120.200 0.026 0.000 2.015 27 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 27 E C 1.887 178.502 176.600 0.024 0.000 0.991 27 E CA 0.953 57.367 56.400 0.025 0.000 0.802 27 E CB -0.158 29.553 29.700 0.018 0.000 0.759 27 E HN 0.424 nan 8.360 nan 0.000 0.447 28 A N 1.391 124.223 122.820 0.020 0.000 1.927 28 A HA -0.329 3.990 4.320 -0.000 0.000 0.220 28 A C 2.058 179.657 177.584 0.025 0.000 1.185 28 A CA 2.153 54.202 52.037 0.020 0.000 0.639 28 A CB -0.758 18.252 19.000 0.016 0.000 0.820 28 A HN 0.482 nan 8.150 nan 0.000 0.451 29 E N -0.334 119.882 120.200 0.026 0.000 2.028 29 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 29 E C 1.956 178.571 176.600 0.024 0.000 0.988 29 E CA 1.264 57.680 56.400 0.027 0.000 0.799 29 E CB -0.262 29.460 29.700 0.036 0.000 0.755 29 E HN 0.638 nan 8.360 nan 0.000 0.447 30 I N 0.950 121.536 120.570 0.027 0.000 2.248 30 I HA -0.310 3.860 4.170 -0.000 0.000 0.248 30 I C 2.545 178.659 176.117 -0.006 0.000 1.107 30 I CA 1.285 62.583 61.300 -0.004 0.000 1.373 30 I CB -0.189 37.834 38.000 0.037 0.000 1.055 30 I HN 0.137 nan 8.210 nan 0.000 0.418 31 K N 0.099 120.508 120.400 0.017 0.000 2.025 31 K HA -0.208 4.112 4.320 -0.000 0.000 0.207 31 K C 2.268 178.891 176.600 0.037 0.000 1.049 31 K CA 1.122 57.421 56.287 0.020 0.000 0.933 31 K CB -0.160 32.352 32.500 0.021 0.000 0.714 31 K HN 0.008 nan 8.250 nan 0.000 0.438 32 R N 1.620 122.158 120.500 0.063 0.000 2.096 32 R HA -0.025 4.315 4.340 -0.000 0.000 0.235 32 R C 1.842 178.271 176.300 0.214 0.000 1.127 32 R CA 1.227 57.405 56.100 0.129 0.000 0.968 32 R CB -0.575 29.808 30.300 0.139 0.000 0.861 32 R HN 0.191 nan 8.270 nan 0.000 0.440 33 I N 0.590 121.259 120.570 0.165 0.000 2.179 33 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 33 I C 1.539 177.678 176.117 0.038 0.000 1.088 33 I CA 1.389 62.789 61.300 0.167 0.000 1.357 33 I CB -0.338 37.637 38.000 -0.042 0.000 1.051 33 I HN 0.215 nan 8.210 nan 0.000 0.409 34 N N 0.801 119.498 118.700 -0.005 0.000 2.188 34 N HA -0.202 4.538 4.740 -0.000 0.000 0.184 34 N C 1.736 177.229 175.510 -0.029 0.000 1.018 34 N CA 1.022 54.061 53.050 -0.018 0.000 0.858 34 N CB -0.336 38.141 38.487 -0.016 0.000 0.989 34 N HN 0.321 nan 8.380 nan 0.000 0.426 35 K N 1.066 121.457 120.400 -0.016 0.000 2.044 35 K HA -0.182 4.137 4.320 -0.000 0.000 0.210 35 K C 1.518 178.065 176.600 -0.088 0.000 1.049 35 K CA 1.288 57.554 56.287 -0.034 0.000 0.927 35 K CB 0.110 32.609 32.500 -0.000 0.000 0.713 35 K HN 0.003 nan 8.250 nan 0.000 0.443 36 E N 0.901 121.028 120.200 -0.121 0.000 2.051 36 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 36 E C 2.127 178.584 176.600 -0.238 0.000 0.991 36 E CA 0.944 57.169 56.400 -0.290 0.000 0.799 36 E CB -0.259 29.051 29.700 -0.650 0.000 0.748 36 E HN 0.364 nan 8.360 nan 0.000 0.449 37 L N 0.251 121.400 121.223 -0.123 0.000 2.042 37 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 37 L C 2.514 179.328 176.870 -0.095 0.000 1.076 37 L CA 1.259 56.086 54.840 -0.022 0.000 0.749 37 L CB -0.606 41.495 42.059 0.069 0.000 0.893 37 L HN 0.082 nan 8.230 nan 0.000 0.432 38 A N 0.495 123.243 122.820 -0.120 0.000 1.865 38 A HA -0.302 4.017 4.320 -0.000 0.000 0.217 38 A C 2.062 179.529 177.584 -0.194 0.000 1.191 38 A CA 2.317 54.265 52.037 -0.147 0.000 0.623 38 A CB -0.860 18.076 19.000 -0.106 0.000 0.826 38 A HN 0.487 nan 8.150 nan 0.000 0.444 39 N N 0.081 118.656 118.700 -0.209 0.000 2.094 39 N HA -0.139 4.601 4.740 -0.000 0.000 0.191 39 N C 1.413 176.672 175.510 -0.418 0.000 1.023 39 N CA 2.068 54.959 53.050 -0.265 0.000 0.857 39 N CB -0.427 37.907 38.487 -0.255 0.000 1.013 39 N HN 0.539 nan 8.380 nan 0.000 0.426 40 I N -0.397 119.874 120.570 -0.497 0.000 2.406 40 I HA -0.101 4.069 4.170 -0.000 0.000 0.249 40 I C 2.588 178.300 176.117 -0.674 0.000 1.122 40 I CA 0.470 61.302 61.300 -0.779 0.000 1.431 40 I CB -0.172 37.403 38.000 -0.708 0.000 1.087 40 I HN 0.154 nan 8.210 nan 0.000 0.424 41 R N 0.512 120.763 120.500 -0.414 0.000 2.090 41 R HA -0.114 4.226 4.340 -0.000 0.000 0.228 41 R C 2.426 178.584 176.300 -0.237 0.000 1.110 41 R CA 1.456 57.301 56.100 -0.426 0.000 0.973 41 R CB -0.006 29.918 30.300 -0.627 0.000 0.869 41 R HN 0.215 nan 8.270 nan 0.000 0.440 42 S N 0.992 116.566 115.700 -0.209 0.000 2.359 42 S HA -0.190 4.280 4.470 -0.000 0.000 0.222 42 S C 1.706 176.275 174.600 -0.050 0.000 1.038 42 S CA 1.746 59.874 58.200 -0.120 0.000 1.051 42 S CB -0.164 62.967 63.200 -0.115 0.000 0.944 42 S HN 0.391 nan 8.310 nan 0.000 0.433 43 K N 0.132 120.488 120.400 -0.073 0.000 2.155 43 K HA 0.086 4.406 4.320 -0.000 0.000 0.203 43 K C 1.860 178.617 176.600 0.261 0.000 1.052 43 K CA 0.956 57.276 56.287 0.055 0.000 0.948 43 K CB -0.257 32.232 32.500 -0.018 0.000 0.728 43 K HN 0.386 nan 8.250 nan 0.000 0.448 44 F N 1.428 121.358 119.950 -0.033 0.000 2.146 44 F HA -0.116 4.410 4.527 -0.000 0.000 0.298 44 F C 2.222 178.014 175.800 -0.013 0.000 1.096 44 F CA 0.421 58.424 58.000 0.005 0.000 1.275 44 F CB 0.121 39.153 39.000 0.054 0.000 1.008 44 F HN -0.105 nan 8.300 nan 0.000 0.480 45 K N 0.777 121.271 120.400 0.156 0.000 2.366 45 K HA 0.044 4.364 4.320 -0.000 0.000 0.198 45 K C 1.254 177.877 176.600 0.037 0.000 1.044 45 K CA 0.394 56.715 56.287 0.057 0.000 0.973 45 K CB -0.600 31.896 32.500 -0.006 0.000 0.767 45 K HN 0.189 nan 8.250 nan 0.000 0.475 46 G N 1.457 110.285 108.800 0.048 0.000 2.583 46 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.275 46 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.275 46 G C -0.081 174.835 174.900 0.027 0.000 1.342 46 G CA -0.129 44.989 45.100 0.029 0.000 1.030 46 G HN 0.066 nan 8.290 nan 0.000 0.520 47 D N -1.383 119.030 120.400 0.021 0.000 2.463 47 D HA 0.101 4.741 4.640 -0.000 0.000 0.237 47 D C 0.789 177.101 176.300 0.020 0.000 1.013 47 D CA 0.235 54.245 54.000 0.016 0.000 0.910 47 D CB 0.348 41.154 40.800 0.009 0.000 1.080 47 D HN 0.183 nan 8.370 nan 0.000 0.498 48 K N 1.482 121.898 120.400 0.027 0.000 2.379 48 K HA 0.464 4.784 4.320 -0.000 0.000 0.284 48 K C -0.134 176.490 176.600 0.041 0.000 1.044 48 K CA -0.387 55.919 56.287 0.031 0.000 0.974 48 K CB 0.911 33.433 32.500 0.037 0.000 0.962 48 K HN 0.056 nan 8.250 nan 0.000 0.474 49 A N 4.252 127.090 122.820 0.030 0.000 2.507 49 A HA 0.103 4.423 4.320 -0.000 0.000 0.235 49 A C -0.032 177.582 177.584 0.050 0.000 1.070 49 A CA -0.070 51.984 52.037 0.028 0.000 0.768 49 A CB 0.034 19.042 19.000 0.013 0.000 1.011 49 A HN 0.715 nan 8.150 nan 0.000 0.502 50 L N 2.226 123.481 121.223 0.053 0.000 2.292 50 L HA 0.300 4.640 4.340 -0.000 0.000 0.284 50 L C -0.091 176.804 176.870 0.041 0.000 1.065 50 L CA -0.987 53.900 54.840 0.079 0.000 0.806 50 L CB 0.834 42.956 42.059 0.103 0.000 1.175 50 L HN 0.800 nan 8.230 nan 0.000 0.431 51 D N 2.130 122.564 120.400 0.056 0.000 2.372 51 D HA 0.053 4.693 4.640 -0.000 0.000 0.243 51 D C 1.288 177.613 176.300 0.041 0.000 1.121 51 D CA -0.144 53.883 54.000 0.045 0.000 0.898 51 D CB 1.212 42.046 40.800 0.058 0.000 1.202 51 D HN 0.619 nan 8.370 nan 0.000 0.428 52 G N 1.429 110.238 108.800 0.015 0.000 2.740 52 G HA2 -0.445 3.515 3.960 -0.000 0.000 0.224 52 G HA3 -0.445 3.515 3.960 -0.000 0.000 0.224 52 G C 1.215 176.106 174.900 -0.014 0.000 1.156 52 G CA 1.606 46.699 45.100 -0.012 0.000 0.766 52 G HN 0.721 nan 8.290 nan 0.000 0.623 53 Y N 1.727 121.988 120.300 -0.065 0.000 2.151 53 Y HA -0.199 4.351 4.550 -0.000 0.000 0.284 53 Y C 3.089 178.905 175.900 -0.139 0.000 1.166 53 Y CA 2.286 60.337 58.100 -0.082 0.000 1.163 53 Y CB -0.359 38.060 38.460 -0.067 0.000 0.974 53 Y HN 0.237 nan 8.280 nan 0.000 0.511 54 S N 0.132 115.785 115.700 -0.078 0.000 2.371 54 S HA -0.141 4.329 4.470 -0.000 0.000 0.224 54 S C 1.850 176.291 174.600 -0.265 0.000 1.029 54 S CA 1.294 59.323 58.200 -0.284 0.000 0.978 54 S CB -0.222 62.975 63.200 -0.003 0.000 0.833 54 S HN 0.431 nan 8.310 nan 0.000 0.466 55 K N 1.161 121.504 120.400 -0.096 0.000 2.103 55 K HA -0.114 4.205 4.320 -0.000 0.000 0.207 55 K C 2.227 178.754 176.600 -0.121 0.000 1.048 55 K CA 1.027 57.269 56.287 -0.074 0.000 0.930 55 K CB -0.108 32.294 32.500 -0.163 0.000 0.716 55 K HN 0.236 nan 8.250 nan 0.000 0.444 56 K N 1.776 122.050 120.400 -0.210 0.000 1.984 56 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 56 K C 2.234 178.685 176.600 -0.249 0.000 1.046 56 K CA 1.527 57.681 56.287 -0.222 0.000 0.934 56 K CB -0.051 32.305 32.500 -0.241 0.000 0.717 56 K HN -0.032 nan 8.250 nan 0.000 0.438 57 K N 0.065 120.192 120.400 -0.455 0.000 2.032 57 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 57 K C 1.914 178.400 176.600 -0.190 0.000 1.048 57 K CA 1.696 57.727 56.287 -0.427 0.000 0.927 57 K CB -0.485 31.587 32.500 -0.714 0.000 0.712 57 K HN 0.349 nan 8.250 nan 0.000 0.441 58 Y N 1.005 121.277 120.300 -0.045 0.000 2.242 58 Y HA -0.160 4.390 4.550 -0.000 0.000 0.291 58 Y C 2.525 178.463 175.900 0.063 0.000 1.137 58 Y CA 0.518 58.629 58.100 0.019 0.000 1.181 58 Y CB 0.056 38.604 38.460 0.147 0.000 0.989 58 Y HN -0.146 nan 8.280 nan 0.000 0.527 59 V N -1.250 118.794 119.914 0.216 0.000 2.490 59 V HA -0.328 3.792 4.120 -0.000 0.000 0.250 59 V C 2.337 178.529 176.094 0.163 0.000 1.061 59 V CA 1.557 63.901 62.300 0.075 0.000 1.064 59 V CB -0.630 31.104 31.823 -0.149 0.000 0.670 59 V HN 0.614 nan 8.190 nan 0.000 0.461 60 C N -0.075 119.291 119.300 0.109 0.000 2.457 60 C HA -0.071 4.388 4.460 -0.000 0.000 0.278 60 C C 2.818 177.928 174.990 0.200 0.000 1.309 60 C CA 0.743 59.842 59.018 0.135 0.000 1.735 60 C CB -0.920 26.846 27.740 0.043 0.000 1.992 60 C HN 0.515 nan 8.230 nan 0.000 0.493 61 K N 0.475 120.979 120.400 0.175 0.000 2.097 61 K HA -0.093 4.226 4.320 -0.000 0.000 0.206 61 K C 1.824 178.580 176.600 0.260 0.000 1.049 61 K CA 1.255 57.677 56.287 0.225 0.000 0.933 61 K CB -0.367 32.179 32.500 0.077 0.000 0.717 61 K HN 0.536 nan 8.250 nan 0.000 0.442 62 L N 0.715 122.047 121.223 0.181 0.000 2.141 62 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 62 L C 2.421 179.415 176.870 0.207 0.000 1.094 62 L CA 0.353 55.285 54.840 0.152 0.000 0.763 62 L CB -0.369 41.750 42.059 0.101 0.000 0.908 62 L HN 0.126 nan 8.230 nan 0.000 0.437 63 L N -0.656 120.716 121.223 0.248 0.000 2.044 63 L HA -0.180 4.160 4.340 -0.000 0.000 0.205 63 L C 2.352 179.360 176.870 0.230 0.000 1.075 63 L CA 1.547 56.476 54.840 0.148 0.000 0.747 63 L CB -0.597 41.562 42.059 0.166 0.000 0.903 63 L HN 0.052 nan 8.230 nan 0.000 0.435 64 F N 0.358 120.402 119.950 0.157 0.000 2.027 64 F HA -0.318 4.209 4.527 -0.000 0.000 0.297 64 F C 2.284 178.190 175.800 0.177 0.000 1.129 64 F CA 2.347 60.441 58.000 0.158 0.000 1.195 64 F CB -0.455 38.656 39.000 0.184 0.000 0.960 64 F HN 0.077 nan 8.300 nan 0.000 0.485 65 I N -0.696 120.087 120.570 0.356 0.000 2.194 65 I HA -0.351 3.819 4.170 -0.000 0.000 0.246 65 I C 2.304 178.502 176.117 0.136 0.000 1.093 65 I CA 1.616 63.061 61.300 0.242 0.000 1.355 65 I CB -0.682 37.493 38.000 0.291 0.000 1.046 65 I HN 0.228 nan 8.210 nan 0.000 0.413 66 F N 1.254 121.196 119.950 -0.013 0.000 2.120 66 F HA -0.235 4.292 4.527 -0.000 0.000 0.300 66 F C 2.088 177.819 175.800 -0.114 0.000 1.095 66 F CA 1.741 59.698 58.000 -0.071 0.000 1.249 66 F CB -0.280 38.632 39.000 -0.148 0.000 0.995 66 F HN -0.089 nan 8.300 nan 0.000 0.480 67 L N -0.316 120.835 121.223 -0.119 0.000 2.465 67 L HA -0.115 4.224 4.340 -0.000 0.000 0.224 67 L C 1.976 178.637 176.870 -0.348 0.000 1.145 67 L CA 0.370 55.055 54.840 -0.258 0.000 0.834 67 L CB -0.450 41.503 42.059 -0.178 0.000 0.944 67 L HN 0.217 nan 8.230 nan 0.000 0.451 68 L N -1.067 119.954 121.223 -0.337 0.000 2.492 68 L HA 0.122 4.462 4.340 -0.000 0.000 0.223 68 L C 1.630 178.342 176.870 -0.262 0.000 1.132 68 L CA 0.826 55.512 54.840 -0.256 0.000 0.850 68 L CB -0.015 41.963 42.059 -0.134 0.000 0.966 68 L HN 0.443 nan 8.230 nan 0.000 0.454 69 G N -2.170 106.426 108.800 -0.340 0.000 3.180 69 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.197 69 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.197 69 G C 0.094 174.748 174.900 -0.410 0.000 1.149 69 G CA -0.451 44.386 45.100 -0.438 0.000 0.847 69 G HN 0.345 nan 8.290 nan 0.000 0.469 70 H N 1.618 120.609 119.070 -0.131 0.000 2.871 70 H HA 0.445 5.001 4.556 -0.000 0.000 0.377 70 H C -0.309 175.015 175.328 -0.007 0.000 1.307 70 H CA 0.952 56.974 56.048 -0.044 0.000 1.449 70 H CB 0.320 30.091 29.762 0.014 0.000 1.452 70 H HN 0.277 nan 8.280 nan 0.000 0.619 71 D N 0.297 120.814 120.400 0.196 0.000 2.210 71 D HA 0.257 4.897 4.640 -0.000 0.000 0.249 71 D C -0.355 176.078 176.300 0.221 0.000 1.078 71 D CA -0.273 53.842 54.000 0.192 0.000 0.875 71 D CB 0.861 41.750 40.800 0.148 0.000 1.175 71 D HN 0.212 nan 8.370 nan 0.000 0.440 72 I N 2.577 123.287 120.570 0.234 0.000 2.410 72 I HA 0.163 4.333 4.170 -0.000 0.000 0.286 72 I C -0.126 176.097 176.117 0.177 0.000 1.009 72 I CA -0.717 60.664 61.300 0.135 0.000 1.111 72 I CB 1.458 39.469 38.000 0.018 0.000 1.262 72 I HN 0.392 nan 8.210 nan 0.000 0.443 73 D N 5.100 125.662 120.400 0.270 0.000 2.479 73 D HA 0.185 4.825 4.640 -0.000 0.000 0.218 73 D C -0.120 176.464 176.300 0.473 0.000 1.177 73 D CA -0.082 54.121 54.000 0.339 0.000 0.830 73 D CB 0.088 41.047 40.800 0.266 0.000 1.014 73 D HN 0.291 nan 8.370 nan 0.000 0.503 74 F N -3.409 116.654 119.950 0.188 0.000 2.789 74 F HA 0.727 5.254 4.527 -0.000 0.000 0.319 74 F C 0.949 176.796 175.800 0.078 0.000 1.168 74 F CA -0.513 57.600 58.000 0.189 0.000 0.934 74 F CB 1.228 40.305 39.000 0.128 0.000 1.375 74 F HN -0.086 nan 8.300 nan 0.000 0.480 75 G N 0.217 109.075 108.800 0.097 0.000 2.238 75 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 75 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 75 G C 0.508 175.231 174.900 -0.296 0.000 0.996 75 G CA 0.405 45.466 45.100 -0.065 0.000 0.632 75 G HN 1.035 nan 8.290 nan 0.000 0.503 76 H N -0.449 118.607 119.070 -0.023 0.000 2.422 76 H HA 0.105 4.660 4.556 -0.000 0.000 0.298 76 H C 2.487 177.722 175.328 -0.154 0.000 1.098 76 H CA 1.975 57.994 56.048 -0.049 0.000 1.315 76 H CB -0.161 29.668 29.762 0.111 0.000 1.382 76 H HN 0.439 nan 8.280 nan 0.000 0.523 77 M N 0.668 120.273 119.600 0.008 0.000 2.200 77 M HA -0.073 4.407 4.480 -0.000 0.000 0.265 77 M C 1.434 177.618 176.300 -0.194 0.000 1.066 77 M CA 1.504 56.765 55.300 -0.065 0.000 1.127 77 M CB 0.197 32.782 32.600 -0.026 0.000 1.379 77 M HN 0.043 nan 8.290 nan 0.000 0.420 78 E N -0.135 119.878 120.200 -0.311 0.000 2.150 78 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 78 E C 1.951 178.295 176.600 -0.426 0.000 0.985 78 E CA 1.362 57.478 56.400 -0.472 0.000 0.814 78 E CB -0.454 28.723 29.700 -0.873 0.000 0.752 78 E HN 0.596 nan 8.360 nan 0.000 0.466 79 A N 0.256 122.782 122.820 -0.489 0.000 1.929 79 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 79 A C 2.359 179.757 177.584 -0.310 0.000 1.176 79 A CA 0.937 52.685 52.037 -0.482 0.000 0.628 79 A CB -0.447 18.094 19.000 -0.766 0.000 0.816 79 A HN 0.152 nan 8.150 nan 0.000 0.444 80 V N 1.286 121.054 119.914 -0.243 0.000 2.515 80 V HA -0.223 3.896 4.120 -0.000 0.000 0.250 80 V C 2.101 178.076 176.094 -0.199 0.000 1.058 80 V CA 1.909 64.092 62.300 -0.195 0.000 1.064 80 V CB -0.896 30.855 31.823 -0.120 0.000 0.675 80 V HN 0.556 nan 8.190 nan 0.000 0.461 81 N N 0.376 118.956 118.700 -0.201 0.000 2.216 81 N HA -0.044 4.696 4.740 -0.000 0.000 0.183 81 N C 1.757 177.153 175.510 -0.191 0.000 1.017 81 N CA 1.079 54.022 53.050 -0.179 0.000 0.861 81 N CB -0.295 38.087 38.487 -0.176 0.000 0.986 81 N HN 0.397 nan 8.380 nan 0.000 0.428 82 L N 1.012 122.100 121.223 -0.225 0.000 2.353 82 L HA -0.069 4.271 4.340 -0.000 0.000 0.220 82 L C 2.045 178.769 176.870 -0.243 0.000 1.133 82 L CA 0.476 55.186 54.840 -0.217 0.000 0.798 82 L CB -0.323 41.603 42.059 -0.222 0.000 0.922 82 L HN 0.141 nan 8.230 nan 0.000 0.445 83 L N -1.399 119.647 121.223 -0.294 0.000 2.217 83 L HA -0.091 4.249 4.340 -0.000 0.000 0.211 83 L C 2.152 178.888 176.870 -0.223 0.000 1.107 83 L CA 0.932 55.556 54.840 -0.360 0.000 0.783 83 L CB -0.498 41.285 42.059 -0.460 0.000 0.919 83 L HN 0.202 nan 8.230 nan 0.000 0.442 84 S N -0.777 114.817 115.700 -0.177 0.000 2.593 84 S HA -0.001 4.468 4.470 -0.000 0.000 0.217 84 S C 1.014 175.541 174.600 -0.122 0.000 0.966 84 S CA -0.058 58.066 58.200 -0.126 0.000 0.914 84 S CB 0.081 63.221 63.200 -0.100 0.000 0.776 84 S HN 0.359 nan 8.310 nan 0.000 0.523 85 S N 1.686 117.298 115.700 -0.147 0.000 2.603 85 S HA 0.220 4.690 4.470 -0.000 0.000 0.268 85 S C 0.820 175.332 174.600 -0.147 0.000 1.317 85 S CA -0.542 57.586 58.200 -0.120 0.000 1.012 85 S CB 0.407 63.538 63.200 -0.115 0.000 0.926 85 S HN 0.271 nan 8.310 nan 0.000 0.539 86 N N 1.345 120.007 118.700 -0.062 0.000 2.236 86 N HA 0.119 4.859 4.740 -0.000 0.000 0.196 86 N C -0.563 175.007 175.510 0.100 0.000 1.114 86 N CA 0.022 53.077 53.050 0.007 0.000 0.859 86 N CB 0.232 38.774 38.487 0.092 0.000 0.982 86 N HN 0.472 nan 8.380 nan 0.000 0.493 87 R N 1.276 121.799 120.500 0.038 0.000 2.235 87 R HA 0.025 4.365 4.340 -0.000 0.000 0.338 87 R C 0.710 177.075 176.300 0.107 0.000 1.087 87 R CA -0.456 55.706 56.100 0.105 0.000 0.948 87 R CB 0.083 30.418 30.300 0.058 0.000 1.099 87 R HN 0.214 nan 8.270 nan 0.000 0.483 88 Y N 4.039 124.435 120.300 0.161 0.000 2.065 88 Y HA -0.476 4.074 4.550 -0.000 0.000 0.251 88 Y C 2.327 178.280 175.900 0.088 0.000 1.258 88 Y CA 3.065 61.277 58.100 0.187 0.000 1.070 88 Y CB -0.602 37.999 38.460 0.234 0.000 0.880 88 Y HN 0.669 nan 8.280 nan 0.000 0.509 89 T N -2.296 112.179 114.554 -0.131 0.000 2.720 89 T HA -0.244 4.106 4.350 -0.000 0.000 0.268 89 T C 1.661 176.232 174.700 -0.215 0.000 1.037 89 T CA 1.845 63.797 62.100 -0.245 0.000 1.144 89 T CB -0.652 68.216 68.868 -0.001 0.000 0.864 89 T HN 0.657 nan 8.240 nan 0.000 0.444 90 E N 1.057 121.177 120.200 -0.133 0.000 2.077 90 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 90 E C 2.470 178.971 176.600 -0.165 0.000 0.989 90 E CA 1.055 57.374 56.400 -0.135 0.000 0.800 90 E CB -0.077 29.562 29.700 -0.102 0.000 0.746 90 E HN 0.571 nan 8.360 nan 0.000 0.452 91 K N 0.581 120.872 120.400 -0.182 0.000 2.057 91 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 91 K C 2.330 178.901 176.600 -0.049 0.000 1.049 91 K CA 0.962 57.165 56.287 -0.140 0.000 0.931 91 K CB -0.060 32.349 32.500 -0.153 0.000 0.714 91 K HN 0.073 nan 8.250 nan 0.000 0.440 92 Q N 1.212 120.884 119.800 -0.212 0.000 2.020 92 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 92 Q C 2.133 178.108 176.000 -0.041 0.000 0.982 92 Q CA 1.550 57.252 55.803 -0.169 0.000 0.838 92 Q CB -0.167 28.296 28.738 -0.459 0.000 0.899 92 Q HN 0.319 nan 8.270 nan 0.000 0.423 93 I N 0.399 120.914 120.570 -0.091 0.000 2.264 93 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 93 I C 2.327 178.440 176.117 -0.006 0.000 1.111 93 I CA 1.268 62.549 61.300 -0.032 0.000 1.382 93 I CB -0.533 37.429 38.000 -0.063 0.000 1.060 93 I HN 0.319 nan 8.210 nan 0.000 0.418 94 G N -0.496 108.257 108.800 -0.079 0.000 2.418 94 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 94 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 94 G C 1.530 176.376 174.900 -0.091 0.000 1.158 94 G CA 0.624 45.639 45.100 -0.142 0.000 0.771 94 G HN 0.345 nan 8.290 nan 0.000 0.545 95 Y N -0.541 119.742 120.300 -0.028 0.000 2.373 95 Y HA 0.087 4.637 4.550 -0.000 0.000 0.293 95 Y C 2.498 178.420 175.900 0.037 0.000 1.129 95 Y CA 0.398 58.498 58.100 0.001 0.000 1.226 95 Y CB 0.088 38.538 38.460 -0.017 0.000 1.000 95 Y HN 0.209 nan 8.280 nan 0.000 0.549 96 L N -1.056 120.275 121.223 0.180 0.000 2.044 96 L HA -0.151 4.189 4.340 -0.000 0.000 0.205 96 L C 2.104 179.044 176.870 0.116 0.000 1.075 96 L CA 1.526 56.444 54.840 0.130 0.000 0.747 96 L CB -0.955 41.164 42.059 0.101 0.000 0.903 96 L HN 0.224 nan 8.230 nan 0.000 0.435 97 F N 0.675 120.604 119.950 -0.035 0.000 2.095 97 F HA -0.264 4.263 4.527 -0.000 0.000 0.298 97 F C 2.287 178.036 175.800 -0.085 0.000 1.104 97 F CA 2.377 60.326 58.000 -0.085 0.000 1.232 97 F CB -0.164 38.770 39.000 -0.110 0.000 0.987 97 F HN 0.247 nan 8.300 nan 0.000 0.475 98 I N -2.656 118.061 120.570 0.244 0.000 2.761 98 I HA -0.094 4.076 4.170 -0.000 0.000 0.261 98 I C 1.915 178.066 176.117 0.056 0.000 1.198 98 I CA 1.318 62.710 61.300 0.154 0.000 1.482 98 I CB -0.644 37.428 38.000 0.120 0.000 1.100 98 I HN -0.045 nan 8.210 nan 0.000 0.445 99 S N 0.923 116.660 115.700 0.061 0.000 2.453 99 S HA 0.026 4.496 4.470 -0.000 0.000 0.231 99 S C 1.861 176.451 174.600 -0.017 0.000 1.005 99 S CA 1.142 59.369 58.200 0.046 0.000 0.949 99 S CB 0.176 63.424 63.200 0.081 0.000 0.774 99 S HN 0.413 nan 8.310 nan 0.000 0.510 100 V N 0.378 120.234 119.914 -0.096 0.000 2.788 100 V HA 0.252 4.372 4.120 -0.000 0.000 0.241 100 V C 0.037 175.924 176.094 -0.345 0.000 1.083 100 V CA 0.665 62.869 62.300 -0.159 0.000 1.103 100 V CB -0.069 31.657 31.823 -0.162 0.000 0.800 100 V HN 0.248 nan 8.190 nan 0.000 0.476 101 L N 1.195 122.095 121.223 -0.538 0.000 2.287 101 L HA 0.383 4.723 4.340 -0.000 0.000 0.280 101 L C -0.502 176.266 176.870 -0.171 0.000 1.055 101 L CA 0.237 54.744 54.840 -0.555 0.000 0.863 101 L CB 1.139 42.664 42.059 -0.889 0.000 1.245 101 L HN -0.066 nan 8.230 nan 0.000 0.432 102 V N 3.826 123.682 119.914 -0.098 0.000 2.389 102 V HA 0.287 4.407 4.120 -0.000 0.000 0.264 102 V C 0.178 176.248 176.094 -0.041 0.000 1.049 102 V CA -0.623 61.659 62.300 -0.030 0.000 0.932 102 V CB 0.763 32.578 31.823 -0.013 0.000 1.011 102 V HN 0.812 nan 8.190 nan 0.000 0.475 103 N N 3.230 121.893 118.700 -0.063 0.000 2.405 103 N HA 0.214 4.954 4.740 -0.000 0.000 0.299 103 N C 0.399 175.856 175.510 -0.088 0.000 1.075 103 N CA -0.659 52.307 53.050 -0.140 0.000 0.884 103 N CB 2.034 40.279 38.487 -0.403 0.000 1.194 103 N HN 0.336 nan 8.380 nan 0.000 0.491 104 S N 0.374 116.030 115.700 -0.074 0.000 2.607 104 S HA -0.065 4.405 4.470 -0.000 0.000 0.224 104 S C 0.757 175.330 174.600 -0.045 0.000 0.969 104 S CA -0.372 57.801 58.200 -0.044 0.000 0.927 104 S CB -0.607 62.575 63.200 -0.031 0.000 0.772 104 S HN 0.700 nan 8.310 nan 0.000 0.533 105 N N 2.800 121.460 118.700 -0.067 0.000 2.412 105 N HA -0.028 4.711 4.740 -0.000 0.000 0.279 105 N C 0.982 176.473 175.510 -0.033 0.000 1.287 105 N CA 0.227 53.246 53.050 -0.052 0.000 0.948 105 N CB 0.467 38.913 38.487 -0.067 0.000 1.255 105 N HN 0.288 nan 8.380 nan 0.000 0.485 106 S N 2.558 118.244 115.700 -0.023 0.000 2.428 106 S HA -0.260 4.210 4.470 -0.000 0.000 0.240 106 S C 1.442 176.033 174.600 -0.015 0.000 1.036 106 S CA 1.192 59.382 58.200 -0.017 0.000 1.009 106 S CB -0.067 63.124 63.200 -0.015 0.000 0.803 106 S HN 0.649 nan 8.310 nan 0.000 0.486 107 E N 1.889 122.080 120.200 -0.015 0.000 2.005 107 E HA 0.051 4.401 4.350 -0.000 0.000 0.191 107 E C 1.961 178.554 176.600 -0.012 0.000 0.987 107 E CA 1.163 57.556 56.400 -0.013 0.000 0.814 107 E CB -0.691 29.002 29.700 -0.011 0.000 0.772 107 E HN 0.541 nan 8.360 nan 0.000 0.453 108 L N 0.255 121.469 121.223 -0.015 0.000 2.051 108 L HA -0.252 4.088 4.340 -0.000 0.000 0.214 108 L C 2.501 179.369 176.870 -0.003 0.000 1.076 108 L CA 1.089 55.922 54.840 -0.012 0.000 0.758 108 L CB -0.658 41.392 42.059 -0.013 0.000 0.890 108 L HN 0.208 nan 8.230 nan 0.000 0.433 109 I N -0.387 120.182 120.570 -0.002 0.000 2.145 109 I HA -0.354 3.816 4.170 -0.000 0.000 0.244 109 I C 2.826 178.955 176.117 0.020 0.000 1.075 109 I CA 1.604 62.911 61.300 0.013 0.000 1.332 109 I CB -0.446 37.557 38.000 0.005 0.000 1.033 109 I HN 0.162 nan 8.210 nan 0.000 0.410 110 R N 0.313 120.817 120.500 0.006 0.000 2.096 110 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 110 R C 2.237 178.546 176.300 0.016 0.000 1.127 110 R CA 1.461 57.565 56.100 0.007 0.000 0.968 110 R CB -0.186 30.112 30.300 -0.004 0.000 0.861 110 R HN 0.334 nan 8.270 nan 0.000 0.440 111 L N -0.172 121.054 121.223 0.006 0.000 2.095 111 L HA -0.071 4.269 4.340 -0.000 0.000 0.204 111 L C 2.262 179.134 176.870 0.002 0.000 1.080 111 L CA 0.759 55.598 54.840 -0.002 0.000 0.759 111 L CB -0.243 41.803 42.059 -0.022 0.000 0.914 111 L HN 0.156 nan 8.230 nan 0.000 0.439 112 I N 0.232 120.805 120.570 0.006 0.000 2.163 112 I HA -0.323 3.847 4.170 -0.000 0.000 0.243 112 I C 2.162 178.339 176.117 0.100 0.000 1.085 112 I CA 1.228 62.538 61.300 0.017 0.000 1.347 112 I CB -0.469 37.549 38.000 0.031 0.000 1.044 112 I HN 0.341 nan 8.210 nan 0.000 0.408 113 N N 0.974 119.758 118.700 0.141 0.000 2.289 113 N HA -0.152 4.588 4.740 -0.000 0.000 0.184 113 N C 1.509 177.183 175.510 0.273 0.000 1.016 113 N CA 1.125 54.337 53.050 0.269 0.000 0.872 113 N CB -0.511 38.058 38.487 0.136 0.000 0.973 113 N HN 0.410 nan 8.380 nan 0.000 0.433 114 N N 0.938 119.719 118.700 0.134 0.000 2.171 114 N HA 0.004 4.744 4.740 -0.000 0.000 0.184 114 N C 1.631 177.193 175.510 0.087 0.000 1.021 114 N CA 0.939 54.051 53.050 0.104 0.000 0.854 114 N CB -0.467 38.050 38.487 0.049 0.000 0.994 114 N HN 0.183 nan 8.380 nan 0.000 0.426 115 A N 0.769 123.621 122.820 0.052 0.000 2.019 115 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 115 A C 2.248 179.876 177.584 0.073 0.000 1.164 115 A CA 0.838 52.887 52.037 0.020 0.000 0.644 115 A CB -0.568 18.393 19.000 -0.065 0.000 0.805 115 A HN 0.204 nan 8.150 nan 0.000 0.449 116 I N -1.015 119.609 120.570 0.090 0.000 2.277 116 I HA -0.185 3.985 4.170 -0.000 0.000 0.243 116 I C 2.445 178.513 176.117 -0.082 0.000 1.094 116 I CA 1.424 62.707 61.300 -0.029 0.000 1.393 116 I CB -0.160 37.712 38.000 -0.213 0.000 1.078 116 I HN 0.276 nan 8.210 nan 0.000 0.417 117 K N 0.783 121.234 120.400 0.084 0.000 2.074 117 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 117 K C 1.929 178.569 176.600 0.067 0.000 1.048 117 K CA 1.648 58.022 56.287 0.146 0.000 0.926 117 K CB -0.028 32.602 32.500 0.216 0.000 0.713 117 K HN 0.304 nan 8.250 nan 0.000 0.444 118 N N 0.729 119.465 118.700 0.060 0.000 2.250 118 N HA -0.108 4.631 4.740 -0.000 0.000 0.181 118 N C 1.219 176.764 175.510 0.059 0.000 1.017 118 N CA 1.060 54.142 53.050 0.053 0.000 0.866 118 N CB -0.093 38.419 38.487 0.043 0.000 0.985 118 N HN 0.248 nan 8.380 nan 0.000 0.429 119 D N 1.194 121.626 120.400 0.053 0.000 2.123 119 D HA -0.024 4.615 4.640 -0.000 0.000 0.200 119 D C 2.217 178.541 176.300 0.040 0.000 0.976 119 D CA 0.367 54.416 54.000 0.083 0.000 0.831 119 D CB -0.060 40.785 40.800 0.076 0.000 0.974 119 D HN 0.200 nan 8.370 nan 0.000 0.469 120 L N 0.854 122.055 121.223 -0.036 0.000 2.012 120 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 120 L C 2.515 179.380 176.870 -0.009 0.000 1.073 120 L CA 1.293 56.099 54.840 -0.057 0.000 0.748 120 L CB -0.535 41.455 42.059 -0.116 0.000 0.891 120 L HN -0.024 nan 8.230 nan 0.000 0.431 121 A N -0.151 122.680 122.820 0.017 0.000 2.119 121 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 121 A C 1.768 179.374 177.584 0.035 0.000 1.153 121 A CA 0.882 52.938 52.037 0.032 0.000 0.692 121 A CB -0.437 18.590 19.000 0.045 0.000 0.799 121 A HN 0.532 nan 8.150 nan 0.000 0.458 122 S N -0.222 115.509 115.700 0.052 0.000 2.647 122 S HA 0.242 4.712 4.470 -0.000 0.000 0.251 122 S C 0.558 175.174 174.600 0.027 0.000 1.320 122 S CA 0.139 58.377 58.200 0.063 0.000 0.968 122 S CB 0.162 63.443 63.200 0.135 0.000 1.005 122 S HN 0.455 nan 8.310 nan 0.000 0.576 123 R N 0.170 120.674 120.500 0.006 0.000 2.615 123 R HA 0.302 4.642 4.340 -0.000 0.000 0.448 123 R C -0.612 175.651 176.300 -0.061 0.000 1.009 123 R CA -0.408 55.678 56.100 -0.023 0.000 1.111 123 R CB -0.138 30.150 30.300 -0.020 0.000 1.461 123 R HN 0.595 nan 8.270 nan 0.000 0.587 124 N N 2.579 121.226 118.700 -0.088 0.000 2.406 124 N HA 0.111 4.851 4.740 -0.000 0.000 0.251 124 N C -1.657 173.740 175.510 -0.187 0.000 1.069 124 N CA -2.101 50.820 53.050 -0.214 0.000 0.947 124 N CB 1.467 39.687 38.487 -0.446 0.000 1.111 124 N HN -0.093 nan 8.380 nan 0.000 0.497 125 P HA -0.117 nan 4.420 nan 0.000 0.215 125 P C 1.043 178.269 177.300 -0.123 0.000 1.153 125 P CA 1.468 64.494 63.100 -0.124 0.000 0.853 125 P CB 0.112 31.747 31.700 -0.110 0.000 0.788 126 T N 0.036 114.494 114.554 -0.160 0.000 2.607 126 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 126 T C 1.741 176.511 174.700 0.117 0.000 1.049 126 T CA 1.456 63.513 62.100 -0.072 0.000 1.162 126 T CB -1.171 67.609 68.868 -0.146 0.000 0.863 126 T HN 0.143 nan 8.240 nan 0.000 0.424 127 F N 0.904 120.830 119.950 -0.041 0.000 2.186 127 F HA -0.043 4.484 4.527 -0.000 0.000 0.299 127 F C 2.694 178.407 175.800 -0.145 0.000 1.090 127 F CA 0.442 58.409 58.000 -0.056 0.000 1.307 127 F CB -0.570 38.429 39.000 -0.002 0.000 1.019 127 F HN 0.100 nan 8.300 nan 0.000 0.489 128 M N 0.484 120.105 119.600 0.035 0.000 2.080 128 M HA -0.157 4.323 4.480 -0.000 0.000 0.260 128 M C 2.625 178.812 176.300 -0.188 0.000 1.068 128 M CA 1.872 57.124 55.300 -0.080 0.000 1.109 128 M CB -1.269 31.281 32.600 -0.083 0.000 1.342 128 M HN 0.252 nan 8.290 nan 0.000 0.405 129 G N 0.908 109.579 108.800 -0.216 0.000 2.491 129 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 129 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 129 G C 1.481 176.018 174.900 -0.605 0.000 1.180 129 G CA 0.915 45.758 45.100 -0.427 0.000 0.774 129 G HN 0.354 nan 8.290 nan 0.000 0.562 130 L N 0.822 121.799 121.223 -0.410 0.000 2.042 130 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 130 L C 3.442 179.843 176.870 -0.782 0.000 1.076 130 L CA 1.230 55.730 54.840 -0.567 0.000 0.749 130 L CB -0.494 41.191 42.059 -0.624 0.000 0.893 130 L HN 0.314 nan 8.230 nan 0.000 0.432 131 A N 0.003 122.436 122.820 -0.645 0.000 1.877 131 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 131 A C 2.266 179.666 177.584 -0.306 0.000 1.186 131 A CA 1.573 53.327 52.037 -0.472 0.000 0.620 131 A CB -0.768 18.070 19.000 -0.270 0.000 0.822 131 A HN 0.358 nan 8.150 nan 0.000 0.443 132 L N -1.560 119.494 121.223 -0.280 0.000 2.141 132 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 132 L C 2.501 179.350 176.870 -0.035 0.000 1.094 132 L CA 1.353 56.091 54.840 -0.169 0.000 0.763 132 L CB -0.576 41.385 42.059 -0.164 0.000 0.908 132 L HN 0.563 nan 8.230 nan 0.000 0.437 133 H N -2.167 116.825 119.070 -0.129 0.000 2.326 133 H HA -0.213 4.342 4.556 -0.000 0.000 0.301 133 H C 2.501 177.794 175.328 -0.058 0.000 1.081 133 H CA 1.235 57.232 56.048 -0.084 0.000 1.334 133 H CB -0.095 29.618 29.762 -0.081 0.000 1.385 133 H HN 0.429 nan 8.280 nan 0.000 0.504 134 C N 1.172 120.500 119.300 0.046 0.000 2.401 134 C HA -0.173 4.287 4.460 -0.000 0.000 0.276 134 C C 2.655 177.698 174.990 0.089 0.000 1.233 134 C CA 0.919 60.000 59.018 0.105 0.000 1.753 134 C CB -1.250 26.622 27.740 0.221 0.000 2.029 134 C HN 0.455 nan 8.230 nan 0.000 0.478 135 I N 1.512 122.109 120.570 0.045 0.000 2.127 135 I HA -0.191 3.979 4.170 -0.000 0.000 0.241 135 I C 2.979 179.134 176.117 0.065 0.000 1.075 135 I CA 1.875 63.210 61.300 0.058 0.000 1.334 135 I CB -1.100 36.910 38.000 0.018 0.000 1.040 135 I HN 0.429 nan 8.210 nan 0.000 0.405 136 A N 1.286 124.139 122.820 0.055 0.000 1.892 136 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 136 A C 2.088 179.694 177.584 0.037 0.000 1.188 136 A CA 2.318 54.382 52.037 0.045 0.000 0.631 136 A CB -0.790 18.233 19.000 0.039 0.000 0.822 136 A HN 0.447 nan 8.150 nan 0.000 0.447 137 N N -0.091 118.633 118.700 0.041 0.000 2.028 137 N HA -0.111 4.629 4.740 -0.000 0.000 0.194 137 N C 1.779 177.311 175.510 0.038 0.000 1.050 137 N CA 1.864 54.933 53.050 0.032 0.000 0.848 137 N CB -0.806 37.704 38.487 0.039 0.000 1.038 137 N HN 0.249 nan 8.380 nan 0.000 0.423 138 V N -0.052 119.895 119.914 0.054 0.000 2.283 138 V HA 0.018 4.138 4.120 -0.000 0.000 0.243 138 V C 1.470 177.595 176.094 0.052 0.000 1.039 138 V CA 1.478 63.809 62.300 0.052 0.000 1.016 138 V CB -1.302 30.561 31.823 0.067 0.000 0.650 138 V HN 0.563 nan 8.190 nan 0.000 0.449 139 G N 1.818 110.658 108.800 0.067 0.000 2.321 139 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.287 139 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.287 139 G C 0.339 175.273 174.900 0.057 0.000 1.018 139 G CA 0.548 45.688 45.100 0.066 0.000 0.855 139 G HN 0.947 nan 8.290 nan 0.000 0.507 140 S N -1.084 114.652 115.700 0.060 0.000 2.562 140 S HA 0.435 4.905 4.470 -0.000 0.000 0.281 140 S C 1.554 176.176 174.600 0.037 0.000 1.333 140 S CA 0.500 58.725 58.200 0.042 0.000 1.052 140 S CB 1.701 64.924 63.200 0.039 0.000 0.884 140 S HN 0.630 nan 8.310 nan 0.000 0.506 141 R N 2.174 122.684 120.500 0.018 0.000 2.189 141 R HA -0.246 4.094 4.340 -0.000 0.000 0.252 141 R C 1.750 178.046 176.300 -0.007 0.000 1.134 141 R CA 2.702 58.805 56.100 0.004 0.000 0.954 141 R CB -1.180 29.117 30.300 -0.004 0.000 0.890 141 R HN 0.903 nan 8.270 nan 0.000 0.443 142 E N -0.544 119.651 120.200 -0.009 0.000 2.077 142 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 142 E C 2.122 178.686 176.600 -0.059 0.000 0.989 142 E CA 1.856 58.235 56.400 -0.036 0.000 0.800 142 E CB -0.277 29.409 29.700 -0.023 0.000 0.746 142 E HN 0.370 nan 8.360 nan 0.000 0.452 143 M N 0.217 119.830 119.600 0.022 0.000 2.080 143 M HA -0.210 4.269 4.480 -0.000 0.000 0.260 143 M C 2.305 178.656 176.300 0.084 0.000 1.068 143 M CA 1.734 57.106 55.300 0.121 0.000 1.109 143 M CB -0.276 32.466 32.600 0.237 0.000 1.342 143 M HN 0.240 nan 8.290 nan 0.000 0.405 144 A N -0.066 122.789 122.820 0.058 0.000 1.865 144 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 144 A C 1.878 179.447 177.584 -0.025 0.000 1.191 144 A CA 2.138 54.203 52.037 0.046 0.000 0.623 144 A CB -0.877 18.142 19.000 0.033 0.000 0.826 144 A HN 0.531 nan 8.150 nan 0.000 0.444 145 E N -0.542 119.616 120.200 -0.070 0.000 2.070 145 E HA -0.161 4.188 4.350 -0.000 0.000 0.197 145 E C 2.314 178.779 176.600 -0.225 0.000 1.004 145 E CA 1.240 57.575 56.400 -0.109 0.000 0.805 145 E CB -0.311 29.335 29.700 -0.091 0.000 0.744 145 E HN 0.616 nan 8.360 nan 0.000 0.451 146 A N -0.260 122.297 122.820 -0.437 0.000 1.940 146 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 146 A C 1.590 178.649 177.584 -0.874 0.000 1.176 146 A CA 1.582 53.084 52.037 -0.892 0.000 0.631 146 A CB -0.361 17.640 19.000 -1.664 0.000 0.814 146 A HN 0.345 nan 8.150 nan 0.000 0.446 147 F N -2.777 117.179 119.950 0.010 0.000 2.876 147 F HA 0.378 4.905 4.527 -0.000 0.000 0.344 147 F C 2.292 178.088 175.800 -0.007 0.000 1.029 147 F CA 0.066 58.068 58.000 0.002 0.000 1.154 147 F CB -0.098 38.904 39.000 0.004 0.000 1.040 147 F HN 0.158 nan 8.300 nan 0.000 0.576 148 A N 1.188 124.082 122.820 0.124 0.000 1.940 148 A HA -0.218 4.102 4.320 -0.000 0.000 0.221 148 A C 2.442 180.054 177.584 0.047 0.000 1.190 148 A CA 2.419 54.502 52.037 0.076 0.000 0.647 148 A CB -1.516 17.518 19.000 0.057 0.000 0.821 148 A HN 0.436 nan 8.150 nan 0.000 0.457 149 G N -1.051 107.778 108.800 0.049 0.000 2.403 149 G HA2 -0.132 3.827 3.960 -0.000 0.000 0.216 149 G HA3 -0.132 3.827 3.960 -0.000 0.000 0.216 149 G C 1.441 176.356 174.900 0.025 0.000 1.154 149 G CA 1.218 46.343 45.100 0.042 0.000 0.784 149 G HN 0.594 nan 8.290 nan 0.000 0.538 150 E N 0.399 120.632 120.200 0.056 0.000 2.152 150 E HA -0.051 4.299 4.350 -0.000 0.000 0.192 150 E C 2.380 178.976 176.600 -0.008 0.000 0.983 150 E CA 0.347 56.776 56.400 0.049 0.000 0.818 150 E CB -0.194 29.579 29.700 0.121 0.000 0.758 150 E HN 0.278 nan 8.360 nan 0.000 0.467 151 I N 1.365 121.920 120.570 -0.025 0.000 2.179 151 I HA -0.142 4.028 4.170 -0.000 0.000 0.242 151 I C -0.691 175.323 176.117 -0.171 0.000 1.088 151 I CA 0.970 62.222 61.300 -0.080 0.000 1.357 151 I CB -2.367 35.594 38.000 -0.065 0.000 1.051 151 I HN 0.131 nan 8.210 nan 0.000 0.409 152 P HA -0.200 nan 4.420 nan 0.000 0.216 152 P C 1.699 178.862 177.300 -0.228 0.000 1.157 152 P CA 1.809 64.606 63.100 -0.505 0.000 0.880 152 P CB -0.074 31.066 31.700 -0.934 0.000 0.791 153 K N -0.708 119.618 120.400 -0.123 0.000 2.020 153 K HA -0.148 4.172 4.320 -0.000 0.000 0.212 153 K C 2.121 178.702 176.600 -0.033 0.000 1.050 153 K CA 1.438 57.704 56.287 -0.036 0.000 0.929 153 K CB -0.828 31.670 32.500 -0.003 0.000 0.714 153 K HN 0.121 nan 8.250 nan 0.000 0.443 154 I N 0.716 121.258 120.570 -0.047 0.000 2.264 154 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 154 I C 2.247 178.338 176.117 -0.043 0.000 1.111 154 I CA 0.689 61.964 61.300 -0.042 0.000 1.382 154 I CB -0.148 37.820 38.000 -0.053 0.000 1.060 154 I HN 0.134 nan 8.210 nan 0.000 0.418 155 L N 0.623 121.807 121.223 -0.066 0.000 2.017 155 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 155 L C 2.391 179.258 176.870 -0.004 0.000 1.073 155 L CA 1.980 56.788 54.840 -0.053 0.000 0.745 155 L CB -0.447 41.553 42.059 -0.098 0.000 0.894 155 L HN 0.260 nan 8.230 nan 0.000 0.432 156 V N -2.565 117.358 119.914 0.016 0.000 3.235 156 V HA 0.356 4.476 4.120 -0.000 0.000 0.259 156 V C 1.399 177.523 176.094 0.050 0.000 1.133 156 V CA 0.124 62.463 62.300 0.064 0.000 1.128 156 V CB -1.688 30.204 31.823 0.114 0.000 0.757 156 V HN 0.366 nan 8.190 nan 0.000 0.469 157 A N 1.269 124.105 122.820 0.027 0.000 2.561 157 A HA 0.438 4.758 4.320 -0.000 0.000 0.234 157 A C 1.665 179.264 177.584 0.025 0.000 1.055 157 A CA 0.595 52.646 52.037 0.023 0.000 0.756 157 A CB -0.008 18.999 19.000 0.010 0.000 0.986 157 A HN 0.765 nan 8.150 nan 0.000 0.505 158 G N 0.238 109.053 108.800 0.025 0.000 2.598 158 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.215 158 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.215 158 G C 0.585 175.497 174.900 0.019 0.000 1.131 158 G CA 1.072 46.189 45.100 0.028 0.000 0.785 158 G HN 0.859 nan 8.290 nan 0.000 0.539 159 D N -0.015 120.392 120.400 0.011 0.000 2.449 159 D HA -0.014 4.626 4.640 -0.000 0.000 0.210 159 D C 0.894 177.191 176.300 -0.006 0.000 1.094 159 D CA 0.162 54.164 54.000 0.003 0.000 0.846 159 D CB -0.744 40.057 40.800 0.002 0.000 1.003 159 D HN 0.190 nan 8.370 nan 0.000 0.504 160 T N 0.670 115.218 114.554 -0.010 0.000 2.901 160 T HA 0.279 4.629 4.350 -0.000 0.000 0.301 160 T C 0.983 175.667 174.700 -0.027 0.000 1.012 160 T CA -0.858 61.228 62.100 -0.023 0.000 1.135 160 T CB 0.824 69.675 68.868 -0.029 0.000 0.936 160 T HN -0.157 nan 8.240 nan 0.000 0.539 161 M N 2.738 122.317 119.600 -0.036 0.000 2.235 161 M HA 0.028 4.508 4.480 -0.000 0.000 0.316 161 M C 1.085 177.350 176.300 -0.059 0.000 1.035 161 M CA -0.192 55.085 55.300 -0.038 0.000 1.084 161 M CB -0.443 32.130 32.600 -0.045 0.000 1.529 161 M HN 0.616 nan 8.290 nan 0.000 0.440 162 D N 0.863 121.221 120.400 -0.070 0.000 2.117 162 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 162 D C 1.920 178.097 176.300 -0.204 0.000 0.987 162 D CA 1.970 55.866 54.000 -0.173 0.000 0.829 162 D CB -0.209 40.428 40.800 -0.270 0.000 0.961 162 D HN 0.790 nan 8.370 nan 0.000 0.460 163 S N 0.174 115.797 115.700 -0.128 0.000 2.382 163 S HA -0.125 4.345 4.470 -0.000 0.000 0.228 163 S C 2.204 176.757 174.600 -0.078 0.000 1.027 163 S CA 1.021 59.169 58.200 -0.086 0.000 0.991 163 S CB -0.674 62.506 63.200 -0.034 0.000 0.823 163 S HN 0.108 nan 8.310 nan 0.000 0.469 164 V N 2.096 121.962 119.914 -0.081 0.000 2.515 164 V HA -0.088 4.032 4.120 -0.000 0.000 0.250 164 V C 2.673 178.723 176.094 -0.073 0.000 1.058 164 V CA 1.831 64.082 62.300 -0.082 0.000 1.064 164 V CB -0.654 31.122 31.823 -0.080 0.000 0.675 164 V HN 0.509 nan 8.190 nan 0.000 0.461 165 K N -0.345 120.008 120.400 -0.078 0.000 2.062 165 K HA -0.149 4.171 4.320 -0.000 0.000 0.205 165 K C 2.292 178.854 176.600 -0.063 0.000 1.051 165 K CA 1.204 57.452 56.287 -0.066 0.000 0.941 165 K CB -0.187 32.273 32.500 -0.066 0.000 0.719 165 K HN 0.514 nan 8.250 nan 0.000 0.440 166 Q N 0.374 120.125 119.800 -0.081 0.000 2.045 166 Q HA -0.169 4.170 4.340 -0.000 0.000 0.206 166 Q C 2.192 178.182 176.000 -0.017 0.000 0.991 166 Q CA 1.913 57.684 55.803 -0.055 0.000 0.851 166 Q CB -0.131 28.572 28.738 -0.057 0.000 0.911 166 Q HN 0.168 nan 8.270 nan 0.000 0.418 167 S N 0.145 115.844 115.700 -0.003 0.000 2.428 167 S HA -0.056 4.414 4.470 -0.000 0.000 0.230 167 S C 1.899 176.503 174.600 0.006 0.000 1.014 167 S CA 0.779 59.005 58.200 0.043 0.000 0.957 167 S CB -0.078 63.158 63.200 0.060 0.000 0.784 167 S HN 0.470 nan 8.310 nan 0.000 0.499 168 A N 1.415 124.216 122.820 -0.032 0.000 1.930 168 A HA 0.304 4.623 4.320 -0.000 0.000 0.215 168 A C 2.307 179.862 177.584 -0.048 0.000 1.176 168 A CA 1.313 53.321 52.037 -0.049 0.000 0.632 168 A CB -0.883 18.077 19.000 -0.066 0.000 0.819 168 A HN 0.476 nan 8.150 nan 0.000 0.445 169 A N -0.120 122.677 122.820 -0.039 0.000 1.877 169 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 169 A C 2.147 179.717 177.584 -0.023 0.000 1.186 169 A CA 1.537 53.553 52.037 -0.035 0.000 0.620 169 A CB -0.550 18.438 19.000 -0.021 0.000 0.822 169 A HN 0.453 nan 8.150 nan 0.000 0.443 170 L N -1.119 120.098 121.223 -0.011 0.000 2.131 170 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 170 L C 2.798 179.673 176.870 0.008 0.000 1.087 170 L CA 1.027 55.865 54.840 -0.003 0.000 0.767 170 L CB -0.574 41.483 42.059 -0.003 0.000 0.917 170 L HN 0.673 nan 8.230 nan 0.000 0.441 171 C N 0.245 119.552 119.300 0.012 0.000 2.413 171 C HA -0.183 4.277 4.460 -0.000 0.000 0.276 171 C C 2.761 177.762 174.990 0.017 0.000 1.248 171 C CA 0.861 59.890 59.018 0.019 0.000 1.742 171 C CB -0.663 27.083 27.740 0.011 0.000 2.017 171 C HN 0.516 nan 8.230 nan 0.000 0.481 172 L N 0.892 122.108 121.223 -0.012 0.000 2.042 172 L HA -0.029 4.310 4.340 -0.000 0.000 0.210 172 L C 2.246 179.137 176.870 0.035 0.000 1.076 172 L CA 2.076 56.903 54.840 -0.023 0.000 0.749 172 L CB -1.102 40.889 42.059 -0.114 0.000 0.893 172 L HN 0.470 nan 8.230 nan 0.000 0.432 173 L N -0.336 120.902 121.223 0.024 0.000 2.046 173 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 173 L C 2.693 179.624 176.870 0.102 0.000 1.077 173 L CA 2.023 56.895 54.840 0.052 0.000 0.747 173 L CB -0.780 41.286 42.059 0.012 0.000 0.896 173 L HN 0.363 nan 8.230 nan 0.000 0.432 174 R N -0.036 120.505 120.500 0.068 0.000 2.070 174 R HA -0.134 4.206 4.340 -0.000 0.000 0.233 174 R C 2.118 178.469 176.300 0.085 0.000 1.137 174 R CA 2.193 58.333 56.100 0.067 0.000 0.945 174 R CB -1.132 29.196 30.300 0.046 0.000 0.845 174 R HN 0.499 nan 8.270 nan 0.000 0.430 175 L N -0.536 120.741 121.223 0.090 0.000 2.131 175 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 175 L C 2.292 179.225 176.870 0.106 0.000 1.092 175 L CA 1.432 56.323 54.840 0.086 0.000 0.759 175 L CB -0.587 41.523 42.059 0.085 0.000 0.903 175 L HN 0.258 nan 8.230 nan 0.000 0.435 176 Y N 0.720 121.040 120.300 0.034 0.000 2.274 176 Y HA -0.218 4.332 4.550 -0.000 0.000 0.290 176 Y C 2.698 178.619 175.900 0.035 0.000 1.145 176 Y CA 1.411 59.540 58.100 0.048 0.000 1.203 176 Y CB -0.030 38.468 38.460 0.062 0.000 0.984 176 Y HN -0.018 nan 8.280 nan 0.000 0.533 177 R N -1.119 119.457 120.500 0.126 0.000 2.075 177 R HA -0.071 4.269 4.340 -0.000 0.000 0.226 177 R C 2.123 178.405 176.300 -0.030 0.000 1.114 177 R CA 1.827 57.953 56.100 0.044 0.000 0.972 177 R CB -0.383 29.968 30.300 0.086 0.000 0.869 177 R HN 0.231 nan 8.270 nan 0.000 0.437 178 T N -0.446 114.104 114.554 -0.007 0.000 2.896 178 T HA 0.021 4.371 4.350 -0.000 0.000 0.263 178 T C 0.660 175.338 174.700 -0.038 0.000 1.050 178 T CA 0.967 63.059 62.100 -0.014 0.000 1.140 178 T CB 0.208 69.083 68.868 0.011 0.000 0.877 178 T HN 0.029 nan 8.240 nan 0.000 0.457 179 S N 0.950 116.618 115.700 -0.053 0.000 2.359 179 S HA 0.267 4.737 4.470 -0.000 0.000 0.148 179 S C -2.122 172.416 174.600 -0.102 0.000 1.610 179 S CA -0.875 57.291 58.200 -0.057 0.000 1.274 179 S CB 1.453 64.646 63.200 -0.013 0.000 1.380 179 S HN 0.159 nan 8.310 nan 0.000 0.380 180 P HA -0.224 nan 4.420 nan 0.000 0.215 180 P C 1.428 178.659 177.300 -0.115 0.000 1.163 180 P CA 1.578 64.459 63.100 -0.365 0.000 0.894 180 P CB -0.136 31.295 31.700 -0.447 0.000 0.791 181 D N 0.070 120.430 120.400 -0.066 0.000 2.271 181 D HA -0.178 4.461 4.640 -0.000 0.000 0.207 181 D C 1.638 177.956 176.300 0.030 0.000 0.983 181 D CA 1.002 54.998 54.000 -0.006 0.000 0.878 181 D CB -0.866 39.929 40.800 -0.010 0.000 0.920 181 D HN 0.270 nan 8.370 nan 0.000 0.479 182 L N 0.352 121.593 121.223 0.030 0.000 2.591 182 L HA 0.091 4.431 4.340 -0.000 0.000 0.228 182 L C 0.549 177.489 176.870 0.117 0.000 1.133 182 L CA -0.031 54.845 54.840 0.059 0.000 0.880 182 L CB 0.691 42.773 42.059 0.039 0.000 1.033 182 L HN -0.140 nan 8.230 nan 0.000 0.450 183 V N 1.374 121.387 119.914 0.165 0.000 2.320 183 V HA 0.253 4.373 4.120 -0.000 0.000 0.257 183 V C -2.071 174.256 176.094 0.388 0.000 0.996 183 V CA -1.151 61.332 62.300 0.306 0.000 0.928 183 V CB 0.614 32.673 31.823 0.393 0.000 1.169 183 V HN 0.048 nan 8.190 nan 0.000 0.475 184 P HA 0.282 nan 4.420 nan 0.000 0.274 184 P C -0.370 177.116 177.300 0.310 0.000 1.237 184 P CA -0.471 62.786 63.100 0.262 0.000 0.793 184 P CB 0.844 32.650 31.700 0.177 0.000 0.977 185 M N 1.724 121.393 119.600 0.114 0.000 2.618 185 M HA 0.204 4.684 4.480 -0.000 0.000 0.322 185 M C 1.159 177.280 176.300 -0.298 0.000 1.471 185 M CA 0.061 55.246 55.300 -0.192 0.000 1.450 185 M CB -0.783 31.721 32.600 -0.160 0.000 1.444 185 M HN 0.472 nan 8.290 nan 0.000 0.471 186 G N 2.877 111.417 108.800 -0.432 0.000 3.229 186 G HA2 0.152 4.112 3.960 -0.000 0.000 0.165 186 G HA3 0.152 4.112 3.960 -0.000 0.000 0.165 186 G C 0.316 174.995 174.900 -0.369 0.000 1.753 186 G CA -0.020 44.955 45.100 -0.209 0.000 1.054 186 G HN 0.651 nan 8.290 nan 0.000 0.544 187 D N -1.143 119.163 120.400 -0.158 0.000 2.363 187 D HA 0.001 4.641 4.640 -0.000 0.000 0.214 187 D C 1.583 177.864 176.300 -0.032 0.000 1.093 187 D CA -0.097 53.846 54.000 -0.095 0.000 0.837 187 D CB -0.428 40.382 40.800 0.016 0.000 0.948 187 D HN 0.675 nan 8.370 nan 0.000 0.507 188 W N -0.141 121.162 121.300 0.004 0.000 3.197 188 W HA 0.243 4.903 4.660 -0.000 0.000 0.274 188 W C 0.534 177.056 176.519 0.005 0.000 1.297 188 W CA -0.121 57.234 57.345 0.017 0.000 1.662 188 W CB -1.214 28.272 29.460 0.044 0.000 1.106 188 W HN -0.184 nan 8.180 nan 0.000 0.663 189 T N 2.327 116.674 114.554 -0.344 0.000 2.624 189 T HA -0.339 4.011 4.350 -0.000 0.000 0.268 189 T C 2.201 176.823 174.700 -0.131 0.000 1.041 189 T CA 3.583 65.449 62.100 -0.389 0.000 1.159 189 T CB -0.518 67.932 68.868 -0.696 0.000 0.863 189 T HN 0.368 nan 8.240 nan 0.000 0.434 190 S N 1.048 116.690 115.700 -0.096 0.000 2.406 190 S HA -0.007 4.463 4.470 -0.000 0.000 0.228 190 S C 2.034 176.681 174.600 0.077 0.000 1.020 190 S CA 0.601 58.781 58.200 -0.034 0.000 0.965 190 S CB -0.272 62.894 63.200 -0.057 0.000 0.798 190 S HN 0.440 nan 8.310 nan 0.000 0.488 191 R N 0.385 120.949 120.500 0.107 0.000 2.189 191 R HA 0.099 4.439 4.340 -0.000 0.000 0.223 191 R C 2.120 178.558 176.300 0.230 0.000 1.092 191 R CA 1.074 57.279 56.100 0.175 0.000 0.989 191 R CB -0.456 29.933 30.300 0.148 0.000 0.876 191 R HN 0.345 nan 8.270 nan 0.000 0.457 192 V N -0.022 120.049 119.914 0.262 0.000 2.283 192 V HA -0.199 3.920 4.120 -0.000 0.000 0.243 192 V C 2.244 178.475 176.094 0.230 0.000 1.039 192 V CA 1.502 63.970 62.300 0.281 0.000 1.016 192 V CB -0.289 31.798 31.823 0.441 0.000 0.650 192 V HN 0.084 nan 8.190 nan 0.000 0.449 193 V N 0.300 120.358 119.914 0.241 0.000 2.317 193 V HA -0.382 3.737 4.120 -0.000 0.000 0.251 193 V C 2.447 178.633 176.094 0.153 0.000 1.065 193 V CA 2.754 65.169 62.300 0.191 0.000 1.049 193 V CB -1.017 30.896 31.823 0.151 0.000 0.651 193 V HN 0.771 nan 8.190 nan 0.000 0.450 194 H N -0.302 118.810 119.070 0.070 0.000 2.456 194 H HA -0.085 4.471 4.556 -0.000 0.000 0.296 194 H C 1.933 177.290 175.328 0.049 0.000 1.079 194 H CA 1.482 57.559 56.048 0.049 0.000 1.322 194 H CB -0.256 29.531 29.762 0.041 0.000 1.388 194 H HN 0.390 nan 8.280 nan 0.000 0.538 195 L N -0.002 121.224 121.223 0.005 0.000 2.265 195 L HA -0.143 4.196 4.340 -0.000 0.000 0.215 195 L C 2.021 178.840 176.870 -0.085 0.000 1.117 195 L CA 0.494 55.297 54.840 -0.062 0.000 0.782 195 L CB -0.290 41.778 42.059 0.015 0.000 0.914 195 L HN 0.375 nan 8.230 nan 0.000 0.441 196 L N -0.135 121.059 121.223 -0.048 0.000 2.450 196 L HA -0.176 4.164 4.340 -0.000 0.000 0.224 196 L C 1.437 178.261 176.870 -0.078 0.000 1.149 196 L CA 0.615 55.432 54.840 -0.039 0.000 0.816 196 L CB -0.441 41.619 42.059 0.003 0.000 0.932 196 L HN 0.401 nan 8.230 nan 0.000 0.449 197 N N -1.107 117.494 118.700 -0.164 0.000 2.280 197 N HA -0.014 4.726 4.740 -0.000 0.000 0.192 197 N C 0.428 175.849 175.510 -0.148 0.000 1.109 197 N CA 0.125 53.078 53.050 -0.161 0.000 0.855 197 N CB -0.054 38.317 38.487 -0.193 0.000 0.974 197 N HN 0.261 nan 8.380 nan 0.000 0.482 198 D N 0.861 121.177 120.400 -0.140 0.000 2.406 198 D HA -0.135 4.505 4.640 -0.000 0.000 0.234 198 D C 0.928 177.215 176.300 -0.022 0.000 1.196 198 D CA 0.426 54.382 54.000 -0.072 0.000 0.881 198 D CB 1.105 41.884 40.800 -0.036 0.000 1.205 198 D HN 0.143 nan 8.370 nan 0.000 0.453 199 Q N 1.295 121.106 119.800 0.018 0.000 2.378 199 Q HA -0.129 4.210 4.340 -0.000 0.000 0.205 199 Q C 0.185 176.222 176.000 0.062 0.000 0.954 199 Q CA 0.692 56.515 55.803 0.032 0.000 0.901 199 Q CB 0.077 28.840 28.738 0.040 0.000 0.981 199 Q HN 0.501 nan 8.270 nan 0.000 0.483 200 H N 0.090 119.146 119.070 -0.023 0.000 2.597 200 H HA 0.192 4.748 4.556 -0.000 0.000 0.303 200 H C 0.638 175.907 175.328 -0.097 0.000 1.057 200 H CA -0.436 55.609 56.048 -0.004 0.000 1.261 200 H CB 0.644 30.423 29.762 0.027 0.000 1.397 200 H HN 0.199 nan 8.280 nan 0.000 0.461 201 L N 3.655 124.801 121.223 -0.127 0.000 2.201 201 L HA -0.066 4.274 4.340 -0.000 0.000 0.212 201 L C 2.584 179.324 176.870 -0.217 0.000 1.105 201 L CA 1.071 55.659 54.840 -0.419 0.000 0.775 201 L CB -0.376 41.074 42.059 -1.015 0.000 0.913 201 L HN 0.860 nan 8.230 nan 0.000 0.440 202 G N -0.074 108.820 108.800 0.156 0.000 2.440 202 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 202 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 202 G C 1.572 176.506 174.900 0.056 0.000 1.154 202 G CA 1.028 46.276 45.100 0.248 0.000 0.767 202 G HN 0.217 nan 8.290 nan 0.000 0.552 203 V N 0.459 120.366 119.914 -0.013 0.000 2.453 203 V HA -0.138 3.982 4.120 -0.000 0.000 0.247 203 V C 3.019 179.093 176.094 -0.034 0.000 1.048 203 V CA 1.336 63.586 62.300 -0.084 0.000 1.049 203 V CB -0.177 31.578 31.823 -0.113 0.000 0.672 203 V HN 0.260 nan 8.190 nan 0.000 0.457 204 V N -0.003 119.895 119.914 -0.027 0.000 2.295 204 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 204 V C 2.564 178.644 176.094 -0.022 0.000 1.049 204 V CA 2.626 64.905 62.300 -0.034 0.000 1.024 204 V CB -1.202 30.587 31.823 -0.057 0.000 0.648 204 V HN 0.599 nan 8.190 nan 0.000 0.447 205 T N 0.656 115.196 114.554 -0.023 0.000 2.622 205 T HA -0.235 4.114 4.350 -0.000 0.000 0.266 205 T C 2.119 176.821 174.700 0.002 0.000 1.047 205 T CA 1.939 64.040 62.100 0.002 0.000 1.159 205 T CB -0.594 68.288 68.868 0.023 0.000 0.863 205 T HN 0.587 nan 8.240 nan 0.000 0.422 206 A N 1.605 124.423 122.820 -0.004 0.000 1.892 206 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 206 A C 2.664 180.244 177.584 -0.007 0.000 1.188 206 A CA 2.249 54.281 52.037 -0.009 0.000 0.631 206 A CB -1.265 17.725 19.000 -0.017 0.000 0.822 206 A HN 0.551 nan 8.150 nan 0.000 0.447 207 A N -1.350 121.468 122.820 -0.002 0.000 1.972 207 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 207 A C 2.274 179.864 177.584 0.011 0.000 1.169 207 A CA 2.269 54.314 52.037 0.014 0.000 0.635 207 A CB -1.130 17.886 19.000 0.026 0.000 0.810 207 A HN 0.467 nan 8.150 nan 0.000 0.446 208 T N -0.334 114.223 114.554 0.005 0.000 2.857 208 T HA -0.066 4.283 4.350 -0.000 0.000 0.266 208 T C 2.224 176.914 174.700 -0.016 0.000 1.048 208 T CA 1.471 63.573 62.100 0.003 0.000 1.139 208 T CB -0.234 68.640 68.868 0.010 0.000 0.874 208 T HN 0.455 nan 8.240 nan 0.000 0.455 209 S N 1.364 117.055 115.700 -0.016 0.000 2.382 209 S HA -0.035 4.435 4.470 -0.000 0.000 0.228 209 S C 1.920 176.487 174.600 -0.054 0.000 1.027 209 S CA 0.733 58.916 58.200 -0.027 0.000 0.991 209 S CB -0.393 62.797 63.200 -0.018 0.000 0.823 209 S HN 0.299 nan 8.310 nan 0.000 0.469 210 L N 1.407 122.596 121.223 -0.056 0.000 2.072 210 L HA 0.148 4.488 4.340 -0.000 0.000 0.205 210 L C 1.845 178.606 176.870 -0.182 0.000 1.079 210 L CA 1.523 56.309 54.840 -0.090 0.000 0.752 210 L CB -0.421 41.612 42.059 -0.044 0.000 0.906 210 L HN 0.244 nan 8.230 nan 0.000 0.436 211 I N -0.967 119.505 120.570 -0.163 0.000 2.353 211 I HA -0.237 3.932 4.170 -0.000 0.000 0.248 211 I C 2.181 178.105 176.117 -0.323 0.000 1.119 211 I CA 1.359 62.470 61.300 -0.315 0.000 1.417 211 I CB -0.549 37.384 38.000 -0.111 0.000 1.078 211 I HN 0.253 nan 8.210 nan 0.000 0.421 212 T N 0.169 114.622 114.554 -0.170 0.000 2.622 212 T HA -0.206 4.144 4.350 -0.000 0.000 0.266 212 T C 1.918 176.511 174.700 -0.177 0.000 1.047 212 T CA 2.278 64.295 62.100 -0.138 0.000 1.159 212 T CB -0.488 68.332 68.868 -0.079 0.000 0.863 212 T HN 0.359 nan 8.240 nan 0.000 0.422 213 T N 2.518 116.972 114.554 -0.167 0.000 2.720 213 T HA -0.020 4.330 4.350 -0.000 0.000 0.268 213 T C 1.997 176.537 174.700 -0.268 0.000 1.037 213 T CA 0.975 62.984 62.100 -0.151 0.000 1.144 213 T CB -0.506 68.299 68.868 -0.104 0.000 0.864 213 T HN 0.239 nan 8.240 nan 0.000 0.444 214 L N 0.687 121.628 121.223 -0.470 0.000 2.056 214 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 214 L C 3.087 179.687 176.870 -0.450 0.000 1.078 214 L CA 1.087 55.551 54.840 -0.626 0.000 0.749 214 L CB -0.749 40.760 42.059 -0.917 0.000 0.901 214 L HN 0.255 nan 8.230 nan 0.000 0.433 215 A N -0.313 122.237 122.820 -0.450 0.000 2.032 215 A HA -0.270 4.050 4.320 -0.000 0.000 0.221 215 A C 2.196 179.663 177.584 -0.196 0.000 1.165 215 A CA 1.606 53.491 52.037 -0.254 0.000 0.645 215 A CB -0.425 18.414 19.000 -0.268 0.000 0.807 215 A HN 0.529 nan 8.150 nan 0.000 0.453 216 Q N -0.440 119.268 119.800 -0.153 0.000 2.002 216 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 216 Q C 1.754 177.736 176.000 -0.029 0.000 0.988 216 Q CA 1.811 57.563 55.803 -0.086 0.000 0.843 216 Q CB -0.237 28.479 28.738 -0.037 0.000 0.908 216 Q HN 0.634 nan 8.270 nan 0.000 0.420 217 K N -0.149 120.269 120.400 0.029 0.000 2.356 217 K HA 0.093 4.412 4.320 -0.000 0.000 0.195 217 K C 0.297 176.947 176.600 0.084 0.000 1.037 217 K CA 0.143 56.473 56.287 0.071 0.000 1.014 217 K CB 0.487 33.064 32.500 0.129 0.000 0.815 217 K HN 0.141 nan 8.250 nan 0.000 0.507 218 N N 1.360 120.112 118.700 0.086 0.000 2.660 218 N HA 0.126 4.866 4.740 -0.000 0.000 0.316 218 N C -2.427 173.219 175.510 0.227 0.000 1.774 218 N CA -1.048 52.104 53.050 0.170 0.000 0.946 218 N CB 1.283 39.934 38.487 0.273 0.000 1.322 218 N HN -0.036 nan 8.380 nan 0.000 0.492 219 P HA -0.073 nan 4.420 nan 0.000 0.215 219 P C 1.320 178.854 177.300 0.391 0.000 1.157 219 P CA 1.185 64.393 63.100 0.180 0.000 0.859 219 P CB 0.561 32.283 31.700 0.037 0.000 0.786 220 E N 0.009 120.355 120.200 0.243 0.000 2.110 220 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 220 E C 2.022 178.688 176.600 0.110 0.000 0.988 220 E CA 1.062 57.567 56.400 0.175 0.000 0.804 220 E CB -0.616 29.142 29.700 0.097 0.000 0.745 220 E HN 0.355 nan 8.360 nan 0.000 0.458 221 E N -0.075 120.177 120.200 0.087 0.000 2.130 221 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 221 E C 0.877 177.297 176.600 -0.301 0.000 0.998 221 E CA 1.117 57.437 56.400 -0.134 0.000 0.806 221 E CB -0.117 29.487 29.700 -0.159 0.000 0.738 221 E HN 0.191 nan 8.360 nan 0.000 0.459 222 F N -0.213 119.789 119.950 0.087 0.000 2.654 222 F HA 0.322 4.849 4.527 -0.000 0.000 0.303 222 F C 1.534 177.386 175.800 0.087 0.000 1.099 222 F CA -0.264 57.798 58.000 0.104 0.000 1.270 222 F CB 0.107 39.194 39.000 0.144 0.000 1.024 222 F HN -0.083 nan 8.300 nan 0.000 0.548 223 K N 0.975 121.478 120.400 0.171 0.000 2.206 223 K HA -0.325 3.995 4.320 -0.000 0.000 0.211 223 K C 1.890 178.381 176.600 -0.181 0.000 1.047 223 K CA 2.392 58.604 56.287 -0.126 0.000 0.933 223 K CB -0.344 32.141 32.500 -0.026 0.000 0.721 223 K HN 0.420 nan 8.250 nan 0.000 0.471 224 T N -1.830 112.683 114.554 -0.068 0.000 3.035 224 T HA -0.069 4.281 4.350 -0.000 0.000 0.268 224 T C 1.898 176.576 174.700 -0.036 0.000 1.109 224 T CA 1.134 63.202 62.100 -0.054 0.000 1.119 224 T CB -0.292 68.558 68.868 -0.029 0.000 0.900 224 T HN 0.382 nan 8.240 nan 0.000 0.503 225 S N 1.150 116.848 115.700 -0.004 0.000 2.447 225 S HA -0.049 4.421 4.470 -0.000 0.000 0.233 225 S C 1.917 176.501 174.600 -0.026 0.000 1.006 225 S CA 0.611 58.832 58.200 0.035 0.000 0.957 225 S CB -0.999 62.285 63.200 0.139 0.000 0.773 225 S HN 0.350 nan 8.310 nan 0.000 0.507 226 V N 1.873 121.702 119.914 -0.143 0.000 2.219 226 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 226 V C 3.002 179.069 176.094 -0.045 0.000 1.053 226 V CA 2.283 64.508 62.300 -0.124 0.000 1.009 226 V CB -1.347 30.340 31.823 -0.227 0.000 0.636 226 V HN 0.685 nan 8.190 nan 0.000 0.445 227 S N -0.771 114.898 115.700 -0.050 0.000 2.374 227 S HA -0.171 4.299 4.470 -0.000 0.000 0.227 227 S C 1.902 176.498 174.600 -0.006 0.000 1.037 227 S CA 1.852 60.039 58.200 -0.022 0.000 1.024 227 S CB -0.364 62.822 63.200 -0.023 0.000 0.861 227 S HN 0.461 nan 8.310 nan 0.000 0.456 228 L N 0.786 122.008 121.223 -0.002 0.000 2.056 228 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 228 L C 2.957 179.832 176.870 0.009 0.000 1.078 228 L CA 1.198 56.043 54.840 0.008 0.000 0.749 228 L CB -0.854 41.215 42.059 0.017 0.000 0.901 228 L HN 0.412 nan 8.230 nan 0.000 0.433 229 A N -0.227 122.602 122.820 0.015 0.000 1.933 229 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 229 A C 2.332 179.927 177.584 0.020 0.000 1.175 229 A CA 1.730 53.780 52.037 0.021 0.000 0.628 229 A CB -0.698 18.323 19.000 0.036 0.000 0.814 229 A HN 0.207 nan 8.150 nan 0.000 0.444 230 V N 0.710 120.635 119.914 0.019 0.000 2.283 230 V HA -0.221 3.898 4.120 -0.000 0.000 0.243 230 V C 2.904 179.006 176.094 0.014 0.000 1.039 230 V CA 2.301 64.613 62.300 0.021 0.000 1.016 230 V CB -0.931 30.905 31.823 0.021 0.000 0.650 230 V HN 0.720 nan 8.190 nan 0.000 0.449 231 S N 0.190 115.896 115.700 0.009 0.000 2.383 231 S HA -0.231 4.239 4.470 -0.000 0.000 0.229 231 S C 2.054 176.657 174.600 0.006 0.000 1.030 231 S CA 1.132 59.336 58.200 0.007 0.000 1.002 231 S CB -0.434 62.770 63.200 0.005 0.000 0.829 231 S HN 0.412 nan 8.310 nan 0.000 0.467 232 R N 0.656 121.159 120.500 0.004 0.000 2.073 232 R HA 0.163 4.503 4.340 -0.000 0.000 0.229 232 R C 2.330 178.633 176.300 0.004 0.000 1.120 232 R CA 0.772 56.872 56.100 0.000 0.000 0.967 232 R CB -1.274 29.022 30.300 -0.006 0.000 0.862 232 R HN 0.420 nan 8.270 nan 0.000 0.436 233 L N 1.256 122.485 121.223 0.009 0.000 1.989 233 L HA -0.200 4.140 4.340 -0.000 0.000 0.211 233 L C 2.407 179.284 176.870 0.012 0.000 1.071 233 L CA 2.459 57.306 54.840 0.011 0.000 0.749 233 L CB -0.979 41.089 42.059 0.016 0.000 0.890 233 L HN 0.243 nan 8.230 nan 0.000 0.431 234 S N -0.870 114.838 115.700 0.013 0.000 2.382 234 S HA -0.212 4.258 4.470 -0.000 0.000 0.228 234 S C 2.144 176.751 174.600 0.012 0.000 1.027 234 S CA 1.014 59.221 58.200 0.012 0.000 0.991 234 S CB -0.594 62.614 63.200 0.012 0.000 0.823 234 S HN 0.535 nan 8.310 nan 0.000 0.469 235 R N 0.457 120.963 120.500 0.011 0.000 2.096 235 R HA 0.099 4.439 4.340 -0.000 0.000 0.235 235 R C 2.293 178.603 176.300 0.016 0.000 1.127 235 R CA 1.682 57.789 56.100 0.012 0.000 0.968 235 R CB -0.581 29.724 30.300 0.009 0.000 0.861 235 R HN 0.482 nan 8.270 nan 0.000 0.440 236 I N 0.413 120.992 120.570 0.015 0.000 2.202 236 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 236 I C 2.318 178.451 176.117 0.027 0.000 1.091 236 I CA 1.167 62.480 61.300 0.021 0.000 1.368 236 I CB -0.212 37.797 38.000 0.016 0.000 1.058 236 I HN 0.056 nan 8.210 nan 0.000 0.410 237 V N -2.011 117.916 119.914 0.021 0.000 2.970 237 V HA -0.105 4.015 4.120 -0.000 0.000 0.260 237 V C 2.110 178.219 176.094 0.025 0.000 1.100 237 V CA 1.840 64.153 62.300 0.022 0.000 1.122 237 V CB -1.317 30.514 31.823 0.013 0.000 0.721 237 V HN 0.600 nan 8.190 nan 0.000 0.483 238 T N -1.407 113.161 114.554 0.024 0.000 3.023 238 T HA 0.129 4.479 4.350 -0.000 0.000 0.249 238 T C 1.196 175.913 174.700 0.028 0.000 1.050 238 T CA 0.620 62.734 62.100 0.023 0.000 1.088 238 T CB -0.528 68.350 68.868 0.017 0.000 0.946 238 T HN 0.863 nan 8.240 nan 0.000 0.480 239 S N 1.865 117.584 115.700 0.031 0.000 2.554 239 S HA 0.491 4.961 4.470 -0.000 0.000 0.290 239 S C 0.864 175.489 174.600 0.043 0.000 1.309 239 S CA -0.415 57.806 58.200 0.036 0.000 1.047 239 S CB 0.210 63.434 63.200 0.040 0.000 0.828 239 S HN 0.793 nan 8.310 nan 0.000 0.509 240 A N 2.740 125.584 122.820 0.041 0.000 2.495 240 A HA 0.499 4.819 4.320 -0.000 0.000 0.260 240 A C 1.630 179.251 177.584 0.061 0.000 1.608 240 A CA 0.126 52.190 52.037 0.044 0.000 0.834 240 A CB -0.672 18.348 19.000 0.034 0.000 1.526 240 A HN 0.965 nan 8.150 nan 0.000 0.578 241 S N -0.772 114.967 115.700 0.064 0.000 2.501 241 S HA 0.001 4.471 4.470 -0.000 0.000 0.220 241 S C 1.157 175.795 174.600 0.062 0.000 0.997 241 S CA 1.032 59.282 58.200 0.084 0.000 0.919 241 S CB -0.163 63.096 63.200 0.099 0.000 0.778 241 S HN 0.901 nan 8.310 nan 0.000 0.523 242 T N 0.186 114.768 114.554 0.046 0.000 3.264 242 T HA 0.352 4.702 4.350 -0.000 0.000 0.257 242 T C -0.717 174.003 174.700 0.033 0.000 0.976 242 T CA -0.476 61.644 62.100 0.034 0.000 0.908 242 T CB -0.041 68.843 68.868 0.026 0.000 1.082 242 T HN -0.101 nan 8.240 nan 0.000 0.567 243 D N 0.893 121.319 120.400 0.043 0.000 2.738 243 D HA 0.469 5.109 4.640 -0.000 0.000 0.237 243 D C 0.354 176.691 176.300 0.062 0.000 1.123 243 D CA -0.925 53.102 54.000 0.046 0.000 0.856 243 D CB 1.734 42.560 40.800 0.043 0.000 1.552 243 D HN 0.148 nan 8.370 nan 0.000 0.480 244 L N 1.575 122.841 121.223 0.072 0.000 3.660 244 L HA -0.302 4.038 4.340 -0.000 0.000 0.440 244 L C 1.196 178.132 176.870 0.109 0.000 1.262 244 L CA 0.289 55.200 54.840 0.118 0.000 0.837 244 L CB -1.254 40.882 42.059 0.128 0.000 1.689 244 L HN 0.537 nan 8.230 nan 0.000 0.890 245 Q N -0.290 119.545 119.800 0.058 0.000 2.230 245 Q HA -0.144 4.195 4.340 -0.000 0.000 0.202 245 Q C 1.670 177.656 176.000 -0.023 0.000 0.963 245 Q CA 1.530 57.342 55.803 0.015 0.000 0.866 245 Q CB 0.124 28.858 28.738 -0.006 0.000 0.931 245 Q HN 0.545 nan 8.270 nan 0.000 0.452 246 D N -0.174 120.202 120.400 -0.040 0.000 2.116 246 D HA -0.180 4.460 4.640 -0.000 0.000 0.193 246 D C 0.453 176.558 176.300 -0.325 0.000 0.998 246 D CA 1.410 55.288 54.000 -0.203 0.000 0.836 246 D CB -0.034 40.627 40.800 -0.232 0.000 0.951 246 D HN 0.331 nan 8.370 nan 0.000 0.449 247 Y N -0.119 120.211 120.300 0.050 0.000 2.683 247 Y HA 0.235 4.785 4.550 -0.000 0.000 0.297 247 Y C 0.197 176.177 175.900 0.133 0.000 1.147 247 Y CA -0.066 58.099 58.100 0.108 0.000 1.274 247 Y CB 0.410 38.929 38.460 0.098 0.000 1.143 247 Y HN -0.311 nan 8.280 nan 0.000 0.527 248 T N 0.610 115.257 114.554 0.156 0.000 2.758 248 T HA 0.210 4.560 4.350 -0.000 0.000 0.285 248 T C -1.547 173.227 174.700 0.124 0.000 0.981 248 T CA -0.375 61.803 62.100 0.129 0.000 0.965 248 T CB 0.450 69.352 68.868 0.057 0.000 0.927 248 T HN 0.161 nan 8.240 nan 0.000 0.448 249 Y N 3.268 123.592 120.300 0.039 0.000 2.338 249 Y HA 0.355 4.905 4.550 -0.000 0.000 0.328 249 Y C -0.543 175.440 175.900 0.139 0.000 0.965 249 Y CA -1.455 56.695 58.100 0.083 0.000 1.208 249 Y CB 0.331 38.917 38.460 0.211 0.000 1.132 249 Y HN 0.780 nan 8.280 nan 0.000 0.469 250 Y N 7.113 127.131 120.300 -0.470 0.000 3.037 250 Y HA -0.382 4.168 4.550 -0.000 0.000 0.204 250 Y C 0.500 176.421 175.900 0.034 0.000 1.275 250 Y CA 1.520 59.397 58.100 -0.372 0.000 1.066 250 Y CB -2.149 36.105 38.460 -0.342 0.000 1.305 250 Y HN 0.842 nan 8.280 nan 0.000 0.499 251 F N -4.291 115.716 119.950 0.096 0.000 2.935 251 F HA -0.329 4.198 4.527 -0.000 0.000 0.317 251 F C 0.416 176.330 175.800 0.190 0.000 0.699 251 F CA 0.582 58.652 58.000 0.117 0.000 1.127 251 F CB -1.740 37.287 39.000 0.045 0.000 1.491 251 F HN -0.049 nan 8.300 nan 0.000 0.337 252 V N 2.306 122.411 119.914 0.317 0.000 2.370 252 V HA 0.355 4.475 4.120 -0.000 0.000 0.279 252 V C -1.595 174.585 176.094 0.143 0.000 1.029 252 V CA -1.712 60.707 62.300 0.198 0.000 0.870 252 V CB 1.330 33.218 31.823 0.108 0.000 0.984 252 V HN -0.194 nan 8.190 nan 0.000 0.451 253 P HA 0.161 nan 4.420 nan 0.000 0.275 253 P C 0.055 177.407 177.300 0.086 0.000 1.227 253 P CA 0.012 63.177 63.100 0.109 0.000 0.781 253 P CB 0.913 32.667 31.700 0.091 0.000 0.906 254 A N 4.863 127.767 122.820 0.139 0.000 1.600 254 A HA -0.152 4.168 4.320 -0.000 0.000 0.269 254 A C -1.206 176.397 177.584 0.031 0.000 1.116 254 A CA 0.018 52.146 52.037 0.151 0.000 1.028 254 A CB -1.811 17.262 19.000 0.121 0.000 1.026 254 A HN 0.451 nan 8.150 nan 0.000 0.277 255 P HA -0.112 nan 4.420 nan 0.000 0.216 255 P C 1.514 178.635 177.300 -0.298 0.000 1.153 255 P CA 1.109 64.012 63.100 -0.330 0.000 0.844 255 P CB -0.070 31.215 31.700 -0.691 0.000 0.787 256 W N -0.627 120.685 121.300 0.020 0.000 2.409 256 W HA 0.010 4.670 4.660 -0.000 0.000 0.299 256 W C 1.986 178.506 176.519 0.001 0.000 1.203 256 W CA 0.164 57.509 57.345 0.000 0.000 1.298 256 W CB -1.337 28.115 29.460 -0.013 0.000 1.127 256 W HN -0.056 nan 8.180 nan 0.000 0.528 257 L N 1.250 122.604 121.223 0.217 0.000 2.083 257 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 257 L C 2.318 179.219 176.870 0.051 0.000 1.083 257 L CA 2.100 56.998 54.840 0.096 0.000 0.752 257 L CB -1.049 41.030 42.059 0.033 0.000 0.899 257 L HN -0.274 nan 8.230 nan 0.000 0.433 258 S N -1.081 114.637 115.700 0.030 0.000 2.356 258 S HA -0.161 4.309 4.470 -0.000 0.000 0.223 258 S C 2.002 176.607 174.600 0.009 0.000 1.032 258 S CA 1.415 59.619 58.200 0.007 0.000 1.005 258 S CB -0.609 62.582 63.200 -0.015 0.000 0.867 258 S HN 0.343 nan 8.310 nan 0.000 0.449 259 V N 2.364 122.282 119.914 0.007 0.000 2.287 259 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 259 V C 2.360 178.474 176.094 0.034 0.000 1.053 259 V CA 1.720 64.031 62.300 0.020 0.000 1.027 259 V CB -0.603 31.238 31.823 0.029 0.000 0.646 259 V HN 0.443 nan 8.190 nan 0.000 0.447 260 K N -0.393 120.039 120.400 0.053 0.000 2.057 260 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 260 K C 2.111 178.725 176.600 0.023 0.000 1.049 260 K CA 1.341 57.652 56.287 0.040 0.000 0.931 260 K CB -0.320 32.211 32.500 0.051 0.000 0.714 260 K HN 0.381 nan 8.250 nan 0.000 0.440 261 L N 0.729 121.966 121.223 0.024 0.000 2.046 261 L HA -0.179 4.160 4.340 -0.000 0.000 0.208 261 L C 2.229 179.110 176.870 0.018 0.000 1.077 261 L CA 1.011 55.864 54.840 0.022 0.000 0.747 261 L CB -0.396 41.674 42.059 0.019 0.000 0.896 261 L HN 0.138 nan 8.230 nan 0.000 0.432 262 L N -0.659 120.570 121.223 0.010 0.000 2.275 262 L HA -0.146 4.194 4.340 -0.000 0.000 0.215 262 L C 2.634 179.487 176.870 -0.029 0.000 1.119 262 L CA 0.573 55.410 54.840 -0.004 0.000 0.790 262 L CB -0.354 41.703 42.059 -0.003 0.000 0.919 262 L HN 0.173 nan 8.230 nan 0.000 0.443 263 R N 0.270 120.757 120.500 -0.021 0.000 2.080 263 R HA -0.065 4.275 4.340 -0.000 0.000 0.222 263 R C 2.030 178.301 176.300 -0.049 0.000 1.107 263 R CA 0.967 57.041 56.100 -0.045 0.000 0.980 263 R CB -0.605 29.680 30.300 -0.024 0.000 0.879 263 R HN 0.131 nan 8.270 nan 0.000 0.439 264 L N 0.667 121.885 121.223 -0.009 0.000 2.013 264 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 264 L C 1.733 178.648 176.870 0.076 0.000 1.073 264 L CA 1.853 56.709 54.840 0.027 0.000 0.753 264 L CB -0.673 41.420 42.059 0.057 0.000 0.890 264 L HN 0.304 nan 8.230 nan 0.000 0.432 265 L N -1.001 120.263 121.223 0.067 0.000 2.353 265 L HA -0.193 4.147 4.340 -0.000 0.000 0.220 265 L C 2.332 179.199 176.870 -0.005 0.000 1.133 265 L CA 0.745 55.652 54.840 0.111 0.000 0.798 265 L CB -0.488 41.619 42.059 0.080 0.000 0.922 265 L HN 0.445 nan 8.230 nan 0.000 0.445 266 Q N -1.265 118.419 119.800 -0.194 0.000 2.482 266 Q HA -0.090 4.250 4.340 -0.000 0.000 0.209 266 Q C 2.080 177.815 176.000 -0.441 0.000 0.961 266 Q CA 0.539 56.001 55.803 -0.568 0.000 0.945 266 Q CB -0.037 28.385 28.738 -0.526 0.000 1.012 266 Q HN 0.576 nan 8.270 nan 0.000 0.515 267 C N -0.282 118.896 119.300 -0.203 0.000 2.522 267 C HA 0.075 4.535 4.460 -0.000 0.000 0.271 267 C C 0.425 175.196 174.990 -0.364 0.000 1.425 267 C CA -0.060 58.776 59.018 -0.303 0.000 1.751 267 C CB -1.015 26.450 27.740 -0.457 0.000 1.775 267 C HN 0.311 nan 8.230 nan 0.000 0.557 268 Y N -0.466 119.918 120.300 0.139 0.000 2.576 268 Y HA 0.475 5.025 4.550 -0.000 0.000 0.346 268 Y C -2.403 173.727 175.900 0.384 0.000 1.018 268 Y CA -2.497 55.731 58.100 0.213 0.000 1.050 268 Y CB 0.814 39.368 38.460 0.156 0.000 1.280 268 Y HN -0.184 nan 8.280 nan 0.000 0.474 269 P HA 0.176 nan 4.420 nan 0.000 0.275 269 P C -2.669 174.772 177.300 0.234 0.000 1.266 269 P CA -1.331 61.965 63.100 0.326 0.000 0.793 269 P CB -0.164 31.633 31.700 0.161 0.000 1.074 270 P HA 0.038 nan 4.420 nan 0.000 0.263 270 P C -2.256 174.981 177.300 -0.105 0.000 1.175 270 P CA -0.293 62.539 63.100 -0.447 0.000 0.761 270 P CB -1.373 30.065 31.700 -0.436 0.000 0.794 271 P HA -0.098 nan 4.420 nan 0.000 0.263 271 P C 0.725 178.001 177.300 -0.040 0.000 1.168 271 P CA 0.740 63.823 63.100 -0.029 0.000 0.759 271 P CB 0.329 32.017 31.700 -0.020 0.000 0.782 272 E N 1.173 121.355 120.200 -0.031 0.000 2.170 272 E HA -0.081 4.268 4.350 -0.000 0.000 0.191 272 E C 0.575 177.160 176.600 -0.025 0.000 0.981 272 E CA 0.382 56.768 56.400 -0.024 0.000 0.830 272 E CB -0.015 29.677 29.700 -0.014 0.000 0.775 272 E HN 0.554 nan 8.360 nan 0.000 0.470 273 D N 1.935 122.319 120.400 -0.026 0.000 2.346 273 D HA 0.001 4.641 4.640 -0.000 0.000 0.260 273 D C -1.820 174.467 176.300 -0.022 0.000 1.252 273 D CA -1.863 52.124 54.000 -0.022 0.000 0.895 273 D CB 1.420 42.207 40.800 -0.022 0.000 1.097 273 D HN -0.183 nan 8.370 nan 0.000 0.489 274 P HA -0.137 nan 4.420 nan 0.000 0.217 274 P C 1.091 178.380 177.300 -0.019 0.000 1.148 274 P CA 1.506 64.593 63.100 -0.022 0.000 0.828 274 P CB 0.179 31.868 31.700 -0.019 0.000 0.783 275 A N -0.561 122.250 122.820 -0.015 0.000 1.883 275 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 275 A C 2.348 179.925 177.584 -0.010 0.000 1.186 275 A CA 2.010 54.040 52.037 -0.012 0.000 0.624 275 A CB -1.722 17.273 19.000 -0.009 0.000 0.822 275 A HN 0.031 nan 8.150 nan 0.000 0.444 276 V N 0.034 119.941 119.914 -0.012 0.000 2.255 276 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 276 V C 2.675 178.765 176.094 -0.007 0.000 1.051 276 V CA 2.437 64.732 62.300 -0.009 0.000 1.018 276 V CB -0.811 31.004 31.823 -0.014 0.000 0.641 276 V HN 0.655 nan 8.190 nan 0.000 0.445 277 R N -0.021 120.469 120.500 -0.017 0.000 2.096 277 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 277 R C 2.328 178.618 176.300 -0.016 0.000 1.127 277 R CA 1.588 57.673 56.100 -0.024 0.000 0.968 277 R CB -0.712 29.559 30.300 -0.047 0.000 0.861 277 R HN 0.579 nan 8.270 nan 0.000 0.440 278 G N 0.563 109.354 108.800 -0.015 0.000 2.480 278 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.216 278 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.216 278 G C 1.432 176.330 174.900 -0.003 0.000 1.200 278 G CA 0.886 45.979 45.100 -0.011 0.000 0.782 278 G HN 0.315 nan 8.290 nan 0.000 0.554 279 R N -0.517 119.982 120.500 -0.000 0.000 2.112 279 R HA -0.132 4.207 4.340 -0.000 0.000 0.242 279 R C 2.552 178.859 176.300 0.012 0.000 1.137 279 R CA 1.789 57.892 56.100 0.005 0.000 0.944 279 R CB -0.552 29.751 30.300 0.006 0.000 0.857 279 R HN 0.345 nan 8.270 nan 0.000 0.435 280 L N 0.480 121.715 121.223 0.019 0.000 2.042 280 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 280 L C 1.926 178.816 176.870 0.034 0.000 1.076 280 L CA 2.194 57.056 54.840 0.037 0.000 0.749 280 L CB -0.729 41.367 42.059 0.062 0.000 0.893 280 L HN 0.252 nan 8.230 nan 0.000 0.432 281 T N -0.893 113.673 114.554 0.020 0.000 2.708 281 T HA -0.192 4.157 4.350 -0.000 0.000 0.266 281 T C 1.683 176.388 174.700 0.007 0.000 1.037 281 T CA 1.610 63.717 62.100 0.012 0.000 1.146 281 T CB -0.300 68.566 68.868 -0.003 0.000 0.865 281 T HN 0.406 nan 8.240 nan 0.000 0.435 282 E N 0.127 120.330 120.200 0.004 0.000 2.097 282 E HA -0.162 4.188 4.350 -0.000 0.000 0.196 282 E C 2.439 179.042 176.600 0.006 0.000 1.000 282 E CA 1.214 57.616 56.400 0.003 0.000 0.804 282 E CB -0.422 29.279 29.700 0.002 0.000 0.740 282 E HN 0.411 nan 8.360 nan 0.000 0.454 283 C N 0.167 119.473 119.300 0.011 0.000 2.413 283 C HA -0.142 4.318 4.460 -0.000 0.000 0.278 283 C C 2.518 177.515 174.990 0.011 0.000 1.224 283 C CA 0.753 59.779 59.018 0.013 0.000 1.732 283 C CB -0.976 26.776 27.740 0.019 0.000 2.050 283 C HN 0.411 nan 8.230 nan 0.000 0.463 284 L N 0.268 121.501 121.223 0.017 0.000 2.079 284 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 284 L C 2.658 179.528 176.870 0.000 0.000 1.081 284 L CA 1.700 56.548 54.840 0.013 0.000 0.752 284 L CB -0.767 41.309 42.059 0.028 0.000 0.896 284 L HN 0.494 nan 8.230 nan 0.000 0.433 285 E N -0.805 119.394 120.200 -0.001 0.000 2.208 285 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 285 E C 2.115 178.710 176.600 -0.008 0.000 0.988 285 E CA 1.359 57.754 56.400 -0.008 0.000 0.828 285 E CB -0.013 29.682 29.700 -0.008 0.000 0.763 285 E HN 0.463 nan 8.360 nan 0.000 0.478 286 T N 1.559 116.111 114.554 -0.003 0.000 2.777 286 T HA -0.099 4.250 4.350 -0.000 0.000 0.266 286 T C 2.009 176.706 174.700 -0.004 0.000 1.040 286 T CA 0.804 62.903 62.100 -0.002 0.000 1.141 286 T CB -0.129 68.741 68.868 0.004 0.000 0.868 286 T HN 0.089 nan 8.240 nan 0.000 0.444 287 I N 0.616 121.181 120.570 -0.007 0.000 2.226 287 I HA -0.138 4.032 4.170 -0.000 0.000 0.245 287 I C 2.180 178.282 176.117 -0.026 0.000 1.100 287 I CA 1.159 62.450 61.300 -0.015 0.000 1.374 287 I CB -0.350 37.638 38.000 -0.019 0.000 1.057 287 I HN 0.175 nan 8.210 nan 0.000 0.413 288 L N 0.336 121.542 121.223 -0.029 0.000 2.056 288 L HA -0.197 4.143 4.340 -0.000 0.000 0.207 288 L C 2.321 179.168 176.870 -0.038 0.000 1.078 288 L CA 1.122 55.936 54.840 -0.042 0.000 0.749 288 L CB -0.705 41.330 42.059 -0.040 0.000 0.901 288 L HN 0.287 nan 8.230 nan 0.000 0.433 289 N N 0.147 118.832 118.700 -0.025 0.000 2.036 289 N HA -0.199 4.541 4.740 -0.000 0.000 0.195 289 N C 1.716 177.218 175.510 -0.013 0.000 1.037 289 N CA 1.210 54.249 53.050 -0.019 0.000 0.855 289 N CB -0.291 38.190 38.487 -0.010 0.000 1.033 289 N HN 0.192 nan 8.380 nan 0.000 0.423 290 K N 1.090 121.486 120.400 -0.006 0.000 2.211 290 K HA 0.006 4.326 4.320 -0.000 0.000 0.204 290 K C 1.863 178.468 176.600 0.008 0.000 1.047 290 K CA 0.797 57.088 56.287 0.007 0.000 0.935 290 K CB -0.466 32.040 32.500 0.010 0.000 0.728 290 K HN 0.217 nan 8.250 nan 0.000 0.452 291 A N 1.287 124.101 122.820 -0.010 0.000 1.972 291 A HA -0.184 4.135 4.320 -0.000 0.000 0.219 291 A C 1.976 179.554 177.584 -0.010 0.000 1.169 291 A CA 1.262 53.295 52.037 -0.007 0.000 0.635 291 A CB -0.282 18.686 19.000 -0.053 0.000 0.810 291 A HN 0.409 nan 8.150 nan 0.000 0.446 292 Q N -0.164 119.622 119.800 -0.024 0.000 2.424 292 Q HA 0.064 4.404 4.340 -0.000 0.000 0.204 292 Q C -0.146 175.854 176.000 -0.000 0.000 0.933 292 Q CA 0.107 55.895 55.803 -0.025 0.000 0.929 292 Q CB 0.238 28.955 28.738 -0.034 0.000 1.037 292 Q HN 0.683 nan 8.270 nan 0.000 0.511 293 E N 2.538 122.746 120.200 0.013 0.000 2.313 293 E HA 0.132 4.481 4.350 -0.000 0.000 0.276 293 E C -2.198 174.426 176.600 0.040 0.000 1.031 293 E CA -1.897 54.516 56.400 0.021 0.000 0.857 293 E CB 0.644 30.359 29.700 0.025 0.000 1.040 293 E HN 0.051 nan 8.360 nan 0.000 0.408 294 P HA 0.159 nan 4.420 nan 0.000 0.274 294 P C -2.563 174.774 177.300 0.062 0.000 1.256 294 P CA -1.320 61.805 63.100 0.042 0.000 0.795 294 P CB -0.339 31.370 31.700 0.015 0.000 1.038 295 P HA 0.089 nan 4.420 nan 0.000 0.267 295 P C 0.440 177.693 177.300 -0.078 0.000 1.200 295 P CA 0.261 63.432 63.100 0.118 0.000 0.772 295 P CB 0.245 32.018 31.700 0.122 0.000 0.855 296 K N 0.012 120.219 120.400 -0.321 0.000 2.374 296 K HA 0.230 4.550 4.320 -0.000 0.000 0.196 296 K C 0.390 176.608 176.600 -0.638 0.000 1.023 296 K CA 0.193 56.131 56.287 -0.583 0.000 1.103 296 K CB 0.383 32.396 32.500 -0.812 0.000 0.848 296 K HN 0.359 nan 8.250 nan 0.000 0.528 297 S N 0.324 115.783 115.700 -0.402 0.000 2.542 297 S HA 0.206 4.676 4.470 -0.000 0.000 0.276 297 S C -0.507 174.099 174.600 0.010 0.000 1.148 297 S CA -0.824 57.306 58.200 -0.116 0.000 0.886 297 S CB 1.304 64.556 63.200 0.087 0.000 1.109 297 S HN 0.086 nan 8.310 nan 0.000 0.458 298 K N 1.727 122.152 120.400 0.041 0.000 2.487 298 K HA 0.139 4.459 4.320 -0.000 0.000 0.192 298 K C 0.005 176.646 176.600 0.069 0.000 1.027 298 K CA 0.178 56.499 56.287 0.056 0.000 1.054 298 K CB 0.043 32.564 32.500 0.036 0.000 0.824 298 K HN 0.377 nan 8.250 nan 0.000 0.510 299 K N 1.591 122.041 120.400 0.083 0.000 2.339 299 K HA 0.028 4.348 4.320 -0.000 0.000 0.286 299 K C 1.089 177.697 176.600 0.014 0.000 1.050 299 K CA -0.227 56.082 56.287 0.036 0.000 0.956 299 K CB 1.590 34.106 32.500 0.027 0.000 0.990 299 K HN -0.183 nan 8.250 nan 0.000 0.475 300 V N 4.039 123.949 119.914 -0.006 0.000 2.546 300 V HA -0.315 3.805 4.120 -0.000 0.000 0.254 300 V C 1.603 177.657 176.094 -0.066 0.000 1.076 300 V CA 1.934 64.230 62.300 -0.006 0.000 1.087 300 V CB -0.212 31.611 31.823 -0.001 0.000 0.674 300 V HN 0.752 nan 8.190 nan 0.000 0.470 301 Q N -0.665 119.009 119.800 -0.209 0.000 2.135 301 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 301 Q C 1.999 177.885 176.000 -0.190 0.000 0.981 301 Q CA 2.266 57.873 55.803 -0.327 0.000 0.856 301 Q CB -0.478 27.707 28.738 -0.922 0.000 0.902 301 Q HN 0.949 nan 8.270 nan 0.000 0.425 302 H N -0.050 118.897 119.070 -0.205 0.000 2.270 302 H HA -0.106 4.450 4.556 -0.000 0.000 0.299 302 H C 1.909 177.262 175.328 0.042 0.000 1.077 302 H CA 2.264 58.332 56.048 0.033 0.000 1.294 302 H CB -0.193 29.663 29.762 0.156 0.000 1.371 302 H HN 0.278 nan 8.280 nan 0.000 0.491 303 S N 0.133 115.784 115.700 -0.083 0.000 2.399 303 S HA -0.160 4.310 4.470 -0.000 0.000 0.231 303 S C 1.952 176.473 174.600 -0.133 0.000 1.022 303 S CA 1.157 59.270 58.200 -0.146 0.000 0.983 303 S CB -0.261 62.938 63.200 -0.002 0.000 0.803 303 S HN 0.474 nan 8.310 nan 0.000 0.480 304 N N 2.644 121.296 118.700 -0.080 0.000 2.166 304 N HA 0.088 4.828 4.740 -0.000 0.000 0.186 304 N C 1.879 177.351 175.510 -0.062 0.000 1.019 304 N CA 1.470 54.486 53.050 -0.056 0.000 0.856 304 N CB -0.846 37.632 38.487 -0.015 0.000 0.993 304 N HN 0.592 nan 8.380 nan 0.000 0.426 305 A N 0.880 123.666 122.820 -0.056 0.000 1.929 305 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 305 A C 2.169 179.663 177.584 -0.151 0.000 1.176 305 A CA 1.318 53.288 52.037 -0.113 0.000 0.628 305 A CB -0.343 18.672 19.000 0.027 0.000 0.816 305 A HN 0.283 nan 8.150 nan 0.000 0.444 306 K N -0.344 119.954 120.400 -0.169 0.000 2.062 306 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 306 K C 1.467 177.999 176.600 -0.114 0.000 1.051 306 K CA 1.417 57.608 56.287 -0.160 0.000 0.941 306 K CB -0.140 32.208 32.500 -0.254 0.000 0.719 306 K HN 0.388 nan 8.250 nan 0.000 0.440 307 N N 0.693 119.329 118.700 -0.106 0.000 2.354 307 N HA -0.059 4.681 4.740 -0.000 0.000 0.179 307 N C 1.602 177.136 175.510 0.040 0.000 1.021 307 N CA 0.934 53.934 53.050 -0.083 0.000 0.887 307 N CB -0.075 38.342 38.487 -0.116 0.000 0.974 307 N HN 0.266 nan 8.380 nan 0.000 0.437 308 A N 0.959 123.786 122.820 0.012 0.000 1.892 308 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 308 A C 2.443 180.037 177.584 0.017 0.000 1.188 308 A CA 1.717 53.769 52.037 0.025 0.000 0.631 308 A CB -0.807 18.140 19.000 -0.088 0.000 0.822 308 A HN 0.110 nan 8.150 nan 0.000 0.447 309 V N -0.463 119.421 119.914 -0.050 0.000 2.379 309 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 309 V C 2.445 178.514 176.094 -0.042 0.000 1.044 309 V CA 1.666 63.938 62.300 -0.048 0.000 1.036 309 V CB -0.894 30.890 31.823 -0.066 0.000 0.664 309 V HN 0.578 nan 8.190 nan 0.000 0.453 310 L N 0.118 121.290 121.223 -0.084 0.000 1.990 310 L HA -0.172 4.168 4.340 -0.000 0.000 0.213 310 L C 2.247 179.008 176.870 -0.182 0.000 1.072 310 L CA 2.200 56.947 54.840 -0.156 0.000 0.755 310 L CB -0.810 41.115 42.059 -0.222 0.000 0.889 310 L HN 0.251 nan 8.230 nan 0.000 0.432 311 F N -0.232 119.721 119.950 0.005 0.000 2.202 311 F HA -0.217 4.310 4.527 -0.000 0.000 0.301 311 F C 2.556 178.356 175.800 0.000 0.000 1.082 311 F CA 1.498 59.502 58.000 0.007 0.000 1.313 311 F CB -0.260 38.733 39.000 -0.012 0.000 1.024 311 F HN 0.238 nan 8.300 nan 0.000 0.495 312 E N 0.358 120.639 120.200 0.134 0.000 2.072 312 E HA -0.085 4.265 4.350 -0.000 0.000 0.190 312 E C 2.206 178.828 176.600 0.038 0.000 0.982 312 E CA 1.062 57.508 56.400 0.076 0.000 0.803 312 E CB -0.329 29.398 29.700 0.043 0.000 0.755 312 E HN 0.216 nan 8.360 nan 0.000 0.453 313 A N 0.884 123.714 122.820 0.018 0.000 1.892 313 A HA -0.208 4.111 4.320 -0.000 0.000 0.218 313 A C 2.295 179.890 177.584 0.018 0.000 1.188 313 A CA 1.669 53.710 52.037 0.007 0.000 0.631 313 A CB -0.858 18.138 19.000 -0.007 0.000 0.822 313 A HN 0.360 nan 8.150 nan 0.000 0.447 314 I N -0.173 120.411 120.570 0.022 0.000 2.208 314 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 314 I C 2.678 178.840 176.117 0.075 0.000 1.097 314 I CA 1.626 62.954 61.300 0.047 0.000 1.363 314 I CB -0.429 37.603 38.000 0.054 0.000 1.051 314 I HN 0.266 nan 8.210 nan 0.000 0.413 315 S N 0.817 116.566 115.700 0.082 0.000 2.368 315 S HA -0.180 4.290 4.470 -0.000 0.000 0.225 315 S C 1.908 176.526 174.600 0.029 0.000 1.030 315 S CA 1.219 59.457 58.200 0.063 0.000 0.999 315 S CB -0.422 62.805 63.200 0.045 0.000 0.844 315 S HN 0.309 nan 8.310 nan 0.000 0.459 316 L N 1.998 123.213 121.223 -0.013 0.000 2.042 316 L HA -0.014 4.326 4.340 -0.000 0.000 0.210 316 L C 1.876 178.726 176.870 -0.034 0.000 1.076 316 L CA 1.557 56.344 54.840 -0.088 0.000 0.749 316 L CB -0.704 41.297 42.059 -0.097 0.000 0.893 316 L HN 0.290 nan 8.230 nan 0.000 0.432 317 I N -0.957 119.639 120.570 0.043 0.000 2.226 317 I HA -0.328 3.842 4.170 -0.000 0.000 0.245 317 I C 2.344 178.535 176.117 0.123 0.000 1.100 317 I CA 1.501 62.860 61.300 0.097 0.000 1.374 317 I CB -0.217 37.828 38.000 0.075 0.000 1.057 317 I HN 0.246 nan 8.210 nan 0.000 0.413 318 I N -0.096 120.541 120.570 0.112 0.000 2.202 318 I HA -0.329 3.841 4.170 -0.000 0.000 0.242 318 I C 2.657 178.860 176.117 0.144 0.000 1.091 318 I CA 1.628 63.004 61.300 0.125 0.000 1.368 318 I CB -0.560 37.507 38.000 0.111 0.000 1.058 318 I HN 0.279 nan 8.210 nan 0.000 0.410 319 H N 0.170 119.254 119.070 0.023 0.000 2.387 319 H HA -0.212 4.344 4.556 -0.000 0.000 0.299 319 H C 2.201 177.582 175.328 0.089 0.000 1.099 319 H CA 2.138 58.195 56.048 0.015 0.000 1.315 319 H CB -0.184 29.540 29.762 -0.063 0.000 1.380 319 H HN 0.435 nan 8.280 nan 0.000 0.513 320 H N -1.083 118.032 119.070 0.075 0.000 2.363 320 H HA -0.067 4.489 4.556 -0.000 0.000 0.301 320 H C 0.672 176.011 175.328 0.017 0.000 1.074 320 H CA 0.491 56.541 56.048 0.004 0.000 1.354 320 H CB 0.172 29.985 29.762 0.085 0.000 1.397 320 H HN 0.414 nan 8.280 nan 0.000 0.516 321 D N -0.207 120.313 120.400 0.200 0.000 2.701 321 D HA -0.168 4.471 4.640 -0.000 0.000 0.235 321 D C 0.538 176.991 176.300 0.255 0.000 1.155 321 D CA 0.899 55.030 54.000 0.218 0.000 0.649 321 D CB -0.901 40.007 40.800 0.179 0.000 1.050 321 D HN 0.450 nan 8.370 nan 0.000 0.425 322 S N -1.564 114.196 115.700 0.101 0.000 2.817 322 S HA 0.167 4.637 4.470 -0.000 0.000 0.262 322 S C 0.134 174.613 174.600 -0.201 0.000 1.051 322 S CA -0.597 57.584 58.200 -0.032 0.000 1.185 322 S CB 0.468 63.660 63.200 -0.014 0.000 1.152 322 S HN 0.232 nan 8.310 nan 0.000 0.653 323 E N 2.204 122.297 120.200 -0.178 0.000 2.593 323 E HA 0.295 4.645 4.350 -0.000 0.000 0.232 323 E C -2.406 174.061 176.600 -0.222 0.000 1.026 323 E CA -2.114 54.173 56.400 -0.188 0.000 0.772 323 E CB 1.676 31.333 29.700 -0.072 0.000 1.310 323 E HN 0.164 nan 8.360 nan 0.000 0.413 324 P HA -0.206 nan 4.420 nan 0.000 0.216 324 P C 1.183 178.427 177.300 -0.094 0.000 1.153 324 P CA 1.161 64.102 63.100 -0.265 0.000 0.858 324 P CB 0.308 31.820 31.700 -0.314 0.000 0.789 325 N N -0.455 118.190 118.700 -0.091 0.000 2.104 325 N HA -0.143 4.597 4.740 -0.000 0.000 0.190 325 N C 1.668 177.162 175.510 -0.026 0.000 1.024 325 N CA 1.177 54.199 53.050 -0.046 0.000 0.853 325 N CB -0.848 37.612 38.487 -0.045 0.000 1.008 325 N HN 0.006 nan 8.380 nan 0.000 0.424 326 L N -0.148 121.058 121.223 -0.028 0.000 2.083 326 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 326 L C 2.182 179.057 176.870 0.008 0.000 1.083 326 L CA 0.833 55.669 54.840 -0.008 0.000 0.752 326 L CB -0.533 41.528 42.059 0.003 0.000 0.899 326 L HN 0.285 nan 8.230 nan 0.000 0.433 327 L N -0.943 120.291 121.223 0.019 0.000 2.056 327 L HA -0.167 4.172 4.340 -0.000 0.000 0.207 327 L C 2.510 179.406 176.870 0.045 0.000 1.078 327 L CA 0.733 55.602 54.840 0.049 0.000 0.749 327 L CB -0.365 41.747 42.059 0.089 0.000 0.901 327 L HN 0.014 nan 8.230 nan 0.000 0.433 328 V N -0.303 119.634 119.914 0.037 0.000 2.343 328 V HA -0.271 3.849 4.120 -0.000 0.000 0.247 328 V C 2.573 178.682 176.094 0.024 0.000 1.051 328 V CA 1.708 64.032 62.300 0.040 0.000 1.036 328 V CB -0.616 31.225 31.823 0.030 0.000 0.654 328 V HN 0.404 nan 8.190 nan 0.000 0.451 329 R N -0.046 120.455 120.500 0.003 0.000 2.092 329 R HA -0.054 4.286 4.340 -0.000 0.000 0.231 329 R C 2.473 178.750 176.300 -0.038 0.000 1.119 329 R CA 1.279 57.368 56.100 -0.018 0.000 0.970 329 R CB -0.574 29.711 30.300 -0.025 0.000 0.864 329 R HN 0.532 nan 8.270 nan 0.000 0.440 330 A N 1.093 123.899 122.820 -0.025 0.000 1.859 330 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 330 A C 2.450 180.004 177.584 -0.051 0.000 1.198 330 A CA 1.783 53.799 52.037 -0.036 0.000 0.629 330 A CB -1.106 17.895 19.000 0.001 0.000 0.830 330 A HN 0.476 nan 8.150 nan 0.000 0.446 331 C N -0.173 119.117 119.300 -0.018 0.000 2.398 331 C HA -0.149 4.311 4.460 -0.000 0.000 0.276 331 C C 2.667 177.573 174.990 -0.141 0.000 1.222 331 C CA 1.302 60.293 59.018 -0.045 0.000 1.746 331 C CB -1.614 26.160 27.740 0.057 0.000 2.039 331 C HN 0.670 nan 8.230 nan 0.000 0.470 332 N N 0.515 119.197 118.700 -0.030 0.000 2.188 332 N HA -0.122 4.618 4.740 -0.000 0.000 0.184 332 N C 1.757 177.166 175.510 -0.168 0.000 1.018 332 N CA 1.174 54.219 53.050 -0.009 0.000 0.858 332 N CB -0.663 37.866 38.487 0.071 0.000 0.989 332 N HN 0.590 nan 8.380 nan 0.000 0.426 333 Q N 0.994 120.670 119.800 -0.206 0.000 2.167 333 Q HA 0.093 4.433 4.340 -0.000 0.000 0.202 333 Q C 1.927 177.610 176.000 -0.529 0.000 0.970 333 Q CA 0.952 56.534 55.803 -0.367 0.000 0.855 333 Q CB -0.285 28.261 28.738 -0.321 0.000 0.911 333 Q HN 0.362 nan 8.270 nan 0.000 0.438 334 L N -0.714 120.332 121.223 -0.295 0.000 2.083 334 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 334 L C 2.300 179.048 176.870 -0.204 0.000 1.083 334 L CA 1.062 55.822 54.840 -0.134 0.000 0.752 334 L CB -0.953 41.102 42.059 -0.006 0.000 0.899 334 L HN 0.419 nan 8.230 nan 0.000 0.433 335 G N -0.713 107.843 108.800 -0.407 0.000 2.469 335 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.220 335 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.220 335 G C 1.536 176.321 174.900 -0.190 0.000 1.136 335 G CA 0.578 45.375 45.100 -0.504 0.000 0.759 335 G HN 0.406 nan 8.290 nan 0.000 0.562 336 Q N -0.945 118.723 119.800 -0.220 0.000 2.378 336 Q HA 0.178 4.518 4.340 -0.000 0.000 0.205 336 Q C 1.954 177.932 176.000 -0.037 0.000 0.954 336 Q CA 0.204 55.920 55.803 -0.145 0.000 0.901 336 Q CB -0.068 28.535 28.738 -0.224 0.000 0.981 336 Q HN 0.680 nan 8.270 nan 0.000 0.483 337 F N -0.327 119.637 119.950 0.024 0.000 2.456 337 F HA -0.058 4.468 4.527 -0.000 0.000 0.298 337 F C 1.571 177.417 175.800 0.077 0.000 1.104 337 F CA 0.093 58.129 58.000 0.061 0.000 1.435 337 F CB 0.194 39.204 39.000 0.018 0.000 1.078 337 F HN 0.044 nan 8.300 nan 0.000 0.546 338 L N -0.200 121.137 121.223 0.190 0.000 2.265 338 L HA -0.176 4.164 4.340 -0.000 0.000 0.215 338 L C 0.619 177.567 176.870 0.130 0.000 1.117 338 L CA 1.059 55.973 54.840 0.124 0.000 0.782 338 L CB -0.540 41.553 42.059 0.057 0.000 0.914 338 L HN 0.174 nan 8.230 nan 0.000 0.441 339 Q N 0.411 120.300 119.800 0.147 0.000 2.655 339 Q HA 0.280 4.620 4.340 -0.000 0.000 0.228 339 Q C -0.735 175.372 176.000 0.178 0.000 1.186 339 Q CA -0.072 55.806 55.803 0.124 0.000 1.004 339 Q CB 0.581 29.364 28.738 0.075 0.000 1.242 339 Q HN 0.184 nan 8.270 nan 0.000 0.558 340 H N 0.762 119.882 119.070 0.083 0.000 3.029 340 H HA 0.227 4.783 4.556 -0.000 0.000 0.358 340 H C 0.276 175.639 175.328 0.058 0.000 1.129 340 H CA -0.465 55.635 56.048 0.087 0.000 1.230 340 H CB 1.405 31.245 29.762 0.131 0.000 1.827 340 H HN 0.393 nan 8.280 nan 0.000 0.530 341 R N 1.091 121.628 120.500 0.062 0.000 2.115 341 R HA -0.115 4.225 4.340 -0.000 0.000 0.239 341 R C 0.036 176.458 176.300 0.202 0.000 1.133 341 R CA 1.288 57.451 56.100 0.105 0.000 0.935 341 R CB 0.015 30.336 30.300 0.035 0.000 0.853 341 R HN 0.517 nan 8.270 nan 0.000 0.433 342 E N 1.114 121.534 120.200 0.367 0.000 2.491 342 E HA -0.071 4.279 4.350 -0.000 0.000 0.250 342 E C 0.785 177.436 176.600 0.085 0.000 1.061 342 E CA 0.522 57.018 56.400 0.160 0.000 0.942 342 E CB 0.725 30.441 29.700 0.028 0.000 0.957 342 E HN 0.258 nan 8.360 nan 0.000 0.480 343 T N 3.124 117.713 114.554 0.059 0.000 2.803 343 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 343 T C 1.355 176.075 174.700 0.033 0.000 1.052 343 T CA 1.075 63.205 62.100 0.050 0.000 1.136 343 T CB 0.064 68.954 68.868 0.036 0.000 0.864 343 T HN 0.328 nan 8.240 nan 0.000 0.467 344 N N 1.363 120.053 118.700 -0.016 0.000 2.084 344 N HA 0.008 4.748 4.740 -0.000 0.000 0.190 344 N C 1.866 177.327 175.510 -0.083 0.000 1.030 344 N CA 0.971 53.989 53.050 -0.053 0.000 0.849 344 N CB -0.527 37.908 38.487 -0.086 0.000 1.012 344 N HN 0.377 nan 8.380 nan 0.000 0.423 345 L N 0.597 121.719 121.223 -0.168 0.000 2.109 345 L HA -0.024 4.316 4.340 -0.000 0.000 0.207 345 L C 2.521 179.342 176.870 -0.081 0.000 1.086 345 L CA 0.771 55.450 54.840 -0.268 0.000 0.760 345 L CB -0.308 41.349 42.059 -0.670 0.000 0.910 345 L HN 0.091 nan 8.230 nan 0.000 0.437 346 R N -0.663 119.837 120.500 0.001 0.000 2.080 346 R HA -0.240 4.100 4.340 -0.000 0.000 0.236 346 R C 2.368 178.688 176.300 0.032 0.000 1.137 346 R CA 2.134 58.271 56.100 0.062 0.000 0.943 346 R CB -0.666 29.683 30.300 0.081 0.000 0.846 346 R HN 0.216 nan 8.270 nan 0.000 0.431 347 Y N 1.455 121.725 120.300 -0.049 0.000 2.081 347 Y HA -0.275 4.275 4.550 -0.000 0.000 0.280 347 Y C 2.064 177.905 175.900 -0.097 0.000 1.163 347 Y CA 1.867 59.926 58.100 -0.067 0.000 1.135 347 Y CB -0.329 38.081 38.460 -0.083 0.000 0.970 347 Y HN -0.007 nan 8.280 nan 0.000 0.498 348 L N -0.704 120.504 121.223 -0.025 0.000 2.141 348 L HA -0.189 4.150 4.340 -0.000 0.000 0.209 348 L C 2.722 179.516 176.870 -0.126 0.000 1.094 348 L CA 0.958 55.657 54.840 -0.234 0.000 0.763 348 L CB -0.887 40.767 42.059 -0.676 0.000 0.908 348 L HN 0.330 nan 8.230 nan 0.000 0.437 349 A N 0.305 123.159 122.820 0.056 0.000 1.858 349 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 349 A C 2.248 179.855 177.584 0.039 0.000 1.190 349 A CA 1.394 53.545 52.037 0.190 0.000 0.617 349 A CB -0.740 18.409 19.000 0.249 0.000 0.827 349 A HN 0.330 nan 8.150 nan 0.000 0.443 350 L N -0.629 120.558 121.223 -0.060 0.000 2.079 350 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 350 L C 2.700 179.476 176.870 -0.157 0.000 1.081 350 L CA 1.889 56.657 54.840 -0.119 0.000 0.752 350 L CB -0.472 41.480 42.059 -0.179 0.000 0.896 350 L HN 0.655 nan 8.230 nan 0.000 0.433 351 E N -0.307 119.746 120.200 -0.244 0.000 2.028 351 E HA -0.253 4.097 4.350 -0.000 0.000 0.191 351 E C 2.302 178.858 176.600 -0.073 0.000 0.988 351 E CA 1.494 57.772 56.400 -0.204 0.000 0.799 351 E CB -0.016 29.543 29.700 -0.235 0.000 0.755 351 E HN 0.286 nan 8.360 nan 0.000 0.447 352 S N -0.513 115.172 115.700 -0.025 0.000 2.453 352 S HA -0.059 4.411 4.470 -0.000 0.000 0.231 352 S C 1.946 176.580 174.600 0.057 0.000 1.005 352 S CA 0.793 59.027 58.200 0.056 0.000 0.949 352 S CB -0.146 63.159 63.200 0.176 0.000 0.774 352 S HN 0.304 nan 8.310 nan 0.000 0.510 353 M N 0.044 119.662 119.600 0.030 0.000 2.349 353 M HA -0.027 4.453 4.480 -0.000 0.000 0.266 353 M C 2.207 178.519 176.300 0.020 0.000 1.076 353 M CA 0.670 55.981 55.300 0.019 0.000 1.126 353 M CB -0.505 32.090 32.600 -0.009 0.000 1.392 353 M HN 0.436 nan 8.290 nan 0.000 0.440 354 C N 0.312 119.617 119.300 0.008 0.000 2.435 354 C HA -0.104 4.355 4.460 -0.000 0.000 0.279 354 C C 2.782 177.799 174.990 0.045 0.000 1.321 354 C CA 1.377 60.410 59.018 0.025 0.000 1.752 354 C CB -1.085 26.661 27.740 0.009 0.000 1.959 354 C HN 0.555 nan 8.230 nan 0.000 0.500 355 T N 1.293 115.873 114.554 0.043 0.000 2.821 355 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 355 T C 1.631 176.374 174.700 0.071 0.000 1.046 355 T CA 1.070 63.204 62.100 0.057 0.000 1.139 355 T CB -0.249 68.654 68.868 0.058 0.000 0.871 355 T HN 0.439 nan 8.240 nan 0.000 0.454 356 L N 0.803 122.069 121.223 0.071 0.000 2.217 356 L HA 0.097 4.436 4.340 -0.000 0.000 0.211 356 L C 2.859 179.788 176.870 0.098 0.000 1.107 356 L CA 0.692 55.582 54.840 0.083 0.000 0.783 356 L CB -0.500 41.602 42.059 0.072 0.000 0.919 356 L HN 0.238 nan 8.230 nan 0.000 0.442 357 A N -0.560 122.317 122.820 0.096 0.000 2.121 357 A HA -0.139 4.180 4.320 -0.000 0.000 0.218 357 A C 2.331 180.067 177.584 0.252 0.000 1.154 357 A CA 1.466 53.592 52.037 0.149 0.000 0.679 357 A CB -0.434 18.626 19.000 0.100 0.000 0.795 357 A HN 0.455 nan 8.150 nan 0.000 0.458 358 S N -1.015 114.769 115.700 0.139 0.000 2.605 358 S HA 0.240 4.709 4.470 -0.000 0.000 0.217 358 S C 0.520 175.152 174.600 0.052 0.000 0.958 358 S CA 0.414 58.667 58.200 0.088 0.000 0.919 358 S CB -0.418 62.819 63.200 0.061 0.000 0.780 358 S HN 0.495 nan 8.310 nan 0.000 0.507 359 S N 0.043 115.793 115.700 0.083 0.000 2.500 359 S HA 0.457 4.927 4.470 -0.000 0.000 0.301 359 S C 0.457 175.079 174.600 0.036 0.000 1.092 359 S CA -0.576 57.650 58.200 0.044 0.000 1.030 359 S CB 1.612 64.860 63.200 0.079 0.000 1.031 359 S HN 0.283 nan 8.310 nan 0.000 0.483 360 E N 3.194 123.339 120.200 -0.092 0.000 2.038 360 E HA -0.081 4.269 4.350 -0.000 0.000 0.195 360 E C 0.938 177.501 176.600 -0.062 0.000 1.000 360 E CA 1.901 58.207 56.400 -0.157 0.000 0.803 360 E CB -0.312 29.160 29.700 -0.381 0.000 0.750 360 E HN 0.853 nan 8.360 nan 0.000 0.448 361 F N 0.357 120.334 119.950 0.046 0.000 2.494 361 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 361 F C 1.835 177.666 175.800 0.051 0.000 1.106 361 F CA 0.704 58.729 58.000 0.042 0.000 1.452 361 F CB 0.125 39.147 39.000 0.035 0.000 1.085 361 F HN 0.067 nan 8.300 nan 0.000 0.569 362 S N -3.328 112.498 115.700 0.210 0.000 2.679 362 S HA 0.024 4.494 4.470 -0.000 0.000 0.258 362 S C 1.246 175.927 174.600 0.134 0.000 1.068 362 S CA -0.208 58.087 58.200 0.157 0.000 1.115 362 S CB -0.404 62.883 63.200 0.144 0.000 1.078 362 S HN 0.350 nan 8.310 nan 0.000 0.603 363 H N 2.938 122.034 119.070 0.043 0.000 2.251 363 H HA -0.035 4.521 4.556 -0.000 0.000 0.294 363 H C 1.952 177.296 175.328 0.027 0.000 1.078 363 H CA 2.574 58.637 56.048 0.026 0.000 1.246 363 H CB -0.095 29.668 29.762 0.003 0.000 1.358 363 H HN 0.256 nan 8.280 nan 0.000 0.488 364 E N 0.455 120.705 120.200 0.083 0.000 2.160 364 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 364 E C 2.418 179.002 176.600 -0.027 0.000 0.991 364 E CA 0.811 57.210 56.400 -0.001 0.000 0.810 364 E CB -0.637 29.092 29.700 0.048 0.000 0.742 364 E HN 0.634 nan 8.360 nan 0.000 0.466 365 A N 1.344 124.175 122.820 0.020 0.000 1.903 365 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 365 A C 2.653 180.272 177.584 0.058 0.000 1.191 365 A CA 2.003 54.063 52.037 0.039 0.000 0.638 365 A CB -0.839 18.208 19.000 0.079 0.000 0.823 365 A HN 0.165 nan 8.150 nan 0.000 0.451 366 V N 0.042 119.970 119.914 0.024 0.000 2.358 366 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 366 V C 2.389 178.478 176.094 -0.007 0.000 1.047 366 V CA 2.192 64.519 62.300 0.045 0.000 1.035 366 V CB -0.739 31.054 31.823 -0.051 0.000 0.658 366 V HN 0.528 nan 8.190 nan 0.000 0.452 367 K N -0.135 120.175 120.400 -0.149 0.000 2.127 367 K HA -0.240 4.080 4.320 -0.000 0.000 0.208 367 K C 2.153 178.678 176.600 -0.125 0.000 1.047 367 K CA 1.972 58.169 56.287 -0.150 0.000 0.927 367 K CB -0.575 31.826 32.500 -0.166 0.000 0.716 367 K HN 0.442 nan 8.250 nan 0.000 0.450 368 T N 0.241 114.690 114.554 -0.174 0.000 2.848 368 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 368 T C 1.054 175.488 174.700 -0.445 0.000 1.081 368 T CA 1.154 63.051 62.100 -0.339 0.000 1.125 368 T CB -0.174 68.425 68.868 -0.448 0.000 0.848 368 T HN 0.330 nan 8.240 nan 0.000 0.503 369 H N -0.898 118.139 119.070 -0.054 0.000 2.672 369 H HA 0.346 4.902 4.556 -0.000 0.000 0.277 369 H C 1.946 177.250 175.328 -0.040 0.000 1.074 369 H CA -0.284 55.739 56.048 -0.042 0.000 1.173 369 H CB 0.026 29.766 29.762 -0.037 0.000 1.558 369 H HN 0.331 nan 8.280 nan 0.000 0.539 370 I N 1.426 122.009 120.570 0.021 0.000 2.143 370 I HA -0.345 3.824 4.170 -0.000 0.000 0.245 370 I C 2.191 178.309 176.117 0.003 0.000 1.068 370 I CA 1.729 63.029 61.300 -0.001 0.000 1.326 370 I CB 0.134 38.114 38.000 -0.033 0.000 1.028 370 I HN 0.191 nan 8.210 nan 0.000 0.412 371 E N -0.255 119.942 120.200 -0.004 0.000 2.070 371 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 371 E C 2.030 178.640 176.600 0.016 0.000 1.004 371 E CA 2.304 58.704 56.400 -0.000 0.000 0.805 371 E CB -0.176 29.519 29.700 -0.009 0.000 0.744 371 E HN 0.631 nan 8.360 nan 0.000 0.451 372 T N 0.396 114.973 114.554 0.039 0.000 2.821 372 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 372 T C 2.093 176.813 174.700 0.033 0.000 1.046 372 T CA 0.950 63.081 62.100 0.051 0.000 1.139 372 T CB -0.183 68.744 68.868 0.099 0.000 0.871 372 T HN -0.027 nan 8.240 nan 0.000 0.454 373 V N 1.504 121.435 119.914 0.028 0.000 2.323 373 V HA -0.065 4.055 4.120 -0.000 0.000 0.244 373 V C 2.446 178.528 176.094 -0.021 0.000 1.041 373 V CA 1.266 63.567 62.300 0.002 0.000 1.025 373 V CB -0.592 31.231 31.823 0.000 0.000 0.656 373 V HN 0.465 nan 8.190 nan 0.000 0.451 374 I N 0.779 121.339 120.570 -0.017 0.000 2.335 374 I HA -0.227 3.943 4.170 -0.000 0.000 0.251 374 I C 2.103 178.207 176.117 -0.021 0.000 1.129 374 I CA 1.392 62.675 61.300 -0.029 0.000 1.402 374 I CB -0.441 37.553 38.000 -0.009 0.000 1.069 374 I HN 0.368 nan 8.210 nan 0.000 0.424 375 N N 0.681 119.380 118.700 -0.002 0.000 2.416 375 N HA 0.018 4.758 4.740 -0.000 0.000 0.177 375 N C 1.770 177.287 175.510 0.011 0.000 1.036 375 N CA 1.108 54.165 53.050 0.012 0.000 0.901 375 N CB -0.058 38.441 38.487 0.020 0.000 0.976 375 N HN 0.302 nan 8.380 nan 0.000 0.444 376 A N 0.563 123.384 122.820 0.002 0.000 1.874 376 A HA 0.014 4.334 4.320 -0.000 0.000 0.214 376 A C 2.087 179.659 177.584 -0.019 0.000 1.189 376 A CA 0.657 52.697 52.037 0.006 0.000 0.615 376 A CB -0.750 18.257 19.000 0.012 0.000 0.830 376 A HN 0.218 nan 8.150 nan 0.000 0.443 377 L N 0.300 121.478 121.223 -0.075 0.000 2.013 377 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 377 L C 2.195 178.970 176.870 -0.158 0.000 1.073 377 L CA 2.778 57.510 54.840 -0.181 0.000 0.753 377 L CB -0.647 41.224 42.059 -0.313 0.000 0.890 377 L HN 0.423 nan 8.230 nan 0.000 0.432 378 K N -1.909 118.453 120.400 -0.064 0.000 2.211 378 K HA -0.170 4.150 4.320 -0.000 0.000 0.204 378 K C 1.659 178.343 176.600 0.140 0.000 1.047 378 K CA 1.622 57.973 56.287 0.107 0.000 0.935 378 K CB -0.122 32.428 32.500 0.084 0.000 0.728 378 K HN 0.494 nan 8.250 nan 0.000 0.452 379 T N -0.889 113.712 114.554 0.078 0.000 3.040 379 T HA 0.074 4.424 4.350 -0.000 0.000 0.266 379 T C -0.708 174.032 174.700 0.066 0.000 1.005 379 T CA -0.442 61.701 62.100 0.071 0.000 0.906 379 T CB 0.187 69.085 68.868 0.049 0.000 1.082 379 T HN 0.153 nan 8.240 nan 0.000 0.531 380 E N 1.052 121.293 120.200 0.068 0.000 2.259 380 E HA 0.361 4.711 4.350 -0.000 0.000 0.281 380 E C 1.129 177.770 176.600 0.068 0.000 1.027 380 E CA -0.327 56.107 56.400 0.056 0.000 0.838 380 E CB 0.809 30.528 29.700 0.032 0.000 1.066 380 E HN 0.214 nan 8.360 nan 0.000 0.401 381 R N 2.730 123.264 120.500 0.056 0.000 2.075 381 R HA 0.045 4.385 4.340 -0.000 0.000 0.220 381 R C 0.253 176.584 176.300 0.051 0.000 1.118 381 R CA 0.477 56.608 56.100 0.051 0.000 0.986 381 R CB -0.071 30.253 30.300 0.040 0.000 0.884 381 R HN 0.629 nan 8.270 nan 0.000 0.439 382 D N 0.938 121.368 120.400 0.051 0.000 2.425 382 D HA -0.036 4.604 4.640 -0.000 0.000 0.247 382 D C 1.140 177.477 176.300 0.061 0.000 1.147 382 D CA 0.091 54.121 54.000 0.051 0.000 0.879 382 D CB 1.752 42.584 40.800 0.053 0.000 1.179 382 D HN -0.200 nan 8.370 nan 0.000 0.456 383 V N 3.619 123.566 119.914 0.055 0.000 2.427 383 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 383 V C 2.482 178.620 176.094 0.074 0.000 1.051 383 V CA 2.097 64.433 62.300 0.059 0.000 1.048 383 V CB -0.529 31.323 31.823 0.049 0.000 0.666 383 V HN 0.721 nan 8.190 nan 0.000 0.456 384 S N -0.380 115.379 115.700 0.097 0.000 2.414 384 S HA -0.086 4.383 4.470 -0.000 0.000 0.227 384 S C 1.903 176.650 174.600 0.245 0.000 1.022 384 S CA 1.270 59.574 58.200 0.174 0.000 0.958 384 S CB -0.152 63.139 63.200 0.152 0.000 0.797 384 S HN 0.303 nan 8.310 nan 0.000 0.493 385 V N 2.053 122.093 119.914 0.211 0.000 2.515 385 V HA -0.078 4.042 4.120 -0.000 0.000 0.250 385 V C 2.918 179.028 176.094 0.027 0.000 1.058 385 V CA 1.872 64.250 62.300 0.130 0.000 1.064 385 V CB -0.843 31.049 31.823 0.116 0.000 0.675 385 V HN 0.439 nan 8.190 nan 0.000 0.461 386 R N -0.322 120.197 120.500 0.032 0.000 2.062 386 R HA -0.155 4.185 4.340 -0.000 0.000 0.231 386 R C 2.513 178.795 176.300 -0.030 0.000 1.136 386 R CA 1.625 57.716 56.100 -0.014 0.000 0.948 386 R CB -0.390 29.919 30.300 0.015 0.000 0.845 386 R HN 0.565 nan 8.270 nan 0.000 0.430 387 Q N 0.008 119.811 119.800 0.006 0.000 2.133 387 Q HA -0.215 4.125 4.340 -0.000 0.000 0.208 387 Q C 2.084 178.065 176.000 -0.031 0.000 0.991 387 Q CA 1.514 57.316 55.803 -0.002 0.000 0.867 387 Q CB -0.073 28.683 28.738 0.030 0.000 0.911 387 Q HN 0.303 nan 8.270 nan 0.000 0.417 388 R N -0.326 120.139 120.500 -0.059 0.000 2.119 388 R HA 0.052 4.391 4.340 -0.000 0.000 0.222 388 R C 2.195 178.440 176.300 -0.091 0.000 1.088 388 R CA 0.875 56.905 56.100 -0.116 0.000 0.984 388 R CB -0.473 29.658 30.300 -0.280 0.000 0.884 388 R HN 0.204 nan 8.270 nan 0.000 0.447 389 A N 1.324 124.094 122.820 -0.084 0.000 1.892 389 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 389 A C 2.429 179.977 177.584 -0.060 0.000 1.188 389 A CA 1.830 53.822 52.037 -0.076 0.000 0.631 389 A CB -0.647 18.295 19.000 -0.096 0.000 0.822 389 A HN 0.099 nan 8.150 nan 0.000 0.447 390 V N 0.353 120.229 119.914 -0.063 0.000 2.427 390 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 390 V C 2.125 178.233 176.094 0.023 0.000 1.051 390 V CA 2.082 64.363 62.300 -0.031 0.000 1.048 390 V CB -0.756 31.043 31.823 -0.040 0.000 0.666 390 V HN 0.510 nan 8.190 nan 0.000 0.456 391 D N -0.054 120.348 120.400 0.004 0.000 2.144 391 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 391 D C 2.024 178.381 176.300 0.095 0.000 0.984 391 D CA 1.131 55.153 54.000 0.037 0.000 0.834 391 D CB 0.036 40.833 40.800 -0.005 0.000 0.955 391 D HN 0.336 nan 8.370 nan 0.000 0.465 392 L N 0.972 122.220 121.223 0.042 0.000 2.056 392 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 392 L C 2.263 179.166 176.870 0.056 0.000 1.078 392 L CA 1.256 56.120 54.840 0.039 0.000 0.749 392 L CB -0.715 41.342 42.059 -0.004 0.000 0.901 392 L HN -0.017 nan 8.230 nan 0.000 0.433 393 L N -1.717 119.538 121.223 0.052 0.000 2.042 393 L HA -0.280 4.060 4.340 -0.000 0.000 0.210 393 L C 2.513 179.440 176.870 0.094 0.000 1.076 393 L CA 1.719 56.589 54.840 0.051 0.000 0.749 393 L CB -0.777 41.305 42.059 0.039 0.000 0.893 393 L HN 0.355 nan 8.230 nan 0.000 0.432 394 Y N 0.463 120.777 120.300 0.023 0.000 2.181 394 Y HA -0.261 4.289 4.550 -0.000 0.000 0.288 394 Y C 2.426 178.370 175.900 0.074 0.000 1.146 394 Y CA 1.388 59.518 58.100 0.051 0.000 1.164 394 Y CB -0.140 38.343 38.460 0.039 0.000 0.982 394 Y HN 0.109 nan 8.280 nan 0.000 0.515 395 A N 0.538 123.438 122.820 0.133 0.000 2.014 395 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 395 A C 2.206 179.842 177.584 0.087 0.000 1.163 395 A CA 1.512 53.606 52.037 0.094 0.000 0.652 395 A CB -0.889 18.190 19.000 0.132 0.000 0.808 395 A HN 0.703 nan 8.150 nan 0.000 0.449 396 M N -2.124 117.499 119.600 0.039 0.000 2.492 396 M HA 0.228 4.707 4.480 -0.000 0.000 0.255 396 M C 0.962 177.266 176.300 0.007 0.000 1.139 396 M CA -0.076 55.226 55.300 0.003 0.000 1.096 396 M CB -0.610 31.919 32.600 -0.118 0.000 1.360 396 M HN 0.196 nan 8.290 nan 0.000 0.480 397 C N 4.607 123.885 119.300 -0.037 0.000 2.662 397 C HA 0.218 4.678 4.460 -0.000 0.000 0.402 397 C C -0.035 174.831 174.990 -0.208 0.000 1.397 397 C CA -0.468 58.487 59.018 -0.105 0.000 1.575 397 C CB -1.444 26.250 27.740 -0.077 0.000 2.406 397 C HN 0.749 nan 8.230 nan 0.000 0.609 398 D N 4.020 124.212 120.400 -0.347 0.000 2.727 398 D HA 0.336 4.976 4.640 -0.000 0.000 0.264 398 D C 0.990 176.797 176.300 -0.823 0.000 1.101 398 D CA -0.912 52.714 54.000 -0.624 0.000 1.122 398 D CB 0.294 40.992 40.800 -0.171 0.000 1.390 398 D HN 0.459 nan 8.370 nan 0.000 0.606 399 R N -0.175 119.962 120.500 -0.605 0.000 2.133 399 R HA -0.209 4.130 4.340 -0.000 0.000 0.245 399 R C 2.197 178.356 176.300 -0.235 0.000 1.137 399 R CA 2.708 58.622 56.100 -0.309 0.000 0.947 399 R CB -0.767 29.478 30.300 -0.092 0.000 0.865 399 R HN 0.657 nan 8.270 nan 0.000 0.437 400 S N 1.068 116.659 115.700 -0.182 0.000 2.351 400 S HA -0.157 4.313 4.470 -0.000 0.000 0.220 400 S C 1.672 176.179 174.600 -0.156 0.000 1.035 400 S CA 1.445 59.562 58.200 -0.139 0.000 1.031 400 S CB -0.575 62.566 63.200 -0.098 0.000 0.928 400 S HN 0.311 nan 8.310 nan 0.000 0.433 401 N N 2.797 121.394 118.700 -0.172 0.000 2.166 401 N HA 0.034 4.774 4.740 -0.000 0.000 0.186 401 N C 2.083 177.507 175.510 -0.142 0.000 1.019 401 N CA 1.335 54.299 53.050 -0.144 0.000 0.856 401 N CB -1.071 37.334 38.487 -0.136 0.000 0.993 401 N HN 0.601 nan 8.380 nan 0.000 0.426 402 A N 1.759 124.451 122.820 -0.212 0.000 1.915 402 A HA -0.273 4.047 4.320 -0.000 0.000 0.220 402 A C 2.185 179.773 177.584 0.006 0.000 1.198 402 A CA 1.772 53.742 52.037 -0.112 0.000 0.647 402 A CB -0.730 18.193 19.000 -0.130 0.000 0.825 402 A HN 0.419 nan 8.150 nan 0.000 0.456 403 Q N -1.427 118.307 119.800 -0.111 0.000 2.083 403 Q HA -0.188 4.152 4.340 -0.000 0.000 0.198 403 Q C 2.415 178.382 176.000 -0.054 0.000 0.969 403 Q CA 1.252 56.944 55.803 -0.186 0.000 0.838 403 Q CB -0.241 28.197 28.738 -0.501 0.000 0.900 403 Q HN 0.785 nan 8.270 nan 0.000 0.436 404 Q N 0.743 120.502 119.800 -0.069 0.000 2.014 404 Q HA -0.198 4.142 4.340 -0.000 0.000 0.207 404 Q C 2.176 178.193 176.000 0.028 0.000 0.993 404 Q CA 1.408 57.196 55.803 -0.025 0.000 0.850 404 Q CB -0.142 28.570 28.738 -0.042 0.000 0.916 404 Q HN 0.402 nan 8.270 nan 0.000 0.417 405 I N -0.090 120.496 120.570 0.026 0.000 2.127 405 I HA -0.294 3.876 4.170 -0.000 0.000 0.241 405 I C 2.375 178.554 176.117 0.102 0.000 1.075 405 I CA 0.950 62.279 61.300 0.050 0.000 1.334 405 I CB -0.362 37.658 38.000 0.033 0.000 1.040 405 I HN 0.067 nan 8.210 nan 0.000 0.405 406 V N 1.145 121.154 119.914 0.158 0.000 2.332 406 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 406 V C 2.721 178.948 176.094 0.221 0.000 1.055 406 V CA 2.030 64.459 62.300 0.215 0.000 1.038 406 V CB -1.134 30.904 31.823 0.357 0.000 0.651 406 V HN 0.526 nan 8.190 nan 0.000 0.450 407 A N -0.459 122.508 122.820 0.246 0.000 1.908 407 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 407 A C 2.228 179.899 177.584 0.145 0.000 1.181 407 A CA 1.795 53.961 52.037 0.215 0.000 0.627 407 A CB -0.330 18.772 19.000 0.169 0.000 0.818 407 A HN 0.579 nan 8.150 nan 0.000 0.445 408 E N -0.854 119.416 120.200 0.117 0.000 2.122 408 E HA -0.041 4.309 4.350 -0.000 0.000 0.190 408 E C 2.080 178.757 176.600 0.129 0.000 0.977 408 E CA 0.684 57.147 56.400 0.104 0.000 0.820 408 E CB -0.376 29.364 29.700 0.068 0.000 0.770 408 E HN 0.684 nan 8.360 nan 0.000 0.462 409 M N 0.670 120.340 119.600 0.117 0.000 2.073 409 M HA -0.212 4.268 4.480 -0.000 0.000 0.258 409 M C 2.389 178.778 176.300 0.148 0.000 1.070 409 M CA 1.591 56.969 55.300 0.130 0.000 1.103 409 M CB -0.363 32.301 32.600 0.105 0.000 1.321 409 M HN 0.064 nan 8.290 nan 0.000 0.405 410 L N -1.413 119.880 121.223 0.117 0.000 2.083 410 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 410 L C 2.681 179.604 176.870 0.088 0.000 1.083 410 L CA 1.212 56.106 54.840 0.089 0.000 0.752 410 L CB -0.744 41.360 42.059 0.075 0.000 0.899 410 L HN 0.342 nan 8.230 nan 0.000 0.433 411 S N -0.849 114.917 115.700 0.109 0.000 2.356 411 S HA -0.259 4.211 4.470 -0.000 0.000 0.223 411 S C 2.094 176.751 174.600 0.094 0.000 1.032 411 S CA 1.163 59.419 58.200 0.093 0.000 1.005 411 S CB -0.383 62.879 63.200 0.103 0.000 0.867 411 S HN 0.445 nan 8.310 nan 0.000 0.449 412 Y N 2.022 122.333 120.300 0.018 0.000 2.114 412 Y HA -0.118 4.432 4.550 -0.000 0.000 0.282 412 Y C 2.059 177.955 175.900 -0.007 0.000 1.165 412 Y CA 1.736 59.839 58.100 0.005 0.000 1.148 412 Y CB -0.704 37.760 38.460 0.007 0.000 0.972 412 Y HN 0.255 nan 8.280 nan 0.000 0.504 413 L N 0.133 121.346 121.223 -0.017 0.000 2.103 413 L HA -0.323 4.017 4.340 -0.000 0.000 0.215 413 L C 2.399 179.187 176.870 -0.136 0.000 1.080 413 L CA 1.959 56.748 54.840 -0.085 0.000 0.764 413 L CB -0.523 41.541 42.059 0.008 0.000 0.890 413 L HN 0.383 nan 8.230 nan 0.000 0.435 414 E N -0.931 119.208 120.200 -0.101 0.000 2.153 414 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 414 E C 1.838 178.354 176.600 -0.141 0.000 0.988 414 E CA 1.895 58.242 56.400 -0.088 0.000 0.811 414 E CB -0.121 29.549 29.700 -0.050 0.000 0.746 414 E HN 0.636 nan 8.360 nan 0.000 0.466 415 T N -2.174 112.247 114.554 -0.221 0.000 3.054 415 T HA 0.424 4.774 4.350 -0.000 0.000 0.255 415 T C 0.704 175.188 174.700 -0.360 0.000 1.035 415 T CA 0.020 61.974 62.100 -0.244 0.000 0.941 415 T CB 0.414 69.171 68.868 -0.185 0.000 1.026 415 T HN 0.101 nan 8.240 nan 0.000 0.533 416 A N 2.203 124.722 122.820 -0.502 0.000 2.520 416 A HA 0.353 4.673 4.320 -0.000 0.000 0.245 416 A C 0.251 177.626 177.584 -0.347 0.000 1.072 416 A CA -0.360 51.338 52.037 -0.564 0.000 0.761 416 A CB -0.322 18.330 19.000 -0.581 0.000 1.004 416 A HN 0.420 nan 8.150 nan 0.000 0.499 417 D N 0.342 120.584 120.400 -0.264 0.000 2.303 417 D HA -0.077 4.563 4.640 -0.000 0.000 0.233 417 D C 0.882 177.067 176.300 -0.192 0.000 1.313 417 D CA 0.898 54.751 54.000 -0.246 0.000 0.883 417 D CB 0.054 40.805 40.800 -0.083 0.000 1.220 417 D HN 0.630 nan 8.370 nan 0.000 0.490 418 Y N -0.268 120.034 120.300 0.003 0.000 2.314 418 Y HA -0.165 4.385 4.550 -0.000 0.000 0.294 418 Y C 2.662 178.566 175.900 0.007 0.000 1.119 418 Y CA 0.675 58.787 58.100 0.020 0.000 1.179 418 Y CB -0.103 38.391 38.460 0.057 0.000 1.025 418 Y HN 0.337 nan 8.280 nan 0.000 0.541 419 S N 0.946 116.748 115.700 0.170 0.000 2.393 419 S HA -0.283 4.187 4.470 -0.000 0.000 0.234 419 S C 1.666 176.299 174.600 0.055 0.000 1.064 419 S CA 1.994 60.254 58.200 0.100 0.000 1.088 419 S CB -0.992 62.254 63.200 0.077 0.000 0.939 419 S HN 0.494 nan 8.310 nan 0.000 0.448 420 I N 0.939 121.533 120.570 0.041 0.000 3.030 420 I HA 0.060 4.230 4.170 -0.000 0.000 0.270 420 I C 2.812 178.898 176.117 -0.052 0.000 1.211 420 I CA 0.310 61.625 61.300 0.025 0.000 1.479 420 I CB -0.527 37.538 38.000 0.109 0.000 1.105 420 I HN 0.220 nan 8.210 nan 0.000 0.447 421 R N 1.353 121.772 120.500 -0.135 0.000 2.096 421 R HA -0.243 4.097 4.340 -0.000 0.000 0.240 421 R C 2.217 178.229 176.300 -0.480 0.000 1.139 421 R CA 2.023 57.935 56.100 -0.313 0.000 0.952 421 R CB -0.346 29.675 30.300 -0.465 0.000 0.854 421 R HN 0.405 nan 8.270 nan 0.000 0.436 422 E N 0.978 120.825 120.200 -0.588 0.000 2.070 422 E HA -0.248 4.102 4.350 -0.000 0.000 0.197 422 E C 1.960 178.471 176.600 -0.149 0.000 1.004 422 E CA 1.881 58.045 56.400 -0.393 0.000 0.805 422 E CB 0.040 29.707 29.700 -0.056 0.000 0.744 422 E HN 0.485 nan 8.360 nan 0.000 0.451 423 E N 0.368 120.509 120.200 -0.098 0.000 2.106 423 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 423 E C 2.277 178.843 176.600 -0.057 0.000 0.984 423 E CA 1.158 57.520 56.400 -0.063 0.000 0.806 423 E CB -0.391 29.279 29.700 -0.050 0.000 0.750 423 E HN 0.411 nan 8.360 nan 0.000 0.458 424 I N 1.537 122.078 120.570 -0.048 0.000 2.163 424 I HA -0.222 3.948 4.170 -0.000 0.000 0.240 424 I C 2.596 178.710 176.117 -0.006 0.000 1.081 424 I CA 0.752 62.048 61.300 -0.006 0.000 1.353 424 I CB -0.286 37.738 38.000 0.040 0.000 1.054 424 I HN -0.043 nan 8.210 nan 0.000 0.407 425 V N 1.107 120.997 119.914 -0.040 0.000 2.439 425 V HA -0.295 3.825 4.120 -0.000 0.000 0.253 425 V C 2.397 178.496 176.094 0.008 0.000 1.074 425 V CA 1.809 64.101 62.300 -0.012 0.000 1.076 425 V CB -0.630 31.181 31.823 -0.020 0.000 0.664 425 V HN 0.382 nan 8.190 nan 0.000 0.461 426 L N -0.081 121.140 121.223 -0.005 0.000 2.072 426 L HA -0.063 4.277 4.340 -0.000 0.000 0.205 426 L C 2.285 179.159 176.870 0.007 0.000 1.079 426 L CA 1.896 56.737 54.840 0.001 0.000 0.752 426 L CB -0.745 41.303 42.059 -0.018 0.000 0.906 426 L HN 0.180 nan 8.230 nan 0.000 0.436 427 K N -1.291 119.112 120.400 0.005 0.000 2.211 427 K HA -0.064 4.255 4.320 -0.000 0.000 0.203 427 K C 1.881 178.556 176.600 0.125 0.000 1.050 427 K CA 1.122 57.451 56.287 0.071 0.000 0.945 427 K CB -0.044 32.502 32.500 0.076 0.000 0.732 427 K HN 0.228 nan 8.250 nan 0.000 0.451 428 V N 1.172 121.127 119.914 0.068 0.000 2.221 428 V HA -0.264 3.856 4.120 -0.000 0.000 0.242 428 V C 2.251 178.338 176.094 -0.012 0.000 1.041 428 V CA 2.007 64.332 62.300 0.042 0.000 0.995 428 V CB -0.856 30.976 31.823 0.014 0.000 0.635 428 V HN 0.369 nan 8.190 nan 0.000 0.448 429 A N 0.135 122.934 122.820 -0.035 0.000 1.944 429 A HA -0.328 3.992 4.320 -0.000 0.000 0.222 429 A C 2.135 179.694 177.584 -0.043 0.000 1.237 429 A CA 2.862 54.860 52.037 -0.064 0.000 0.668 429 A CB -0.857 18.137 19.000 -0.009 0.000 0.830 429 A HN 0.570 nan 8.150 nan 0.000 0.471 430 I N -1.012 119.576 120.570 0.030 0.000 2.193 430 I HA -0.220 3.950 4.170 -0.000 0.000 0.240 430 I C 2.461 178.616 176.117 0.064 0.000 1.084 430 I CA 1.226 62.565 61.300 0.065 0.000 1.365 430 I CB -0.427 37.654 38.000 0.136 0.000 1.064 430 I HN 0.296 nan 8.210 nan 0.000 0.410 431 L N 0.750 122.046 121.223 0.122 0.000 2.046 431 L HA -0.202 4.137 4.340 -0.000 0.000 0.208 431 L C 2.933 179.893 176.870 0.150 0.000 1.077 431 L CA 1.316 56.260 54.840 0.173 0.000 0.747 431 L CB -0.824 41.372 42.059 0.229 0.000 0.896 431 L HN 0.247 nan 8.230 nan 0.000 0.432 432 A N 0.349 123.183 122.820 0.023 0.000 1.896 432 A HA -0.316 4.004 4.320 -0.000 0.000 0.220 432 A C 2.167 179.717 177.584 -0.057 0.000 1.206 432 A CA 2.416 54.382 52.037 -0.119 0.000 0.647 432 A CB -0.674 18.026 19.000 -0.501 0.000 0.828 432 A HN 0.502 nan 8.150 nan 0.000 0.455 433 E N -1.094 119.065 120.200 -0.068 0.000 2.208 433 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 433 E C 2.040 178.663 176.600 0.038 0.000 0.988 433 E CA 0.897 57.346 56.400 0.082 0.000 0.828 433 E CB -0.022 29.736 29.700 0.096 0.000 0.763 433 E HN 0.503 nan 8.360 nan 0.000 0.478 434 K N -0.720 119.634 120.400 -0.077 0.000 2.365 434 K HA -0.045 4.275 4.320 -0.000 0.000 0.197 434 K C 0.603 177.033 176.600 -0.283 0.000 1.042 434 K CA 0.928 57.033 56.287 -0.303 0.000 0.987 434 K CB 0.375 32.473 32.500 -0.671 0.000 0.779 434 K HN 0.281 nan 8.250 nan 0.000 0.484 435 Y N -1.188 119.160 120.300 0.080 0.000 2.619 435 Y HA 0.259 4.809 4.550 -0.000 0.000 0.273 435 Y C 0.385 176.362 175.900 0.127 0.000 1.175 435 Y CA -0.446 57.702 58.100 0.080 0.000 1.157 435 Y CB 0.527 39.027 38.460 0.067 0.000 1.329 435 Y HN -0.132 nan 8.280 nan 0.000 0.503 436 A N 1.219 124.270 122.820 0.385 0.000 2.583 436 A HA 0.046 4.366 4.320 -0.000 0.000 0.249 436 A C 1.236 178.989 177.584 0.281 0.000 1.035 436 A CA 0.312 52.620 52.037 0.453 0.000 0.777 436 A CB 0.043 19.380 19.000 0.561 0.000 0.942 436 A HN 0.281 nan 8.150 nan 0.000 0.516 437 V N 2.411 122.446 119.914 0.201 0.000 2.427 437 V HA -0.056 4.064 4.120 -0.000 0.000 0.248 437 V C 0.750 176.930 176.094 0.144 0.000 1.051 437 V CA 2.241 64.617 62.300 0.127 0.000 1.048 437 V CB -0.605 31.255 31.823 0.062 0.000 0.666 437 V HN 1.001 nan 8.190 nan 0.000 0.456 438 D N -2.382 118.151 120.400 0.220 0.000 2.602 438 D HA 0.144 4.784 4.640 -0.000 0.000 0.245 438 D C 0.434 176.956 176.300 0.371 0.000 1.325 438 D CA -0.665 53.501 54.000 0.275 0.000 0.952 438 D CB 0.997 41.943 40.800 0.243 0.000 1.317 438 D HN 0.129 nan 8.370 nan 0.000 0.577 439 Y N 1.731 122.104 120.300 0.121 0.000 2.532 439 Y HA -0.407 4.143 4.550 -0.000 0.000 0.260 439 Y C 2.401 178.381 175.900 0.132 0.000 1.382 439 Y CA 2.434 60.577 58.100 0.071 0.000 1.030 439 Y CB -1.790 36.676 38.460 0.009 0.000 0.827 439 Y HN 0.424 nan 8.280 nan 0.000 0.545 440 T N -0.385 114.374 114.554 0.341 0.000 3.043 440 T HA -0.150 4.200 4.350 -0.000 0.000 0.263 440 T C 1.543 176.421 174.700 0.296 0.000 1.094 440 T CA 0.754 62.996 62.100 0.237 0.000 1.127 440 T CB -0.469 68.484 68.868 0.141 0.000 0.905 440 T HN 0.677 nan 8.240 nan 0.000 0.490 441 W N 1.140 122.531 121.300 0.151 0.000 2.338 441 W HA -0.281 4.379 4.660 -0.000 0.000 0.325 441 W C 1.885 178.516 176.519 0.187 0.000 1.206 441 W CA 0.900 58.323 57.345 0.129 0.000 1.257 441 W CB -0.862 28.664 29.460 0.110 0.000 1.184 441 W HN 0.223 nan 8.180 nan 0.000 0.456 442 Y N 1.131 121.342 120.300 -0.148 0.000 1.987 442 Y HA -0.519 4.031 4.550 -0.000 0.000 0.222 442 Y C 2.561 178.353 175.900 -0.181 0.000 1.222 442 Y CA 3.577 61.552 58.100 -0.208 0.000 1.007 442 Y CB -1.113 37.338 38.460 -0.015 0.000 0.811 442 Y HN -0.132 nan 8.280 nan 0.000 0.530 443 V N 0.235 120.311 119.914 0.271 0.000 2.332 443 V HA -0.336 3.783 4.120 -0.000 0.000 0.248 443 V C 1.979 178.160 176.094 0.144 0.000 1.055 443 V CA 2.213 64.641 62.300 0.213 0.000 1.038 443 V CB -0.850 31.091 31.823 0.197 0.000 0.651 443 V HN 0.592 nan 8.190 nan 0.000 0.450 444 D N -0.087 120.379 120.400 0.110 0.000 2.149 444 D HA -0.169 4.471 4.640 -0.000 0.000 0.198 444 D C 2.086 178.348 176.300 -0.064 0.000 0.990 444 D CA 2.034 56.117 54.000 0.139 0.000 0.839 444 D CB -0.100 40.763 40.800 0.106 0.000 0.948 444 D HN 0.468 nan 8.370 nan 0.000 0.460 445 T N 0.024 114.364 114.554 -0.357 0.000 2.770 445 T HA -0.024 4.326 4.350 -0.000 0.000 0.263 445 T C 2.137 176.721 174.700 -0.193 0.000 1.039 445 T CA 0.885 62.723 62.100 -0.437 0.000 1.142 445 T CB -0.208 68.184 68.868 -0.794 0.000 0.868 445 T HN 0.193 nan 8.240 nan 0.000 0.435 446 I N 0.918 121.412 120.570 -0.128 0.000 2.315 446 I HA -0.089 4.081 4.170 -0.000 0.000 0.248 446 I C 2.286 178.431 176.117 0.046 0.000 1.117 446 I CA 1.102 62.393 61.300 -0.015 0.000 1.404 446 I CB -0.407 37.645 38.000 0.087 0.000 1.071 446 I HN 0.213 nan 8.210 nan 0.000 0.419 447 L N 0.220 121.481 121.223 0.064 0.000 2.093 447 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 447 L C 2.263 179.159 176.870 0.043 0.000 1.085 447 L CA 1.340 56.222 54.840 0.069 0.000 0.755 447 L CB -0.755 41.346 42.059 0.071 0.000 0.904 447 L HN 0.382 nan 8.230 nan 0.000 0.435 448 N N 0.152 118.872 118.700 0.034 0.000 2.106 448 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 448 N C 1.853 177.378 175.510 0.025 0.000 1.029 448 N CA 0.920 53.986 53.050 0.027 0.000 0.848 448 N CB -0.050 38.456 38.487 0.031 0.000 1.007 448 N HN 0.119 nan 8.380 nan 0.000 0.423 449 L N 2.183 123.415 121.223 0.015 0.000 1.997 449 L HA -0.153 4.187 4.340 -0.000 0.000 0.216 449 L C 2.077 178.991 176.870 0.073 0.000 1.074 449 L CA 1.478 56.336 54.840 0.031 0.000 0.763 449 L CB -0.840 41.223 42.059 0.007 0.000 0.890 449 L HN 0.123 nan 8.230 nan 0.000 0.434 450 I N -0.916 119.700 120.570 0.076 0.000 2.226 450 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 450 I C 2.732 178.906 176.117 0.094 0.000 1.100 450 I CA 1.472 62.830 61.300 0.097 0.000 1.374 450 I CB -0.460 37.589 38.000 0.081 0.000 1.057 450 I HN 0.325 nan 8.210 nan 0.000 0.413 451 R N 0.938 121.457 120.500 0.031 0.000 2.081 451 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 451 R C 2.210 178.449 176.300 -0.101 0.000 1.131 451 R CA 1.572 57.644 56.100 -0.046 0.000 0.960 451 R CB 0.031 30.306 30.300 -0.041 0.000 0.856 451 R HN 0.254 nan 8.270 nan 0.000 0.436 452 I N -0.182 120.386 120.570 -0.004 0.000 2.494 452 I HA 0.020 4.190 4.170 -0.000 0.000 0.250 452 I C 1.182 177.397 176.117 0.163 0.000 1.112 452 I CA 1.001 62.309 61.300 0.013 0.000 1.438 452 I CB -0.118 37.894 38.000 0.020 0.000 1.111 452 I HN 0.208 nan 8.210 nan 0.000 0.431 453 A N -0.354 122.607 122.820 0.236 0.000 2.676 453 A HA 0.553 4.873 4.320 -0.000 0.000 0.258 453 A C 1.485 179.247 177.584 0.296 0.000 0.898 453 A CA 0.296 52.518 52.037 0.307 0.000 1.087 453 A CB -0.606 18.491 19.000 0.162 0.000 1.214 453 A HN 0.296 nan 8.150 nan 0.000 0.474 454 G N 0.864 109.861 108.800 0.329 0.000 2.421 454 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.217 454 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.217 454 G C 0.935 175.797 174.900 -0.064 0.000 1.143 454 G CA 1.190 46.366 45.100 0.127 0.000 0.784 454 G HN 0.625 nan 8.290 nan 0.000 0.541 455 D N -0.313 119.914 120.400 -0.288 0.000 2.403 455 D HA -0.108 4.531 4.640 -0.000 0.000 0.227 455 D C 1.018 177.087 176.300 -0.384 0.000 0.995 455 D CA 0.456 54.213 54.000 -0.405 0.000 0.928 455 D CB -0.439 39.999 40.800 -0.604 0.000 0.887 455 D HN 0.490 nan 8.370 nan 0.000 0.529 456 Y N -0.238 120.010 120.300 -0.087 0.000 2.481 456 Y HA 0.251 4.801 4.550 -0.000 0.000 0.247 456 Y C 0.743 176.635 175.900 -0.014 0.000 1.151 456 Y CA -0.479 57.597 58.100 -0.040 0.000 1.238 456 Y CB 0.873 39.327 38.460 -0.011 0.000 1.179 456 Y HN -0.199 nan 8.280 nan 0.000 0.524 457 V N 0.254 120.238 119.914 0.117 0.000 2.649 457 V HA 0.145 4.265 4.120 -0.000 0.000 0.292 457 V C 0.858 177.018 176.094 0.110 0.000 1.055 457 V CA -0.540 61.828 62.300 0.113 0.000 1.023 457 V CB 1.486 33.380 31.823 0.117 0.000 0.992 457 V HN 0.232 nan 8.190 nan 0.000 0.480 458 S N 2.235 117.997 115.700 0.104 0.000 2.629 458 S HA 0.004 4.474 4.470 -0.000 0.000 0.250 458 S C 1.236 175.901 174.600 0.109 0.000 1.318 458 S CA 1.055 59.294 58.200 0.065 0.000 0.970 458 S CB 0.618 63.829 63.200 0.018 0.000 0.996 458 S HN 0.932 nan 8.310 nan 0.000 0.563 459 E N -0.400 119.757 120.200 -0.073 0.000 2.094 459 E HA 0.068 4.417 4.350 -0.000 0.000 0.193 459 E C 1.972 178.124 176.600 -0.746 0.000 0.950 459 E CA 0.582 56.748 56.400 -0.389 0.000 0.842 459 E CB -0.360 29.041 29.700 -0.497 0.000 0.816 459 E HN 0.687 nan 8.360 nan 0.000 0.465 460 E N 0.175 120.111 120.200 -0.439 0.000 2.095 460 E HA -0.280 4.070 4.350 -0.000 0.000 0.212 460 E C 2.131 178.648 176.600 -0.138 0.000 1.044 460 E CA 1.985 58.243 56.400 -0.237 0.000 0.857 460 E CB -0.256 29.391 29.700 -0.088 0.000 0.764 460 E HN 0.153 nan 8.360 nan 0.000 0.462 461 V N 1.705 121.598 119.914 -0.035 0.000 2.324 461 V HA -0.253 3.867 4.120 -0.000 0.000 0.250 461 V C 2.170 178.355 176.094 0.152 0.000 1.060 461 V CA 2.082 64.431 62.300 0.081 0.000 1.042 461 V CB -0.819 31.065 31.823 0.103 0.000 0.650 461 V HN 0.552 nan 8.190 nan 0.000 0.450 462 W N -1.109 120.200 121.300 0.015 0.000 2.476 462 W HA -0.054 4.606 4.660 -0.000 0.000 0.281 462 W C 2.106 178.712 176.519 0.144 0.000 1.230 462 W CA 0.477 57.861 57.345 0.066 0.000 1.287 462 W CB -1.359 28.131 29.460 0.051 0.000 1.108 462 W HN 0.297 nan 8.180 nan 0.000 0.567 463 Y N 1.569 121.484 120.300 -0.642 0.000 2.073 463 Y HA -0.292 4.258 4.550 -0.000 0.000 0.257 463 Y C 3.048 178.768 175.900 -0.300 0.000 1.093 463 Y CA 1.799 59.558 58.100 -0.569 0.000 1.076 463 Y CB -0.965 37.176 38.460 -0.531 0.000 0.984 463 Y HN -0.221 nan 8.280 nan 0.000 0.478 464 R N 0.702 121.188 120.500 -0.022 0.000 2.244 464 R HA -0.218 4.122 4.340 -0.000 0.000 0.252 464 R C 2.084 178.318 176.300 -0.109 0.000 1.177 464 R CA 1.314 57.365 56.100 -0.081 0.000 1.004 464 R CB -0.707 29.580 30.300 -0.021 0.000 0.873 464 R HN 0.332 nan 8.270 nan 0.000 0.469 465 V N 0.980 120.889 119.914 -0.009 0.000 2.252 465 V HA -0.253 3.867 4.120 -0.000 0.000 0.249 465 V C 1.977 178.006 176.094 -0.108 0.000 1.056 465 V CA 2.375 64.675 62.300 -0.000 0.000 1.022 465 V CB -0.134 31.777 31.823 0.147 0.000 0.641 465 V HN 0.441 nan 8.190 nan 0.000 0.445 466 I N -0.608 119.882 120.570 -0.133 0.000 3.251 466 I HA -0.094 4.076 4.170 -0.000 0.000 0.277 466 I C 2.363 178.215 176.117 -0.441 0.000 1.268 466 I CA 0.935 62.128 61.300 -0.179 0.000 1.449 466 I CB -0.507 37.416 38.000 -0.128 0.000 1.083 466 I HN 0.423 nan 8.210 nan 0.000 0.464 467 Q N 1.752 121.164 119.800 -0.647 0.000 2.167 467 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 467 Q C 2.197 177.892 176.000 -0.507 0.000 0.970 467 Q CA 1.518 56.708 55.803 -1.023 0.000 0.855 467 Q CB 0.210 28.522 28.738 -0.710 0.000 0.911 467 Q HN 0.592 nan 8.270 nan 0.000 0.438 468 I N -0.773 119.613 120.570 -0.306 0.000 2.867 468 I HA -0.136 4.034 4.170 -0.000 0.000 0.265 468 I C 2.033 178.113 176.117 -0.060 0.000 1.162 468 I CA 0.067 61.268 61.300 -0.165 0.000 1.471 468 I CB 0.228 38.087 38.000 -0.236 0.000 1.123 468 I HN 0.004 nan 8.210 nan 0.000 0.440 469 V N 1.614 121.483 119.914 -0.076 0.000 2.282 469 V HA -0.329 3.791 4.120 -0.000 0.000 0.249 469 V C 2.372 178.467 176.094 0.002 0.000 1.057 469 V CA 2.032 64.324 62.300 -0.014 0.000 1.032 469 V CB -0.432 31.395 31.823 0.007 0.000 0.645 469 V HN 0.286 nan 8.190 nan 0.000 0.447 470 I N 0.620 121.202 120.570 0.019 0.000 2.151 470 I HA -0.406 3.764 4.170 -0.000 0.000 0.236 470 I C 2.279 178.426 176.117 0.050 0.000 1.000 470 I CA 2.518 63.862 61.300 0.074 0.000 1.285 470 I CB -0.610 37.468 38.000 0.130 0.000 0.994 470 I HN 0.390 nan 8.210 nan 0.000 0.396 471 N N 0.136 118.872 118.700 0.060 0.000 2.272 471 N HA -0.164 4.576 4.740 -0.000 0.000 0.185 471 N C 0.893 176.383 175.510 -0.033 0.000 1.014 471 N CA 0.979 54.069 53.050 0.067 0.000 0.870 471 N CB -0.196 38.379 38.487 0.146 0.000 0.975 471 N HN 0.329 nan 8.380 nan 0.000 0.433 472 R N 0.870 121.298 120.500 -0.120 0.000 2.576 472 R HA 0.063 4.403 4.340 -0.000 0.000 0.283 472 R C -0.189 176.017 176.300 -0.157 0.000 1.493 472 R CA -0.356 55.568 56.100 -0.292 0.000 1.170 472 R CB 0.479 30.278 30.300 -0.835 0.000 1.189 472 R HN 0.033 nan 8.270 nan 0.000 0.542 473 D N 3.132 123.472 120.400 -0.101 0.000 2.083 473 D HA -0.229 4.411 4.640 -0.000 0.000 0.199 473 D C 0.479 176.723 176.300 -0.094 0.000 0.980 473 D CA 1.455 55.401 54.000 -0.090 0.000 0.851 473 D CB -0.529 40.224 40.800 -0.078 0.000 0.997 473 D HN 0.678 nan 8.370 nan 0.000 0.449 474 D N 0.254 120.605 120.400 -0.082 0.000 2.996 474 D HA -0.225 4.414 4.640 -0.000 0.000 0.212 474 D C 0.856 177.140 176.300 -0.026 0.000 1.156 474 D CA 1.390 55.357 54.000 -0.056 0.000 0.661 474 D CB -1.539 39.223 40.800 -0.063 0.000 1.063 474 D HN 0.464 nan 8.370 nan 0.000 0.406 475 V N -5.693 114.210 119.914 -0.018 0.000 3.823 475 V HA 0.169 4.289 4.120 -0.000 0.000 0.511 475 V C 1.482 177.606 176.094 0.050 0.000 1.722 475 V CA -0.431 61.911 62.300 0.070 0.000 2.032 475 V CB -0.696 31.195 31.823 0.114 0.000 1.128 475 V HN 0.094 nan 8.190 nan 0.000 0.581 476 Q N 1.867 121.613 119.800 -0.089 0.000 2.172 476 Q HA 0.085 4.425 4.340 -0.000 0.000 0.200 476 Q C 2.087 178.034 176.000 -0.090 0.000 0.964 476 Q CA 1.706 57.359 55.803 -0.250 0.000 0.855 476 Q CB 0.070 28.424 28.738 -0.641 0.000 0.918 476 Q HN 0.789 nan 8.270 nan 0.000 0.444 477 G N -0.633 108.162 108.800 -0.008 0.000 2.880 477 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.209 477 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.209 477 G C 0.933 175.892 174.900 0.099 0.000 1.157 477 G CA -0.070 45.061 45.100 0.052 0.000 0.779 477 G HN 0.259 nan 8.290 nan 0.000 0.539 478 Y N 1.915 122.225 120.300 0.017 0.000 2.138 478 Y HA 0.201 4.751 4.550 -0.000 0.000 0.286 478 Y C 2.837 178.775 175.900 0.062 0.000 1.115 478 Y CA 1.254 59.379 58.100 0.041 0.000 1.105 478 Y CB -0.600 37.885 38.460 0.042 0.000 1.004 478 Y HN 0.184 nan 8.280 nan 0.000 0.494 479 A N 1.144 123.955 122.820 -0.015 0.000 1.929 479 A HA -0.354 3.966 4.320 -0.000 0.000 0.221 479 A C 2.427 179.979 177.584 -0.054 0.000 1.211 479 A CA 3.063 55.068 52.037 -0.053 0.000 0.657 479 A CB -1.752 17.285 19.000 0.063 0.000 0.827 479 A HN 0.719 nan 8.150 nan 0.000 0.462 480 A N -0.411 122.419 122.820 0.017 0.000 1.858 480 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 480 A C 2.131 179.770 177.584 0.091 0.000 1.190 480 A CA 2.305 54.401 52.037 0.098 0.000 0.617 480 A CB -0.532 18.546 19.000 0.130 0.000 0.827 480 A HN 0.642 nan 8.150 nan 0.000 0.443 481 K N -0.735 119.668 120.400 0.005 0.000 2.063 481 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 481 K C 1.937 178.552 176.600 0.024 0.000 1.048 481 K CA 2.131 58.430 56.287 0.020 0.000 0.928 481 K CB -0.462 32.027 32.500 -0.018 0.000 0.713 481 K HN 0.446 nan 8.250 nan 0.000 0.442 482 T N 0.439 114.878 114.554 -0.192 0.000 2.701 482 T HA -0.110 4.240 4.350 -0.000 0.000 0.263 482 T C 1.914 176.590 174.700 -0.041 0.000 1.040 482 T CA 1.356 63.338 62.100 -0.197 0.000 1.147 482 T CB -0.372 68.219 68.868 -0.463 0.000 0.865 482 T HN 0.012 nan 8.240 nan 0.000 0.426 483 V N 1.208 121.118 119.914 -0.007 0.000 2.324 483 V HA -0.192 3.928 4.120 -0.000 0.000 0.250 483 V C 1.984 178.138 176.094 0.100 0.000 1.060 483 V CA 1.940 64.278 62.300 0.062 0.000 1.042 483 V CB -0.683 31.208 31.823 0.113 0.000 0.650 483 V HN 0.480 nan 8.190 nan 0.000 0.450 484 F N 0.994 120.951 119.950 0.013 0.000 2.074 484 F HA -0.107 4.419 4.527 -0.000 0.000 0.293 484 F C 2.447 178.257 175.800 0.016 0.000 1.116 484 F CA 1.932 59.954 58.000 0.035 0.000 1.212 484 F CB -0.225 38.806 39.000 0.052 0.000 0.998 484 F HN 0.131 nan 8.300 nan 0.000 0.471 485 E N 0.381 120.723 120.200 0.237 0.000 2.418 485 E HA -0.098 4.252 4.350 -0.000 0.000 0.197 485 E C 2.127 178.707 176.600 -0.033 0.000 1.026 485 E CA 0.514 56.972 56.400 0.096 0.000 0.862 485 E CB -0.185 29.634 29.700 0.198 0.000 0.799 485 E HN 0.547 nan 8.360 nan 0.000 0.518 486 A N 1.260 124.058 122.820 -0.037 0.000 1.840 486 A HA -0.106 4.213 4.320 -0.000 0.000 0.214 486 A C 2.142 179.658 177.584 -0.112 0.000 1.198 486 A CA 0.699 52.698 52.037 -0.064 0.000 0.608 486 A CB -0.636 18.339 19.000 -0.041 0.000 0.839 486 A HN 0.144 nan 8.150 nan 0.000 0.443 487 L N 0.204 121.346 121.223 -0.135 0.000 2.129 487 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 487 L C 2.234 178.976 176.870 -0.213 0.000 1.087 487 L CA 1.661 56.407 54.840 -0.158 0.000 0.757 487 L CB -0.365 41.606 42.059 -0.146 0.000 0.896 487 L HN 0.733 nan 8.230 nan 0.000 0.434 488 Q N -0.142 119.470 119.800 -0.313 0.000 2.414 488 Q HA 0.344 4.684 4.340 -0.000 0.000 0.286 488 Q C -0.005 175.906 176.000 -0.148 0.000 0.941 488 Q CA -0.248 55.394 55.803 -0.268 0.000 0.951 488 Q CB 0.188 28.690 28.738 -0.394 0.000 1.188 488 Q HN 0.283 nan 8.270 nan 0.000 0.418 489 A N 1.680 124.429 122.820 -0.118 0.000 2.301 489 A HA 0.458 4.778 4.320 -0.000 0.000 0.298 489 A C -1.947 175.592 177.584 -0.075 0.000 1.185 489 A CA -1.807 50.180 52.037 -0.082 0.000 0.830 489 A CB 0.543 19.495 19.000 -0.079 0.000 1.112 489 A HN 0.262 nan 8.150 nan 0.000 0.508 490 P HA 0.023 nan 4.420 nan 0.000 0.244 490 P C 0.942 178.219 177.300 -0.039 0.000 1.211 490 P CA 1.267 64.341 63.100 -0.044 0.000 0.760 490 P CB 0.282 31.963 31.700 -0.031 0.000 0.961 491 A N -0.231 122.560 122.820 -0.049 0.000 1.896 491 A HA 0.029 4.349 4.320 -0.000 0.000 0.213 491 A C 1.013 178.558 177.584 -0.065 0.000 1.306 491 A CA 0.553 52.561 52.037 -0.048 0.000 0.626 491 A CB -1.192 17.775 19.000 -0.056 0.000 0.994 491 A HN 0.399 nan 8.150 nan 0.000 0.475 492 C N 2.602 121.838 119.300 -0.108 0.000 1.833 492 C HA 0.005 4.465 4.460 -0.000 0.000 0.420 492 C C 0.578 175.519 174.990 -0.081 0.000 1.476 492 C CA 0.503 59.428 59.018 -0.155 0.000 1.582 492 C CB -1.943 25.723 27.740 -0.124 0.000 2.810 492 C HN 0.888 nan 8.230 nan 0.000 0.542 493 H N 1.641 120.681 119.070 -0.050 0.000 2.812 493 H HA 0.488 5.043 4.556 -0.000 0.000 0.355 493 H C 0.818 176.085 175.328 -0.101 0.000 1.207 493 H CA -0.014 55.993 56.048 -0.069 0.000 1.217 493 H CB 0.766 30.494 29.762 -0.057 0.000 1.874 493 H HN 0.756 nan 8.280 nan 0.000 0.581 494 E N 0.645 120.873 120.200 0.047 0.000 2.086 494 E HA -0.268 4.082 4.350 -0.000 0.000 0.205 494 E C 1.181 177.681 176.600 -0.167 0.000 1.027 494 E CA 2.318 58.657 56.400 -0.100 0.000 0.830 494 E CB -0.219 29.378 29.700 -0.173 0.000 0.751 494 E HN 0.660 nan 8.360 nan 0.000 0.456 495 N N -0.263 118.314 118.700 -0.205 0.000 2.512 495 N HA -0.101 4.638 4.740 -0.000 0.000 0.183 495 N C 1.644 177.030 175.510 -0.206 0.000 1.073 495 N CA 0.567 53.394 53.050 -0.372 0.000 0.911 495 N CB -0.032 38.183 38.487 -0.453 0.000 0.964 495 N HN 0.188 nan 8.380 nan 0.000 0.447 496 L N 1.103 122.298 121.223 -0.047 0.000 2.005 496 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 496 L C 2.159 179.010 176.870 -0.032 0.000 1.072 496 L CA 1.242 56.071 54.840 -0.018 0.000 0.744 496 L CB -0.604 41.448 42.059 -0.012 0.000 0.895 496 L HN -0.164 nan 8.230 nan 0.000 0.433 497 V N -0.083 119.801 119.914 -0.050 0.000 2.380 497 V HA -0.335 3.784 4.120 -0.000 0.000 0.251 497 V C 2.613 178.678 176.094 -0.049 0.000 1.063 497 V CA 1.913 64.185 62.300 -0.046 0.000 1.055 497 V CB -0.788 30.994 31.823 -0.069 0.000 0.657 497 V HN 0.451 nan 8.190 nan 0.000 0.455 498 K N -0.130 120.192 120.400 -0.131 0.000 2.001 498 K HA -0.104 4.216 4.320 -0.000 0.000 0.208 498 K C 1.981 178.610 176.600 0.050 0.000 1.048 498 K CA 1.748 57.949 56.287 -0.143 0.000 0.932 498 K CB -0.307 31.868 32.500 -0.541 0.000 0.715 498 K HN 0.472 nan 8.250 nan 0.000 0.437 499 V N -0.266 119.671 119.914 0.039 0.000 2.878 499 V HA -0.004 4.116 4.120 -0.000 0.000 0.250 499 V C 2.267 178.509 176.094 0.247 0.000 1.075 499 V CA 1.587 64.036 62.300 0.248 0.000 1.096 499 V CB -0.532 31.456 31.823 0.275 0.000 0.724 499 V HN 0.374 nan 8.190 nan 0.000 0.467 500 G N 0.950 109.836 108.800 0.144 0.000 2.403 500 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.216 500 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.216 500 G C 1.564 176.551 174.900 0.144 0.000 1.154 500 G CA 0.805 45.988 45.100 0.137 0.000 0.784 500 G HN 0.573 nan 8.290 nan 0.000 0.538 501 G N -0.694 108.170 108.800 0.107 0.000 2.484 501 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.218 501 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.218 501 G C 1.493 176.436 174.900 0.072 0.000 1.130 501 G CA 0.815 45.954 45.100 0.066 0.000 0.784 501 G HN 0.437 nan 8.290 nan 0.000 0.543 502 Y N 0.732 121.090 120.300 0.097 0.000 2.231 502 Y HA 0.156 4.706 4.550 -0.000 0.000 0.294 502 Y C 2.527 178.526 175.900 0.165 0.000 1.120 502 Y CA 0.805 58.982 58.100 0.128 0.000 1.141 502 Y CB 0.000 38.574 38.460 0.190 0.000 1.022 502 Y HN 0.124 nan 8.280 nan 0.000 0.523 503 I N -0.045 120.738 120.570 0.355 0.000 2.058 503 I HA -0.371 3.798 4.170 -0.000 0.000 0.235 503 I C 2.269 178.560 176.117 0.291 0.000 1.053 503 I CA 1.688 63.219 61.300 0.385 0.000 1.313 503 I CB -0.694 37.503 38.000 0.330 0.000 1.039 503 I HN 0.203 nan 8.210 nan 0.000 0.396 504 L N 0.586 121.961 121.223 0.252 0.000 2.137 504 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 504 L C 2.622 179.643 176.870 0.252 0.000 1.085 504 L CA 1.549 56.568 54.840 0.299 0.000 0.760 504 L CB -1.274 40.994 42.059 0.348 0.000 0.893 504 L HN 0.425 nan 8.230 nan 0.000 0.434 505 G N -0.555 108.250 108.800 0.008 0.000 2.440 505 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 505 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 505 G C 1.521 176.293 174.900 -0.213 0.000 1.154 505 G CA 0.818 45.827 45.100 -0.152 0.000 0.767 505 G HN 0.304 nan 8.290 nan 0.000 0.552 506 E N -0.588 119.389 120.200 -0.371 0.000 2.400 506 E HA 0.183 4.533 4.350 -0.000 0.000 0.195 506 E C 0.544 176.481 176.600 -1.105 0.000 1.012 506 E CA 0.177 56.116 56.400 -0.767 0.000 0.875 506 E CB 0.089 29.233 29.700 -0.926 0.000 0.859 506 E HN 0.453 nan 8.360 nan 0.000 0.498 507 F N -2.858 117.122 119.950 0.050 0.000 2.944 507 F HA 0.373 4.900 4.527 -0.000 0.000 0.332 507 F C 1.547 177.416 175.800 0.114 0.000 1.215 507 F CA -0.188 57.850 58.000 0.064 0.000 1.079 507 F CB 0.057 39.099 39.000 0.070 0.000 1.272 507 F HN -0.021 nan 8.300 nan 0.000 0.509 508 G N 1.392 110.383 108.800 0.318 0.000 2.631 508 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.221 508 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.221 508 G C 1.296 176.410 174.900 0.357 0.000 1.095 508 G CA 1.674 47.006 45.100 0.386 0.000 0.727 508 G HN 0.659 nan 8.290 nan 0.000 0.587 509 N N 0.290 119.137 118.700 0.245 0.000 2.166 509 N HA -0.025 4.715 4.740 -0.000 0.000 0.186 509 N C 1.785 177.400 175.510 0.175 0.000 1.019 509 N CA 0.658 53.834 53.050 0.210 0.000 0.856 509 N CB -0.352 38.165 38.487 0.051 0.000 0.993 509 N HN 0.339 nan 8.380 nan 0.000 0.426 510 L N -0.036 121.281 121.223 0.158 0.000 2.650 510 L HA 0.197 4.537 4.340 -0.000 0.000 0.235 510 L C 1.147 178.056 176.870 0.065 0.000 1.149 510 L CA 0.508 55.410 54.840 0.104 0.000 0.887 510 L CB -0.147 41.973 42.059 0.102 0.000 1.021 510 L HN 0.342 nan 8.230 nan 0.000 0.441 511 I N -1.522 119.087 120.570 0.064 0.000 4.665 511 I HA 0.087 4.257 4.170 -0.000 0.000 0.360 511 I C 1.929 177.999 176.117 -0.079 0.000 1.259 511 I CA 0.122 61.404 61.300 -0.030 0.000 1.301 511 I CB 0.588 38.544 38.000 -0.074 0.000 1.746 511 I HN 0.023 nan 8.210 nan 0.000 0.598 512 A N 0.617 123.439 122.820 0.003 0.000 2.168 512 A HA 0.135 4.455 4.320 -0.000 0.000 0.215 512 A C 2.129 179.636 177.584 -0.128 0.000 1.152 512 A CA 1.506 53.461 52.037 -0.137 0.000 0.716 512 A CB -0.635 18.236 19.000 -0.216 0.000 0.794 512 A HN 0.422 nan 8.150 nan 0.000 0.465 513 G N -0.198 108.575 108.800 -0.046 0.000 2.395 513 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.214 513 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.214 513 G C 0.572 175.435 174.900 -0.062 0.000 1.177 513 G CA 0.611 45.686 45.100 -0.042 0.000 0.794 513 G HN 0.504 nan 8.290 nan 0.000 0.532 514 D N 1.458 121.815 120.400 -0.072 0.000 2.586 514 D HA 0.020 4.660 4.640 -0.000 0.000 0.234 514 D C -0.891 175.348 176.300 -0.102 0.000 1.132 514 D CA -1.561 52.388 54.000 -0.085 0.000 0.860 514 D CB 1.584 42.317 40.800 -0.111 0.000 1.159 514 D HN 0.149 nan 8.370 nan 0.000 0.490 515 P HA -0.062 nan 4.420 nan 0.000 0.231 515 P C 0.781 178.053 177.300 -0.046 0.000 1.168 515 P CA 0.459 63.522 63.100 -0.062 0.000 0.779 515 P CB 0.115 31.791 31.700 -0.040 0.000 0.844 516 R N 0.388 120.866 120.500 -0.037 0.000 2.388 516 R HA 0.211 4.551 4.340 -0.000 0.000 0.247 516 R C 0.335 176.646 176.300 0.018 0.000 0.931 516 R CA 0.245 56.353 56.100 0.013 0.000 1.082 516 R CB -0.611 29.715 30.300 0.043 0.000 1.135 516 R HN 0.078 nan 8.270 nan 0.000 0.525 517 S N -0.425 115.191 115.700 -0.141 0.000 2.740 517 S HA 0.144 4.614 4.470 -0.000 0.000 0.244 517 S C 0.099 174.570 174.600 -0.216 0.000 1.101 517 S CA -0.531 57.448 58.200 -0.368 0.000 1.123 517 S CB 0.275 62.932 63.200 -0.903 0.000 1.012 517 S HN 0.340 nan 8.310 nan 0.000 0.491 518 S N 1.283 116.911 115.700 -0.121 0.000 2.617 518 S HA 0.427 4.896 4.470 -0.000 0.000 0.259 518 S C -1.784 172.632 174.600 -0.306 0.000 1.301 518 S CA -0.769 57.302 58.200 -0.215 0.000 0.984 518 S CB 0.096 63.194 63.200 -0.170 0.000 0.954 518 S HN 0.130 nan 8.310 nan 0.000 0.572 519 P HA -0.104 nan 4.420 nan 0.000 0.214 519 P C 1.906 178.996 177.300 -0.351 0.000 1.163 519 P CA 0.482 63.005 63.100 -0.962 0.000 0.883 519 P CB -0.095 30.630 31.700 -1.625 0.000 0.788 520 L N -0.265 120.825 121.223 -0.221 0.000 1.990 520 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 520 L C 2.127 179.082 176.870 0.142 0.000 1.072 520 L CA 2.260 57.100 54.840 -0.000 0.000 0.755 520 L CB -1.274 40.764 42.059 -0.036 0.000 0.889 520 L HN -0.046 nan 8.230 nan 0.000 0.432 521 I N -0.108 120.515 120.570 0.087 0.000 2.118 521 I HA -0.405 3.765 4.170 -0.000 0.000 0.241 521 I C 2.729 178.996 176.117 0.250 0.000 1.070 521 I CA 1.571 62.963 61.300 0.154 0.000 1.327 521 I CB -0.443 37.654 38.000 0.161 0.000 1.034 521 I HN 0.451 nan 8.210 nan 0.000 0.405 522 Q N 0.044 120.036 119.800 0.320 0.000 2.012 522 Q HA -0.308 4.032 4.340 -0.000 0.000 0.211 522 Q C 2.169 178.475 176.000 0.510 0.000 1.009 522 Q CA 2.723 58.816 55.803 0.483 0.000 0.866 522 Q CB -0.488 28.576 28.738 0.545 0.000 0.945 522 Q HN 0.472 nan 8.270 nan 0.000 0.414 523 F N 1.777 122.019 119.950 0.487 0.000 2.011 523 F HA -0.292 4.235 4.527 -0.000 0.000 0.296 523 F C 1.938 177.848 175.800 0.184 0.000 1.144 523 F CA 1.887 60.105 58.000 0.364 0.000 1.185 523 F CB -0.724 38.413 39.000 0.228 0.000 0.961 523 F HN 0.076 nan 8.300 nan 0.000 0.485 524 N N 0.874 119.513 118.700 -0.101 0.000 2.060 524 N HA -0.265 4.475 4.740 -0.000 0.000 0.195 524 N C 1.977 177.401 175.510 -0.142 0.000 1.028 524 N CA 1.944 54.848 53.050 -0.243 0.000 0.861 524 N CB -0.789 37.717 38.487 0.032 0.000 1.029 524 N HN 0.400 nan 8.380 nan 0.000 0.428 525 L N 1.912 123.124 121.223 -0.019 0.000 1.990 525 L HA -0.154 4.186 4.340 -0.000 0.000 0.213 525 L C 2.294 179.170 176.870 0.010 0.000 1.072 525 L CA 1.390 56.224 54.840 -0.010 0.000 0.755 525 L CB -0.588 41.463 42.059 -0.015 0.000 0.889 525 L HN 0.143 nan 8.230 nan 0.000 0.432 526 L N -1.237 120.027 121.223 0.068 0.000 2.012 526 L HA -0.309 4.031 4.340 -0.000 0.000 0.210 526 L C 2.639 179.623 176.870 0.190 0.000 1.073 526 L CA 2.031 56.961 54.840 0.150 0.000 0.748 526 L CB -1.358 40.876 42.059 0.293 0.000 0.891 526 L HN 0.509 nan 8.230 nan 0.000 0.431 527 H N -0.041 118.990 119.070 -0.065 0.000 2.545 527 H HA -0.091 4.465 4.556 -0.000 0.000 0.282 527 H C 2.324 177.657 175.328 0.008 0.000 1.020 527 H CA 1.111 57.124 56.048 -0.059 0.000 1.243 527 H CB 0.485 29.916 29.762 -0.550 0.000 1.377 527 H HN 0.372 nan 8.280 nan 0.000 0.581 528 S N -0.088 115.606 115.700 -0.011 0.000 2.522 528 S HA -0.018 4.452 4.470 -0.000 0.000 0.227 528 S C 1.558 176.151 174.600 -0.012 0.000 0.986 528 S CA 0.197 58.381 58.200 -0.026 0.000 0.929 528 S CB 0.177 63.363 63.200 -0.024 0.000 0.769 528 S HN 0.229 nan 8.310 nan 0.000 0.529 529 K N 0.390 120.800 120.400 0.017 0.000 2.276 529 K HA 0.282 4.602 4.320 -0.000 0.000 0.198 529 K C 1.382 177.988 176.600 0.010 0.000 1.052 529 K CA 0.143 56.432 56.287 0.005 0.000 0.984 529 K CB -1.127 31.370 32.500 -0.004 0.000 0.836 529 K HN 0.410 nan 8.250 nan 0.000 0.490 530 F N 2.453 122.334 119.950 -0.115 0.000 2.024 530 F HA -0.291 4.236 4.527 -0.000 0.000 0.296 530 F C 1.896 177.579 175.800 -0.195 0.000 1.137 530 F CA 1.962 59.871 58.000 -0.151 0.000 1.200 530 F CB -0.414 38.508 39.000 -0.130 0.000 0.954 530 F HN 0.194 nan 8.300 nan 0.000 0.497 531 H N -0.408 118.717 119.070 0.092 0.000 2.562 531 H HA 0.102 4.657 4.556 -0.000 0.000 0.274 531 H C 1.297 176.601 175.328 -0.040 0.000 1.038 531 H CA 0.580 56.647 56.048 0.031 0.000 1.161 531 H CB -0.203 29.583 29.762 0.041 0.000 1.318 531 H HN 0.286 nan 8.280 nan 0.000 0.617 532 L N -1.356 119.857 121.223 -0.016 0.000 2.731 532 L HA 0.157 4.496 4.340 -0.000 0.000 0.240 532 L C 0.392 177.197 176.870 -0.109 0.000 1.120 532 L CA -0.214 54.600 54.840 -0.044 0.000 0.913 532 L CB 0.527 42.568 42.059 -0.029 0.000 1.213 532 L HN 0.223 nan 8.230 nan 0.000 0.515 533 C N 0.265 119.450 119.300 -0.192 0.000 2.480 533 C HA 0.359 4.819 4.460 -0.000 0.000 0.358 533 C C 1.556 176.409 174.990 -0.229 0.000 1.309 533 C CA -0.806 58.075 59.018 -0.229 0.000 2.465 533 C CB 1.258 28.806 27.740 -0.320 0.000 2.379 533 C HN 0.514 nan 8.230 nan 0.000 0.642 534 S N 0.662 116.245 115.700 -0.195 0.000 2.617 534 S HA 0.181 4.651 4.470 -0.000 0.000 0.255 534 S C 1.082 175.568 174.600 -0.189 0.000 1.318 534 S CA 0.142 58.247 58.200 -0.160 0.000 0.978 534 S CB 0.354 63.481 63.200 -0.121 0.000 0.961 534 S HN 1.180 nan 8.310 nan 0.000 0.582 535 V N -2.165 117.670 119.914 -0.132 0.000 2.407 535 V HA 0.144 4.264 4.120 -0.000 0.000 0.245 535 V C -0.845 175.194 176.094 -0.091 0.000 1.041 535 V CA 0.747 62.974 62.300 -0.123 0.000 1.040 535 V CB -2.146 29.634 31.823 -0.072 0.000 0.671 535 V HN 0.792 nan 8.190 nan 0.000 0.455 536 P HA -0.030 nan 4.420 nan 0.000 0.230 536 P C 1.472 178.765 177.300 -0.011 0.000 1.158 536 P CA 1.386 64.484 63.100 -0.003 0.000 0.769 536 P CB -0.088 31.637 31.700 0.041 0.000 0.807 537 T N -0.808 113.694 114.554 -0.087 0.000 3.010 537 T HA 0.104 4.454 4.350 -0.000 0.000 0.252 537 T C 1.957 176.526 174.700 -0.219 0.000 1.047 537 T CA 0.465 62.488 62.100 -0.127 0.000 1.140 537 T CB -0.119 68.644 68.868 -0.175 0.000 0.885 537 T HN 0.102 nan 8.240 nan 0.000 0.464 538 R N 1.107 121.405 120.500 -0.338 0.000 2.092 538 R HA 0.087 4.427 4.340 -0.000 0.000 0.231 538 R C 2.767 178.972 176.300 -0.159 0.000 1.119 538 R CA 1.060 56.849 56.100 -0.519 0.000 0.970 538 R CB -0.428 29.444 30.300 -0.714 0.000 0.864 538 R HN 0.308 nan 8.270 nan 0.000 0.440 539 A N 1.668 124.444 122.820 -0.073 0.000 1.896 539 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 539 A C 2.139 179.756 177.584 0.055 0.000 1.206 539 A CA 1.538 53.590 52.037 0.026 0.000 0.647 539 A CB -0.841 18.179 19.000 0.034 0.000 0.828 539 A HN 0.267 nan 8.150 nan 0.000 0.455 540 L N -0.845 120.396 121.223 0.029 0.000 1.994 540 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 540 L C 2.702 179.557 176.870 -0.024 0.000 1.071 540 L CA 1.612 56.488 54.840 0.059 0.000 0.745 540 L CB -0.454 41.666 42.059 0.101 0.000 0.892 540 L HN 0.460 nan 8.230 nan 0.000 0.431 541 L N -0.485 120.666 121.223 -0.120 0.000 2.042 541 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 541 L C 2.197 178.820 176.870 -0.413 0.000 1.076 541 L CA 1.163 55.801 54.840 -0.337 0.000 0.749 541 L CB -0.435 41.448 42.059 -0.293 0.000 0.893 541 L HN 0.318 nan 8.230 nan 0.000 0.432 542 L N -0.982 120.238 121.223 -0.006 0.000 2.711 542 L HA -0.062 4.277 4.340 -0.000 0.000 0.242 542 L C 1.757 178.770 176.870 0.238 0.000 1.153 542 L CA 0.067 55.019 54.840 0.187 0.000 0.898 542 L CB -0.153 42.086 42.059 0.300 0.000 1.044 542 L HN 0.155 nan 8.230 nan 0.000 0.437 543 S N -2.204 113.537 115.700 0.069 0.000 2.931 543 S HA -0.028 4.442 4.470 -0.000 0.000 0.251 543 S C 1.821 176.328 174.600 -0.155 0.000 1.078 543 S CA 0.370 58.528 58.200 -0.069 0.000 0.835 543 S CB 0.404 63.630 63.200 0.043 0.000 0.798 543 S HN 0.306 nan 8.310 nan 0.000 0.495 544 T N 1.981 116.455 114.554 -0.133 0.000 2.592 544 T HA -0.231 4.119 4.350 -0.000 0.000 0.267 544 T C 1.372 175.993 174.700 -0.133 0.000 1.060 544 T CA 1.862 63.845 62.100 -0.195 0.000 1.167 544 T CB -0.807 67.928 68.868 -0.221 0.000 0.863 544 T HN 0.488 nan 8.240 nan 0.000 0.431 545 Y N 0.166 120.359 120.300 -0.178 0.000 2.298 545 Y HA -0.082 4.468 4.550 -0.000 0.000 0.287 545 Y C 2.495 178.366 175.900 -0.049 0.000 1.164 545 Y CA 0.280 58.327 58.100 -0.088 0.000 1.229 545 Y CB -0.155 38.336 38.460 0.052 0.000 0.977 545 Y HN 0.226 nan 8.280 nan 0.000 0.538 546 I N -0.030 120.534 120.570 -0.011 0.000 2.585 546 I HA -0.211 3.959 4.170 -0.000 0.000 0.254 546 I C 1.720 177.776 176.117 -0.101 0.000 1.129 546 I CA 0.803 62.028 61.300 -0.124 0.000 1.455 546 I CB 0.007 37.737 38.000 -0.449 0.000 1.111 546 I HN 0.140 nan 8.210 nan 0.000 0.433 547 K N 0.407 120.735 120.400 -0.119 0.000 2.113 547 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 547 K C 1.910 178.527 176.600 0.027 0.000 1.047 547 K CA 1.605 57.841 56.287 -0.085 0.000 0.928 547 K CB -0.329 32.097 32.500 -0.122 0.000 0.716 547 K HN 0.111 nan 8.250 nan 0.000 0.446 548 F N 1.025 120.916 119.950 -0.098 0.000 2.087 548 F HA -0.247 4.280 4.527 -0.000 0.000 0.299 548 F C 2.256 178.036 175.800 -0.034 0.000 1.100 548 F CA 0.922 58.909 58.000 -0.023 0.000 1.226 548 F CB -0.876 38.196 39.000 0.120 0.000 0.983 548 F HN -0.222 nan 8.300 nan 0.000 0.479 549 V N 0.107 120.079 119.914 0.096 0.000 2.332 549 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 549 V C 2.365 178.441 176.094 -0.029 0.000 1.055 549 V CA 2.081 64.386 62.300 0.008 0.000 1.038 549 V CB -0.826 30.988 31.823 -0.015 0.000 0.651 549 V HN 0.451 nan 8.190 nan 0.000 0.450 550 N N 0.217 118.882 118.700 -0.058 0.000 2.028 550 N HA -0.143 4.597 4.740 -0.000 0.000 0.194 550 N C 1.945 177.369 175.510 -0.144 0.000 1.050 550 N CA 1.637 54.633 53.050 -0.091 0.000 0.848 550 N CB -0.072 38.355 38.487 -0.099 0.000 1.038 550 N HN 0.351 nan 8.380 nan 0.000 0.423 551 L N -0.118 120.941 121.223 -0.273 0.000 2.056 551 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 551 L C 0.278 176.920 176.870 -0.381 0.000 1.078 551 L CA 0.935 55.508 54.840 -0.444 0.000 0.749 551 L CB -0.449 41.112 42.059 -0.831 0.000 0.901 551 L HN 0.120 nan 8.230 nan 0.000 0.433 552 F N 0.141 120.011 119.950 -0.133 0.000 2.318 552 F HA 0.333 4.860 4.527 -0.000 0.000 0.356 552 F C -1.713 174.008 175.800 -0.132 0.000 1.109 552 F CA -3.038 54.860 58.000 -0.171 0.000 1.234 552 F CB -0.134 38.684 39.000 -0.305 0.000 1.545 552 F HN -0.129 nan 8.300 nan 0.000 0.534 553 P HA -0.023 nan 4.420 nan 0.000 0.242 553 P C 0.769 178.063 177.300 -0.010 0.000 1.197 553 P CA 0.817 63.919 63.100 0.004 0.000 0.765 553 P CB 0.172 31.867 31.700 -0.009 0.000 0.936 554 E N -0.820 119.378 120.200 -0.004 0.000 2.216 554 E HA -0.025 4.325 4.350 -0.000 0.000 0.192 554 E C 1.150 177.704 176.600 -0.077 0.000 0.988 554 E CA 0.619 56.992 56.400 -0.045 0.000 0.834 554 E CB -0.058 29.603 29.700 -0.065 0.000 0.772 554 E HN 0.052 nan 8.360 nan 0.000 0.479 555 V N 0.886 120.743 119.914 -0.094 0.000 2.991 555 V HA 0.096 4.216 4.120 -0.000 0.000 0.355 555 V C 1.225 177.215 176.094 -0.174 0.000 1.384 555 V CA -0.127 62.082 62.300 -0.152 0.000 1.171 555 V CB 0.155 31.853 31.823 -0.208 0.000 1.190 555 V HN 0.056 nan 8.190 nan 0.000 0.540 556 K N 0.679 121.013 120.400 -0.110 0.000 2.209 556 K HA -0.087 4.233 4.320 -0.000 0.000 0.204 556 K C 1.763 178.292 176.600 -0.119 0.000 1.048 556 K CA 1.807 58.035 56.287 -0.100 0.000 0.940 556 K CB -0.003 32.463 32.500 -0.057 0.000 0.729 556 K HN 0.595 nan 8.250 nan 0.000 0.451 557 A N 0.353 123.103 122.820 -0.117 0.000 1.935 557 A HA -0.042 4.278 4.320 -0.000 0.000 0.214 557 A C 2.032 179.533 177.584 -0.138 0.000 1.178 557 A CA 1.579 53.555 52.037 -0.102 0.000 0.640 557 A CB -0.609 18.346 19.000 -0.075 0.000 0.825 557 A HN 0.438 nan 8.150 nan 0.000 0.447 558 T N 0.329 114.763 114.554 -0.201 0.000 2.867 558 T HA -0.034 4.316 4.350 -0.000 0.000 0.268 558 T C 1.794 176.250 174.700 -0.408 0.000 1.057 558 T CA 1.290 63.230 62.100 -0.265 0.000 1.136 558 T CB -0.382 68.304 68.868 -0.302 0.000 0.874 558 T HN 0.377 nan 8.240 nan 0.000 0.466 559 I N 1.161 121.440 120.570 -0.485 0.000 2.142 559 I HA -0.227 3.942 4.170 -0.000 0.000 0.240 559 I C 2.977 178.979 176.117 -0.192 0.000 1.078 559 I CA 1.479 62.525 61.300 -0.424 0.000 1.343 559 I CB -0.419 37.408 38.000 -0.289 0.000 1.046 559 I HN 0.254 nan 8.210 nan 0.000 0.405 560 Q N 0.186 119.909 119.800 -0.129 0.000 2.135 560 Q HA -0.236 4.103 4.340 -0.000 0.000 0.204 560 Q C 1.454 177.428 176.000 -0.042 0.000 0.981 560 Q CA 1.450 57.218 55.803 -0.058 0.000 0.856 560 Q CB -0.070 28.642 28.738 -0.045 0.000 0.902 560 Q HN 0.535 nan 8.270 nan 0.000 0.425 561 D N -0.567 119.796 120.400 -0.062 0.000 2.347 561 D HA -0.036 4.604 4.640 -0.000 0.000 0.213 561 D C 1.538 177.826 176.300 -0.020 0.000 0.985 561 D CA 0.416 54.396 54.000 -0.033 0.000 0.879 561 D CB 0.584 41.364 40.800 -0.034 0.000 0.919 561 D HN 0.092 nan 8.370 nan 0.000 0.526 562 V N 0.997 120.885 119.914 -0.044 0.000 2.788 562 V HA -0.091 4.029 4.120 -0.000 0.000 0.251 562 V C 2.488 178.603 176.094 0.034 0.000 1.068 562 V CA 0.631 62.922 62.300 -0.016 0.000 1.090 562 V CB -0.109 31.653 31.823 -0.102 0.000 0.710 562 V HN 0.179 nan 8.190 nan 0.000 0.467 563 L N -0.505 120.739 121.223 0.035 0.000 2.044 563 L HA -0.051 4.289 4.340 -0.000 0.000 0.205 563 L C 2.748 179.655 176.870 0.061 0.000 1.075 563 L CA 1.460 56.344 54.840 0.073 0.000 0.747 563 L CB -0.684 41.427 42.059 0.086 0.000 0.903 563 L HN 0.183 nan 8.230 nan 0.000 0.435 564 R N 0.153 120.677 120.500 0.040 0.000 2.115 564 R HA -0.047 4.293 4.340 -0.000 0.000 0.230 564 R C 1.452 177.776 176.300 0.041 0.000 1.111 564 R CA 0.439 56.559 56.100 0.035 0.000 0.976 564 R CB -0.210 30.102 30.300 0.021 0.000 0.870 564 R HN 0.267 nan 8.270 nan 0.000 0.445 565 S N 0.785 116.513 115.700 0.047 0.000 2.553 565 S HA -0.107 4.363 4.470 -0.000 0.000 0.271 565 S C 0.533 175.175 174.600 0.069 0.000 1.362 565 S CA -0.229 58.005 58.200 0.057 0.000 1.010 565 S CB 0.634 63.875 63.200 0.069 0.000 0.865 565 S HN 0.110 nan 8.310 nan 0.000 0.543 566 D N 1.696 122.135 120.400 0.066 0.000 2.097 566 D HA -0.090 4.550 4.640 -0.000 0.000 0.195 566 D C 2.264 178.619 176.300 0.092 0.000 0.989 566 D CA 1.995 56.035 54.000 0.066 0.000 0.827 566 D CB -0.791 40.042 40.800 0.054 0.000 0.966 566 D HN 0.677 nan 8.370 nan 0.000 0.456 567 S N -0.289 115.486 115.700 0.125 0.000 2.442 567 S HA -0.176 4.294 4.470 -0.000 0.000 0.236 567 S C 1.826 176.543 174.600 0.195 0.000 1.007 567 S CA 0.874 59.184 58.200 0.184 0.000 0.965 567 S CB -0.150 63.217 63.200 0.278 0.000 0.773 567 S HN 0.067 nan 8.310 nan 0.000 0.504 568 Q N 0.783 120.683 119.800 0.166 0.000 2.226 568 Q HA 0.404 4.744 4.340 -0.000 0.000 0.199 568 Q C 2.117 178.183 176.000 0.110 0.000 0.945 568 Q CA 0.904 56.802 55.803 0.158 0.000 0.861 568 Q CB -0.307 28.521 28.738 0.150 0.000 0.953 568 Q HN 0.540 nan 8.270 nan 0.000 0.490 569 L N -0.010 121.264 121.223 0.085 0.000 2.071 569 L HA 0.021 4.361 4.340 -0.000 0.000 0.201 569 L C 0.992 177.893 176.870 0.051 0.000 1.076 569 L CA 0.806 55.681 54.840 0.058 0.000 0.755 569 L CB -0.250 41.837 42.059 0.046 0.000 0.915 569 L HN -0.003 nan 8.230 nan 0.000 0.445 570 K N 1.339 121.771 120.400 0.053 0.000 3.025 570 K HA 0.025 4.345 4.320 -0.000 0.000 0.260 570 K C 0.062 176.695 176.600 0.055 0.000 1.023 570 K CA -0.135 56.180 56.287 0.046 0.000 1.194 570 K CB -0.776 31.749 32.500 0.042 0.000 1.094 570 K HN 0.211 nan 8.250 nan 0.000 0.460 571 N N 1.190 119.927 118.700 0.061 0.000 2.458 571 N HA 0.048 4.788 4.740 -0.000 0.000 0.270 571 N C 0.952 176.488 175.510 0.043 0.000 1.102 571 N CA 0.030 53.120 53.050 0.066 0.000 0.967 571 N CB 1.271 39.806 38.487 0.080 0.000 1.078 571 N HN 0.188 nan 8.380 nan 0.000 0.471 572 A N 3.674 126.518 122.820 0.039 0.000 1.985 572 A HA -0.232 4.088 4.320 -0.000 0.000 0.223 572 A C 0.860 178.454 177.584 0.018 0.000 1.189 572 A CA 1.476 53.528 52.037 0.025 0.000 0.658 572 A CB -0.532 18.481 19.000 0.022 0.000 0.820 572 A HN 0.838 nan 8.150 nan 0.000 0.464 573 D N -2.320 118.090 120.400 0.018 0.000 2.339 573 D HA 0.366 5.006 4.640 -0.000 0.000 0.245 573 D C 1.193 177.498 176.300 0.008 0.000 1.115 573 D CA 0.179 54.185 54.000 0.009 0.000 0.917 573 D CB 1.152 41.954 40.800 0.003 0.000 1.192 573 D HN -0.102 nan 8.370 nan 0.000 0.428 574 V N 2.394 122.309 119.914 0.002 0.000 2.270 574 V HA -0.146 3.974 4.120 -0.000 0.000 0.245 574 V C 2.019 178.109 176.094 -0.007 0.000 1.043 574 V CA 1.413 63.711 62.300 -0.003 0.000 1.014 574 V CB -0.506 31.314 31.823 -0.004 0.000 0.645 574 V HN 0.580 nan 8.190 nan 0.000 0.447 575 E N 0.187 120.384 120.200 -0.004 0.000 2.047 575 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 575 E C 2.256 178.857 176.600 0.002 0.000 0.987 575 E CA 1.059 57.456 56.400 -0.006 0.000 0.799 575 E CB -0.482 29.220 29.700 0.003 0.000 0.752 575 E HN 0.447 nan 8.360 nan 0.000 0.449 576 L N 1.013 122.247 121.223 0.018 0.000 2.012 576 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 576 L C 2.688 179.587 176.870 0.050 0.000 1.073 576 L CA 1.463 56.334 54.840 0.051 0.000 0.748 576 L CB -0.756 41.337 42.059 0.057 0.000 0.891 576 L HN 0.217 nan 8.230 nan 0.000 0.431 577 Q N 0.529 120.347 119.800 0.031 0.000 2.170 577 Q HA -0.270 4.070 4.340 -0.000 0.000 0.203 577 Q C 2.051 178.045 176.000 -0.009 0.000 0.976 577 Q CA 1.894 57.709 55.803 0.021 0.000 0.858 577 Q CB 0.012 28.760 28.738 0.017 0.000 0.907 577 Q HN 0.469 nan 8.270 nan 0.000 0.433 578 Q N 0.207 119.988 119.800 -0.031 0.000 2.096 578 Q HA -0.025 4.314 4.340 -0.000 0.000 0.197 578 Q C 1.994 177.904 176.000 -0.151 0.000 0.964 578 Q CA 1.440 57.199 55.803 -0.074 0.000 0.838 578 Q CB 0.063 28.760 28.738 -0.069 0.000 0.906 578 Q HN 0.312 nan 8.270 nan 0.000 0.444 579 R N -0.558 119.854 120.500 -0.146 0.000 2.075 579 R HA 0.107 4.447 4.340 -0.000 0.000 0.226 579 R C 2.213 178.416 176.300 -0.161 0.000 1.114 579 R CA 0.955 56.878 56.100 -0.296 0.000 0.972 579 R CB -0.346 29.907 30.300 -0.079 0.000 0.869 579 R HN 0.296 nan 8.270 nan 0.000 0.437 580 A N 0.902 123.731 122.820 0.014 0.000 1.969 580 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 580 A C 2.318 179.932 177.584 0.050 0.000 1.169 580 A CA 1.053 53.143 52.037 0.090 0.000 0.635 580 A CB -0.348 18.718 19.000 0.110 0.000 0.810 580 A HN 0.064 nan 8.150 nan 0.000 0.445 581 V N -0.068 119.845 119.914 -0.002 0.000 2.221 581 V HA -0.259 3.861 4.120 -0.000 0.000 0.242 581 V C 2.353 178.427 176.094 -0.033 0.000 1.041 581 V CA 2.245 64.538 62.300 -0.010 0.000 0.995 581 V CB -1.040 30.772 31.823 -0.019 0.000 0.635 581 V HN 0.645 nan 8.190 nan 0.000 0.448 582 E N -0.690 119.436 120.200 -0.124 0.000 2.108 582 E HA -0.284 4.065 4.350 -0.000 0.000 0.203 582 E C 2.151 178.745 176.600 -0.011 0.000 1.022 582 E CA 2.332 58.643 56.400 -0.149 0.000 0.823 582 E CB -0.279 29.199 29.700 -0.370 0.000 0.744 582 E HN 0.675 nan 8.360 nan 0.000 0.456 583 Y N 0.065 120.385 120.300 0.034 0.000 2.243 583 Y HA -0.054 4.496 4.550 -0.000 0.000 0.293 583 Y C 2.162 178.079 175.900 0.028 0.000 1.124 583 Y CA 0.200 58.321 58.100 0.035 0.000 1.159 583 Y CB -0.737 37.754 38.460 0.051 0.000 1.008 583 Y HN 0.102 nan 8.280 nan 0.000 0.527 584 L N 0.381 121.709 121.223 0.176 0.000 2.051 584 L HA -0.274 4.066 4.340 -0.000 0.000 0.214 584 L C 2.146 179.060 176.870 0.073 0.000 1.076 584 L CA 2.016 56.914 54.840 0.097 0.000 0.758 584 L CB -0.300 41.799 42.059 0.068 0.000 0.890 584 L HN 0.221 nan 8.230 nan 0.000 0.433 585 R N -0.376 120.166 120.500 0.071 0.000 2.115 585 R HA -0.058 4.282 4.340 -0.000 0.000 0.226 585 R C 2.255 178.591 176.300 0.061 0.000 1.100 585 R CA 0.761 56.891 56.100 0.051 0.000 0.980 585 R CB -0.326 29.993 30.300 0.033 0.000 0.875 585 R HN 0.429 nan 8.270 nan 0.000 0.445 586 L N 0.755 122.037 121.223 0.098 0.000 2.217 586 L HA -0.104 4.236 4.340 -0.000 0.000 0.211 586 L C 2.369 179.272 176.870 0.055 0.000 1.107 586 L CA 1.286 56.179 54.840 0.089 0.000 0.783 586 L CB -0.190 41.955 42.059 0.144 0.000 0.919 586 L HN 0.196 nan 8.230 nan 0.000 0.442 587 S N -2.931 112.801 115.700 0.053 0.000 2.501 587 S HA -0.056 4.414 4.470 -0.000 0.000 0.220 587 S C 1.724 176.333 174.600 0.014 0.000 0.997 587 S CA 0.902 59.116 58.200 0.024 0.000 0.919 587 S CB 0.050 63.262 63.200 0.020 0.000 0.778 587 S HN 0.251 nan 8.310 nan 0.000 0.523 588 T N 0.983 115.549 114.554 0.021 0.000 3.039 588 T HA 0.395 4.745 4.350 -0.000 0.000 0.250 588 T C 0.335 175.042 174.700 0.012 0.000 1.052 588 T CA 0.304 62.412 62.100 0.013 0.000 1.125 588 T CB 0.290 69.166 68.868 0.015 0.000 0.908 588 T HN 0.198 nan 8.240 nan 0.000 0.473 589 V N -0.199 119.725 119.914 0.017 0.000 3.046 589 V HA 0.777 4.897 4.120 -0.000 0.000 0.316 589 V C 0.517 176.619 176.094 0.014 0.000 1.104 589 V CA 0.006 62.315 62.300 0.014 0.000 1.006 589 V CB 1.477 33.309 31.823 0.016 0.000 1.058 589 V HN 0.486 nan 8.190 nan 0.000 0.440 590 A N 2.666 125.492 122.820 0.011 0.000 4.823 590 A HA -0.152 4.168 4.320 -0.000 0.000 0.274 590 A C 0.614 178.201 177.584 0.005 0.000 2.220 590 A CA 1.009 53.051 52.037 0.009 0.000 0.716 590 A CB -2.116 16.891 19.000 0.012 0.000 1.109 590 A HN 1.470 nan 8.150 nan 0.000 0.327 591 S N -3.224 112.478 115.700 0.003 0.000 3.359 591 S HA 0.711 5.181 4.470 -0.000 0.000 0.323 591 S C 0.643 175.242 174.600 -0.003 0.000 1.143 591 S CA 0.345 58.545 58.200 -0.000 0.000 0.989 591 S CB 1.269 64.469 63.200 -0.002 0.000 1.375 591 S HN 1.200 nan 8.310 nan 0.000 0.728 592 T N 1.303 115.854 114.554 -0.006 0.000 2.978 592 T HA 0.140 4.489 4.350 -0.000 0.000 0.248 592 T C 0.371 175.063 174.700 -0.013 0.000 1.018 592 T CA 0.229 62.323 62.100 -0.011 0.000 1.026 592 T CB -0.259 68.601 68.868 -0.013 0.000 1.032 592 T HN 0.363 nan 8.240 nan 0.000 0.485 593 D N 1.357 121.751 120.400 -0.010 0.000 2.310 593 D HA 0.058 4.698 4.640 -0.000 0.000 0.212 593 D C 1.482 177.776 176.300 -0.009 0.000 0.965 593 D CA 0.508 54.501 54.000 -0.011 0.000 0.879 593 D CB 0.027 40.822 40.800 -0.008 0.000 0.921 593 D HN 0.272 nan 8.370 nan 0.000 0.510 594 I N 0.117 120.684 120.570 -0.006 0.000 2.731 594 I HA -0.027 4.143 4.170 -0.000 0.000 0.260 594 I C 2.263 178.379 176.117 -0.002 0.000 1.138 594 I CA 0.264 61.563 61.300 -0.002 0.000 1.461 594 I CB -0.212 37.789 38.000 0.003 0.000 1.128 594 I HN -0.060 nan 8.210 nan 0.000 0.438 595 L N 0.297 121.517 121.223 -0.005 0.000 1.990 595 L HA -0.292 4.048 4.340 -0.000 0.000 0.213 595 L C 2.576 179.430 176.870 -0.025 0.000 1.072 595 L CA 1.940 56.773 54.840 -0.012 0.000 0.755 595 L CB -0.495 41.554 42.059 -0.017 0.000 0.889 595 L HN 0.273 nan 8.230 nan 0.000 0.432 596 A N -1.403 121.400 122.820 -0.028 0.000 2.019 596 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 596 A C 2.060 179.626 177.584 -0.030 0.000 1.164 596 A CA 1.988 54.003 52.037 -0.036 0.000 0.644 596 A CB -0.767 18.213 19.000 -0.034 0.000 0.805 596 A HN 0.482 nan 8.150 nan 0.000 0.449 597 T N -0.938 113.605 114.554 -0.019 0.000 3.160 597 T HA 0.132 4.481 4.350 -0.000 0.000 0.257 597 T C 1.245 175.938 174.700 -0.012 0.000 1.147 597 T CA 1.107 63.199 62.100 -0.014 0.000 1.064 597 T CB 0.114 68.978 68.868 -0.007 0.000 0.949 597 T HN 0.192 nan 8.240 nan 0.000 0.526 598 V N -0.208 119.696 119.914 -0.016 0.000 3.219 598 V HA 0.324 4.444 4.120 -0.000 0.000 0.240 598 V C 0.849 176.924 176.094 -0.032 0.000 1.222 598 V CA 0.361 62.655 62.300 -0.010 0.000 1.181 598 V CB 0.311 32.139 31.823 0.008 0.000 0.941 598 V HN 0.327 nan 8.190 nan 0.000 0.471 599 L N 0.985 122.173 121.223 -0.058 0.000 3.030 599 L HA 0.399 4.739 4.340 -0.000 0.000 0.252 599 L C 0.560 177.371 176.870 -0.098 0.000 1.316 599 L CA 0.174 54.959 54.840 -0.092 0.000 0.975 599 L CB 0.538 42.523 42.059 -0.124 0.000 1.357 599 L HN 0.234 nan 8.230 nan 0.000 0.534 600 E N 0.393 120.549 120.200 -0.074 0.000 3.196 600 E HA 0.040 4.389 4.350 -0.000 0.000 0.268 600 E C 0.684 177.230 176.600 -0.088 0.000 1.430 600 E CA -0.216 56.142 56.400 -0.069 0.000 1.176 600 E CB 0.648 30.324 29.700 -0.040 0.000 1.228 600 E HN 0.333 nan 8.360 nan 0.000 0.730 601 E N -0.029 120.132 120.200 -0.064 0.000 2.265 601 E HA -0.135 4.215 4.350 -0.000 0.000 0.196 601 E C -0.359 176.216 176.600 -0.042 0.000 0.996 601 E CA 0.518 56.880 56.400 -0.063 0.000 0.832 601 E CB 0.063 29.769 29.700 0.010 0.000 0.756 601 E HN 0.287 nan 8.360 nan 0.000 0.491 602 M N -0.285 119.308 119.600 -0.012 0.000 4.002 602 M HA -0.075 4.405 4.480 -0.000 0.000 0.158 602 M C -2.585 173.753 176.300 0.063 0.000 1.523 602 M CA -0.375 54.943 55.300 0.030 0.000 1.083 602 M CB -1.602 31.038 32.600 0.068 0.000 1.343 602 M HN -0.111 nan 8.290 nan 0.000 0.246 603 P HA 0.249 nan 4.420 nan 0.000 0.263 603 P C -1.961 175.363 177.300 0.042 0.000 1.168 603 P CA -0.121 62.997 63.100 0.030 0.000 0.759 603 P CB 0.023 31.723 31.700 -0.001 0.000 0.782 604 P HA 0.390 nan 4.420 nan 0.000 0.289 604 P C -0.586 176.778 177.300 0.106 0.000 1.300 604 P CA -0.679 62.505 63.100 0.139 0.000 0.828 604 P CB 0.782 32.576 31.700 0.156 0.000 1.235 605 F N 0.441 120.402 119.950 0.019 0.000 2.435 605 F HA 0.321 4.848 4.527 -0.000 0.000 0.316 605 F C -0.973 174.829 175.800 0.004 0.000 1.220 605 F CA -0.570 57.432 58.000 0.002 0.000 1.241 605 F CB -0.655 38.341 39.000 -0.007 0.000 1.234 605 F HN 0.296 nan 8.300 nan 0.000 0.569 606 P HA 0.347 nan 4.420 nan 0.000 0.310 606 P C -1.751 175.634 177.300 0.142 0.000 1.309 606 P CA -0.597 62.576 63.100 0.122 0.000 0.769 606 P CB 1.009 32.746 31.700 0.062 0.000 1.327 607 E N -0.198 120.052 120.200 0.083 0.000 2.224 607 E HA 0.297 4.647 4.350 -0.000 0.000 0.265 607 E C -0.152 176.473 176.600 0.041 0.000 0.878 607 E CA -0.783 55.651 56.400 0.058 0.000 0.759 607 E CB 1.435 31.159 29.700 0.041 0.000 1.164 607 E HN 0.234 nan 8.360 nan 0.000 0.414 608 R N 0.000 120.520 120.500 0.033 0.000 2.786 608 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 608 R CA 0.000 56.115 56.100 0.025 0.000 0.921 608 R CB 0.000 30.314 30.300 0.023 0.000 0.687 608 R HN 0.000 nan 8.270 nan 0.000 0.535