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 3lgq_1_A DATA FIRST_RESID 5 DATA SEQUENCE NLKPVDAMQC FDCHTQIEDM HTVGKHATVN CVHCHDATEH VETASSRRMG DATA SEQUENCE ERPVTRMDLE ACATCHTAQF NSFVEVRHES HPRLEKATPT SRSPMFDKLI DATA SEQUENCE AGHGFAFEHA EPRSHAFMLV DHFVVDRAYG GRFQFKNWQK VTDGMGAVRG DATA SEQUENCE AWTVLTDADP ESSDQRRFLS QTATAANPVC LNCKTQDHIL DWAYMGDEHE DATA SEQUENCE AAKWSRTSEV VEFARDLNHP LNCFMCHDPH SAGPRVVRDG LINAVVDRGL DATA SEQUENCE GTYPHDPVKS EQQGMTKVTF QRGREDFRAI GLLDTADSNV MCAQCHVEYN DATA SEQUENCE CNPGYQLSDG SRVGMDDRRA NHFFWANVFD YKEAAQEIDF FDFRHATTGA DATA SEQUENCE ALPKLQHPEA ETFWGSVHER NGVACADCHM PKVQLENGKV YTSHSQRTPR DATA SEQUENCE DMMGQACLNC HAEWTEDQAL YAIDYIKNYT HGKIVKSEYW LAKMIDLFPV DATA SEQUENCE AKRAGVSEDV LNQARELHYD AHLYWEWWTA ENSVGFHNPD QARESLMTSI DATA SEQUENCE SKSKEAVSLL NDAIDAQVA 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.469 175.510 -0.068 0.000 1.280 5 N CA 0.000 53.020 53.050 -0.051 0.000 0.885 5 N CB 0.000 38.463 38.487 -0.039 0.000 1.341 6 L N 1.368 122.531 121.223 -0.099 0.000 2.426 6 L HA 0.304 4.644 4.340 -0.000 0.000 0.271 6 L C 0.418 177.225 176.870 -0.103 0.000 1.169 6 L CA -0.108 54.651 54.840 -0.135 0.000 0.836 6 L CB 0.358 42.262 42.059 -0.258 0.000 1.112 6 L HN 0.187 nan 8.230 nan 0.000 0.465 7 K N 3.691 124.038 120.400 -0.088 0.000 2.274 7 K HA 0.480 4.800 4.320 -0.000 0.000 0.262 7 K C -2.385 174.177 176.600 -0.063 0.000 0.961 7 K CA -1.873 54.377 56.287 -0.062 0.000 0.833 7 K CB 1.597 34.070 32.500 -0.045 0.000 1.102 7 K HN 0.281 nan 8.250 nan 0.000 0.436 8 P HA 0.095 nan 4.420 nan 0.000 0.272 8 P C -0.010 177.268 177.300 -0.037 0.000 1.223 8 P CA -0.466 62.612 63.100 -0.036 0.000 0.784 8 P CB 0.686 32.380 31.700 -0.011 0.000 0.923 9 V N -1.996 117.894 119.914 -0.041 0.000 3.093 9 V HA 0.471 4.591 4.120 -0.000 0.000 0.320 9 V C 0.010 176.061 176.094 -0.072 0.000 1.093 9 V CA -0.942 61.327 62.300 -0.052 0.000 1.016 9 V CB 1.436 33.227 31.823 -0.053 0.000 1.096 9 V HN 0.382 nan 8.190 nan 0.000 0.452 10 D N 1.496 121.846 120.400 -0.084 0.000 2.402 10 D HA 0.471 5.111 4.640 -0.000 0.000 0.235 10 D C 1.005 177.189 176.300 -0.193 0.000 1.226 10 D CA 0.465 54.403 54.000 -0.104 0.000 0.918 10 D CB 1.048 41.801 40.800 -0.079 0.000 1.043 10 D HN 0.858 nan 8.370 nan 0.000 0.506 11 A N 4.998 127.658 122.820 -0.265 0.000 1.972 11 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 11 A C 2.064 179.137 177.584 -0.852 0.000 1.169 11 A CA 0.831 52.515 52.037 -0.587 0.000 0.635 11 A CB -0.333 18.306 19.000 -0.602 0.000 0.810 11 A HN 0.586 nan 8.150 nan 0.000 0.446 12 M N -0.535 118.828 119.600 -0.395 0.000 2.149 12 M HA -0.209 4.271 4.480 -0.000 0.000 0.261 12 M C 2.253 178.480 176.300 -0.122 0.000 1.064 12 M CA 1.940 57.149 55.300 -0.153 0.000 1.102 12 M CB -1.406 31.201 32.600 0.011 0.000 1.369 12 M HN 0.737 nan 8.290 nan 0.000 0.408 13 Q N -0.183 119.529 119.800 -0.146 0.000 2.050 13 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 13 Q C 2.259 178.200 176.000 -0.099 0.000 0.980 13 Q CA 2.239 57.984 55.803 -0.097 0.000 0.840 13 Q CB -0.023 28.661 28.738 -0.090 0.000 0.898 13 Q HN 0.578 nan 8.270 nan 0.000 0.424 14 C N 0.361 119.554 119.300 -0.177 0.000 2.401 14 C HA -0.160 4.300 4.460 -0.000 0.000 0.276 14 C C 2.295 177.345 174.990 0.100 0.000 1.233 14 C CA 0.401 59.380 59.018 -0.065 0.000 1.753 14 C CB -1.503 26.120 27.740 -0.196 0.000 2.029 14 C HN 0.525 nan 8.230 nan 0.000 0.478 15 F N 1.296 121.267 119.950 0.035 0.000 2.451 15 F HA -0.043 4.484 4.527 0.000 0.000 0.299 15 F C 2.013 177.814 175.800 0.002 0.000 1.101 15 F CA 0.662 58.682 58.000 0.033 0.000 1.436 15 F CB -1.184 37.831 39.000 0.025 0.000 1.074 15 F HN 0.296 nan 8.300 nan 0.000 0.553 16 D N -0.808 119.674 120.400 0.138 0.000 2.218 16 D HA -0.141 4.499 4.640 -0.000 0.000 0.204 16 D C 2.112 178.407 176.300 -0.009 0.000 0.976 16 D CA 1.178 55.206 54.000 0.046 0.000 0.853 16 D CB -0.118 40.684 40.800 0.003 0.000 0.939 16 D HN 0.289 nan 8.370 nan 0.000 0.481 17 C N -0.982 118.281 119.300 -0.062 0.000 2.563 17 C HA 0.110 4.570 4.460 -0.000 0.000 0.346 17 C C 0.979 175.848 174.990 -0.202 0.000 1.334 17 C CA -0.373 58.526 59.018 -0.200 0.000 1.938 17 C CB -0.298 27.216 27.740 -0.376 0.000 2.445 17 C HN 0.288 nan 8.230 nan 0.000 0.541 18 H N 2.271 121.405 119.070 0.106 0.000 2.820 18 H HA 0.144 4.700 4.556 -0.000 0.000 0.248 18 H C 1.444 176.837 175.328 0.109 0.000 1.714 18 H CA 0.586 56.705 56.048 0.118 0.000 1.334 18 H CB 0.215 30.049 29.762 0.120 0.000 1.693 18 H HN 0.548 nan 8.280 nan 0.000 0.548 19 T N -1.490 113.137 114.554 0.122 0.000 2.904 19 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 19 T C 1.664 176.368 174.700 0.006 0.000 1.059 19 T CA 0.735 62.857 62.100 0.036 0.000 1.137 19 T CB 0.314 69.188 68.868 0.010 0.000 0.879 19 T HN 0.373 nan 8.240 nan 0.000 0.467 20 Q N 0.255 120.086 119.800 0.052 0.000 2.079 20 Q HA 0.004 4.344 4.340 -0.000 0.000 0.200 20 Q C 2.397 178.432 176.000 0.060 0.000 0.974 20 Q CA 1.177 57.002 55.803 0.036 0.000 0.840 20 Q CB -0.212 28.537 28.738 0.019 0.000 0.898 20 Q HN 0.468 nan 8.270 nan 0.000 0.430 21 I N 1.126 121.750 120.570 0.090 0.000 2.226 21 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 21 I C 2.307 178.382 176.117 -0.069 0.000 1.100 21 I CA 1.439 62.741 61.300 0.003 0.000 1.374 21 I CB -1.264 36.682 38.000 -0.090 0.000 1.057 21 I HN 0.361 nan 8.210 nan 0.000 0.413 22 E N 1.191 121.226 120.200 -0.274 0.000 2.070 22 E HA -0.280 4.070 4.350 -0.000 0.000 0.197 22 E C 1.685 178.033 176.600 -0.420 0.000 1.004 22 E CA 1.948 57.809 56.400 -0.897 0.000 0.805 22 E CB 0.075 29.275 29.700 -0.832 0.000 0.744 22 E HN 0.401 nan 8.360 nan 0.000 0.451 23 D N -0.264 120.018 120.400 -0.196 0.000 2.144 23 D HA -0.166 4.474 4.640 -0.000 0.000 0.199 23 D C 1.999 178.279 176.300 -0.034 0.000 0.984 23 D CA 1.194 55.135 54.000 -0.097 0.000 0.834 23 D CB -0.128 40.638 40.800 -0.056 0.000 0.955 23 D HN 0.353 nan 8.370 nan 0.000 0.465 24 M N -0.781 118.829 119.600 0.017 0.000 2.134 24 M HA -0.087 4.393 4.480 -0.000 0.000 0.262 24 M C 2.291 178.667 176.300 0.127 0.000 1.076 24 M CA 0.937 56.293 55.300 0.093 0.000 1.143 24 M CB -0.359 32.344 32.600 0.172 0.000 1.346 24 M HN 0.112 nan 8.290 nan 0.000 0.421 25 H N 0.535 119.646 119.070 0.068 0.000 2.326 25 H HA -0.112 4.444 4.556 -0.000 0.000 0.301 25 H C 1.968 177.352 175.328 0.093 0.000 1.081 25 H CA 2.271 58.409 56.048 0.150 0.000 1.334 25 H CB 0.027 29.947 29.762 0.263 0.000 1.385 25 H HN 0.419 nan 8.280 nan 0.000 0.504 26 T N -1.718 112.889 114.554 0.089 0.000 2.962 26 T HA -0.016 4.334 4.350 -0.000 0.000 0.270 26 T C 2.069 176.777 174.700 0.012 0.000 1.088 26 T CA 1.060 63.194 62.100 0.057 0.000 1.127 26 T CB -0.527 68.329 68.868 -0.020 0.000 0.883 26 T HN 0.101 nan 8.240 nan 0.000 0.493 27 V N 0.648 120.561 119.914 -0.002 0.000 2.795 27 V HA 0.349 4.469 4.120 -0.000 0.000 0.243 27 V C 2.037 178.126 176.094 -0.008 0.000 1.069 27 V CA 0.726 63.024 62.300 -0.003 0.000 1.089 27 V CB -0.489 31.333 31.823 -0.002 0.000 0.756 27 V HN 0.684 nan 8.190 nan 0.000 0.471 28 G N -0.644 108.145 108.800 -0.018 0.000 2.508 28 G HA2 0.187 4.147 3.960 -0.000 0.000 0.278 28 G HA3 0.187 4.147 3.960 -0.000 0.000 0.278 28 G C 0.493 175.367 174.900 -0.044 0.000 1.389 28 G CA -0.370 44.711 45.100 -0.031 0.000 1.050 28 G HN 0.236 nan 8.290 nan 0.000 0.522 29 K N -0.971 119.391 120.400 -0.063 0.000 2.487 29 K HA 0.055 4.375 4.320 -0.000 0.000 0.192 29 K C 0.845 177.475 176.600 0.050 0.000 1.027 29 K CA 0.266 56.534 56.287 -0.031 0.000 1.054 29 K CB 0.085 32.555 32.500 -0.051 0.000 0.824 29 K HN 0.546 nan 8.250 nan 0.000 0.510 30 H N -0.813 118.197 119.070 -0.099 0.000 2.487 30 H HA 0.206 4.762 4.556 0.000 0.000 0.290 30 H C 1.488 176.594 175.328 -0.369 0.000 1.081 30 H CA -0.382 55.577 56.048 -0.148 0.000 1.116 30 H CB 0.697 30.408 29.762 -0.085 0.000 1.560 30 H HN 0.176 nan 8.280 nan 0.000 0.548 31 A N 0.687 123.389 122.820 -0.197 0.000 2.024 31 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 31 A C 2.354 179.934 177.584 -0.007 0.000 1.164 31 A CA 1.936 53.834 52.037 -0.231 0.000 0.643 31 A CB -0.562 18.413 19.000 -0.042 0.000 0.806 31 A HN 0.476 nan 8.150 nan 0.000 0.451 32 T N -3.424 111.144 114.554 0.023 0.000 3.086 32 T HA 0.330 4.680 4.350 -0.000 0.000 0.250 32 T C 0.188 174.938 174.700 0.084 0.000 1.074 32 T CA 0.167 62.313 62.100 0.077 0.000 0.988 32 T CB -0.268 68.626 68.868 0.044 0.000 0.988 32 T HN -0.020 nan 8.240 nan 0.000 0.530 33 V N 3.560 123.517 119.914 0.072 0.000 2.389 33 V HA 0.263 4.383 4.120 -0.000 0.000 0.264 33 V C 0.602 176.848 176.094 0.254 0.000 1.049 33 V CA -1.220 61.103 62.300 0.037 0.000 0.932 33 V CB 0.441 32.126 31.823 -0.230 0.000 1.011 33 V HN 0.528 nan 8.190 nan 0.000 0.475 34 N N 3.036 121.881 118.700 0.241 0.000 2.508 34 N HA 0.020 4.760 4.740 -0.000 0.000 0.264 34 N C 1.182 176.804 175.510 0.187 0.000 1.216 34 N CA -0.338 52.832 53.050 0.200 0.000 0.943 34 N CB 1.413 39.980 38.487 0.135 0.000 1.113 34 N HN 0.774 nan 8.380 nan 0.000 0.447 35 C N 1.618 120.971 119.300 0.088 0.000 2.410 35 C HA -0.094 4.366 4.460 -0.000 0.000 0.281 35 C C 2.653 177.707 174.990 0.106 0.000 1.318 35 C CA -0.046 59.044 59.018 0.120 0.000 1.776 35 C CB -1.295 26.470 27.740 0.041 0.000 1.942 35 C HN 0.681 nan 8.230 nan 0.000 0.508 36 V N 0.739 120.670 119.914 0.027 0.000 2.720 36 V HA -0.212 3.908 4.120 -0.000 0.000 0.256 36 V C 2.503 178.521 176.094 -0.126 0.000 1.082 36 V CA 1.822 64.091 62.300 -0.051 0.000 1.101 36 V CB -0.868 30.892 31.823 -0.105 0.000 0.693 36 V HN 0.627 nan 8.190 nan 0.000 0.479 37 H N -1.224 117.818 119.070 -0.046 0.000 2.457 37 H HA -0.102 4.454 4.556 0.000 0.000 0.297 37 H C 1.902 177.157 175.328 -0.122 0.000 1.092 37 H CA 1.962 57.959 56.048 -0.084 0.000 1.309 37 H CB 0.079 29.780 29.762 -0.100 0.000 1.382 37 H HN 0.551 nan 8.280 nan 0.000 0.535 38 C N -0.821 118.436 119.300 -0.072 0.000 3.882 38 C HA 0.228 4.688 4.460 -0.000 0.000 0.340 38 C C 0.260 174.997 174.990 -0.422 0.000 1.563 38 C CA -0.411 58.445 59.018 -0.269 0.000 1.870 38 C CB 0.340 27.838 27.740 -0.403 0.000 2.795 38 C HN 0.410 nan 8.230 nan 0.000 0.692 39 H N 0.823 119.880 119.070 -0.022 0.000 2.717 39 H HA 0.379 4.935 4.556 -0.000 0.000 0.366 39 H C -1.710 173.598 175.328 -0.033 0.000 1.132 39 H CA -0.137 55.890 56.048 -0.034 0.000 1.180 39 H CB 1.825 31.563 29.762 -0.040 0.000 1.678 39 H HN 0.052 nan 8.280 nan 0.000 0.537 40 D N 1.915 122.371 120.400 0.093 0.000 2.460 40 D HA 0.395 5.035 4.640 -0.000 0.000 0.232 40 D C -0.144 176.190 176.300 0.055 0.000 1.079 40 D CA -0.471 53.559 54.000 0.049 0.000 0.864 40 D CB 0.666 41.481 40.800 0.025 0.000 1.048 40 D HN 0.622 nan 8.370 nan 0.000 0.523 41 A N 2.987 125.843 122.820 0.060 0.000 2.589 41 A HA 0.187 4.507 4.320 -0.000 0.000 0.283 41 A C 1.634 179.273 177.584 0.092 0.000 1.187 41 A CA -0.220 51.875 52.037 0.096 0.000 0.957 41 A CB 0.120 19.187 19.000 0.112 0.000 1.175 41 A HN 0.493 nan 8.150 nan 0.000 0.532 42 T N 0.435 115.017 114.554 0.048 0.000 2.652 42 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 42 T C 1.691 176.407 174.700 0.026 0.000 1.039 42 T CA 2.010 64.124 62.100 0.023 0.000 1.153 42 T CB -0.146 68.727 68.868 0.008 0.000 0.863 42 T HN 0.651 nan 8.240 nan 0.000 0.428 43 E N -0.211 120.013 120.200 0.040 0.000 2.106 43 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 43 E C 2.115 178.752 176.600 0.061 0.000 0.984 43 E CA 1.003 57.425 56.400 0.037 0.000 0.806 43 E CB -0.213 29.508 29.700 0.036 0.000 0.750 43 E HN 0.566 nan 8.360 nan 0.000 0.458 44 H N 1.081 120.145 119.070 -0.010 0.000 2.289 44 H HA -0.141 4.415 4.556 -0.000 0.000 0.296 44 H C 1.986 177.307 175.328 -0.012 0.000 1.091 44 H CA 1.941 57.984 56.048 -0.009 0.000 1.274 44 H CB -0.420 29.337 29.762 -0.008 0.000 1.364 44 H HN -0.068 nan 8.280 nan 0.000 0.490 45 V N 0.367 120.195 119.914 -0.143 0.000 2.392 45 V HA -0.252 3.868 4.120 -0.000 0.000 0.249 45 V C 2.559 178.567 176.094 -0.145 0.000 1.059 45 V CA 2.192 64.370 62.300 -0.204 0.000 1.051 45 V CB -0.749 31.014 31.823 -0.100 0.000 0.658 45 V HN 0.598 nan 8.190 nan 0.000 0.455 46 E N 0.201 120.352 120.200 -0.082 0.000 2.204 46 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 46 E C 2.130 178.692 176.600 -0.063 0.000 0.990 46 E CA 1.759 58.123 56.400 -0.059 0.000 0.821 46 E CB -0.217 29.464 29.700 -0.031 0.000 0.750 46 E HN 0.982 nan 8.360 nan 0.000 0.477 47 T N -3.610 110.899 114.554 -0.074 0.000 2.958 47 T HA 0.579 4.929 4.350 -0.000 0.000 0.256 47 T C 0.850 175.508 174.700 -0.071 0.000 0.983 47 T CA 0.275 62.344 62.100 -0.051 0.000 0.924 47 T CB 0.429 69.289 68.868 -0.014 0.000 1.136 47 T HN 0.375 nan 8.240 nan 0.000 0.506 48 A N 2.103 124.836 122.820 -0.145 0.000 2.332 48 A HA 0.722 5.042 4.320 -0.000 0.000 0.258 48 A C 0.628 178.138 177.584 -0.123 0.000 1.087 48 A CA -0.166 51.777 52.037 -0.157 0.000 0.802 48 A CB 0.411 19.187 19.000 -0.373 0.000 1.042 48 A HN 0.760 nan 8.150 nan 0.000 0.489 49 S N -0.714 114.933 115.700 -0.089 0.000 2.751 49 S HA 0.488 4.958 4.470 -0.000 0.000 0.310 49 S C 0.905 175.453 174.600 -0.087 0.000 1.128 49 S CA 0.166 58.317 58.200 -0.081 0.000 0.931 49 S CB 1.072 64.239 63.200 -0.054 0.000 1.177 49 S HN 1.533 nan 8.310 nan 0.000 0.530 50 S N 0.107 115.757 115.700 -0.083 0.000 2.500 50 S HA 0.013 4.483 4.470 -0.000 0.000 0.239 50 S C 1.182 175.748 174.600 -0.057 0.000 0.989 50 S CA 0.408 58.555 58.200 -0.088 0.000 0.951 50 S CB -0.541 62.615 63.200 -0.073 0.000 0.759 50 S HN 0.742 nan 8.310 nan 0.000 0.523 51 R N 0.161 120.636 120.500 -0.041 0.000 2.476 51 R HA 0.344 4.684 4.340 -0.000 0.000 0.276 51 R C 0.431 176.721 176.300 -0.016 0.000 0.941 51 R CA 0.350 56.436 56.100 -0.024 0.000 1.088 51 R CB 0.888 31.175 30.300 -0.023 0.000 1.216 51 R HN 0.361 nan 8.270 nan 0.000 0.533 52 R N 0.898 121.388 120.500 -0.016 0.000 2.522 52 R HA 0.264 4.604 4.340 -0.000 0.000 0.283 52 R C 0.058 176.371 176.300 0.021 0.000 1.074 52 R CA -0.558 55.540 56.100 -0.003 0.000 0.925 52 R CB 0.460 30.753 30.300 -0.011 0.000 1.205 52 R HN 0.077 nan 8.270 nan 0.000 0.436 53 M N 1.246 120.875 119.600 0.050 0.000 2.149 53 M HA 0.050 4.530 4.480 -0.000 0.000 0.261 53 M C 1.436 177.832 176.300 0.160 0.000 1.064 53 M CA 2.998 58.378 55.300 0.133 0.000 1.102 53 M CB -0.204 32.442 32.600 0.077 0.000 1.369 53 M HN 1.402 nan 8.290 nan 0.000 0.408 54 G N 0.510 109.353 108.800 0.072 0.000 2.566 54 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.280 54 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.280 54 G C -0.690 174.263 174.900 0.088 0.000 1.225 54 G CA 0.036 45.172 45.100 0.059 0.000 0.966 54 G HN 0.516 nan 8.290 nan 0.000 0.560 55 E N 1.312 121.569 120.200 0.095 0.000 2.414 55 E HA 0.199 4.549 4.350 -0.000 0.000 0.263 55 E C 1.099 177.759 176.600 0.100 0.000 1.000 55 E CA -0.161 56.287 56.400 0.080 0.000 0.914 55 E CB 0.671 30.412 29.700 0.069 0.000 0.948 55 E HN 0.560 nan 8.360 nan 0.000 0.444 56 R N 4.544 125.058 120.500 0.023 0.000 2.316 56 R HA 0.127 4.467 4.340 -0.000 0.000 0.314 56 R C -1.956 174.301 176.300 -0.073 0.000 1.069 56 R CA -1.198 54.873 56.100 -0.049 0.000 0.959 56 R CB 0.329 30.606 30.300 -0.038 0.000 0.987 56 R HN 0.254 nan 8.270 nan 0.000 0.446 57 P HA 0.025 nan 4.420 nan 0.000 0.274 57 P C -0.735 176.540 177.300 -0.043 0.000 1.237 57 P CA -0.332 62.692 63.100 -0.126 0.000 0.793 57 P CB 0.865 32.393 31.700 -0.287 0.000 0.977 58 V N 1.784 121.709 119.914 0.018 0.000 2.509 58 V HA 0.281 4.401 4.120 -0.000 0.000 0.284 58 V C 0.585 176.731 176.094 0.086 0.000 1.047 58 V CA 0.206 62.532 62.300 0.043 0.000 0.952 58 V CB 1.140 32.986 31.823 0.038 0.000 0.988 58 V HN 0.609 nan 8.190 nan 0.000 0.469 59 T N 5.591 120.190 114.554 0.074 0.000 2.812 59 T HA 0.447 4.797 4.350 -0.000 0.000 0.282 59 T C -0.108 174.576 174.700 -0.026 0.000 0.990 59 T CA -0.625 61.496 62.100 0.034 0.000 0.960 59 T CB 0.939 69.849 68.868 0.069 0.000 0.948 59 T HN 0.534 nan 8.240 nan 0.000 0.438 60 R N 2.747 123.187 120.500 -0.101 0.000 2.340 60 R HA 0.335 4.675 4.340 -0.000 0.000 0.300 60 R C 0.255 176.543 176.300 -0.020 0.000 1.069 60 R CA -0.283 55.789 56.100 -0.046 0.000 0.984 60 R CB 0.539 30.794 30.300 -0.075 0.000 1.003 60 R HN 0.476 nan 8.270 nan 0.000 0.459 61 M N 1.071 120.723 119.600 0.088 0.000 2.306 61 M HA 0.022 4.502 4.480 -0.000 0.000 0.292 61 M C -0.469 175.839 176.300 0.014 0.000 1.018 61 M CA 0.092 55.544 55.300 0.254 0.000 1.007 61 M CB 0.413 33.243 32.600 0.384 0.000 1.510 61 M HN 0.513 nan 8.290 nan 0.000 0.537 62 D N 0.308 120.552 120.400 -0.260 0.000 2.399 62 D HA 0.018 4.658 4.640 -0.000 0.000 0.241 62 D C 0.728 176.841 176.300 -0.312 0.000 1.133 62 D CA -0.117 53.461 54.000 -0.703 0.000 0.890 62 D CB 1.533 42.088 40.800 -0.409 0.000 1.201 62 D HN 0.038 nan 8.370 nan 0.000 0.432 63 L N 1.557 122.620 121.223 -0.266 0.000 2.275 63 L HA -0.119 4.221 4.340 -0.000 0.000 0.215 63 L C 2.263 179.047 176.870 -0.143 0.000 1.119 63 L CA 1.345 56.144 54.840 -0.069 0.000 0.790 63 L CB -0.827 41.327 42.059 0.157 0.000 0.919 63 L HN 0.439 nan 8.230 nan 0.000 0.443 64 E N -0.099 119.957 120.200 -0.239 0.000 2.265 64 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 64 E C 2.339 178.806 176.600 -0.222 0.000 0.996 64 E CA 0.976 57.168 56.400 -0.347 0.000 0.832 64 E CB -0.322 29.221 29.700 -0.261 0.000 0.756 64 E HN 0.470 nan 8.360 nan 0.000 0.491 65 A N -0.048 122.687 122.820 -0.142 0.000 2.024 65 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 65 A C 2.061 179.598 177.584 -0.079 0.000 1.164 65 A CA 1.431 53.417 52.037 -0.084 0.000 0.643 65 A CB -0.531 18.433 19.000 -0.060 0.000 0.806 65 A HN 0.429 nan 8.150 nan 0.000 0.451 66 C N -2.102 117.152 119.300 -0.076 0.000 2.700 66 C HA 0.454 4.914 4.460 -0.000 0.000 0.297 66 C C 3.029 177.979 174.990 -0.068 0.000 1.293 66 C CA -0.089 58.918 59.018 -0.019 0.000 1.756 66 C CB -0.733 27.047 27.740 0.068 0.000 2.210 66 C HN 0.698 nan 8.230 nan 0.000 0.553 67 A N 2.002 124.702 122.820 -0.201 0.000 2.067 67 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 67 A C 2.223 179.662 177.584 -0.242 0.000 1.158 67 A CA 2.285 54.139 52.037 -0.304 0.000 0.661 67 A CB -0.953 17.500 19.000 -0.913 0.000 0.801 67 A HN 0.680 nan 8.150 nan 0.000 0.452 68 T N -2.803 111.619 114.554 -0.220 0.000 2.720 68 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 68 T C 1.675 176.250 174.700 -0.208 0.000 1.037 68 T CA 1.746 63.738 62.100 -0.179 0.000 1.144 68 T CB -0.886 67.909 68.868 -0.122 0.000 0.864 68 T HN 0.420 nan 8.240 nan 0.000 0.444 69 C N 0.512 119.624 119.300 -0.314 0.000 2.912 69 C HA 0.290 4.750 4.460 -0.000 0.000 0.274 69 C C 0.798 175.449 174.990 -0.566 0.000 1.248 69 C CA -0.589 58.149 59.018 -0.467 0.000 1.694 69 C CB -0.879 26.462 27.740 -0.666 0.000 2.024 69 C HN 0.602 nan 8.230 nan 0.000 0.605 70 H N 0.040 119.043 119.070 -0.111 0.000 2.535 70 H HA 0.164 4.720 4.556 0.000 0.000 0.232 70 H C 0.978 176.253 175.328 -0.088 0.000 1.405 70 H CA -0.097 55.888 56.048 -0.105 0.000 1.224 70 H CB -0.080 29.619 29.762 -0.104 0.000 1.763 70 H HN 0.157 nan 8.280 nan 0.000 0.529 71 T N 0.317 114.858 114.554 -0.022 0.000 2.788 71 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 71 T C 2.296 177.003 174.700 0.011 0.000 1.044 71 T CA 1.420 63.523 62.100 0.005 0.000 1.139 71 T CB 0.175 69.021 68.868 -0.037 0.000 0.867 71 T HN 0.556 nan 8.240 nan 0.000 0.454 72 A N 1.335 124.071 122.820 -0.140 0.000 1.877 72 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 72 A C 2.309 179.758 177.584 -0.224 0.000 1.186 72 A CA 1.683 53.512 52.037 -0.347 0.000 0.620 72 A CB -0.667 17.804 19.000 -0.882 0.000 0.822 72 A HN 0.426 nan 8.150 nan 0.000 0.443 73 Q N -1.393 118.308 119.800 -0.166 0.000 2.050 73 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 73 Q C 1.817 177.793 176.000 -0.039 0.000 0.980 73 Q CA 1.709 57.408 55.803 -0.174 0.000 0.840 73 Q CB -0.553 27.897 28.738 -0.480 0.000 0.898 73 Q HN 0.728 nan 8.270 nan 0.000 0.424 74 F N 1.326 121.225 119.950 -0.084 0.000 2.095 74 F HA -0.237 4.290 4.527 0.000 0.000 0.298 74 F C 1.580 177.438 175.800 0.097 0.000 1.104 74 F CA 1.410 59.429 58.000 0.030 0.000 1.232 74 F CB -0.178 38.822 39.000 0.001 0.000 0.987 74 F HN 0.065 nan 8.300 nan 0.000 0.475 75 N N 0.268 119.047 118.700 0.131 0.000 2.166 75 N HA -0.173 4.567 4.740 -0.000 0.000 0.186 75 N C 2.177 177.655 175.510 -0.052 0.000 1.019 75 N CA 1.627 54.682 53.050 0.009 0.000 0.856 75 N CB -0.717 37.817 38.487 0.078 0.000 0.993 75 N HN 0.498 nan 8.380 nan 0.000 0.426 76 S N -0.032 115.693 115.700 0.041 0.000 2.383 76 S HA -0.114 4.356 4.470 -0.000 0.000 0.227 76 S C 1.982 176.611 174.600 0.049 0.000 1.026 76 S CA 0.503 58.758 58.200 0.091 0.000 0.981 76 S CB -0.804 62.547 63.200 0.253 0.000 0.818 76 S HN 0.366 nan 8.310 nan 0.000 0.472 77 F N 3.928 123.838 119.950 -0.067 0.000 2.134 77 F HA -0.045 4.482 4.527 -0.000 0.000 0.299 77 F C 2.141 177.797 175.800 -0.240 0.000 1.097 77 F CA 1.619 59.555 58.000 -0.107 0.000 1.264 77 F CB -0.549 38.376 39.000 -0.126 0.000 1.001 77 F HN 0.163 nan 8.300 nan 0.000 0.479 78 V N -1.201 118.256 119.914 -0.762 0.000 3.217 78 V HA -0.013 4.107 4.120 -0.000 0.000 0.264 78 V C 0.923 176.662 176.094 -0.591 0.000 1.135 78 V CA 0.621 62.383 62.300 -0.897 0.000 1.142 78 V CB -1.426 29.948 31.823 -0.748 0.000 0.754 78 V HN 0.384 nan 8.190 nan 0.000 0.484 79 E N 1.052 121.007 120.200 -0.409 0.000 2.452 79 E HA 0.142 4.492 4.350 -0.000 0.000 0.261 79 E C -0.684 175.715 176.600 -0.335 0.000 0.987 79 E CA -0.124 56.104 56.400 -0.286 0.000 0.926 79 E CB 1.025 30.616 29.700 -0.181 0.000 0.934 79 E HN 0.386 nan 8.360 nan 0.000 0.452 80 V N 5.886 125.606 119.914 -0.324 0.000 2.432 80 V HA 0.160 4.280 4.120 -0.000 0.000 0.275 80 V C 0.558 176.393 176.094 -0.432 0.000 1.043 80 V CA -0.237 61.858 62.300 -0.343 0.000 0.925 80 V CB 1.139 32.787 31.823 -0.291 0.000 0.985 80 V HN 0.630 nan 8.190 nan 0.000 0.466 81 R N 3.095 123.422 120.500 -0.288 0.000 2.308 81 R HA 0.209 4.549 4.340 -0.000 0.000 0.325 81 R C 0.720 176.893 176.300 -0.212 0.000 1.161 81 R CA -0.143 55.815 56.100 -0.237 0.000 1.022 81 R CB -0.061 30.138 30.300 -0.169 0.000 1.091 81 R HN 0.829 nan 8.270 nan 0.000 0.497 82 H N 1.751 120.793 119.070 -0.046 0.000 2.491 82 H HA -0.098 4.458 4.556 -0.000 0.000 0.290 82 H C 0.869 176.148 175.328 -0.082 0.000 1.050 82 H CA 1.396 57.418 56.048 -0.042 0.000 1.309 82 H CB 0.489 30.238 29.762 -0.022 0.000 1.392 82 H HN 0.642 nan 8.280 nan 0.000 0.554 83 E N 0.285 120.463 120.200 -0.036 0.000 2.347 83 E HA -0.005 4.345 4.350 -0.000 0.000 0.196 83 E C 0.252 176.588 176.600 -0.440 0.000 1.008 83 E CA 0.303 56.593 56.400 -0.184 0.000 0.852 83 E CB 0.347 29.965 29.700 -0.135 0.000 0.783 83 E HN 0.134 nan 8.360 nan 0.000 0.505 84 S N 2.084 117.617 115.700 -0.280 0.000 2.494 84 S HA 0.064 4.534 4.470 -0.000 0.000 0.312 84 S C -0.463 174.007 174.600 -0.218 0.000 1.121 84 S CA -0.448 57.583 58.200 -0.281 0.000 1.068 84 S CB -0.183 62.917 63.200 -0.167 0.000 1.141 84 S HN 0.223 nan 8.310 nan 0.000 0.527 85 H N 4.671 123.713 119.070 -0.046 0.000 3.034 85 H HA 0.136 4.692 4.556 -0.000 0.000 0.324 85 H C -2.035 173.255 175.328 -0.064 0.000 1.015 85 H CA -1.304 54.716 56.048 -0.047 0.000 1.429 85 H CB -0.220 29.515 29.762 -0.045 0.000 1.429 85 H HN 0.373 nan 8.280 nan 0.000 0.585 86 P HA 0.197 nan 4.420 nan 0.000 0.287 86 P C 0.065 177.353 177.300 -0.019 0.000 1.270 86 P CA -0.714 62.357 63.100 -0.048 0.000 0.844 86 P CB 1.115 32.738 31.700 -0.128 0.000 1.068 87 R N -0.166 120.316 120.500 -0.030 0.000 3.516 87 R HA -0.140 4.200 4.340 -0.000 0.000 0.271 87 R C -0.614 175.694 176.300 0.013 0.000 1.098 87 R CA 0.247 56.349 56.100 0.003 0.000 0.732 87 R CB -2.070 28.251 30.300 0.035 0.000 1.152 87 R HN 0.402 nan 8.270 nan 0.000 0.455 88 L N 1.773 122.995 121.223 -0.002 0.000 2.268 88 L HA 0.358 4.698 4.340 -0.000 0.000 0.289 88 L C 0.031 176.884 176.870 -0.028 0.000 1.064 88 L CA -0.323 54.513 54.840 -0.006 0.000 0.824 88 L CB 0.948 43.012 42.059 0.008 0.000 1.202 88 L HN 0.269 nan 8.230 nan 0.000 0.433 89 E N 3.750 123.946 120.200 -0.008 0.000 2.366 89 E HA -0.009 4.341 4.350 -0.000 0.000 0.266 89 E C 0.618 177.197 176.600 -0.034 0.000 1.015 89 E CA 0.556 56.953 56.400 -0.004 0.000 0.906 89 E CB 0.743 30.471 29.700 0.045 0.000 0.979 89 E HN 0.550 nan 8.360 nan 0.000 0.443 90 K N 3.149 123.485 120.400 -0.107 0.000 2.296 90 K HA 0.067 4.387 4.320 -0.000 0.000 0.200 90 K C 0.638 177.220 176.600 -0.029 0.000 1.048 90 K CA 0.879 57.076 56.287 -0.150 0.000 0.966 90 K CB 0.225 32.489 32.500 -0.394 0.000 0.754 90 K HN 0.477 nan 8.250 nan 0.000 0.466 91 A N 2.316 125.183 122.820 0.079 0.000 3.117 91 A HA 0.066 4.386 4.320 -0.000 0.000 0.255 91 A C 0.071 177.740 177.584 0.143 0.000 1.583 91 A CA -0.113 52.053 52.037 0.214 0.000 1.234 91 A CB -0.830 18.392 19.000 0.369 0.000 1.076 91 A HN 0.250 nan 8.150 nan 0.000 0.653 92 T N -4.503 110.109 114.554 0.096 0.000 2.906 92 T HA 0.592 4.942 4.350 -0.000 0.000 0.295 92 T C -2.538 172.207 174.700 0.074 0.000 1.075 92 T CA -1.762 60.382 62.100 0.072 0.000 1.005 92 T CB 1.873 70.766 68.868 0.042 0.000 1.136 92 T HN -0.067 nan 8.240 nan 0.000 0.498 93 P HA 0.006 nan 4.420 nan 0.000 0.222 93 P C 1.338 178.678 177.300 0.066 0.000 1.147 93 P CA 1.017 64.157 63.100 0.067 0.000 0.790 93 P CB -0.176 31.551 31.700 0.046 0.000 0.780 94 T N -5.904 108.673 114.554 0.038 0.000 3.086 94 T HA 0.234 4.584 4.350 -0.000 0.000 0.250 94 T C 0.937 175.638 174.700 0.002 0.000 1.074 94 T CA -0.149 61.960 62.100 0.015 0.000 0.988 94 T CB -0.156 68.706 68.868 -0.011 0.000 0.988 94 T HN -0.059 nan 8.240 nan 0.000 0.530 95 S N -0.227 115.489 115.700 0.026 0.000 2.702 95 S HA 0.452 4.922 4.470 -0.000 0.000 0.272 95 S C 1.252 175.886 174.600 0.057 0.000 1.068 95 S CA -0.860 57.344 58.200 0.006 0.000 0.964 95 S CB 0.971 64.163 63.200 -0.013 0.000 1.307 95 S HN 0.081 nan 8.310 nan 0.000 0.567 96 R N 0.729 121.248 120.500 0.031 0.000 2.148 96 R HA 0.163 4.503 4.340 -0.000 0.000 0.223 96 R C 0.415 176.833 176.300 0.197 0.000 1.088 96 R CA 0.544 56.698 56.100 0.091 0.000 0.985 96 R CB -0.737 29.554 30.300 -0.015 0.000 0.880 96 R HN 0.384 nan 8.270 nan 0.000 0.451 97 S N 0.385 116.178 115.700 0.156 0.000 2.293 97 S HA 0.322 4.792 4.470 -0.000 0.000 0.154 97 S C -2.234 172.526 174.600 0.266 0.000 1.602 97 S CA -1.375 56.986 58.200 0.268 0.000 1.260 97 S CB 1.111 64.478 63.200 0.279 0.000 1.270 97 S HN -0.153 nan 8.310 nan 0.000 0.416 98 P HA -0.039 nan 4.420 nan 0.000 0.217 98 P C 0.722 178.119 177.300 0.162 0.000 1.148 98 P CA 1.375 64.571 63.100 0.160 0.000 0.828 98 P CB 0.089 31.861 31.700 0.120 0.000 0.783 99 M N -3.356 116.348 119.600 0.172 0.000 2.655 99 M HA 0.172 4.652 4.480 -0.000 0.000 0.311 99 M C 0.846 177.263 176.300 0.194 0.000 1.229 99 M CA -0.311 55.059 55.300 0.117 0.000 0.972 99 M CB -0.124 32.478 32.600 0.003 0.000 1.366 99 M HN -0.172 nan 8.290 nan 0.000 0.500 100 F N 1.923 121.971 119.950 0.162 0.000 2.126 100 F HA -0.254 4.273 4.527 -0.000 0.000 0.299 100 F C 1.908 177.824 175.800 0.194 0.000 1.096 100 F CA 1.897 60.053 58.000 0.260 0.000 1.255 100 F CB -0.032 39.148 39.000 0.301 0.000 0.997 100 F HN 0.260 nan 8.300 nan 0.000 0.479 101 D N 0.086 120.573 120.400 0.144 0.000 2.104 101 D HA -0.232 4.408 4.640 -0.000 0.000 0.194 101 D C 2.269 178.545 176.300 -0.040 0.000 0.994 101 D CA 1.435 55.431 54.000 -0.006 0.000 0.830 101 D CB -0.263 40.556 40.800 0.032 0.000 0.959 101 D HN 0.317 nan 8.370 nan 0.000 0.452 102 K N 0.220 120.627 120.400 0.010 0.000 2.057 102 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 102 K C 2.108 178.783 176.600 0.124 0.000 1.049 102 K CA 0.698 57.005 56.287 0.032 0.000 0.931 102 K CB 0.032 32.536 32.500 0.008 0.000 0.714 102 K HN -0.037 nan 8.250 nan 0.000 0.440 103 L N 0.510 121.774 121.223 0.068 0.000 2.156 103 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 103 L C 1.956 179.037 176.870 0.351 0.000 1.095 103 L CA 1.099 56.028 54.840 0.149 0.000 0.770 103 L CB -0.205 41.742 42.059 -0.187 0.000 0.914 103 L HN 0.196 nan 8.230 nan 0.000 0.439 104 I N -0.549 120.033 120.570 0.021 0.000 3.883 104 I HA 0.249 4.419 4.170 -0.000 0.000 0.326 104 I C 1.116 177.147 176.117 -0.144 0.000 1.283 104 I CA -0.339 60.893 61.300 -0.113 0.000 1.161 104 I CB -0.413 37.094 38.000 -0.823 0.000 1.012 104 I HN 0.028 nan 8.210 nan 0.000 0.421 105 A N 0.456 123.174 122.820 -0.169 0.000 2.580 105 A HA 0.378 4.698 4.320 -0.000 0.000 0.244 105 A C 1.565 179.014 177.584 -0.225 0.000 1.045 105 A CA 0.879 52.758 52.037 -0.263 0.000 0.761 105 A CB -0.843 17.975 19.000 -0.302 0.000 0.962 105 A HN 0.964 nan 8.150 nan 0.000 0.512 106 G N 0.847 109.577 108.800 -0.116 0.000 2.218 106 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 106 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 106 G C 0.248 175.131 174.900 -0.028 0.000 0.994 106 G CA 0.345 45.469 45.100 0.039 0.000 0.637 106 G HN 1.246 nan 8.290 nan 0.000 0.505 107 H N 0.708 119.508 119.070 -0.450 0.000 2.502 107 H HA 0.498 5.054 4.556 -0.000 0.000 0.338 107 H C 1.647 176.896 175.328 -0.131 0.000 1.155 107 H CA 0.355 56.041 56.048 -0.604 0.000 1.237 107 H CB 1.395 30.388 29.762 -1.281 0.000 1.534 107 H HN 0.134 nan 8.280 nan 0.000 0.523 108 G N 2.553 111.133 108.800 -0.366 0.000 2.448 108 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 108 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 108 G C 1.004 176.171 174.900 0.445 0.000 1.127 108 G CA 0.146 45.332 45.100 0.144 0.000 0.766 108 G HN 0.501 nan 8.290 nan 0.000 0.552 109 F N 1.766 121.895 119.950 0.299 0.000 2.408 109 F HA 0.092 4.619 4.527 0.000 0.000 0.300 109 F C 2.818 178.773 175.800 0.257 0.000 1.090 109 F CA 0.021 58.196 58.000 0.292 0.000 1.427 109 F CB -0.408 38.762 39.000 0.283 0.000 1.070 109 F HN 0.244 nan 8.300 nan 0.000 0.549 110 A N -0.785 122.164 122.820 0.216 0.000 2.076 110 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 110 A C 1.950 179.466 177.584 -0.112 0.000 1.160 110 A CA 1.292 53.311 52.037 -0.030 0.000 0.653 110 A CB -1.195 17.647 19.000 -0.264 0.000 0.801 110 A HN 0.328 nan 8.150 nan 0.000 0.455 111 F N -0.974 119.043 119.950 0.113 0.000 2.293 111 F HA 0.200 4.727 4.527 -0.000 0.000 0.297 111 F C 1.040 176.893 175.800 0.088 0.000 1.089 111 F CA 1.359 59.406 58.000 0.078 0.000 1.377 111 F CB 0.310 39.336 39.000 0.043 0.000 1.051 111 F HN 0.326 nan 8.300 nan 0.000 0.511 112 E N -1.376 118.973 120.200 0.248 0.000 2.552 112 E HA 0.136 4.486 4.350 -0.000 0.000 0.297 112 E C -1.867 174.820 176.600 0.145 0.000 1.038 112 E CA -0.525 55.980 56.400 0.176 0.000 0.856 112 E CB 0.652 30.427 29.700 0.127 0.000 1.222 112 E HN 0.015 nan 8.360 nan 0.000 0.422 113 H N 2.393 121.479 119.070 0.025 0.000 3.162 113 H HA 0.618 5.174 4.556 -0.000 0.000 0.309 113 H C -1.628 173.668 175.328 -0.052 0.000 1.156 113 H CA 0.271 56.275 56.048 -0.074 0.000 1.586 113 H CB 0.797 30.588 29.762 0.049 0.000 1.740 113 H HN 0.591 nan 8.280 nan 0.000 0.525 114 A N 3.712 126.496 122.820 -0.059 0.000 2.279 114 A HA 0.448 4.768 4.320 -0.000 0.000 0.303 114 A C 0.146 177.604 177.584 -0.211 0.000 1.108 114 A CA -0.705 51.260 52.037 -0.120 0.000 0.830 114 A CB 0.593 19.570 19.000 -0.038 0.000 1.106 114 A HN 0.801 nan 8.150 nan 0.000 0.493 115 E N 1.396 121.494 120.200 -0.169 0.000 2.418 115 E HA 0.186 4.536 4.350 -0.000 0.000 0.261 115 E C -1.979 174.573 176.600 -0.081 0.000 1.070 115 E CA -1.089 55.228 56.400 -0.138 0.000 0.931 115 E CB 0.042 29.689 29.700 -0.089 0.000 0.954 115 E HN 0.499 nan 8.360 nan 0.000 0.439 116 P HA 0.047 nan 4.420 nan 0.000 0.272 116 P C -0.736 176.536 177.300 -0.047 0.000 1.230 116 P CA 0.109 63.187 63.100 -0.037 0.000 0.788 116 P CB 0.843 32.526 31.700 -0.029 0.000 0.949 117 R N -0.532 119.953 120.500 -0.025 0.000 3.121 117 R HA 0.622 4.962 4.340 -0.000 0.000 0.242 117 R C -0.361 175.946 176.300 0.012 0.000 1.402 117 R CA -0.968 55.118 56.100 -0.023 0.000 1.042 117 R CB -0.149 30.130 30.300 -0.034 0.000 1.410 117 R HN 0.227 nan 8.270 nan 0.000 0.494 118 S N 0.058 115.793 115.700 0.058 0.000 2.568 118 S HA -0.008 4.462 4.470 -0.000 0.000 0.282 118 S C 0.808 175.410 174.600 0.002 0.000 1.338 118 S CA -0.256 57.918 58.200 -0.043 0.000 1.045 118 S CB 0.162 63.307 63.200 -0.091 0.000 0.873 118 S HN 0.616 nan 8.310 nan 0.000 0.516 119 H N 1.549 120.542 119.070 -0.128 0.000 2.426 119 H HA -0.176 4.380 4.556 -0.000 0.000 0.298 119 H C 2.288 177.509 175.328 -0.179 0.000 1.107 119 H CA 0.977 56.975 56.048 -0.084 0.000 1.298 119 H CB -0.066 29.727 29.762 0.052 0.000 1.377 119 H HN 0.756 nan 8.280 nan 0.000 0.519 120 A N 0.685 123.275 122.820 -0.384 0.000 1.997 120 A HA -0.204 4.115 4.320 -0.000 0.000 0.221 120 A C 1.456 178.775 177.584 -0.443 0.000 1.172 120 A CA 1.509 53.204 52.037 -0.571 0.000 0.645 120 A CB -0.653 17.781 19.000 -0.944 0.000 0.813 120 A HN 0.355 nan 8.150 nan 0.000 0.454 121 F N -0.070 119.843 119.950 -0.061 0.000 2.732 121 F HA 0.147 4.674 4.527 -0.000 0.000 0.303 121 F C 2.139 177.907 175.800 -0.053 0.000 1.110 121 F CA 0.458 58.441 58.000 -0.029 0.000 1.355 121 F CB -0.608 38.391 39.000 -0.002 0.000 1.081 121 F HN 0.331 nan 8.300 nan 0.000 0.565 122 M N -1.355 118.283 119.600 0.063 0.000 2.117 122 M HA -0.142 4.338 4.480 -0.000 0.000 0.262 122 M C 1.955 178.178 176.300 -0.127 0.000 1.065 122 M CA 1.860 57.151 55.300 -0.015 0.000 1.114 122 M CB -0.693 31.871 32.600 -0.059 0.000 1.361 122 M HN 0.251 nan 8.290 nan 0.000 0.408 123 L N 1.710 122.803 121.223 -0.216 0.000 2.044 123 L HA -0.044 4.296 4.340 -0.000 0.000 0.205 123 L C 2.623 179.169 176.870 -0.540 0.000 1.075 123 L CA 1.541 56.104 54.840 -0.463 0.000 0.747 123 L CB -0.593 41.179 42.059 -0.477 0.000 0.903 123 L HN 0.391 nan 8.230 nan 0.000 0.435 124 V N -3.175 116.569 119.914 -0.282 0.000 2.407 124 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 124 V C 2.071 178.049 176.094 -0.193 0.000 1.055 124 V CA 1.982 64.125 62.300 -0.263 0.000 1.049 124 V CB -1.122 30.592 31.823 -0.181 0.000 0.662 124 V HN 0.354 nan 8.190 nan 0.000 0.455 125 D N 0.051 120.427 120.400 -0.041 0.000 2.144 125 D HA -0.130 4.510 4.640 -0.000 0.000 0.200 125 D C 2.028 178.313 176.300 -0.024 0.000 0.978 125 D CA 1.966 55.969 54.000 0.005 0.000 0.833 125 D CB -0.439 40.395 40.800 0.056 0.000 0.961 125 D HN 0.801 nan 8.370 nan 0.000 0.470 126 H N -0.250 118.727 119.070 -0.155 0.000 2.352 126 H HA -0.142 4.414 4.556 -0.000 0.000 0.299 126 H C 1.663 177.040 175.328 0.081 0.000 1.097 126 H CA 1.555 57.529 56.048 -0.123 0.000 1.311 126 H CB -0.322 29.264 29.762 -0.293 0.000 1.377 126 H HN 0.005 nan 8.280 nan 0.000 0.504 127 F N 0.018 119.866 119.950 -0.169 0.000 2.259 127 F HA -0.048 4.479 4.527 -0.000 0.000 0.298 127 F C 2.599 178.366 175.800 -0.055 0.000 1.088 127 F CA 1.229 59.098 58.000 -0.217 0.000 1.358 127 F CB -0.629 38.038 39.000 -0.555 0.000 1.040 127 F HN 0.313 nan 8.300 nan 0.000 0.505 128 V N -3.072 116.861 119.914 0.032 0.000 3.590 128 V HA 0.239 4.359 4.120 -0.000 0.000 0.265 128 V C 0.848 176.952 176.094 0.017 0.000 1.239 128 V CA -0.181 62.108 62.300 -0.017 0.000 1.117 128 V CB -0.575 31.138 31.823 -0.183 0.000 0.818 128 V HN -0.088 nan 8.190 nan 0.000 0.451 129 V N 2.384 122.311 119.914 0.020 0.000 2.763 129 V HA 0.052 4.172 4.120 -0.000 0.000 0.306 129 V C 1.559 177.671 176.094 0.029 0.000 1.059 129 V CA 0.858 63.168 62.300 0.016 0.000 1.138 129 V CB 0.976 32.790 31.823 -0.014 0.000 0.940 129 V HN 0.553 nan 8.190 nan 0.000 0.489 130 D N 4.026 124.454 120.400 0.047 0.000 2.263 130 D HA -0.128 4.512 4.640 -0.000 0.000 0.208 130 D C 1.942 178.258 176.300 0.027 0.000 0.971 130 D CA 1.463 55.499 54.000 0.060 0.000 0.867 130 D CB 0.037 40.908 40.800 0.118 0.000 0.929 130 D HN 0.811 nan 8.370 nan 0.000 0.492 131 R N -0.098 120.411 120.500 0.015 0.000 2.297 131 R HA 0.334 4.674 4.340 -0.000 0.000 0.197 131 R C 1.581 177.823 176.300 -0.096 0.000 0.943 131 R CA 0.655 56.744 56.100 -0.017 0.000 1.038 131 R CB 0.204 30.510 30.300 0.011 0.000 0.957 131 R HN 0.001 nan 8.270 nan 0.000 0.484 132 A N 0.512 123.269 122.820 -0.105 0.000 1.909 132 A HA 0.158 4.478 4.320 -0.000 0.000 0.209 132 A C 0.464 177.800 177.584 -0.413 0.000 1.247 132 A CA 0.267 52.149 52.037 -0.258 0.000 0.660 132 A CB 0.066 18.913 19.000 -0.257 0.000 0.910 132 A HN 0.368 nan 8.150 nan 0.000 0.465 133 Y N -0.560 119.705 120.300 -0.057 0.000 2.698 133 Y HA 0.429 4.979 4.550 0.000 0.000 0.261 133 Y C 1.358 177.206 175.900 -0.088 0.000 1.104 133 Y CA -0.182 57.869 58.100 -0.082 0.000 1.145 133 Y CB 0.536 38.905 38.460 -0.151 0.000 1.191 133 Y HN 0.454 nan 8.280 nan 0.000 0.564 134 G N 0.316 109.134 108.800 0.029 0.000 2.203 134 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.263 134 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.263 134 G C 1.260 176.238 174.900 0.129 0.000 1.012 134 G CA 0.520 45.654 45.100 0.058 0.000 0.749 134 G HN 1.271 nan 8.290 nan 0.000 0.512 135 G N -0.868 107.958 108.800 0.043 0.000 2.148 135 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.254 135 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.254 135 G C 1.138 175.909 174.900 -0.216 0.000 0.981 135 G CA 1.406 46.499 45.100 -0.013 0.000 0.670 135 G HN 1.222 nan 8.290 nan 0.000 0.528 136 R N -0.808 119.424 120.500 -0.446 0.000 2.083 136 R HA 0.039 4.379 4.340 -0.000 0.000 0.237 136 R C 0.559 176.370 176.300 -0.816 0.000 1.137 136 R CA 1.340 56.753 56.100 -1.145 0.000 0.951 136 R CB -0.163 29.388 30.300 -1.248 0.000 0.851 136 R HN 0.334 nan 8.270 nan 0.000 0.434 137 F N 0.655 120.422 119.950 -0.304 0.000 2.422 137 F HA 0.438 4.965 4.527 -0.000 0.000 0.333 137 F C -0.014 175.633 175.800 -0.254 0.000 1.095 137 F CA -0.548 57.286 58.000 -0.276 0.000 1.038 137 F CB 1.642 40.450 39.000 -0.320 0.000 1.156 137 F HN 0.012 nan 8.300 nan 0.000 0.483 138 Q N 1.177 120.940 119.800 -0.061 0.000 2.456 138 Q HA 0.449 4.789 4.340 -0.000 0.000 0.283 138 Q C -1.279 174.586 176.000 -0.225 0.000 1.084 138 Q CA -1.130 54.576 55.803 -0.161 0.000 0.801 138 Q CB 2.653 31.311 28.738 -0.133 0.000 1.434 138 Q HN 0.392 nan 8.270 nan 0.000 0.419 139 F N 1.449 121.283 119.950 -0.194 0.000 2.545 139 F HA -0.027 4.500 4.527 -0.000 0.000 0.348 139 F C 1.694 177.413 175.800 -0.134 0.000 1.163 139 F CA 0.591 58.492 58.000 -0.165 0.000 1.331 139 F CB 0.428 39.309 39.000 -0.199 0.000 1.138 139 F HN 0.466 nan 8.300 nan 0.000 0.602 140 K N 0.693 121.167 120.400 0.124 0.000 2.113 140 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 140 K C 0.007 176.643 176.600 0.061 0.000 1.047 140 K CA 1.866 58.196 56.287 0.071 0.000 0.928 140 K CB -0.378 32.169 32.500 0.078 0.000 0.716 140 K HN 0.771 nan 8.250 nan 0.000 0.446 141 N N -3.180 115.563 118.700 0.070 0.000 3.106 141 N HA 0.064 4.804 4.740 -0.000 0.000 0.253 141 N C -0.645 174.889 175.510 0.039 0.000 1.506 141 N CA -0.860 52.233 53.050 0.071 0.000 0.876 141 N CB -0.359 38.198 38.487 0.117 0.000 1.452 141 N HN -0.134 nan 8.380 nan 0.000 0.542 142 W N -0.230 121.077 121.300 0.013 0.000 2.699 142 W HA 0.150 4.810 4.660 -0.000 0.000 0.249 142 W C 1.599 178.059 176.519 -0.099 0.000 1.280 142 W CA 0.313 57.633 57.345 -0.041 0.000 1.345 142 W CB -0.179 29.263 29.460 -0.030 0.000 1.128 142 W HN 0.573 nan 8.180 nan 0.000 0.642 143 Q N 0.260 120.129 119.800 0.115 0.000 2.224 143 Q HA -0.124 4.216 4.340 -0.000 0.000 0.203 143 Q C 1.974 177.939 176.000 -0.057 0.000 0.970 143 Q CA 0.810 56.630 55.803 0.028 0.000 0.865 143 Q CB -0.232 28.528 28.738 0.037 0.000 0.922 143 Q HN 0.083 nan 8.270 nan 0.000 0.445 144 K N 0.791 121.135 120.400 -0.094 0.000 2.439 144 K HA -0.061 4.259 4.320 -0.000 0.000 0.197 144 K C 2.023 178.360 176.600 -0.438 0.000 1.041 144 K CA 0.765 56.976 56.287 -0.127 0.000 0.970 144 K CB -0.112 32.425 32.500 0.060 0.000 0.773 144 K HN 0.274 nan 8.250 nan 0.000 0.479 145 V N -0.309 119.179 119.914 -0.710 0.000 2.688 145 V HA -0.184 3.936 4.120 -0.000 0.000 0.256 145 V C 2.017 177.819 176.094 -0.486 0.000 1.084 145 V CA 2.218 63.945 62.300 -0.956 0.000 1.103 145 V CB -1.471 29.945 31.823 -0.677 0.000 0.688 145 V HN 0.295 nan 8.190 nan 0.000 0.480 146 T N -3.249 111.197 114.554 -0.182 0.000 3.081 146 T HA 0.033 4.383 4.350 -0.000 0.000 0.255 146 T C 0.839 175.682 174.700 0.239 0.000 1.113 146 T CA 0.692 62.816 62.100 0.040 0.000 1.082 146 T CB -0.378 68.513 68.868 0.039 0.000 0.939 146 T HN 0.492 nan 8.240 nan 0.000 0.506 147 D N 1.540 122.067 120.400 0.211 0.000 2.522 147 D HA 0.393 5.033 4.640 -0.000 0.000 0.218 147 D C 1.451 177.838 176.300 0.145 0.000 1.149 147 D CA -0.289 53.812 54.000 0.168 0.000 0.981 147 D CB 0.291 41.158 40.800 0.110 0.000 1.041 147 D HN 0.281 nan 8.370 nan 0.000 0.518 148 G N 2.534 111.311 108.800 -0.039 0.000 2.402 148 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.216 148 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.216 148 G C 1.325 176.028 174.900 -0.328 0.000 1.162 148 G CA 0.609 45.358 45.100 -0.585 0.000 0.777 148 G HN 0.463 nan 8.290 nan 0.000 0.539 149 M N 1.732 121.238 119.600 -0.156 0.000 2.117 149 M HA 0.119 4.599 4.480 -0.000 0.000 0.262 149 M C 2.436 178.738 176.300 0.003 0.000 1.065 149 M CA 1.914 57.179 55.300 -0.059 0.000 1.114 149 M CB -0.762 31.839 32.600 0.002 0.000 1.361 149 M HN 0.125 nan 8.290 nan 0.000 0.408 150 G N -0.824 107.985 108.800 0.015 0.000 2.421 150 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.216 150 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.216 150 G C 1.573 176.495 174.900 0.037 0.000 1.171 150 G CA 0.994 46.122 45.100 0.047 0.000 0.775 150 G HN 0.673 nan 8.290 nan 0.000 0.543 151 A N 0.142 122.970 122.820 0.015 0.000 1.908 151 A HA 0.033 4.353 4.320 -0.000 0.000 0.218 151 A C 2.610 180.178 177.584 -0.026 0.000 1.181 151 A CA 1.929 53.961 52.037 -0.009 0.000 0.627 151 A CB -0.670 18.325 19.000 -0.008 0.000 0.818 151 A HN 0.274 nan 8.150 nan 0.000 0.445 152 V N -0.217 119.681 119.914 -0.027 0.000 2.343 152 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 152 V C 2.621 178.833 176.094 0.196 0.000 1.051 152 V CA 2.330 64.682 62.300 0.087 0.000 1.036 152 V CB -0.812 31.066 31.823 0.092 0.000 0.654 152 V HN 0.667 nan 8.190 nan 0.000 0.451 153 R N 0.346 120.941 120.500 0.158 0.000 2.091 153 R HA 0.015 4.355 4.340 -0.000 0.000 0.238 153 R C 0.824 177.242 176.300 0.197 0.000 1.136 153 R CA 1.491 57.698 56.100 0.178 0.000 0.959 153 R CB -0.100 30.269 30.300 0.115 0.000 0.856 153 R HN 0.592 nan 8.270 nan 0.000 0.437 154 G N -3.329 105.518 108.800 0.079 0.000 2.443 154 G HA2 0.375 4.335 3.960 -0.000 0.000 0.303 154 G HA3 0.375 4.335 3.960 -0.000 0.000 0.303 154 G C -0.136 174.677 174.900 -0.145 0.000 1.613 154 G CA -0.276 44.796 45.100 -0.048 0.000 0.879 154 G HN 0.173 nan 8.290 nan 0.000 0.632 155 A N 0.369 122.995 122.820 -0.323 0.000 1.917 155 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 155 A C 1.767 178.935 177.584 -0.693 0.000 1.182 155 A CA 2.065 53.760 52.037 -0.570 0.000 0.633 155 A CB -0.579 17.940 19.000 -0.802 0.000 0.819 155 A HN 0.915 nan 8.150 nan 0.000 0.448 156 W N 0.187 121.402 121.300 -0.141 0.000 3.077 156 W HA 0.062 4.722 4.660 -0.000 0.000 0.245 156 W C 2.332 178.796 176.519 -0.091 0.000 1.316 156 W CA 0.879 58.124 57.345 -0.167 0.000 1.537 156 W CB -0.322 29.019 29.460 -0.197 0.000 1.131 156 W HN 0.487 nan 8.180 nan 0.000 0.695 157 T N -2.607 111.974 114.554 0.046 0.000 3.055 157 T HA -0.095 4.255 4.350 -0.000 0.000 0.265 157 T C 1.414 176.143 174.700 0.048 0.000 1.111 157 T CA 1.351 63.485 62.100 0.056 0.000 1.118 157 T CB -0.481 68.419 68.868 0.053 0.000 0.909 157 T HN 0.095 nan 8.240 nan 0.000 0.501 158 V N -2.342 117.577 119.914 0.009 0.000 3.502 158 V HA 0.539 4.659 4.120 -0.000 0.000 0.288 158 V C 0.304 176.414 176.094 0.026 0.000 1.461 158 V CA -0.641 61.703 62.300 0.073 0.000 1.029 158 V CB -0.309 31.624 31.823 0.184 0.000 0.843 158 V HN 0.335 nan 8.190 nan 0.000 0.438 159 L N 0.866 122.017 121.223 -0.119 0.000 2.322 159 L HA 0.772 5.112 4.340 -0.000 0.000 0.269 159 L C -0.023 176.870 176.870 0.038 0.000 1.012 159 L CA -0.277 54.451 54.840 -0.186 0.000 0.815 159 L CB 2.135 43.867 42.059 -0.546 0.000 1.295 159 L HN 0.093 nan 8.230 nan 0.000 0.438 160 T N -0.959 113.622 114.554 0.046 0.000 2.907 160 T HA 0.302 4.652 4.350 -0.000 0.000 0.292 160 T C -1.190 173.598 174.700 0.146 0.000 1.043 160 T CA -0.550 61.604 62.100 0.090 0.000 1.003 160 T CB 2.231 71.117 68.868 0.030 0.000 1.084 160 T HN 0.423 nan 8.240 nan 0.000 0.483 161 D N 0.613 121.073 120.400 0.099 0.000 2.303 161 D HA 0.510 5.150 4.640 -0.000 0.000 0.236 161 D C 0.942 177.167 176.300 -0.126 0.000 1.068 161 D CA -0.756 53.279 54.000 0.059 0.000 0.830 161 D CB 1.681 42.495 40.800 0.024 0.000 1.109 161 D HN 0.517 nan 8.370 nan 0.000 0.496 162 A N 3.697 126.323 122.820 -0.322 0.000 2.024 162 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 162 A C 0.846 178.343 177.584 -0.144 0.000 1.164 162 A CA 1.242 53.094 52.037 -0.307 0.000 0.643 162 A CB 0.034 18.669 19.000 -0.608 0.000 0.806 162 A HN 0.513 nan 8.150 nan 0.000 0.451 163 D N -2.696 117.613 120.400 -0.152 0.000 2.472 163 D HA 0.340 4.980 4.640 -0.000 0.000 0.248 163 D C -2.446 173.843 176.300 -0.019 0.000 1.271 163 D CA -1.629 52.378 54.000 0.011 0.000 0.888 163 D CB 1.008 41.928 40.800 0.201 0.000 1.337 163 D HN -0.072 nan 8.370 nan 0.000 0.526 164 P HA -0.062 nan 4.420 nan 0.000 0.225 164 P C 0.820 178.104 177.300 -0.027 0.000 1.148 164 P CA 0.702 63.769 63.100 -0.055 0.000 0.779 164 P CB 0.455 32.115 31.700 -0.065 0.000 0.780 165 E N -0.612 119.587 120.200 -0.001 0.000 2.481 165 E HA 0.042 4.392 4.350 -0.000 0.000 0.195 165 E C 0.780 177.393 176.600 0.021 0.000 1.047 165 E CA 0.436 56.842 56.400 0.009 0.000 0.867 165 E CB -0.186 29.522 29.700 0.013 0.000 0.858 165 E HN 0.334 nan 8.360 nan 0.000 0.513 166 S N -0.712 115.009 115.700 0.035 0.000 2.599 166 S HA 0.503 4.973 4.470 -0.000 0.000 0.294 166 S C 0.462 175.094 174.600 0.053 0.000 1.094 166 S CA -0.347 57.882 58.200 0.047 0.000 0.931 166 S CB 1.965 65.201 63.200 0.059 0.000 1.093 166 S HN -0.056 nan 8.310 nan 0.000 0.488 167 S N -0.891 114.846 115.700 0.062 0.000 2.780 167 S HA 0.201 4.671 4.470 -0.000 0.000 0.248 167 S C -0.193 174.464 174.600 0.095 0.000 1.036 167 S CA -0.532 57.715 58.200 0.079 0.000 1.061 167 S CB -0.529 62.725 63.200 0.090 0.000 1.037 167 S HN 0.858 nan 8.310 nan 0.000 0.584 168 D N 1.390 121.837 120.400 0.078 0.000 2.304 168 D HA 0.108 4.748 4.640 -0.000 0.000 0.247 168 D C -0.439 175.912 176.300 0.085 0.000 1.089 168 D CA -0.326 53.716 54.000 0.070 0.000 0.910 168 D CB 0.622 41.441 40.800 0.032 0.000 1.199 168 D HN 0.040 nan 8.370 nan 0.000 0.426 169 Q N 1.335 121.182 119.800 0.079 0.000 2.281 169 Q HA 0.165 4.505 4.340 -0.000 0.000 0.267 169 Q C 0.188 176.198 176.000 0.017 0.000 1.053 169 Q CA 0.300 56.147 55.803 0.073 0.000 0.905 169 Q CB 0.952 29.720 28.738 0.049 0.000 1.195 169 Q HN 0.613 nan 8.270 nan 0.000 0.398 170 R N 1.039 121.548 120.500 0.015 0.000 2.781 170 R HA 0.574 4.914 4.340 -0.000 0.000 0.269 170 R C -0.816 175.415 176.300 -0.115 0.000 1.025 170 R CA -1.015 55.019 56.100 -0.109 0.000 0.914 170 R CB 1.462 31.621 30.300 -0.234 0.000 1.236 170 R HN 0.274 nan 8.270 nan 0.000 0.465 171 R N 0.612 121.007 120.500 -0.175 0.000 2.389 171 R HA 0.204 4.544 4.340 -0.000 0.000 0.295 171 R C -0.297 175.853 176.300 -0.250 0.000 1.075 171 R CA 0.009 56.036 56.100 -0.120 0.000 1.005 171 R CB 0.373 30.604 30.300 -0.116 0.000 0.987 171 R HN 0.508 nan 8.270 nan 0.000 0.452 172 F N 1.750 121.657 119.950 -0.071 0.000 2.717 172 F HA 0.205 4.732 4.527 -0.000 0.000 0.295 172 F C 0.182 175.965 175.800 -0.029 0.000 1.117 172 F CA 0.065 58.033 58.000 -0.054 0.000 1.361 172 F CB 0.489 39.447 39.000 -0.070 0.000 1.112 172 F HN 0.214 nan 8.300 nan 0.000 0.594 173 L N -1.425 119.875 121.223 0.129 0.000 2.393 173 L HA 0.317 4.657 4.340 -0.000 0.000 0.260 173 L C 1.364 178.263 176.870 0.049 0.000 1.002 173 L CA -0.326 54.565 54.840 0.085 0.000 0.818 173 L CB 1.903 44.022 42.059 0.100 0.000 1.369 173 L HN -0.116 nan 8.230 nan 0.000 0.412 174 S N -0.310 115.423 115.700 0.055 0.000 2.368 174 S HA -0.084 4.386 4.470 -0.000 0.000 0.225 174 S C 0.768 175.423 174.600 0.092 0.000 1.030 174 S CA 0.767 59.000 58.200 0.055 0.000 0.999 174 S CB -0.160 63.078 63.200 0.065 0.000 0.844 174 S HN 0.632 nan 8.310 nan 0.000 0.459 175 Q N 2.814 122.701 119.800 0.144 0.000 3.041 175 Q HA 0.345 4.685 4.340 -0.000 0.000 0.372 175 Q C -0.069 176.090 176.000 0.266 0.000 1.241 175 Q CA 0.041 56.023 55.803 0.298 0.000 1.010 175 Q CB 0.034 28.933 28.738 0.268 0.000 1.467 175 Q HN 0.803 nan 8.270 nan 0.000 0.462 176 T N -3.183 111.332 114.554 -0.066 0.000 2.887 176 T HA 0.923 5.273 4.350 -0.000 0.000 0.292 176 T C -0.573 173.677 174.700 -0.750 0.000 1.087 176 T CA -0.814 61.142 62.100 -0.239 0.000 1.009 176 T CB 2.353 71.175 68.868 -0.078 0.000 1.203 176 T HN 0.178 nan 8.240 nan 0.000 0.518 177 A N 0.428 122.900 122.820 -0.580 0.000 2.530 177 A HA 0.845 5.165 4.320 -0.000 0.000 0.288 177 A C 0.225 177.654 177.584 -0.258 0.000 1.172 177 A CA -0.572 51.138 52.037 -0.545 0.000 0.733 177 A CB 1.271 19.924 19.000 -0.578 0.000 1.320 177 A HN 1.399 nan 8.150 nan 0.000 0.419 178 T N -2.183 112.249 114.554 -0.203 0.000 3.327 178 T HA 0.510 4.860 4.350 -0.000 0.000 0.244 178 T C 0.757 175.367 174.700 -0.150 0.000 1.074 178 T CA 0.484 62.490 62.100 -0.157 0.000 1.156 178 T CB 0.311 69.119 68.868 -0.100 0.000 1.087 178 T HN 1.189 nan 8.240 nan 0.000 0.575 179 A N 1.121 123.853 122.820 -0.146 0.000 2.066 179 A HA 0.600 4.920 4.320 -0.000 0.000 0.218 179 A C 1.643 179.181 177.584 -0.076 0.000 1.157 179 A CA 0.417 52.410 52.037 -0.075 0.000 0.670 179 A CB -0.706 18.293 19.000 -0.002 0.000 0.804 179 A HN 0.970 nan 8.150 nan 0.000 0.453 180 A N 0.721 123.396 122.820 -0.243 0.000 2.483 180 A HA 0.444 4.764 4.320 -0.000 0.000 0.238 180 A C 0.209 177.760 177.584 -0.054 0.000 1.070 180 A CA 0.421 52.318 52.037 -0.233 0.000 0.770 180 A CB -0.261 18.217 19.000 -0.871 0.000 1.008 180 A HN 0.860 nan 8.150 nan 0.000 0.497 181 N N 0.149 118.913 118.700 0.107 0.000 2.825 181 N HA 0.548 5.288 4.740 -0.000 0.000 0.253 181 N C -2.933 172.732 175.510 0.259 0.000 1.426 181 N CA -1.585 51.570 53.050 0.175 0.000 0.851 181 N CB 0.993 39.573 38.487 0.154 0.000 1.470 181 N HN 0.056 nan 8.380 nan 0.000 0.517 182 P HA -0.072 nan 4.420 nan 0.000 0.220 182 P C 1.036 178.495 177.300 0.264 0.000 1.148 182 P CA 0.610 63.963 63.100 0.422 0.000 0.803 182 P CB 0.240 32.146 31.700 0.343 0.000 0.782 183 V N -0.661 119.412 119.914 0.264 0.000 2.407 183 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 183 V C 2.429 178.545 176.094 0.038 0.000 1.055 183 V CA 1.852 64.269 62.300 0.194 0.000 1.049 183 V CB -1.562 30.425 31.823 0.273 0.000 0.662 183 V HN 0.226 nan 8.190 nan 0.000 0.455 184 C N -0.047 119.287 119.300 0.055 0.000 2.375 184 C HA -0.218 4.242 4.460 -0.000 0.000 0.274 184 C C 2.579 177.380 174.990 -0.315 0.000 1.190 184 C CA 0.745 59.715 59.018 -0.080 0.000 1.775 184 C CB -1.330 26.401 27.740 -0.014 0.000 2.067 184 C HN 0.459 nan 8.230 nan 0.000 0.463 185 L N 1.452 122.456 121.223 -0.365 0.000 2.265 185 L HA -0.098 4.242 4.340 -0.000 0.000 0.215 185 L C 2.147 178.764 176.870 -0.422 0.000 1.117 185 L CA 1.559 56.070 54.840 -0.548 0.000 0.782 185 L CB -1.490 40.139 42.059 -0.716 0.000 0.914 185 L HN 0.541 nan 8.230 nan 0.000 0.441 186 N N -0.660 117.843 118.700 -0.330 0.000 2.364 186 N HA -0.138 4.602 4.740 -0.000 0.000 0.183 186 N C 1.344 176.755 175.510 -0.165 0.000 1.022 186 N CA 1.094 54.033 53.050 -0.185 0.000 0.883 186 N CB 0.130 38.506 38.487 -0.185 0.000 0.965 186 N HN 0.368 nan 8.380 nan 0.000 0.438 187 C N 0.659 119.823 119.300 -0.226 0.000 2.780 187 C HA 0.278 4.737 4.460 -0.000 0.000 0.287 187 C C 1.549 176.361 174.990 -0.297 0.000 1.288 187 C CA -0.348 58.522 59.018 -0.247 0.000 1.713 187 C CB -0.366 27.198 27.740 -0.293 0.000 1.955 187 C HN 0.250 nan 8.230 nan 0.000 0.613 188 K N -0.315 119.891 120.400 -0.323 0.000 2.474 188 K HA 0.222 4.542 4.320 -0.000 0.000 0.202 188 K C 0.570 176.997 176.600 -0.288 0.000 1.248 188 K CA 0.608 56.688 56.287 -0.345 0.000 0.946 188 K CB 0.551 32.751 32.500 -0.500 0.000 1.102 188 K HN 0.342 nan 8.250 nan 0.000 0.541 189 T N -0.100 114.312 114.554 -0.236 0.000 2.830 189 T HA 0.252 4.602 4.350 -0.000 0.000 0.322 189 T C -1.353 173.314 174.700 -0.056 0.000 1.501 189 T CA -0.368 61.636 62.100 -0.160 0.000 1.036 189 T CB 1.378 70.157 68.868 -0.149 0.000 1.379 189 T HN -0.156 nan 8.240 nan 0.000 0.493 190 Q N 1.705 121.452 119.800 -0.088 0.000 2.129 190 Q HA 0.192 4.532 4.340 -0.000 0.000 0.274 190 Q C 0.072 176.124 176.000 0.088 0.000 0.854 190 Q CA -0.195 55.547 55.803 -0.102 0.000 1.123 190 Q CB 0.849 29.554 28.738 -0.054 0.000 1.226 190 Q HN 0.641 nan 8.270 nan 0.000 0.454 191 D N 0.460 120.977 120.400 0.195 0.000 2.221 191 D HA -0.157 4.483 4.640 -0.000 0.000 0.204 191 D C 1.421 177.895 176.300 0.289 0.000 0.982 191 D CA 1.222 55.390 54.000 0.280 0.000 0.857 191 D CB 0.141 41.074 40.800 0.221 0.000 0.934 191 D HN 0.504 nan 8.370 nan 0.000 0.475 192 H N -0.558 118.640 119.070 0.212 0.000 2.524 192 H HA 0.153 4.709 4.556 -0.000 0.000 0.280 192 H C 2.027 177.549 175.328 0.324 0.000 1.018 192 H CA -0.236 56.024 56.048 0.353 0.000 1.165 192 H CB -0.759 29.298 29.762 0.492 0.000 1.411 192 H HN 0.171 nan 8.280 nan 0.000 0.569 193 I N 0.985 121.488 120.570 -0.112 0.000 2.315 193 I HA -0.247 3.923 4.170 -0.000 0.000 0.251 193 I C 1.370 177.538 176.117 0.084 0.000 1.125 193 I CA 1.114 62.366 61.300 -0.080 0.000 1.392 193 I CB 0.147 38.132 38.000 -0.026 0.000 1.065 193 I HN 0.213 nan 8.210 nan 0.000 0.424 194 L N -0.163 121.156 121.223 0.161 0.000 2.607 194 L HA 0.105 4.445 4.340 -0.000 0.000 0.228 194 L C 0.505 177.632 176.870 0.429 0.000 1.123 194 L CA 0.067 55.063 54.840 0.261 0.000 0.890 194 L CB -0.160 41.985 42.059 0.143 0.000 1.103 194 L HN 0.152 nan 8.230 nan 0.000 0.468 195 D N -1.086 119.594 120.400 0.467 0.000 2.503 195 D HA 0.053 4.693 4.640 -0.000 0.000 0.218 195 D C -0.532 176.135 176.300 0.611 0.000 1.183 195 D CA 0.132 54.442 54.000 0.517 0.000 0.827 195 D CB 0.907 42.028 40.800 0.536 0.000 1.034 195 D HN 0.173 nan 8.370 nan 0.000 0.510 196 W N 2.122 123.582 121.300 0.267 0.000 2.830 196 W HA 0.592 5.252 4.660 -0.000 0.000 0.335 196 W C -1.315 175.044 176.519 -0.266 0.000 1.043 196 W CA -0.896 56.531 57.345 0.137 0.000 1.239 196 W CB 1.198 30.853 29.460 0.325 0.000 1.378 196 W HN -0.223 nan 8.180 nan 0.000 0.456 197 A N 4.741 127.226 122.820 -0.558 0.000 2.351 197 A HA 0.165 4.485 4.320 -0.000 0.000 0.257 197 A C -0.968 176.315 177.584 -0.501 0.000 1.087 197 A CA -0.331 51.268 52.037 -0.731 0.000 0.798 197 A CB 0.117 18.921 19.000 -0.326 0.000 1.033 197 A HN 0.660 nan 8.150 nan 0.000 0.488 198 Y N 2.354 122.425 120.300 -0.382 0.000 2.944 198 Y HA -0.034 4.516 4.550 -0.000 0.000 0.340 198 Y C 1.121 176.928 175.900 -0.156 0.000 1.275 198 Y CA 1.617 59.619 58.100 -0.163 0.000 1.590 198 Y CB -0.034 38.363 38.460 -0.105 0.000 1.218 198 Y HN 0.723 nan 8.280 nan 0.000 0.576 199 M N 3.082 122.430 119.600 -0.420 0.000 2.931 199 M HA -0.264 4.216 4.480 -0.000 0.000 0.190 199 M C 1.156 177.319 176.300 -0.229 0.000 0.626 199 M CA 1.449 56.568 55.300 -0.303 0.000 0.722 199 M CB -2.554 29.831 32.600 -0.359 0.000 2.597 199 M HN 1.451 nan 8.290 nan 0.000 0.299 200 G N 0.381 108.746 108.800 -0.726 0.000 2.143 200 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.248 200 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.248 200 G C -0.159 174.359 174.900 -0.636 0.000 0.991 200 G CA 0.529 44.817 45.100 -1.354 0.000 0.689 200 G HN 0.543 nan 8.290 nan 0.000 0.522 201 D N 1.094 121.269 120.400 -0.375 0.000 2.400 201 D HA 0.330 4.970 4.640 -0.000 0.000 0.238 201 D C 0.962 177.174 176.300 -0.147 0.000 1.157 201 D CA 0.034 53.926 54.000 -0.180 0.000 0.889 201 D CB 0.516 41.273 40.800 -0.071 0.000 1.199 201 D HN 0.277 nan 8.370 nan 0.000 0.436 202 E N 1.190 121.345 120.200 -0.076 0.000 2.452 202 E HA 0.021 4.371 4.350 -0.000 0.000 0.261 202 E C 0.063 176.697 176.600 0.057 0.000 0.987 202 E CA 0.756 57.140 56.400 -0.027 0.000 0.926 202 E CB 0.419 30.103 29.700 -0.027 0.000 0.934 202 E HN 0.384 nan 8.360 nan 0.000 0.452 203 H N 1.369 120.431 119.070 -0.014 0.000 3.086 203 H HA 0.019 4.575 4.556 -0.000 0.000 0.353 203 H C 0.531 175.880 175.328 0.034 0.000 1.134 203 H CA -0.347 55.730 56.048 0.048 0.000 1.248 203 H CB 1.292 31.147 29.762 0.156 0.000 1.878 203 H HN 0.453 nan 8.280 nan 0.000 0.527 204 E N 3.119 123.356 120.200 0.061 0.000 2.171 204 E HA -0.102 4.248 4.350 -0.000 0.000 0.197 204 E C 1.261 177.943 176.600 0.136 0.000 0.997 204 E CA 1.741 58.182 56.400 0.068 0.000 0.810 204 E CB -0.073 29.613 29.700 -0.024 0.000 0.738 204 E HN 0.427 nan 8.360 nan 0.000 0.467 205 A N 0.284 123.303 122.820 0.331 0.000 2.275 205 A HA 0.556 4.876 4.320 -0.000 0.000 0.212 205 A C 1.163 178.712 177.584 -0.058 0.000 1.201 205 A CA 0.250 52.250 52.037 -0.062 0.000 0.843 205 A CB -0.065 18.646 19.000 -0.483 0.000 0.873 205 A HN 0.355 nan 8.150 nan 0.000 0.492 206 A N 0.133 123.067 122.820 0.191 0.000 2.252 206 A HA 0.488 4.808 4.320 -0.000 0.000 0.309 206 A C 0.989 178.587 177.584 0.024 0.000 1.285 206 A CA -0.330 51.846 52.037 0.232 0.000 0.900 206 A CB 0.431 19.574 19.000 0.237 0.000 1.157 206 A HN 0.354 nan 8.150 nan 0.000 0.536 207 K N 1.881 122.231 120.400 -0.083 0.000 2.097 207 K HA -0.066 4.254 4.320 -0.000 0.000 0.205 207 K C -0.492 175.773 176.600 -0.558 0.000 1.050 207 K CA 1.058 57.082 56.287 -0.439 0.000 0.938 207 K CB 0.056 32.165 32.500 -0.652 0.000 0.718 207 K HN 0.781 nan 8.250 nan 0.000 0.442 208 W N 0.022 121.366 121.300 0.073 0.000 2.761 208 W HA 0.314 4.974 4.660 -0.000 0.000 0.340 208 W C -0.360 176.088 176.519 -0.118 0.000 1.072 208 W CA -0.955 56.350 57.345 -0.066 0.000 1.215 208 W CB 1.799 31.103 29.460 -0.260 0.000 1.420 208 W HN -0.078 nan 8.180 nan 0.000 0.519 209 S N -0.069 115.660 115.700 0.049 0.000 2.688 209 S HA 0.458 4.928 4.470 -0.000 0.000 0.275 209 S C 0.417 174.952 174.600 -0.108 0.000 1.175 209 S CA -1.070 56.935 58.200 -0.324 0.000 0.818 209 S CB 1.636 64.707 63.200 -0.214 0.000 1.157 209 S HN 0.593 nan 8.310 nan 0.000 0.482 210 R N 0.345 120.740 120.500 -0.174 0.000 2.200 210 R HA -0.054 4.286 4.340 -0.000 0.000 0.234 210 R C 1.554 177.913 176.300 0.098 0.000 1.127 210 R CA 1.834 57.986 56.100 0.088 0.000 0.989 210 R CB -0.786 29.542 30.300 0.047 0.000 0.869 210 R HN 0.887 nan 8.270 nan 0.000 0.459 211 T N -2.842 111.743 114.554 0.051 0.000 3.122 211 T HA 0.181 4.531 4.350 -0.000 0.000 0.250 211 T C 0.594 175.356 174.700 0.104 0.000 1.067 211 T CA -0.423 61.718 62.100 0.068 0.000 0.966 211 T CB 0.357 69.247 68.868 0.036 0.000 1.002 211 T HN -0.132 nan 8.240 nan 0.000 0.542 212 S N 1.953 117.738 115.700 0.143 0.000 2.589 212 S HA 0.153 4.623 4.470 -0.000 0.000 0.265 212 S C 0.225 174.959 174.600 0.223 0.000 1.342 212 S CA -0.556 57.777 58.200 0.221 0.000 1.005 212 S CB 0.504 63.918 63.200 0.356 0.000 0.909 212 S HN 0.498 nan 8.310 nan 0.000 0.555 213 E N 1.037 121.393 120.200 0.259 0.000 2.159 213 E HA 0.026 4.376 4.350 -0.000 0.000 0.272 213 E C 0.812 177.576 176.600 0.273 0.000 1.138 213 E CA -0.184 56.356 56.400 0.233 0.000 0.915 213 E CB 0.695 30.526 29.700 0.219 0.000 1.028 213 E HN 0.411 nan 8.360 nan 0.000 0.423 214 V N 4.822 124.903 119.914 0.278 0.000 2.490 214 V HA -0.232 3.888 4.120 -0.000 0.000 0.250 214 V C 1.724 178.064 176.094 0.409 0.000 1.061 214 V CA 1.576 64.102 62.300 0.378 0.000 1.064 214 V CB 0.112 32.158 31.823 0.373 0.000 0.670 214 V HN 0.572 nan 8.190 nan 0.000 0.461 215 V N 0.017 120.142 119.914 0.352 0.000 2.407 215 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 215 V C 2.419 178.608 176.094 0.158 0.000 1.055 215 V CA 2.413 64.886 62.300 0.289 0.000 1.049 215 V CB -0.673 31.271 31.823 0.202 0.000 0.662 215 V HN 0.648 nan 8.190 nan 0.000 0.455 216 E N -0.665 119.640 120.200 0.174 0.000 2.072 216 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 216 E C 2.125 178.732 176.600 0.011 0.000 0.985 216 E CA 1.295 57.802 56.400 0.178 0.000 0.801 216 E CB -0.229 29.693 29.700 0.371 0.000 0.750 216 E HN 0.537 nan 8.360 nan 0.000 0.452 217 F N 1.998 121.652 119.950 -0.493 0.000 2.069 217 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 217 F C 2.276 177.778 175.800 -0.498 0.000 1.113 217 F CA 1.364 58.681 58.000 -1.139 0.000 1.214 217 F CB -0.926 37.607 39.000 -0.779 0.000 0.978 217 F HN -0.055 nan 8.300 nan 0.000 0.474 218 A N 0.517 123.236 122.820 -0.168 0.000 1.917 218 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 218 A C 2.363 179.837 177.584 -0.185 0.000 1.182 218 A CA 2.124 54.078 52.037 -0.138 0.000 0.633 218 A CB -0.852 18.031 19.000 -0.194 0.000 0.819 218 A HN 0.479 nan 8.150 nan 0.000 0.448 219 R N -1.079 119.216 120.500 -0.341 0.000 2.189 219 R HA -0.094 4.246 4.340 -0.000 0.000 0.223 219 R C 1.191 177.299 176.300 -0.321 0.000 1.092 219 R CA 1.209 56.930 56.100 -0.632 0.000 0.989 219 R CB -0.208 29.771 30.300 -0.536 0.000 0.876 219 R HN 0.518 nan 8.270 nan 0.000 0.457 220 D N -0.324 120.022 120.400 -0.089 0.000 2.340 220 D HA 0.080 4.720 4.640 -0.000 0.000 0.220 220 D C -0.416 175.931 176.300 0.079 0.000 1.039 220 D CA 0.314 54.360 54.000 0.077 0.000 0.866 220 D CB 0.412 41.397 40.800 0.308 0.000 0.913 220 D HN 0.020 nan 8.370 nan 0.000 0.523 221 L N 0.022 121.284 121.223 0.065 0.000 2.334 221 L HA 0.459 4.799 4.340 -0.000 0.000 0.276 221 L C 0.591 177.506 176.870 0.075 0.000 1.014 221 L CA -0.542 54.312 54.840 0.023 0.000 0.815 221 L CB 1.940 43.907 42.059 -0.153 0.000 1.268 221 L HN -0.245 nan 8.230 nan 0.000 0.428 222 N N -1.374 117.236 118.700 -0.150 0.000 2.486 222 N HA 0.114 4.854 4.740 -0.000 0.000 0.242 222 N C -0.684 174.577 175.510 -0.415 0.000 1.083 222 N CA -0.275 52.558 53.050 -0.361 0.000 0.844 222 N CB 0.620 38.754 38.487 -0.588 0.000 1.527 222 N HN 0.570 nan 8.380 nan 0.000 0.462 223 H N 0.636 119.682 119.070 -0.040 0.000 2.457 223 H HA 0.392 4.948 4.556 -0.000 0.000 0.335 223 H C -2.468 172.788 175.328 -0.120 0.000 1.115 223 H CA -2.082 53.931 56.048 -0.060 0.000 1.219 223 H CB 1.678 31.423 29.762 -0.029 0.000 1.471 223 H HN 0.049 nan 8.280 nan 0.000 0.491 224 P HA 0.027 nan 4.420 nan 0.000 0.281 224 P C -0.072 177.158 177.300 -0.117 0.000 1.249 224 P CA -0.655 62.402 63.100 -0.071 0.000 0.810 224 P CB 1.331 33.024 31.700 -0.012 0.000 1.008 225 L N 1.045 122.141 121.223 -0.212 0.000 3.965 225 L HA -0.250 4.090 4.340 -0.000 0.000 0.499 225 L C -0.856 175.727 176.870 -0.479 0.000 1.194 225 L CA 0.553 55.192 54.840 -0.336 0.000 0.707 225 L CB -2.431 39.439 42.059 -0.314 0.000 1.414 225 L HN 0.399 nan 8.230 nan 0.000 0.802 226 N N 1.154 119.533 118.700 -0.535 0.000 2.407 226 N HA 0.053 4.793 4.740 -0.000 0.000 0.250 226 N C 1.471 176.536 175.510 -0.741 0.000 1.236 226 N CA 0.506 53.100 53.050 -0.759 0.000 0.879 226 N CB 0.234 37.875 38.487 -1.409 0.000 1.088 226 N HN 0.469 nan 8.380 nan 0.000 0.450 227 C N 0.518 119.501 119.300 -0.529 0.000 2.411 227 C HA -0.148 4.312 4.460 -0.000 0.000 0.279 227 C C 2.044 176.955 174.990 -0.132 0.000 1.288 227 C CA 0.319 59.181 59.018 -0.261 0.000 1.764 227 C CB -1.535 26.159 27.740 -0.076 0.000 1.974 227 C HN 0.886 nan 8.230 nan 0.000 0.498 228 F N -0.323 119.597 119.950 -0.051 0.000 2.771 228 F HA 0.156 4.683 4.527 -0.000 0.000 0.299 228 F C 1.899 177.657 175.800 -0.071 0.000 1.177 228 F CA 0.347 58.327 58.000 -0.035 0.000 1.450 228 F CB -1.407 37.560 39.000 -0.055 0.000 1.114 228 F HN 0.111 nan 8.300 nan 0.000 0.587 229 M N -0.456 118.991 119.600 -0.254 0.000 2.279 229 M HA -0.160 4.320 4.480 -0.000 0.000 0.264 229 M C 1.175 177.401 176.300 -0.123 0.000 1.062 229 M CA 1.280 56.481 55.300 -0.165 0.000 1.099 229 M CB -0.610 31.827 32.600 -0.271 0.000 1.394 229 M HN 0.424 nan 8.290 nan 0.000 0.426 230 C N -1.590 117.583 119.300 -0.212 0.000 3.392 230 C HA 0.221 4.681 4.460 -0.000 0.000 0.301 230 C C 0.327 175.112 174.990 -0.343 0.000 1.354 230 C CA -0.455 58.371 59.018 -0.320 0.000 1.732 230 C CB -0.460 26.968 27.740 -0.521 0.000 2.269 230 C HN 0.332 nan 8.230 nan 0.000 0.673 231 H N 1.018 120.106 119.070 0.029 0.000 2.744 231 H HA 0.271 4.827 4.556 -0.000 0.000 0.339 231 H C -1.392 173.966 175.328 0.050 0.000 1.004 231 H CA -0.490 55.570 56.048 0.021 0.000 1.257 231 H CB 1.110 30.870 29.762 -0.005 0.000 1.552 231 H HN 0.221 nan 8.280 nan 0.000 0.522 232 D N 4.651 125.138 120.400 0.144 0.000 2.425 232 D HA 0.028 4.668 4.640 -0.000 0.000 0.247 232 D C -1.185 175.146 176.300 0.051 0.000 1.147 232 D CA -1.230 52.832 54.000 0.104 0.000 0.879 232 D CB 1.410 42.282 40.800 0.120 0.000 1.179 232 D HN 0.207 nan 8.370 nan 0.000 0.456 233 P HA -0.117 nan 4.420 nan 0.000 0.222 233 P C 0.376 177.672 177.300 -0.006 0.000 1.153 233 P CA 1.311 64.362 63.100 -0.081 0.000 0.798 233 P CB 0.184 31.683 31.700 -0.336 0.000 0.796 234 H N 0.171 119.382 119.070 0.234 0.000 2.355 234 H HA 0.007 4.563 4.556 -0.000 0.000 0.303 234 H C 2.268 177.711 175.328 0.193 0.000 1.061 234 H CA 1.841 58.069 56.048 0.300 0.000 1.368 234 H CB -0.295 29.628 29.762 0.270 0.000 1.412 234 H HN 0.188 nan 8.280 nan 0.000 0.523 235 S N -0.193 115.620 115.700 0.188 0.000 2.503 235 S HA 0.326 4.796 4.470 -0.000 0.000 0.217 235 S C 1.733 176.273 174.600 -0.100 0.000 0.999 235 S CA 0.228 58.463 58.200 0.058 0.000 0.914 235 S CB 0.508 63.752 63.200 0.073 0.000 0.782 235 S HN 0.590 nan 8.310 nan 0.000 0.520 236 A N 0.185 122.888 122.820 -0.195 0.000 3.153 236 A HA -0.053 4.267 4.320 -0.000 0.000 0.265 236 A C 0.977 178.479 177.584 -0.137 0.000 1.212 236 A CA 1.001 52.807 52.037 -0.385 0.000 1.018 236 A CB -2.509 16.000 19.000 -0.818 0.000 1.130 236 A HN 1.364 nan 8.150 nan 0.000 0.873 237 G N -0.502 108.280 108.800 -0.029 0.000 2.562 237 G HA2 0.552 4.512 3.960 -0.000 0.000 0.275 237 G HA3 0.552 4.512 3.960 -0.000 0.000 0.275 237 G C -2.044 172.909 174.900 0.089 0.000 1.196 237 G CA -0.746 44.371 45.100 0.029 0.000 0.908 237 G HN 0.382 nan 8.290 nan 0.000 0.524 238 P HA 0.266 nan 4.420 nan 0.000 0.276 238 P C -0.532 176.807 177.300 0.066 0.000 1.230 238 P CA -0.045 63.111 63.100 0.093 0.000 0.776 238 P CB 1.208 32.958 31.700 0.084 0.000 0.888 239 R N 0.900 121.424 120.500 0.039 0.000 2.747 239 R HA 0.728 5.068 4.340 -0.000 0.000 0.272 239 R C -1.287 175.022 176.300 0.016 0.000 1.032 239 R CA -1.046 55.080 56.100 0.044 0.000 0.896 239 R CB 0.903 31.247 30.300 0.073 0.000 1.253 239 R HN 0.241 nan 8.270 nan 0.000 0.461 240 V N -1.030 118.900 119.914 0.026 0.000 2.960 240 V HA 0.688 4.808 4.120 -0.000 0.000 0.315 240 V C 0.372 176.486 176.094 0.032 0.000 1.087 240 V CA -0.097 62.209 62.300 0.010 0.000 0.982 240 V CB 1.850 33.672 31.823 -0.002 0.000 1.039 240 V HN 0.895 nan 8.190 nan 0.000 0.437 241 V N -0.999 118.928 119.914 0.022 0.000 3.548 241 V HA 0.488 4.608 4.120 -0.000 0.000 0.279 241 V C 0.909 177.012 176.094 0.015 0.000 1.446 241 V CA 0.315 62.644 62.300 0.047 0.000 1.023 241 V CB 0.014 31.881 31.823 0.074 0.000 0.820 241 V HN 0.943 nan 8.190 nan 0.000 0.438 242 R N 3.298 123.776 120.500 -0.037 0.000 2.351 242 R HA 0.162 4.502 4.340 -0.000 0.000 0.318 242 R C 1.200 177.394 176.300 -0.176 0.000 1.055 242 R CA 0.621 56.662 56.100 -0.099 0.000 0.968 242 R CB 0.243 30.485 30.300 -0.097 0.000 0.974 242 R HN 0.635 nan 8.270 nan 0.000 0.439 243 D N 3.358 123.669 120.400 -0.150 0.000 2.116 243 D HA -0.167 4.473 4.640 -0.000 0.000 0.193 243 D C 1.476 177.474 176.300 -0.502 0.000 0.998 243 D CA 1.914 55.757 54.000 -0.261 0.000 0.836 243 D CB -0.779 39.816 40.800 -0.343 0.000 0.951 243 D HN 0.626 nan 8.370 nan 0.000 0.449 244 G N 0.047 108.424 108.800 -0.705 0.000 2.450 244 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.220 244 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.220 244 G C 1.537 175.684 174.900 -1.255 0.000 1.130 244 G CA 0.988 45.438 45.100 -1.083 0.000 0.760 244 G HN 0.335 nan 8.290 nan 0.000 0.557 245 L N 0.398 120.919 121.223 -1.170 0.000 2.068 245 L HA 0.262 4.602 4.340 -0.000 0.000 0.204 245 L C 2.629 179.236 176.870 -0.439 0.000 1.076 245 L CA 1.098 55.531 54.840 -0.678 0.000 0.753 245 L CB -0.370 41.488 42.059 -0.336 0.000 0.910 245 L HN 0.220 nan 8.230 nan 0.000 0.439 246 I N 0.083 120.492 120.570 -0.267 0.000 2.208 246 I HA -0.329 3.841 4.170 -0.000 0.000 0.245 246 I C 2.445 178.527 176.117 -0.059 0.000 1.097 246 I CA 1.665 62.912 61.300 -0.089 0.000 1.363 246 I CB -0.626 37.424 38.000 0.084 0.000 1.051 246 I HN 0.495 nan 8.210 nan 0.000 0.413 247 N N 1.260 119.907 118.700 -0.088 0.000 2.104 247 N HA -0.216 4.524 4.740 -0.000 0.000 0.190 247 N C 1.935 177.381 175.510 -0.108 0.000 1.024 247 N CA 1.731 54.749 53.050 -0.054 0.000 0.853 247 N CB 0.085 38.470 38.487 -0.169 0.000 1.008 247 N HN 0.371 nan 8.380 nan 0.000 0.424 248 A N 0.807 123.487 122.820 -0.233 0.000 1.855 248 A HA -0.024 4.296 4.320 -0.000 0.000 0.215 248 A C 2.517 179.987 177.584 -0.190 0.000 1.191 248 A CA 1.245 53.155 52.037 -0.211 0.000 0.613 248 A CB -0.781 18.021 19.000 -0.329 0.000 0.829 248 A HN 0.192 nan 8.150 nan 0.000 0.442 249 V N -0.763 118.965 119.914 -0.312 0.000 2.307 249 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 249 V C 2.409 178.488 176.094 -0.025 0.000 1.045 249 V CA 2.049 64.258 62.300 -0.153 0.000 1.024 249 V CB -0.423 31.296 31.823 -0.175 0.000 0.651 249 V HN 0.358 nan 8.190 nan 0.000 0.449 250 V N -0.575 119.318 119.914 -0.035 0.000 2.602 250 V HA -0.022 4.098 4.120 -0.000 0.000 0.235 250 V C 2.131 178.233 176.094 0.013 0.000 1.087 250 V CA 1.280 63.579 62.300 -0.001 0.000 1.117 250 V CB -0.515 31.303 31.823 -0.008 0.000 0.820 250 V HN 0.421 nan 8.190 nan 0.000 0.490 251 D N 0.737 121.150 120.400 0.022 0.000 2.123 251 D HA -0.152 4.488 4.640 -0.000 0.000 0.196 251 D C 2.170 178.494 176.300 0.041 0.000 0.992 251 D CA 1.350 55.374 54.000 0.040 0.000 0.833 251 D CB -0.211 40.637 40.800 0.079 0.000 0.954 251 D HN 0.307 nan 8.370 nan 0.000 0.455 252 R N -0.524 120.001 120.500 0.041 0.000 2.317 252 R HA 0.250 4.590 4.340 -0.000 0.000 0.208 252 R C 1.178 177.519 176.300 0.068 0.000 0.914 252 R CA 0.460 56.596 56.100 0.061 0.000 1.060 252 R CB 0.388 30.735 30.300 0.078 0.000 1.015 252 R HN 0.139 nan 8.270 nan 0.000 0.498 253 G N 1.205 110.038 108.800 0.056 0.000 2.203 253 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.263 253 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.263 253 G C 0.628 175.577 174.900 0.083 0.000 1.012 253 G CA 0.261 45.396 45.100 0.059 0.000 0.749 253 G HN 0.319 nan 8.290 nan 0.000 0.512 254 L N -0.040 121.256 121.223 0.122 0.000 2.313 254 L HA 0.352 4.692 4.340 -0.000 0.000 0.214 254 L C 1.838 178.820 176.870 0.187 0.000 1.119 254 L CA 0.798 55.749 54.840 0.185 0.000 0.809 254 L CB -0.607 41.669 42.059 0.362 0.000 0.933 254 L HN 1.191 nan 8.230 nan 0.000 0.449 255 G N -0.061 108.846 108.800 0.178 0.000 2.758 255 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.686 255 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.686 255 G C 0.615 175.705 174.900 0.317 0.000 1.389 255 G CA -0.130 45.079 45.100 0.182 0.000 0.845 255 G HN 0.209 nan 8.290 nan 0.000 0.572 256 T N -2.695 112.023 114.554 0.274 0.000 2.867 256 T HA 0.020 4.370 4.350 -0.000 0.000 0.268 256 T C 0.887 175.597 174.700 0.016 0.000 1.057 256 T CA 2.043 64.317 62.100 0.290 0.000 1.136 256 T CB 0.022 69.040 68.868 0.250 0.000 0.874 256 T HN 0.870 nan 8.240 nan 0.000 0.466 257 Y N 1.277 121.610 120.300 0.055 0.000 2.646 257 Y HA 0.428 4.978 4.550 -0.000 0.000 0.334 257 Y C -2.193 173.460 175.900 -0.412 0.000 1.004 257 Y CA -2.960 54.965 58.100 -0.290 0.000 1.301 257 Y CB 1.833 40.199 38.460 -0.157 0.000 1.093 257 Y HN 0.023 nan 8.280 nan 0.000 0.530 258 P HA -0.167 nan 4.420 nan 0.000 0.221 258 P C 0.936 177.906 177.300 -0.550 0.000 1.145 258 P CA 1.712 64.501 63.100 -0.517 0.000 0.795 258 P CB 0.253 31.524 31.700 -0.715 0.000 0.775 259 H N -2.389 116.476 119.070 -0.342 0.000 2.539 259 H HA 0.166 4.722 4.556 -0.000 0.000 0.269 259 H C 0.010 175.285 175.328 -0.088 0.000 0.980 259 H CA 0.531 56.482 56.048 -0.160 0.000 1.152 259 H CB 0.324 30.010 29.762 -0.126 0.000 1.407 259 H HN 0.133 nan 8.280 nan 0.000 0.564 260 D N 0.203 120.596 120.400 -0.012 0.000 2.330 260 D HA 0.139 4.779 4.640 -0.000 0.000 0.249 260 D C -2.174 174.127 176.300 0.000 0.000 1.306 260 D CA -1.846 52.151 54.000 -0.005 0.000 0.956 260 D CB 1.747 42.526 40.800 -0.036 0.000 1.261 260 D HN -0.051 nan 8.370 nan 0.000 0.544 261 P HA -0.087 nan 4.420 nan 0.000 0.218 261 P C 1.619 178.927 177.300 0.012 0.000 1.149 261 P CA 0.398 63.504 63.100 0.010 0.000 0.817 261 P CB 0.647 32.350 31.700 0.005 0.000 0.785 262 V N 0.444 120.355 119.914 -0.006 0.000 2.307 262 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 262 V C 2.544 178.624 176.094 -0.024 0.000 1.045 262 V CA 1.793 64.086 62.300 -0.012 0.000 1.024 262 V CB -1.011 30.799 31.823 -0.021 0.000 0.651 262 V HN 0.108 nan 8.190 nan 0.000 0.449 263 K N 0.032 120.390 120.400 -0.068 0.000 2.097 263 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 263 K C 2.362 178.949 176.600 -0.021 0.000 1.049 263 K CA 1.630 57.828 56.287 -0.149 0.000 0.933 263 K CB -0.190 32.075 32.500 -0.392 0.000 0.717 263 K HN 0.410 nan 8.250 nan 0.000 0.442 264 S N 0.723 116.478 115.700 0.091 0.000 2.383 264 S HA -0.163 4.307 4.470 -0.000 0.000 0.229 264 S C 1.693 176.373 174.600 0.132 0.000 1.030 264 S CA 1.535 59.856 58.200 0.201 0.000 1.002 264 S CB -0.200 63.095 63.200 0.158 0.000 0.829 264 S HN 0.355 nan 8.310 nan 0.000 0.467 265 E N 1.364 121.608 120.200 0.074 0.000 2.112 265 E HA -0.046 4.304 4.350 -0.000 0.000 0.190 265 E C 2.077 178.709 176.600 0.054 0.000 0.979 265 E CA 1.093 57.527 56.400 0.056 0.000 0.814 265 E CB -0.144 29.577 29.700 0.035 0.000 0.762 265 E HN 0.523 nan 8.360 nan 0.000 0.460 266 Q N -0.455 119.369 119.800 0.041 0.000 2.172 266 Q HA 0.001 4.341 4.340 -0.000 0.000 0.200 266 Q C 0.485 176.523 176.000 0.063 0.000 0.964 266 Q CA 0.864 56.689 55.803 0.035 0.000 0.855 266 Q CB 0.240 28.983 28.738 0.008 0.000 0.918 266 Q HN 0.228 nan 8.270 nan 0.000 0.444 267 Q N 0.056 119.915 119.800 0.099 0.000 2.628 267 Q HA 0.311 4.651 4.340 -0.000 0.000 0.397 267 Q C -0.472 175.655 176.000 0.212 0.000 0.916 267 Q CA -0.571 55.331 55.803 0.164 0.000 1.071 267 Q CB 1.490 30.353 28.738 0.208 0.000 1.367 267 Q HN 0.168 nan 8.270 nan 0.000 0.404 268 G N 0.611 109.499 108.800 0.145 0.000 2.568 268 G HA2 0.709 4.669 3.960 -0.000 0.000 0.293 268 G HA3 0.709 4.669 3.960 -0.000 0.000 0.293 268 G C -0.911 174.053 174.900 0.106 0.000 1.347 268 G CA -0.486 44.694 45.100 0.133 0.000 1.039 268 G HN 0.299 nan 8.290 nan 0.000 0.523 269 M N 0.027 119.676 119.600 0.081 0.000 2.393 269 M HA 0.489 4.969 4.480 -0.000 0.000 0.299 269 M C -1.313 175.009 176.300 0.037 0.000 1.103 269 M CA -0.446 54.889 55.300 0.058 0.000 0.910 269 M CB 2.263 34.890 32.600 0.046 0.000 1.659 269 M HN 0.414 nan 8.290 nan 0.000 0.445 270 T N 4.051 118.622 114.554 0.028 0.000 2.786 270 T HA 0.313 4.663 4.350 -0.000 0.000 0.283 270 T C -0.730 173.968 174.700 -0.003 0.000 0.992 270 T CA -0.605 61.500 62.100 0.010 0.000 0.954 270 T CB 1.195 70.069 68.868 0.010 0.000 0.934 270 T HN 0.599 nan 8.240 nan 0.000 0.440 271 K N 3.299 123.684 120.400 -0.025 0.000 2.339 271 K HA 0.444 4.764 4.320 -0.000 0.000 0.286 271 K C -0.915 175.637 176.600 -0.080 0.000 1.050 271 K CA -0.379 55.878 56.287 -0.051 0.000 0.956 271 K CB 0.429 32.881 32.500 -0.080 0.000 0.990 271 K HN 0.322 nan 8.250 nan 0.000 0.475 272 V N 4.042 123.906 119.914 -0.083 0.000 2.448 272 V HA 0.256 4.376 4.120 -0.000 0.000 0.295 272 V C -0.347 175.591 176.094 -0.260 0.000 1.025 272 V CA -0.759 61.435 62.300 -0.176 0.000 0.859 272 V CB 1.802 33.543 31.823 -0.137 0.000 0.988 272 V HN 0.844 nan 8.190 nan 0.000 0.431 273 T N 5.405 119.738 114.554 -0.369 0.000 2.855 273 T HA 0.715 5.065 4.350 -0.000 0.000 0.281 273 T C -0.783 173.640 174.700 -0.461 0.000 1.007 273 T CA -0.110 61.813 62.100 -0.294 0.000 1.009 273 T CB 0.905 69.657 68.868 -0.194 0.000 0.983 273 T HN 0.301 nan 8.240 nan 0.000 0.455 274 F N 1.492 121.461 119.950 0.031 0.000 2.508 274 F HA 0.477 5.004 4.527 0.000 0.000 0.325 274 F C 0.698 176.579 175.800 0.135 0.000 1.090 274 F CA -0.994 57.057 58.000 0.085 0.000 0.945 274 F CB 1.740 40.808 39.000 0.113 0.000 1.156 274 F HN 0.320 nan 8.300 nan 0.000 0.463 275 Q N 2.618 122.587 119.800 0.282 0.000 2.257 275 Q HA 0.628 4.968 4.340 -0.000 0.000 0.262 275 Q C -0.767 175.326 176.000 0.155 0.000 0.997 275 Q CA -1.300 54.627 55.803 0.208 0.000 0.873 275 Q CB 2.399 31.209 28.738 0.120 0.000 1.312 275 Q HN 0.401 nan 8.270 nan 0.000 0.450 276 R N -0.031 120.525 120.500 0.094 0.000 2.513 276 R HA 0.348 4.688 4.340 -0.000 0.000 0.301 276 R C 0.113 176.435 176.300 0.036 0.000 0.968 276 R CA -0.338 55.741 56.100 -0.035 0.000 0.872 276 R CB 1.504 31.614 30.300 -0.316 0.000 1.177 276 R HN 1.014 nan 8.270 nan 0.000 0.444 277 G N 2.581 111.388 108.800 0.012 0.000 2.283 277 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.280 277 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.280 277 G C 0.204 175.121 174.900 0.027 0.000 1.029 277 G CA 0.825 45.934 45.100 0.015 0.000 0.840 277 G HN 0.664 nan 8.290 nan 0.000 0.505 278 R N -1.781 118.741 120.500 0.037 0.000 3.758 278 R HA -0.149 4.191 4.340 -0.000 0.000 0.299 278 R C 0.292 176.622 176.300 0.050 0.000 1.182 278 R CA 1.804 57.927 56.100 0.037 0.000 0.809 278 R CB -1.394 28.916 30.300 0.017 0.000 1.249 278 R HN 0.674 nan 8.270 nan 0.000 0.497 279 E N 0.383 120.637 120.200 0.090 0.000 2.238 279 E HA 0.234 4.584 4.350 -0.000 0.000 0.267 279 E C -0.460 176.266 176.600 0.211 0.000 0.887 279 E CA -0.982 55.491 56.400 0.121 0.000 0.769 279 E CB 1.064 30.826 29.700 0.103 0.000 1.187 279 E HN -0.012 nan 8.360 nan 0.000 0.416 280 D N 1.302 121.807 120.400 0.176 0.000 2.525 280 D HA -0.034 4.606 4.640 -0.000 0.000 0.235 280 D C 0.195 176.701 176.300 0.343 0.000 1.137 280 D CA 0.455 54.565 54.000 0.182 0.000 0.868 280 D CB 0.515 41.363 40.800 0.079 0.000 1.180 280 D HN 0.357 nan 8.370 nan 0.000 0.465 281 F N 1.785 121.771 119.950 0.060 0.000 2.268 281 F HA 0.204 4.731 4.527 -0.000 0.000 0.262 281 F C 0.298 176.097 175.800 -0.002 0.000 0.910 281 F CA 0.268 58.209 58.000 -0.098 0.000 1.142 281 F CB 0.401 39.298 39.000 -0.172 0.000 1.229 281 F HN 0.342 nan 8.300 nan 0.000 0.781 282 R N 0.954 121.417 120.500 -0.061 0.000 2.888 282 R HA 0.874 5.214 4.340 -0.000 0.000 0.264 282 R C -1.654 174.698 176.300 0.087 0.000 1.045 282 R CA -0.685 55.352 56.100 -0.103 0.000 0.962 282 R CB 1.752 31.945 30.300 -0.178 0.000 1.210 282 R HN 0.176 nan 8.270 nan 0.000 0.479 283 A N 1.126 124.014 122.820 0.113 0.000 2.587 283 A HA 0.729 5.049 4.320 -0.000 0.000 0.293 283 A C -0.886 176.800 177.584 0.169 0.000 1.087 283 A CA -0.996 51.087 52.037 0.077 0.000 0.692 283 A CB 1.451 20.294 19.000 -0.262 0.000 1.291 283 A HN 0.857 nan 8.150 nan 0.000 0.407 284 I N -1.834 118.836 120.570 0.167 0.000 3.042 284 I HA 0.941 5.111 4.170 -0.000 0.000 0.310 284 I C 0.048 176.216 176.117 0.085 0.000 1.117 284 I CA -1.187 60.203 61.300 0.150 0.000 1.003 284 I CB 2.536 40.663 38.000 0.212 0.000 1.228 284 I HN 0.768 nan 8.210 nan 0.000 0.443 285 G N 4.311 113.152 108.800 0.068 0.000 2.660 285 G HA2 0.578 4.538 3.960 -0.000 0.000 0.305 285 G HA3 0.578 4.538 3.960 -0.000 0.000 0.305 285 G C -0.785 174.147 174.900 0.052 0.000 1.329 285 G CA -0.591 44.535 45.100 0.042 0.000 1.000 285 G HN 0.550 nan 8.290 nan 0.000 0.514 286 L N 2.690 123.946 121.223 0.054 0.000 2.360 286 L HA 0.308 4.648 4.340 -0.000 0.000 0.276 286 L C 0.314 177.218 176.870 0.057 0.000 1.121 286 L CA -0.412 54.464 54.840 0.060 0.000 0.845 286 L CB 0.991 43.086 42.059 0.059 0.000 1.143 286 L HN 0.232 nan 8.230 nan 0.000 0.452 287 L N 2.988 124.249 121.223 0.064 0.000 2.350 287 L HA 0.172 4.512 4.340 -0.000 0.000 0.275 287 L C 0.982 177.896 176.870 0.072 0.000 1.099 287 L CA -0.617 54.268 54.840 0.075 0.000 0.808 287 L CB 1.078 43.187 42.059 0.083 0.000 1.149 287 L HN 0.582 nan 8.230 nan 0.000 0.442 288 D N 0.418 120.865 120.400 0.079 0.000 2.182 288 D HA -0.081 4.559 4.640 -0.000 0.000 0.201 288 D C 0.916 177.257 176.300 0.069 0.000 0.986 288 D CA 1.345 55.387 54.000 0.069 0.000 0.847 288 D CB 0.151 40.995 40.800 0.073 0.000 0.942 288 D HN 0.753 nan 8.370 nan 0.000 0.467 289 T N -3.807 110.798 114.554 0.085 0.000 2.838 289 T HA 0.665 5.015 4.350 -0.000 0.000 0.292 289 T C -0.463 174.291 174.700 0.089 0.000 1.113 289 T CA -0.886 61.263 62.100 0.082 0.000 1.008 289 T CB 2.064 70.984 68.868 0.087 0.000 1.259 289 T HN -0.100 nan 8.240 nan 0.000 0.520 290 A N 1.461 124.331 122.820 0.084 0.000 3.037 290 A HA 0.384 4.704 4.320 -0.000 0.000 0.272 290 A C 0.128 177.769 177.584 0.094 0.000 1.723 290 A CA -0.302 51.786 52.037 0.086 0.000 1.413 290 A CB -1.264 17.787 19.000 0.085 0.000 1.112 290 A HN 0.705 nan 8.150 nan 0.000 0.606 291 D N 1.680 122.148 120.400 0.113 0.000 2.456 291 D HA 0.181 4.821 4.640 -0.000 0.000 0.219 291 D C 1.455 177.836 176.300 0.136 0.000 1.126 291 D CA 0.458 54.551 54.000 0.156 0.000 0.890 291 D CB 0.756 41.690 40.800 0.223 0.000 1.025 291 D HN 0.392 nan 8.370 nan 0.000 0.511 292 S N 3.365 119.129 115.700 0.107 0.000 2.442 292 S HA -0.180 4.290 4.470 -0.000 0.000 0.236 292 S C 1.528 176.184 174.600 0.094 0.000 1.007 292 S CA 0.418 58.657 58.200 0.065 0.000 0.965 292 S CB -0.096 63.120 63.200 0.026 0.000 0.773 292 S HN 0.391 nan 8.310 nan 0.000 0.504 293 N N 1.854 120.659 118.700 0.175 0.000 2.104 293 N HA -0.056 4.684 4.740 -0.000 0.000 0.190 293 N C 1.716 177.352 175.510 0.209 0.000 1.024 293 N CA 1.561 54.741 53.050 0.217 0.000 0.853 293 N CB -0.731 38.002 38.487 0.411 0.000 1.008 293 N HN 0.402 nan 8.380 nan 0.000 0.424 294 V N 1.272 121.311 119.914 0.208 0.000 2.488 294 V HA -0.063 4.057 4.120 -0.000 0.000 0.246 294 V C 2.288 178.460 176.094 0.129 0.000 1.046 294 V CA 0.933 63.353 62.300 0.201 0.000 1.053 294 V CB -0.378 31.552 31.823 0.179 0.000 0.679 294 V HN 0.214 nan 8.190 nan 0.000 0.458 295 M N -0.486 119.163 119.600 0.081 0.000 2.108 295 M HA -0.218 4.262 4.480 -0.000 0.000 0.261 295 M C 2.319 178.635 176.300 0.028 0.000 1.066 295 M CA 1.950 57.262 55.300 0.021 0.000 1.107 295 M CB -0.728 31.853 32.600 -0.032 0.000 1.356 295 M HN 0.407 nan 8.290 nan 0.000 0.406 296 C N 0.111 119.437 119.300 0.044 0.000 2.446 296 C HA 0.072 4.532 4.460 -0.000 0.000 0.279 296 C C 2.817 177.881 174.990 0.122 0.000 1.366 296 C CA 0.526 59.576 59.018 0.053 0.000 1.763 296 C CB -1.489 26.232 27.740 -0.031 0.000 1.929 296 C HN 0.609 nan 8.230 nan 0.000 0.509 297 A N 0.341 123.257 122.820 0.160 0.000 2.248 297 A HA -0.149 4.171 4.320 -0.000 0.000 0.210 297 A C 2.066 179.794 177.584 0.240 0.000 1.174 297 A CA 0.844 53.029 52.037 0.247 0.000 0.750 297 A CB -0.532 18.744 19.000 0.460 0.000 0.780 297 A HN 0.763 nan 8.150 nan 0.000 0.478 298 Q N -1.476 118.421 119.800 0.162 0.000 2.226 298 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 298 Q C 1.437 177.535 176.000 0.164 0.000 0.975 298 Q CA 1.595 57.504 55.803 0.176 0.000 0.866 298 Q CB -0.194 28.569 28.738 0.041 0.000 0.915 298 Q HN 0.820 nan 8.270 nan 0.000 0.440 299 C N -2.508 116.796 119.300 0.006 0.000 3.484 299 C HA 0.130 4.590 4.460 -0.000 0.000 0.543 299 C C 0.899 175.674 174.990 -0.357 0.000 1.395 299 C CA -0.522 58.370 59.018 -0.211 0.000 2.412 299 C CB 0.001 27.541 27.740 -0.334 0.000 3.532 299 C HN 0.413 nan 8.230 nan 0.000 0.584 300 H N 2.233 121.204 119.070 -0.165 0.000 2.768 300 H HA 0.412 4.968 4.556 -0.000 0.000 0.228 300 H C -0.089 175.211 175.328 -0.046 0.000 1.812 300 H CA 0.712 56.669 56.048 -0.152 0.000 1.273 300 H CB -0.074 29.609 29.762 -0.132 0.000 1.631 300 H HN 0.429 nan 8.280 nan 0.000 0.526 301 V N -1.266 118.667 119.914 0.031 0.000 3.130 301 V HA 0.395 4.515 4.120 -0.000 0.000 0.310 301 V C -0.140 175.912 176.094 -0.071 0.000 1.158 301 V CA -1.386 60.873 62.300 -0.068 0.000 1.029 301 V CB 2.741 34.444 31.823 -0.200 0.000 1.057 301 V HN 0.157 nan 8.190 nan 0.000 0.436 302 E N 2.011 122.116 120.200 -0.157 0.000 2.354 302 E HA 0.597 4.947 4.350 -0.000 0.000 0.269 302 E C -1.008 175.727 176.600 0.224 0.000 1.036 302 E CA 0.074 56.407 56.400 -0.111 0.000 0.876 302 E CB 0.946 30.411 29.700 -0.392 0.000 1.009 302 E HN 1.072 nan 8.360 nan 0.000 0.416 303 Y N 1.025 121.389 120.300 0.106 0.000 2.656 303 Y HA 0.571 5.121 4.550 -0.000 0.000 0.334 303 Y C -1.377 174.739 175.900 0.362 0.000 1.179 303 Y CA -1.497 56.716 58.100 0.188 0.000 1.050 303 Y CB 0.757 39.167 38.460 -0.083 0.000 1.308 303 Y HN 0.346 nan 8.280 nan 0.000 0.456 304 N N 0.881 119.640 118.700 0.098 0.000 2.430 304 N HA 0.575 5.315 4.740 -0.000 0.000 0.292 304 N C -1.069 174.578 175.510 0.228 0.000 1.051 304 N CA -0.354 52.665 53.050 -0.052 0.000 0.917 304 N CB 1.483 39.831 38.487 -0.231 0.000 1.164 304 N HN 0.945 nan 8.380 nan 0.000 0.484 305 C N 1.085 120.533 119.300 0.247 0.000 3.181 305 C HA 0.534 4.994 4.460 -0.000 0.000 0.216 305 C C -0.814 174.356 174.990 0.299 0.000 1.834 305 C CA -1.098 58.175 59.018 0.425 0.000 1.208 305 C CB -1.303 26.883 27.740 0.742 0.000 2.103 305 C HN 0.792 nan 8.230 nan 0.000 0.579 306 N N -1.011 117.816 118.700 0.212 0.000 3.521 306 N HA 0.419 5.159 4.740 -0.000 0.000 0.228 306 N C -3.620 172.000 175.510 0.182 0.000 1.328 306 N CA -0.859 52.303 53.050 0.186 0.000 0.907 306 N CB 0.837 39.442 38.487 0.197 0.000 1.487 306 N HN 0.134 nan 8.380 nan 0.000 0.503 307 P HA 0.378 nan 4.420 nan 0.000 0.274 307 P C -0.054 177.231 177.300 -0.025 0.000 1.246 307 P CA 0.405 63.526 63.100 0.036 0.000 0.795 307 P CB 1.127 32.785 31.700 -0.070 0.000 1.006 308 G N -0.259 108.376 108.800 -0.274 0.000 2.896 308 G HA2 0.610 4.570 3.960 -0.000 0.000 0.247 308 G HA3 0.610 4.570 3.960 -0.000 0.000 0.247 308 G C -1.938 172.173 174.900 -1.316 0.000 1.187 308 G CA -0.470 44.130 45.100 -0.833 0.000 0.837 308 G HN 0.425 nan 8.290 nan 0.000 0.559 309 Y N -0.242 119.408 120.300 -1.083 0.000 2.588 309 Y HA 0.537 5.087 4.550 -0.000 0.000 0.343 309 Y C 0.049 175.501 175.900 -0.746 0.000 1.065 309 Y CA -0.869 56.692 58.100 -0.899 0.000 1.038 309 Y CB 1.823 39.529 38.460 -1.257 0.000 1.297 309 Y HN 0.323 nan 8.280 nan 0.000 0.467 310 Q N 1.618 121.346 119.800 -0.120 0.000 2.261 310 Q HA 0.288 4.628 4.340 -0.000 0.000 0.252 310 Q C 0.550 176.715 176.000 0.275 0.000 0.915 310 Q CA -0.284 55.555 55.803 0.060 0.000 0.915 310 Q CB 1.550 30.336 28.738 0.080 0.000 1.204 310 Q HN 0.758 nan 8.270 nan 0.000 0.421 311 L N 1.325 122.745 121.223 0.328 0.000 2.083 311 L HA -0.248 4.092 4.340 -0.000 0.000 0.209 311 L C 2.492 179.449 176.870 0.145 0.000 1.083 311 L CA 1.530 56.545 54.840 0.291 0.000 0.752 311 L CB -0.427 41.729 42.059 0.163 0.000 0.899 311 L HN 0.728 nan 8.230 nan 0.000 0.433 312 S N 0.178 115.948 115.700 0.117 0.000 2.356 312 S HA -0.193 4.277 4.470 -0.000 0.000 0.223 312 S C 1.361 176.003 174.600 0.069 0.000 1.032 312 S CA 1.469 59.712 58.200 0.072 0.000 1.005 312 S CB -0.279 62.959 63.200 0.064 0.000 0.867 312 S HN 0.649 nan 8.310 nan 0.000 0.449 313 D N -1.430 119.024 120.400 0.089 0.000 2.525 313 D HA 0.269 4.909 4.640 -0.000 0.000 0.231 313 D C 1.223 177.582 176.300 0.099 0.000 1.216 313 D CA 0.413 54.458 54.000 0.076 0.000 0.813 313 D CB -0.313 40.522 40.800 0.057 0.000 1.108 313 D HN 0.661 nan 8.370 nan 0.000 0.524 314 G N 0.981 109.878 108.800 0.161 0.000 2.168 314 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.263 314 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.263 314 G C 0.462 175.461 174.900 0.164 0.000 0.977 314 G CA 0.672 45.890 45.100 0.197 0.000 0.659 314 G HN 0.917 nan 8.290 nan 0.000 0.533 315 S N -0.692 115.081 115.700 0.121 0.000 2.585 315 S HA 0.563 5.033 4.470 -0.000 0.000 0.273 315 S C 0.479 175.130 174.600 0.085 0.000 1.339 315 S CA 0.039 58.300 58.200 0.102 0.000 1.028 315 S CB 1.675 64.910 63.200 0.059 0.000 0.906 315 S HN 0.838 nan 8.310 nan 0.000 0.528 316 R N 0.932 121.462 120.500 0.050 0.000 2.537 316 R HA 0.334 4.674 4.340 -0.000 0.000 0.280 316 R C -1.205 175.011 176.300 -0.140 0.000 1.058 316 R CA -0.021 56.002 56.100 -0.127 0.000 1.057 316 R CB 0.056 30.304 30.300 -0.087 0.000 0.973 316 R HN 0.560 nan 8.270 nan 0.000 0.438 317 V N 5.361 125.134 119.914 -0.236 0.000 2.313 317 V HA 0.460 4.580 4.120 -0.000 0.000 0.278 317 V C 0.808 176.864 176.094 -0.064 0.000 1.017 317 V CA -0.305 61.948 62.300 -0.079 0.000 0.823 317 V CB 1.094 32.943 31.823 0.043 0.000 1.010 317 V HN 0.977 nan 8.190 nan 0.000 0.443 318 G N 3.327 112.108 108.800 -0.031 0.000 2.535 318 G HA2 0.430 4.390 3.960 -0.000 0.000 0.303 318 G HA3 0.430 4.390 3.960 -0.000 0.000 0.303 318 G C 0.840 175.753 174.900 0.022 0.000 1.237 318 G CA -0.693 44.395 45.100 -0.019 0.000 0.986 318 G HN 0.424 nan 8.290 nan 0.000 0.494 319 M N 0.841 120.460 119.600 0.032 0.000 2.279 319 M HA -0.069 4.411 4.480 -0.000 0.000 0.264 319 M C 2.180 178.504 176.300 0.040 0.000 1.062 319 M CA 1.120 56.454 55.300 0.056 0.000 1.099 319 M CB -0.940 31.704 32.600 0.073 0.000 1.394 319 M HN 0.772 nan 8.290 nan 0.000 0.426 320 D N -0.596 119.818 120.400 0.023 0.000 2.218 320 D HA -0.141 4.499 4.640 -0.000 0.000 0.204 320 D C 0.550 176.852 176.300 0.003 0.000 0.976 320 D CA 0.582 54.587 54.000 0.009 0.000 0.853 320 D CB -0.546 40.258 40.800 0.006 0.000 0.939 320 D HN 0.273 nan 8.370 nan 0.000 0.481 321 D N 0.538 120.944 120.400 0.011 0.000 2.350 321 D HA 0.008 4.648 4.640 -0.000 0.000 0.249 321 D C 1.234 177.532 176.300 -0.005 0.000 1.119 321 D CA -0.357 53.646 54.000 0.006 0.000 0.886 321 D CB 1.546 42.359 40.800 0.021 0.000 1.195 321 D HN -0.161 nan 8.370 nan 0.000 0.437 322 R N 3.527 124.015 120.500 -0.020 0.000 2.139 322 R HA -0.151 4.189 4.340 -0.000 0.000 0.243 322 R C 1.768 178.036 176.300 -0.054 0.000 1.145 322 R CA 1.562 57.642 56.100 -0.033 0.000 0.976 322 R CB -0.103 30.178 30.300 -0.032 0.000 0.866 322 R HN 0.456 nan 8.270 nan 0.000 0.449 323 R N -0.517 119.927 120.500 -0.092 0.000 2.241 323 R HA 0.006 4.346 4.340 -0.000 0.000 0.224 323 R C 1.899 178.064 176.300 -0.224 0.000 1.101 323 R CA 0.940 56.901 56.100 -0.232 0.000 0.995 323 R CB -0.220 29.935 30.300 -0.241 0.000 0.870 323 R HN 0.273 nan 8.270 nan 0.000 0.463 324 A N 1.007 123.793 122.820 -0.057 0.000 2.168 324 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 324 A C 0.678 178.307 177.584 0.075 0.000 1.152 324 A CA 0.597 52.646 52.037 0.020 0.000 0.716 324 A CB -0.070 18.978 19.000 0.079 0.000 0.794 324 A HN 0.146 nan 8.150 nan 0.000 0.465 325 N N -0.086 118.655 118.700 0.068 0.000 2.623 325 N HA 0.351 5.091 4.740 -0.000 0.000 0.256 325 N C -1.667 173.915 175.510 0.120 0.000 1.045 325 N CA -0.388 52.744 53.050 0.136 0.000 0.863 325 N CB 0.324 38.892 38.487 0.135 0.000 1.182 325 N HN 0.349 nan 8.380 nan 0.000 0.523 326 H N 2.422 121.516 119.070 0.039 0.000 2.947 326 H HA 0.450 5.006 4.556 -0.000 0.000 0.354 326 H C -1.530 173.924 175.328 0.211 0.000 1.085 326 H CA -0.508 55.496 56.048 -0.072 0.000 1.253 326 H CB 0.462 29.970 29.762 -0.425 0.000 1.757 326 H HN 0.128 nan 8.280 nan 0.000 0.523 327 F N 5.905 125.519 119.950 -0.559 0.000 2.385 327 F HA 0.227 4.754 4.527 -0.000 0.000 0.360 327 F C 0.394 175.949 175.800 -0.408 0.000 1.122 327 F CA -0.802 57.047 58.000 -0.252 0.000 1.090 327 F CB 0.230 39.167 39.000 -0.105 0.000 1.150 327 F HN 0.628 nan 8.300 nan 0.000 0.472 328 F N 1.376 121.426 119.950 0.167 0.000 2.234 328 F HA -0.148 4.379 4.527 -0.000 0.000 0.299 328 F C 1.413 177.492 175.800 0.465 0.000 1.087 328 F CA 0.937 59.105 58.000 0.280 0.000 1.340 328 F CB -0.192 39.042 39.000 0.390 0.000 1.031 328 F HN 0.581 nan 8.300 nan 0.000 0.500 329 W N 1.002 122.564 121.300 0.436 0.000 5.770 329 W HA -0.227 4.433 4.660 -0.000 0.000 0.389 329 W C -0.601 176.312 176.519 0.656 0.000 1.469 329 W CA 0.032 57.688 57.345 0.518 0.000 0.975 329 W CB -1.062 28.639 29.460 0.401 0.000 2.622 329 W HN 0.036 nan 8.180 nan 0.000 1.500 330 A N 2.075 125.276 122.820 0.635 0.000 2.422 330 A HA 0.532 4.852 4.320 -0.000 0.000 0.302 330 A C -0.046 177.855 177.584 0.528 0.000 1.041 330 A CA -0.148 52.240 52.037 0.585 0.000 0.708 330 A CB 0.873 20.184 19.000 0.520 0.000 1.257 330 A HN 0.340 nan 8.150 nan 0.000 0.414 331 N N 0.948 119.935 118.700 0.478 0.000 2.317 331 N HA 0.117 4.857 4.740 -0.000 0.000 0.245 331 N C 0.906 176.248 175.510 -0.280 0.000 1.294 331 N CA 0.220 53.381 53.050 0.186 0.000 0.924 331 N CB 0.307 38.932 38.487 0.230 0.000 1.186 331 N HN 0.573 nan 8.380 nan 0.000 0.495 332 V N -0.476 118.815 119.914 -1.039 0.000 2.490 332 V HA -0.149 3.971 4.120 -0.000 0.000 0.250 332 V C 1.111 176.843 176.094 -0.603 0.000 1.061 332 V CA 1.650 62.943 62.300 -1.678 0.000 1.064 332 V CB -0.952 29.610 31.823 -2.102 0.000 0.670 332 V HN 0.589 nan 8.190 nan 0.000 0.461 333 F N 0.008 119.932 119.950 -0.044 0.000 2.780 333 F HA 0.164 4.691 4.527 0.000 0.000 0.299 333 F C 1.840 177.741 175.800 0.169 0.000 1.146 333 F CA 0.620 58.706 58.000 0.145 0.000 1.428 333 F CB -0.186 38.866 39.000 0.087 0.000 1.115 333 F HN 0.268 nan 8.300 nan 0.000 0.583 334 D N -2.312 118.263 120.400 0.291 0.000 2.407 334 D HA -0.050 4.590 4.640 -0.000 0.000 0.208 334 D C 1.792 178.251 176.300 0.265 0.000 1.083 334 D CA 0.165 54.335 54.000 0.283 0.000 0.844 334 D CB -0.188 40.799 40.800 0.313 0.000 0.967 334 D HN 0.234 nan 8.370 nan 0.000 0.506 335 Y N 2.271 122.633 120.300 0.105 0.000 2.145 335 Y HA -0.213 4.337 4.550 -0.000 0.000 0.286 335 Y C 2.269 178.251 175.900 0.137 0.000 1.145 335 Y CA 1.824 59.986 58.100 0.103 0.000 1.148 335 Y CB 0.204 38.673 38.460 0.015 0.000 0.981 335 Y HN -0.207 nan 8.280 nan 0.000 0.507 336 K N 0.399 120.933 120.400 0.224 0.000 2.063 336 K HA -0.287 4.033 4.320 -0.000 0.000 0.208 336 K C 2.238 178.878 176.600 0.068 0.000 1.048 336 K CA 1.948 58.349 56.287 0.190 0.000 0.928 336 K CB -0.328 32.331 32.500 0.265 0.000 0.713 336 K HN 0.546 nan 8.250 nan 0.000 0.442 337 E N -0.111 120.154 120.200 0.108 0.000 2.077 337 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 337 E C 1.792 178.453 176.600 0.103 0.000 0.989 337 E CA 1.117 57.578 56.400 0.101 0.000 0.800 337 E CB -0.174 29.603 29.700 0.129 0.000 0.746 337 E HN 0.427 nan 8.360 nan 0.000 0.452 338 A N 1.249 124.139 122.820 0.116 0.000 1.908 338 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 338 A C 2.419 180.132 177.584 0.215 0.000 1.181 338 A CA 2.065 54.222 52.037 0.201 0.000 0.627 338 A CB -0.884 18.305 19.000 0.314 0.000 0.818 338 A HN 0.442 nan 8.150 nan 0.000 0.445 339 A N -0.968 121.860 122.820 0.013 0.000 1.930 339 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 339 A C 2.098 179.789 177.584 0.179 0.000 1.175 339 A CA 1.574 53.703 52.037 0.152 0.000 0.627 339 A CB -0.517 18.464 19.000 -0.032 0.000 0.815 339 A HN 0.657 nan 8.150 nan 0.000 0.443 340 Q N -0.489 119.370 119.800 0.098 0.000 2.124 340 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 340 Q C 1.914 177.969 176.000 0.092 0.000 0.977 340 Q CA 1.589 57.441 55.803 0.080 0.000 0.850 340 Q CB -0.182 28.579 28.738 0.037 0.000 0.901 340 Q HN 0.764 nan 8.270 nan 0.000 0.429 341 E N 0.504 120.765 120.200 0.101 0.000 2.118 341 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 341 E C 1.745 178.386 176.600 0.068 0.000 0.992 341 E CA 1.339 57.793 56.400 0.090 0.000 0.804 341 E CB -0.122 29.645 29.700 0.111 0.000 0.741 341 E HN 0.547 nan 8.360 nan 0.000 0.458 342 I N -2.224 118.385 120.570 0.064 0.000 3.883 342 I HA 0.182 4.352 4.170 -0.000 0.000 0.326 342 I C -0.155 176.025 176.117 0.105 0.000 1.283 342 I CA -0.227 61.075 61.300 0.004 0.000 1.161 342 I CB 0.378 38.243 38.000 -0.225 0.000 1.012 342 I HN -0.167 nan 8.210 nan 0.000 0.421 343 D N 1.741 122.230 120.400 0.149 0.000 2.828 343 D HA -0.288 4.352 4.640 -0.000 0.000 0.241 343 D C -0.962 175.500 176.300 0.269 0.000 1.142 343 D CA 0.880 54.983 54.000 0.172 0.000 0.755 343 D CB -1.127 39.742 40.800 0.116 0.000 1.014 343 D HN 0.568 nan 8.370 nan 0.000 0.420 344 F N 1.811 121.852 119.950 0.152 0.000 2.581 344 F HA 0.658 5.185 4.527 -0.000 0.000 0.311 344 F C -1.134 174.865 175.800 0.331 0.000 1.113 344 F CA -0.930 57.172 58.000 0.169 0.000 0.935 344 F CB 1.124 40.208 39.000 0.139 0.000 1.232 344 F HN -0.027 nan 8.300 nan 0.000 0.445 345 F N 1.968 121.739 119.950 -0.299 0.000 2.664 345 F HA 0.617 5.144 4.527 -0.000 0.000 0.317 345 F C -0.510 175.093 175.800 -0.328 0.000 1.108 345 F CA -0.856 57.093 58.000 -0.084 0.000 0.957 345 F CB 1.187 40.226 39.000 0.064 0.000 1.365 345 F HN 0.355 nan 8.300 nan 0.000 0.475 346 D N 0.017 120.540 120.400 0.206 0.000 2.269 346 D HA 0.166 4.806 4.640 -0.000 0.000 0.220 346 D C -0.606 175.974 176.300 0.466 0.000 0.962 346 D CA 1.680 55.832 54.000 0.253 0.000 0.884 346 D CB 0.290 41.375 40.800 0.475 0.000 1.023 346 D HN 0.420 nan 8.370 nan 0.000 0.484 347 F N -1.498 118.664 119.950 0.353 0.000 2.713 347 F HA 0.541 5.068 4.527 0.000 0.000 0.311 347 F C -1.603 174.358 175.800 0.269 0.000 1.141 347 F CA -1.512 56.668 58.000 0.301 0.000 0.939 347 F CB 1.142 40.287 39.000 0.242 0.000 1.325 347 F HN -0.489 nan 8.300 nan 0.000 0.453 348 R N 1.589 122.127 120.500 0.065 0.000 2.294 348 R HA 0.222 4.562 4.340 -0.000 0.000 0.319 348 R C -0.476 175.760 176.300 -0.106 0.000 0.984 348 R CA -0.905 55.103 56.100 -0.153 0.000 0.861 348 R CB 0.804 31.045 30.300 -0.099 0.000 1.104 348 R HN 0.737 nan 8.270 nan 0.000 0.451 349 H N 1.934 120.786 119.070 -0.365 0.000 2.964 349 H HA -0.029 4.527 4.556 -0.000 0.000 0.328 349 H C 0.714 176.027 175.328 -0.025 0.000 1.030 349 H CA 0.572 56.543 56.048 -0.128 0.000 1.445 349 H CB 1.284 30.933 29.762 -0.188 0.000 1.449 349 H HN 0.818 nan 8.280 nan 0.000 0.581 350 A N 3.884 126.533 122.820 -0.285 0.000 2.019 350 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 350 A C 2.154 179.721 177.584 -0.028 0.000 1.164 350 A CA 1.858 53.819 52.037 -0.127 0.000 0.644 350 A CB -0.151 18.757 19.000 -0.153 0.000 0.805 350 A HN 0.764 nan 8.150 nan 0.000 0.449 351 T N -1.335 113.276 114.554 0.096 0.000 3.004 351 T HA -0.021 4.329 4.350 -0.000 0.000 0.243 351 T C 2.167 176.901 174.700 0.057 0.000 1.020 351 T CA 1.555 63.743 62.100 0.147 0.000 1.145 351 T CB -0.308 68.683 68.868 0.205 0.000 0.876 351 T HN 0.711 nan 8.240 nan 0.000 0.449 352 T N -0.626 113.913 114.554 -0.026 0.000 3.043 352 T HA 0.309 4.659 4.350 -0.000 0.000 0.263 352 T C 1.992 176.461 174.700 -0.384 0.000 1.094 352 T CA 1.176 62.840 62.100 -0.727 0.000 1.127 352 T CB -0.381 67.679 68.868 -1.347 0.000 0.905 352 T HN 0.547 nan 8.240 nan 0.000 0.490 353 G N 1.486 110.207 108.800 -0.133 0.000 2.184 353 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.264 353 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.264 353 G C 0.346 175.142 174.900 -0.172 0.000 0.975 353 G CA 0.123 45.159 45.100 -0.106 0.000 0.642 353 G HN 1.284 nan 8.290 nan 0.000 0.536 354 A N 0.241 122.919 122.820 -0.237 0.000 2.477 354 A HA 0.746 5.066 4.320 -0.000 0.000 0.246 354 A C 1.030 178.335 177.584 -0.465 0.000 1.078 354 A CA 0.955 52.809 52.037 -0.304 0.000 0.770 354 A CB 0.400 19.219 19.000 -0.302 0.000 1.011 354 A HN 2.102 nan 8.150 nan 0.000 0.494 355 A N 2.636 125.113 122.820 -0.573 0.000 2.492 355 A HA 0.537 4.857 4.320 -0.000 0.000 0.254 355 A C -0.062 177.149 177.584 -0.622 0.000 1.091 355 A CA 0.243 51.685 52.037 -0.992 0.000 0.768 355 A CB -0.340 17.619 19.000 -1.736 0.000 1.028 355 A HN 0.827 nan 8.150 nan 0.000 0.498 356 L N 4.287 125.152 121.223 -0.596 0.000 2.371 356 L HA 0.546 4.886 4.340 -0.000 0.000 0.262 356 L C -2.378 174.301 176.870 -0.319 0.000 1.006 356 L CA -2.228 52.196 54.840 -0.695 0.000 0.818 356 L CB 2.960 44.230 42.059 -1.314 0.000 1.354 356 L HN 0.491 nan 8.230 nan 0.000 0.415 357 P HA 0.251 nan 4.420 nan 0.000 0.282 357 P C -1.563 175.743 177.300 0.011 0.000 1.259 357 P CA -0.685 62.409 63.100 -0.009 0.000 0.826 357 P CB 1.727 33.403 31.700 -0.039 0.000 1.064 358 K N 2.247 122.671 120.400 0.041 0.000 2.307 358 K HA 0.422 4.742 4.320 -0.000 0.000 0.263 358 K C -0.955 175.435 176.600 -0.351 0.000 0.973 358 K CA -0.540 55.633 56.287 -0.190 0.000 0.846 358 K CB 0.273 32.516 32.500 -0.429 0.000 1.100 358 K HN 0.243 nan 8.250 nan 0.000 0.438 359 L N 3.802 124.759 121.223 -0.444 0.000 2.307 359 L HA 0.461 4.801 4.340 -0.000 0.000 0.282 359 L C -0.477 176.022 176.870 -0.619 0.000 1.051 359 L CA -0.605 53.872 54.840 -0.606 0.000 0.804 359 L CB 1.313 42.969 42.059 -0.672 0.000 1.197 359 L HN 0.703 nan 8.230 nan 0.000 0.431 360 Q N 1.197 120.603 119.800 -0.657 0.000 2.333 360 Q HA 0.303 4.643 4.340 -0.000 0.000 0.268 360 Q C -0.589 174.841 176.000 -0.951 0.000 1.007 360 Q CA -0.653 54.696 55.803 -0.757 0.000 0.810 360 Q CB 0.918 29.404 28.738 -0.420 0.000 1.264 360 Q HN 0.560 nan 8.270 nan 0.000 0.452 361 H N 0.436 119.355 119.070 -0.251 0.000 1.694 361 H HA -0.160 4.396 4.556 -0.000 0.000 0.323 361 H C -2.127 173.004 175.328 -0.329 0.000 0.802 361 H CA 0.082 55.984 56.048 -0.242 0.000 1.074 361 H CB -1.108 28.589 29.762 -0.108 0.000 1.518 361 H HN 0.381 nan 8.280 nan 0.000 0.270 362 P HA 0.099 nan 4.420 nan 0.000 0.211 362 P C 0.141 177.268 177.300 -0.288 0.000 1.833 362 P CA -0.306 62.456 63.100 -0.565 0.000 0.938 362 P CB 0.596 31.468 31.700 -1.380 0.000 1.808 363 E N 1.212 121.359 120.200 -0.088 0.000 2.077 363 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 363 E C 2.251 178.787 176.600 -0.106 0.000 0.989 363 E CA 1.924 58.323 56.400 -0.002 0.000 0.800 363 E CB -0.802 28.917 29.700 0.031 0.000 0.746 363 E HN 0.305 nan 8.360 nan 0.000 0.452 364 A N 0.909 123.635 122.820 -0.157 0.000 1.877 364 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 364 A C 1.926 179.032 177.584 -0.796 0.000 1.186 364 A CA 1.879 53.753 52.037 -0.271 0.000 0.620 364 A CB -0.512 18.434 19.000 -0.090 0.000 0.822 364 A HN 0.173 nan 8.150 nan 0.000 0.443 365 E N -0.770 118.912 120.200 -0.862 0.000 2.285 365 E HA -0.032 4.318 4.350 -0.000 0.000 0.194 365 E C 1.917 178.246 176.600 -0.452 0.000 0.997 365 E CA 1.307 56.932 56.400 -1.292 0.000 0.845 365 E CB -0.328 29.017 29.700 -0.592 0.000 0.782 365 E HN 0.562 nan 8.360 nan 0.000 0.491 366 T N 0.503 115.006 114.554 -0.084 0.000 2.812 366 T HA -0.082 4.268 4.350 -0.000 0.000 0.264 366 T C 1.333 176.177 174.700 0.240 0.000 1.042 366 T CA 0.630 62.860 62.100 0.216 0.000 1.140 366 T CB -0.309 68.757 68.868 0.330 0.000 0.870 366 T HN 0.140 nan 8.240 nan 0.000 0.445 367 F N 1.217 121.144 119.950 -0.039 0.000 2.216 367 F HA 0.065 4.592 4.527 0.000 0.000 0.300 367 F C 0.287 176.201 175.800 0.191 0.000 1.085 367 F CA -0.313 57.716 58.000 0.048 0.000 1.326 367 F CB -0.335 38.629 39.000 -0.061 0.000 1.027 367 F HN 0.131 nan 8.300 nan 0.000 0.497 368 W N 1.336 122.674 121.300 0.062 0.000 2.343 368 W HA 0.331 4.991 4.660 -0.000 0.000 0.337 368 W C 1.554 178.020 176.519 -0.087 0.000 1.320 368 W CA 0.533 57.863 57.345 -0.024 0.000 1.290 368 W CB -0.931 28.548 29.460 0.033 0.000 1.206 368 W HN 0.396 nan 8.180 nan 0.000 0.565 369 G N 1.606 110.469 108.800 0.105 0.000 2.179 369 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.260 369 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.260 369 G C 0.546 175.430 174.900 -0.026 0.000 0.977 369 G CA 0.444 45.555 45.100 0.018 0.000 0.641 369 G HN 0.817 nan 8.290 nan 0.000 0.533 370 S N -0.637 115.018 115.700 -0.076 0.000 2.600 370 S HA 0.529 4.999 4.470 -0.000 0.000 0.265 370 S C 1.594 176.127 174.600 -0.112 0.000 1.325 370 S CA 0.088 58.246 58.200 -0.071 0.000 1.002 370 S CB 1.879 65.059 63.200 -0.032 0.000 0.921 370 S HN 0.779 nan 8.310 nan 0.000 0.554 371 V N 1.714 121.570 119.914 -0.097 0.000 2.343 371 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 371 V C 2.375 178.386 176.094 -0.138 0.000 1.051 371 V CA 2.362 64.578 62.300 -0.141 0.000 1.036 371 V CB -1.456 30.249 31.823 -0.197 0.000 0.654 371 V HN 0.960 nan 8.190 nan 0.000 0.451 372 H N -0.657 118.422 119.070 0.015 0.000 2.357 372 H HA -0.129 4.427 4.556 0.000 0.000 0.301 372 H C 2.473 177.796 175.328 -0.009 0.000 1.082 372 H CA 1.575 57.690 56.048 0.111 0.000 1.342 372 H CB 0.048 30.028 29.762 0.363 0.000 1.389 372 H HN 0.318 nan 8.280 nan 0.000 0.511 373 E N 1.191 121.207 120.200 -0.308 0.000 2.077 373 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 373 E C 1.955 178.481 176.600 -0.124 0.000 0.989 373 E CA 0.835 56.967 56.400 -0.446 0.000 0.800 373 E CB 0.140 29.276 29.700 -0.941 0.000 0.746 373 E HN 0.343 nan 8.360 nan 0.000 0.452 374 R N 0.582 121.014 120.500 -0.113 0.000 2.193 374 R HA -0.007 4.333 4.340 -0.000 0.000 0.229 374 R C 1.453 177.729 176.300 -0.041 0.000 1.110 374 R CA 0.493 56.552 56.100 -0.068 0.000 0.988 374 R CB -0.502 29.759 30.300 -0.064 0.000 0.871 374 R HN 0.244 nan 8.270 nan 0.000 0.458 375 N N 0.017 118.709 118.700 -0.013 0.000 2.314 375 N HA 0.015 4.755 4.740 -0.000 0.000 0.200 375 N C 0.563 176.099 175.510 0.044 0.000 1.135 375 N CA 0.744 53.800 53.050 0.011 0.000 0.835 375 N CB 0.893 39.390 38.487 0.017 0.000 0.989 375 N HN 0.348 nan 8.380 nan 0.000 0.478 376 G N 0.445 109.274 108.800 0.050 0.000 2.143 376 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.249 376 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.249 376 G C 0.164 175.153 174.900 0.148 0.000 0.981 376 G CA 0.135 45.278 45.100 0.070 0.000 0.665 376 G HN 0.170 nan 8.290 nan 0.000 0.528 377 V N 0.386 120.436 119.914 0.226 0.000 2.775 377 V HA 0.697 4.817 4.120 -0.000 0.000 0.299 377 V C 0.832 177.182 176.094 0.426 0.000 1.062 377 V CA 0.395 62.875 62.300 0.299 0.000 1.063 377 V CB 1.405 33.452 31.823 0.373 0.000 0.994 377 V HN 1.319 nan 8.190 nan 0.000 0.483 378 A N 2.136 125.124 122.820 0.280 0.000 2.479 378 A HA 0.488 4.808 4.320 -0.000 0.000 0.296 378 A C 0.939 178.523 177.584 -0.000 0.000 1.121 378 A CA -0.192 51.984 52.037 0.231 0.000 0.743 378 A CB 0.976 20.099 19.000 0.205 0.000 1.323 378 A HN 0.867 nan 8.150 nan 0.000 0.415 379 C N 0.140 119.367 119.300 -0.123 0.000 2.385 379 C HA -0.115 4.345 4.460 -0.000 0.000 0.275 379 C C 3.013 177.985 174.990 -0.031 0.000 1.207 379 C CA 1.723 60.652 59.018 -0.149 0.000 1.760 379 C CB -1.695 25.961 27.740 -0.141 0.000 2.051 379 C HN 0.944 nan 8.230 nan 0.000 0.467 380 A N 0.647 123.458 122.820 -0.015 0.000 2.019 380 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 380 A C 1.779 179.347 177.584 -0.027 0.000 1.164 380 A CA 1.889 53.917 52.037 -0.015 0.000 0.644 380 A CB -0.507 18.480 19.000 -0.021 0.000 0.805 380 A HN 0.603 nan 8.150 nan 0.000 0.449 381 D N -0.547 119.840 120.400 -0.021 0.000 2.178 381 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 381 D C 1.709 177.964 176.300 -0.076 0.000 0.980 381 D CA 1.502 55.488 54.000 -0.024 0.000 0.842 381 D CB -0.234 40.577 40.800 0.017 0.000 0.948 381 D HN 0.501 nan 8.370 nan 0.000 0.472 382 C N -0.774 118.432 119.300 -0.157 0.000 2.791 382 C HA 0.124 4.584 4.460 -0.000 0.000 0.288 382 C C 1.923 176.669 174.990 -0.406 0.000 1.271 382 C CA -0.148 58.681 59.018 -0.314 0.000 1.726 382 C CB -0.284 27.175 27.740 -0.467 0.000 2.145 382 C HN 0.405 nan 8.230 nan 0.000 0.572 383 H N -1.441 117.573 119.070 -0.094 0.000 3.046 383 H HA 0.344 4.900 4.556 -0.000 0.000 0.262 383 H C 0.580 175.853 175.328 -0.093 0.000 1.044 383 H CA 0.513 56.498 56.048 -0.105 0.000 1.209 383 H CB 0.408 30.090 29.762 -0.133 0.000 1.507 383 H HN 0.385 nan 8.280 nan 0.000 0.507 384 M N 2.025 121.630 119.600 0.008 0.000 3.568 384 M HA 0.222 4.702 4.480 -0.000 0.000 0.386 384 M C -2.812 173.458 176.300 -0.049 0.000 1.765 384 M CA -1.356 53.923 55.300 -0.035 0.000 0.568 384 M CB 2.469 35.017 32.600 -0.086 0.000 1.428 384 M HN -0.130 nan 8.290 nan 0.000 0.493 385 P HA 0.175 nan 4.420 nan 0.000 0.276 385 P C -0.660 176.597 177.300 -0.072 0.000 1.252 385 P CA -0.309 62.759 63.100 -0.053 0.000 0.802 385 P CB 0.701 32.369 31.700 -0.053 0.000 1.035 386 K N 0.436 120.795 120.400 -0.069 0.000 2.485 386 K HA 0.145 4.465 4.320 -0.000 0.000 0.277 386 K C 0.068 176.574 176.600 -0.157 0.000 0.990 386 K CA -0.175 56.049 56.287 -0.106 0.000 0.994 386 K CB -0.109 32.352 32.500 -0.066 0.000 0.906 386 K HN 0.225 nan 8.250 nan 0.000 0.488 387 V N 2.570 122.312 119.914 -0.288 0.000 2.775 387 V HA -0.015 4.105 4.120 -0.000 0.000 0.299 387 V C 0.469 176.469 176.094 -0.158 0.000 1.062 387 V CA -0.321 61.811 62.300 -0.281 0.000 1.063 387 V CB 1.147 32.650 31.823 -0.532 0.000 0.994 387 V HN 0.642 nan 8.190 nan 0.000 0.483 388 Q N 4.125 123.869 119.800 -0.094 0.000 2.325 388 Q HA 0.633 4.973 4.340 -0.000 0.000 0.262 388 Q C -1.478 174.505 176.000 -0.029 0.000 0.968 388 Q CA -0.061 55.713 55.803 -0.048 0.000 0.877 388 Q CB 1.200 29.920 28.738 -0.030 0.000 1.253 388 Q HN 0.683 nan 8.270 nan 0.000 0.448 389 L N 3.963 125.179 121.223 -0.013 0.000 2.385 389 L HA 0.412 4.752 4.340 -0.000 0.000 0.273 389 L C 0.765 177.643 176.870 0.013 0.000 0.990 389 L CA -0.645 54.201 54.840 0.009 0.000 0.821 389 L CB 2.021 44.097 42.059 0.029 0.000 1.279 389 L HN 0.772 nan 8.230 nan 0.000 0.412 390 E N 1.381 121.590 120.200 0.016 0.000 2.085 390 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 390 E C -0.128 176.484 176.600 0.019 0.000 0.994 390 E CA 1.175 57.584 56.400 0.015 0.000 0.801 390 E CB 0.166 29.875 29.700 0.015 0.000 0.743 390 E HN 0.478 nan 8.360 nan 0.000 0.453 391 N N -0.443 118.271 118.700 0.025 0.000 2.549 391 N HA 0.394 5.134 4.740 -0.000 0.000 0.290 391 N C -0.837 174.696 175.510 0.037 0.000 1.122 391 N CA -0.037 53.029 53.050 0.027 0.000 0.885 391 N CB 1.973 40.474 38.487 0.024 0.000 1.455 391 N HN 0.152 nan 8.380 nan 0.000 0.521 392 G N 0.673 109.499 108.800 0.043 0.000 2.338 392 G HA2 0.100 4.060 3.960 -0.000 0.000 0.295 392 G HA3 0.100 4.060 3.960 -0.000 0.000 0.295 392 G C -1.726 173.216 174.900 0.069 0.000 1.461 392 G CA -0.843 44.294 45.100 0.061 0.000 0.817 392 G HN 0.336 nan 8.290 nan 0.000 0.556 393 K N 0.704 121.159 120.400 0.092 0.000 2.312 393 K HA 0.510 4.830 4.320 -0.000 0.000 0.287 393 K C 0.297 176.992 176.600 0.159 0.000 1.062 393 K CA -0.511 55.839 56.287 0.104 0.000 0.934 393 K CB 1.363 33.921 32.500 0.097 0.000 1.027 393 K HN 0.505 nan 8.250 nan 0.000 0.478 394 V N 6.525 126.504 119.914 0.108 0.000 2.740 394 V HA 0.171 4.291 4.120 -0.000 0.000 0.303 394 V C -0.957 175.237 176.094 0.167 0.000 1.054 394 V CA 0.315 62.658 62.300 0.072 0.000 1.106 394 V CB -0.056 31.776 31.823 0.015 0.000 0.957 394 V HN 0.789 nan 8.190 nan 0.000 0.486 395 Y N 2.028 122.358 120.300 0.050 0.000 2.644 395 Y HA 0.701 5.251 4.550 0.000 0.000 0.338 395 Y C -0.395 175.554 175.900 0.082 0.000 1.119 395 Y CA -1.212 56.927 58.100 0.065 0.000 1.060 395 Y CB 1.210 39.711 38.460 0.069 0.000 1.294 395 Y HN 0.380 nan 8.280 nan 0.000 0.472 396 T N 1.960 116.642 114.554 0.214 0.000 2.743 396 T HA 0.275 4.625 4.350 -0.000 0.000 0.293 396 T C -0.098 174.755 174.700 0.254 0.000 0.945 396 T CA -0.449 61.721 62.100 0.117 0.000 1.030 396 T CB 0.766 69.718 68.868 0.140 0.000 0.912 396 T HN 0.746 nan 8.240 nan 0.000 0.483 397 S N 2.154 117.877 115.700 0.038 0.000 2.546 397 S HA -0.019 4.451 4.470 -0.000 0.000 0.290 397 S C 0.416 175.137 174.600 0.201 0.000 1.290 397 S CA -0.173 58.120 58.200 0.156 0.000 1.069 397 S CB 0.035 63.247 63.200 0.021 0.000 0.846 397 S HN 0.713 nan 8.310 nan 0.000 0.495 398 H N 2.961 122.132 119.070 0.169 0.000 2.507 398 H HA 0.313 4.869 4.556 0.000 0.000 0.294 398 H C 1.631 177.048 175.328 0.148 0.000 1.064 398 H CA 0.288 56.438 56.048 0.170 0.000 1.138 398 H CB 0.229 30.115 29.762 0.207 0.000 1.515 398 H HN 0.527 nan 8.280 nan 0.000 0.547 399 S N 0.461 116.246 115.700 0.141 0.000 2.474 399 S HA -0.121 4.349 4.470 -0.000 0.000 0.235 399 S C 0.451 175.039 174.600 -0.019 0.000 0.997 399 S CA 0.173 58.393 58.200 0.034 0.000 0.949 399 S CB -0.099 63.092 63.200 -0.015 0.000 0.766 399 S HN 0.577 nan 8.310 nan 0.000 0.517 400 Q N 0.818 120.622 119.800 0.006 0.000 2.423 400 Q HA -0.220 4.120 4.340 -0.000 0.000 0.368 400 Q C -0.083 175.802 176.000 -0.191 0.000 1.371 400 Q CA 1.115 56.876 55.803 -0.070 0.000 1.106 400 Q CB -1.390 27.337 28.738 -0.019 0.000 1.263 400 Q HN 0.784 nan 8.270 nan 0.000 0.325 401 R N -2.357 118.093 120.500 -0.083 0.000 2.781 401 R HA 0.710 5.050 4.340 -0.000 0.000 0.268 401 R C -0.648 175.695 176.300 0.071 0.000 1.047 401 R CA -0.790 55.258 56.100 -0.087 0.000 0.925 401 R CB 0.864 31.103 30.300 -0.101 0.000 1.246 401 R HN 0.059 nan 8.270 nan 0.000 0.456 402 T N 1.335 115.897 114.554 0.013 0.000 2.946 402 T HA 0.089 4.439 4.350 -0.000 0.000 0.311 402 T C -1.299 173.379 174.700 -0.037 0.000 1.063 402 T CA -1.239 60.879 62.100 0.029 0.000 1.139 402 T CB 0.542 69.378 68.868 -0.054 0.000 0.994 402 T HN 0.503 nan 8.240 nan 0.000 0.547 403 P HA -0.059 nan 4.420 nan 0.000 0.228 403 P C 1.220 178.447 177.300 -0.122 0.000 1.151 403 P CA 0.779 63.781 63.100 -0.163 0.000 0.770 403 P CB 0.106 31.650 31.700 -0.259 0.000 0.786 404 R N 0.124 120.552 120.500 -0.119 0.000 2.159 404 R HA -0.125 4.215 4.340 -0.000 0.000 0.237 404 R C 1.363 177.619 176.300 -0.073 0.000 1.131 404 R CA 1.431 57.472 56.100 -0.098 0.000 0.982 404 R CB -0.586 29.656 30.300 -0.096 0.000 0.868 404 R HN 0.210 nan 8.270 nan 0.000 0.453 405 D N 0.071 120.430 120.400 -0.069 0.000 2.347 405 D HA -0.060 4.580 4.640 -0.000 0.000 0.215 405 D C 1.066 177.339 176.300 -0.045 0.000 0.976 405 D CA 0.971 54.938 54.000 -0.054 0.000 0.884 405 D CB 0.280 41.046 40.800 -0.056 0.000 0.915 405 D HN 0.313 nan 8.370 nan 0.000 0.526 406 M N -2.159 117.411 119.600 -0.050 0.000 4.568 406 M HA 0.263 4.743 4.480 -0.000 0.000 0.533 406 M C 0.008 176.285 176.300 -0.039 0.000 2.143 406 M CA -0.244 55.032 55.300 -0.041 0.000 0.483 406 M CB 0.832 33.406 32.600 -0.043 0.000 1.438 406 M HN -0.302 nan 8.290 nan 0.000 0.591 407 M N 0.745 120.325 119.600 -0.034 0.000 2.213 407 M HA 0.051 4.531 4.480 -0.000 0.000 0.263 407 M C 1.984 178.290 176.300 0.010 0.000 1.062 407 M CA 2.015 57.302 55.300 -0.021 0.000 1.105 407 M CB -1.119 31.469 32.600 -0.021 0.000 1.385 407 M HN 0.758 nan 8.290 nan 0.000 0.417 408 G N 0.041 108.845 108.800 0.008 0.000 2.459 408 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 408 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 408 G C 1.546 176.457 174.900 0.018 0.000 1.183 408 G CA 0.590 45.702 45.100 0.020 0.000 0.776 408 G HN 0.387 nan 8.290 nan 0.000 0.552 409 Q N 0.114 119.912 119.800 -0.003 0.000 2.163 409 Q HA 0.171 4.511 4.340 -0.000 0.000 0.198 409 Q C 2.871 178.865 176.000 -0.009 0.000 0.954 409 Q CA 1.204 57.000 55.803 -0.011 0.000 0.851 409 Q CB -0.428 28.290 28.738 -0.033 0.000 0.928 409 Q HN 0.451 nan 8.270 nan 0.000 0.459 410 A N -0.856 121.951 122.820 -0.021 0.000 2.016 410 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 410 A C 1.950 179.540 177.584 0.011 0.000 1.162 410 A CA 1.179 53.192 52.037 -0.040 0.000 0.662 410 A CB -0.010 18.933 19.000 -0.096 0.000 0.812 410 A HN 0.429 nan 8.150 nan 0.000 0.450 411 C N -2.628 116.712 119.300 0.067 0.000 3.123 411 C HA 0.311 4.771 4.460 -0.000 0.000 0.536 411 C C 2.110 177.251 174.990 0.252 0.000 1.281 411 C CA 0.099 59.232 59.018 0.191 0.000 2.595 411 C CB -0.822 27.029 27.740 0.185 0.000 3.423 411 C HN 0.483 nan 8.230 nan 0.000 0.496 412 L N 1.999 123.327 121.223 0.175 0.000 2.313 412 L HA 0.014 4.354 4.340 -0.000 0.000 0.214 412 L C 1.963 178.908 176.870 0.127 0.000 1.119 412 L CA 0.869 55.822 54.840 0.189 0.000 0.809 412 L CB -0.624 41.523 42.059 0.145 0.000 0.933 412 L HN 0.423 nan 8.230 nan 0.000 0.449 413 N N -0.364 118.386 118.700 0.083 0.000 2.166 413 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 413 N C 1.882 177.407 175.510 0.025 0.000 1.019 413 N CA 1.234 54.311 53.050 0.044 0.000 0.856 413 N CB -0.378 38.124 38.487 0.026 0.000 0.993 413 N HN 0.289 nan 8.380 nan 0.000 0.426 414 C N 0.129 119.445 119.300 0.027 0.000 2.505 414 C HA 0.028 4.488 4.460 -0.000 0.000 0.279 414 C C 0.938 175.831 174.990 -0.161 0.000 1.316 414 C CA 0.094 59.068 59.018 -0.073 0.000 1.720 414 C CB -0.900 26.787 27.740 -0.089 0.000 2.050 414 C HN 0.422 nan 8.230 nan 0.000 0.493 415 H N 0.300 119.400 119.070 0.049 0.000 2.588 415 H HA 0.292 4.848 4.556 -0.000 0.000 0.223 415 H C 1.231 176.567 175.328 0.012 0.000 1.804 415 H CA 0.468 56.506 56.048 -0.016 0.000 1.269 415 H CB 0.166 29.973 29.762 0.075 0.000 1.670 415 H HN 0.471 nan 8.280 nan 0.000 0.539 416 A N 1.984 124.830 122.820 0.042 0.000 2.076 416 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 416 A C 2.191 179.804 177.584 0.048 0.000 1.160 416 A CA 1.215 53.280 52.037 0.045 0.000 0.653 416 A CB -0.039 18.964 19.000 0.005 0.000 0.801 416 A HN 0.584 nan 8.150 nan 0.000 0.455 417 E N -1.661 118.532 120.200 -0.011 0.000 2.478 417 E HA -0.111 4.239 4.350 -0.000 0.000 0.198 417 E C -0.337 176.324 176.600 0.102 0.000 1.046 417 E CA 0.104 56.484 56.400 -0.034 0.000 0.870 417 E CB -0.091 29.501 29.700 -0.179 0.000 0.818 417 E HN 0.632 nan 8.360 nan 0.000 0.527 418 W N 2.152 123.495 121.300 0.071 0.000 2.689 418 W HA 0.330 4.990 4.660 -0.000 0.000 0.340 418 W C 0.354 176.893 176.519 0.034 0.000 1.060 418 W CA -1.263 56.110 57.345 0.046 0.000 1.218 418 W CB 1.332 30.821 29.460 0.048 0.000 1.410 418 W HN -0.165 nan 8.180 nan 0.000 0.528 419 T N -2.182 112.514 114.554 0.236 0.000 2.788 419 T HA 0.134 4.484 4.350 -0.000 0.000 0.280 419 T C 1.014 175.748 174.700 0.056 0.000 0.984 419 T CA -0.282 61.882 62.100 0.106 0.000 0.972 419 T CB 1.570 70.462 68.868 0.039 0.000 1.039 419 T HN 0.564 nan 8.240 nan 0.000 0.530 420 E N 0.203 120.417 120.200 0.023 0.000 2.058 420 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 420 E C 1.355 177.912 176.600 -0.072 0.000 0.997 420 E CA 1.679 58.070 56.400 -0.014 0.000 0.801 420 E CB -0.177 29.517 29.700 -0.010 0.000 0.746 420 E HN 0.677 nan 8.360 nan 0.000 0.450 421 D N 0.149 120.506 120.400 -0.072 0.000 2.144 421 D HA -0.160 4.480 4.640 -0.000 0.000 0.199 421 D C 1.991 178.192 176.300 -0.166 0.000 0.984 421 D CA 0.993 54.936 54.000 -0.095 0.000 0.834 421 D CB -0.167 40.582 40.800 -0.084 0.000 0.955 421 D HN 0.345 nan 8.370 nan 0.000 0.465 422 Q N 0.051 119.703 119.800 -0.247 0.000 2.079 422 Q HA -0.022 4.318 4.340 -0.000 0.000 0.200 422 Q C 2.202 177.703 176.000 -0.831 0.000 0.974 422 Q CA 1.251 56.767 55.803 -0.479 0.000 0.840 422 Q CB -0.057 28.390 28.738 -0.484 0.000 0.898 422 Q HN 0.212 nan 8.270 nan 0.000 0.430 423 A N 0.870 123.245 122.820 -0.741 0.000 1.902 423 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 423 A C 2.055 179.395 177.584 -0.406 0.000 1.181 423 A CA 1.031 52.615 52.037 -0.754 0.000 0.623 423 A CB -0.638 18.241 19.000 -0.202 0.000 0.818 423 A HN 0.276 nan 8.150 nan 0.000 0.443 424 L N -2.289 118.796 121.223 -0.230 0.000 2.083 424 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 424 L C 2.575 179.405 176.870 -0.066 0.000 1.083 424 L CA 1.719 56.482 54.840 -0.129 0.000 0.752 424 L CB -0.647 41.365 42.059 -0.077 0.000 0.899 424 L HN 0.562 nan 8.230 nan 0.000 0.433 425 Y N 0.704 120.873 120.300 -0.218 0.000 2.181 425 Y HA -0.283 4.267 4.550 -0.000 0.000 0.288 425 Y C 2.510 178.353 175.900 -0.096 0.000 1.146 425 Y CA 1.326 59.343 58.100 -0.138 0.000 1.164 425 Y CB -0.212 38.153 38.460 -0.160 0.000 0.982 425 Y HN 0.113 nan 8.280 nan 0.000 0.515 426 A N 0.157 122.910 122.820 -0.112 0.000 1.902 426 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 426 A C 2.257 179.886 177.584 0.075 0.000 1.181 426 A CA 1.901 53.886 52.037 -0.086 0.000 0.623 426 A CB -1.086 17.752 19.000 -0.270 0.000 0.818 426 A HN 0.559 nan 8.150 nan 0.000 0.443 427 I N -0.113 120.480 120.570 0.039 0.000 2.179 427 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 427 I C 1.791 177.970 176.117 0.103 0.000 1.088 427 I CA 1.579 62.945 61.300 0.110 0.000 1.357 427 I CB -0.428 37.486 38.000 -0.143 0.000 1.051 427 I HN 0.243 nan 8.210 nan 0.000 0.409 428 D N -0.216 120.187 120.400 0.005 0.000 2.178 428 D HA -0.196 4.444 4.640 -0.000 0.000 0.202 428 D C 1.918 178.213 176.300 -0.008 0.000 0.974 428 D CA 1.077 55.065 54.000 -0.021 0.000 0.841 428 D CB -0.216 40.541 40.800 -0.072 0.000 0.953 428 D HN 0.329 nan 8.370 nan 0.000 0.478 429 Y N 1.473 121.679 120.300 -0.156 0.000 2.128 429 Y HA -0.190 4.360 4.550 -0.000 0.000 0.284 429 Y C 2.216 178.123 175.900 0.012 0.000 1.154 429 Y CA 1.296 59.316 58.100 -0.134 0.000 1.149 429 Y CB -0.331 38.017 38.460 -0.187 0.000 0.976 429 Y HN -0.099 nan 8.280 nan 0.000 0.505 430 I N -0.115 120.651 120.570 0.326 0.000 2.202 430 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 430 I C 2.305 178.558 176.117 0.226 0.000 1.091 430 I CA 1.571 63.048 61.300 0.295 0.000 1.368 430 I CB -0.366 37.801 38.000 0.280 0.000 1.058 430 I HN 0.124 nan 8.210 nan 0.000 0.410 431 K N 0.556 121.063 120.400 0.178 0.000 2.057 431 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 431 K C 1.896 178.559 176.600 0.105 0.000 1.049 431 K CA 1.412 57.776 56.287 0.128 0.000 0.931 431 K CB -0.309 32.234 32.500 0.071 0.000 0.714 431 K HN 0.284 nan 8.250 nan 0.000 0.440 432 N N 0.575 119.310 118.700 0.059 0.000 2.084 432 N HA -0.186 4.554 4.740 -0.000 0.000 0.190 432 N C 1.710 177.254 175.510 0.056 0.000 1.030 432 N CA 1.159 54.229 53.050 0.033 0.000 0.849 432 N CB -0.511 37.940 38.487 -0.061 0.000 1.012 432 N HN 0.228 nan 8.380 nan 0.000 0.423 433 Y N 1.958 122.213 120.300 -0.075 0.000 2.145 433 Y HA -0.169 4.381 4.550 -0.000 0.000 0.286 433 Y C 2.280 178.175 175.900 -0.008 0.000 1.145 433 Y CA 1.692 59.751 58.100 -0.069 0.000 1.148 433 Y CB -0.666 37.752 38.460 -0.071 0.000 0.981 433 Y HN -0.002 nan 8.280 nan 0.000 0.507 434 T N -1.066 113.504 114.554 0.027 0.000 2.746 434 T HA -0.238 4.112 4.350 -0.000 0.000 0.267 434 T C 1.558 176.240 174.700 -0.030 0.000 1.039 434 T CA 1.878 63.946 62.100 -0.054 0.000 1.142 434 T CB -0.634 68.265 68.868 0.051 0.000 0.866 434 T HN 0.551 nan 8.240 nan 0.000 0.444 435 H N 0.941 119.993 119.070 -0.029 0.000 2.387 435 H HA 0.028 4.584 4.556 -0.000 0.000 0.299 435 H C 2.336 177.650 175.328 -0.023 0.000 1.090 435 H CA 1.689 57.739 56.048 0.004 0.000 1.332 435 H CB -0.759 29.012 29.762 0.015 0.000 1.386 435 H HN 0.326 nan 8.280 nan 0.000 0.516 436 G N 0.670 109.395 108.800 -0.124 0.000 2.440 436 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 436 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 436 G C 1.570 176.349 174.900 -0.203 0.000 1.154 436 G CA 0.802 45.792 45.100 -0.184 0.000 0.767 436 G HN 0.283 nan 8.290 nan 0.000 0.552 437 K N 0.316 120.562 120.400 -0.256 0.000 2.155 437 K HA 0.135 4.455 4.320 -0.000 0.000 0.203 437 K C 2.394 178.979 176.600 -0.025 0.000 1.052 437 K CA 0.319 56.499 56.287 -0.178 0.000 0.948 437 K CB -0.406 31.923 32.500 -0.285 0.000 0.728 437 K HN 0.413 nan 8.250 nan 0.000 0.448 438 I N 0.655 121.220 120.570 -0.007 0.000 2.179 438 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 438 I C 2.230 178.408 176.117 0.100 0.000 1.088 438 I CA 1.020 62.415 61.300 0.158 0.000 1.357 438 I CB -0.344 37.762 38.000 0.177 0.000 1.051 438 I HN -0.169 nan 8.210 nan 0.000 0.409 439 V N 0.825 120.679 119.914 -0.100 0.000 2.343 439 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 439 V C 2.398 178.501 176.094 0.015 0.000 1.051 439 V CA 1.831 64.080 62.300 -0.086 0.000 1.036 439 V CB -0.678 31.024 31.823 -0.203 0.000 0.654 439 V HN 0.386 nan 8.190 nan 0.000 0.451 440 K N -0.076 120.344 120.400 0.035 0.000 2.097 440 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 440 K C 2.420 179.194 176.600 0.291 0.000 1.050 440 K CA 1.584 57.968 56.287 0.161 0.000 0.938 440 K CB -0.293 32.295 32.500 0.148 0.000 0.718 440 K HN 0.375 nan 8.250 nan 0.000 0.442 441 S N 1.357 117.179 115.700 0.202 0.000 2.370 441 S HA -0.160 4.310 4.470 -0.000 0.000 0.226 441 S C 1.721 176.330 174.600 0.015 0.000 1.033 441 S CA 1.315 59.633 58.200 0.196 0.000 1.011 441 S CB -0.150 63.217 63.200 0.279 0.000 0.852 441 S HN 0.345 nan 8.310 nan 0.000 0.457 442 E N -0.217 119.920 120.200 -0.104 0.000 2.072 442 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 442 E C 1.854 178.361 176.600 -0.155 0.000 0.985 442 E CA 1.047 57.275 56.400 -0.287 0.000 0.801 442 E CB -0.266 29.315 29.700 -0.198 0.000 0.750 442 E HN 0.644 nan 8.360 nan 0.000 0.452 443 Y N 0.205 120.410 120.300 -0.159 0.000 2.114 443 Y HA -0.288 4.262 4.550 -0.000 0.000 0.282 443 Y C 1.700 177.406 175.900 -0.324 0.000 1.165 443 Y CA 1.821 59.766 58.100 -0.258 0.000 1.148 443 Y CB -0.480 37.786 38.460 -0.324 0.000 0.972 443 Y HN 0.057 nan 8.280 nan 0.000 0.504 444 W N -0.022 121.198 121.300 -0.133 0.000 2.409 444 W HA -0.101 4.559 4.660 -0.000 0.000 0.299 444 W C 2.376 178.760 176.519 -0.226 0.000 1.203 444 W CA 1.147 58.381 57.345 -0.185 0.000 1.298 444 W CB -0.578 28.881 29.460 -0.002 0.000 1.127 444 W HN 0.050 nan 8.180 nan 0.000 0.528 445 L N 0.020 121.226 121.223 -0.028 0.000 2.012 445 L HA -0.279 4.061 4.340 -0.000 0.000 0.210 445 L C 2.644 179.374 176.870 -0.233 0.000 1.073 445 L CA 1.622 56.369 54.840 -0.155 0.000 0.748 445 L CB -1.083 40.811 42.059 -0.275 0.000 0.891 445 L HN 0.026 nan 8.230 nan 0.000 0.431 446 A N -0.370 122.285 122.820 -0.275 0.000 1.902 446 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 446 A C 2.355 179.773 177.584 -0.277 0.000 1.181 446 A CA 2.008 53.890 52.037 -0.259 0.000 0.623 446 A CB -0.454 18.392 19.000 -0.256 0.000 0.818 446 A HN 0.361 nan 8.150 nan 0.000 0.443 447 K N -0.819 119.336 120.400 -0.408 0.000 2.026 447 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 447 K C 2.155 178.654 176.600 -0.169 0.000 1.048 447 K CA 1.682 57.742 56.287 -0.380 0.000 0.929 447 K CB -0.264 31.870 32.500 -0.611 0.000 0.713 447 K HN 0.519 nan 8.250 nan 0.000 0.439 448 M N 0.777 120.315 119.600 -0.104 0.000 2.086 448 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 448 M C 1.946 178.261 176.300 0.025 0.000 1.067 448 M CA 1.678 56.963 55.300 -0.025 0.000 1.116 448 M CB -0.174 32.415 32.600 -0.019 0.000 1.348 448 M HN 0.213 nan 8.290 nan 0.000 0.407 449 I N 0.697 121.208 120.570 -0.099 0.000 2.163 449 I HA -0.349 3.821 4.170 -0.000 0.000 0.243 449 I C 1.660 177.811 176.117 0.056 0.000 1.085 449 I CA 1.486 62.730 61.300 -0.094 0.000 1.347 449 I CB -0.666 37.203 38.000 -0.217 0.000 1.044 449 I HN 0.309 nan 8.210 nan 0.000 0.408 450 D N 0.485 120.879 120.400 -0.010 0.000 2.310 450 D HA -0.081 4.559 4.640 -0.000 0.000 0.212 450 D C 2.193 178.504 176.300 0.018 0.000 0.965 450 D CA 0.948 54.947 54.000 -0.002 0.000 0.879 450 D CB -0.067 40.699 40.800 -0.057 0.000 0.921 450 D HN 0.339 nan 8.370 nan 0.000 0.510 451 L N -0.686 120.548 121.223 0.018 0.000 2.313 451 L HA -0.031 4.309 4.340 -0.000 0.000 0.214 451 L C 1.923 178.768 176.870 -0.041 0.000 1.119 451 L CA 0.120 54.941 54.840 -0.031 0.000 0.809 451 L CB -0.153 41.854 42.059 -0.087 0.000 0.933 451 L HN -0.066 nan 8.230 nan 0.000 0.449 452 F N 0.807 120.724 119.950 -0.055 0.000 2.069 452 F HA -0.136 4.391 4.527 0.000 0.000 0.298 452 F C -0.124 175.665 175.800 -0.018 0.000 1.113 452 F CA 1.778 59.757 58.000 -0.035 0.000 1.214 452 F CB -1.785 37.196 39.000 -0.032 0.000 0.978 452 F HN 0.098 nan 8.300 nan 0.000 0.474 453 P HA -0.125 nan 4.420 nan 0.000 0.217 453 P C 1.946 179.268 177.300 0.036 0.000 1.150 453 P CA 1.348 64.501 63.100 0.088 0.000 0.832 453 P CB -0.055 31.686 31.700 0.068 0.000 0.787 454 V N 0.451 120.372 119.914 0.013 0.000 2.287 454 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 454 V C 2.520 178.595 176.094 -0.031 0.000 1.053 454 V CA 2.349 64.641 62.300 -0.013 0.000 1.027 454 V CB -1.819 29.988 31.823 -0.026 0.000 0.646 454 V HN 0.107 nan 8.190 nan 0.000 0.447 455 A N -0.048 122.734 122.820 -0.064 0.000 1.883 455 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 455 A C 2.475 180.028 177.584 -0.051 0.000 1.186 455 A CA 2.394 54.375 52.037 -0.093 0.000 0.624 455 A CB -0.593 18.285 19.000 -0.204 0.000 0.822 455 A HN 0.426 nan 8.150 nan 0.000 0.444 456 K N -0.626 119.765 120.400 -0.016 0.000 2.032 456 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 456 K C 2.248 178.851 176.600 0.005 0.000 1.048 456 K CA 1.835 58.129 56.287 0.012 0.000 0.927 456 K CB -0.582 31.948 32.500 0.049 0.000 0.712 456 K HN 0.676 nan 8.250 nan 0.000 0.441 457 R N -0.155 120.348 120.500 0.005 0.000 2.189 457 R HA 0.080 4.420 4.340 -0.000 0.000 0.223 457 R C 2.236 178.533 176.300 -0.005 0.000 1.092 457 R CA 1.059 57.161 56.100 0.003 0.000 0.989 457 R CB -0.222 30.081 30.300 0.005 0.000 0.876 457 R HN 0.356 nan 8.270 nan 0.000 0.457 458 A N -0.187 122.625 122.820 -0.014 0.000 2.251 458 A HA 0.239 4.559 4.320 -0.000 0.000 0.209 458 A C 1.352 178.925 177.584 -0.017 0.000 1.187 458 A CA 0.656 52.682 52.037 -0.018 0.000 0.823 458 A CB -0.027 18.957 19.000 -0.027 0.000 0.846 458 A HN 0.392 nan 8.150 nan 0.000 0.486 459 G N -1.044 107.747 108.800 -0.015 0.000 2.136 459 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.242 459 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.242 459 G C 0.197 175.085 174.900 -0.020 0.000 0.989 459 G CA 0.061 45.153 45.100 -0.013 0.000 0.682 459 G HN 0.751 nan 8.290 nan 0.000 0.522 460 V N 1.723 121.618 119.914 -0.032 0.000 2.694 460 V HA 0.364 4.484 4.120 -0.000 0.000 0.306 460 V C 1.575 177.649 176.094 -0.032 0.000 1.054 460 V CA 0.547 62.820 62.300 -0.044 0.000 1.161 460 V CB 1.121 32.898 31.823 -0.078 0.000 0.916 460 V HN 1.147 nan 8.190 nan 0.000 0.490 461 S N 2.945 118.627 115.700 -0.029 0.000 2.584 461 S HA 0.103 4.573 4.470 -0.000 0.000 0.270 461 S C 0.950 175.543 174.600 -0.012 0.000 1.346 461 S CA -0.030 58.160 58.200 -0.017 0.000 1.018 461 S CB 1.017 64.208 63.200 -0.015 0.000 0.899 461 S HN 0.771 nan 8.310 nan 0.000 0.542 462 E N 0.936 121.136 120.200 -0.000 0.000 2.153 462 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 462 E C 1.423 178.028 176.600 0.009 0.000 0.988 462 E CA 1.735 58.142 56.400 0.011 0.000 0.811 462 E CB -0.462 29.245 29.700 0.013 0.000 0.746 462 E HN 0.900 nan 8.360 nan 0.000 0.466 463 D N -1.001 119.399 120.400 0.001 0.000 2.104 463 D HA -0.152 4.488 4.640 -0.000 0.000 0.194 463 D C 1.806 178.104 176.300 -0.004 0.000 0.994 463 D CA 1.722 55.722 54.000 -0.000 0.000 0.830 463 D CB -0.056 40.742 40.800 -0.004 0.000 0.959 463 D HN 0.131 nan 8.370 nan 0.000 0.452 464 V N 0.481 120.384 119.914 -0.018 0.000 2.307 464 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 464 V C 2.682 178.749 176.094 -0.044 0.000 1.045 464 V CA 1.369 63.647 62.300 -0.037 0.000 1.024 464 V CB -0.585 31.203 31.823 -0.058 0.000 0.651 464 V HN 0.342 nan 8.190 nan 0.000 0.449 465 L N 0.306 121.506 121.223 -0.038 0.000 2.043 465 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 465 L C 2.459 179.403 176.870 0.124 0.000 1.075 465 L CA 1.612 56.459 54.840 0.013 0.000 0.752 465 L CB -0.827 41.275 42.059 0.071 0.000 0.891 465 L HN 0.402 nan 8.230 nan 0.000 0.432 466 N N -0.151 118.591 118.700 0.071 0.000 2.188 466 N HA -0.167 4.573 4.740 -0.000 0.000 0.184 466 N C 1.900 177.444 175.510 0.058 0.000 1.018 466 N CA 1.047 54.133 53.050 0.061 0.000 0.858 466 N CB -0.169 38.333 38.487 0.024 0.000 0.989 466 N HN 0.453 nan 8.380 nan 0.000 0.426 467 Q N 0.423 120.247 119.800 0.041 0.000 2.084 467 Q HA -0.013 4.327 4.340 -0.000 0.000 0.202 467 Q C 2.060 178.103 176.000 0.073 0.000 0.978 467 Q CA 1.659 57.486 55.803 0.038 0.000 0.844 467 Q CB -0.145 28.603 28.738 0.015 0.000 0.898 467 Q HN 0.386 nan 8.270 nan 0.000 0.426 468 A N 1.059 123.933 122.820 0.089 0.000 1.930 468 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 468 A C 1.955 179.729 177.584 0.317 0.000 1.175 468 A CA 1.181 53.319 52.037 0.167 0.000 0.627 468 A CB -0.338 18.691 19.000 0.048 0.000 0.815 468 A HN 0.208 nan 8.150 nan 0.000 0.443 469 R N -0.149 120.535 120.500 0.308 0.000 2.096 469 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 469 R C 1.980 178.352 176.300 0.119 0.000 1.127 469 R CA 1.397 57.611 56.100 0.189 0.000 0.968 469 R CB -0.253 30.094 30.300 0.078 0.000 0.861 469 R HN 0.610 nan 8.270 nan 0.000 0.440 470 E N 0.803 121.059 120.200 0.094 0.000 2.072 470 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 470 E C 2.154 178.840 176.600 0.144 0.000 0.985 470 E CA 0.934 57.376 56.400 0.070 0.000 0.801 470 E CB -0.109 29.610 29.700 0.033 0.000 0.750 470 E HN 0.360 nan 8.360 nan 0.000 0.452 471 L N 0.278 121.597 121.223 0.160 0.000 2.083 471 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 471 L C 2.678 179.703 176.870 0.259 0.000 1.083 471 L CA 1.213 56.166 54.840 0.189 0.000 0.752 471 L CB -0.600 41.548 42.059 0.147 0.000 0.899 471 L HN 0.268 nan 8.230 nan 0.000 0.433 472 H N -1.203 117.938 119.070 0.118 0.000 2.353 472 H HA -0.305 4.251 4.556 -0.000 0.000 0.298 472 H C 2.337 177.720 175.328 0.093 0.000 1.103 472 H CA 1.926 58.013 56.048 0.065 0.000 1.293 472 H CB 0.018 29.741 29.762 -0.065 0.000 1.372 472 H HN 0.284 nan 8.280 nan 0.000 0.501 473 Y N 1.860 122.162 120.300 0.004 0.000 2.069 473 Y HA -0.308 4.242 4.550 -0.000 0.000 0.278 473 Y C 2.061 178.002 175.900 0.067 0.000 1.175 473 Y CA 2.254 60.318 58.100 -0.060 0.000 1.134 473 Y CB -0.385 38.021 38.460 -0.089 0.000 0.965 473 Y HN 0.352 nan 8.280 nan 0.000 0.498 474 D N -0.271 120.358 120.400 0.381 0.000 2.123 474 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 474 D C 2.316 178.824 176.300 0.346 0.000 0.976 474 D CA 1.408 55.620 54.000 0.353 0.000 0.831 474 D CB -0.780 40.304 40.800 0.473 0.000 0.974 474 D HN 0.460 nan 8.370 nan 0.000 0.469 475 A N 0.411 123.439 122.820 0.347 0.000 1.902 475 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 475 A C 2.054 179.860 177.584 0.370 0.000 1.181 475 A CA 2.059 54.303 52.037 0.345 0.000 0.623 475 A CB -0.940 18.221 19.000 0.268 0.000 0.818 475 A HN 0.373 nan 8.150 nan 0.000 0.443 476 H N -0.783 118.443 119.070 0.259 0.000 2.293 476 H HA -0.090 4.466 4.556 -0.000 0.000 0.300 476 H C 1.870 177.302 175.328 0.173 0.000 1.082 476 H CA 1.831 58.053 56.048 0.289 0.000 1.308 476 H CB -0.254 29.536 29.762 0.046 0.000 1.375 476 H HN 0.309 nan 8.280 nan 0.000 0.495 477 L N -0.067 121.153 121.223 -0.005 0.000 1.990 477 L HA -0.236 4.104 4.340 -0.000 0.000 0.213 477 L C 1.572 178.304 176.870 -0.230 0.000 1.072 477 L CA 1.790 56.471 54.840 -0.265 0.000 0.755 477 L CB -1.041 40.696 42.059 -0.536 0.000 0.889 477 L HN 0.361 nan 8.230 nan 0.000 0.432 478 Y N -2.333 118.056 120.300 0.148 0.000 2.571 478 Y HA -0.117 4.433 4.550 -0.000 0.000 0.294 478 Y C 1.900 178.017 175.900 0.362 0.000 1.141 478 Y CA 0.882 59.100 58.100 0.198 0.000 1.308 478 Y CB -0.760 37.828 38.460 0.213 0.000 1.002 478 Y HN 0.530 nan 8.280 nan 0.000 0.551 479 W N 0.802 122.245 121.300 0.239 0.000 2.633 479 W HA 0.069 4.729 4.660 -0.000 0.000 0.295 479 W C 2.083 178.692 176.519 0.149 0.000 1.133 479 W CA 0.970 58.451 57.345 0.226 0.000 1.490 479 W CB -0.617 28.909 29.460 0.110 0.000 1.127 479 W HN -0.087 nan 8.180 nan 0.000 0.538 480 E N 0.074 119.814 120.200 -0.766 0.000 2.204 480 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 480 E C 1.988 178.129 176.600 -0.765 0.000 0.990 480 E CA 1.349 56.938 56.400 -1.353 0.000 0.821 480 E CB -0.850 28.157 29.700 -1.155 0.000 0.750 480 E HN 0.459 nan 8.360 nan 0.000 0.477 481 W N 0.101 120.929 121.300 -0.786 0.000 2.308 481 W HA -0.250 4.410 4.660 0.000 0.000 0.301 481 W C 0.903 176.809 176.519 -1.022 0.000 1.220 481 W CA 1.389 58.150 57.345 -0.973 0.000 1.240 481 W CB -0.514 28.220 29.460 -1.211 0.000 1.142 481 W HN 0.254 nan 8.180 nan 0.000 0.521 482 W N -0.223 121.019 121.300 -0.096 0.000 2.640 482 W HA -0.073 4.587 4.660 -0.000 0.000 0.268 482 W C 2.761 179.194 176.519 -0.144 0.000 1.263 482 W CA 1.814 59.128 57.345 -0.051 0.000 1.344 482 W CB -0.841 28.639 29.460 0.033 0.000 1.093 482 W HN -0.221 nan 8.180 nan 0.000 0.603 483 T N -2.416 112.014 114.554 -0.206 0.000 2.985 483 T HA 0.126 4.476 4.350 -0.000 0.000 0.266 483 T C 1.912 176.492 174.700 -0.200 0.000 1.076 483 T CA 1.049 63.042 62.100 -0.179 0.000 1.135 483 T CB -0.531 68.188 68.868 -0.249 0.000 0.890 483 T HN 0.031 nan 8.240 nan 0.000 0.480 484 A N 1.482 124.106 122.820 -0.327 0.000 1.873 484 A HA 0.053 4.373 4.320 -0.000 0.000 0.215 484 A C 1.488 178.939 177.584 -0.221 0.000 1.186 484 A CA 0.591 52.456 52.037 -0.287 0.000 0.616 484 A CB -0.377 18.316 19.000 -0.513 0.000 0.823 484 A HN 0.479 nan 8.150 nan 0.000 0.442 485 E N 0.652 120.672 120.200 -0.300 0.000 2.360 485 E HA 0.049 4.399 4.350 -0.000 0.000 0.269 485 E C -0.191 176.406 176.600 -0.005 0.000 1.022 485 E CA -0.190 56.107 56.400 -0.171 0.000 0.887 485 E CB 0.314 29.871 29.700 -0.237 0.000 0.990 485 E HN 0.412 nan 8.360 nan 0.000 0.426 486 N N 1.363 120.083 118.700 0.034 0.000 2.412 486 N HA -0.076 4.664 4.740 -0.000 0.000 0.184 486 N C 1.226 176.721 175.510 -0.025 0.000 1.101 486 N CA 0.433 53.492 53.050 0.015 0.000 0.881 486 N CB 0.316 38.820 38.487 0.028 0.000 0.969 486 N HN 0.370 nan 8.380 nan 0.000 0.459 487 S N -0.142 115.515 115.700 -0.071 0.000 2.593 487 S HA 0.026 4.496 4.470 -0.000 0.000 0.217 487 S C 0.942 175.561 174.600 0.032 0.000 0.966 487 S CA -0.176 57.917 58.200 -0.178 0.000 0.914 487 S CB -0.154 62.617 63.200 -0.715 0.000 0.776 487 S HN -0.007 nan 8.310 nan 0.000 0.523 488 V N 1.175 121.156 119.914 0.111 0.000 5.479 488 V HA -0.183 3.937 4.120 -0.000 0.000 0.289 488 V C 1.579 177.789 176.094 0.194 0.000 0.595 488 V CA 0.679 63.080 62.300 0.167 0.000 0.649 488 V CB -2.871 29.019 31.823 0.111 0.000 0.390 488 V HN 1.191 nan 8.190 nan 0.000 0.974 489 G N -0.455 108.497 108.800 0.253 0.000 2.241 489 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.244 489 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.244 489 G C 0.402 175.428 174.900 0.210 0.000 0.998 489 G CA 0.588 45.804 45.100 0.193 0.000 0.621 489 G HN 1.218 nan 8.290 nan 0.000 0.519 490 F N 1.449 121.453 119.950 0.090 0.000 2.161 490 F HA -0.001 4.526 4.527 0.000 0.000 0.300 490 F C 2.421 178.381 175.800 0.266 0.000 1.089 490 F CA 2.574 60.646 58.000 0.119 0.000 1.282 490 F CB -0.234 38.788 39.000 0.037 0.000 1.010 490 F HN 0.450 nan 8.300 nan 0.000 0.485 491 H N -1.693 117.592 119.070 0.358 0.000 2.489 491 H HA -0.065 4.491 4.556 -0.000 0.000 0.293 491 H C 0.254 175.763 175.328 0.303 0.000 1.066 491 H CA 0.873 57.154 56.048 0.390 0.000 1.305 491 H CB 0.036 30.054 29.762 0.428 0.000 1.386 491 H HN 0.057 nan 8.280 nan 0.000 0.551 492 N N -1.127 117.772 118.700 0.333 0.000 2.946 492 N HA 0.016 4.756 4.740 -0.000 0.000 0.213 492 N C -2.392 173.182 175.510 0.107 0.000 1.440 492 N CA -1.089 52.095 53.050 0.223 0.000 0.745 492 N CB 0.711 39.389 38.487 0.320 0.000 1.471 492 N HN -0.037 nan 8.380 nan 0.000 0.569 493 P HA -0.029 nan 4.420 nan 0.000 0.217 493 P C 0.601 177.892 177.300 -0.015 0.000 1.151 493 P CA 1.015 64.117 63.100 0.004 0.000 0.828 493 P CB 0.674 32.380 31.700 0.010 0.000 0.788 494 D N -0.294 120.107 120.400 0.001 0.000 2.144 494 D HA -0.152 4.488 4.640 -0.000 0.000 0.200 494 D C 2.163 178.475 176.300 0.019 0.000 0.978 494 D CA 0.919 54.924 54.000 0.008 0.000 0.833 494 D CB -0.381 40.425 40.800 0.009 0.000 0.961 494 D HN 0.302 nan 8.370 nan 0.000 0.470 495 Q N 0.421 120.249 119.800 0.046 0.000 2.079 495 Q HA -0.092 4.248 4.340 -0.000 0.000 0.200 495 Q C 2.067 177.983 176.000 -0.140 0.000 0.974 495 Q CA 1.295 57.171 55.803 0.122 0.000 0.840 495 Q CB 0.022 28.911 28.738 0.253 0.000 0.898 495 Q HN 0.161 nan 8.270 nan 0.000 0.430 496 A N 1.311 123.774 122.820 -0.595 0.000 1.908 496 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 496 A C 2.107 179.278 177.584 -0.688 0.000 1.181 496 A CA 1.634 52.796 52.037 -1.458 0.000 0.627 496 A CB -0.677 17.555 19.000 -1.280 0.000 0.818 496 A HN 0.423 nan 8.150 nan 0.000 0.445 497 R N -0.331 120.008 120.500 -0.269 0.000 2.073 497 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 497 R C 2.256 178.536 176.300 -0.033 0.000 1.134 497 R CA 1.835 57.897 56.100 -0.064 0.000 0.952 497 R CB -0.357 30.015 30.300 0.120 0.000 0.850 497 R HN 0.710 nan 8.270 nan 0.000 0.433 498 E N -0.287 119.925 120.200 0.020 0.000 2.077 498 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 498 E C 1.854 178.554 176.600 0.166 0.000 0.989 498 E CA 1.559 58.014 56.400 0.093 0.000 0.800 498 E CB -0.109 29.674 29.700 0.137 0.000 0.746 498 E HN 0.300 nan 8.360 nan 0.000 0.452 499 S N -0.075 115.749 115.700 0.206 0.000 2.355 499 S HA -0.106 4.364 4.470 -0.000 0.000 0.222 499 S C 2.045 176.750 174.600 0.174 0.000 1.031 499 S CA 0.976 59.307 58.200 0.219 0.000 0.993 499 S CB -0.241 63.149 63.200 0.317 0.000 0.859 499 S HN 0.311 nan 8.310 nan 0.000 0.453 500 L N 0.828 122.063 121.223 0.019 0.000 2.083 500 L HA -0.054 4.286 4.340 -0.000 0.000 0.209 500 L C 2.764 179.679 176.870 0.074 0.000 1.083 500 L CA 1.277 56.163 54.840 0.075 0.000 0.752 500 L CB -0.450 41.578 42.059 -0.052 0.000 0.899 500 L HN 0.384 nan 8.230 nan 0.000 0.433 501 M N -1.048 118.566 119.600 0.022 0.000 2.213 501 M HA -0.176 4.304 4.480 -0.000 0.000 0.263 501 M C 2.254 178.558 176.300 0.007 0.000 1.062 501 M CA 1.736 57.040 55.300 0.007 0.000 1.105 501 M CB -0.668 31.929 32.600 -0.004 0.000 1.385 501 M HN 0.262 nan 8.290 nan 0.000 0.417 502 T N -0.192 114.372 114.554 0.016 0.000 2.708 502 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 502 T C 1.951 176.708 174.700 0.095 0.000 1.037 502 T CA 1.809 63.899 62.100 -0.018 0.000 1.146 502 T CB -0.314 68.430 68.868 -0.205 0.000 0.865 502 T HN 0.403 nan 8.240 nan 0.000 0.435 503 S N 0.886 116.717 115.700 0.218 0.000 2.359 503 S HA -0.124 4.346 4.470 -0.000 0.000 0.223 503 S C 2.047 176.750 174.600 0.171 0.000 1.039 503 S CA 1.314 59.692 58.200 0.297 0.000 1.042 503 S CB -0.589 62.838 63.200 0.379 0.000 0.915 503 S HN 0.467 nan 8.310 nan 0.000 0.439 504 I N 1.114 121.743 120.570 0.098 0.000 2.208 504 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 504 I C 2.618 178.648 176.117 -0.145 0.000 1.097 504 I CA 1.286 62.570 61.300 -0.028 0.000 1.363 504 I CB -0.445 37.509 38.000 -0.077 0.000 1.051 504 I HN 0.282 nan 8.210 nan 0.000 0.413 505 S N 0.515 116.163 115.700 -0.088 0.000 2.368 505 S HA -0.153 4.317 4.470 -0.000 0.000 0.225 505 S C 2.002 176.572 174.600 -0.051 0.000 1.030 505 S CA 1.128 59.267 58.200 -0.101 0.000 0.999 505 S CB -0.148 63.014 63.200 -0.063 0.000 0.844 505 S HN 0.322 nan 8.310 nan 0.000 0.459 506 K N 1.455 121.875 120.400 0.032 0.000 2.025 506 K HA 0.101 4.421 4.320 -0.000 0.000 0.207 506 K C 2.433 179.075 176.600 0.069 0.000 1.049 506 K CA 0.968 57.306 56.287 0.085 0.000 0.933 506 K CB -0.757 31.855 32.500 0.186 0.000 0.714 506 K HN 0.236 nan 8.250 nan 0.000 0.438 507 S N 1.386 117.128 115.700 0.072 0.000 2.368 507 S HA -0.105 4.365 4.470 -0.000 0.000 0.225 507 S C 1.894 176.523 174.600 0.047 0.000 1.030 507 S CA 1.285 59.537 58.200 0.086 0.000 0.999 507 S CB -0.057 63.238 63.200 0.160 0.000 0.844 507 S HN 0.307 nan 8.310 nan 0.000 0.459 508 K N 0.925 121.259 120.400 -0.110 0.000 2.057 508 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 508 K C 2.304 178.853 176.600 -0.086 0.000 1.049 508 K CA 1.326 57.480 56.287 -0.222 0.000 0.931 508 K CB -0.149 32.054 32.500 -0.496 0.000 0.714 508 K HN 0.441 nan 8.250 nan 0.000 0.440 509 E N 0.687 120.852 120.200 -0.058 0.000 2.085 509 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 509 E C 1.892 178.491 176.600 -0.001 0.000 0.994 509 E CA 1.196 57.582 56.400 -0.024 0.000 0.801 509 E CB -0.042 29.654 29.700 -0.007 0.000 0.743 509 E HN 0.320 nan 8.360 nan 0.000 0.453 510 A N 0.443 123.276 122.820 0.022 0.000 1.930 510 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 510 A C 2.407 179.990 177.584 -0.002 0.000 1.175 510 A CA 1.262 53.312 52.037 0.022 0.000 0.627 510 A CB -0.600 18.441 19.000 0.067 0.000 0.815 510 A HN 0.230 nan 8.150 nan 0.000 0.443 511 V N -0.304 119.631 119.914 0.034 0.000 2.287 511 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 511 V C 2.859 178.965 176.094 0.020 0.000 1.053 511 V CA 2.419 64.749 62.300 0.049 0.000 1.027 511 V CB -0.786 31.143 31.823 0.176 0.000 0.646 511 V HN 0.682 nan 8.190 nan 0.000 0.447 512 S N -0.416 115.294 115.700 0.016 0.000 2.356 512 S HA -0.203 4.267 4.470 -0.000 0.000 0.223 512 S C 1.970 176.558 174.600 -0.020 0.000 1.032 512 S CA 2.033 60.234 58.200 0.001 0.000 1.005 512 S CB -0.378 62.817 63.200 -0.008 0.000 0.867 512 S HN 0.423 nan 8.310 nan 0.000 0.449 513 L N 1.493 122.698 121.223 -0.029 0.000 2.012 513 L HA -0.010 4.330 4.340 -0.000 0.000 0.210 513 L C 2.213 179.039 176.870 -0.073 0.000 1.073 513 L CA 1.825 56.639 54.840 -0.045 0.000 0.748 513 L CB -0.603 41.431 42.059 -0.042 0.000 0.891 513 L HN 0.406 nan 8.230 nan 0.000 0.431 514 L N -0.650 120.509 121.223 -0.106 0.000 2.027 514 L HA -0.185 4.155 4.340 -0.000 0.000 0.206 514 L C 2.419 179.228 176.870 -0.101 0.000 1.074 514 L CA 1.166 55.914 54.840 -0.153 0.000 0.745 514 L CB -0.873 41.041 42.059 -0.241 0.000 0.898 514 L HN 0.346 nan 8.230 nan 0.000 0.433 515 N N 0.192 118.853 118.700 -0.065 0.000 2.104 515 N HA -0.201 4.538 4.740 -0.000 0.000 0.190 515 N C 1.476 176.965 175.510 -0.035 0.000 1.024 515 N CA 1.579 54.605 53.050 -0.040 0.000 0.853 515 N CB -0.354 38.126 38.487 -0.012 0.000 1.008 515 N HN 0.289 nan 8.380 nan 0.000 0.424 516 D N 0.513 120.894 120.400 -0.033 0.000 2.123 516 D HA -0.067 4.573 4.640 -0.000 0.000 0.196 516 D C 1.784 178.063 176.300 -0.035 0.000 0.992 516 D CA 1.244 55.227 54.000 -0.028 0.000 0.833 516 D CB -0.327 40.458 40.800 -0.025 0.000 0.954 516 D HN 0.269 nan 8.370 nan 0.000 0.455 517 A N 0.255 123.045 122.820 -0.049 0.000 1.929 517 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 517 A C 2.338 179.892 177.584 -0.050 0.000 1.176 517 A CA 0.672 52.677 52.037 -0.052 0.000 0.628 517 A CB -0.592 18.367 19.000 -0.070 0.000 0.816 517 A HN 0.182 nan 8.150 nan 0.000 0.444 518 I N 0.030 120.566 120.570 -0.058 0.000 2.179 518 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 518 I C 1.843 177.940 176.117 -0.033 0.000 1.088 518 I CA 1.494 62.765 61.300 -0.049 0.000 1.357 518 I CB -0.445 37.523 38.000 -0.053 0.000 1.051 518 I HN 0.209 nan 8.210 nan 0.000 0.409 519 D N 1.076 121.458 120.400 -0.029 0.000 2.117 519 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 519 D C 2.262 178.551 176.300 -0.018 0.000 0.987 519 D CA 1.593 55.581 54.000 -0.020 0.000 0.829 519 D CB -0.212 40.578 40.800 -0.016 0.000 0.961 519 D HN 0.357 nan 8.370 nan 0.000 0.460 520 A N 0.735 123.543 122.820 -0.021 0.000 1.933 520 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 520 A C 2.084 179.658 177.584 -0.018 0.000 1.175 520 A CA 1.166 53.192 52.037 -0.018 0.000 0.628 520 A CB -0.306 18.683 19.000 -0.020 0.000 0.814 520 A HN 0.082 nan 8.150 nan 0.000 0.444 521 Q N -0.331 119.457 119.800 -0.021 0.000 2.119 521 Q HA -0.077 4.263 4.340 -0.000 0.000 0.201 521 Q C 2.312 178.303 176.000 -0.015 0.000 0.972 521 Q CA 1.471 57.263 55.803 -0.019 0.000 0.847 521 Q CB -0.746 27.979 28.738 -0.022 0.000 0.903 521 Q HN 0.483 nan 8.270 nan 0.000 0.433 522 V N 1.298 121.203 119.914 -0.015 0.000 2.407 522 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 522 V C 1.414 177.502 176.094 -0.010 0.000 1.055 522 V CA 1.223 63.516 62.300 -0.012 0.000 1.049 522 V CB -0.878 30.937 31.823 -0.013 0.000 0.662 522 V HN 0.260 nan 8.190 nan 0.000 0.455 523 A N 0.000 122.814 122.820 -0.010 0.000 2.254 523 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 523 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 523 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 523 A HN 0.000 nan 8.150 nan 0.000 0.486