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 1nzz_1_B DATA FIRST_RESID 7 DATA SEQUENCE AVPAPNQQPE VFCNQIFINN EWHDAVSRKT FPTVNPSTGE VICQVAEGDK DATA SEQUENCE EDVDKAVKAA RAAFQLGSPW RRMDASHRGR LLNRLADLIE RDRTYLAALE DATA SEQUENCE TLDNGKPYVI SYLVDLDMVL KCLRYYAGWA DKYHGKTIPI DGDFFSYTRH DATA SEQUENCE EPVGVCGQII PWNFPLLMQA WKLGPALATG NVVVMKVAEQ TPLTALYVAN DATA SEQUENCE LIKEAGFPPG VVNIVPGFGP TAGAAIASHE DVDKVAFTGS TEIGRVIQVA DATA SEQUENCE AGSSNLKRVT LELGGKSPNI IMSDADMDWA VEQAHFALFF NQGQCCCAGS DATA SEQUENCE RTFVQEDIYD EFVERSVARA KSRVVGNPFD SKTEQGPQVD ETQFKKILGY DATA SEQUENCE INTGKQEGAK LLCGGGIAAD RGYFIQPTVF GDVQDGMTIA KEEIFGPVMQ DATA SEQUENCE ILKFKTIEEV VGRANNSTYG LAAAVFTKDL DKANYLSQAL QAGTVWVNCY DATA SEQUENCE DVFGAQSPFG GYKMSGSGRE LGEYGLQAYT EVKTVTVKVP QKNS 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 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.616 177.584 0.053 0.000 1.274 7 A CA 0.000 52.070 52.037 0.055 0.000 0.836 7 A CB 0.000 19.033 19.000 0.054 0.000 0.831 8 V N 2.764 122.675 119.914 -0.005 0.000 2.638 8 V HA 0.566 4.686 4.120 -0.001 0.000 0.306 8 V C -2.328 173.688 176.094 -0.130 0.000 1.052 8 V CA -1.371 60.843 62.300 -0.144 0.000 0.885 8 V CB 1.697 33.452 31.823 -0.113 0.000 0.999 8 V HN 0.870 nan 8.190 nan 0.000 0.424 9 P HA 0.350 nan 4.420 nan 0.000 0.268 9 P C -0.200 177.099 177.300 -0.002 0.000 1.205 9 P CA -0.054 62.989 63.100 -0.094 0.000 0.771 9 P CB 0.575 32.210 31.700 -0.108 0.000 0.858 10 A N 5.104 127.921 122.820 -0.006 0.000 2.545 10 A HA 0.267 4.586 4.320 -0.001 0.000 0.253 10 A C -1.630 175.886 177.584 -0.114 0.000 1.074 10 A CA -0.636 51.378 52.037 -0.038 0.000 0.760 10 A CB -1.003 17.974 19.000 -0.037 0.000 1.005 10 A HN 0.422 nan 8.150 nan 0.000 0.506 11 P HA 0.159 nan 4.420 nan 0.000 0.279 11 P C -0.839 176.276 177.300 -0.308 0.000 1.252 11 P CA -0.696 62.086 63.100 -0.531 0.000 0.811 11 P CB 0.798 31.723 31.700 -1.293 0.000 1.035 12 N N 1.458 120.020 118.700 -0.230 0.000 2.500 12 N HA 0.039 4.779 4.740 -0.001 0.000 0.236 12 N C 0.888 176.141 175.510 -0.429 0.000 1.022 12 N CA -0.010 52.907 53.050 -0.220 0.000 0.935 12 N CB 0.393 38.834 38.487 -0.078 0.000 1.147 12 N HN 0.236 nan 8.380 nan 0.000 0.512 13 Q N 1.142 120.527 119.800 -0.692 0.000 2.443 13 Q HA -0.065 4.274 4.340 -0.001 0.000 0.213 13 Q C -0.247 175.251 176.000 -0.835 0.000 0.982 13 Q CA 0.968 55.947 55.803 -1.373 0.000 0.894 13 Q CB 0.277 28.395 28.738 -1.033 0.000 0.947 13 Q HN 0.566 nan 8.270 nan 0.000 0.480 14 Q N 0.528 120.077 119.800 -0.418 0.000 3.122 14 Q HA 0.263 4.603 4.340 -0.001 0.000 0.282 14 Q C -2.473 173.441 176.000 -0.142 0.000 0.947 14 Q CA -1.465 54.198 55.803 -0.232 0.000 0.812 14 Q CB 1.466 30.094 28.738 -0.184 0.000 1.333 14 Q HN 0.186 nan 8.270 nan 0.000 0.430 15 P HA 0.092 nan 4.420 nan 0.000 0.271 15 P C -0.036 177.220 177.300 -0.073 0.000 1.218 15 P CA -0.238 62.859 63.100 -0.005 0.000 0.780 15 P CB 1.215 32.938 31.700 0.038 0.000 0.901 16 E N 1.844 121.957 120.200 -0.146 0.000 2.338 16 E HA 0.210 4.560 4.350 -0.001 0.000 0.272 16 E C -0.899 175.268 176.600 -0.722 0.000 1.029 16 E CA -0.447 55.710 56.400 -0.405 0.000 0.872 16 E CB 0.425 29.867 29.700 -0.431 0.000 1.015 16 E HN 0.109 nan 8.360 nan 0.000 0.417 17 V N 7.065 126.664 119.914 -0.525 0.000 2.406 17 V HA 0.160 4.280 4.120 -0.001 0.000 0.272 17 V C 0.351 176.175 176.094 -0.451 0.000 1.043 17 V CA 0.042 62.092 62.300 -0.417 0.000 0.915 17 V CB 0.446 32.147 31.823 -0.204 0.000 0.988 17 V HN 0.749 nan 8.190 nan 0.000 0.466 18 F N 1.714 121.692 119.950 0.046 0.000 2.622 18 F HA 0.235 4.762 4.527 -0.001 0.000 0.288 18 F C 0.988 176.693 175.800 -0.159 0.000 1.120 18 F CA -0.119 57.874 58.000 -0.012 0.000 1.423 18 F CB 0.371 39.422 39.000 0.086 0.000 1.127 18 F HN 0.390 nan 8.300 nan 0.000 0.588 19 C N 1.763 121.043 119.300 -0.033 0.000 2.408 19 C HA 0.458 4.918 4.460 -0.001 0.000 0.321 19 C C 0.249 175.045 174.990 -0.323 0.000 1.245 19 C CA -0.801 57.953 59.018 -0.440 0.000 1.523 19 C CB 0.764 28.210 27.740 -0.491 0.000 2.178 19 C HN 0.557 nan 8.230 nan 0.000 0.488 20 N N 0.611 119.080 118.700 -0.385 0.000 2.228 20 N HA 0.049 4.788 4.740 -0.001 0.000 0.237 20 N C -0.521 174.920 175.510 -0.115 0.000 1.382 20 N CA -0.295 52.635 53.050 -0.199 0.000 0.787 20 N CB -0.102 38.277 38.487 -0.179 0.000 1.320 20 N HN 0.806 nan 8.380 nan 0.000 0.507 21 Q N -0.044 119.712 119.800 -0.073 0.000 2.852 21 Q HA 0.578 4.917 4.340 -0.001 0.000 0.262 21 Q C -0.504 175.792 176.000 0.493 0.000 1.051 21 Q CA -1.042 54.879 55.803 0.198 0.000 0.894 21 Q CB 1.884 30.774 28.738 0.254 0.000 1.381 21 Q HN 0.114 nan 8.270 nan 0.000 0.501 22 I N 1.216 122.072 120.570 0.476 0.000 2.395 22 I HA 0.143 4.313 4.170 -0.001 0.000 0.289 22 I C -0.725 175.676 176.117 0.474 0.000 1.023 22 I CA -0.156 61.394 61.300 0.417 0.000 1.350 22 I CB 0.415 38.555 38.000 0.234 0.000 1.409 22 I HN 0.366 nan 8.210 nan 0.000 0.507 23 F N 8.259 128.265 119.950 0.093 0.000 2.371 23 F HA 0.593 5.120 4.527 -0.001 0.000 0.363 23 F C -0.412 175.254 175.800 -0.223 0.000 1.122 23 F CA -0.365 57.455 58.000 -0.300 0.000 1.129 23 F CB 0.299 38.992 39.000 -0.511 0.000 1.173 23 F HN 0.179 nan 8.300 nan 0.000 0.489 24 I N 5.444 125.685 120.570 -0.549 0.000 2.619 24 I HA 0.188 4.358 4.170 -0.001 0.000 0.292 24 I C -0.211 175.578 176.117 -0.548 0.000 1.100 24 I CA -1.069 59.923 61.300 -0.513 0.000 1.043 24 I CB 1.888 39.573 38.000 -0.526 0.000 1.239 24 I HN 0.475 nan 8.210 nan 0.000 0.420 25 N N 4.442 122.869 118.700 -0.455 0.000 2.716 25 N HA -0.220 4.520 4.740 -0.001 0.000 0.250 25 N C 0.046 175.287 175.510 -0.448 0.000 1.033 25 N CA 0.935 53.782 53.050 -0.340 0.000 0.727 25 N CB -0.736 37.641 38.487 -0.183 0.000 0.950 25 N HN 0.806 nan 8.380 nan 0.000 0.541 26 N N -1.387 116.801 118.700 -0.853 0.000 2.753 26 N HA -0.195 4.545 4.740 -0.001 0.000 0.251 26 N C -0.853 174.214 175.510 -0.740 0.000 1.097 26 N CA 1.513 54.032 53.050 -0.885 0.000 0.786 26 N CB -0.355 37.962 38.487 -0.282 0.000 1.137 26 N HN 0.558 nan 8.380 nan 0.000 0.566 27 E N -1.133 118.623 120.200 -0.740 0.000 2.312 27 E HA 0.362 4.712 4.350 -0.001 0.000 0.267 27 E C -0.349 176.077 176.600 -0.289 0.000 0.894 27 E CA -0.519 55.655 56.400 -0.376 0.000 0.773 27 E CB 0.628 30.245 29.700 -0.138 0.000 1.241 27 E HN 0.137 nan 8.360 nan 0.000 0.432 28 W N 1.366 122.692 121.300 0.042 0.000 2.338 28 W HA 0.261 4.921 4.660 -0.000 0.000 0.307 28 W C 0.217 176.738 176.519 0.003 0.000 1.167 28 W CA -0.241 57.187 57.345 0.139 0.000 1.208 28 W CB 0.625 30.160 29.460 0.126 0.000 1.228 28 W HN 0.368 nan 8.180 nan 0.000 0.499 29 H N 1.054 120.291 119.070 0.279 0.000 2.622 29 H HA 0.307 4.863 4.556 -0.001 0.000 0.363 29 H C -0.333 175.091 175.328 0.160 0.000 1.151 29 H CA -0.842 55.302 56.048 0.159 0.000 1.184 29 H CB 1.299 31.109 29.762 0.081 0.000 1.643 29 H HN 0.234 nan 8.280 nan 0.000 0.531 30 D N 0.437 120.967 120.400 0.217 0.000 2.348 30 D HA 0.394 5.034 4.640 -0.001 0.000 0.249 30 D C 0.209 176.592 176.300 0.139 0.000 1.110 30 D CA -0.500 53.587 54.000 0.145 0.000 0.967 30 D CB 1.187 42.040 40.800 0.089 0.000 1.139 30 D HN 0.681 nan 8.370 nan 0.000 0.466 31 A N 0.829 123.711 122.820 0.104 0.000 2.531 31 A HA 0.073 4.393 4.320 -0.001 0.000 0.236 31 A C 1.552 179.178 177.584 0.070 0.000 1.062 31 A CA -0.368 51.718 52.037 0.083 0.000 0.760 31 A CB 0.273 19.311 19.000 0.064 0.000 0.995 31 A HN 0.430 nan 8.150 nan 0.000 0.501 32 V N 2.502 122.452 119.914 0.059 0.000 2.453 32 V HA -0.253 3.867 4.120 -0.001 0.000 0.252 32 V C 2.588 178.706 176.094 0.041 0.000 1.068 32 V CA 2.726 65.056 62.300 0.050 0.000 1.070 32 V CB -0.830 31.016 31.823 0.039 0.000 0.664 32 V HN 1.115 nan 8.190 nan 0.000 0.461 33 S N -1.366 114.356 115.700 0.036 0.000 2.562 33 S HA -0.022 4.447 4.470 -0.001 0.000 0.221 33 S C 1.262 175.882 174.600 0.033 0.000 0.975 33 S CA 0.044 58.262 58.200 0.031 0.000 0.918 33 S CB -0.002 63.214 63.200 0.026 0.000 0.772 33 S HN 0.501 nan 8.310 nan 0.000 0.531 34 R N -0.069 120.454 120.500 0.039 0.000 3.922 34 R HA -0.112 4.228 4.340 -0.001 0.000 0.447 34 R C -0.682 175.638 176.300 0.034 0.000 1.035 34 R CA 1.201 57.323 56.100 0.037 0.000 1.289 34 R CB -2.276 28.043 30.300 0.031 0.000 1.906 34 R HN 0.585 nan 8.270 nan 0.000 0.540 35 K N 1.476 121.898 120.400 0.036 0.000 2.295 35 K HA 0.238 4.557 4.320 -0.001 0.000 0.270 35 K C 0.797 177.426 176.600 0.048 0.000 1.011 35 K CA 0.741 57.052 56.287 0.040 0.000 0.953 35 K CB 0.655 33.177 32.500 0.037 0.000 0.956 35 K HN 0.260 nan 8.250 nan 0.000 0.477 36 T N -0.830 113.755 114.554 0.053 0.000 2.906 36 T HA 0.652 5.002 4.350 -0.001 0.000 0.295 36 T C -0.763 174.002 174.700 0.108 0.000 1.061 36 T CA -1.060 61.060 62.100 0.033 0.000 1.000 36 T CB 0.682 69.524 68.868 -0.044 0.000 1.103 36 T HN 0.464 nan 8.240 nan 0.000 0.486 37 F N -0.063 119.881 119.950 -0.010 0.000 2.532 37 F HA 0.858 5.385 4.527 -0.000 0.000 0.321 37 F C -3.024 172.813 175.800 0.062 0.000 1.089 37 F CA -3.069 54.964 58.000 0.055 0.000 0.926 37 F CB 1.631 40.677 39.000 0.078 0.000 1.168 37 F HN 0.371 nan 8.300 nan 0.000 0.459 38 P HA 0.161 nan 4.420 nan 0.000 0.284 38 P C -0.902 176.471 177.300 0.120 0.000 1.253 38 P CA -0.162 62.962 63.100 0.040 0.000 0.800 38 P CB 1.909 33.652 31.700 0.072 0.000 0.961 39 T N 2.077 116.639 114.554 0.013 0.000 2.779 39 T HA 0.394 4.743 4.350 -0.001 0.000 0.280 39 T C -0.487 174.232 174.700 0.032 0.000 0.987 39 T CA -0.491 61.651 62.100 0.070 0.000 0.966 39 T CB 0.314 69.203 68.868 0.035 0.000 0.933 39 T HN 0.064 nan 8.240 nan 0.000 0.442 40 V N 5.689 125.629 119.914 0.044 0.000 2.612 40 V HA 0.422 4.541 4.120 -0.001 0.000 0.301 40 V C 0.572 176.671 176.094 0.008 0.000 1.046 40 V CA -1.068 61.246 62.300 0.024 0.000 0.946 40 V CB 1.648 33.500 31.823 0.048 0.000 1.003 40 V HN 0.933 nan 8.190 nan 0.000 0.459 41 N N 5.248 123.944 118.700 -0.008 0.000 2.415 41 N HA 0.222 4.961 4.740 -0.001 0.000 0.246 41 N C -1.456 174.028 175.510 -0.042 0.000 1.078 41 N CA -1.502 51.539 53.050 -0.016 0.000 0.942 41 N CB 1.392 39.873 38.487 -0.010 0.000 1.140 41 N HN 0.426 nan 8.380 nan 0.000 0.501 42 P HA -0.103 nan 4.420 nan 0.000 0.222 42 P C 0.639 177.792 177.300 -0.245 0.000 1.147 42 P CA 1.011 64.079 63.100 -0.053 0.000 0.790 42 P CB 0.356 32.026 31.700 -0.050 0.000 0.780 43 S N -0.547 115.053 115.700 -0.166 0.000 2.428 43 S HA -0.048 4.422 4.470 -0.001 0.000 0.230 43 S C 1.853 176.452 174.600 -0.003 0.000 1.014 43 S CA 1.871 60.025 58.200 -0.077 0.000 0.957 43 S CB -0.622 62.642 63.200 0.105 0.000 0.784 43 S HN 0.471 nan 8.310 nan 0.000 0.499 44 T N -3.597 110.906 114.554 -0.084 0.000 2.954 44 T HA 0.474 4.823 4.350 -0.001 0.000 0.252 44 T C 1.501 176.086 174.700 -0.190 0.000 0.983 44 T CA 0.841 62.884 62.100 -0.095 0.000 0.941 44 T CB 0.440 69.279 68.868 -0.048 0.000 1.141 44 T HN 0.482 nan 8.240 nan 0.000 0.500 45 G N 1.507 110.165 108.800 -0.237 0.000 2.176 45 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.253 45 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.253 45 G C -0.144 174.695 174.900 -0.102 0.000 0.979 45 G CA 0.108 45.059 45.100 -0.248 0.000 0.641 45 G HN 0.604 nan 8.290 nan 0.000 0.530 46 E N 0.214 120.367 120.200 -0.078 0.000 2.319 46 E HA 0.492 4.841 4.350 -0.001 0.000 0.268 46 E C 0.701 177.283 176.600 -0.030 0.000 1.050 46 E CA -0.624 55.748 56.400 -0.048 0.000 0.878 46 E CB 1.773 31.444 29.700 -0.047 0.000 1.066 46 E HN 0.176 nan 8.360 nan 0.000 0.406 47 V N 3.948 123.849 119.914 -0.022 0.000 2.572 47 V HA -0.005 4.115 4.120 -0.001 0.000 0.291 47 V C 1.746 177.821 176.094 -0.032 0.000 1.039 47 V CA 0.285 62.574 62.300 -0.018 0.000 1.055 47 V CB 0.223 32.038 31.823 -0.013 0.000 0.969 47 V HN 0.609 nan 8.190 nan 0.000 0.482 48 I N 3.671 124.220 120.570 -0.034 0.000 2.235 48 I HA 0.038 4.208 4.170 -0.001 0.000 0.241 48 I C 0.969 177.047 176.117 -0.066 0.000 1.085 48 I CA 1.326 62.597 61.300 -0.048 0.000 1.378 48 I CB 0.152 38.125 38.000 -0.045 0.000 1.076 48 I HN 0.893 nan 8.210 nan 0.000 0.415 49 C N -2.096 117.158 119.300 -0.077 0.000 3.165 49 C HA 0.370 4.829 4.460 -0.001 0.000 0.345 49 C C -1.311 173.598 174.990 -0.135 0.000 1.367 49 C CA -1.242 57.718 59.018 -0.098 0.000 1.205 49 C CB 1.181 28.854 27.740 -0.111 0.000 1.447 49 C HN 0.171 nan 8.230 nan 0.000 0.451 50 Q N 0.650 120.361 119.800 -0.149 0.000 2.230 50 Q HA 0.736 5.076 4.340 -0.001 0.000 0.248 50 Q C -0.604 175.210 176.000 -0.310 0.000 0.915 50 Q CA -0.215 55.462 55.803 -0.210 0.000 0.900 50 Q CB 1.918 30.577 28.738 -0.131 0.000 1.229 50 Q HN 0.754 nan 8.270 nan 0.000 0.439 51 V N 0.539 120.118 119.914 -0.558 0.000 2.709 51 V HA 0.458 4.578 4.120 -0.001 0.000 0.308 51 V C -0.393 175.422 176.094 -0.465 0.000 1.062 51 V CA -1.304 60.634 62.300 -0.604 0.000 0.901 51 V CB 1.866 33.129 31.823 -0.934 0.000 1.003 51 V HN 0.890 nan 8.190 nan 0.000 0.425 52 A N 2.626 125.368 122.820 -0.129 0.000 2.553 52 A HA 0.122 4.441 4.320 -0.001 0.000 0.258 52 A C 0.472 178.177 177.584 0.200 0.000 1.069 52 A CA 0.360 52.423 52.037 0.044 0.000 0.767 52 A CB -0.242 18.820 19.000 0.104 0.000 0.997 52 A HN 0.906 nan 8.150 nan 0.000 0.512 53 E N 3.358 123.680 120.200 0.205 0.000 1.893 53 E HA 0.324 4.674 4.350 -0.001 0.000 0.269 53 E C 0.729 177.337 176.600 0.013 0.000 1.129 53 E CA -0.203 56.292 56.400 0.159 0.000 0.904 53 E CB 0.135 29.837 29.700 0.004 0.000 1.077 53 E HN 0.774 nan 8.360 nan 0.000 0.407 54 G N 3.636 112.456 108.800 0.034 0.000 2.483 54 G HA2 0.044 4.004 3.960 -0.001 0.000 0.248 54 G HA3 0.044 4.004 3.960 -0.001 0.000 0.248 54 G C -0.332 174.551 174.900 -0.029 0.000 1.248 54 G CA -0.259 44.854 45.100 0.022 0.000 0.838 54 G HN 0.597 nan 8.290 nan 0.000 0.566 55 D N -0.168 120.231 120.400 -0.003 0.000 2.837 55 D HA 0.198 4.837 4.640 -0.001 0.000 0.294 55 D C 1.295 177.605 176.300 0.017 0.000 1.158 55 D CA -0.794 53.204 54.000 -0.003 0.000 1.073 55 D CB 1.691 42.488 40.800 -0.005 0.000 1.419 55 D HN 0.277 nan 8.370 nan 0.000 0.584 56 K N 0.369 120.779 120.400 0.016 0.000 2.059 56 K HA -0.189 4.130 4.320 -0.001 0.000 0.212 56 K C 1.610 178.223 176.600 0.023 0.000 1.050 56 K CA 1.751 58.049 56.287 0.019 0.000 0.927 56 K CB 0.045 32.545 32.500 0.001 0.000 0.714 56 K HN 0.314 nan 8.250 nan 0.000 0.447 57 E N 0.142 120.352 120.200 0.016 0.000 2.118 57 E HA -0.191 4.159 4.350 -0.001 0.000 0.195 57 E C 1.680 178.294 176.600 0.022 0.000 0.992 57 E CA 1.354 57.764 56.400 0.018 0.000 0.804 57 E CB -0.015 29.695 29.700 0.016 0.000 0.741 57 E HN 0.438 nan 8.360 nan 0.000 0.458 58 D N 0.145 120.559 120.400 0.023 0.000 2.183 58 D HA -0.093 4.547 4.640 -0.001 0.000 0.203 58 D C 2.076 178.385 176.300 0.016 0.000 0.969 58 D CA 0.612 54.621 54.000 0.016 0.000 0.842 58 D CB 0.142 40.960 40.800 0.029 0.000 0.957 58 D HN 0.046 nan 8.370 nan 0.000 0.484 59 V N 1.832 121.770 119.914 0.041 0.000 2.358 59 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 59 V C 1.978 178.124 176.094 0.088 0.000 1.047 59 V CA 1.574 63.912 62.300 0.064 0.000 1.035 59 V CB -0.334 31.548 31.823 0.098 0.000 0.658 59 V HN 0.032 nan 8.190 nan 0.000 0.452 60 D N 0.167 120.634 120.400 0.112 0.000 2.123 60 D HA -0.170 4.469 4.640 -0.001 0.000 0.196 60 D C 2.246 178.588 176.300 0.070 0.000 0.992 60 D CA 1.286 55.382 54.000 0.159 0.000 0.833 60 D CB -0.185 40.675 40.800 0.100 0.000 0.954 60 D HN 0.438 nan 8.370 nan 0.000 0.455 61 K N 0.591 120.999 120.400 0.014 0.000 2.057 61 K HA -0.060 4.260 4.320 -0.001 0.000 0.207 61 K C 2.140 178.697 176.600 -0.072 0.000 1.049 61 K CA 1.170 57.434 56.287 -0.039 0.000 0.931 61 K CB -0.052 32.400 32.500 -0.080 0.000 0.714 61 K HN 0.027 nan 8.250 nan 0.000 0.440 62 A N 0.989 123.769 122.820 -0.067 0.000 1.873 62 A HA -0.106 4.214 4.320 -0.001 0.000 0.215 62 A C 2.388 179.925 177.584 -0.080 0.000 1.186 62 A CA 1.305 53.291 52.037 -0.084 0.000 0.616 62 A CB -0.667 18.300 19.000 -0.055 0.000 0.823 62 A HN 0.059 nan 8.150 nan 0.000 0.442 63 V N 0.316 120.181 119.914 -0.081 0.000 2.332 63 V HA -0.297 3.823 4.120 -0.001 0.000 0.248 63 V C 2.450 178.489 176.094 -0.092 0.000 1.055 63 V CA 2.425 64.633 62.300 -0.154 0.000 1.038 63 V CB -0.721 30.870 31.823 -0.386 0.000 0.651 63 V HN 0.544 nan 8.190 nan 0.000 0.450 64 K N 0.122 120.498 120.400 -0.039 0.000 2.097 64 K HA -0.097 4.223 4.320 -0.001 0.000 0.206 64 K C 2.314 178.904 176.600 -0.017 0.000 1.049 64 K CA 1.391 57.672 56.287 -0.009 0.000 0.933 64 K CB -0.394 32.112 32.500 0.010 0.000 0.717 64 K HN 0.483 nan 8.250 nan 0.000 0.442 65 A N 1.553 124.345 122.820 -0.046 0.000 1.877 65 A HA -0.111 4.208 4.320 -0.001 0.000 0.216 65 A C 2.379 179.941 177.584 -0.037 0.000 1.186 65 A CA 1.824 53.827 52.037 -0.057 0.000 0.620 65 A CB -0.693 18.241 19.000 -0.110 0.000 0.822 65 A HN 0.324 nan 8.150 nan 0.000 0.443 66 A N -0.077 122.716 122.820 -0.045 0.000 1.877 66 A HA -0.153 4.166 4.320 -0.001 0.000 0.216 66 A C 2.179 179.799 177.584 0.060 0.000 1.186 66 A CA 2.200 54.224 52.037 -0.022 0.000 0.620 66 A CB -0.488 18.476 19.000 -0.060 0.000 0.822 66 A HN 0.476 nan 8.150 nan 0.000 0.443 67 R N 0.393 120.921 120.500 0.047 0.000 2.091 67 R HA -0.097 4.243 4.340 -0.001 0.000 0.238 67 R C 2.093 178.489 176.300 0.160 0.000 1.136 67 R CA 2.192 58.364 56.100 0.121 0.000 0.959 67 R CB -0.992 29.348 30.300 0.066 0.000 0.856 67 R HN 0.396 nan 8.270 nan 0.000 0.437 68 A N 0.134 123.009 122.820 0.090 0.000 1.902 68 A HA -0.014 4.306 4.320 -0.001 0.000 0.217 68 A C 2.342 179.985 177.584 0.099 0.000 1.181 68 A CA 1.779 53.861 52.037 0.075 0.000 0.623 68 A CB -1.024 17.998 19.000 0.037 0.000 0.818 68 A HN 0.507 nan 8.150 nan 0.000 0.443 69 A N -2.223 120.664 122.820 0.111 0.000 2.119 69 A HA 0.117 4.436 4.320 -0.001 0.000 0.217 69 A C 1.726 179.481 177.584 0.284 0.000 1.153 69 A CA 1.187 53.309 52.037 0.142 0.000 0.692 69 A CB -0.523 18.512 19.000 0.059 0.000 0.799 69 A HN 0.613 nan 8.150 nan 0.000 0.458 70 F N 0.318 120.348 119.950 0.134 0.000 2.776 70 F HA 0.201 4.727 4.527 -0.001 0.000 0.300 70 F C 0.732 176.603 175.800 0.118 0.000 1.116 70 F CA -0.240 57.865 58.000 0.176 0.000 1.375 70 F CB 0.121 39.205 39.000 0.140 0.000 1.109 70 F HN 0.093 nan 8.300 nan 0.000 0.585 71 Q N 1.747 121.550 119.800 0.005 0.000 2.361 71 Q HA 0.025 4.364 4.340 -0.001 0.000 0.276 71 Q C -0.168 175.745 176.000 -0.144 0.000 1.022 71 Q CA -0.124 55.635 55.803 -0.074 0.000 0.898 71 Q CB 0.876 29.617 28.738 0.005 0.000 1.246 71 Q HN 0.275 nan 8.270 nan 0.000 0.410 72 L N 1.535 122.658 121.223 -0.166 0.000 2.578 72 L HA 0.094 4.434 4.340 -0.001 0.000 0.279 72 L C 1.230 178.056 176.870 -0.073 0.000 1.227 72 L CA 2.144 56.899 54.840 -0.141 0.000 0.900 72 L CB 0.078 42.075 42.059 -0.104 0.000 1.144 72 L HN 0.934 nan 8.230 nan 0.000 0.496 73 G N 1.919 110.681 108.800 -0.063 0.000 2.175 73 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.244 73 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.244 73 G C 0.307 175.203 174.900 -0.007 0.000 0.982 73 G CA 0.331 45.414 45.100 -0.029 0.000 0.641 73 G HN 1.101 nan 8.290 nan 0.000 0.527 74 S N 0.216 115.917 115.700 0.001 0.000 2.614 74 S HA 0.616 5.086 4.470 -0.001 0.000 0.265 74 S C -0.718 173.931 174.600 0.081 0.000 1.303 74 S CA -0.429 57.800 58.200 0.049 0.000 1.000 74 S CB 2.015 65.263 63.200 0.080 0.000 0.935 74 S HN -0.019 nan 8.310 nan 0.000 0.551 75 P HA -0.102 nan 4.420 nan 0.000 0.216 75 P C 1.200 178.642 177.300 0.237 0.000 1.150 75 P CA 1.178 64.363 63.100 0.141 0.000 0.843 75 P CB -0.068 31.716 31.700 0.141 0.000 0.787 76 W N 0.022 121.351 121.300 0.048 0.000 2.418 76 W HA -0.125 4.535 4.660 -0.001 0.000 0.292 76 W C 1.717 178.272 176.519 0.060 0.000 1.213 76 W CA 0.535 57.926 57.345 0.077 0.000 1.283 76 W CB -0.057 29.473 29.460 0.116 0.000 1.119 76 W HN -0.172 nan 8.180 nan 0.000 0.542 77 R N 0.383 120.907 120.500 0.040 0.000 2.119 77 R HA -0.026 4.313 4.340 -0.001 0.000 0.222 77 R C 2.066 178.297 176.300 -0.115 0.000 1.088 77 R CA 0.954 56.973 56.100 -0.135 0.000 0.984 77 R CB -0.642 29.564 30.300 -0.155 0.000 0.884 77 R HN 0.312 nan 8.270 nan 0.000 0.447 78 R N -0.189 120.282 120.500 -0.048 0.000 2.200 78 R HA 0.159 4.498 4.340 -0.001 0.000 0.208 78 R C 1.136 177.413 176.300 -0.039 0.000 1.033 78 R CA -0.165 55.911 56.100 -0.039 0.000 1.000 78 R CB -0.027 30.264 30.300 -0.015 0.000 0.906 78 R HN 0.110 nan 8.270 nan 0.000 0.462 79 M N 2.292 121.875 119.600 -0.029 0.000 2.251 79 M HA -0.058 4.421 4.480 -0.001 0.000 0.343 79 M C -0.785 175.493 176.300 -0.038 0.000 1.245 79 M CA 0.446 55.744 55.300 -0.004 0.000 1.061 79 M CB 0.520 33.166 32.600 0.077 0.000 1.723 79 M HN -0.081 nan 8.290 nan 0.000 0.449 80 D N 4.057 124.458 120.400 0.001 0.000 2.424 80 D HA 0.121 4.761 4.640 -0.001 0.000 0.244 80 D C 0.862 177.171 176.300 0.015 0.000 1.134 80 D CA 0.485 54.489 54.000 0.006 0.000 0.881 80 D CB 1.171 41.982 40.800 0.018 0.000 1.191 80 D HN 0.756 nan 8.370 nan 0.000 0.445 81 A N 2.449 125.266 122.820 -0.006 0.000 1.948 81 A HA -0.235 4.085 4.320 -0.001 0.000 0.220 81 A C 2.121 179.723 177.584 0.029 0.000 1.177 81 A CA 2.287 54.321 52.037 -0.006 0.000 0.636 81 A CB -0.638 18.374 19.000 0.020 0.000 0.815 81 A HN 0.602 nan 8.150 nan 0.000 0.449 82 S N -1.028 114.701 115.700 0.049 0.000 2.399 82 S HA -0.263 4.207 4.470 -0.001 0.000 0.231 82 S C 1.862 176.507 174.600 0.076 0.000 1.022 82 S CA 1.625 59.859 58.200 0.057 0.000 0.983 82 S CB -0.736 62.497 63.200 0.054 0.000 0.803 82 S HN 0.757 nan 8.310 nan 0.000 0.480 83 H N 1.351 120.414 119.070 -0.011 0.000 2.462 83 H HA 0.244 4.799 4.556 -0.001 0.000 0.292 83 H C 2.305 177.625 175.328 -0.014 0.000 1.049 83 H CA 1.459 57.498 56.048 -0.015 0.000 1.334 83 H CB -0.190 29.560 29.762 -0.020 0.000 1.404 83 H HN 0.344 nan 8.280 nan 0.000 0.544 84 R N -0.777 119.700 120.500 -0.037 0.000 2.096 84 R HA -0.052 4.287 4.340 -0.001 0.000 0.235 84 R C 2.481 178.785 176.300 0.006 0.000 1.127 84 R CA 1.200 57.281 56.100 -0.032 0.000 0.968 84 R CB -0.403 29.868 30.300 -0.049 0.000 0.861 84 R HN 0.473 nan 8.270 nan 0.000 0.440 85 G N 0.163 108.972 108.800 0.016 0.000 2.408 85 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.217 85 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.217 85 G C 1.285 176.187 174.900 0.004 0.000 1.150 85 G CA 0.119 45.245 45.100 0.044 0.000 0.776 85 G HN 0.121 nan 8.290 nan 0.000 0.542 86 R N 0.246 120.706 120.500 -0.066 0.000 2.081 86 R HA 0.064 4.404 4.340 -0.001 0.000 0.235 86 R C 2.602 178.816 176.300 -0.143 0.000 1.131 86 R CA 0.592 56.635 56.100 -0.095 0.000 0.960 86 R CB -1.044 29.184 30.300 -0.120 0.000 0.856 86 R HN 0.397 nan 8.270 nan 0.000 0.436 87 L N 0.335 121.386 121.223 -0.286 0.000 2.046 87 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 87 L C 2.492 179.381 176.870 0.032 0.000 1.077 87 L CA 1.098 55.722 54.840 -0.359 0.000 0.747 87 L CB -0.511 40.972 42.059 -0.960 0.000 0.896 87 L HN 0.121 nan 8.230 nan 0.000 0.432 88 L N -0.376 120.957 121.223 0.184 0.000 2.083 88 L HA -0.227 4.113 4.340 -0.001 0.000 0.209 88 L C 2.109 179.094 176.870 0.191 0.000 1.083 88 L CA 1.526 56.549 54.840 0.306 0.000 0.752 88 L CB -0.548 41.677 42.059 0.277 0.000 0.899 88 L HN 0.342 nan 8.230 nan 0.000 0.433 89 N N -0.624 118.146 118.700 0.117 0.000 2.188 89 N HA -0.208 4.532 4.740 -0.001 0.000 0.184 89 N C 1.907 177.471 175.510 0.090 0.000 1.018 89 N CA 0.696 53.800 53.050 0.090 0.000 0.858 89 N CB 0.025 38.545 38.487 0.055 0.000 0.989 89 N HN 0.112 nan 8.380 nan 0.000 0.426 90 R N 1.105 121.654 120.500 0.080 0.000 2.066 90 R HA -0.041 4.298 4.340 -0.001 0.000 0.232 90 R C 1.961 178.336 176.300 0.125 0.000 1.131 90 R CA 0.970 57.119 56.100 0.081 0.000 0.955 90 R CB -0.858 29.468 30.300 0.044 0.000 0.851 90 R HN 0.205 nan 8.270 nan 0.000 0.432 91 L N 0.440 121.777 121.223 0.191 0.000 2.042 91 L HA -0.021 4.319 4.340 -0.001 0.000 0.210 91 L C 2.100 179.052 176.870 0.137 0.000 1.076 91 L CA 2.315 57.270 54.840 0.191 0.000 0.749 91 L CB -1.045 41.162 42.059 0.246 0.000 0.893 91 L HN 0.286 nan 8.230 nan 0.000 0.432 92 A N -0.810 122.091 122.820 0.134 0.000 1.902 92 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 92 A C 1.977 179.622 177.584 0.101 0.000 1.181 92 A CA 1.833 53.938 52.037 0.114 0.000 0.623 92 A CB -0.880 18.188 19.000 0.114 0.000 0.818 92 A HN 0.529 nan 8.150 nan 0.000 0.443 93 D N -0.055 120.403 120.400 0.097 0.000 2.178 93 D HA -0.083 4.557 4.640 -0.001 0.000 0.201 93 D C 1.872 178.231 176.300 0.098 0.000 0.980 93 D CA 0.816 54.868 54.000 0.088 0.000 0.842 93 D CB -0.222 40.624 40.800 0.077 0.000 0.948 93 D HN 0.458 nan 8.370 nan 0.000 0.472 94 L N 0.060 121.347 121.223 0.107 0.000 2.109 94 L HA -0.023 4.317 4.340 -0.001 0.000 0.207 94 L C 2.346 179.306 176.870 0.150 0.000 1.086 94 L CA 0.568 55.479 54.840 0.119 0.000 0.760 94 L CB -0.198 41.926 42.059 0.109 0.000 0.910 94 L HN 0.031 nan 8.230 nan 0.000 0.437 95 I N -0.020 120.635 120.570 0.142 0.000 2.394 95 I HA -0.275 3.894 4.170 -0.001 0.000 0.251 95 I C 2.557 178.759 176.117 0.142 0.000 1.136 95 I CA 1.201 62.597 61.300 0.159 0.000 1.425 95 I CB -0.110 37.965 38.000 0.126 0.000 1.079 95 I HN 0.331 nan 8.210 nan 0.000 0.425 96 E N 1.227 121.494 120.200 0.112 0.000 2.106 96 E HA -0.252 4.098 4.350 -0.001 0.000 0.192 96 E C 2.403 179.079 176.600 0.126 0.000 0.984 96 E CA 0.857 57.314 56.400 0.094 0.000 0.806 96 E CB -0.006 29.738 29.700 0.075 0.000 0.750 96 E HN 0.242 nan 8.360 nan 0.000 0.458 97 R N 0.379 120.959 120.500 0.133 0.000 2.081 97 R HA -0.136 4.204 4.340 -0.001 0.000 0.235 97 R C 0.292 176.700 176.300 0.179 0.000 1.131 97 R CA 1.804 57.988 56.100 0.140 0.000 0.960 97 R CB -0.041 30.334 30.300 0.125 0.000 0.856 97 R HN 0.132 nan 8.270 nan 0.000 0.436 98 D N -0.082 120.450 120.400 0.221 0.000 2.561 98 D HA 0.035 4.674 4.640 -0.001 0.000 0.232 98 D C 1.034 177.502 176.300 0.281 0.000 1.198 98 D CA -0.006 54.167 54.000 0.288 0.000 0.826 98 D CB 0.265 41.315 40.800 0.416 0.000 0.992 98 D HN 0.239 nan 8.370 nan 0.000 0.490 99 R N 0.173 120.814 120.500 0.235 0.000 2.070 99 R HA -0.120 4.220 4.340 -0.001 0.000 0.233 99 R C 1.475 177.973 176.300 0.330 0.000 1.137 99 R CA 1.507 57.734 56.100 0.212 0.000 0.945 99 R CB -0.093 30.291 30.300 0.141 0.000 0.845 99 R HN -0.010 nan 8.270 nan 0.000 0.430 100 T N 0.309 115.113 114.554 0.416 0.000 2.684 100 T HA -0.235 4.115 4.350 -0.001 0.000 0.267 100 T C 1.407 176.327 174.700 0.367 0.000 1.036 100 T CA 1.768 64.127 62.100 0.433 0.000 1.148 100 T CB -0.553 68.495 68.868 0.299 0.000 0.863 100 T HN 0.410 nan 8.240 nan 0.000 0.436 101 Y N 1.763 122.168 120.300 0.174 0.000 2.114 101 Y HA -0.069 4.481 4.550 -0.001 0.000 0.284 101 Y C 2.049 177.989 175.900 0.067 0.000 1.143 101 Y CA 1.048 59.200 58.100 0.086 0.000 1.135 101 Y CB -0.731 37.735 38.460 0.010 0.000 0.980 101 Y HN 0.115 nan 8.280 nan 0.000 0.499 102 L N 0.053 121.167 121.223 -0.182 0.000 2.042 102 L HA -0.269 4.071 4.340 -0.001 0.000 0.210 102 L C 2.827 179.628 176.870 -0.114 0.000 1.076 102 L CA 1.377 56.067 54.840 -0.250 0.000 0.749 102 L CB -1.046 41.012 42.059 -0.001 0.000 0.893 102 L HN 0.395 nan 8.230 nan 0.000 0.432 103 A N -0.148 122.710 122.820 0.064 0.000 1.883 103 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 103 A C 2.522 180.226 177.584 0.201 0.000 1.186 103 A CA 1.904 54.016 52.037 0.125 0.000 0.624 103 A CB -0.806 18.320 19.000 0.210 0.000 0.822 103 A HN 0.424 nan 8.150 nan 0.000 0.444 104 A N -0.682 122.321 122.820 0.305 0.000 1.877 104 A HA -0.045 4.275 4.320 -0.001 0.000 0.216 104 A C 2.124 179.788 177.584 0.132 0.000 1.186 104 A CA 1.771 54.002 52.037 0.323 0.000 0.620 104 A CB -0.638 18.504 19.000 0.236 0.000 0.822 104 A HN 0.683 nan 8.150 nan 0.000 0.443 105 L N -0.207 120.933 121.223 -0.139 0.000 2.141 105 L HA -0.103 4.237 4.340 -0.001 0.000 0.209 105 L C 2.179 178.987 176.870 -0.103 0.000 1.094 105 L CA 2.588 57.305 54.840 -0.206 0.000 0.763 105 L CB -0.598 41.150 42.059 -0.517 0.000 0.908 105 L HN 0.509 nan 8.230 nan 0.000 0.437 106 E N -1.023 119.123 120.200 -0.089 0.000 2.047 106 E HA -0.172 4.178 4.350 -0.001 0.000 0.191 106 E C 2.042 178.599 176.600 -0.072 0.000 0.987 106 E CA 1.972 58.333 56.400 -0.066 0.000 0.799 106 E CB -0.370 29.296 29.700 -0.057 0.000 0.752 106 E HN 0.450 nan 8.360 nan 0.000 0.449 107 T N 0.771 115.273 114.554 -0.086 0.000 2.788 107 T HA -0.132 4.217 4.350 -0.001 0.000 0.268 107 T C 1.721 176.347 174.700 -0.124 0.000 1.044 107 T CA 1.165 63.152 62.100 -0.189 0.000 1.139 107 T CB -0.335 68.274 68.868 -0.433 0.000 0.867 107 T HN 0.105 nan 8.240 nan 0.000 0.454 108 L N 1.032 122.267 121.223 0.021 0.000 2.083 108 L HA -0.066 4.273 4.340 -0.001 0.000 0.209 108 L C 2.051 178.935 176.870 0.024 0.000 1.083 108 L CA 1.767 56.677 54.840 0.116 0.000 0.752 108 L CB -0.273 41.874 42.059 0.148 0.000 0.899 108 L HN 0.085 nan 8.230 nan 0.000 0.433 109 D N -1.736 118.658 120.400 -0.010 0.000 2.216 109 D HA -0.129 4.511 4.640 -0.001 0.000 0.208 109 D C 1.863 178.145 176.300 -0.030 0.000 0.960 109 D CA 0.617 54.608 54.000 -0.014 0.000 0.861 109 D CB 0.068 40.864 40.800 -0.006 0.000 0.985 109 D HN 0.349 nan 8.370 nan 0.000 0.493 110 N N -0.563 118.106 118.700 -0.051 0.000 2.278 110 N HA -0.042 4.698 4.740 -0.001 0.000 0.181 110 N C 1.351 176.794 175.510 -0.110 0.000 1.023 110 N CA 1.768 54.776 53.050 -0.071 0.000 0.862 110 N CB 0.704 39.138 38.487 -0.090 0.000 1.003 110 N HN 0.289 nan 8.380 nan 0.000 0.431 111 G N 1.210 109.934 108.800 -0.126 0.000 2.253 111 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.209 111 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.209 111 G C -0.104 174.701 174.900 -0.158 0.000 0.997 111 G CA 0.300 45.311 45.100 -0.147 0.000 0.640 111 G HN 0.642 nan 8.290 nan 0.000 0.496 112 K N 1.059 121.354 120.400 -0.176 0.000 2.380 112 K HA 0.467 4.786 4.320 -0.001 0.000 0.267 112 K C -2.685 173.821 176.600 -0.156 0.000 0.990 112 K CA -1.242 54.939 56.287 -0.178 0.000 0.946 112 K CB 0.426 32.788 32.500 -0.231 0.000 0.937 112 K HN 0.072 nan 8.250 nan 0.000 0.491 113 P HA -0.118 nan 4.420 nan 0.000 0.265 113 P C -0.312 176.934 177.300 -0.090 0.000 1.193 113 P CA -0.016 63.039 63.100 -0.074 0.000 0.765 113 P CB 0.148 31.847 31.700 -0.002 0.000 0.823 114 Y N 4.466 124.617 120.300 -0.248 0.000 2.207 114 Y HA -0.245 4.305 4.550 -0.000 0.000 0.287 114 Y C 1.772 177.665 175.900 -0.011 0.000 1.156 114 Y CA 1.746 59.728 58.100 -0.198 0.000 1.182 114 Y CB -0.873 37.446 38.460 -0.234 0.000 0.979 114 Y HN 0.075 nan 8.280 nan 0.000 0.521 115 V N 0.408 120.247 119.914 -0.126 0.000 2.392 115 V HA -0.326 3.793 4.120 -0.001 0.000 0.249 115 V C 2.349 178.405 176.094 -0.064 0.000 1.059 115 V CA 1.765 63.992 62.300 -0.121 0.000 1.051 115 V CB -0.669 31.171 31.823 0.029 0.000 0.658 115 V HN 0.426 nan 8.190 nan 0.000 0.455 116 I N 0.064 120.623 120.570 -0.019 0.000 2.233 116 I HA -0.130 4.040 4.170 -0.001 0.000 0.243 116 I C 2.582 178.706 176.117 0.011 0.000 1.093 116 I CA 1.461 62.792 61.300 0.052 0.000 1.380 116 I CB -1.519 36.535 38.000 0.090 0.000 1.067 116 I HN 0.273 nan 8.210 nan 0.000 0.413 117 S N 0.201 115.862 115.700 -0.065 0.000 2.383 117 S HA -0.235 4.235 4.470 -0.001 0.000 0.229 117 S C 2.021 176.579 174.600 -0.070 0.000 1.030 117 S CA 1.380 59.539 58.200 -0.067 0.000 1.002 117 S CB -0.542 62.607 63.200 -0.085 0.000 0.829 117 S HN 0.468 nan 8.310 nan 0.000 0.467 118 Y N 1.717 121.846 120.300 -0.284 0.000 2.176 118 Y HA 0.085 4.635 4.550 -0.000 0.000 0.291 118 Y C 1.908 177.743 175.900 -0.109 0.000 1.122 118 Y CA 1.221 59.172 58.100 -0.247 0.000 1.128 118 Y CB -0.251 37.926 38.460 -0.473 0.000 1.005 118 Y HN 0.103 nan 8.280 nan 0.000 0.509 119 L N -1.330 119.906 121.223 0.023 0.000 2.179 119 L HA -0.100 4.240 4.340 -0.001 0.000 0.208 119 L C 1.791 178.661 176.870 0.001 0.000 1.096 119 L CA 0.646 55.496 54.840 0.016 0.000 0.779 119 L CB -0.337 41.782 42.059 0.100 0.000 0.922 119 L HN 0.167 nan 8.230 nan 0.000 0.443 120 V N -0.819 119.119 119.914 0.040 0.000 2.695 120 V HA -0.068 4.052 4.120 -0.001 0.000 0.230 120 V C 1.717 177.848 176.094 0.061 0.000 1.110 120 V CA 0.992 63.346 62.300 0.091 0.000 1.159 120 V CB -0.321 31.637 31.823 0.225 0.000 0.875 120 V HN 0.200 nan 8.190 nan 0.000 0.502 121 D N 0.854 121.295 120.400 0.068 0.000 2.103 121 D HA -0.193 4.447 4.640 -0.001 0.000 0.190 121 D C 2.084 178.378 176.300 -0.011 0.000 0.997 121 D CA 1.416 55.438 54.000 0.037 0.000 0.833 121 D CB -0.233 40.589 40.800 0.037 0.000 0.961 121 D HN 0.108 nan 8.370 nan 0.000 0.447 122 L N 0.484 121.677 121.223 -0.050 0.000 2.141 122 L HA -0.140 4.200 4.340 -0.001 0.000 0.209 122 L C 1.942 178.771 176.870 -0.068 0.000 1.094 122 L CA 1.526 56.324 54.840 -0.070 0.000 0.763 122 L CB -0.835 41.145 42.059 -0.132 0.000 0.908 122 L HN 0.103 nan 8.230 nan 0.000 0.437 123 D N -0.260 120.088 120.400 -0.087 0.000 2.117 123 D HA -0.211 4.429 4.640 -0.001 0.000 0.198 123 D C 2.333 178.642 176.300 0.015 0.000 0.982 123 D CA 1.252 55.221 54.000 -0.051 0.000 0.828 123 D CB 0.108 40.877 40.800 -0.052 0.000 0.967 123 D HN 0.144 nan 8.370 nan 0.000 0.464 124 M N -0.584 119.036 119.600 0.034 0.000 2.229 124 M HA -0.110 4.370 4.480 -0.001 0.000 0.264 124 M C 2.150 178.517 176.300 0.112 0.000 1.063 124 M CA 0.629 55.978 55.300 0.082 0.000 1.114 124 M CB 0.071 32.716 32.600 0.076 0.000 1.387 124 M HN -0.011 nan 8.290 nan 0.000 0.420 125 V N 0.706 120.662 119.914 0.069 0.000 2.295 125 V HA -0.260 3.860 4.120 -0.001 0.000 0.246 125 V C 2.241 178.403 176.094 0.113 0.000 1.049 125 V CA 1.648 64.002 62.300 0.089 0.000 1.024 125 V CB -0.557 31.293 31.823 0.045 0.000 0.648 125 V HN 0.461 nan 8.190 nan 0.000 0.447 126 L N -0.642 120.629 121.223 0.080 0.000 2.046 126 L HA -0.195 4.145 4.340 -0.001 0.000 0.208 126 L C 2.570 179.507 176.870 0.111 0.000 1.077 126 L CA 1.694 56.585 54.840 0.086 0.000 0.747 126 L CB -0.598 41.490 42.059 0.049 0.000 0.896 126 L HN 0.284 nan 8.230 nan 0.000 0.432 127 K N -0.863 119.602 120.400 0.108 0.000 2.097 127 K HA -0.181 4.138 4.320 -0.001 0.000 0.205 127 K C 2.297 179.002 176.600 0.175 0.000 1.050 127 K CA 1.450 57.809 56.287 0.120 0.000 0.938 127 K CB -0.370 32.184 32.500 0.090 0.000 0.718 127 K HN 0.386 nan 8.250 nan 0.000 0.442 128 C N 1.137 120.565 119.300 0.213 0.000 2.453 128 C HA -0.032 4.427 4.460 -0.001 0.000 0.277 128 C C 2.395 177.613 174.990 0.379 0.000 1.262 128 C CA 0.551 59.753 59.018 0.306 0.000 1.718 128 C CB -0.876 27.104 27.740 0.399 0.000 2.031 128 C HN 0.390 nan 8.230 nan 0.000 0.480 129 L N 0.271 121.669 121.223 0.291 0.000 2.093 129 L HA -0.067 4.272 4.340 -0.001 0.000 0.208 129 L C 3.011 180.029 176.870 0.245 0.000 1.085 129 L CA 1.489 56.492 54.840 0.271 0.000 0.755 129 L CB -0.667 41.509 42.059 0.194 0.000 0.904 129 L HN 0.347 nan 8.230 nan 0.000 0.435 130 R N -1.362 119.258 120.500 0.199 0.000 2.148 130 R HA -0.158 4.182 4.340 -0.001 0.000 0.223 130 R C 2.222 178.602 176.300 0.132 0.000 1.088 130 R CA 1.080 57.268 56.100 0.146 0.000 0.985 130 R CB -0.311 30.056 30.300 0.112 0.000 0.880 130 R HN 0.272 nan 8.270 nan 0.000 0.451 131 Y N 0.318 120.643 120.300 0.042 0.000 2.109 131 Y HA -0.257 4.292 4.550 -0.001 0.000 0.285 131 Y C 1.687 177.563 175.900 -0.040 0.000 1.131 131 Y CA 1.441 59.505 58.100 -0.061 0.000 1.121 131 Y CB -0.554 37.826 38.460 -0.132 0.000 0.987 131 Y HN -0.034 nan 8.280 nan 0.000 0.495 132 Y N -0.058 120.331 120.300 0.148 0.000 2.333 132 Y HA -0.163 4.386 4.550 -0.001 0.000 0.290 132 Y C 2.626 178.574 175.900 0.081 0.000 1.144 132 Y CA 0.801 58.981 58.100 0.133 0.000 1.228 132 Y CB -0.561 38.031 38.460 0.220 0.000 0.985 132 Y HN 0.304 nan 8.280 nan 0.000 0.542 133 A N 0.181 123.117 122.820 0.194 0.000 1.917 133 A HA -0.216 4.103 4.320 -0.001 0.000 0.219 133 A C 2.501 180.110 177.584 0.043 0.000 1.182 133 A CA 1.929 54.044 52.037 0.130 0.000 0.633 133 A CB -1.460 17.602 19.000 0.104 0.000 0.819 133 A HN 0.477 nan 8.150 nan 0.000 0.448 134 G N -2.731 106.019 108.800 -0.083 0.000 2.484 134 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.218 134 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.218 134 G C 1.314 176.083 174.900 -0.219 0.000 1.130 134 G CA 0.613 45.596 45.100 -0.195 0.000 0.784 134 G HN 0.686 nan 8.290 nan 0.000 0.543 135 W N 0.566 121.773 121.300 -0.156 0.000 2.584 135 W HA 0.263 4.923 4.660 -0.001 0.000 0.264 135 W C 2.756 179.260 176.519 -0.024 0.000 1.264 135 W CA 0.237 57.515 57.345 -0.112 0.000 1.306 135 W CB 0.291 29.695 29.460 -0.094 0.000 1.110 135 W HN 0.244 nan 8.180 nan 0.000 0.606 136 A N 1.217 124.181 122.820 0.239 0.000 1.954 136 A HA -0.309 4.010 4.320 -0.001 0.000 0.222 136 A C 1.259 178.923 177.584 0.134 0.000 1.199 136 A CA 2.513 54.647 52.037 0.161 0.000 0.657 136 A CB -0.906 18.159 19.000 0.108 0.000 0.823 136 A HN 0.379 nan 8.150 nan 0.000 0.463 137 D N -2.504 117.965 120.400 0.114 0.000 2.670 137 D HA 0.257 4.896 4.640 -0.001 0.000 0.255 137 D C 0.443 176.800 176.300 0.095 0.000 1.286 137 D CA -0.087 53.971 54.000 0.097 0.000 0.830 137 D CB 0.083 40.925 40.800 0.070 0.000 1.065 137 D HN 0.489 nan 8.370 nan 0.000 0.486 138 K N -0.739 119.732 120.400 0.119 0.000 2.517 138 K HA 0.050 4.369 4.320 -0.001 0.000 0.210 138 K C -0.378 176.115 176.600 -0.179 0.000 1.166 138 K CA -0.458 55.800 56.287 -0.048 0.000 1.030 138 K CB 0.801 33.310 32.500 0.016 0.000 0.974 138 K HN -0.038 nan 8.250 nan 0.000 0.585 139 Y N 3.266 123.528 120.300 -0.064 0.000 2.667 139 Y HA 0.113 4.663 4.550 -0.001 0.000 0.340 139 Y C -0.376 175.468 175.900 -0.093 0.000 1.303 139 Y CA -1.189 56.864 58.100 -0.079 0.000 1.769 139 Y CB -1.227 37.224 38.460 -0.015 0.000 1.804 139 Y HN 0.085 nan 8.280 nan 0.000 0.451 140 H N 0.383 119.438 119.070 -0.026 0.000 2.929 140 H HA 0.299 4.855 4.556 -0.001 0.000 0.358 140 H C 1.004 175.983 175.328 -0.581 0.000 1.111 140 H CA 0.408 56.341 56.048 -0.193 0.000 1.409 140 H CB 0.711 30.415 29.762 -0.097 0.000 1.373 140 H HN 0.677 nan 8.280 nan 0.000 0.610 141 G N 0.684 109.231 108.800 -0.422 0.000 2.531 141 G HA2 0.462 4.422 3.960 -0.001 0.000 0.281 141 G HA3 0.462 4.422 3.960 -0.001 0.000 0.281 141 G C -0.760 173.981 174.900 -0.264 0.000 1.382 141 G CA -0.906 43.783 45.100 -0.684 0.000 1.045 141 G HN 0.539 nan 8.290 nan 0.000 0.533 142 K N -0.576 119.746 120.400 -0.130 0.000 2.385 142 K HA 0.525 4.845 4.320 -0.001 0.000 0.248 142 K C -0.949 175.690 176.600 0.063 0.000 0.955 142 K CA -0.671 55.600 56.287 -0.026 0.000 0.816 142 K CB 2.141 34.632 32.500 -0.015 0.000 1.250 142 K HN 0.588 nan 8.250 nan 0.000 0.434 143 T N -0.544 114.064 114.554 0.091 0.000 2.770 143 T HA 0.536 4.885 4.350 -0.001 0.000 0.297 143 T C -0.020 174.765 174.700 0.141 0.000 0.997 143 T CA -0.736 61.478 62.100 0.189 0.000 0.949 143 T CB -0.223 68.784 68.868 0.232 0.000 0.941 143 T HN 0.363 nan 8.240 nan 0.000 0.457 144 I N 5.549 126.201 120.570 0.136 0.000 2.359 144 I HA 0.345 4.515 4.170 -0.001 0.000 0.294 144 I C -1.771 174.418 176.117 0.120 0.000 0.987 144 I CA -2.717 58.639 61.300 0.094 0.000 1.225 144 I CB 1.914 39.941 38.000 0.046 0.000 1.366 144 I HN 0.458 nan 8.210 nan 0.000 0.466 145 P HA 0.189 nan 4.420 nan 0.000 0.220 145 P C 0.034 177.384 177.300 0.084 0.000 1.806 145 P CA 0.063 63.218 63.100 0.093 0.000 0.976 145 P CB 0.203 31.941 31.700 0.064 0.000 1.952 146 I N 1.131 121.762 120.570 0.101 0.000 2.938 146 I HA 0.033 4.203 4.170 -0.001 0.000 0.285 146 I C 0.359 176.547 176.117 0.118 0.000 1.182 146 I CA -0.057 61.295 61.300 0.086 0.000 1.388 146 I CB 0.666 38.706 38.000 0.066 0.000 1.390 146 I HN 0.039 nan 8.210 nan 0.000 0.600 147 D N 4.094 124.555 120.400 0.102 0.000 2.382 147 D HA 0.445 5.085 4.640 -0.001 0.000 0.240 147 D C 0.337 176.771 176.300 0.224 0.000 1.146 147 D CA 1.080 55.152 54.000 0.121 0.000 0.897 147 D CB 0.855 41.705 40.800 0.083 0.000 1.197 147 D HN 0.909 nan 8.370 nan 0.000 0.432 148 G N 1.620 110.527 108.800 0.179 0.000 2.760 148 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.246 148 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.246 148 G C -0.778 174.160 174.900 0.063 0.000 1.359 148 G CA -0.742 44.467 45.100 0.183 0.000 0.861 148 G HN 0.533 nan 8.290 nan 0.000 0.541 149 D N 0.961 121.208 120.400 -0.255 0.000 2.608 149 D HA 0.470 5.109 4.640 -0.001 0.000 0.224 149 D C -0.151 175.713 176.300 -0.727 0.000 1.123 149 D CA 1.020 54.787 54.000 -0.387 0.000 1.030 149 D CB -0.400 40.185 40.800 -0.358 0.000 1.093 149 D HN 0.259 nan 8.370 nan 0.000 0.497 150 F N 0.457 120.452 119.950 0.074 0.000 2.626 150 F HA 0.359 4.886 4.527 -0.001 0.000 0.311 150 F C -0.459 175.461 175.800 0.200 0.000 1.088 150 F CA -1.422 56.644 58.000 0.109 0.000 0.949 150 F CB 1.702 40.742 39.000 0.066 0.000 1.322 150 F HN -0.114 nan 8.300 nan 0.000 0.461 151 F N 2.150 122.248 119.950 0.247 0.000 2.382 151 F HA 0.648 5.175 4.527 -0.001 0.000 0.361 151 F C -0.648 175.271 175.800 0.199 0.000 1.109 151 F CA -1.184 56.929 58.000 0.187 0.000 1.031 151 F CB 0.949 40.050 39.000 0.168 0.000 1.234 151 F HN 0.239 nan 8.300 nan 0.000 0.445 152 S N 6.716 122.517 115.700 0.169 0.000 2.454 152 S HA 0.780 5.249 4.470 -0.001 0.000 0.306 152 S C -1.391 173.135 174.600 -0.124 0.000 1.100 152 S CA -0.292 57.834 58.200 -0.124 0.000 1.087 152 S CB 0.621 63.794 63.200 -0.046 0.000 1.019 152 S HN 0.657 nan 8.310 nan 0.000 0.480 153 Y N 0.199 120.289 120.300 -0.350 0.000 2.597 153 Y HA 0.763 5.312 4.550 -0.001 0.000 0.340 153 Y C -0.539 175.261 175.900 -0.165 0.000 1.097 153 Y CA -1.128 56.828 58.100 -0.242 0.000 1.037 153 Y CB 0.773 39.035 38.460 -0.330 0.000 1.305 153 Y HN 0.505 nan 8.280 nan 0.000 0.463 154 T N 0.037 114.612 114.554 0.035 0.000 2.855 154 T HA 0.676 5.025 4.350 -0.001 0.000 0.281 154 T C -0.778 173.988 174.700 0.109 0.000 1.007 154 T CA -1.030 61.069 62.100 -0.000 0.000 1.009 154 T CB 1.665 70.556 68.868 0.037 0.000 0.983 154 T HN 0.811 nan 8.240 nan 0.000 0.455 155 R N 1.289 121.854 120.500 0.108 0.000 2.393 155 R HA 0.303 4.642 4.340 -0.001 0.000 0.310 155 R C -0.346 176.096 176.300 0.235 0.000 0.968 155 R CA -0.666 55.526 56.100 0.153 0.000 0.867 155 R CB 0.962 31.340 30.300 0.129 0.000 1.124 155 R HN 0.744 nan 8.270 nan 0.000 0.450 156 H N 2.573 121.667 119.070 0.039 0.000 2.818 156 H HA 0.119 4.674 4.556 -0.001 0.000 0.269 156 H C -0.329 175.048 175.328 0.082 0.000 1.277 156 H CA -0.325 55.747 56.048 0.042 0.000 1.290 156 H CB 0.793 30.555 29.762 -0.000 0.000 1.479 156 H HN 0.417 nan 8.280 nan 0.000 0.507 157 E N 3.430 123.731 120.200 0.169 0.000 2.280 157 E HA 0.223 4.573 4.350 -0.001 0.000 0.264 157 E C -2.423 174.272 176.600 0.159 0.000 1.064 157 E CA -2.181 54.307 56.400 0.148 0.000 0.900 157 E CB 0.875 30.653 29.700 0.129 0.000 1.123 157 E HN 0.363 nan 8.360 nan 0.000 0.418 158 P HA -0.065 nan 4.420 nan 0.000 0.275 158 P C 0.499 177.904 177.300 0.174 0.000 1.227 158 P CA -0.001 63.228 63.100 0.216 0.000 0.781 158 P CB 0.786 32.698 31.700 0.354 0.000 0.906 159 V N 2.442 122.410 119.914 0.090 0.000 2.626 159 V HA 0.043 4.162 4.120 -0.001 0.000 0.252 159 V C 0.995 177.034 176.094 -0.092 0.000 1.067 159 V CA 2.657 64.972 62.300 0.026 0.000 1.081 159 V CB -1.204 30.634 31.823 0.025 0.000 0.686 159 V HN 0.948 nan 8.190 nan 0.000 0.468 160 G N -1.029 107.578 108.800 -0.322 0.000 2.317 160 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.196 160 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.196 160 G C -0.539 173.960 174.900 -0.668 0.000 1.255 160 G CA -0.280 44.279 45.100 -0.902 0.000 1.243 160 G HN 0.593 nan 8.290 nan 0.000 0.535 161 V N 1.071 120.704 119.914 -0.468 0.000 2.415 161 V HA 0.380 4.499 4.120 -0.001 0.000 0.267 161 V C 0.529 176.543 176.094 -0.134 0.000 1.042 161 V CA -0.146 62.003 62.300 -0.253 0.000 1.000 161 V CB 0.161 31.871 31.823 -0.189 0.000 1.015 161 V HN 0.827 nan 8.190 nan 0.000 0.478 162 C N 4.891 124.148 119.300 -0.072 0.000 2.273 162 C HA 0.670 5.130 4.460 -0.001 0.000 0.328 162 C C 1.089 176.093 174.990 0.024 0.000 1.275 162 C CA -0.920 58.112 59.018 0.024 0.000 1.704 162 C CB 0.159 27.976 27.740 0.130 0.000 2.326 162 C HN 0.990 nan 8.230 nan 0.000 0.517 163 G N 3.172 111.994 108.800 0.037 0.000 2.320 163 G HA2 0.518 4.477 3.960 -0.001 0.000 0.300 163 G HA3 0.518 4.477 3.960 -0.001 0.000 0.300 163 G C -0.766 174.188 174.900 0.091 0.000 1.126 163 G CA -0.154 44.972 45.100 0.045 0.000 0.896 163 G HN 0.816 nan 8.290 nan 0.000 0.436 164 Q N 1.665 121.518 119.800 0.089 0.000 2.325 164 Q HA 0.431 4.770 4.340 -0.001 0.000 0.270 164 Q C -0.633 175.437 176.000 0.117 0.000 1.020 164 Q CA -0.438 55.434 55.803 0.115 0.000 0.785 164 Q CB 2.722 31.517 28.738 0.096 0.000 1.259 164 Q HN 0.537 nan 8.270 nan 0.000 0.452 165 I N 4.963 125.629 120.570 0.161 0.000 2.354 165 I HA 0.423 4.593 4.170 -0.001 0.000 0.286 165 I C -0.090 176.056 176.117 0.048 0.000 1.007 165 I CA -0.765 60.642 61.300 0.179 0.000 1.167 165 I CB 0.611 38.841 38.000 0.383 0.000 1.320 165 I HN 0.531 nan 8.210 nan 0.000 0.458 166 I N 5.404 125.984 120.570 0.015 0.000 2.648 166 I HA 0.726 4.896 4.170 -0.001 0.000 0.304 166 I C -2.536 173.533 176.117 -0.079 0.000 1.009 166 I CA -2.216 59.042 61.300 -0.070 0.000 1.114 166 I CB 1.963 39.945 38.000 -0.031 0.000 1.293 166 I HN 0.230 nan 8.210 nan 0.000 0.449 167 P HA 0.128 nan 4.420 nan 0.000 0.302 167 P C -0.178 177.039 177.300 -0.139 0.000 1.307 167 P CA -0.065 62.881 63.100 -0.257 0.000 0.754 167 P CB 0.609 32.029 31.700 -0.465 0.000 1.298 168 W N -0.106 121.191 121.300 -0.005 0.000 3.058 168 W HA 0.061 4.720 4.660 -0.001 0.000 0.306 168 W C 1.067 177.518 176.519 -0.114 0.000 1.188 168 W CA 0.234 57.558 57.345 -0.035 0.000 1.651 168 W CB -1.635 27.814 29.460 -0.018 0.000 1.051 168 W HN 0.200 nan 8.180 nan 0.000 0.592 169 N N 2.272 120.768 118.700 -0.341 0.000 2.223 169 N HA -0.204 4.535 4.740 -0.001 0.000 0.185 169 N C -0.102 174.906 175.510 -0.837 0.000 1.016 169 N CA 1.037 53.800 53.050 -0.479 0.000 0.863 169 N CB -1.152 36.946 38.487 -0.648 0.000 0.983 169 N HN 0.124 nan 8.380 nan 0.000 0.429 170 F N -0.720 119.087 119.950 -0.237 0.000 2.794 170 F HA 0.415 4.942 4.527 -0.001 0.000 0.353 170 F C -1.874 173.792 175.800 -0.223 0.000 1.371 170 F CA -2.017 55.820 58.000 -0.271 0.000 1.173 170 F CB 2.099 40.842 39.000 -0.428 0.000 1.693 170 F HN -0.187 nan 8.300 nan 0.000 0.606 171 P HA -0.216 nan 4.420 nan 0.000 0.214 171 P C 1.907 179.196 177.300 -0.017 0.000 1.169 171 P CA 1.733 64.831 63.100 -0.004 0.000 0.908 171 P CB 0.424 32.134 31.700 0.017 0.000 0.791 172 L N -2.048 119.163 121.223 -0.019 0.000 2.056 172 L HA -0.141 4.199 4.340 -0.001 0.000 0.207 172 L C 2.442 179.276 176.870 -0.060 0.000 1.078 172 L CA 0.903 55.733 54.840 -0.018 0.000 0.749 172 L CB -0.930 41.128 42.059 -0.002 0.000 0.901 172 L HN -0.016 nan 8.230 nan 0.000 0.433 173 L N -0.680 120.468 121.223 -0.124 0.000 2.046 173 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 173 L C 2.504 179.090 176.870 -0.474 0.000 1.077 173 L CA 1.788 56.440 54.840 -0.313 0.000 0.747 173 L CB -0.401 41.368 42.059 -0.483 0.000 0.896 173 L HN 0.169 nan 8.230 nan 0.000 0.432 174 M N -0.946 118.428 119.600 -0.377 0.000 2.159 174 M HA -0.244 4.236 4.480 -0.001 0.000 0.263 174 M C 2.276 178.535 176.300 -0.068 0.000 1.063 174 M CA 1.739 56.871 55.300 -0.279 0.000 1.110 174 M CB -1.131 31.365 32.600 -0.174 0.000 1.374 174 M HN 0.528 nan 8.290 nan 0.000 0.411 175 Q N -0.048 119.724 119.800 -0.046 0.000 2.084 175 Q HA -0.124 4.216 4.340 -0.001 0.000 0.202 175 Q C 1.985 178.006 176.000 0.035 0.000 0.978 175 Q CA 1.858 57.661 55.803 0.001 0.000 0.844 175 Q CB -0.003 28.733 28.738 -0.004 0.000 0.898 175 Q HN 0.467 nan 8.270 nan 0.000 0.426 176 A N 0.077 122.929 122.820 0.054 0.000 1.898 176 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 176 A C 1.525 179.278 177.584 0.281 0.000 1.181 176 A CA 1.154 53.277 52.037 0.143 0.000 0.620 176 A CB -1.109 17.988 19.000 0.162 0.000 0.819 176 A HN 0.635 nan 8.150 nan 0.000 0.442 177 W N 0.417 121.735 121.300 0.029 0.000 2.392 177 W HA -0.038 4.622 4.660 -0.001 0.000 0.279 177 W C 2.008 178.535 176.519 0.013 0.000 1.225 177 W CA 1.249 58.625 57.345 0.052 0.000 1.233 177 W CB -0.169 29.309 29.460 0.029 0.000 1.122 177 W HN 0.242 nan 8.180 nan 0.000 0.561 178 K N -0.463 120.058 120.400 0.202 0.000 2.141 178 K HA 0.117 4.436 4.320 -0.001 0.000 0.202 178 K C 2.061 178.603 176.600 -0.097 0.000 1.045 178 K CA 0.630 56.963 56.287 0.076 0.000 0.971 178 K CB -0.908 31.641 32.500 0.082 0.000 0.795 178 K HN 0.193 nan 8.250 nan 0.000 0.459 179 L N 0.346 121.529 121.223 -0.065 0.000 2.027 179 L HA -0.070 4.270 4.340 -0.001 0.000 0.206 179 L C 2.505 179.296 176.870 -0.131 0.000 1.074 179 L CA 1.467 56.233 54.840 -0.123 0.000 0.745 179 L CB -1.183 40.815 42.059 -0.102 0.000 0.898 179 L HN 0.250 nan 8.230 nan 0.000 0.433 180 G N 1.292 110.060 108.800 -0.054 0.000 2.553 180 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.218 180 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.218 180 G C -0.456 174.248 174.900 -0.326 0.000 1.195 180 G CA 1.228 46.315 45.100 -0.022 0.000 0.779 180 G HN 0.333 nan 8.290 nan 0.000 0.577 181 P HA 0.022 nan 4.420 nan 0.000 0.217 181 P C 2.107 179.083 177.300 -0.540 0.000 1.154 181 P CA 1.934 64.523 63.100 -0.852 0.000 0.841 181 P CB -0.157 31.085 31.700 -0.763 0.000 0.788 182 A N 0.757 123.119 122.820 -0.764 0.000 1.865 182 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 182 A C 2.474 179.954 177.584 -0.173 0.000 1.191 182 A CA 1.621 53.215 52.037 -0.739 0.000 0.623 182 A CB -1.633 16.909 19.000 -0.763 0.000 0.826 182 A HN 0.117 nan 8.150 nan 0.000 0.444 183 L N -1.036 120.170 121.223 -0.028 0.000 2.156 183 L HA -0.095 4.245 4.340 -0.001 0.000 0.208 183 L C 3.003 180.045 176.870 0.286 0.000 1.095 183 L CA 0.827 55.853 54.840 0.311 0.000 0.770 183 L CB -0.622 41.646 42.059 0.348 0.000 0.914 183 L HN 0.443 nan 8.230 nan 0.000 0.439 184 A N 0.399 123.296 122.820 0.128 0.000 2.019 184 A HA -0.170 4.150 4.320 -0.001 0.000 0.219 184 A C 2.238 179.871 177.584 0.081 0.000 1.164 184 A CA 2.073 54.190 52.037 0.134 0.000 0.644 184 A CB -0.728 18.373 19.000 0.168 0.000 0.805 184 A HN 0.508 nan 8.150 nan 0.000 0.449 185 T N -4.545 110.033 114.554 0.040 0.000 3.107 185 T HA 0.421 4.770 4.350 -0.001 0.000 0.249 185 T C 1.243 175.970 174.700 0.046 0.000 1.096 185 T CA 0.951 63.081 62.100 0.050 0.000 1.012 185 T CB 0.169 69.067 68.868 0.050 0.000 0.977 185 T HN 1.645 nan 8.240 nan 0.000 0.527 186 G N 1.490 110.304 108.800 0.022 0.000 2.132 186 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.228 186 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.228 186 G C -0.031 175.023 174.900 0.257 0.000 1.000 186 G CA -0.273 44.747 45.100 -0.133 0.000 0.693 186 G HN 0.557 nan 8.290 nan 0.000 0.515 187 N N -0.693 118.230 118.700 0.372 0.000 2.405 187 N HA 0.624 5.364 4.740 -0.001 0.000 0.269 187 N C 0.437 176.231 175.510 0.473 0.000 1.249 187 N CA 0.532 53.773 53.050 0.318 0.000 0.974 187 N CB 1.673 40.209 38.487 0.082 0.000 1.204 187 N HN 0.702 nan 8.380 nan 0.000 0.565 188 V N -1.814 118.187 119.914 0.145 0.000 2.680 188 V HA 0.664 4.784 4.120 -0.001 0.000 0.309 188 V C -0.165 175.895 176.094 -0.057 0.000 1.052 188 V CA -0.807 61.510 62.300 0.028 0.000 0.908 188 V CB 1.570 33.412 31.823 0.031 0.000 1.001 188 V HN 0.213 nan 8.190 nan 0.000 0.431 189 V N 3.649 123.511 119.914 -0.086 0.000 2.628 189 V HA 0.579 4.699 4.120 -0.001 0.000 0.306 189 V C -0.347 175.712 176.094 -0.058 0.000 1.045 189 V CA -0.522 61.733 62.300 -0.073 0.000 0.905 189 V CB 2.142 33.910 31.823 -0.091 0.000 0.997 189 V HN 0.776 nan 8.190 nan 0.000 0.436 190 V N 5.589 125.482 119.914 -0.035 0.000 2.289 190 V HA 0.388 4.508 4.120 -0.001 0.000 0.272 190 V C -0.099 176.004 176.094 0.014 0.000 1.026 190 V CA -0.177 62.112 62.300 -0.018 0.000 0.807 190 V CB 1.187 32.989 31.823 -0.036 0.000 1.044 190 V HN 0.889 nan 8.190 nan 0.000 0.443 191 M N 4.441 124.056 119.600 0.024 0.000 2.233 191 M HA 0.521 5.001 4.480 -0.001 0.000 0.355 191 M C -0.305 176.037 176.300 0.069 0.000 1.191 191 M CA -0.345 54.981 55.300 0.044 0.000 1.101 191 M CB 0.951 33.568 32.600 0.027 0.000 1.592 191 M HN 0.304 nan 8.290 nan 0.000 0.461 192 K N 5.779 126.229 120.400 0.084 0.000 2.527 192 K HA 0.308 4.628 4.320 -0.001 0.000 0.240 192 K C -1.129 175.536 176.600 0.108 0.000 0.989 192 K CA -0.379 55.968 56.287 0.100 0.000 0.985 192 K CB 0.442 33.006 32.500 0.106 0.000 1.221 192 K HN 0.685 nan 8.250 nan 0.000 0.458 193 V N 0.753 120.736 119.914 0.115 0.000 3.133 193 V HA 0.567 4.686 4.120 -0.001 0.000 0.305 193 V C 0.584 176.766 176.094 0.146 0.000 1.084 193 V CA -0.899 61.474 62.300 0.120 0.000 1.089 193 V CB 0.720 32.620 31.823 0.129 0.000 1.073 193 V HN 0.644 nan 8.190 nan 0.000 0.477 194 A N 2.305 125.222 122.820 0.161 0.000 2.477 194 A HA 0.294 4.613 4.320 -0.001 0.000 0.246 194 A C 1.325 179.038 177.584 0.215 0.000 1.078 194 A CA 0.242 52.405 52.037 0.210 0.000 0.770 194 A CB 0.026 19.209 19.000 0.304 0.000 1.011 194 A HN 1.117 nan 8.150 nan 0.000 0.494 195 E N 2.186 122.489 120.200 0.173 0.000 2.204 195 E HA -0.276 4.073 4.350 -0.001 0.000 0.195 195 E C 1.019 177.784 176.600 0.274 0.000 0.990 195 E CA 1.734 58.223 56.400 0.148 0.000 0.821 195 E CB -0.247 29.471 29.700 0.030 0.000 0.750 195 E HN 0.831 nan 8.360 nan 0.000 0.477 196 Q N 0.763 120.663 119.800 0.168 0.000 2.187 196 Q HA 0.004 4.344 4.340 -0.001 0.000 0.199 196 Q C 0.688 176.760 176.000 0.119 0.000 0.957 196 Q CA 1.665 57.517 55.803 0.081 0.000 0.857 196 Q CB 0.403 29.065 28.738 -0.127 0.000 0.929 196 Q HN 0.445 nan 8.270 nan 0.000 0.453 197 T N -3.074 111.585 114.554 0.175 0.000 3.418 197 T HA 0.312 4.661 4.350 -0.001 0.000 0.315 197 T C -2.472 172.318 174.700 0.150 0.000 1.447 197 T CA -1.373 60.811 62.100 0.140 0.000 1.641 197 T CB 1.276 70.224 68.868 0.134 0.000 0.904 197 T HN -0.038 nan 8.240 nan 0.000 0.640 198 P HA 0.221 nan 4.420 nan 0.000 0.238 198 P C 1.672 179.044 177.300 0.120 0.000 1.183 198 P CA -0.138 63.068 63.100 0.177 0.000 0.813 198 P CB 0.393 32.257 31.700 0.273 0.000 0.944 199 L N 0.708 121.976 121.223 0.075 0.000 1.971 199 L HA -0.178 4.162 4.340 -0.001 0.000 0.215 199 L C 2.836 179.755 176.870 0.082 0.000 1.072 199 L CA 2.924 57.793 54.840 0.048 0.000 0.758 199 L CB -2.403 39.654 42.059 -0.003 0.000 0.889 199 L HN 0.110 nan 8.230 nan 0.000 0.433 200 T N -1.841 112.746 114.554 0.055 0.000 2.720 200 T HA -0.184 4.166 4.350 -0.001 0.000 0.268 200 T C 1.973 176.752 174.700 0.133 0.000 1.037 200 T CA 1.153 63.296 62.100 0.072 0.000 1.144 200 T CB -0.520 68.357 68.868 0.015 0.000 0.864 200 T HN 0.352 nan 8.240 nan 0.000 0.444 201 A N 1.842 124.724 122.820 0.103 0.000 1.908 201 A HA 0.115 4.435 4.320 -0.001 0.000 0.218 201 A C 2.494 180.140 177.584 0.103 0.000 1.181 201 A CA 1.547 53.636 52.037 0.087 0.000 0.627 201 A CB -0.936 18.111 19.000 0.080 0.000 0.818 201 A HN 0.566 nan 8.150 nan 0.000 0.445 202 L N -2.379 118.943 121.223 0.166 0.000 2.046 202 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 202 L C 2.593 179.638 176.870 0.291 0.000 1.077 202 L CA 1.753 56.754 54.840 0.268 0.000 0.747 202 L CB -0.696 41.505 42.059 0.235 0.000 0.896 202 L HN 0.567 nan 8.230 nan 0.000 0.432 203 Y N 0.327 120.721 120.300 0.156 0.000 2.224 203 Y HA -0.221 4.329 4.550 -0.001 0.000 0.289 203 Y C 2.395 178.383 175.900 0.147 0.000 1.146 203 Y CA 1.416 59.641 58.100 0.207 0.000 1.182 203 Y CB -0.163 38.465 38.460 0.280 0.000 0.983 203 Y HN -0.160 nan 8.280 nan 0.000 0.524 204 V N 0.271 120.261 119.914 0.126 0.000 2.407 204 V HA -0.339 3.780 4.120 -0.001 0.000 0.248 204 V C 2.639 178.613 176.094 -0.199 0.000 1.055 204 V CA 1.653 63.949 62.300 -0.006 0.000 1.049 204 V CB -1.496 30.341 31.823 0.023 0.000 0.662 204 V HN 0.576 nan 8.190 nan 0.000 0.455 205 A N 0.192 122.821 122.820 -0.319 0.000 1.940 205 A HA -0.286 4.033 4.320 -0.001 0.000 0.219 205 A C 2.057 179.196 177.584 -0.740 0.000 1.176 205 A CA 2.325 53.857 52.037 -0.842 0.000 0.631 205 A CB -0.766 17.357 19.000 -1.462 0.000 0.814 205 A HN 0.579 nan 8.150 nan 0.000 0.446 206 N N -0.155 118.357 118.700 -0.313 0.000 2.166 206 N HA -0.049 4.691 4.740 -0.001 0.000 0.186 206 N C 1.522 176.947 175.510 -0.142 0.000 1.019 206 N CA 1.244 54.237 53.050 -0.095 0.000 0.856 206 N CB -0.328 38.101 38.487 -0.095 0.000 0.993 206 N HN 0.508 nan 8.380 nan 0.000 0.426 207 L N -0.181 120.912 121.223 -0.216 0.000 2.156 207 L HA -0.018 4.322 4.340 -0.001 0.000 0.208 207 L C 1.907 178.767 176.870 -0.018 0.000 1.095 207 L CA 0.559 55.341 54.840 -0.097 0.000 0.770 207 L CB -0.266 41.760 42.059 -0.056 0.000 0.914 207 L HN 0.196 nan 8.230 nan 0.000 0.439 208 I N 0.154 120.667 120.570 -0.094 0.000 2.226 208 I HA -0.307 3.863 4.170 -0.001 0.000 0.245 208 I C 2.724 178.925 176.117 0.140 0.000 1.100 208 I CA 1.335 62.590 61.300 -0.075 0.000 1.374 208 I CB -0.225 37.587 38.000 -0.315 0.000 1.057 208 I HN 0.258 nan 8.210 nan 0.000 0.413 209 K N 1.220 121.689 120.400 0.116 0.000 2.025 209 K HA -0.247 4.073 4.320 -0.001 0.000 0.207 209 K C 2.097 178.776 176.600 0.131 0.000 1.049 209 K CA 1.663 58.053 56.287 0.172 0.000 0.933 209 K CB -0.118 32.502 32.500 0.199 0.000 0.714 209 K HN 0.236 nan 8.250 nan 0.000 0.438 210 E N -0.101 120.155 120.200 0.093 0.000 2.153 210 E HA -0.174 4.175 4.350 -0.001 0.000 0.194 210 E C 1.657 178.315 176.600 0.097 0.000 0.988 210 E CA 0.914 57.359 56.400 0.075 0.000 0.811 210 E CB -0.089 29.636 29.700 0.043 0.000 0.746 210 E HN 0.467 nan 8.360 nan 0.000 0.466 211 A N 0.027 122.937 122.820 0.150 0.000 2.015 211 A HA 0.025 4.344 4.320 -0.001 0.000 0.219 211 A C 1.873 179.507 177.584 0.084 0.000 1.163 211 A CA 1.493 53.630 52.037 0.166 0.000 0.646 211 A CB -0.411 18.794 19.000 0.342 0.000 0.806 211 A HN 0.513 nan 8.150 nan 0.000 0.448 212 G N -3.057 105.810 108.800 0.112 0.000 2.175 212 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.182 212 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.182 212 G C -0.052 174.846 174.900 -0.002 0.000 1.003 212 G CA -0.241 44.880 45.100 0.035 0.000 0.666 212 G HN 0.258 nan 8.290 nan 0.000 0.506 213 F N 1.836 121.788 119.950 0.003 0.000 2.538 213 F HA 0.412 4.939 4.527 -0.001 0.000 0.371 213 F C -1.187 174.570 175.800 -0.072 0.000 1.087 213 F CA -1.407 56.558 58.000 -0.058 0.000 1.250 213 F CB 0.562 39.483 39.000 -0.130 0.000 1.110 213 F HN -0.098 nan 8.300 nan 0.000 0.570 214 P HA 0.043 nan 4.420 nan 0.000 0.267 214 P C -2.534 174.743 177.300 -0.039 0.000 1.200 214 P CA -0.804 62.313 63.100 0.028 0.000 0.772 214 P CB 0.092 31.837 31.700 0.076 0.000 0.855 215 P HA 0.053 nan 4.420 nan 0.000 0.265 215 P C 0.982 178.211 177.300 -0.119 0.000 1.193 215 P CA 1.296 64.333 63.100 -0.105 0.000 0.765 215 P CB 0.143 31.792 31.700 -0.085 0.000 0.823 216 G N 1.330 110.029 108.800 -0.169 0.000 2.241 216 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.244 216 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.244 216 G C 1.066 175.867 174.900 -0.165 0.000 0.998 216 G CA 0.265 45.277 45.100 -0.146 0.000 0.621 216 G HN 0.395 nan 8.290 nan 0.000 0.519 217 V N -0.007 119.757 119.914 -0.250 0.000 2.295 217 V HA 0.035 4.155 4.120 -0.001 0.000 0.246 217 V C 1.485 177.400 176.094 -0.299 0.000 1.049 217 V CA 2.080 64.114 62.300 -0.443 0.000 1.024 217 V CB -0.052 31.311 31.823 -0.766 0.000 0.648 217 V HN 0.443 nan 8.190 nan 0.000 0.447 218 V N 1.405 121.197 119.914 -0.202 0.000 2.483 218 V HA 0.452 4.572 4.120 -0.001 0.000 0.297 218 V C -0.721 175.392 176.094 0.031 0.000 1.027 218 V CA -0.740 61.488 62.300 -0.120 0.000 0.855 218 V CB 1.630 33.340 31.823 -0.187 0.000 0.995 218 V HN 0.429 nan 8.190 nan 0.000 0.424 219 N N 5.301 124.011 118.700 0.017 0.000 2.346 219 N HA 0.612 5.351 4.740 -0.001 0.000 0.289 219 N C -1.262 174.302 175.510 0.090 0.000 1.027 219 N CA -0.437 52.650 53.050 0.063 0.000 0.864 219 N CB 2.957 41.417 38.487 -0.045 0.000 1.370 219 N HN 0.503 nan 8.380 nan 0.000 0.481 220 I N 1.911 122.586 120.570 0.175 0.000 2.362 220 I HA 0.299 4.469 4.170 -0.001 0.000 0.289 220 I C -0.292 175.924 176.117 0.166 0.000 0.994 220 I CA -0.897 60.486 61.300 0.139 0.000 1.158 220 I CB 1.910 39.981 38.000 0.118 0.000 1.315 220 I HN 0.067 nan 8.210 nan 0.000 0.451 221 V N 8.428 128.419 119.914 0.128 0.000 2.284 221 V HA 0.284 4.403 4.120 -0.001 0.000 0.274 221 V C -2.053 174.126 176.094 0.142 0.000 1.023 221 V CA -1.566 60.812 62.300 0.129 0.000 0.808 221 V CB 1.066 32.938 31.823 0.081 0.000 1.035 221 V HN 0.573 nan 8.190 nan 0.000 0.445 222 P HA 0.538 nan 4.420 nan 0.000 0.275 222 P C 0.185 177.588 177.300 0.172 0.000 1.228 222 P CA 0.557 63.803 63.100 0.244 0.000 0.786 222 P CB 2.031 33.943 31.700 0.353 0.000 0.927 223 G N 1.092 109.882 108.800 -0.016 0.000 2.333 223 G HA2 0.257 4.216 3.960 -0.001 0.000 0.288 223 G HA3 0.257 4.216 3.960 -0.001 0.000 0.288 223 G C -1.405 173.319 174.900 -0.293 0.000 1.286 223 G CA -0.895 43.980 45.100 -0.375 0.000 0.865 223 G HN 0.309 nan 8.290 nan 0.000 0.506 224 F N 0.440 120.241 119.950 -0.247 0.000 2.368 224 F HA 0.480 5.007 4.527 -0.001 0.000 0.315 224 F C 1.918 177.682 175.800 -0.060 0.000 1.145 224 F CA -0.241 57.657 58.000 -0.170 0.000 1.095 224 F CB 1.371 40.283 39.000 -0.147 0.000 1.286 224 F HN 0.649 nan 8.300 nan 0.000 0.530 225 G N 0.554 109.471 108.800 0.195 0.000 2.424 225 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.214 225 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.214 225 G C -1.086 173.869 174.900 0.092 0.000 1.202 225 G CA 0.450 45.627 45.100 0.128 0.000 0.793 225 G HN 0.416 nan 8.290 nan 0.000 0.534 226 P HA -0.054 nan 4.420 nan 0.000 0.221 226 P C 1.870 179.204 177.300 0.057 0.000 1.145 226 P CA 2.073 65.203 63.100 0.050 0.000 0.795 226 P CB -0.014 31.710 31.700 0.040 0.000 0.775 227 T N -3.784 110.821 114.554 0.085 0.000 3.246 227 T HA 0.252 4.602 4.350 -0.001 0.000 0.231 227 T C 1.959 176.685 174.700 0.043 0.000 0.986 227 T CA 0.618 62.754 62.100 0.060 0.000 1.340 227 T CB -1.156 67.749 68.868 0.061 0.000 1.063 227 T HN -0.095 nan 8.240 nan 0.000 0.427 228 A N 1.744 124.588 122.820 0.040 0.000 1.873 228 A HA 0.292 4.612 4.320 -0.001 0.000 0.215 228 A C 2.646 180.267 177.584 0.061 0.000 1.186 228 A CA 1.810 53.872 52.037 0.041 0.000 0.616 228 A CB -1.697 17.319 19.000 0.027 0.000 0.823 228 A HN 0.664 nan 8.150 nan 0.000 0.442 229 G N -0.485 108.359 108.800 0.074 0.000 2.421 229 G HA2 0.007 3.967 3.960 -0.001 0.000 0.216 229 G HA3 0.007 3.967 3.960 -0.001 0.000 0.216 229 G C 1.723 176.654 174.900 0.051 0.000 1.171 229 G CA 1.427 46.576 45.100 0.082 0.000 0.775 229 G HN 0.815 nan 8.290 nan 0.000 0.543 230 A N 0.938 123.778 122.820 0.034 0.000 2.015 230 A HA 0.364 4.684 4.320 -0.001 0.000 0.219 230 A C 2.742 180.339 177.584 0.022 0.000 1.163 230 A CA 1.952 53.995 52.037 0.011 0.000 0.646 230 A CB -0.551 18.451 19.000 0.003 0.000 0.806 230 A HN 0.721 nan 8.150 nan 0.000 0.448 231 A N 0.033 122.875 122.820 0.038 0.000 1.930 231 A HA -0.038 4.281 4.320 -0.001 0.000 0.217 231 A C 2.087 179.730 177.584 0.098 0.000 1.175 231 A CA 1.428 53.494 52.037 0.048 0.000 0.627 231 A CB -0.485 18.545 19.000 0.051 0.000 0.815 231 A HN 0.496 nan 8.150 nan 0.000 0.443 232 I N -0.490 120.137 120.570 0.095 0.000 2.233 232 I HA -0.214 3.955 4.170 -0.001 0.000 0.243 232 I C 2.972 179.142 176.117 0.089 0.000 1.093 232 I CA 0.999 62.362 61.300 0.104 0.000 1.380 232 I CB -0.423 37.623 38.000 0.077 0.000 1.067 232 I HN 0.350 nan 8.210 nan 0.000 0.413 233 A N -0.203 122.648 122.820 0.053 0.000 1.933 233 A HA -0.164 4.156 4.320 -0.001 0.000 0.218 233 A C 2.346 179.947 177.584 0.028 0.000 1.175 233 A CA 2.038 54.089 52.037 0.023 0.000 0.628 233 A CB -0.469 18.518 19.000 -0.023 0.000 0.814 233 A HN 0.375 nan 8.150 nan 0.000 0.444 234 S N -1.249 114.471 115.700 0.034 0.000 2.556 234 S HA 0.086 4.555 4.470 -0.001 0.000 0.216 234 S C 0.605 175.232 174.600 0.045 0.000 0.970 234 S CA -0.531 57.682 58.200 0.021 0.000 0.912 234 S CB -0.266 62.929 63.200 -0.007 0.000 0.790 234 S HN 0.671 nan 8.310 nan 0.000 0.504 235 H N 2.728 121.795 119.070 -0.005 0.000 2.972 235 H HA 0.050 4.606 4.556 -0.001 0.000 0.343 235 H C 0.958 176.285 175.328 -0.003 0.000 1.054 235 H CA 0.643 56.689 56.048 -0.002 0.000 1.412 235 H CB 0.646 30.408 29.762 0.000 0.000 1.385 235 H HN 0.140 nan 8.280 nan 0.000 0.600 236 E N 2.840 123.192 120.200 0.253 0.000 2.427 236 E HA -0.106 4.243 4.350 -0.001 0.000 0.196 236 E C 0.685 177.419 176.600 0.222 0.000 1.028 236 E CA 0.637 57.147 56.400 0.183 0.000 0.864 236 E CB 0.286 30.027 29.700 0.069 0.000 0.813 236 E HN 0.583 nan 8.360 nan 0.000 0.514 237 D N -0.343 120.273 120.400 0.361 0.000 2.431 237 D HA 0.033 4.672 4.640 -0.001 0.000 0.213 237 D C -0.527 175.720 176.300 -0.088 0.000 1.130 237 D CA -0.014 54.026 54.000 0.066 0.000 0.834 237 D CB 0.670 41.496 40.800 0.044 0.000 0.985 237 D HN -0.219 nan 8.370 nan 0.000 0.504 238 V N 1.825 121.692 119.914 -0.078 0.000 2.406 238 V HA 0.134 4.254 4.120 -0.001 0.000 0.272 238 V C 0.947 177.017 176.094 -0.040 0.000 1.043 238 V CA -0.321 61.921 62.300 -0.096 0.000 0.915 238 V CB 1.626 33.410 31.823 -0.066 0.000 0.988 238 V HN 0.081 nan 8.190 nan 0.000 0.466 239 D N 2.883 123.247 120.400 -0.061 0.000 2.194 239 D HA 0.026 4.666 4.640 -0.001 0.000 0.204 239 D C 0.829 177.110 176.300 -0.032 0.000 0.964 239 D CA 1.031 55.004 54.000 -0.045 0.000 0.846 239 D CB 0.609 41.365 40.800 -0.073 0.000 0.962 239 D HN 0.389 nan 8.370 nan 0.000 0.490 240 K N 0.574 120.959 120.400 -0.025 0.000 2.527 240 K HA 0.383 4.703 4.320 -0.001 0.000 0.260 240 K C -1.975 174.635 176.600 0.016 0.000 0.937 240 K CA -0.598 55.681 56.287 -0.014 0.000 0.826 240 K CB 3.130 35.617 32.500 -0.021 0.000 1.359 240 K HN -0.165 nan 8.250 nan 0.000 0.434 241 V N 2.234 122.157 119.914 0.016 0.000 2.577 241 V HA 0.768 4.887 4.120 -0.001 0.000 0.303 241 V C -1.334 174.803 176.094 0.071 0.000 1.042 241 V CA -0.433 61.900 62.300 0.055 0.000 0.872 241 V CB 1.543 33.396 31.823 0.050 0.000 0.998 241 V HN 0.873 nan 8.190 nan 0.000 0.423 242 A N 6.567 129.462 122.820 0.126 0.000 2.303 242 A HA 0.874 5.194 4.320 -0.001 0.000 0.320 242 A C -1.301 176.417 177.584 0.224 0.000 1.192 242 A CA -0.443 51.681 52.037 0.145 0.000 0.821 242 A CB 1.008 20.113 19.000 0.175 0.000 1.188 242 A HN 1.106 nan 8.150 nan 0.000 0.492 243 F N 1.669 121.651 119.950 0.054 0.000 2.563 243 F HA 0.749 5.276 4.527 -0.001 0.000 0.316 243 F C -0.401 175.438 175.800 0.064 0.000 1.076 243 F CA -0.118 57.914 58.000 0.053 0.000 0.921 243 F CB 2.487 41.508 39.000 0.035 0.000 1.209 243 F HN 0.429 nan 8.300 nan 0.000 0.462 244 T N 3.927 117.868 114.554 -1.023 0.000 3.031 244 T HA 0.736 5.086 4.350 -0.001 0.000 0.305 244 T C -0.279 173.768 174.700 -1.088 0.000 0.985 244 T CA -0.241 61.425 62.100 -0.722 0.000 1.008 244 T CB 1.108 69.813 68.868 -0.271 0.000 1.005 244 T HN 1.136 nan 8.240 nan 0.000 0.444 245 G N 2.074 110.424 108.800 -0.750 0.000 2.498 245 G HA2 0.468 4.428 3.960 -0.001 0.000 0.181 245 G HA3 0.468 4.428 3.960 -0.001 0.000 0.181 245 G C -0.527 174.335 174.900 -0.062 0.000 1.169 245 G CA -0.137 44.714 45.100 -0.416 0.000 0.992 245 G HN 0.972 nan 8.290 nan 0.000 0.490 246 S N -0.375 115.391 115.700 0.109 0.000 2.593 246 S HA 0.458 4.927 4.470 -0.001 0.000 0.269 246 S C 1.245 175.969 174.600 0.207 0.000 1.334 246 S CA 1.027 59.289 58.200 0.104 0.000 1.015 246 S CB 1.350 64.602 63.200 0.086 0.000 0.912 246 S HN 0.765 nan 8.310 nan 0.000 0.541 247 T N 0.851 115.498 114.554 0.155 0.000 2.867 247 T HA -0.078 4.272 4.350 -0.001 0.000 0.268 247 T C 1.617 176.363 174.700 0.077 0.000 1.057 247 T CA 1.470 63.653 62.100 0.137 0.000 1.136 247 T CB -0.426 68.516 68.868 0.123 0.000 0.874 247 T HN 0.833 nan 8.240 nan 0.000 0.466 248 E N 0.682 120.921 120.200 0.064 0.000 2.031 248 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 248 E C 1.953 178.545 176.600 -0.013 0.000 0.994 248 E CA 1.063 57.477 56.400 0.023 0.000 0.800 248 E CB -0.034 29.683 29.700 0.029 0.000 0.752 248 E HN 0.269 nan 8.360 nan 0.000 0.447 249 I N 0.969 121.536 120.570 -0.005 0.000 2.493 249 I HA -0.102 4.067 4.170 -0.001 0.000 0.254 249 I C 2.486 178.387 176.117 -0.360 0.000 1.160 249 I CA 1.213 62.425 61.300 -0.147 0.000 1.445 249 I CB -1.639 36.311 38.000 -0.083 0.000 1.086 249 I HN 0.239 nan 8.210 nan 0.000 0.433 250 G N 1.112 109.805 108.800 -0.177 0.000 2.440 250 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.218 250 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.218 250 G C 1.904 176.722 174.900 -0.138 0.000 1.154 250 G CA 0.430 45.439 45.100 -0.151 0.000 0.767 250 G HN 0.317 nan 8.290 nan 0.000 0.552 251 R N -0.266 120.183 120.500 -0.086 0.000 2.081 251 R HA -0.010 4.329 4.340 -0.001 0.000 0.235 251 R C 2.679 178.921 176.300 -0.097 0.000 1.131 251 R CA 1.165 57.222 56.100 -0.071 0.000 0.960 251 R CB -0.615 29.656 30.300 -0.049 0.000 0.856 251 R HN 0.287 nan 8.270 nan 0.000 0.436 252 V N 1.491 121.330 119.914 -0.125 0.000 2.287 252 V HA -0.259 3.861 4.120 -0.001 0.000 0.248 252 V C 2.300 178.304 176.094 -0.149 0.000 1.053 252 V CA 1.544 63.770 62.300 -0.125 0.000 1.027 252 V CB -0.452 31.294 31.823 -0.129 0.000 0.646 252 V HN 0.261 nan 8.190 nan 0.000 0.447 253 I N -0.080 120.348 120.570 -0.238 0.000 2.179 253 I HA -0.251 3.919 4.170 -0.001 0.000 0.242 253 I C 2.553 178.597 176.117 -0.122 0.000 1.088 253 I CA 1.828 62.995 61.300 -0.223 0.000 1.357 253 I CB -1.185 36.589 38.000 -0.378 0.000 1.051 253 I HN 0.390 nan 8.210 nan 0.000 0.409 254 Q N 0.868 120.606 119.800 -0.105 0.000 2.084 254 Q HA -0.111 4.228 4.340 -0.001 0.000 0.202 254 Q C 2.237 178.205 176.000 -0.053 0.000 0.978 254 Q CA 1.550 57.316 55.803 -0.062 0.000 0.844 254 Q CB -0.236 28.472 28.738 -0.050 0.000 0.898 254 Q HN 0.322 nan 8.270 nan 0.000 0.426 255 V N 0.374 120.253 119.914 -0.058 0.000 2.427 255 V HA -0.197 3.923 4.120 -0.001 0.000 0.248 255 V C 2.196 178.264 176.094 -0.042 0.000 1.051 255 V CA 1.583 63.855 62.300 -0.046 0.000 1.048 255 V CB -1.066 30.730 31.823 -0.046 0.000 0.666 255 V HN 0.496 nan 8.190 nan 0.000 0.456 256 A N 0.002 122.792 122.820 -0.050 0.000 1.933 256 A HA -0.098 4.221 4.320 -0.001 0.000 0.218 256 A C 2.389 179.957 177.584 -0.027 0.000 1.175 256 A CA 1.996 54.010 52.037 -0.039 0.000 0.628 256 A CB -0.633 18.339 19.000 -0.047 0.000 0.814 256 A HN 0.556 nan 8.150 nan 0.000 0.444 257 A N -0.643 122.160 122.820 -0.030 0.000 1.929 257 A HA 0.194 4.514 4.320 -0.001 0.000 0.216 257 A C 2.337 179.910 177.584 -0.017 0.000 1.176 257 A CA 1.709 53.735 52.037 -0.019 0.000 0.628 257 A CB -1.148 17.838 19.000 -0.022 0.000 0.816 257 A HN 0.689 nan 8.150 nan 0.000 0.444 258 G N -1.248 107.539 108.800 -0.023 0.000 2.448 258 G HA2 -0.003 3.956 3.960 -0.001 0.000 0.218 258 G HA3 -0.003 3.956 3.960 -0.001 0.000 0.218 258 G C 1.642 176.531 174.900 -0.018 0.000 1.135 258 G CA 1.130 46.218 45.100 -0.021 0.000 0.784 258 G HN 0.471 nan 8.290 nan 0.000 0.543 259 S N 0.266 115.954 115.700 -0.019 0.000 2.470 259 S HA 0.014 4.484 4.470 -0.001 0.000 0.225 259 S C 2.416 177.009 174.600 -0.012 0.000 1.006 259 S CA 0.963 59.153 58.200 -0.017 0.000 0.934 259 S CB 0.043 63.231 63.200 -0.020 0.000 0.778 259 S HN 0.612 nan 8.310 nan 0.000 0.517 260 S N 3.416 119.111 115.700 -0.009 0.000 2.720 260 S HA 0.076 4.545 4.470 -0.001 0.000 0.161 260 S C 1.003 175.606 174.600 0.004 0.000 0.936 260 S CA 0.278 58.477 58.200 -0.001 0.000 1.419 260 S CB -0.613 62.591 63.200 0.008 0.000 0.608 260 S HN 0.503 nan 8.310 nan 0.000 0.465 261 N N 1.360 120.068 118.700 0.013 0.000 2.238 261 N HA 0.247 4.987 4.740 -0.001 0.000 0.222 261 N C 0.143 175.657 175.510 0.006 0.000 1.133 261 N CA -0.139 52.919 53.050 0.014 0.000 0.854 261 N CB -0.613 37.892 38.487 0.030 0.000 1.041 261 N HN 0.626 nan 8.380 nan 0.000 0.510 262 L N -0.279 120.943 121.223 -0.001 0.000 3.717 262 L HA -0.290 4.050 4.340 -0.001 0.000 0.414 262 L C -0.165 176.699 176.870 -0.010 0.000 1.228 262 L CA 0.539 55.374 54.840 -0.008 0.000 0.918 262 L CB -1.605 40.448 42.059 -0.010 0.000 1.865 262 L HN 0.461 nan 8.230 nan 0.000 0.922 263 K N -0.158 120.238 120.400 -0.006 0.000 2.414 263 K HA 0.423 4.743 4.320 -0.001 0.000 0.272 263 K C 0.349 176.936 176.600 -0.021 0.000 0.993 263 K CA -0.704 55.576 56.287 -0.011 0.000 0.964 263 K CB 0.465 32.963 32.500 -0.003 0.000 0.925 263 K HN 0.019 nan 8.250 nan 0.000 0.487 264 R N 1.030 121.511 120.500 -0.031 0.000 2.570 264 R HA 0.155 4.495 4.340 -0.001 0.000 0.277 264 R C -0.571 175.701 176.300 -0.046 0.000 1.039 264 R CA -0.183 55.889 56.100 -0.046 0.000 1.065 264 R CB 0.636 30.897 30.300 -0.065 0.000 0.964 264 R HN 0.449 nan 8.270 nan 0.000 0.428 265 V N 1.549 121.435 119.914 -0.046 0.000 2.656 265 V HA 0.615 4.734 4.120 -0.001 0.000 0.307 265 V C -0.363 175.710 176.094 -0.035 0.000 1.051 265 V CA -0.906 61.375 62.300 -0.030 0.000 0.893 265 V CB 2.155 33.967 31.823 -0.017 0.000 0.999 265 V HN 0.970 nan 8.190 nan 0.000 0.426 266 T N 2.352 116.895 114.554 -0.017 0.000 2.921 266 T HA 0.842 5.192 4.350 -0.001 0.000 0.297 266 T C -1.037 173.702 174.700 0.065 0.000 1.013 266 T CA -0.646 61.447 62.100 -0.011 0.000 0.990 266 T CB 1.464 70.290 68.868 -0.069 0.000 1.023 266 T HN 0.425 nan 8.240 nan 0.000 0.447 267 L N 1.733 123.004 121.223 0.080 0.000 2.354 267 L HA 0.772 5.112 4.340 -0.001 0.000 0.269 267 L C -0.275 176.668 176.870 0.121 0.000 1.005 267 L CA -0.975 53.957 54.840 0.154 0.000 0.819 267 L CB 2.166 44.328 42.059 0.171 0.000 1.311 267 L HN 0.622 nan 8.230 nan 0.000 0.423 268 E N 3.371 123.648 120.200 0.129 0.000 2.460 268 E HA 0.444 4.794 4.350 -0.001 0.000 0.249 268 E C -1.314 175.341 176.600 0.092 0.000 0.962 268 E CA -0.231 56.241 56.400 0.118 0.000 0.787 268 E CB 1.098 30.894 29.700 0.159 0.000 1.341 268 E HN 0.523 nan 8.360 nan 0.000 0.407 269 L N 0.970 122.271 121.223 0.130 0.000 2.874 269 L HA 0.677 5.017 4.340 -0.001 0.000 0.229 269 L C 1.509 178.448 176.870 0.115 0.000 1.200 269 L CA -0.843 54.078 54.840 0.136 0.000 0.976 269 L CB 0.019 42.195 42.059 0.196 0.000 1.887 269 L HN 0.421 nan 8.230 nan 0.000 0.543 270 G N -1.610 107.255 108.800 0.108 0.000 2.485 270 G HA2 0.548 4.507 3.960 -0.001 0.000 0.260 270 G HA3 0.548 4.507 3.960 -0.001 0.000 0.260 270 G C -0.440 174.349 174.900 -0.186 0.000 1.459 270 G CA 0.165 45.241 45.100 -0.040 0.000 1.060 270 G HN 0.884 nan 8.290 nan 0.000 0.546 271 G N -2.372 106.019 108.800 -0.682 0.000 2.466 271 G HA2 0.456 4.415 3.960 -0.001 0.000 0.291 271 G HA3 0.456 4.415 3.960 -0.001 0.000 0.291 271 G C -1.414 173.040 174.900 -0.744 0.000 1.460 271 G CA -0.467 44.136 45.100 -0.828 0.000 0.791 271 G HN 0.571 nan 8.290 nan 0.000 0.505 272 K N 0.623 120.808 120.400 -0.360 0.000 3.309 272 K HA 0.467 4.787 4.320 -0.001 0.000 0.187 272 K C 0.229 176.859 176.600 0.049 0.000 1.085 272 K CA -0.369 55.857 56.287 -0.101 0.000 0.867 272 K CB 0.134 32.665 32.500 0.052 0.000 0.846 272 K HN 0.465 nan 8.250 nan 0.000 0.522 273 S N 3.675 119.423 115.700 0.081 0.000 2.575 273 S HA 0.060 4.530 4.470 -0.001 0.000 0.295 273 S C -2.294 172.434 174.600 0.214 0.000 1.267 273 S CA -0.373 57.935 58.200 0.180 0.000 1.074 273 S CB 0.126 63.507 63.200 0.301 0.000 0.829 273 S HN 0.363 nan 8.310 nan 0.000 0.497 274 P HA 0.213 nan 4.420 nan 0.000 0.290 274 P C -1.058 176.453 177.300 0.352 0.000 1.276 274 P CA -0.682 62.614 63.100 0.325 0.000 0.808 274 P CB 0.586 32.508 31.700 0.371 0.000 0.966 275 N N 3.775 122.677 118.700 0.337 0.000 2.626 275 N HA 0.295 5.035 4.740 -0.001 0.000 0.242 275 N C -0.640 175.057 175.510 0.312 0.000 1.005 275 N CA -0.591 52.663 53.050 0.341 0.000 0.905 275 N CB 0.447 39.037 38.487 0.171 0.000 1.128 275 N HN 0.314 nan 8.380 nan 0.000 0.512 276 I N 4.431 125.185 120.570 0.307 0.000 2.337 276 I HA 0.239 4.409 4.170 -0.001 0.000 0.291 276 I C -0.057 176.247 176.117 0.312 0.000 1.046 276 I CA -0.506 60.931 61.300 0.229 0.000 1.324 276 I CB 0.854 38.856 38.000 0.003 0.000 1.409 276 I HN 0.340 nan 8.210 nan 0.000 0.494 277 I N 7.233 127.985 120.570 0.303 0.000 2.330 277 I HA 0.306 4.476 4.170 -0.001 0.000 0.286 277 I C 0.234 176.556 176.117 0.342 0.000 1.025 277 I CA -0.546 60.912 61.300 0.264 0.000 1.197 277 I CB 0.919 38.887 38.000 -0.053 0.000 1.358 277 I HN 0.484 nan 8.210 nan 0.000 0.467 278 M N 3.761 123.571 119.600 0.350 0.000 2.202 278 M HA 0.139 4.619 4.480 -0.001 0.000 0.316 278 M C 1.687 178.102 176.300 0.192 0.000 1.138 278 M CA -0.025 55.462 55.300 0.312 0.000 1.151 278 M CB 0.532 33.291 32.600 0.265 0.000 1.422 278 M HN 0.656 nan 8.290 nan 0.000 0.471 279 S N 0.271 116.041 115.700 0.117 0.000 2.442 279 S HA -0.151 4.319 4.470 -0.001 0.000 0.236 279 S C 0.817 175.481 174.600 0.107 0.000 1.007 279 S CA 1.311 59.559 58.200 0.079 0.000 0.965 279 S CB -0.520 62.699 63.200 0.030 0.000 0.773 279 S HN 0.745 nan 8.310 nan 0.000 0.504 280 D N 1.688 122.162 120.400 0.124 0.000 2.339 280 D HA 0.361 5.001 4.640 -0.001 0.000 0.217 280 D C 0.662 177.054 176.300 0.154 0.000 1.050 280 D CA 0.207 54.279 54.000 0.119 0.000 0.856 280 D CB -0.367 40.492 40.800 0.099 0.000 0.922 280 D HN 0.524 nan 8.370 nan 0.000 0.518 281 A N 0.495 123.437 122.820 0.204 0.000 2.386 281 A HA 0.212 4.532 4.320 -0.001 0.000 0.246 281 A C -0.094 177.643 177.584 0.255 0.000 1.089 281 A CA -0.313 51.890 52.037 0.276 0.000 0.790 281 A CB 0.039 19.263 19.000 0.374 0.000 1.042 281 A HN 0.170 nan 8.150 nan 0.000 0.497 282 D N 1.142 121.726 120.400 0.307 0.000 2.338 282 D HA 0.244 4.884 4.640 -0.001 0.000 0.255 282 D C 1.084 177.552 176.300 0.280 0.000 1.237 282 D CA -0.226 53.931 54.000 0.262 0.000 0.883 282 D CB 0.339 41.302 40.800 0.271 0.000 1.087 282 D HN 0.435 nan 8.370 nan 0.000 0.485 283 M N 3.500 123.217 119.600 0.195 0.000 2.163 283 M HA -0.230 4.250 4.480 -0.001 0.000 0.258 283 M C 1.124 177.478 176.300 0.090 0.000 1.071 283 M CA 2.004 57.392 55.300 0.146 0.000 1.093 283 M CB -0.371 32.286 32.600 0.095 0.000 1.285 283 M HN 0.484 nan 8.290 nan 0.000 0.420 284 D N -0.879 119.580 120.400 0.097 0.000 2.106 284 D HA -0.256 4.384 4.640 -0.001 0.000 0.191 284 D C 1.716 178.107 176.300 0.152 0.000 0.997 284 D CA 1.736 55.785 54.000 0.081 0.000 0.834 284 D CB -0.666 40.194 40.800 0.100 0.000 0.956 284 D HN 0.661 nan 8.370 nan 0.000 0.448 285 W N 1.433 122.756 121.300 0.037 0.000 2.354 285 W HA -0.209 4.450 4.660 -0.001 0.000 0.315 285 W C 2.240 178.799 176.519 0.067 0.000 1.206 285 W CA 1.530 58.927 57.345 0.087 0.000 1.290 285 W CB -0.198 29.363 29.460 0.168 0.000 1.152 285 W HN 0.011 nan 8.180 nan 0.000 0.489 286 A N 0.456 123.346 122.820 0.118 0.000 1.892 286 A HA -0.230 4.089 4.320 -0.001 0.000 0.218 286 A C 2.022 179.416 177.584 -0.316 0.000 1.188 286 A CA 2.494 54.368 52.037 -0.273 0.000 0.631 286 A CB -1.250 17.804 19.000 0.090 0.000 0.822 286 A HN 0.177 nan 8.150 nan 0.000 0.447 287 V N -0.154 119.578 119.914 -0.302 0.000 2.295 287 V HA -0.251 3.869 4.120 -0.001 0.000 0.246 287 V C 2.623 178.533 176.094 -0.306 0.000 1.049 287 V CA 2.504 64.484 62.300 -0.533 0.000 1.024 287 V CB -0.723 30.761 31.823 -0.565 0.000 0.648 287 V HN 0.716 nan 8.190 nan 0.000 0.447 288 E N -0.241 119.812 120.200 -0.245 0.000 2.072 288 E HA -0.192 4.158 4.350 -0.001 0.000 0.191 288 E C 2.289 178.766 176.600 -0.204 0.000 0.985 288 E CA 1.204 57.490 56.400 -0.190 0.000 0.801 288 E CB -0.201 29.399 29.700 -0.166 0.000 0.750 288 E HN 0.496 nan 8.360 nan 0.000 0.452 289 Q N -0.415 119.130 119.800 -0.424 0.000 2.123 289 Q HA -0.009 4.330 4.340 -0.001 0.000 0.199 289 Q C 2.107 177.984 176.000 -0.205 0.000 0.966 289 Q CA 1.309 56.883 55.803 -0.382 0.000 0.845 289 Q CB -0.304 28.113 28.738 -0.535 0.000 0.907 289 Q HN 0.378 nan 8.270 nan 0.000 0.439 290 A N 0.101 122.768 122.820 -0.255 0.000 1.930 290 A HA -0.220 4.100 4.320 -0.001 0.000 0.217 290 A C 1.909 179.476 177.584 -0.029 0.000 1.175 290 A CA 1.820 53.767 52.037 -0.150 0.000 0.627 290 A CB -0.746 18.292 19.000 0.064 0.000 0.815 290 A HN 0.448 nan 8.150 nan 0.000 0.443 291 H N -1.467 117.593 119.070 -0.015 0.000 2.293 291 H HA -0.165 4.390 4.556 -0.001 0.000 0.300 291 H C 1.712 177.192 175.328 0.254 0.000 1.082 291 H CA 2.276 58.434 56.048 0.183 0.000 1.308 291 H CB -0.433 29.370 29.762 0.070 0.000 1.375 291 H HN 0.470 nan 8.280 nan 0.000 0.495 292 F N 0.721 120.690 119.950 0.031 0.000 2.134 292 F HA -0.161 4.365 4.527 -0.001 0.000 0.299 292 F C 2.533 178.273 175.800 -0.100 0.000 1.097 292 F CA 1.449 59.435 58.000 -0.023 0.000 1.264 292 F CB -0.671 38.273 39.000 -0.092 0.000 1.001 292 F HN 0.294 nan 8.300 nan 0.000 0.479 293 A N 0.206 122.896 122.820 -0.217 0.000 1.986 293 A HA -0.215 4.104 4.320 -0.001 0.000 0.220 293 A C 2.146 179.439 177.584 -0.486 0.000 1.171 293 A CA 2.186 53.860 52.037 -0.605 0.000 0.640 293 A CB -0.969 17.385 19.000 -1.078 0.000 0.811 293 A HN 0.621 nan 8.150 nan 0.000 0.451 294 L N -3.220 117.753 121.223 -0.416 0.000 2.349 294 L HA 0.292 4.631 4.340 -0.001 0.000 0.200 294 L C 1.919 178.468 176.870 -0.535 0.000 1.064 294 L CA 0.594 55.139 54.840 -0.491 0.000 0.821 294 L CB 0.053 41.724 42.059 -0.647 0.000 1.027 294 L HN 0.280 nan 8.230 nan 0.000 0.476 295 F N -0.465 119.288 119.950 -0.329 0.000 2.604 295 F HA -0.020 4.506 4.527 -0.001 0.000 0.298 295 F C 1.016 176.695 175.800 -0.202 0.000 1.131 295 F CA 0.080 57.899 58.000 -0.301 0.000 1.457 295 F CB -0.459 38.256 39.000 -0.476 0.000 1.095 295 F HN -0.056 nan 8.300 nan 0.000 0.574 296 F N 2.085 121.850 119.950 -0.308 0.000 2.629 296 F HA -0.063 4.463 4.527 -0.001 0.000 0.377 296 F C 1.255 176.924 175.800 -0.219 0.000 1.101 296 F CA -0.192 57.597 58.000 -0.352 0.000 1.301 296 F CB 0.148 38.719 39.000 -0.716 0.000 1.062 296 F HN 0.107 nan 8.300 nan 0.000 0.583 297 N N 3.641 121.815 118.700 -0.877 0.000 2.725 297 N HA -0.309 4.431 4.740 -0.001 0.000 0.251 297 N C -0.113 175.116 175.510 -0.467 0.000 1.031 297 N CA 1.361 53.920 53.050 -0.819 0.000 0.720 297 N CB -0.924 36.871 38.487 -1.153 0.000 0.930 297 N HN 0.772 nan 8.380 nan 0.000 0.543 298 Q N -1.969 117.676 119.800 -0.259 0.000 2.480 298 Q HA -0.169 4.171 4.340 -0.001 0.000 0.265 298 Q C 1.227 177.114 176.000 -0.188 0.000 1.072 298 Q CA 2.182 57.896 55.803 -0.147 0.000 1.018 298 Q CB -1.855 26.800 28.738 -0.138 0.000 1.433 298 Q HN 1.218 nan 8.270 nan 0.000 0.513 299 G N -0.979 107.671 108.800 -0.250 0.000 2.175 299 G HA2 -0.401 3.558 3.960 -0.001 0.000 0.265 299 G HA3 -0.401 3.558 3.960 -0.001 0.000 0.265 299 G C 0.174 174.775 174.900 -0.498 0.000 0.979 299 G CA 0.536 45.448 45.100 -0.315 0.000 0.663 299 G HN 0.482 nan 8.290 nan 0.000 0.533 300 Q N -0.134 119.287 119.800 -0.630 0.000 3.170 300 Q HA 0.463 4.802 4.340 -0.001 0.000 0.346 300 Q C 0.160 175.495 176.000 -1.107 0.000 1.333 300 Q CA -0.039 55.042 55.803 -1.203 0.000 0.958 300 Q CB 0.539 28.923 28.738 -0.590 0.000 1.600 300 Q HN 0.408 nan 8.270 nan 0.000 0.482 301 C N -0.251 118.592 119.300 -0.762 0.000 2.441 301 C HA 0.323 4.782 4.460 -0.001 0.000 0.318 301 C C 2.073 177.151 174.990 0.148 0.000 1.222 301 C CA -0.768 58.192 59.018 -0.096 0.000 1.474 301 C CB 0.174 27.987 27.740 0.122 0.000 2.125 301 C HN 0.954 nan 8.230 nan 0.000 0.479 302 C N 1.910 121.429 119.300 0.365 0.000 2.413 302 C HA -0.088 4.372 4.460 -0.001 0.000 0.277 302 C C 2.112 177.322 174.990 0.367 0.000 1.265 302 C CA 1.577 60.846 59.018 0.419 0.000 1.752 302 C CB -2.432 25.528 27.740 0.367 0.000 1.998 302 C HN 0.993 nan 8.230 nan 0.000 0.489 303 C N 1.419 121.001 119.300 0.469 0.000 2.614 303 C HA 0.718 5.178 4.460 -0.001 0.000 0.299 303 C C 1.375 176.671 174.990 0.509 0.000 1.293 303 C CA -0.909 58.430 59.018 0.536 0.000 1.713 303 C CB -2.549 25.689 27.740 0.830 0.000 1.890 303 C HN 0.744 nan 8.230 nan 0.000 0.602 304 A N 1.177 124.186 122.820 0.315 0.000 2.565 304 A HA 0.439 4.759 4.320 -0.001 0.000 0.237 304 A C 1.147 178.816 177.584 0.142 0.000 1.053 304 A CA 0.830 52.966 52.037 0.165 0.000 0.755 304 A CB -0.110 18.881 19.000 -0.015 0.000 0.980 304 A HN 1.097 nan 8.150 nan 0.000 0.506 305 G N 1.799 110.573 108.800 -0.043 0.000 3.008 305 G HA2 0.324 4.284 3.960 -0.001 0.000 0.272 305 G HA3 0.324 4.284 3.960 -0.001 0.000 0.272 305 G C 0.915 175.741 174.900 -0.123 0.000 0.764 305 G CA 0.363 45.409 45.100 -0.090 0.000 2.029 305 G HN 1.163 nan 8.290 nan 0.000 0.587 306 S N 0.706 116.367 115.700 -0.066 0.000 2.607 306 S HA 0.130 4.599 4.470 -0.001 0.000 0.224 306 S C 1.000 175.533 174.600 -0.112 0.000 0.969 306 S CA -0.096 58.038 58.200 -0.111 0.000 0.927 306 S CB 0.341 63.481 63.200 -0.100 0.000 0.772 306 S HN 0.437 nan 8.310 nan 0.000 0.533 307 R N 1.503 121.944 120.500 -0.098 0.000 2.607 307 R HA 0.241 4.581 4.340 -0.001 0.000 0.278 307 R C -1.263 174.900 176.300 -0.228 0.000 1.637 307 R CA -0.085 55.886 56.100 -0.214 0.000 1.325 307 R CB 1.222 31.407 30.300 -0.191 0.000 1.211 307 R HN 0.121 nan 8.270 nan 0.000 0.565 308 T N 3.793 118.223 114.554 -0.206 0.000 2.855 308 T HA 0.218 4.568 4.350 -0.001 0.000 0.290 308 T C -0.092 174.528 174.700 -0.132 0.000 0.941 308 T CA 0.200 62.235 62.100 -0.109 0.000 1.030 308 T CB -0.238 68.601 68.868 -0.050 0.000 0.935 308 T HN 0.168 nan 8.240 nan 0.000 0.564 309 F N 2.765 122.738 119.950 0.039 0.000 2.424 309 F HA 0.439 4.965 4.527 -0.001 0.000 0.356 309 F C 0.355 176.299 175.800 0.239 0.000 1.110 309 F CA -0.649 57.437 58.000 0.143 0.000 1.161 309 F CB 0.903 39.898 39.000 -0.008 0.000 1.115 309 F HN 0.174 nan 8.300 nan 0.000 0.507 310 V N 3.885 124.073 119.914 0.457 0.000 2.531 310 V HA 0.240 4.360 4.120 -0.001 0.000 0.301 310 V C -0.195 175.832 176.094 -0.111 0.000 1.034 310 V CA -1.118 61.251 62.300 0.116 0.000 0.865 310 V CB 1.550 33.206 31.823 -0.278 0.000 0.995 310 V HN 0.561 nan 8.190 nan 0.000 0.424 311 Q N 3.057 122.532 119.800 -0.543 0.000 2.330 311 Q HA 0.027 4.366 4.340 -0.001 0.000 0.279 311 Q C 1.447 177.229 176.000 -0.364 0.000 1.024 311 Q CA 0.382 55.584 55.803 -1.003 0.000 0.900 311 Q CB 1.172 29.513 28.738 -0.662 0.000 1.221 311 Q HN 1.027 nan 8.270 nan 0.000 0.396 312 E N 2.784 122.783 120.200 -0.335 0.000 2.114 312 E HA -0.278 4.072 4.350 -0.001 0.000 0.199 312 E C 0.350 176.935 176.600 -0.026 0.000 1.008 312 E CA 1.806 58.127 56.400 -0.131 0.000 0.810 312 E CB -0.003 29.608 29.700 -0.148 0.000 0.739 312 E HN 0.553 nan 8.360 nan 0.000 0.456 313 D N 1.037 121.406 120.400 -0.052 0.000 2.221 313 D HA -0.121 4.519 4.640 -0.001 0.000 0.204 313 D C 1.997 178.321 176.300 0.040 0.000 0.982 313 D CA 1.570 55.568 54.000 -0.002 0.000 0.857 313 D CB -0.089 40.705 40.800 -0.010 0.000 0.934 313 D HN 0.656 nan 8.370 nan 0.000 0.475 314 I N -3.720 116.880 120.570 0.051 0.000 4.154 314 I HA 0.190 4.360 4.170 -0.001 0.000 0.334 314 I C 1.746 177.948 176.117 0.142 0.000 1.371 314 I CA -0.548 60.810 61.300 0.096 0.000 1.110 314 I CB -0.050 38.015 38.000 0.108 0.000 1.085 314 I HN -0.223 nan 8.210 nan 0.000 0.398 315 Y N 2.833 123.134 120.300 0.002 0.000 2.053 315 Y HA -0.325 4.225 4.550 -0.001 0.000 0.277 315 Y C 2.094 178.053 175.900 0.098 0.000 1.159 315 Y CA 2.373 60.486 58.100 0.022 0.000 1.125 315 Y CB -0.182 38.262 38.460 -0.026 0.000 0.969 315 Y HN 0.209 nan 8.280 nan 0.000 0.492 316 D N 0.097 120.614 120.400 0.195 0.000 2.116 316 D HA -0.239 4.400 4.640 -0.001 0.000 0.193 316 D C 2.109 178.418 176.300 0.015 0.000 0.998 316 D CA 1.878 55.936 54.000 0.097 0.000 0.836 316 D CB -0.481 40.402 40.800 0.138 0.000 0.951 316 D HN 0.633 nan 8.370 nan 0.000 0.449 317 E N -0.664 119.566 120.200 0.049 0.000 2.106 317 E HA -0.160 4.190 4.350 -0.001 0.000 0.192 317 E C 2.104 178.713 176.600 0.014 0.000 0.984 317 E CA 0.368 56.786 56.400 0.030 0.000 0.806 317 E CB -0.192 29.536 29.700 0.046 0.000 0.750 317 E HN 0.230 nan 8.360 nan 0.000 0.458 318 F N 0.656 120.544 119.950 -0.104 0.000 2.102 318 F HA -0.225 4.301 4.527 -0.001 0.000 0.298 318 F C 2.097 177.795 175.800 -0.170 0.000 1.105 318 F CA 1.329 59.255 58.000 -0.123 0.000 1.239 318 F CB -0.120 38.806 39.000 -0.122 0.000 0.991 318 F HN -0.118 nan 8.300 nan 0.000 0.474 319 V N 0.343 120.263 119.914 0.009 0.000 2.343 319 V HA -0.314 3.805 4.120 -0.001 0.000 0.247 319 V C 2.325 178.365 176.094 -0.091 0.000 1.051 319 V CA 2.285 64.531 62.300 -0.090 0.000 1.036 319 V CB -0.751 30.895 31.823 -0.296 0.000 0.654 319 V HN 0.429 nan 8.190 nan 0.000 0.451 320 E N 0.150 120.299 120.200 -0.085 0.000 2.077 320 E HA -0.261 4.088 4.350 -0.001 0.000 0.193 320 E C 2.440 178.976 176.600 -0.107 0.000 0.989 320 E CA 1.468 57.824 56.400 -0.073 0.000 0.800 320 E CB -0.022 29.649 29.700 -0.048 0.000 0.746 320 E HN 0.517 nan 8.360 nan 0.000 0.452 321 R N -0.154 120.253 120.500 -0.154 0.000 2.092 321 R HA -0.014 4.326 4.340 -0.001 0.000 0.231 321 R C 2.622 178.780 176.300 -0.236 0.000 1.119 321 R CA 1.347 57.327 56.100 -0.200 0.000 0.970 321 R CB -0.093 30.058 30.300 -0.249 0.000 0.864 321 R HN 0.029 nan 8.270 nan 0.000 0.440 322 S N 0.077 115.618 115.700 -0.266 0.000 2.368 322 S HA -0.099 4.371 4.470 -0.001 0.000 0.225 322 S C 2.032 176.573 174.600 -0.098 0.000 1.030 322 S CA 1.149 59.234 58.200 -0.191 0.000 0.999 322 S CB -0.101 63.029 63.200 -0.118 0.000 0.844 322 S HN 0.062 nan 8.310 nan 0.000 0.459 323 V N 1.996 121.861 119.914 -0.083 0.000 2.295 323 V HA -0.214 3.905 4.120 -0.001 0.000 0.246 323 V C 2.641 178.676 176.094 -0.099 0.000 1.049 323 V CA 1.755 64.017 62.300 -0.065 0.000 1.024 323 V CB -1.178 30.614 31.823 -0.052 0.000 0.648 323 V HN 0.540 nan 8.190 nan 0.000 0.447 324 A N 0.139 122.889 122.820 -0.117 0.000 1.908 324 A HA -0.274 4.046 4.320 -0.001 0.000 0.218 324 A C 2.294 179.773 177.584 -0.174 0.000 1.181 324 A CA 2.238 54.199 52.037 -0.126 0.000 0.627 324 A CB -0.536 18.395 19.000 -0.117 0.000 0.818 324 A HN 0.458 nan 8.150 nan 0.000 0.445 325 R N 0.129 120.487 120.500 -0.235 0.000 2.075 325 R HA 0.009 4.349 4.340 -0.001 0.000 0.232 325 R C 2.162 178.199 176.300 -0.438 0.000 1.126 325 R CA 1.902 57.771 56.100 -0.384 0.000 0.963 325 R CB -0.912 29.082 30.300 -0.510 0.000 0.858 325 R HN 0.391 nan 8.270 nan 0.000 0.435 326 A N 0.648 123.294 122.820 -0.289 0.000 1.902 326 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 326 A C 1.991 179.454 177.584 -0.202 0.000 1.181 326 A CA 1.669 53.560 52.037 -0.244 0.000 0.623 326 A CB -0.409 18.508 19.000 -0.139 0.000 0.818 326 A HN 0.371 nan 8.150 nan 0.000 0.443 327 K N 0.318 120.628 120.400 -0.151 0.000 2.209 327 K HA -0.102 4.217 4.320 -0.001 0.000 0.204 327 K C 2.121 178.652 176.600 -0.115 0.000 1.048 327 K CA 1.490 57.709 56.287 -0.114 0.000 0.940 327 K CB -0.142 32.303 32.500 -0.090 0.000 0.729 327 K HN 0.660 nan 8.250 nan 0.000 0.451 328 S N 0.525 116.140 115.700 -0.142 0.000 2.558 328 S HA -0.019 4.450 4.470 -0.001 0.000 0.217 328 S C 0.845 175.373 174.600 -0.120 0.000 0.975 328 S CA -0.244 57.882 58.200 -0.124 0.000 0.912 328 S CB -0.042 63.077 63.200 -0.135 0.000 0.776 328 S HN 0.128 nan 8.310 nan 0.000 0.526 329 R N 2.141 122.555 120.500 -0.142 0.000 2.399 329 R HA 0.204 4.544 4.340 -0.001 0.000 0.324 329 R C -0.915 175.350 176.300 -0.059 0.000 1.030 329 R CA -0.143 55.899 56.100 -0.098 0.000 0.984 329 R CB 0.064 30.291 30.300 -0.123 0.000 0.961 329 R HN 0.188 nan 8.270 nan 0.000 0.433 330 V N 6.231 126.125 119.914 -0.033 0.000 2.485 330 V HA 0.053 4.173 4.120 -0.001 0.000 0.287 330 V C 0.274 176.366 176.094 -0.004 0.000 1.022 330 V CA -0.051 62.235 62.300 -0.024 0.000 1.067 330 V CB 1.046 32.860 31.823 -0.015 0.000 0.967 330 V HN 0.437 nan 8.190 nan 0.000 0.479 331 V N 4.673 124.575 119.914 -0.019 0.000 2.513 331 V HA 1.025 5.145 4.120 -0.001 0.000 0.299 331 V C 0.615 176.642 176.094 -0.111 0.000 1.035 331 V CA 0.532 62.832 62.300 -0.000 0.000 0.889 331 V CB 1.131 32.968 31.823 0.022 0.000 0.988 331 V HN 1.190 nan 8.190 nan 0.000 0.440 332 G N 3.240 111.967 108.800 -0.122 0.000 2.367 332 G HA2 0.093 4.052 3.960 -0.001 0.000 0.272 332 G HA3 0.093 4.052 3.960 -0.001 0.000 0.272 332 G C -0.954 173.919 174.900 -0.045 0.000 1.271 332 G CA -0.788 44.125 45.100 -0.312 0.000 0.893 332 G HN 0.683 nan 8.290 nan 0.000 0.485 333 N N 2.226 120.912 118.700 -0.024 0.000 2.374 333 N HA 0.148 4.888 4.740 -0.001 0.000 0.269 333 N C -0.443 175.156 175.510 0.148 0.000 1.310 333 N CA -0.853 52.277 53.050 0.134 0.000 0.877 333 N CB 1.259 39.806 38.487 0.100 0.000 1.096 333 N HN 0.179 nan 8.380 nan 0.000 0.484 334 P HA -0.147 nan 4.420 nan 0.000 0.221 334 P C 0.791 178.042 177.300 -0.081 0.000 1.145 334 P CA 1.232 64.331 63.100 -0.002 0.000 0.795 334 P CB -0.042 31.593 31.700 -0.109 0.000 0.775 335 F N -0.118 119.878 119.950 0.076 0.000 2.780 335 F HA 0.073 4.599 4.527 -0.000 0.000 0.299 335 F C 0.844 176.665 175.800 0.036 0.000 1.146 335 F CA 0.171 58.195 58.000 0.041 0.000 1.428 335 F CB -0.280 38.697 39.000 -0.039 0.000 1.115 335 F HN -0.202 nan 8.300 nan 0.000 0.583 336 D N -0.354 120.152 120.400 0.177 0.000 2.277 336 D HA 0.041 4.680 4.640 -0.001 0.000 0.249 336 D C 1.370 177.730 176.300 0.100 0.000 1.134 336 D CA 0.117 54.184 54.000 0.112 0.000 0.863 336 D CB 1.460 42.301 40.800 0.068 0.000 1.143 336 D HN 0.026 nan 8.370 nan 0.000 0.458 337 S N 2.608 118.366 115.700 0.096 0.000 2.440 337 S HA -0.217 4.253 4.470 -0.001 0.000 0.240 337 S C 1.304 175.942 174.600 0.064 0.000 1.014 337 S CA 1.000 59.254 58.200 0.090 0.000 0.980 337 S CB -0.028 63.219 63.200 0.078 0.000 0.775 337 S HN 0.387 nan 8.310 nan 0.000 0.499 338 K N 0.788 121.217 120.400 0.048 0.000 2.400 338 K HA 0.116 4.435 4.320 -0.001 0.000 0.194 338 K C 0.007 176.626 176.600 0.032 0.000 1.033 338 K CA 0.342 56.648 56.287 0.032 0.000 1.021 338 K CB -0.009 32.500 32.500 0.015 0.000 0.808 338 K HN 0.311 nan 8.250 nan 0.000 0.505 339 T N 1.789 116.369 114.554 0.043 0.000 2.834 339 T HA 0.044 4.394 4.350 -0.001 0.000 0.298 339 T C 0.798 175.533 174.700 0.057 0.000 0.966 339 T CA 0.228 62.356 62.100 0.045 0.000 1.141 339 T CB 1.122 70.025 68.868 0.058 0.000 0.905 339 T HN 0.179 nan 8.240 nan 0.000 0.535 340 E N 1.869 122.104 120.200 0.057 0.000 2.251 340 E HA 0.034 4.384 4.350 -0.001 0.000 0.194 340 E C 0.815 177.464 176.600 0.082 0.000 0.964 340 E CA 0.197 56.643 56.400 0.077 0.000 0.868 340 E CB 0.539 30.284 29.700 0.074 0.000 0.828 340 E HN 0.566 nan 8.360 nan 0.000 0.481 341 Q N 0.547 120.395 119.800 0.080 0.000 2.310 341 Q HA 0.416 4.755 4.340 -0.001 0.000 0.270 341 Q C -0.455 175.639 176.000 0.157 0.000 1.025 341 Q CA -0.607 55.252 55.803 0.093 0.000 0.772 341 Q CB 1.704 30.500 28.738 0.097 0.000 1.253 341 Q HN 0.114 nan 8.270 nan 0.000 0.450 342 G N 3.333 112.198 108.800 0.108 0.000 2.509 342 G HA2 0.549 4.508 3.960 -0.001 0.000 0.269 342 G HA3 0.549 4.508 3.960 -0.001 0.000 0.269 342 G C -2.490 172.414 174.900 0.007 0.000 1.416 342 G CA -0.975 44.217 45.100 0.153 0.000 1.052 342 G HN 0.588 nan 8.290 nan 0.000 0.542 343 P HA 0.228 nan 4.420 nan 0.000 0.279 343 P C -0.875 176.262 177.300 -0.271 0.000 1.276 343 P CA -0.451 62.208 63.100 -0.734 0.000 0.801 343 P CB 1.063 32.038 31.700 -1.209 0.000 1.127 344 Q N -0.114 119.609 119.800 -0.128 0.000 2.368 344 Q HA 0.078 4.418 4.340 -0.001 0.000 0.237 344 Q C 1.352 177.256 176.000 -0.159 0.000 0.987 344 Q CA -0.439 55.318 55.803 -0.077 0.000 0.896 344 Q CB 0.427 29.182 28.738 0.028 0.000 1.241 344 Q HN 0.191 nan 8.270 nan 0.000 0.485 345 V N 0.717 120.462 119.914 -0.282 0.000 2.392 345 V HA -0.251 3.869 4.120 -0.001 0.000 0.249 345 V C 0.305 176.165 176.094 -0.390 0.000 1.059 345 V CA 2.795 64.849 62.300 -0.410 0.000 1.051 345 V CB -0.135 31.172 31.823 -0.859 0.000 0.658 345 V HN 1.004 nan 8.190 nan 0.000 0.455 346 D N -3.779 116.327 120.400 -0.490 0.000 2.768 346 D HA 0.121 4.760 4.640 -0.001 0.000 0.327 346 D C 0.627 176.331 176.300 -0.993 0.000 1.302 346 D CA -0.011 53.626 54.000 -0.605 0.000 0.897 346 D CB 0.548 41.070 40.800 -0.464 0.000 1.420 346 D HN -0.021 nan 8.370 nan 0.000 0.494 347 E N -0.688 118.798 120.200 -1.190 0.000 2.077 347 E HA -0.165 4.185 4.350 -0.001 0.000 0.193 347 E C 1.149 177.540 176.600 -0.348 0.000 0.989 347 E CA 1.806 57.622 56.400 -0.973 0.000 0.800 347 E CB -0.112 29.279 29.700 -0.515 0.000 0.746 347 E HN 0.510 nan 8.360 nan 0.000 0.452 348 T N 1.228 115.610 114.554 -0.287 0.000 2.652 348 T HA -0.188 4.162 4.350 -0.001 0.000 0.267 348 T C 1.816 176.451 174.700 -0.108 0.000 1.039 348 T CA 1.371 63.374 62.100 -0.160 0.000 1.153 348 T CB -0.204 68.568 68.868 -0.159 0.000 0.863 348 T HN 0.173 nan 8.240 nan 0.000 0.428 349 Q N 0.033 119.743 119.800 -0.151 0.000 2.079 349 Q HA 0.002 4.342 4.340 -0.001 0.000 0.200 349 Q C 2.081 178.081 176.000 -0.001 0.000 0.974 349 Q CA 1.076 56.848 55.803 -0.052 0.000 0.840 349 Q CB -0.718 27.954 28.738 -0.110 0.000 0.898 349 Q HN 0.577 nan 8.270 nan 0.000 0.430 350 F N 1.904 121.728 119.950 -0.209 0.000 2.065 350 F HA -0.265 4.262 4.527 -0.000 0.000 0.298 350 F C 2.047 177.817 175.800 -0.049 0.000 1.112 350 F CA 1.777 59.702 58.000 -0.126 0.000 1.212 350 F CB 0.056 38.931 39.000 -0.209 0.000 0.975 350 F HN -0.026 nan 8.300 nan 0.000 0.476 351 K N -0.002 120.431 120.400 0.055 0.000 2.097 351 K HA -0.158 4.161 4.320 -0.001 0.000 0.205 351 K C 2.189 178.742 176.600 -0.079 0.000 1.050 351 K CA 1.221 57.497 56.287 -0.019 0.000 0.938 351 K CB -0.204 32.321 32.500 0.040 0.000 0.718 351 K HN 0.196 nan 8.250 nan 0.000 0.442 352 K N 1.009 121.379 120.400 -0.050 0.000 2.057 352 K HA -0.092 4.228 4.320 -0.001 0.000 0.207 352 K C 1.967 178.568 176.600 0.000 0.000 1.049 352 K CA 1.218 57.472 56.287 -0.054 0.000 0.931 352 K CB -0.012 32.506 32.500 0.029 0.000 0.714 352 K HN 0.072 nan 8.250 nan 0.000 0.440 353 I N 1.056 121.661 120.570 0.060 0.000 2.252 353 I HA -0.289 3.881 4.170 -0.001 0.000 0.245 353 I C 2.167 178.308 176.117 0.040 0.000 1.102 353 I CA 1.013 62.389 61.300 0.126 0.000 1.385 353 I CB -0.210 37.817 38.000 0.046 0.000 1.064 353 I HN 0.153 nan 8.210 nan 0.000 0.414 354 L N 0.564 121.716 121.223 -0.117 0.000 2.127 354 L HA -0.155 4.185 4.340 -0.001 0.000 0.211 354 L C 2.612 179.453 176.870 -0.048 0.000 1.089 354 L CA 1.451 56.216 54.840 -0.125 0.000 0.757 354 L CB -0.968 40.943 42.059 -0.245 0.000 0.899 354 L HN 0.340 nan 8.230 nan 0.000 0.434 355 G N -1.283 107.469 108.800 -0.080 0.000 2.394 355 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.215 355 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.215 355 G C 1.361 176.208 174.900 -0.088 0.000 1.165 355 G CA 0.380 45.410 45.100 -0.116 0.000 0.784 355 G HN 0.282 nan 8.290 nan 0.000 0.535 356 Y N 0.551 120.852 120.300 0.002 0.000 2.181 356 Y HA -0.052 4.498 4.550 -0.001 0.000 0.288 356 Y C 2.789 178.709 175.900 0.033 0.000 1.146 356 Y CA 0.713 58.818 58.100 0.008 0.000 1.164 356 Y CB -0.076 38.396 38.460 0.021 0.000 0.982 356 Y HN 0.105 nan 8.280 nan 0.000 0.515 357 I N 0.028 120.747 120.570 0.248 0.000 2.208 357 I HA -0.363 3.807 4.170 -0.001 0.000 0.245 357 I C 2.191 178.454 176.117 0.242 0.000 1.097 357 I CA 1.792 63.282 61.300 0.317 0.000 1.363 357 I CB -0.412 37.721 38.000 0.221 0.000 1.051 357 I HN 0.300 nan 8.210 nan 0.000 0.413 358 N N 0.409 119.182 118.700 0.121 0.000 2.120 358 N HA -0.165 4.574 4.740 -0.001 0.000 0.188 358 N C 1.682 177.218 175.510 0.044 0.000 1.024 358 N CA 1.966 55.061 53.050 0.075 0.000 0.852 358 N CB -0.048 38.455 38.487 0.026 0.000 1.003 358 N HN 0.162 nan 8.380 nan 0.000 0.424 359 T N -1.292 113.276 114.554 0.023 0.000 2.788 359 T HA -0.029 4.320 4.350 -0.001 0.000 0.268 359 T C 1.759 176.414 174.700 -0.074 0.000 1.044 359 T CA 1.242 63.337 62.100 -0.008 0.000 1.139 359 T CB -0.867 68.015 68.868 0.024 0.000 0.867 359 T HN 0.461 nan 8.240 nan 0.000 0.454 360 G N 1.505 110.206 108.800 -0.164 0.000 2.418 360 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.217 360 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.217 360 G C 1.642 176.326 174.900 -0.360 0.000 1.158 360 G CA 0.744 45.505 45.100 -0.565 0.000 0.771 360 G HN 0.413 nan 8.290 nan 0.000 0.545 361 K N -0.178 120.206 120.400 -0.028 0.000 2.057 361 K HA -0.009 4.311 4.320 -0.001 0.000 0.206 361 K C 2.776 179.395 176.600 0.032 0.000 1.050 361 K CA 1.038 57.389 56.287 0.107 0.000 0.935 361 K CB -0.091 32.512 32.500 0.171 0.000 0.715 361 K HN 0.106 nan 8.250 nan 0.000 0.439 362 Q N 0.797 120.602 119.800 0.007 0.000 2.124 362 Q HA -0.179 4.160 4.340 -0.001 0.000 0.202 362 Q C 1.332 177.324 176.000 -0.014 0.000 0.977 362 Q CA 1.483 57.286 55.803 0.001 0.000 0.850 362 Q CB 0.004 28.739 28.738 -0.003 0.000 0.901 362 Q HN 0.419 nan 8.270 nan 0.000 0.429 363 E N -1.015 119.160 120.200 -0.042 0.000 2.494 363 E HA 0.094 4.444 4.350 -0.001 0.000 0.193 363 E C 0.621 177.198 176.600 -0.039 0.000 1.074 363 E CA 0.338 56.711 56.400 -0.045 0.000 0.867 363 E CB 0.203 29.866 29.700 -0.062 0.000 0.924 363 E HN 0.521 nan 8.360 nan 0.000 0.502 364 G N 0.517 109.302 108.800 -0.025 0.000 2.176 364 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.232 364 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.232 364 G C 0.337 175.242 174.900 0.008 0.000 0.986 364 G CA -0.104 44.995 45.100 -0.000 0.000 0.643 364 G HN 0.437 nan 8.290 nan 0.000 0.522 365 A N 0.239 123.033 122.820 -0.042 0.000 2.440 365 A HA 0.595 4.914 4.320 -0.001 0.000 0.251 365 A C 0.646 178.359 177.584 0.214 0.000 1.089 365 A CA 0.562 52.597 52.037 -0.003 0.000 0.779 365 A CB 0.401 19.214 19.000 -0.311 0.000 1.022 365 A HN 0.538 nan 8.150 nan 0.000 0.492 366 K N 2.600 123.154 120.400 0.257 0.000 2.310 366 K HA 0.253 4.572 4.320 -0.001 0.000 0.290 366 K C -0.703 176.077 176.600 0.300 0.000 1.077 366 K CA -0.399 56.034 56.287 0.244 0.000 0.922 366 K CB 0.092 32.693 32.500 0.168 0.000 1.057 366 K HN 0.596 nan 8.250 nan 0.000 0.479 367 L N 6.369 127.725 121.223 0.221 0.000 2.369 367 L HA 0.090 4.430 4.340 -0.001 0.000 0.279 367 L C 0.300 177.135 176.870 -0.059 0.000 1.108 367 L CA 0.483 55.284 54.840 -0.064 0.000 0.852 367 L CB 0.491 42.514 42.059 -0.060 0.000 1.169 367 L HN 0.800 nan 8.230 nan 0.000 0.452 368 L N 4.723 125.883 121.223 -0.104 0.000 2.408 368 L HA 0.208 4.548 4.340 -0.001 0.000 0.215 368 L C 0.353 177.182 176.870 -0.070 0.000 1.081 368 L CA 0.199 55.009 54.840 -0.050 0.000 0.840 368 L CB 0.032 42.080 42.059 -0.019 0.000 1.002 368 L HN 0.829 nan 8.230 nan 0.000 0.468 369 C N -3.134 116.096 119.300 -0.116 0.000 3.303 369 C HA 0.741 5.201 4.460 -0.001 0.000 0.340 369 C C 0.689 175.611 174.990 -0.114 0.000 1.274 369 C CA -0.631 58.332 59.018 -0.091 0.000 1.234 369 C CB 0.804 28.504 27.740 -0.066 0.000 1.532 369 C HN 0.616 nan 8.230 nan 0.000 0.483 370 G N 0.906 109.661 108.800 -0.076 0.000 2.566 370 G HA2 0.349 4.309 3.960 -0.001 0.000 0.280 370 G HA3 0.349 4.309 3.960 -0.001 0.000 0.280 370 G C 1.223 176.075 174.900 -0.079 0.000 1.225 370 G CA 2.195 47.258 45.100 -0.060 0.000 0.966 370 G HN 3.331 nan 8.290 nan 0.000 0.560 371 G N -2.206 106.552 108.800 -0.070 0.000 2.184 371 G HA2 0.478 4.437 3.960 -0.001 0.000 0.206 371 G HA3 0.478 4.437 3.960 -0.001 0.000 0.206 371 G C 1.333 176.225 174.900 -0.013 0.000 0.995 371 G CA 0.895 45.959 45.100 -0.060 0.000 0.651 371 G HN 2.590 nan 8.290 nan 0.000 0.511 372 G N -0.970 107.828 108.800 -0.004 0.000 2.827 372 G HA2 0.667 4.627 3.960 -0.001 0.000 0.296 372 G HA3 0.667 4.627 3.960 -0.001 0.000 0.296 372 G C -0.340 174.580 174.900 0.033 0.000 1.362 372 G CA -0.776 44.330 45.100 0.009 0.000 0.809 372 G HN 0.636 nan 8.290 nan 0.000 0.522 373 I N 1.229 121.842 120.570 0.072 0.000 2.648 373 I HA 0.234 4.404 4.170 -0.001 0.000 0.284 373 I C 1.497 177.702 176.117 0.146 0.000 1.153 373 I CA 0.069 61.472 61.300 0.172 0.000 1.426 373 I CB 1.612 39.771 38.000 0.265 0.000 1.381 373 I HN 0.558 nan 8.210 nan 0.000 0.571 374 A N 5.135 128.070 122.820 0.191 0.000 2.195 374 A HA 0.636 4.956 4.320 -0.001 0.000 0.210 374 A C 0.796 178.411 177.584 0.051 0.000 1.165 374 A CA 0.690 52.794 52.037 0.112 0.000 0.806 374 A CB 0.081 19.159 19.000 0.130 0.000 0.847 374 A HN 0.814 nan 8.150 nan 0.000 0.482 375 A N -1.108 121.779 122.820 0.111 0.000 2.612 375 A HA 0.549 4.869 4.320 -0.001 0.000 0.293 375 A C -0.570 177.055 177.584 0.069 0.000 1.075 375 A CA -0.257 51.794 52.037 0.024 0.000 0.680 375 A CB 0.416 19.347 19.000 -0.116 0.000 1.279 375 A HN -0.055 nan 8.150 nan 0.000 0.411 376 D N 0.032 120.441 120.400 0.015 0.000 2.194 376 D HA 0.031 4.671 4.640 -0.001 0.000 0.204 376 D C 0.667 176.956 176.300 -0.018 0.000 0.964 376 D CA 1.147 55.153 54.000 0.010 0.000 0.846 376 D CB 0.262 41.057 40.800 -0.007 0.000 0.962 376 D HN 0.467 nan 8.370 nan 0.000 0.490 377 R N -0.202 120.286 120.500 -0.019 0.000 2.562 377 R HA 0.490 4.830 4.340 -0.001 0.000 0.298 377 R C 0.092 176.387 176.300 -0.009 0.000 0.961 377 R CA 0.023 56.088 56.100 -0.058 0.000 0.881 377 R CB 1.481 31.752 30.300 -0.048 0.000 1.159 377 R HN 0.139 nan 8.270 nan 0.000 0.450 378 G N 2.074 110.729 108.800 -0.243 0.000 2.631 378 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.504 378 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.504 378 G C -1.105 173.407 174.900 -0.646 0.000 1.306 378 G CA -0.598 44.259 45.100 -0.404 0.000 0.897 378 G HN 0.640 nan 8.290 nan 0.000 0.520 379 Y N 0.021 120.060 120.300 -0.434 0.000 2.696 379 Y HA 0.536 5.085 4.550 -0.000 0.000 0.378 379 Y C 0.515 176.363 175.900 -0.088 0.000 1.012 379 Y CA -0.724 57.090 58.100 -0.476 0.000 1.396 379 Y CB 0.173 38.395 38.460 -0.396 0.000 1.415 379 Y HN 0.337 nan 8.280 nan 0.000 0.569 380 F N 1.408 121.516 119.950 0.263 0.000 2.394 380 F HA 0.522 5.049 4.527 -0.001 0.000 0.340 380 F C 0.133 176.125 175.800 0.319 0.000 1.105 380 F CA -0.767 57.378 58.000 0.241 0.000 1.124 380 F CB 0.888 39.953 39.000 0.108 0.000 1.145 380 F HN 0.001 nan 8.300 nan 0.000 0.505 381 I N 2.333 123.122 120.570 0.365 0.000 2.545 381 I HA 0.235 4.405 4.170 -0.001 0.000 0.292 381 I C -0.615 175.595 176.117 0.155 0.000 1.040 381 I CA -0.974 60.444 61.300 0.196 0.000 1.068 381 I CB 2.075 40.117 38.000 0.071 0.000 1.251 381 I HN 0.525 nan 8.210 nan 0.000 0.424 382 Q N 5.763 125.623 119.800 0.101 0.000 2.364 382 Q HA 0.183 4.523 4.340 -0.001 0.000 0.267 382 Q C -2.305 173.739 176.000 0.073 0.000 0.999 382 Q CA -1.547 54.295 55.803 0.066 0.000 0.886 382 Q CB 0.123 28.878 28.738 0.028 0.000 1.243 382 Q HN 0.240 nan 8.270 nan 0.000 0.415 383 P HA -0.018 nan 4.420 nan 0.000 0.264 383 P C -1.110 176.262 177.300 0.119 0.000 1.236 383 P CA 0.481 63.650 63.100 0.114 0.000 0.811 383 P CB 0.465 32.065 31.700 -0.165 0.000 0.840 384 T N 2.974 117.640 114.554 0.186 0.000 2.867 384 T HA 0.475 4.824 4.350 -0.001 0.000 0.282 384 T C -0.168 174.555 174.700 0.038 0.000 1.000 384 T CA -0.416 61.691 62.100 0.011 0.000 1.042 384 T CB 0.985 69.797 68.868 -0.093 0.000 0.973 384 T HN -0.062 nan 8.240 nan 0.000 0.465 385 V N 3.461 123.312 119.914 -0.106 0.000 2.577 385 V HA 0.493 4.613 4.120 -0.001 0.000 0.303 385 V C -1.047 174.937 176.094 -0.184 0.000 1.042 385 V CA -0.921 61.357 62.300 -0.037 0.000 0.872 385 V CB 1.341 33.203 31.823 0.065 0.000 0.998 385 V HN 0.840 nan 8.190 nan 0.000 0.423 386 F N 2.404 122.383 119.950 0.047 0.000 2.427 386 F HA 0.762 5.289 4.527 -0.001 0.000 0.346 386 F C 0.939 176.770 175.800 0.053 0.000 1.120 386 F CA -0.285 57.739 58.000 0.041 0.000 1.033 386 F CB 2.064 41.077 39.000 0.022 0.000 1.126 386 F HN 0.609 nan 8.300 nan 0.000 0.462 387 G N 0.951 109.918 108.800 0.278 0.000 2.471 387 G HA2 0.346 4.305 3.960 -0.001 0.000 0.332 387 G HA3 0.346 4.305 3.960 -0.001 0.000 0.332 387 G C -0.628 174.414 174.900 0.237 0.000 1.176 387 G CA -0.640 44.605 45.100 0.241 0.000 0.949 387 G HN 0.710 nan 8.290 nan 0.000 0.488 388 D N -0.994 119.567 120.400 0.268 0.000 2.689 388 D HA -0.163 4.476 4.640 -0.001 0.000 0.237 388 D C 0.501 176.849 176.300 0.080 0.000 1.148 388 D CA 0.645 54.729 54.000 0.139 0.000 0.656 388 D CB -1.109 39.753 40.800 0.105 0.000 1.050 388 D HN 0.188 nan 8.370 nan 0.000 0.426 389 V N 0.925 120.884 119.914 0.074 0.000 2.583 389 V HA 0.077 4.197 4.120 -0.001 0.000 0.287 389 V C 0.827 176.917 176.094 -0.007 0.000 1.051 389 V CA -0.051 62.256 62.300 0.010 0.000 1.010 389 V CB 1.771 33.586 31.823 -0.014 0.000 0.988 389 V HN 0.052 nan 8.190 nan 0.000 0.478 390 Q N 2.038 121.829 119.800 -0.015 0.000 2.266 390 Q HA 0.329 4.668 4.340 -0.001 0.000 0.261 390 Q C 0.508 176.509 176.000 0.003 0.000 0.985 390 Q CA -0.745 55.060 55.803 0.003 0.000 0.873 390 Q CB 1.430 30.172 28.738 0.006 0.000 1.306 390 Q HN 0.656 nan 8.270 nan 0.000 0.447 391 D N 1.431 121.853 120.400 0.037 0.000 2.158 391 D HA -0.145 4.494 4.640 -0.001 0.000 0.197 391 D C 1.460 177.779 176.300 0.031 0.000 0.995 391 D CA 1.771 55.803 54.000 0.053 0.000 0.846 391 D CB -0.053 40.803 40.800 0.094 0.000 0.941 391 D HN 0.828 nan 8.370 nan 0.000 0.456 392 G N -0.322 108.491 108.800 0.021 0.000 2.650 392 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.214 392 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.214 392 G C 0.750 175.651 174.900 0.001 0.000 1.136 392 G CA -0.183 44.925 45.100 0.014 0.000 0.789 392 G HN 0.170 nan 8.290 nan 0.000 0.536 393 M N 0.750 120.342 119.600 -0.014 0.000 2.243 393 M HA 0.134 4.614 4.480 -0.001 0.000 0.341 393 M C 1.803 178.088 176.300 -0.026 0.000 1.130 393 M CA -0.102 55.177 55.300 -0.035 0.000 1.162 393 M CB 0.965 33.521 32.600 -0.073 0.000 1.497 393 M HN -0.067 nan 8.290 nan 0.000 0.456 394 T N 2.578 117.123 114.554 -0.015 0.000 2.720 394 T HA -0.141 4.209 4.350 -0.001 0.000 0.268 394 T C 1.570 176.267 174.700 -0.005 0.000 1.037 394 T CA 1.799 63.915 62.100 0.026 0.000 1.144 394 T CB -0.467 68.446 68.868 0.075 0.000 0.864 394 T HN 0.773 nan 8.240 nan 0.000 0.444 395 I N -0.174 120.357 120.570 -0.065 0.000 2.916 395 I HA 0.114 4.284 4.170 -0.001 0.000 0.267 395 I C 2.272 178.317 176.117 -0.119 0.000 1.263 395 I CA 1.038 62.260 61.300 -0.131 0.000 1.471 395 I CB -0.465 37.416 38.000 -0.200 0.000 1.089 395 I HN 0.101 nan 8.210 nan 0.000 0.468 396 A N 0.894 123.665 122.820 -0.082 0.000 2.267 396 A HA 0.189 4.508 4.320 -0.001 0.000 0.213 396 A C 2.121 179.697 177.584 -0.013 0.000 1.192 396 A CA 0.135 52.134 52.037 -0.064 0.000 0.851 396 A CB -0.046 18.918 19.000 -0.059 0.000 0.881 396 A HN 0.441 nan 8.150 nan 0.000 0.494 397 K N -0.376 120.027 120.400 0.004 0.000 2.380 397 K HA 0.160 4.480 4.320 -0.001 0.000 0.200 397 K C -0.142 176.522 176.600 0.106 0.000 1.201 397 K CA 0.202 56.527 56.287 0.063 0.000 0.916 397 K CB 0.570 33.105 32.500 0.058 0.000 1.187 397 K HN 0.400 nan 8.250 nan 0.000 0.498 398 E N 2.006 122.228 120.200 0.038 0.000 2.231 398 E HA 0.080 4.430 4.350 -0.001 0.000 0.277 398 E C -0.923 175.587 176.600 -0.149 0.000 0.999 398 E CA -0.314 56.106 56.400 0.034 0.000 0.827 398 E CB 1.622 31.374 29.700 0.085 0.000 1.101 398 E HN 0.077 nan 8.360 nan 0.000 0.393 399 E N 3.121 123.266 120.200 -0.091 0.000 2.265 399 E HA -0.011 4.339 4.350 -0.001 0.000 0.272 399 E C 0.280 176.742 176.600 -0.230 0.000 1.067 399 E CA -0.018 56.287 56.400 -0.159 0.000 0.900 399 E CB 0.378 29.983 29.700 -0.158 0.000 1.017 399 E HN 0.529 nan 8.360 nan 0.000 0.431 400 I N 4.491 124.891 120.570 -0.284 0.000 2.480 400 I HA -0.082 4.088 4.170 -0.001 0.000 0.251 400 I C 0.523 176.716 176.117 0.128 0.000 1.124 400 I CA 0.102 61.219 61.300 -0.305 0.000 1.444 400 I CB 0.032 37.858 38.000 -0.289 0.000 1.098 400 I HN 0.678 nan 8.210 nan 0.000 0.428 401 F N 1.595 121.493 119.950 -0.086 0.000 3.071 401 F HA -0.172 4.355 4.527 -0.001 0.000 0.295 401 F C 0.431 176.242 175.800 0.019 0.000 0.919 401 F CA 0.627 58.622 58.000 -0.009 0.000 1.050 401 F CB -1.356 37.689 39.000 0.075 0.000 1.040 401 F HN 0.162 nan 8.300 nan 0.000 0.692 402 G N -0.600 108.197 108.800 -0.005 0.000 2.721 402 G HA2 0.621 4.580 3.960 -0.001 0.000 0.296 402 G HA3 0.621 4.580 3.960 -0.001 0.000 0.296 402 G C -2.942 171.900 174.900 -0.098 0.000 1.383 402 G CA -0.609 44.474 45.100 -0.028 0.000 0.788 402 G HN -0.152 nan 8.290 nan 0.000 0.500 403 P HA 0.237 nan 4.420 nan 0.000 0.228 403 P C -0.532 176.765 177.300 -0.004 0.000 1.748 403 P CA 0.008 63.114 63.100 0.010 0.000 0.909 403 P CB 0.100 31.933 31.700 0.222 0.000 1.882 404 V N 2.402 122.229 119.914 -0.145 0.000 2.376 404 V HA 0.349 4.468 4.120 -0.001 0.000 0.287 404 V C 0.310 176.306 176.094 -0.164 0.000 1.015 404 V CA -0.661 61.607 62.300 -0.054 0.000 0.834 404 V CB 1.945 33.810 31.823 0.071 0.000 1.001 404 V HN 0.256 nan 8.190 nan 0.000 0.428 405 M N 4.174 123.690 119.600 -0.140 0.000 2.264 405 M HA 0.569 5.048 4.480 -0.001 0.000 0.352 405 M C -0.815 175.507 176.300 0.036 0.000 1.173 405 M CA -0.359 54.855 55.300 -0.144 0.000 1.075 405 M CB 1.420 33.957 32.600 -0.105 0.000 1.621 405 M HN 0.623 nan 8.290 nan 0.000 0.457 406 Q N 5.053 124.848 119.800 -0.008 0.000 2.348 406 Q HA 0.566 4.905 4.340 -0.001 0.000 0.265 406 Q C -1.283 174.710 176.000 -0.012 0.000 0.998 406 Q CA 0.021 55.840 55.803 0.027 0.000 0.831 406 Q CB 1.790 30.501 28.738 -0.045 0.000 1.251 406 Q HN 0.686 nan 8.270 nan 0.000 0.456 407 I N 4.240 124.844 120.570 0.058 0.000 2.362 407 I HA 0.388 4.557 4.170 -0.001 0.000 0.289 407 I C -0.978 175.212 176.117 0.122 0.000 0.994 407 I CA -0.927 60.413 61.300 0.067 0.000 1.158 407 I CB 0.798 38.859 38.000 0.100 0.000 1.315 407 I HN 0.334 nan 8.210 nan 0.000 0.451 408 L N 6.606 127.849 121.223 0.033 0.000 2.342 408 L HA 0.526 4.866 4.340 -0.001 0.000 0.271 408 L C -0.104 176.904 176.870 0.230 0.000 1.008 408 L CA -0.495 54.373 54.840 0.047 0.000 0.818 408 L CB 1.470 43.390 42.059 -0.232 0.000 1.296 408 L HN 0.458 nan 8.230 nan 0.000 0.427 409 K N 2.180 122.658 120.400 0.130 0.000 2.138 409 K HA 0.714 5.034 4.320 -0.001 0.000 0.263 409 K C -1.350 175.378 176.600 0.214 0.000 0.965 409 K CA -0.454 55.854 56.287 0.035 0.000 0.868 409 K CB 1.192 33.390 32.500 -0.504 0.000 1.083 409 K HN 0.547 nan 8.250 nan 0.000 0.443 410 F N 0.968 120.968 119.950 0.084 0.000 2.664 410 F HA 0.465 4.992 4.527 -0.001 0.000 0.317 410 F C 0.174 175.995 175.800 0.036 0.000 1.108 410 F CA -0.942 57.105 58.000 0.078 0.000 0.957 410 F CB 1.569 40.635 39.000 0.110 0.000 1.365 410 F HN 0.529 nan 8.300 nan 0.000 0.475 411 K N -0.056 120.435 120.400 0.152 0.000 2.267 411 K HA 0.229 4.549 4.320 -0.001 0.000 0.213 411 K C 0.195 176.880 176.600 0.141 0.000 1.060 411 K CA 0.936 57.231 56.287 0.013 0.000 0.935 411 K CB 0.243 32.761 32.500 0.029 0.000 1.096 411 K HN 0.902 nan 8.250 nan 0.000 0.468 412 T N -1.654 113.048 114.554 0.248 0.000 2.943 412 T HA 0.255 4.605 4.350 -0.001 0.000 0.284 412 T C 1.192 176.049 174.700 0.260 0.000 1.015 412 T CA -0.795 61.431 62.100 0.210 0.000 1.042 412 T CB 1.481 70.410 68.868 0.103 0.000 1.055 412 T HN 0.236 nan 8.240 nan 0.000 0.500 413 I N 0.346 121.025 120.570 0.180 0.000 2.394 413 I HA -0.090 4.079 4.170 -0.001 0.000 0.251 413 I C 2.140 178.314 176.117 0.095 0.000 1.136 413 I CA 1.435 62.810 61.300 0.126 0.000 1.425 413 I CB -0.035 38.034 38.000 0.115 0.000 1.079 413 I HN 0.764 nan 8.210 nan 0.000 0.425 414 E N 0.660 120.914 120.200 0.091 0.000 2.106 414 E HA -0.283 4.066 4.350 -0.001 0.000 0.192 414 E C 1.960 178.574 176.600 0.023 0.000 0.984 414 E CA 1.436 57.893 56.400 0.094 0.000 0.806 414 E CB -0.198 29.541 29.700 0.065 0.000 0.750 414 E HN 0.556 nan 8.360 nan 0.000 0.458 415 E N 0.469 120.679 120.200 0.017 0.000 2.031 415 E HA -0.180 4.170 4.350 -0.001 0.000 0.193 415 E C 2.099 178.615 176.600 -0.140 0.000 0.994 415 E CA 1.203 57.595 56.400 -0.013 0.000 0.800 415 E CB -0.093 29.644 29.700 0.063 0.000 0.752 415 E HN 0.155 nan 8.360 nan 0.000 0.447 416 V N 0.488 120.234 119.914 -0.280 0.000 2.490 416 V HA -0.191 3.929 4.120 -0.001 0.000 0.250 416 V C 2.318 178.082 176.094 -0.551 0.000 1.061 416 V CA 1.323 63.218 62.300 -0.674 0.000 1.064 416 V CB 0.053 31.116 31.823 -1.267 0.000 0.670 416 V HN 0.241 nan 8.190 nan 0.000 0.461 417 V N 0.455 120.186 119.914 -0.305 0.000 2.295 417 V HA -0.156 3.964 4.120 -0.001 0.000 0.246 417 V C 2.642 178.617 176.094 -0.199 0.000 1.049 417 V CA 2.232 64.393 62.300 -0.233 0.000 1.024 417 V CB -1.321 30.416 31.823 -0.142 0.000 0.648 417 V HN 0.620 nan 8.190 nan 0.000 0.447 418 G N -0.433 108.280 108.800 -0.144 0.000 2.418 418 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.217 418 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.217 418 G C 1.744 176.583 174.900 -0.100 0.000 1.158 418 G CA 0.667 45.709 45.100 -0.096 0.000 0.771 418 G HN 0.438 nan 8.290 nan 0.000 0.545 419 R N 0.443 120.851 120.500 -0.152 0.000 2.092 419 R HA 0.095 4.434 4.340 -0.001 0.000 0.231 419 R C 3.010 179.259 176.300 -0.084 0.000 1.119 419 R CA 1.033 57.076 56.100 -0.095 0.000 0.970 419 R CB -0.329 29.908 30.300 -0.104 0.000 0.864 419 R HN 0.345 nan 8.270 nan 0.000 0.440 420 A N 1.533 124.171 122.820 -0.304 0.000 1.898 420 A HA -0.137 4.182 4.320 -0.001 0.000 0.216 420 A C 1.643 179.204 177.584 -0.038 0.000 1.181 420 A CA 1.365 53.299 52.037 -0.170 0.000 0.620 420 A CB -0.297 18.513 19.000 -0.316 0.000 0.819 420 A HN 0.216 nan 8.150 nan 0.000 0.442 421 N N 0.248 118.901 118.700 -0.078 0.000 2.467 421 N HA -0.052 4.687 4.740 -0.001 0.000 0.184 421 N C 0.219 175.725 175.510 -0.007 0.000 1.106 421 N CA 0.279 53.302 53.050 -0.046 0.000 0.892 421 N CB -0.408 38.036 38.487 -0.072 0.000 0.969 421 N HN 0.382 nan 8.380 nan 0.000 0.454 422 N N 1.016 119.721 118.700 0.007 0.000 2.895 422 N HA 0.039 4.779 4.740 -0.001 0.000 0.277 422 N C -1.289 174.251 175.510 0.050 0.000 1.185 422 N CA 0.101 53.166 53.050 0.024 0.000 1.106 422 N CB -0.224 38.281 38.487 0.029 0.000 1.422 422 N HN -0.077 nan 8.380 nan 0.000 0.521 423 S N -0.126 115.600 115.700 0.043 0.000 2.565 423 S HA 0.215 4.685 4.470 -0.001 0.000 0.274 423 S C 0.841 175.449 174.600 0.014 0.000 1.144 423 S CA -0.361 57.874 58.200 0.059 0.000 0.849 423 S CB 0.167 63.448 63.200 0.134 0.000 1.103 423 S HN 0.394 nan 8.310 nan 0.000 0.455 424 T N 0.569 115.082 114.554 -0.068 0.000 3.085 424 T HA 0.240 4.589 4.350 -0.001 0.000 0.263 424 T C 0.550 175.146 174.700 -0.173 0.000 1.127 424 T CA 0.587 62.591 62.100 -0.161 0.000 1.103 424 T CB -0.529 68.175 68.868 -0.274 0.000 0.921 424 T HN 0.533 nan 8.240 nan 0.000 0.510 425 Y N 0.529 120.847 120.300 0.029 0.000 2.374 425 Y HA 0.574 5.124 4.550 -0.001 0.000 0.322 425 Y C 1.292 177.207 175.900 0.026 0.000 1.275 425 Y CA -0.705 57.415 58.100 0.033 0.000 1.307 425 Y CB 1.653 40.138 38.460 0.041 0.000 1.282 425 Y HN 0.122 nan 8.280 nan 0.000 0.509 426 G N 1.170 110.100 108.800 0.217 0.000 5.312 426 G HA2 0.076 4.036 3.960 -0.001 0.000 0.204 426 G HA3 0.076 4.036 3.960 -0.001 0.000 0.204 426 G C -0.193 174.707 174.900 0.000 0.000 1.097 426 G CA -0.285 44.858 45.100 0.072 0.000 0.621 426 G HN 0.530 nan 8.290 nan 0.000 0.290 427 L N 0.653 121.885 121.223 0.015 0.000 2.023 427 L HA 0.740 5.079 4.340 -0.001 0.000 0.205 427 L C 1.159 177.907 176.870 -0.203 0.000 1.073 427 L CA 2.420 57.215 54.840 -0.075 0.000 0.745 427 L CB -0.161 41.921 42.059 0.038 0.000 0.900 427 L HN 0.539 nan 8.230 nan 0.000 0.435 428 A N -2.332 120.426 122.820 -0.103 0.000 2.568 428 A HA 0.897 5.216 4.320 -0.001 0.000 0.291 428 A C -1.454 176.094 177.584 -0.060 0.000 1.159 428 A CA -0.100 51.821 52.037 -0.194 0.000 0.679 428 A CB 0.799 19.716 19.000 -0.139 0.000 1.285 428 A HN 0.582 nan 8.150 nan 0.000 0.428 429 A N -1.370 121.398 122.820 -0.087 0.000 2.586 429 A HA 1.002 5.322 4.320 -0.001 0.000 0.290 429 A C -0.704 176.979 177.584 0.166 0.000 1.086 429 A CA 0.089 52.178 52.037 0.086 0.000 0.665 429 A CB 0.580 19.569 19.000 -0.019 0.000 1.279 429 A HN 2.671 nan 8.150 nan 0.000 0.423 430 A N -0.379 122.637 122.820 0.328 0.000 2.572 430 A HA 0.801 5.120 4.320 -0.001 0.000 0.295 430 A C -1.488 176.300 177.584 0.341 0.000 1.072 430 A CA -0.481 51.803 52.037 0.411 0.000 0.691 430 A CB 1.605 21.084 19.000 0.799 0.000 1.291 430 A HN 1.804 nan 8.150 nan 0.000 0.404 431 V N 0.915 120.984 119.914 0.259 0.000 2.623 431 V HA 0.541 4.660 4.120 -0.001 0.000 0.304 431 V C -1.576 174.605 176.094 0.145 0.000 1.054 431 V CA -0.254 62.178 62.300 0.220 0.000 0.882 431 V CB 1.440 33.322 31.823 0.097 0.000 1.002 431 V HN 0.713 nan 8.190 nan 0.000 0.424 432 F N 2.752 122.820 119.950 0.196 0.000 2.382 432 F HA 0.760 5.287 4.527 -0.001 0.000 0.361 432 F C 0.350 176.266 175.800 0.194 0.000 1.109 432 F CA -0.167 57.964 58.000 0.218 0.000 1.031 432 F CB 1.968 41.112 39.000 0.240 0.000 1.234 432 F HN 0.537 nan 8.300 nan 0.000 0.445 433 T N 2.122 116.810 114.554 0.222 0.000 2.886 433 T HA 0.281 4.630 4.350 -0.001 0.000 0.330 433 T C 0.165 174.941 174.700 0.127 0.000 1.488 433 T CA -0.669 61.542 62.100 0.185 0.000 1.054 433 T CB 1.446 70.407 68.868 0.155 0.000 1.348 433 T HN 0.624 nan 8.240 nan 0.000 0.489 434 K N 0.879 121.347 120.400 0.114 0.000 2.361 434 K HA 0.173 4.493 4.320 -0.001 0.000 0.194 434 K C -0.106 176.529 176.600 0.059 0.000 1.032 434 K CA -0.048 56.286 56.287 0.078 0.000 1.048 434 K CB 0.239 32.783 32.500 0.075 0.000 0.842 434 K HN 0.515 nan 8.250 nan 0.000 0.526 435 D N 0.924 121.364 120.400 0.066 0.000 2.312 435 D HA 0.010 4.649 4.640 -0.001 0.000 0.252 435 D C 0.853 177.182 176.300 0.048 0.000 1.150 435 D CA -0.262 53.770 54.000 0.052 0.000 0.870 435 D CB 1.038 41.871 40.800 0.054 0.000 1.153 435 D HN -0.159 nan 8.370 nan 0.000 0.457 436 L N 4.128 125.373 121.223 0.036 0.000 1.994 436 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 436 L C 1.303 178.198 176.870 0.041 0.000 1.071 436 L CA 1.909 56.769 54.840 0.033 0.000 0.745 436 L CB -0.479 41.594 42.059 0.024 0.000 0.892 436 L HN 0.509 nan 8.230 nan 0.000 0.431 437 D N -0.142 120.281 120.400 0.039 0.000 2.104 437 D HA -0.195 4.444 4.640 -0.001 0.000 0.194 437 D C 2.189 178.537 176.300 0.081 0.000 0.994 437 D CA 1.535 55.562 54.000 0.045 0.000 0.830 437 D CB -0.089 40.721 40.800 0.016 0.000 0.959 437 D HN 0.396 nan 8.370 nan 0.000 0.452 438 K N 0.597 121.041 120.400 0.074 0.000 2.057 438 K HA -0.054 4.265 4.320 -0.001 0.000 0.207 438 K C 2.155 178.840 176.600 0.143 0.000 1.049 438 K CA 1.172 57.531 56.287 0.119 0.000 0.931 438 K CB -0.115 32.445 32.500 0.099 0.000 0.714 438 K HN 0.033 nan 8.250 nan 0.000 0.440 439 A N 2.085 124.961 122.820 0.092 0.000 1.883 439 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 439 A C 1.861 179.475 177.584 0.050 0.000 1.186 439 A CA 1.806 53.881 52.037 0.063 0.000 0.624 439 A CB -0.527 18.498 19.000 0.040 0.000 0.822 439 A HN 0.233 nan 8.150 nan 0.000 0.444 440 N N -1.673 117.064 118.700 0.061 0.000 2.188 440 N HA -0.138 4.601 4.740 -0.001 0.000 0.184 440 N C 1.588 177.137 175.510 0.064 0.000 1.018 440 N CA 1.583 54.661 53.050 0.046 0.000 0.858 440 N CB -0.560 37.956 38.487 0.048 0.000 0.989 440 N HN 0.677 nan 8.380 nan 0.000 0.426 441 Y N 1.566 121.856 120.300 -0.016 0.000 2.145 441 Y HA -0.062 4.487 4.550 -0.001 0.000 0.286 441 Y C 2.172 178.051 175.900 -0.036 0.000 1.145 441 Y CA 1.348 59.435 58.100 -0.021 0.000 1.148 441 Y CB -0.454 37.998 38.460 -0.014 0.000 0.981 441 Y HN -0.058 nan 8.280 nan 0.000 0.507 442 L N -0.280 120.913 121.223 -0.050 0.000 2.044 442 L HA -0.192 4.148 4.340 -0.001 0.000 0.205 442 L C 2.792 179.556 176.870 -0.176 0.000 1.075 442 L CA 1.529 56.273 54.840 -0.161 0.000 0.747 442 L CB -0.832 41.216 42.059 -0.018 0.000 0.903 442 L HN 0.367 nan 8.230 nan 0.000 0.435 443 S N -0.858 114.776 115.700 -0.110 0.000 2.400 443 S HA -0.314 4.155 4.470 -0.001 0.000 0.232 443 S C 1.898 176.404 174.600 -0.157 0.000 1.025 443 S CA 1.559 59.683 58.200 -0.127 0.000 0.993 443 S CB -0.421 62.725 63.200 -0.091 0.000 0.808 443 S HN 0.530 nan 8.310 nan 0.000 0.478 444 Q N 1.016 120.722 119.800 -0.157 0.000 2.096 444 Q HA 0.133 4.473 4.340 -0.001 0.000 0.197 444 Q C 2.259 178.138 176.000 -0.202 0.000 0.964 444 Q CA 0.983 56.694 55.803 -0.153 0.000 0.838 444 Q CB -0.446 28.220 28.738 -0.120 0.000 0.906 444 Q HN 0.694 nan 8.270 nan 0.000 0.444 445 A N 0.818 123.455 122.820 -0.305 0.000 1.968 445 A HA 0.066 4.385 4.320 -0.001 0.000 0.217 445 A C 0.986 178.420 177.584 -0.250 0.000 1.169 445 A CA 0.192 52.032 52.037 -0.329 0.000 0.638 445 A CB -0.391 18.274 19.000 -0.558 0.000 0.812 445 A HN 0.372 nan 8.150 nan 0.000 0.446 446 L N 1.243 122.317 121.223 -0.248 0.000 2.477 446 L HA 0.018 4.358 4.340 -0.001 0.000 0.272 446 L C 0.056 176.752 176.870 -0.290 0.000 1.157 446 L CA -0.110 54.589 54.840 -0.235 0.000 0.889 446 L CB 0.392 42.321 42.059 -0.217 0.000 1.158 446 L HN 0.429 nan 8.230 nan 0.000 0.473 447 Q N 4.143 123.785 119.800 -0.262 0.000 2.844 447 Q HA 0.490 4.830 4.340 -0.001 0.000 0.235 447 Q C -0.302 175.347 176.000 -0.586 0.000 1.336 447 Q CA -0.261 55.334 55.803 -0.347 0.000 1.026 447 Q CB 0.594 29.278 28.738 -0.089 0.000 1.513 447 Q HN 0.686 nan 8.270 nan 0.000 0.577 448 A N -0.088 122.160 122.820 -0.953 0.000 2.549 448 A HA 0.660 4.979 4.320 -0.001 0.000 0.297 448 A C 0.838 177.848 177.584 -0.957 0.000 1.061 448 A CA -0.417 51.141 52.037 -0.799 0.000 0.690 448 A CB 1.235 19.980 19.000 -0.424 0.000 1.287 448 A HN 0.526 nan 8.150 nan 0.000 0.402 449 G N 0.089 108.560 108.800 -0.550 0.000 2.432 449 G HA2 0.262 4.222 3.960 -0.001 0.000 0.219 449 G HA3 0.262 4.222 3.960 -0.001 0.000 0.219 449 G C 0.510 175.141 174.900 -0.448 0.000 1.135 449 G CA 1.712 46.621 45.100 -0.319 0.000 0.767 449 G HN 0.860 nan 8.290 nan 0.000 0.550 450 T N -0.237 113.971 114.554 -0.577 0.000 2.928 450 T HA 0.503 4.853 4.350 -0.001 0.000 0.296 450 T C -1.120 173.108 174.700 -0.787 0.000 1.000 450 T CA -0.412 61.251 62.100 -0.729 0.000 0.989 450 T CB 2.689 70.981 68.868 -0.960 0.000 1.005 450 T HN -0.096 nan 8.240 nan 0.000 0.442 451 V N 3.976 123.497 119.914 -0.655 0.000 2.378 451 V HA 0.428 4.547 4.120 -0.001 0.000 0.288 451 V C -0.701 175.150 176.094 -0.405 0.000 1.016 451 V CA -0.979 61.050 62.300 -0.451 0.000 0.840 451 V CB 1.190 32.844 31.823 -0.282 0.000 0.994 451 V HN 0.767 nan 8.190 nan 0.000 0.431 452 W N 3.821 125.015 121.300 -0.175 0.000 2.417 452 W HA 0.620 5.279 4.660 -0.001 0.000 0.317 452 W C -0.568 175.873 176.519 -0.131 0.000 1.121 452 W CA -0.670 56.576 57.345 -0.165 0.000 1.208 452 W CB 1.908 31.235 29.460 -0.222 0.000 1.253 452 W HN 0.270 nan 8.180 nan 0.000 0.533 453 V N 4.818 124.778 119.914 0.076 0.000 2.378 453 V HA 0.146 4.266 4.120 -0.001 0.000 0.288 453 V C 0.162 176.148 176.094 -0.180 0.000 1.016 453 V CA -0.953 61.310 62.300 -0.062 0.000 0.840 453 V CB 1.044 32.848 31.823 -0.031 0.000 0.994 453 V HN 0.672 nan 8.190 nan 0.000 0.431 454 N N 1.957 120.308 118.700 -0.582 0.000 2.747 454 N HA -0.171 4.569 4.740 -0.001 0.000 0.249 454 N C -0.308 175.050 175.510 -0.254 0.000 1.107 454 N CA 1.258 53.876 53.050 -0.720 0.000 0.707 454 N CB -1.119 37.299 38.487 -0.115 0.000 1.054 454 N HN 1.123 nan 8.380 nan 0.000 0.555 455 C N -4.221 114.887 119.300 -0.319 0.000 3.259 455 C HA 0.795 5.255 4.460 -0.001 0.000 0.344 455 C C -1.184 173.876 174.990 0.116 0.000 1.401 455 C CA -1.338 57.740 59.018 0.101 0.000 1.219 455 C CB 1.674 29.477 27.740 0.105 0.000 1.521 455 C HN 0.271 nan 8.230 nan 0.000 0.455 456 Y N -0.129 120.000 120.300 -0.286 0.000 2.592 456 Y HA 0.469 5.018 4.550 -0.001 0.000 0.334 456 Y C -0.362 174.944 175.900 -0.990 0.000 1.136 456 Y CA 0.413 58.092 58.100 -0.701 0.000 1.042 456 Y CB 1.379 39.744 38.460 -0.158 0.000 1.325 456 Y HN 1.032 nan 8.280 nan 0.000 0.457 457 D N 1.711 121.015 120.400 -1.827 0.000 2.751 457 D HA -0.139 4.501 4.640 -0.001 0.000 0.233 457 D C -0.927 175.057 176.300 -0.527 0.000 1.149 457 D CA 0.928 54.383 54.000 -0.909 0.000 0.682 457 D CB -1.050 39.719 40.800 -0.052 0.000 1.068 457 D HN 0.155 nan 8.370 nan 0.000 0.429 458 V N 1.527 120.950 119.914 -0.818 0.000 2.299 458 V HA 0.245 4.365 4.120 -0.001 0.000 0.255 458 V C 0.510 176.638 176.094 0.057 0.000 1.100 458 V CA -0.282 61.931 62.300 -0.146 0.000 0.938 458 V CB -0.265 31.532 31.823 -0.044 0.000 1.139 458 V HN -0.003 nan 8.190 nan 0.000 0.490 459 F N 2.329 122.366 119.950 0.144 0.000 2.399 459 F HA 0.777 5.304 4.527 -0.001 0.000 0.334 459 F C 0.885 176.721 175.800 0.060 0.000 1.097 459 F CA -0.400 57.677 58.000 0.129 0.000 1.076 459 F CB 1.934 40.994 39.000 0.100 0.000 1.162 459 F HN 0.453 nan 8.300 nan 0.000 0.495 460 G N 0.384 109.290 108.800 0.177 0.000 2.719 460 G HA2 0.503 4.462 3.960 -0.001 0.000 0.298 460 G HA3 0.503 4.462 3.960 -0.001 0.000 0.298 460 G C 0.108 174.941 174.900 -0.112 0.000 1.433 460 G CA -0.357 44.762 45.100 0.031 0.000 1.034 460 G HN 0.878 nan 8.290 nan 0.000 0.517 461 A N 1.367 124.054 122.820 -0.222 0.000 2.076 461 A HA -0.088 4.232 4.320 -0.001 0.000 0.220 461 A C 2.098 179.088 177.584 -0.991 0.000 1.160 461 A CA 1.905 53.640 52.037 -0.504 0.000 0.653 461 A CB -0.092 18.634 19.000 -0.456 0.000 0.801 461 A HN 0.582 nan 8.150 nan 0.000 0.455 462 Q N -0.110 119.247 119.800 -0.738 0.000 2.331 462 Q HA 0.152 4.492 4.340 -0.001 0.000 0.203 462 Q C 0.390 176.312 176.000 -0.130 0.000 0.944 462 Q CA 0.684 56.184 55.803 -0.505 0.000 0.892 462 Q CB 0.098 28.727 28.738 -0.182 0.000 0.983 462 Q HN 0.459 nan 8.270 nan 0.000 0.482 463 S N 2.423 118.058 115.700 -0.108 0.000 2.442 463 S HA 0.379 4.849 4.470 -0.001 0.000 0.297 463 S C -2.477 172.112 174.600 -0.018 0.000 1.131 463 S CA -1.388 56.800 58.200 -0.021 0.000 1.092 463 S CB 1.122 64.309 63.200 -0.022 0.000 0.998 463 S HN 0.061 nan 8.310 nan 0.000 0.478 464 P HA 0.222 nan 4.420 nan 0.000 0.271 464 P C -1.028 176.255 177.300 -0.028 0.000 1.216 464 P CA -0.204 62.870 63.100 -0.044 0.000 0.776 464 P CB 0.342 31.898 31.700 -0.239 0.000 0.881 465 F N 2.067 121.923 119.950 -0.157 0.000 2.539 465 F HA 0.685 5.211 4.527 -0.000 0.000 0.318 465 F C -0.244 175.524 175.800 -0.053 0.000 1.135 465 F CA 0.192 58.130 58.000 -0.103 0.000 0.915 465 F CB 2.042 41.029 39.000 -0.021 0.000 1.176 465 F HN 0.603 nan 8.300 nan 0.000 0.440 466 G N 2.394 110.792 108.800 -0.670 0.000 2.466 466 G HA2 0.496 4.456 3.960 -0.001 0.000 0.291 466 G HA3 0.496 4.456 3.960 -0.001 0.000 0.291 466 G C -1.637 173.031 174.900 -0.387 0.000 1.460 466 G CA -0.259 44.606 45.100 -0.392 0.000 0.791 466 G HN 0.972 nan 8.290 nan 0.000 0.505 467 G N -1.338 107.359 108.800 -0.172 0.000 2.454 467 G HA2 0.612 4.571 3.960 -0.001 0.000 0.329 467 G HA3 0.612 4.571 3.960 -0.001 0.000 0.329 467 G C -1.289 173.672 174.900 0.101 0.000 1.177 467 G CA -0.554 44.517 45.100 -0.047 0.000 0.951 467 G HN 0.419 nan 8.290 nan 0.000 0.485 468 Y N 0.394 120.630 120.300 -0.107 0.000 2.392 468 Y HA 0.411 4.960 4.550 -0.001 0.000 0.323 468 Y C 1.517 177.392 175.900 -0.041 0.000 1.291 468 Y CA -0.640 57.412 58.100 -0.081 0.000 1.345 468 Y CB 1.150 39.559 38.460 -0.085 0.000 1.320 468 Y HN 0.853 nan 8.280 nan 0.000 0.518 469 K N -0.509 119.942 120.400 0.085 0.000 1.931 469 K HA -0.333 3.987 4.320 -0.001 0.000 0.126 469 K C 0.723 177.332 176.600 0.016 0.000 1.372 469 K CA 2.096 58.403 56.287 0.033 0.000 0.483 469 K CB -1.047 31.483 32.500 0.049 0.000 0.562 469 K HN 0.671 nan 8.250 nan 0.000 0.923 470 M N 0.986 120.584 119.600 -0.003 0.000 2.633 470 M HA 0.024 4.504 4.480 -0.001 0.000 0.226 470 M C 0.843 177.188 176.300 0.077 0.000 1.137 470 M CA 0.516 55.805 55.300 -0.018 0.000 1.020 470 M CB 0.192 32.717 32.600 -0.126 0.000 1.675 470 M HN 0.295 nan 8.290 nan 0.000 0.500 471 S N 0.383 116.171 115.700 0.146 0.000 2.593 471 S HA 0.352 4.822 4.470 -0.001 0.000 0.217 471 S C 0.820 175.496 174.600 0.127 0.000 0.966 471 S CA 0.398 58.728 58.200 0.216 0.000 0.914 471 S CB 0.229 63.551 63.200 0.204 0.000 0.776 471 S HN 0.760 nan 8.310 nan 0.000 0.523 472 G N 0.769 109.619 108.800 0.083 0.000 2.359 472 G HA2 0.270 4.229 3.960 -0.001 0.000 0.303 472 G HA3 0.270 4.229 3.960 -0.001 0.000 0.303 472 G C -1.144 173.764 174.900 0.013 0.000 1.293 472 G CA -0.408 44.729 45.100 0.061 0.000 0.964 472 G HN 0.674 nan 8.290 nan 0.000 0.531 473 S N -1.124 114.578 115.700 0.002 0.000 2.546 473 S HA 1.008 5.477 4.470 -0.001 0.000 0.274 473 S C 0.454 175.031 174.600 -0.038 0.000 1.121 473 S CA 0.539 58.718 58.200 -0.036 0.000 0.887 473 S CB 1.586 64.765 63.200 -0.035 0.000 1.094 473 S HN 3.033 nan 8.310 nan 0.000 0.474 474 G N 1.677 110.439 108.800 -0.063 0.000 2.796 474 G HA2 0.101 4.061 3.960 -0.001 0.000 0.571 474 G HA3 0.101 4.061 3.960 -0.001 0.000 0.571 474 G C -1.357 173.510 174.900 -0.055 0.000 1.370 474 G CA -0.874 44.191 45.100 -0.058 0.000 0.856 474 G HN 0.863 nan 8.290 nan 0.000 0.538 475 R N 0.209 120.688 120.500 -0.035 0.000 2.725 475 R HA 0.588 4.928 4.340 -0.001 0.000 0.277 475 R C -0.269 176.046 176.300 0.024 0.000 0.987 475 R CA -0.727 55.355 56.100 -0.030 0.000 0.901 475 R CB 1.790 32.040 30.300 -0.083 0.000 1.207 475 R HN 0.784 nan 8.270 nan 0.000 0.463 476 E N 1.774 121.998 120.200 0.040 0.000 2.249 476 E HA 0.635 4.985 4.350 -0.001 0.000 0.263 476 E C -0.277 176.320 176.600 -0.005 0.000 0.950 476 E CA -0.954 55.470 56.400 0.040 0.000 0.827 476 E CB 1.731 31.457 29.700 0.042 0.000 1.220 476 E HN 0.315 nan 8.360 nan 0.000 0.411 477 L N -0.114 121.134 121.223 0.042 0.000 0.585 477 L HA -0.264 4.076 4.340 -0.001 0.000 0.356 477 L C 0.669 177.645 176.870 0.178 0.000 0.963 477 L CA 0.742 55.614 54.840 0.052 0.000 1.223 477 L CB -1.344 40.563 42.059 -0.253 0.000 0.011 477 L HN 1.028 nan 8.230 nan 0.000 0.091 478 G N 0.331 109.186 108.800 0.091 0.000 2.692 478 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.248 478 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.248 478 G C 0.439 175.541 174.900 0.336 0.000 1.340 478 G CA 0.955 46.214 45.100 0.265 0.000 0.896 478 G HN 1.154 nan 8.290 nan 0.000 0.570 479 E N -1.059 119.280 120.200 0.233 0.000 2.150 479 E HA -0.086 4.264 4.350 -0.001 0.000 0.193 479 E C 2.200 178.612 176.600 -0.312 0.000 0.985 479 E CA 1.599 57.818 56.400 -0.302 0.000 0.814 479 E CB -0.150 29.414 29.700 -0.226 0.000 0.752 479 E HN 0.625 nan 8.360 nan 0.000 0.466 480 Y N -0.044 120.225 120.300 -0.050 0.000 2.256 480 Y HA -0.095 4.455 4.550 -0.001 0.000 0.288 480 Y C 2.419 178.276 175.900 -0.071 0.000 1.155 480 Y CA 1.149 59.222 58.100 -0.046 0.000 1.203 480 Y CB -0.684 37.767 38.460 -0.015 0.000 0.980 480 Y HN 0.162 nan 8.280 nan 0.000 0.530 481 G N -0.368 108.518 108.800 0.144 0.000 2.535 481 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.218 481 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.218 481 G C 1.419 176.310 174.900 -0.014 0.000 1.122 481 G CA 0.649 45.815 45.100 0.110 0.000 0.769 481 G HN 0.410 nan 8.290 nan 0.000 0.549 482 L N -0.844 120.249 121.223 -0.217 0.000 2.416 482 L HA 0.092 4.432 4.340 -0.001 0.000 0.216 482 L C 2.881 179.576 176.870 -0.291 0.000 1.098 482 L CA 0.188 54.776 54.840 -0.421 0.000 0.840 482 L CB -0.218 41.155 42.059 -1.145 0.000 0.981 482 L HN 0.208 nan 8.230 nan 0.000 0.462 483 Q N 0.567 120.263 119.800 -0.173 0.000 2.030 483 Q HA -0.218 4.122 4.340 -0.001 0.000 0.204 483 Q C 2.419 178.359 176.000 -0.100 0.000 0.986 483 Q CA 1.941 57.716 55.803 -0.047 0.000 0.843 483 Q CB -0.302 28.433 28.738 -0.005 0.000 0.904 483 Q HN 0.553 nan 8.270 nan 0.000 0.420 484 A N -0.226 122.477 122.820 -0.194 0.000 2.125 484 A HA -0.135 4.185 4.320 -0.001 0.000 0.219 484 A C 0.907 178.230 177.584 -0.436 0.000 1.156 484 A CA 0.941 52.775 52.037 -0.340 0.000 0.671 484 A CB -0.391 18.322 19.000 -0.479 0.000 0.794 484 A HN 0.449 nan 8.150 nan 0.000 0.459 485 Y N -0.192 120.062 120.300 -0.077 0.000 2.625 485 Y HA 0.235 4.785 4.550 -0.001 0.000 0.285 485 Y C 0.174 176.049 175.900 -0.041 0.000 1.168 485 Y CA -0.146 57.914 58.100 -0.067 0.000 1.250 485 Y CB 0.445 38.850 38.460 -0.091 0.000 1.130 485 Y HN 0.055 nan 8.280 nan 0.000 0.526 486 T N 0.123 114.704 114.554 0.045 0.000 2.886 486 T HA 0.314 4.663 4.350 -0.001 0.000 0.292 486 T C -1.088 173.601 174.700 -0.019 0.000 1.012 486 T CA -0.709 61.414 62.100 0.039 0.000 0.982 486 T CB 2.030 70.928 68.868 0.050 0.000 1.018 486 T HN -0.049 nan 8.240 nan 0.000 0.451 487 E N 2.185 122.389 120.200 0.007 0.000 2.145 487 E HA 0.506 4.856 4.350 -0.001 0.000 0.270 487 E C -1.014 175.579 176.600 -0.012 0.000 0.906 487 E CA -0.577 55.822 56.400 -0.003 0.000 0.761 487 E CB 0.937 30.660 29.700 0.038 0.000 1.116 487 E HN 0.338 nan 8.360 nan 0.000 0.408 488 V N 5.495 125.382 119.914 -0.045 0.000 2.432 488 V HA 0.296 4.416 4.120 -0.001 0.000 0.271 488 V C 0.191 176.285 176.094 0.001 0.000 1.046 488 V CA -0.396 61.892 62.300 -0.019 0.000 0.945 488 V CB 0.970 32.764 31.823 -0.048 0.000 0.992 488 V HN 0.550 nan 8.190 nan 0.000 0.471 489 K N 3.289 123.701 120.400 0.019 0.000 2.323 489 K HA 0.531 4.851 4.320 -0.001 0.000 0.259 489 K C -0.653 175.896 176.600 -0.085 0.000 0.947 489 K CA -0.401 55.869 56.287 -0.028 0.000 0.819 489 K CB 1.638 34.127 32.500 -0.019 0.000 1.109 489 K HN 0.690 nan 8.250 nan 0.000 0.429 490 T N 2.802 117.276 114.554 -0.133 0.000 2.799 490 T HA 0.311 4.661 4.350 -0.001 0.000 0.286 490 T C -0.736 173.766 174.700 -0.330 0.000 0.973 490 T CA -0.549 61.419 62.100 -0.220 0.000 1.035 490 T CB 1.248 70.018 68.868 -0.164 0.000 0.932 490 T HN 0.288 nan 8.240 nan 0.000 0.469 491 V N 4.051 123.609 119.914 -0.594 0.000 2.376 491 V HA 0.398 4.518 4.120 -0.001 0.000 0.287 491 V C 0.076 175.798 176.094 -0.621 0.000 1.015 491 V CA -0.762 61.133 62.300 -0.674 0.000 0.834 491 V CB 1.625 32.797 31.823 -1.086 0.000 1.001 491 V HN 0.970 nan 8.190 nan 0.000 0.428 492 T N 4.753 119.107 114.554 -0.333 0.000 2.821 492 T HA 0.502 4.852 4.350 -0.001 0.000 0.307 492 T C -0.211 174.466 174.700 -0.039 0.000 1.034 492 T CA -0.311 61.666 62.100 -0.205 0.000 0.953 492 T CB 1.245 69.973 68.868 -0.233 0.000 0.968 492 T HN 0.316 nan 8.240 nan 0.000 0.462 493 V N 4.182 124.145 119.914 0.082 0.000 2.427 493 V HA 0.408 4.528 4.120 -0.001 0.000 0.286 493 V C 0.487 176.801 176.094 0.367 0.000 1.034 493 V CA -1.089 61.340 62.300 0.215 0.000 0.893 493 V CB 1.591 33.567 31.823 0.255 0.000 0.982 493 V HN 0.743 nan 8.190 nan 0.000 0.452 494 K N 4.383 124.974 120.400 0.320 0.000 2.350 494 K HA 0.519 4.839 4.320 -0.001 0.000 0.279 494 K C -0.585 176.045 176.600 0.049 0.000 1.027 494 K CA -0.309 56.077 56.287 0.165 0.000 0.969 494 K CB 1.192 33.765 32.500 0.122 0.000 0.954 494 K HN 0.635 nan 8.250 nan 0.000 0.474 495 V N 1.538 121.408 119.914 -0.073 0.000 3.001 495 V HA 0.415 4.535 4.120 -0.001 0.000 0.314 495 V C -2.156 173.881 176.094 -0.096 0.000 1.099 495 V CA -2.019 60.258 62.300 -0.039 0.000 0.989 495 V CB 1.310 33.132 31.823 -0.001 0.000 1.040 495 V HN 0.704 nan 8.190 nan 0.000 0.434 496 P HA -0.103 nan 4.420 nan 0.000 0.213 496 P C 0.077 177.330 177.300 -0.078 0.000 1.170 496 P CA 1.411 64.474 63.100 -0.063 0.000 0.902 496 P CB 0.142 31.817 31.700 -0.042 0.000 0.789 497 Q N -1.141 118.616 119.800 -0.071 0.000 2.371 497 Q HA 0.149 4.489 4.340 -0.001 0.000 0.244 497 Q C -1.044 174.922 176.000 -0.058 0.000 0.882 497 Q CA -0.756 55.006 55.803 -0.068 0.000 0.866 497 Q CB 1.050 29.758 28.738 -0.050 0.000 1.399 497 Q HN -0.208 nan 8.270 nan 0.000 0.432 498 K N 3.713 124.077 120.400 -0.059 0.000 2.350 498 K HA 0.265 4.584 4.320 -0.001 0.000 0.279 498 K C -1.160 175.426 176.600 -0.023 0.000 1.027 498 K CA 0.391 56.659 56.287 -0.032 0.000 0.969 498 K CB 0.540 33.035 32.500 -0.009 0.000 0.954 498 K HN 0.741 nan 8.250 nan 0.000 0.474 499 N N 1.394 120.081 118.700 -0.022 0.000 2.242 499 N HA 0.104 4.844 4.740 -0.001 0.000 0.292 499 N C -0.693 174.809 175.510 -0.014 0.000 1.125 499 N CA -0.535 52.504 53.050 -0.019 0.000 0.783 499 N CB 1.832 40.302 38.487 -0.028 0.000 1.558 499 N HN 0.705 nan 8.380 nan 0.000 0.472 500 S N 0.000 115.695 115.700 -0.008 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 500 S CA 0.000 58.197 58.200 -0.004 0.000 1.107 500 S CB 0.000 63.200 63.200 0.000 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517