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 1o00_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 0.000 177.565 177.584 -0.032 0.000 1.274 7 A CA 0.000 52.047 52.037 0.017 0.000 0.836 7 A CB 0.000 19.028 19.000 0.047 0.000 0.831 8 V N 2.255 122.120 119.914 -0.082 0.000 2.455 8 V HA 0.303 4.422 4.120 -0.001 0.000 0.273 8 V C -1.891 174.089 176.094 -0.191 0.000 1.045 8 V CA -0.969 61.168 62.300 -0.272 0.000 0.976 8 V CB 0.449 32.156 31.823 -0.195 0.000 0.993 8 V HN 0.436 nan 8.190 nan 0.000 0.475 9 P HA 0.228 nan 4.420 nan 0.000 0.268 9 P C -0.163 177.147 177.300 0.016 0.000 1.205 9 P CA -0.083 62.962 63.100 -0.091 0.000 0.771 9 P CB 0.466 32.122 31.700 -0.074 0.000 0.858 10 A N 4.923 127.743 122.820 -0.000 0.000 2.548 10 A HA 0.291 4.611 4.320 -0.001 0.000 0.247 10 A C -1.684 175.834 177.584 -0.111 0.000 1.067 10 A CA -0.637 51.377 52.037 -0.038 0.000 0.757 10 A CB -1.003 17.970 19.000 -0.045 0.000 0.996 10 A HN 0.426 nan 8.150 nan 0.000 0.504 11 P HA 0.166 nan 4.420 nan 0.000 0.279 11 P C -0.879 176.202 177.300 -0.365 0.000 1.252 11 P CA -0.725 62.047 63.100 -0.546 0.000 0.811 11 P CB 0.841 31.729 31.700 -1.352 0.000 1.035 12 N N 1.543 120.075 118.700 -0.279 0.000 2.437 12 N HA 0.040 4.779 4.740 -0.001 0.000 0.243 12 N C 0.753 175.964 175.510 -0.499 0.000 1.041 12 N CA 0.057 52.950 53.050 -0.261 0.000 0.940 12 N CB 0.418 38.846 38.487 -0.098 0.000 1.133 12 N HN 0.241 nan 8.380 nan 0.000 0.506 13 Q N 1.322 120.688 119.800 -0.723 0.000 2.500 13 Q HA 0.001 4.341 4.340 -0.001 0.000 0.213 13 Q C -0.252 175.314 176.000 -0.723 0.000 0.974 13 Q CA 0.870 55.898 55.803 -1.292 0.000 0.918 13 Q CB 0.329 28.462 28.738 -1.008 0.000 0.980 13 Q HN 0.549 nan 8.270 nan 0.000 0.505 14 Q N 0.601 120.169 119.800 -0.388 0.000 3.230 14 Q HA 0.239 4.578 4.340 -0.001 0.000 0.303 14 Q C -2.515 173.400 176.000 -0.141 0.000 0.884 14 Q CA -1.426 54.249 55.803 -0.214 0.000 0.859 14 Q CB 1.242 29.878 28.738 -0.171 0.000 1.432 14 Q HN 0.191 nan 8.270 nan 0.000 0.403 15 P HA 0.025 nan 4.420 nan 0.000 0.268 15 P C -0.044 177.215 177.300 -0.070 0.000 1.204 15 P CA 0.053 63.145 63.100 -0.014 0.000 0.768 15 P CB 1.286 32.957 31.700 -0.047 0.000 0.842 16 E N 1.699 121.825 120.200 -0.123 0.000 2.366 16 E HA 0.214 4.564 4.350 -0.001 0.000 0.266 16 E C -0.680 175.544 176.600 -0.627 0.000 1.051 16 E CA -0.663 55.498 56.400 -0.397 0.000 0.884 16 E CB 0.715 30.106 29.700 -0.515 0.000 1.006 16 E HN 0.165 nan 8.360 nan 0.000 0.417 17 V N 5.945 125.544 119.914 -0.524 0.000 2.383 17 V HA 0.124 4.243 4.120 -0.001 0.000 0.275 17 V C 0.063 175.869 176.094 -0.480 0.000 1.036 17 V CA -0.006 62.056 62.300 -0.397 0.000 0.889 17 V CB 0.798 32.497 31.823 -0.207 0.000 0.985 17 V HN 0.717 nan 8.190 nan 0.000 0.459 18 F N 1.633 121.598 119.950 0.025 0.000 2.694 18 F HA 0.249 4.776 4.527 -0.001 0.000 0.292 18 F C 0.945 176.630 175.800 -0.192 0.000 1.121 18 F CA -0.074 57.903 58.000 -0.038 0.000 1.352 18 F CB 0.417 39.448 39.000 0.052 0.000 1.107 18 F HN 0.386 nan 8.300 nan 0.000 0.597 19 C N 1.767 121.031 119.300 -0.060 0.000 2.396 19 C HA 0.466 4.926 4.460 -0.001 0.000 0.321 19 C C 0.092 174.888 174.990 -0.323 0.000 1.233 19 C CA -0.837 57.901 59.018 -0.467 0.000 1.440 19 C CB 0.660 28.071 27.740 -0.549 0.000 2.110 19 C HN 0.539 nan 8.230 nan 0.000 0.473 20 N N 0.989 119.473 118.700 -0.360 0.000 2.423 20 N HA 0.087 4.827 4.740 -0.001 0.000 0.262 20 N C -0.628 174.834 175.510 -0.080 0.000 1.467 20 N CA -0.294 52.649 53.050 -0.177 0.000 0.847 20 N CB -0.116 38.268 38.487 -0.171 0.000 1.394 20 N HN 0.806 nan 8.380 nan 0.000 0.495 21 Q N -0.195 119.617 119.800 0.021 0.000 3.017 21 Q HA 0.578 4.918 4.340 -0.001 0.000 0.299 21 Q C -0.611 175.709 176.000 0.534 0.000 1.046 21 Q CA -1.054 54.912 55.803 0.271 0.000 0.821 21 Q CB 1.927 30.859 28.738 0.324 0.000 1.481 21 Q HN 0.137 nan 8.270 nan 0.000 0.494 22 I N 1.246 122.099 120.570 0.471 0.000 2.395 22 I HA 0.152 4.322 4.170 -0.001 0.000 0.289 22 I C -0.744 175.618 176.117 0.409 0.000 1.023 22 I CA -0.105 61.427 61.300 0.386 0.000 1.350 22 I CB 0.421 38.554 38.000 0.223 0.000 1.409 22 I HN 0.367 nan 8.210 nan 0.000 0.507 23 F N 8.334 128.301 119.950 0.028 0.000 2.313 23 F HA 0.584 5.110 4.527 -0.001 0.000 0.369 23 F C -0.460 175.218 175.800 -0.203 0.000 1.109 23 F CA -0.393 57.412 58.000 -0.326 0.000 1.132 23 F CB 0.270 38.926 39.000 -0.574 0.000 1.291 23 F HN 0.182 nan 8.300 nan 0.000 0.496 24 I N 5.415 125.694 120.570 -0.486 0.000 2.533 24 I HA 0.219 4.389 4.170 -0.001 0.000 0.290 24 I C -0.325 175.525 176.117 -0.446 0.000 1.056 24 I CA -1.069 59.968 61.300 -0.438 0.000 1.057 24 I CB 1.794 39.521 38.000 -0.454 0.000 1.240 24 I HN 0.452 nan 8.210 nan 0.000 0.423 25 N N 4.753 123.205 118.700 -0.413 0.000 2.725 25 N HA -0.212 4.528 4.740 -0.001 0.000 0.251 25 N C -0.093 175.156 175.510 -0.435 0.000 1.031 25 N CA 0.769 53.632 53.050 -0.311 0.000 0.720 25 N CB -0.920 37.478 38.487 -0.149 0.000 0.930 25 N HN 0.779 nan 8.380 nan 0.000 0.543 26 N N -1.166 117.040 118.700 -0.823 0.000 2.693 26 N HA -0.218 4.521 4.740 -0.001 0.000 0.249 26 N C -0.627 174.480 175.510 -0.672 0.000 1.119 26 N CA 1.700 54.276 53.050 -0.789 0.000 0.717 26 N CB -0.745 37.615 38.487 -0.211 0.000 1.071 26 N HN 0.727 nan 8.380 nan 0.000 0.555 27 E N -1.602 118.100 120.200 -0.829 0.000 2.369 27 E HA 0.447 4.797 4.350 -0.001 0.000 0.270 27 E C -0.713 175.562 176.600 -0.542 0.000 0.909 27 E CA -0.734 55.361 56.400 -0.509 0.000 0.775 27 E CB 1.109 30.612 29.700 -0.329 0.000 1.270 27 E HN 0.130 nan 8.360 nan 0.000 0.445 28 W N 1.849 123.083 121.300 -0.110 0.000 2.361 28 W HA 0.317 4.977 4.660 -0.001 0.000 0.309 28 W C 0.202 176.637 176.519 -0.139 0.000 1.122 28 W CA -0.319 57.040 57.345 0.022 0.000 1.208 28 W CB 0.823 30.333 29.460 0.083 0.000 1.246 28 W HN 0.279 nan 8.180 nan 0.000 0.490 29 H N 1.819 121.048 119.070 0.265 0.000 2.622 29 H HA 0.256 4.811 4.556 -0.001 0.000 0.363 29 H C -0.583 174.847 175.328 0.170 0.000 1.151 29 H CA -1.025 55.118 56.048 0.158 0.000 1.184 29 H CB 2.029 31.837 29.762 0.076 0.000 1.643 29 H HN 0.243 nan 8.280 nan 0.000 0.531 30 D N 0.566 121.112 120.400 0.242 0.000 2.387 30 D HA 0.297 4.937 4.640 -0.001 0.000 0.251 30 D C 0.299 176.699 176.300 0.166 0.000 1.141 30 D CA -0.444 53.660 54.000 0.173 0.000 0.987 30 D CB 1.306 42.178 40.800 0.119 0.000 1.116 30 D HN 0.602 nan 8.370 nan 0.000 0.491 31 A N 0.519 123.423 122.820 0.140 0.000 2.445 31 A HA 0.128 4.448 4.320 -0.001 0.000 0.242 31 A C 1.518 179.164 177.584 0.103 0.000 1.075 31 A CA -0.441 51.671 52.037 0.125 0.000 0.777 31 A CB 0.351 19.431 19.000 0.133 0.000 1.013 31 A HN 0.403 nan 8.150 nan 0.000 0.493 32 V N 2.267 122.233 119.914 0.086 0.000 2.392 32 V HA -0.250 3.870 4.120 -0.001 0.000 0.249 32 V C 2.713 178.848 176.094 0.068 0.000 1.059 32 V CA 2.761 65.104 62.300 0.071 0.000 1.051 32 V CB -0.881 30.976 31.823 0.055 0.000 0.658 32 V HN 1.120 nan 8.190 nan 0.000 0.455 33 S N -1.100 114.644 115.700 0.074 0.000 2.515 33 S HA -0.122 4.348 4.470 -0.001 0.000 0.231 33 S C 1.323 175.966 174.600 0.073 0.000 0.987 33 S CA 0.390 58.632 58.200 0.070 0.000 0.936 33 S CB -0.103 63.143 63.200 0.077 0.000 0.766 33 S HN 0.518 nan 8.310 nan 0.000 0.528 34 R N -0.210 120.339 120.500 0.081 0.000 3.922 34 R HA -0.094 4.245 4.340 -0.001 0.000 0.447 34 R C -0.613 175.737 176.300 0.084 0.000 1.035 34 R CA 1.149 57.296 56.100 0.078 0.000 1.289 34 R CB -2.285 28.052 30.300 0.062 0.000 1.906 34 R HN 0.579 nan 8.270 nan 0.000 0.540 35 K N 1.287 121.748 120.400 0.102 0.000 2.258 35 K HA 0.279 4.599 4.320 -0.001 0.000 0.264 35 K C 0.812 177.501 176.600 0.148 0.000 1.007 35 K CA 0.735 57.096 56.287 0.123 0.000 0.941 35 K CB 0.680 33.266 32.500 0.144 0.000 0.966 35 K HN 0.272 nan 8.250 nan 0.000 0.480 36 T N -1.111 113.535 114.554 0.153 0.000 2.896 36 T HA 0.665 5.014 4.350 -0.001 0.000 0.297 36 T C -0.863 173.972 174.700 0.224 0.000 1.108 36 T CA -1.055 61.122 62.100 0.127 0.000 1.004 36 T CB 0.731 69.605 68.868 0.010 0.000 1.159 36 T HN 0.474 nan 8.240 nan 0.000 0.499 37 F N -0.580 119.412 119.950 0.070 0.000 2.563 37 F HA 0.878 5.405 4.527 -0.001 0.000 0.316 37 F C -3.075 172.752 175.800 0.046 0.000 1.076 37 F CA -2.941 55.120 58.000 0.101 0.000 0.921 37 F CB 1.597 40.683 39.000 0.144 0.000 1.209 37 F HN 0.406 nan 8.300 nan 0.000 0.462 38 P HA 0.182 nan 4.420 nan 0.000 0.284 38 P C -0.964 176.379 177.300 0.072 0.000 1.253 38 P CA -0.179 62.934 63.100 0.022 0.000 0.800 38 P CB 1.959 33.700 31.700 0.068 0.000 0.961 39 T N 1.914 116.448 114.554 -0.033 0.000 2.792 39 T HA 0.397 4.746 4.350 -0.001 0.000 0.280 39 T C -0.450 174.251 174.700 0.001 0.000 0.990 39 T CA -0.497 61.611 62.100 0.013 0.000 0.960 39 T CB 0.291 69.136 68.868 -0.038 0.000 0.939 39 T HN 0.067 nan 8.240 nan 0.000 0.439 40 V N 5.349 125.276 119.914 0.021 0.000 2.716 40 V HA 0.467 4.587 4.120 -0.001 0.000 0.304 40 V C 0.504 176.595 176.094 -0.005 0.000 1.053 40 V CA -1.109 61.199 62.300 0.014 0.000 0.984 40 V CB 1.658 33.513 31.823 0.053 0.000 1.021 40 V HN 0.867 nan 8.190 nan 0.000 0.467 41 N N 5.027 123.716 118.700 -0.019 0.000 2.420 41 N HA 0.275 5.015 4.740 -0.001 0.000 0.249 41 N C -1.335 174.135 175.510 -0.065 0.000 1.033 41 N CA -2.212 50.816 53.050 -0.037 0.000 0.944 41 N CB 1.640 40.110 38.487 -0.028 0.000 1.113 41 N HN 0.307 nan 8.380 nan 0.000 0.502 42 P HA -0.071 nan 4.420 nan 0.000 0.222 42 P C 0.662 177.750 177.300 -0.353 0.000 1.147 42 P CA 0.858 63.900 63.100 -0.096 0.000 0.790 42 P CB 0.422 32.096 31.700 -0.043 0.000 0.780 43 S N -0.400 115.159 115.700 -0.235 0.000 2.428 43 S HA -0.057 4.413 4.470 -0.001 0.000 0.230 43 S C 1.876 176.441 174.600 -0.058 0.000 1.014 43 S CA 1.921 60.037 58.200 -0.139 0.000 0.957 43 S CB -0.743 62.484 63.200 0.046 0.000 0.784 43 S HN 0.468 nan 8.310 nan 0.000 0.499 44 T N -3.363 111.114 114.554 -0.129 0.000 2.955 44 T HA 0.476 4.825 4.350 -0.001 0.000 0.251 44 T C 1.488 176.066 174.700 -0.205 0.000 1.002 44 T CA 0.803 62.831 62.100 -0.119 0.000 0.970 44 T CB 0.429 69.261 68.868 -0.060 0.000 1.091 44 T HN 0.504 nan 8.240 nan 0.000 0.495 45 G N 1.467 110.103 108.800 -0.272 0.000 2.176 45 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.253 45 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.253 45 G C -0.183 174.665 174.900 -0.087 0.000 0.979 45 G CA 0.080 45.033 45.100 -0.246 0.000 0.641 45 G HN 0.599 nan 8.290 nan 0.000 0.530 46 E N -0.005 120.151 120.200 -0.073 0.000 2.283 46 E HA 0.517 4.867 4.350 -0.001 0.000 0.271 46 E C 0.598 177.182 176.600 -0.027 0.000 1.031 46 E CA -0.710 55.665 56.400 -0.041 0.000 0.868 46 E CB 1.861 31.535 29.700 -0.043 0.000 1.094 46 E HN 0.147 nan 8.360 nan 0.000 0.401 47 V N 3.741 123.643 119.914 -0.020 0.000 2.521 47 V HA 0.013 4.133 4.120 -0.001 0.000 0.286 47 V C 1.688 177.760 176.094 -0.036 0.000 1.034 47 V CA 0.284 62.572 62.300 -0.020 0.000 1.045 47 V CB 0.251 32.066 31.823 -0.014 0.000 0.974 47 V HN 0.610 nan 8.190 nan 0.000 0.480 48 I N 3.816 124.359 120.570 -0.044 0.000 2.339 48 I HA 0.044 4.214 4.170 -0.001 0.000 0.245 48 I C 0.964 177.036 176.117 -0.076 0.000 1.096 48 I CA 1.249 62.513 61.300 -0.059 0.000 1.408 48 I CB 0.201 38.165 38.000 -0.060 0.000 1.092 48 I HN 0.881 nan 8.210 nan 0.000 0.423 49 C N -2.098 117.149 119.300 -0.088 0.000 3.165 49 C HA 0.386 4.845 4.460 -0.001 0.000 0.345 49 C C -1.269 173.637 174.990 -0.140 0.000 1.367 49 C CA -1.220 57.734 59.018 -0.106 0.000 1.205 49 C CB 1.214 28.881 27.740 -0.121 0.000 1.447 49 C HN 0.148 nan 8.230 nan 0.000 0.451 50 Q N 0.556 120.268 119.800 -0.147 0.000 2.227 50 Q HA 0.764 5.104 4.340 -0.001 0.000 0.245 50 Q C -0.628 175.194 176.000 -0.297 0.000 0.926 50 Q CA -0.243 55.441 55.803 -0.198 0.000 0.895 50 Q CB 1.906 30.575 28.738 -0.114 0.000 1.230 50 Q HN 0.768 nan 8.270 nan 0.000 0.450 51 V N 0.532 120.134 119.914 -0.520 0.000 2.760 51 V HA 0.466 4.586 4.120 -0.001 0.000 0.309 51 V C -0.462 175.380 176.094 -0.419 0.000 1.077 51 V CA -1.282 60.678 62.300 -0.566 0.000 0.910 51 V CB 1.888 33.160 31.823 -0.919 0.000 1.008 51 V HN 0.899 nan 8.190 nan 0.000 0.424 52 A N 2.694 125.452 122.820 -0.103 0.000 2.566 52 A HA 0.141 4.460 4.320 -0.001 0.000 0.245 52 A C 0.443 178.177 177.584 0.251 0.000 1.056 52 A CA 0.379 52.465 52.037 0.082 0.000 0.757 52 A CB -0.139 18.943 19.000 0.137 0.000 0.979 52 A HN 0.906 nan 8.150 nan 0.000 0.508 53 E N 3.193 123.587 120.200 0.324 0.000 1.924 53 E HA 0.346 4.695 4.350 -0.001 0.000 0.261 53 E C 0.692 177.431 176.600 0.232 0.000 1.088 53 E CA -0.262 56.382 56.400 0.407 0.000 0.909 53 E CB 0.108 30.073 29.700 0.441 0.000 1.112 53 E HN 0.807 nan 8.360 nan 0.000 0.425 54 G N 3.373 112.288 108.800 0.192 0.000 2.491 54 G HA2 0.029 3.989 3.960 -0.001 0.000 0.242 54 G HA3 0.029 3.989 3.960 -0.001 0.000 0.242 54 G C -0.272 174.694 174.900 0.110 0.000 1.266 54 G CA -0.218 44.962 45.100 0.134 0.000 0.844 54 G HN 0.566 nan 8.290 nan 0.000 0.571 55 D N -0.300 120.158 120.400 0.096 0.000 2.904 55 D HA 0.201 4.841 4.640 -0.001 0.000 0.290 55 D C 1.389 177.732 176.300 0.072 0.000 1.180 55 D CA -0.790 53.261 54.000 0.086 0.000 1.065 55 D CB 1.490 42.341 40.800 0.085 0.000 1.386 55 D HN 0.277 nan 8.370 nan 0.000 0.599 56 K N 0.364 120.802 120.400 0.064 0.000 2.044 56 K HA -0.178 4.142 4.320 -0.001 0.000 0.210 56 K C 1.553 178.192 176.600 0.065 0.000 1.049 56 K CA 1.746 58.071 56.287 0.064 0.000 0.927 56 K CB 0.025 32.552 32.500 0.046 0.000 0.713 56 K HN 0.318 nan 8.250 nan 0.000 0.443 57 E N 0.279 120.511 120.200 0.053 0.000 2.118 57 E HA -0.192 4.158 4.350 -0.001 0.000 0.195 57 E C 1.705 178.327 176.600 0.036 0.000 0.992 57 E CA 1.356 57.783 56.400 0.045 0.000 0.804 57 E CB -0.047 29.677 29.700 0.039 0.000 0.741 57 E HN 0.474 nan 8.360 nan 0.000 0.458 58 D N 0.402 120.825 120.400 0.038 0.000 2.149 58 D HA -0.095 4.544 4.640 -0.001 0.000 0.201 58 D C 2.131 178.434 176.300 0.004 0.000 0.972 58 D CA 0.717 54.726 54.000 0.016 0.000 0.835 58 D CB 0.067 40.893 40.800 0.042 0.000 0.966 58 D HN 0.045 nan 8.370 nan 0.000 0.476 59 V N 1.946 121.879 119.914 0.033 0.000 2.407 59 V HA -0.203 3.917 4.120 -0.001 0.000 0.248 59 V C 1.941 178.041 176.094 0.010 0.000 1.055 59 V CA 1.597 63.912 62.300 0.025 0.000 1.049 59 V CB -0.368 31.495 31.823 0.067 0.000 0.662 59 V HN 0.024 nan 8.190 nan 0.000 0.455 60 D N 0.089 120.531 120.400 0.071 0.000 2.117 60 D HA -0.157 4.483 4.640 -0.001 0.000 0.197 60 D C 2.267 178.578 176.300 0.018 0.000 0.987 60 D CA 1.244 55.311 54.000 0.111 0.000 0.829 60 D CB -0.156 40.719 40.800 0.125 0.000 0.961 60 D HN 0.421 nan 8.370 nan 0.000 0.460 61 K N 0.507 120.895 120.400 -0.021 0.000 2.057 61 K HA -0.027 4.293 4.320 -0.001 0.000 0.206 61 K C 2.137 178.675 176.600 -0.103 0.000 1.050 61 K CA 1.097 57.342 56.287 -0.069 0.000 0.935 61 K CB -0.062 32.369 32.500 -0.116 0.000 0.715 61 K HN 0.015 nan 8.250 nan 0.000 0.439 62 A N 0.962 123.718 122.820 -0.107 0.000 1.877 62 A HA -0.136 4.183 4.320 -0.001 0.000 0.216 62 A C 2.365 179.878 177.584 -0.118 0.000 1.186 62 A CA 1.525 53.492 52.037 -0.116 0.000 0.620 62 A CB -0.741 18.207 19.000 -0.087 0.000 0.822 62 A HN 0.073 nan 8.150 nan 0.000 0.443 63 V N 0.215 120.038 119.914 -0.152 0.000 2.343 63 V HA -0.283 3.837 4.120 -0.001 0.000 0.247 63 V C 2.441 178.464 176.094 -0.119 0.000 1.051 63 V CA 2.379 64.551 62.300 -0.214 0.000 1.036 63 V CB -0.702 30.817 31.823 -0.507 0.000 0.654 63 V HN 0.549 nan 8.190 nan 0.000 0.451 64 K N 0.236 120.594 120.400 -0.071 0.000 2.097 64 K HA -0.090 4.229 4.320 -0.001 0.000 0.205 64 K C 2.322 178.909 176.600 -0.023 0.000 1.050 64 K CA 1.399 57.672 56.287 -0.023 0.000 0.938 64 K CB -0.393 32.105 32.500 -0.004 0.000 0.718 64 K HN 0.475 nan 8.250 nan 0.000 0.442 65 A N 1.636 124.425 122.820 -0.052 0.000 1.902 65 A HA -0.108 4.212 4.320 -0.001 0.000 0.217 65 A C 2.396 179.961 177.584 -0.031 0.000 1.181 65 A CA 1.808 53.813 52.037 -0.053 0.000 0.623 65 A CB -0.689 18.251 19.000 -0.101 0.000 0.818 65 A HN 0.322 nan 8.150 nan 0.000 0.443 66 A N -0.173 122.620 122.820 -0.044 0.000 1.877 66 A HA -0.165 4.155 4.320 -0.001 0.000 0.216 66 A C 2.187 179.805 177.584 0.057 0.000 1.186 66 A CA 2.198 54.223 52.037 -0.019 0.000 0.620 66 A CB -0.465 18.499 19.000 -0.060 0.000 0.822 66 A HN 0.455 nan 8.150 nan 0.000 0.443 67 R N 0.290 120.815 120.500 0.041 0.000 2.081 67 R HA -0.048 4.292 4.340 -0.001 0.000 0.235 67 R C 2.119 178.509 176.300 0.149 0.000 1.131 67 R CA 2.029 58.192 56.100 0.106 0.000 0.960 67 R CB -0.972 29.366 30.300 0.064 0.000 0.856 67 R HN 0.398 nan 8.270 nan 0.000 0.436 68 A N 0.163 123.038 122.820 0.090 0.000 1.902 68 A HA -0.019 4.301 4.320 -0.001 0.000 0.217 68 A C 2.341 179.990 177.584 0.109 0.000 1.181 68 A CA 1.769 53.855 52.037 0.082 0.000 0.623 68 A CB -1.043 17.983 19.000 0.043 0.000 0.818 68 A HN 0.478 nan 8.150 nan 0.000 0.443 69 A N -2.152 120.740 122.820 0.120 0.000 2.067 69 A HA 0.057 4.376 4.320 -0.001 0.000 0.219 69 A C 1.754 179.510 177.584 0.287 0.000 1.158 69 A CA 1.271 53.402 52.037 0.156 0.000 0.661 69 A CB -0.537 18.513 19.000 0.083 0.000 0.801 69 A HN 0.609 nan 8.150 nan 0.000 0.452 70 F N 0.354 120.387 119.950 0.137 0.000 2.765 70 F HA 0.191 4.717 4.527 -0.001 0.000 0.302 70 F C 0.683 176.557 175.800 0.122 0.000 1.111 70 F CA -0.242 57.863 58.000 0.175 0.000 1.359 70 F CB 0.147 39.234 39.000 0.146 0.000 1.097 70 F HN 0.101 nan 8.300 nan 0.000 0.577 71 Q N 1.564 121.409 119.800 0.074 0.000 2.361 71 Q HA 0.040 4.380 4.340 -0.001 0.000 0.276 71 Q C -0.228 175.714 176.000 -0.095 0.000 1.022 71 Q CA -0.217 55.583 55.803 -0.004 0.000 0.898 71 Q CB 0.860 29.623 28.738 0.042 0.000 1.246 71 Q HN 0.238 nan 8.270 nan 0.000 0.410 72 L N 1.552 122.712 121.223 -0.106 0.000 2.559 72 L HA 0.137 4.476 4.340 -0.001 0.000 0.274 72 L C 1.211 178.047 176.870 -0.057 0.000 1.205 72 L CA 2.126 56.901 54.840 -0.107 0.000 0.907 72 L CB -0.014 42.003 42.059 -0.069 0.000 1.153 72 L HN 0.928 nan 8.230 nan 0.000 0.490 73 G N 1.891 110.657 108.800 -0.057 0.000 2.194 73 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.236 73 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.236 73 G C 0.316 175.212 174.900 -0.006 0.000 0.987 73 G CA 0.270 45.354 45.100 -0.026 0.000 0.635 73 G HN 1.075 nan 8.290 nan 0.000 0.520 74 S N 0.379 116.080 115.700 0.002 0.000 2.614 74 S HA 0.598 5.067 4.470 -0.001 0.000 0.265 74 S C -0.691 173.952 174.600 0.072 0.000 1.303 74 S CA -0.325 57.905 58.200 0.049 0.000 1.000 74 S CB 1.968 65.218 63.200 0.084 0.000 0.935 74 S HN -0.014 nan 8.310 nan 0.000 0.551 75 P HA -0.095 nan 4.420 nan 0.000 0.216 75 P C 1.211 178.639 177.300 0.214 0.000 1.150 75 P CA 1.149 64.328 63.100 0.131 0.000 0.837 75 P CB -0.074 31.710 31.700 0.140 0.000 0.786 76 W N 0.028 121.354 121.300 0.044 0.000 2.418 76 W HA -0.117 4.543 4.660 -0.001 0.000 0.292 76 W C 1.678 178.222 176.519 0.042 0.000 1.213 76 W CA 0.573 57.962 57.345 0.073 0.000 1.283 76 W CB -0.055 29.476 29.460 0.117 0.000 1.119 76 W HN -0.162 nan 8.180 nan 0.000 0.542 77 R N 0.411 120.902 120.500 -0.014 0.000 2.090 77 R HA -0.037 4.303 4.340 -0.001 0.000 0.228 77 R C 2.075 178.281 176.300 -0.157 0.000 1.110 77 R CA 1.005 56.993 56.100 -0.186 0.000 0.973 77 R CB -0.690 29.490 30.300 -0.201 0.000 0.869 77 R HN 0.302 nan 8.270 nan 0.000 0.440 78 R N -0.187 120.263 120.500 -0.083 0.000 2.200 78 R HA 0.150 4.490 4.340 -0.001 0.000 0.208 78 R C 1.107 177.363 176.300 -0.073 0.000 1.033 78 R CA -0.161 55.899 56.100 -0.067 0.000 1.000 78 R CB -0.055 30.224 30.300 -0.035 0.000 0.906 78 R HN 0.111 nan 8.270 nan 0.000 0.462 79 M N 2.304 121.857 119.600 -0.079 0.000 2.248 79 M HA -0.065 4.415 4.480 -0.001 0.000 0.343 79 M C -0.722 175.526 176.300 -0.086 0.000 1.243 79 M CA 0.427 55.689 55.300 -0.064 0.000 1.025 79 M CB 0.497 33.085 32.600 -0.020 0.000 1.759 79 M HN -0.066 nan 8.290 nan 0.000 0.452 80 D N 4.035 124.411 120.400 -0.039 0.000 2.443 80 D HA 0.078 4.717 4.640 -0.001 0.000 0.239 80 D C 0.831 177.124 176.300 -0.011 0.000 1.136 80 D CA 0.529 54.517 54.000 -0.019 0.000 0.879 80 D CB 1.075 41.877 40.800 0.005 0.000 1.195 80 D HN 0.762 nan 8.370 nan 0.000 0.443 81 A N 2.390 125.196 122.820 -0.024 0.000 1.940 81 A HA -0.219 4.101 4.320 -0.001 0.000 0.219 81 A C 2.130 179.724 177.584 0.016 0.000 1.176 81 A CA 2.171 54.195 52.037 -0.021 0.000 0.631 81 A CB -0.596 18.409 19.000 0.008 0.000 0.814 81 A HN 0.598 nan 8.150 nan 0.000 0.446 82 S N -1.074 114.648 115.700 0.036 0.000 2.399 82 S HA -0.260 4.209 4.470 -0.001 0.000 0.231 82 S C 1.864 176.500 174.600 0.059 0.000 1.022 82 S CA 1.647 59.873 58.200 0.044 0.000 0.983 82 S CB -0.719 62.507 63.200 0.044 0.000 0.803 82 S HN 0.734 nan 8.310 nan 0.000 0.480 83 H N 1.581 120.637 119.070 -0.023 0.000 2.428 83 H HA 0.226 4.781 4.556 -0.001 0.000 0.296 83 H C 2.289 177.605 175.328 -0.020 0.000 1.062 83 H CA 1.377 57.410 56.048 -0.025 0.000 1.350 83 H CB -0.078 29.665 29.762 -0.032 0.000 1.403 83 H HN 0.358 nan 8.280 nan 0.000 0.533 84 R N -0.772 119.715 120.500 -0.022 0.000 2.096 84 R HA -0.059 4.281 4.340 -0.001 0.000 0.235 84 R C 2.481 178.797 176.300 0.027 0.000 1.127 84 R CA 1.007 57.111 56.100 0.005 0.000 0.968 84 R CB -0.395 29.894 30.300 -0.017 0.000 0.861 84 R HN 0.415 nan 8.270 nan 0.000 0.440 85 G N 1.145 109.953 108.800 0.014 0.000 2.402 85 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.216 85 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.216 85 G C 1.435 176.322 174.900 -0.022 0.000 1.162 85 G CA 0.152 45.269 45.100 0.029 0.000 0.777 85 G HN 0.118 nan 8.290 nan 0.000 0.539 86 R N 0.236 120.672 120.500 -0.107 0.000 2.081 86 R HA 0.063 4.402 4.340 -0.001 0.000 0.235 86 R C 2.604 178.783 176.300 -0.201 0.000 1.131 86 R CA 0.603 56.608 56.100 -0.159 0.000 0.960 86 R CB -1.042 29.115 30.300 -0.238 0.000 0.856 86 R HN 0.401 nan 8.270 nan 0.000 0.436 87 L N 0.320 121.349 121.223 -0.324 0.000 2.093 87 L HA -0.117 4.222 4.340 -0.001 0.000 0.208 87 L C 2.489 179.337 176.870 -0.037 0.000 1.085 87 L CA 0.902 55.508 54.840 -0.390 0.000 0.755 87 L CB -0.439 41.075 42.059 -0.909 0.000 0.904 87 L HN 0.109 nan 8.230 nan 0.000 0.435 88 L N -0.305 121.001 121.223 0.139 0.000 2.046 88 L HA -0.206 4.134 4.340 -0.001 0.000 0.208 88 L C 2.403 179.375 176.870 0.169 0.000 1.077 88 L CA 1.028 56.034 54.840 0.276 0.000 0.747 88 L CB -0.505 41.709 42.059 0.257 0.000 0.896 88 L HN 0.353 nan 8.230 nan 0.000 0.432 89 N N -0.172 118.584 118.700 0.093 0.000 2.188 89 N HA -0.198 4.541 4.740 -0.001 0.000 0.184 89 N C 1.949 177.500 175.510 0.067 0.000 1.018 89 N CA 0.942 54.034 53.050 0.070 0.000 0.858 89 N CB -0.150 38.358 38.487 0.036 0.000 0.989 89 N HN 0.170 nan 8.380 nan 0.000 0.426 90 R N 1.397 121.927 120.500 0.050 0.000 2.066 90 R HA -0.025 4.315 4.340 -0.001 0.000 0.232 90 R C 2.088 178.448 176.300 0.099 0.000 1.131 90 R CA 0.844 56.975 56.100 0.051 0.000 0.955 90 R CB -1.018 29.287 30.300 0.007 0.000 0.851 90 R HN 0.166 nan 8.270 nan 0.000 0.432 91 L N 0.376 121.696 121.223 0.162 0.000 2.042 91 L HA -0.010 4.329 4.340 -0.001 0.000 0.210 91 L C 2.070 179.015 176.870 0.127 0.000 1.076 91 L CA 2.277 57.225 54.840 0.180 0.000 0.749 91 L CB -1.055 41.159 42.059 0.258 0.000 0.893 91 L HN 0.276 nan 8.230 nan 0.000 0.432 92 A N -0.828 122.064 122.820 0.121 0.000 1.877 92 A HA -0.216 4.104 4.320 -0.001 0.000 0.216 92 A C 2.023 179.659 177.584 0.087 0.000 1.186 92 A CA 1.848 53.946 52.037 0.102 0.000 0.620 92 A CB -0.862 18.199 19.000 0.101 0.000 0.822 92 A HN 0.527 nan 8.150 nan 0.000 0.443 93 D N 0.026 120.474 120.400 0.080 0.000 2.144 93 D HA -0.107 4.532 4.640 -0.001 0.000 0.199 93 D C 1.951 178.300 176.300 0.080 0.000 0.984 93 D CA 0.985 55.028 54.000 0.071 0.000 0.834 93 D CB -0.292 40.544 40.800 0.060 0.000 0.955 93 D HN 0.459 nan 8.370 nan 0.000 0.465 94 L N 0.307 121.583 121.223 0.089 0.000 2.056 94 L HA -0.079 4.261 4.340 -0.001 0.000 0.207 94 L C 2.500 179.447 176.870 0.127 0.000 1.078 94 L CA 0.618 55.517 54.840 0.099 0.000 0.749 94 L CB -0.243 41.871 42.059 0.090 0.000 0.901 94 L HN 0.011 nan 8.230 nan 0.000 0.433 95 I N -0.155 120.488 120.570 0.123 0.000 2.361 95 I HA -0.285 3.885 4.170 -0.001 0.000 0.251 95 I C 2.558 178.746 176.117 0.118 0.000 1.133 95 I CA 1.254 62.637 61.300 0.138 0.000 1.413 95 I CB -0.153 37.913 38.000 0.110 0.000 1.073 95 I HN 0.348 nan 8.210 nan 0.000 0.424 96 E N 1.194 121.449 120.200 0.091 0.000 2.107 96 E HA -0.239 4.111 4.350 -0.001 0.000 0.191 96 E C 2.395 179.054 176.600 0.098 0.000 0.982 96 E CA 0.659 57.102 56.400 0.071 0.000 0.809 96 E CB 0.013 29.747 29.700 0.056 0.000 0.756 96 E HN 0.260 nan 8.360 nan 0.000 0.459 97 R N 0.420 120.985 120.500 0.108 0.000 2.091 97 R HA -0.143 4.196 4.340 -0.001 0.000 0.238 97 R C 0.351 176.738 176.300 0.147 0.000 1.136 97 R CA 1.852 58.021 56.100 0.114 0.000 0.959 97 R CB -0.010 30.351 30.300 0.101 0.000 0.856 97 R HN 0.130 nan 8.270 nan 0.000 0.437 98 D N -0.228 120.282 120.400 0.184 0.000 2.427 98 D HA 0.023 4.662 4.640 -0.001 0.000 0.224 98 D C 1.136 177.584 176.300 0.247 0.000 1.157 98 D CA -0.048 54.098 54.000 0.243 0.000 0.828 98 D CB 0.170 41.177 40.800 0.346 0.000 0.974 98 D HN 0.251 nan 8.370 nan 0.000 0.498 99 R N 0.463 121.076 120.500 0.188 0.000 2.094 99 R HA -0.150 4.190 4.340 -0.001 0.000 0.239 99 R C 1.459 177.911 176.300 0.255 0.000 1.137 99 R CA 1.678 57.860 56.100 0.136 0.000 0.943 99 R CB -0.128 30.184 30.300 0.021 0.000 0.850 99 R HN -0.013 nan 8.270 nan 0.000 0.433 100 T N 0.099 114.887 114.554 0.390 0.000 2.684 100 T HA -0.217 4.132 4.350 -0.001 0.000 0.267 100 T C 1.384 176.313 174.700 0.382 0.000 1.036 100 T CA 1.682 64.067 62.100 0.475 0.000 1.148 100 T CB -0.519 68.567 68.868 0.363 0.000 0.863 100 T HN 0.424 nan 8.240 nan 0.000 0.436 101 Y N 1.674 122.079 120.300 0.174 0.000 2.145 101 Y HA -0.054 4.496 4.550 -0.001 0.000 0.286 101 Y C 2.033 177.974 175.900 0.068 0.000 1.145 101 Y CA 1.086 59.238 58.100 0.087 0.000 1.148 101 Y CB -0.638 37.824 38.460 0.004 0.000 0.981 101 Y HN 0.112 nan 8.280 nan 0.000 0.507 102 L N -0.114 121.057 121.223 -0.086 0.000 2.079 102 L HA -0.238 4.101 4.340 -0.001 0.000 0.210 102 L C 2.784 179.605 176.870 -0.081 0.000 1.081 102 L CA 1.214 55.950 54.840 -0.173 0.000 0.752 102 L CB -0.931 41.150 42.059 0.037 0.000 0.896 102 L HN 0.400 nan 8.230 nan 0.000 0.433 103 A N -0.147 122.717 122.820 0.073 0.000 1.902 103 A HA -0.168 4.152 4.320 -0.001 0.000 0.217 103 A C 2.523 180.250 177.584 0.238 0.000 1.181 103 A CA 1.694 53.812 52.037 0.135 0.000 0.623 103 A CB -0.701 18.418 19.000 0.198 0.000 0.818 103 A HN 0.405 nan 8.150 nan 0.000 0.443 104 A N -0.605 122.419 122.820 0.340 0.000 1.902 104 A HA -0.045 4.275 4.320 -0.001 0.000 0.217 104 A C 2.124 179.798 177.584 0.149 0.000 1.181 104 A CA 1.748 54.004 52.037 0.364 0.000 0.623 104 A CB -0.619 18.505 19.000 0.206 0.000 0.818 104 A HN 0.655 nan 8.150 nan 0.000 0.443 105 L N -0.249 120.896 121.223 -0.130 0.000 2.141 105 L HA -0.093 4.247 4.340 -0.001 0.000 0.209 105 L C 2.195 179.004 176.870 -0.101 0.000 1.094 105 L CA 2.532 57.250 54.840 -0.204 0.000 0.763 105 L CB -0.530 41.229 42.059 -0.500 0.000 0.908 105 L HN 0.505 nan 8.230 nan 0.000 0.437 106 E N -1.036 119.117 120.200 -0.078 0.000 2.051 106 E HA -0.184 4.166 4.350 -0.001 0.000 0.192 106 E C 2.038 178.591 176.600 -0.078 0.000 0.991 106 E CA 2.000 58.363 56.400 -0.062 0.000 0.799 106 E CB -0.339 29.333 29.700 -0.047 0.000 0.748 106 E HN 0.454 nan 8.360 nan 0.000 0.449 107 T N 0.727 115.228 114.554 -0.088 0.000 2.746 107 T HA -0.136 4.214 4.350 -0.001 0.000 0.267 107 T C 1.719 176.309 174.700 -0.184 0.000 1.039 107 T CA 1.168 63.142 62.100 -0.210 0.000 1.142 107 T CB -0.364 68.244 68.868 -0.432 0.000 0.866 107 T HN 0.110 nan 8.240 nan 0.000 0.444 108 L N 1.232 122.431 121.223 -0.039 0.000 2.042 108 L HA -0.098 4.241 4.340 -0.001 0.000 0.210 108 L C 2.042 178.901 176.870 -0.019 0.000 1.076 108 L CA 1.865 56.737 54.840 0.055 0.000 0.749 108 L CB -0.352 41.777 42.059 0.117 0.000 0.893 108 L HN 0.102 nan 8.230 nan 0.000 0.432 109 D N -1.825 118.550 120.400 -0.042 0.000 2.271 109 D HA -0.127 4.513 4.640 -0.001 0.000 0.206 109 D C 1.848 178.112 176.300 -0.059 0.000 0.967 109 D CA 0.604 54.577 54.000 -0.044 0.000 0.867 109 D CB 0.053 40.832 40.800 -0.034 0.000 0.960 109 D HN 0.417 nan 8.370 nan 0.000 0.509 110 N N -0.594 118.059 118.700 -0.078 0.000 2.436 110 N HA -0.019 4.721 4.740 -0.001 0.000 0.178 110 N C 1.379 176.808 175.510 -0.136 0.000 1.026 110 N CA 1.674 54.669 53.050 -0.092 0.000 0.880 110 N CB 0.835 39.267 38.487 -0.092 0.000 1.061 110 N HN 0.249 nan 8.380 nan 0.000 0.434 111 G N 1.392 110.096 108.800 -0.159 0.000 2.253 111 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.209 111 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.209 111 G C -0.069 174.715 174.900 -0.193 0.000 0.997 111 G CA 0.328 45.315 45.100 -0.188 0.000 0.640 111 G HN 0.673 nan 8.290 nan 0.000 0.496 112 K N 1.126 121.407 120.400 -0.198 0.000 2.380 112 K HA 0.468 4.788 4.320 -0.001 0.000 0.267 112 K C -2.689 173.811 176.600 -0.166 0.000 0.990 112 K CA -1.203 54.967 56.287 -0.194 0.000 0.946 112 K CB 0.452 32.804 32.500 -0.245 0.000 0.937 112 K HN 0.081 nan 8.250 nan 0.000 0.491 113 P HA -0.108 nan 4.420 nan 0.000 0.265 113 P C -0.312 176.957 177.300 -0.053 0.000 1.193 113 P CA -0.049 63.013 63.100 -0.063 0.000 0.765 113 P CB 0.145 31.848 31.700 0.005 0.000 0.823 114 Y N 4.668 124.854 120.300 -0.190 0.000 2.151 114 Y HA -0.262 4.287 4.550 -0.001 0.000 0.284 114 Y C 1.804 177.728 175.900 0.040 0.000 1.166 114 Y CA 1.792 59.825 58.100 -0.110 0.000 1.163 114 Y CB -0.913 37.506 38.460 -0.068 0.000 0.974 114 Y HN 0.080 nan 8.280 nan 0.000 0.511 115 V N 0.471 120.338 119.914 -0.078 0.000 2.332 115 V HA -0.336 3.784 4.120 -0.001 0.000 0.248 115 V C 2.367 178.435 176.094 -0.043 0.000 1.055 115 V CA 1.847 64.087 62.300 -0.100 0.000 1.038 115 V CB -0.672 31.175 31.823 0.040 0.000 0.651 115 V HN 0.445 nan 8.190 nan 0.000 0.450 116 I N -0.247 120.326 120.570 0.006 0.000 2.286 116 I HA -0.131 4.039 4.170 -0.001 0.000 0.245 116 I C 2.586 178.722 176.117 0.032 0.000 1.104 116 I CA 1.379 62.723 61.300 0.074 0.000 1.397 116 I CB -1.454 36.613 38.000 0.112 0.000 1.072 116 I HN 0.261 nan 8.210 nan 0.000 0.417 117 S N 0.128 115.801 115.700 -0.045 0.000 2.370 117 S HA -0.230 4.240 4.470 -0.001 0.000 0.226 117 S C 2.014 176.576 174.600 -0.064 0.000 1.033 117 S CA 1.406 59.575 58.200 -0.052 0.000 1.011 117 S CB -0.426 62.736 63.200 -0.063 0.000 0.852 117 S HN 0.455 nan 8.310 nan 0.000 0.457 118 Y N 1.652 121.791 120.300 -0.269 0.000 2.130 118 Y HA 0.053 4.603 4.550 -0.001 0.000 0.287 118 Y C 1.941 177.782 175.900 -0.099 0.000 1.124 118 Y CA 1.361 59.320 58.100 -0.236 0.000 1.118 118 Y CB -0.302 37.885 38.460 -0.455 0.000 0.994 118 Y HN 0.103 nan 8.280 nan 0.000 0.497 119 L N -1.162 120.118 121.223 0.095 0.000 2.217 119 L HA -0.123 4.217 4.340 -0.001 0.000 0.211 119 L C 1.637 178.529 176.870 0.037 0.000 1.107 119 L CA 0.614 55.500 54.840 0.077 0.000 0.783 119 L CB -0.276 41.862 42.059 0.133 0.000 0.919 119 L HN 0.203 nan 8.230 nan 0.000 0.442 120 V N -1.402 118.547 119.914 0.060 0.000 2.939 120 V HA -0.033 4.087 4.120 -0.001 0.000 0.228 120 V C 1.612 177.749 176.094 0.072 0.000 1.162 120 V CA 0.706 63.067 62.300 0.102 0.000 1.222 120 V CB -0.229 31.733 31.823 0.231 0.000 1.053 120 V HN 0.143 nan 8.190 nan 0.000 0.504 121 D N 0.871 121.321 120.400 0.084 0.000 2.103 121 D HA -0.213 4.426 4.640 -0.001 0.000 0.190 121 D C 1.947 178.245 176.300 -0.004 0.000 0.997 121 D CA 1.692 55.725 54.000 0.055 0.000 0.833 121 D CB -0.271 40.566 40.800 0.061 0.000 0.961 121 D HN 0.201 nan 8.370 nan 0.000 0.447 122 L N 0.133 121.328 121.223 -0.048 0.000 2.141 122 L HA -0.111 4.228 4.340 -0.001 0.000 0.209 122 L C 1.824 178.653 176.870 -0.068 0.000 1.094 122 L CA 1.235 56.030 54.840 -0.074 0.000 0.763 122 L CB -0.290 41.682 42.059 -0.145 0.000 0.908 122 L HN 0.011 nan 8.230 nan 0.000 0.437 123 D N -0.567 119.787 120.400 -0.077 0.000 2.097 123 D HA -0.219 4.421 4.640 -0.001 0.000 0.197 123 D C 2.252 178.561 176.300 0.014 0.000 0.984 123 D CA 1.483 55.458 54.000 -0.041 0.000 0.826 123 D CB 0.041 40.823 40.800 -0.030 0.000 0.973 123 D HN 0.199 nan 8.370 nan 0.000 0.460 124 M N -0.588 119.029 119.600 0.029 0.000 2.159 124 M HA -0.114 4.365 4.480 -0.001 0.000 0.263 124 M C 2.190 178.548 176.300 0.096 0.000 1.063 124 M CA 0.641 55.981 55.300 0.067 0.000 1.110 124 M CB 0.033 32.662 32.600 0.049 0.000 1.374 124 M HN -0.017 nan 8.290 nan 0.000 0.411 125 V N 0.815 120.764 119.914 0.059 0.000 2.295 125 V HA -0.265 3.855 4.120 -0.001 0.000 0.246 125 V C 2.274 178.429 176.094 0.102 0.000 1.049 125 V CA 1.702 64.049 62.300 0.078 0.000 1.024 125 V CB -0.597 31.249 31.823 0.039 0.000 0.648 125 V HN 0.456 nan 8.190 nan 0.000 0.447 126 L N -0.580 120.685 121.223 0.070 0.000 2.046 126 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 126 L C 2.573 179.503 176.870 0.100 0.000 1.077 126 L CA 1.781 56.666 54.840 0.075 0.000 0.747 126 L CB -0.617 41.467 42.059 0.041 0.000 0.896 126 L HN 0.280 nan 8.230 nan 0.000 0.432 127 K N -1.001 119.457 120.400 0.096 0.000 2.148 127 K HA -0.173 4.146 4.320 -0.001 0.000 0.204 127 K C 2.276 178.968 176.600 0.154 0.000 1.050 127 K CA 1.343 57.693 56.287 0.106 0.000 0.942 127 K CB -0.327 32.218 32.500 0.075 0.000 0.724 127 K HN 0.394 nan 8.250 nan 0.000 0.446 128 C N 1.005 120.419 119.300 0.190 0.000 2.476 128 C HA -0.008 4.452 4.460 -0.001 0.000 0.278 128 C C 2.394 177.592 174.990 0.347 0.000 1.274 128 C CA 0.446 59.630 59.018 0.275 0.000 1.713 128 C CB -0.848 27.109 27.740 0.361 0.000 2.039 128 C HN 0.384 nan 8.230 nan 0.000 0.484 129 L N 0.389 121.772 121.223 0.267 0.000 2.017 129 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 129 L C 2.996 180.003 176.870 0.229 0.000 1.073 129 L CA 1.712 56.701 54.840 0.249 0.000 0.745 129 L CB -0.728 41.439 42.059 0.179 0.000 0.894 129 L HN 0.317 nan 8.230 nan 0.000 0.432 130 R N -1.304 119.305 120.500 0.182 0.000 2.115 130 R HA -0.197 4.142 4.340 -0.001 0.000 0.230 130 R C 2.234 178.613 176.300 0.131 0.000 1.111 130 R CA 1.398 57.579 56.100 0.135 0.000 0.976 130 R CB -0.395 29.967 30.300 0.103 0.000 0.870 130 R HN 0.299 nan 8.270 nan 0.000 0.445 131 Y N 0.053 120.374 120.300 0.035 0.000 2.109 131 Y HA -0.244 4.305 4.550 -0.001 0.000 0.285 131 Y C 1.667 177.544 175.900 -0.039 0.000 1.131 131 Y CA 1.411 59.477 58.100 -0.058 0.000 1.121 131 Y CB -0.538 37.846 38.460 -0.127 0.000 0.987 131 Y HN -0.022 nan 8.280 nan 0.000 0.495 132 Y N -0.031 120.351 120.300 0.137 0.000 2.421 132 Y HA -0.150 4.400 4.550 -0.001 0.000 0.292 132 Y C 2.591 178.528 175.900 0.061 0.000 1.136 132 Y CA 0.701 58.861 58.100 0.101 0.000 1.255 132 Y CB -0.473 38.100 38.460 0.189 0.000 0.991 132 Y HN 0.311 nan 8.280 nan 0.000 0.552 133 A N 0.085 123.012 122.820 0.177 0.000 1.940 133 A HA -0.190 4.130 4.320 -0.001 0.000 0.219 133 A C 2.495 180.099 177.584 0.032 0.000 1.176 133 A CA 1.840 53.948 52.037 0.118 0.000 0.631 133 A CB -1.398 17.657 19.000 0.092 0.000 0.814 133 A HN 0.470 nan 8.150 nan 0.000 0.446 134 G N -2.587 106.160 108.800 -0.089 0.000 2.484 134 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.218 134 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.218 134 G C 1.321 176.077 174.900 -0.240 0.000 1.130 134 G CA 0.612 45.588 45.100 -0.207 0.000 0.784 134 G HN 0.681 nan 8.290 nan 0.000 0.543 135 W N 0.630 121.833 121.300 -0.162 0.000 2.584 135 W HA 0.256 4.915 4.660 -0.001 0.000 0.264 135 W C 2.766 179.271 176.519 -0.024 0.000 1.264 135 W CA 0.274 57.553 57.345 -0.110 0.000 1.306 135 W CB 0.265 29.672 29.460 -0.089 0.000 1.110 135 W HN 0.249 nan 8.180 nan 0.000 0.606 136 A N 1.261 124.221 122.820 0.233 0.000 1.954 136 A HA -0.321 3.999 4.320 -0.001 0.000 0.222 136 A C 1.260 178.920 177.584 0.126 0.000 1.199 136 A CA 2.575 54.706 52.037 0.157 0.000 0.657 136 A CB -0.936 18.126 19.000 0.103 0.000 0.823 136 A HN 0.389 nan 8.150 nan 0.000 0.463 137 D N -2.638 117.820 120.400 0.096 0.000 2.670 137 D HA 0.267 4.907 4.640 -0.001 0.000 0.255 137 D C 0.418 176.738 176.300 0.033 0.000 1.286 137 D CA -0.099 53.941 54.000 0.067 0.000 0.830 137 D CB 0.057 40.884 40.800 0.044 0.000 1.065 137 D HN 0.506 nan 8.370 nan 0.000 0.486 138 K N -0.738 119.700 120.400 0.064 0.000 2.517 138 K HA 0.046 4.365 4.320 -0.001 0.000 0.210 138 K C -0.372 176.144 176.600 -0.139 0.000 1.166 138 K CA -0.458 55.751 56.287 -0.131 0.000 1.030 138 K CB 0.802 33.273 32.500 -0.048 0.000 0.974 138 K HN -0.038 nan 8.250 nan 0.000 0.585 139 Y N 3.290 123.584 120.300 -0.010 0.000 2.667 139 Y HA 0.120 4.669 4.550 -0.001 0.000 0.340 139 Y C -0.375 175.521 175.900 -0.008 0.000 1.303 139 Y CA -1.093 57.006 58.100 -0.002 0.000 1.769 139 Y CB -1.213 37.253 38.460 0.009 0.000 1.804 139 Y HN 0.075 nan 8.280 nan 0.000 0.451 140 H N 0.435 119.493 119.070 -0.021 0.000 2.929 140 H HA 0.281 4.836 4.556 -0.001 0.000 0.358 140 H C 1.001 175.986 175.328 -0.572 0.000 1.111 140 H CA 0.547 56.485 56.048 -0.184 0.000 1.409 140 H CB 0.712 30.417 29.762 -0.094 0.000 1.373 140 H HN 0.686 nan 8.280 nan 0.000 0.610 141 G N 0.772 109.303 108.800 -0.448 0.000 2.531 141 G HA2 0.485 4.444 3.960 -0.001 0.000 0.281 141 G HA3 0.485 4.444 3.960 -0.001 0.000 0.281 141 G C -0.780 173.941 174.900 -0.298 0.000 1.382 141 G CA -0.881 43.756 45.100 -0.771 0.000 1.045 141 G HN 0.541 nan 8.290 nan 0.000 0.533 142 K N -0.732 119.575 120.400 -0.155 0.000 2.435 142 K HA 0.543 4.863 4.320 -0.001 0.000 0.251 142 K C -1.020 175.612 176.600 0.054 0.000 0.954 142 K CA -0.701 55.562 56.287 -0.040 0.000 0.820 142 K CB 2.200 34.685 32.500 -0.025 0.000 1.292 142 K HN 0.595 nan 8.250 nan 0.000 0.436 143 T N -0.703 113.899 114.554 0.079 0.000 2.772 143 T HA 0.564 4.913 4.350 -0.001 0.000 0.288 143 T C -0.053 174.725 174.700 0.129 0.000 0.994 143 T CA -0.732 61.473 62.100 0.175 0.000 0.951 143 T CB -0.117 68.890 68.868 0.231 0.000 0.933 143 T HN 0.369 nan 8.240 nan 0.000 0.447 144 I N 5.320 125.963 120.570 0.121 0.000 2.359 144 I HA 0.351 4.520 4.170 -0.001 0.000 0.294 144 I C -1.804 174.379 176.117 0.110 0.000 0.987 144 I CA -2.801 58.548 61.300 0.082 0.000 1.225 144 I CB 2.155 40.175 38.000 0.033 0.000 1.366 144 I HN 0.460 nan 8.210 nan 0.000 0.466 145 P HA 0.166 nan 4.420 nan 0.000 0.226 145 P C 0.017 177.365 177.300 0.081 0.000 1.783 145 P CA 0.063 63.217 63.100 0.090 0.000 0.980 145 P CB 0.125 31.862 31.700 0.063 0.000 1.967 146 I N 0.958 121.584 120.570 0.093 0.000 2.938 146 I HA 0.034 4.204 4.170 -0.001 0.000 0.285 146 I C 0.312 176.499 176.117 0.117 0.000 1.182 146 I CA -0.048 61.299 61.300 0.077 0.000 1.388 146 I CB 0.627 38.657 38.000 0.050 0.000 1.390 146 I HN 0.018 nan 8.210 nan 0.000 0.600 147 D N 4.469 124.928 120.400 0.097 0.000 2.382 147 D HA 0.430 5.070 4.640 -0.001 0.000 0.240 147 D C 0.349 176.798 176.300 0.248 0.000 1.146 147 D CA 1.164 55.238 54.000 0.124 0.000 0.897 147 D CB 0.784 41.635 40.800 0.084 0.000 1.197 147 D HN 0.944 nan 8.370 nan 0.000 0.432 148 G N 1.332 110.257 108.800 0.210 0.000 2.796 148 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.571 148 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.571 148 G C -0.728 174.225 174.900 0.088 0.000 1.370 148 G CA -0.714 44.524 45.100 0.231 0.000 0.856 148 G HN 0.526 nan 8.290 nan 0.000 0.538 149 D N 0.963 121.188 120.400 -0.290 0.000 2.608 149 D HA 0.464 5.103 4.640 -0.001 0.000 0.224 149 D C -0.089 175.784 176.300 -0.711 0.000 1.123 149 D CA 1.022 54.782 54.000 -0.400 0.000 1.030 149 D CB -0.461 40.121 40.800 -0.362 0.000 1.093 149 D HN 0.267 nan 8.370 nan 0.000 0.497 150 F N 0.440 120.434 119.950 0.074 0.000 2.626 150 F HA 0.378 4.904 4.527 -0.001 0.000 0.311 150 F C -0.413 175.502 175.800 0.192 0.000 1.088 150 F CA -1.449 56.613 58.000 0.104 0.000 0.949 150 F CB 1.602 40.636 39.000 0.057 0.000 1.322 150 F HN -0.130 nan 8.300 nan 0.000 0.461 151 F N 2.100 122.195 119.950 0.242 0.000 2.375 151 F HA 0.675 5.202 4.527 -0.001 0.000 0.361 151 F C -0.627 175.294 175.800 0.202 0.000 1.117 151 F CA -1.172 56.939 58.000 0.185 0.000 1.037 151 F CB 1.099 40.195 39.000 0.161 0.000 1.192 151 F HN 0.269 nan 8.300 nan 0.000 0.452 152 S N 6.856 122.572 115.700 0.027 0.000 2.502 152 S HA 0.800 5.269 4.470 -0.001 0.000 0.304 152 S C -1.401 173.083 174.600 -0.193 0.000 1.097 152 S CA -0.286 57.790 58.200 -0.205 0.000 1.045 152 S CB 0.636 63.784 63.200 -0.085 0.000 1.019 152 S HN 0.698 nan 8.310 nan 0.000 0.481 153 Y N 0.171 120.233 120.300 -0.396 0.000 2.655 153 Y HA 0.779 5.329 4.550 -0.001 0.000 0.336 153 Y C -0.587 175.209 175.900 -0.173 0.000 1.154 153 Y CA -1.081 56.861 58.100 -0.264 0.000 1.055 153 Y CB 0.834 39.097 38.460 -0.329 0.000 1.295 153 Y HN 0.529 nan 8.280 nan 0.000 0.465 154 T N -0.247 114.335 114.554 0.046 0.000 2.856 154 T HA 0.684 5.034 4.350 -0.001 0.000 0.283 154 T C -0.869 173.895 174.700 0.108 0.000 1.008 154 T CA -1.063 61.039 62.100 0.003 0.000 0.997 154 T CB 1.814 70.704 68.868 0.035 0.000 0.992 154 T HN 0.801 nan 8.240 nan 0.000 0.454 155 R N 1.199 121.765 120.500 0.110 0.000 2.338 155 R HA 0.303 4.642 4.340 -0.001 0.000 0.317 155 R C -0.414 176.022 176.300 0.227 0.000 0.968 155 R CA -0.656 55.532 56.100 0.148 0.000 0.849 155 R CB 0.977 31.358 30.300 0.135 0.000 1.128 155 R HN 0.743 nan 8.270 nan 0.000 0.448 156 H N 2.573 121.672 119.070 0.048 0.000 2.908 156 H HA 0.108 4.663 4.556 -0.001 0.000 0.269 156 H C -0.277 175.109 175.328 0.095 0.000 1.303 156 H CA -0.297 55.783 56.048 0.054 0.000 1.341 156 H CB 0.799 30.569 29.762 0.012 0.000 1.519 156 H HN 0.396 nan 8.280 nan 0.000 0.505 157 E N 3.878 124.191 120.200 0.190 0.000 2.280 157 E HA 0.221 4.570 4.350 -0.001 0.000 0.264 157 E C -2.409 174.303 176.600 0.187 0.000 1.064 157 E CA -2.227 54.273 56.400 0.167 0.000 0.900 157 E CB 0.949 30.735 29.700 0.143 0.000 1.123 157 E HN 0.377 nan 8.360 nan 0.000 0.418 158 P HA -0.066 nan 4.420 nan 0.000 0.271 158 P C 0.498 177.929 177.300 0.217 0.000 1.218 158 P CA -0.005 63.259 63.100 0.274 0.000 0.780 158 P CB 0.722 32.699 31.700 0.461 0.000 0.901 159 V N 1.972 121.954 119.914 0.112 0.000 2.759 159 V HA 0.078 4.198 4.120 -0.001 0.000 0.256 159 V C 1.018 177.052 176.094 -0.099 0.000 1.080 159 V CA 2.584 64.896 62.300 0.020 0.000 1.101 159 V CB -1.153 30.657 31.823 -0.021 0.000 0.698 159 V HN 0.964 nan 8.190 nan 0.000 0.477 160 G N -0.945 107.672 108.800 -0.305 0.000 2.317 160 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.196 160 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.196 160 G C -0.505 174.015 174.900 -0.633 0.000 1.255 160 G CA -0.258 44.312 45.100 -0.883 0.000 1.243 160 G HN 0.499 nan 8.290 nan 0.000 0.535 161 V N 1.042 120.691 119.914 -0.441 0.000 2.415 161 V HA 0.381 4.500 4.120 -0.001 0.000 0.267 161 V C 0.482 176.503 176.094 -0.121 0.000 1.042 161 V CA -0.047 62.114 62.300 -0.231 0.000 1.000 161 V CB 0.214 31.936 31.823 -0.170 0.000 1.015 161 V HN 0.824 nan 8.190 nan 0.000 0.478 162 C N 5.003 124.271 119.300 -0.052 0.000 2.264 162 C HA 0.655 5.115 4.460 -0.001 0.000 0.324 162 C C 1.056 176.065 174.990 0.032 0.000 1.267 162 C CA -0.989 58.048 59.018 0.032 0.000 1.618 162 C CB 0.219 28.067 27.740 0.179 0.000 2.278 162 C HN 0.996 nan 8.230 nan 0.000 0.499 163 G N 3.229 112.047 108.800 0.029 0.000 2.333 163 G HA2 0.492 4.451 3.960 -0.001 0.000 0.290 163 G HA3 0.492 4.451 3.960 -0.001 0.000 0.290 163 G C -0.662 174.287 174.900 0.082 0.000 1.150 163 G CA -0.135 44.988 45.100 0.037 0.000 0.895 163 G HN 0.818 nan 8.290 nan 0.000 0.444 164 Q N 1.976 121.825 119.800 0.081 0.000 2.327 164 Q HA 0.412 4.752 4.340 -0.001 0.000 0.270 164 Q C -0.693 175.364 176.000 0.094 0.000 1.022 164 Q CA -0.402 55.462 55.803 0.102 0.000 0.773 164 Q CB 2.567 31.357 28.738 0.087 0.000 1.251 164 Q HN 0.527 nan 8.270 nan 0.000 0.457 165 I N 4.953 125.601 120.570 0.130 0.000 2.355 165 I HA 0.453 4.623 4.170 -0.001 0.000 0.288 165 I C -0.038 176.075 176.117 -0.006 0.000 0.999 165 I CA -0.773 60.608 61.300 0.134 0.000 1.163 165 I CB 0.821 39.020 38.000 0.332 0.000 1.316 165 I HN 0.527 nan 8.210 nan 0.000 0.454 166 I N 5.296 125.846 120.570 -0.034 0.000 2.797 166 I HA 0.749 4.919 4.170 -0.001 0.000 0.307 166 I C -2.657 173.384 176.117 -0.126 0.000 1.033 166 I CA -2.288 58.942 61.300 -0.118 0.000 1.071 166 I CB 2.183 40.142 38.000 -0.068 0.000 1.255 166 I HN 0.228 nan 8.210 nan 0.000 0.445 167 P HA 0.150 nan 4.420 nan 0.000 0.293 167 P C -0.159 177.045 177.300 -0.160 0.000 1.304 167 P CA -0.171 62.762 63.100 -0.279 0.000 0.767 167 P CB 0.713 32.131 31.700 -0.469 0.000 1.247 168 W N 0.293 121.578 121.300 -0.025 0.000 3.107 168 W HA 0.052 4.712 4.660 -0.001 0.000 0.293 168 W C 1.034 177.494 176.519 -0.099 0.000 1.239 168 W CA 0.189 57.507 57.345 -0.045 0.000 1.653 168 W CB -1.506 27.936 29.460 -0.030 0.000 1.068 168 W HN 0.219 nan 8.180 nan 0.000 0.615 169 N N 2.003 120.508 118.700 -0.324 0.000 2.289 169 N HA -0.196 4.543 4.740 -0.001 0.000 0.184 169 N C -0.145 174.973 175.510 -0.654 0.000 1.016 169 N CA 0.914 53.741 53.050 -0.371 0.000 0.872 169 N CB -1.079 37.067 38.487 -0.567 0.000 0.973 169 N HN 0.132 nan 8.380 nan 0.000 0.433 170 F N -0.398 119.418 119.950 -0.223 0.000 2.794 170 F HA 0.412 4.939 4.527 -0.001 0.000 0.353 170 F C -1.823 173.843 175.800 -0.223 0.000 1.371 170 F CA -1.995 55.848 58.000 -0.261 0.000 1.173 170 F CB 2.117 40.867 39.000 -0.416 0.000 1.693 170 F HN -0.183 nan 8.300 nan 0.000 0.606 171 P HA -0.233 nan 4.420 nan 0.000 0.211 171 P C 1.960 179.244 177.300 -0.026 0.000 1.181 171 P CA 1.769 64.863 63.100 -0.010 0.000 0.929 171 P CB 0.380 32.085 31.700 0.008 0.000 0.789 172 L N -1.963 119.249 121.223 -0.019 0.000 2.012 172 L HA -0.189 4.150 4.340 -0.001 0.000 0.210 172 L C 2.493 179.324 176.870 -0.065 0.000 1.073 172 L CA 1.109 55.937 54.840 -0.019 0.000 0.748 172 L CB -1.056 41.003 42.059 -0.000 0.000 0.891 172 L HN -0.007 nan 8.230 nan 0.000 0.431 173 L N -0.793 120.355 121.223 -0.124 0.000 2.046 173 L HA -0.221 4.118 4.340 -0.001 0.000 0.208 173 L C 2.463 179.039 176.870 -0.489 0.000 1.077 173 L CA 1.827 56.479 54.840 -0.314 0.000 0.747 173 L CB -0.415 41.360 42.059 -0.473 0.000 0.896 173 L HN 0.192 nan 8.230 nan 0.000 0.432 174 M N -1.052 118.316 119.600 -0.385 0.000 2.229 174 M HA -0.203 4.277 4.480 -0.001 0.000 0.264 174 M C 2.220 178.460 176.300 -0.099 0.000 1.063 174 M CA 1.521 56.637 55.300 -0.306 0.000 1.114 174 M CB -1.086 31.389 32.600 -0.209 0.000 1.387 174 M HN 0.534 nan 8.290 nan 0.000 0.420 175 Q N 0.002 119.760 119.800 -0.070 0.000 2.123 175 Q HA -0.081 4.258 4.340 -0.001 0.000 0.199 175 Q C 1.980 177.988 176.000 0.013 0.000 0.966 175 Q CA 1.611 57.402 55.803 -0.021 0.000 0.845 175 Q CB 0.051 28.776 28.738 -0.021 0.000 0.907 175 Q HN 0.443 nan 8.270 nan 0.000 0.439 176 A N 0.126 122.966 122.820 0.034 0.000 1.898 176 A HA -0.157 4.162 4.320 -0.001 0.000 0.216 176 A C 1.503 179.244 177.584 0.261 0.000 1.181 176 A CA 1.085 53.198 52.037 0.127 0.000 0.620 176 A CB -1.077 18.013 19.000 0.151 0.000 0.819 176 A HN 0.623 nan 8.150 nan 0.000 0.442 177 W N 0.502 121.801 121.300 -0.001 0.000 2.392 177 W HA -0.038 4.622 4.660 -0.001 0.000 0.279 177 W C 2.052 178.548 176.519 -0.039 0.000 1.225 177 W CA 1.227 58.582 57.345 0.017 0.000 1.233 177 W CB -0.181 29.281 29.460 0.002 0.000 1.122 177 W HN 0.258 nan 8.180 nan 0.000 0.561 178 K N -0.480 120.014 120.400 0.158 0.000 2.141 178 K HA 0.107 4.427 4.320 -0.001 0.000 0.202 178 K C 2.050 178.560 176.600 -0.150 0.000 1.045 178 K CA 0.596 56.894 56.287 0.018 0.000 0.971 178 K CB -0.840 31.690 32.500 0.051 0.000 0.795 178 K HN 0.200 nan 8.250 nan 0.000 0.459 179 L N 0.415 121.580 121.223 -0.097 0.000 2.056 179 L HA -0.074 4.266 4.340 -0.001 0.000 0.207 179 L C 2.503 179.276 176.870 -0.162 0.000 1.078 179 L CA 1.358 56.111 54.840 -0.145 0.000 0.749 179 L CB -1.043 40.944 42.059 -0.120 0.000 0.901 179 L HN 0.263 nan 8.230 nan 0.000 0.433 180 G N 1.239 109.981 108.800 -0.097 0.000 2.553 180 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.218 180 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.218 180 G C -0.507 174.157 174.900 -0.392 0.000 1.195 180 G CA 1.114 46.173 45.100 -0.067 0.000 0.779 180 G HN 0.320 nan 8.290 nan 0.000 0.577 181 P HA 0.007 nan 4.420 nan 0.000 0.216 181 P C 2.109 179.013 177.300 -0.660 0.000 1.153 181 P CA 1.966 64.451 63.100 -1.025 0.000 0.844 181 P CB -0.171 30.887 31.700 -1.069 0.000 0.787 182 A N 0.710 123.024 122.820 -0.843 0.000 1.865 182 A HA -0.153 4.167 4.320 -0.001 0.000 0.217 182 A C 2.475 179.990 177.584 -0.116 0.000 1.191 182 A CA 1.718 53.373 52.037 -0.637 0.000 0.623 182 A CB -1.680 16.964 19.000 -0.593 0.000 0.826 182 A HN 0.123 nan 8.150 nan 0.000 0.444 183 L N -0.922 120.288 121.223 -0.022 0.000 2.093 183 L HA -0.128 4.212 4.340 -0.001 0.000 0.208 183 L C 3.038 180.093 176.870 0.309 0.000 1.085 183 L CA 0.854 55.873 54.840 0.297 0.000 0.755 183 L CB -0.616 41.608 42.059 0.274 0.000 0.904 183 L HN 0.434 nan 8.230 nan 0.000 0.435 184 A N 0.313 123.213 122.820 0.133 0.000 1.978 184 A HA -0.187 4.132 4.320 -0.001 0.000 0.220 184 A C 2.205 179.852 177.584 0.105 0.000 1.170 184 A CA 2.148 54.271 52.037 0.143 0.000 0.636 184 A CB -0.838 18.257 19.000 0.158 0.000 0.810 184 A HN 0.508 nan 8.150 nan 0.000 0.448 185 T N -4.231 110.364 114.554 0.069 0.000 3.188 185 T HA 0.429 4.778 4.350 -0.001 0.000 0.250 185 T C 1.173 175.944 174.700 0.119 0.000 1.077 185 T CA 0.883 63.037 62.100 0.090 0.000 0.967 185 T CB -0.054 68.859 68.868 0.076 0.000 1.006 185 T HN 1.676 nan 8.240 nan 0.000 0.552 186 G N 1.585 110.456 108.800 0.118 0.000 2.147 186 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.244 186 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.244 186 G C -0.011 175.172 174.900 0.472 0.000 1.005 186 G CA -0.225 44.901 45.100 0.043 0.000 0.713 186 G HN 0.594 nan 8.290 nan 0.000 0.515 187 N N -0.743 118.261 118.700 0.507 0.000 2.413 187 N HA 0.609 5.348 4.740 -0.001 0.000 0.266 187 N C 0.464 176.264 175.510 0.484 0.000 1.238 187 N CA 0.476 53.778 53.050 0.420 0.000 0.972 187 N CB 1.771 40.383 38.487 0.208 0.000 1.210 187 N HN 0.670 nan 8.380 nan 0.000 0.547 188 V N -2.007 118.016 119.914 0.182 0.000 2.769 188 V HA 0.724 4.844 4.120 -0.001 0.000 0.312 188 V C -0.194 175.884 176.094 -0.028 0.000 1.061 188 V CA -0.757 61.573 62.300 0.051 0.000 0.931 188 V CB 1.650 33.514 31.823 0.068 0.000 1.010 188 V HN 0.241 nan 8.190 nan 0.000 0.433 189 V N 2.943 122.816 119.914 -0.068 0.000 2.735 189 V HA 0.622 4.742 4.120 -0.001 0.000 0.310 189 V C -0.545 175.516 176.094 -0.054 0.000 1.061 189 V CA -0.541 61.726 62.300 -0.055 0.000 0.913 189 V CB 2.199 33.979 31.823 -0.072 0.000 1.005 189 V HN 0.793 nan 8.190 nan 0.000 0.428 190 V N 5.207 125.099 119.914 -0.036 0.000 2.357 190 V HA 0.433 4.552 4.120 -0.001 0.000 0.281 190 V C -0.204 175.891 176.094 0.001 0.000 1.015 190 V CA -0.203 62.079 62.300 -0.030 0.000 0.827 190 V CB 1.346 33.135 31.823 -0.056 0.000 1.018 190 V HN 0.895 nan 8.190 nan 0.000 0.432 191 M N 4.677 124.283 119.600 0.011 0.000 2.300 191 M HA 0.565 5.044 4.480 -0.001 0.000 0.348 191 M C -0.475 175.853 176.300 0.046 0.000 1.151 191 M CA -0.481 54.836 55.300 0.027 0.000 1.046 191 M CB 1.205 33.811 32.600 0.011 0.000 1.647 191 M HN 0.343 nan 8.290 nan 0.000 0.451 192 K N 5.537 125.971 120.400 0.057 0.000 2.473 192 K HA 0.320 4.639 4.320 -0.001 0.000 0.246 192 K C -1.157 175.480 176.600 0.062 0.000 1.011 192 K CA -0.370 55.956 56.287 0.065 0.000 0.984 192 K CB 0.551 33.097 32.500 0.076 0.000 1.250 192 K HN 0.692 nan 8.250 nan 0.000 0.454 193 V N 0.900 120.852 119.914 0.063 0.000 3.003 193 V HA 0.554 4.674 4.120 -0.001 0.000 0.305 193 V C 0.582 176.716 176.094 0.065 0.000 1.078 193 V CA -0.951 61.386 62.300 0.061 0.000 1.083 193 V CB 0.819 32.686 31.823 0.073 0.000 1.039 193 V HN 0.666 nan 8.190 nan 0.000 0.481 194 A N 2.929 125.799 122.820 0.083 0.000 2.511 194 A HA 0.259 4.579 4.320 -0.001 0.000 0.242 194 A C 1.359 178.993 177.584 0.083 0.000 1.069 194 A CA 0.323 52.431 52.037 0.118 0.000 0.763 194 A CB 0.028 19.172 19.000 0.240 0.000 1.001 194 A HN 1.149 nan 8.150 nan 0.000 0.498 195 E N 2.255 122.439 120.200 -0.027 0.000 2.204 195 E HA -0.275 4.075 4.350 -0.001 0.000 0.195 195 E C 1.067 177.715 176.600 0.081 0.000 0.990 195 E CA 1.758 58.059 56.400 -0.165 0.000 0.821 195 E CB -0.280 29.018 29.700 -0.671 0.000 0.750 195 E HN 0.827 nan 8.360 nan 0.000 0.477 196 Q N 0.736 120.572 119.800 0.060 0.000 2.230 196 Q HA -0.001 4.338 4.340 -0.001 0.000 0.202 196 Q C 0.655 176.682 176.000 0.045 0.000 0.963 196 Q CA 1.705 57.511 55.803 0.006 0.000 0.866 196 Q CB 0.357 28.978 28.738 -0.194 0.000 0.931 196 Q HN 0.472 nan 8.270 nan 0.000 0.452 197 T N -3.606 111.011 114.554 0.104 0.000 3.583 197 T HA 0.289 4.639 4.350 -0.001 0.000 0.266 197 T C -2.487 172.266 174.700 0.088 0.000 1.296 197 T CA -1.302 60.848 62.100 0.083 0.000 1.668 197 T CB 1.217 70.144 68.868 0.098 0.000 0.832 197 T HN -0.057 nan 8.240 nan 0.000 0.649 198 P HA 0.197 nan 4.420 nan 0.000 0.234 198 P C 1.690 179.032 177.300 0.070 0.000 1.175 198 P CA -0.112 63.048 63.100 0.100 0.000 0.801 198 P CB 0.387 32.175 31.700 0.146 0.000 0.891 199 L N 0.691 121.934 121.223 0.034 0.000 1.963 199 L HA -0.204 4.136 4.340 -0.001 0.000 0.220 199 L C 2.836 179.749 176.870 0.071 0.000 1.076 199 L CA 3.031 57.886 54.840 0.026 0.000 0.772 199 L CB -2.306 39.741 42.059 -0.021 0.000 0.892 199 L HN 0.114 nan 8.230 nan 0.000 0.435 200 T N -2.024 112.558 114.554 0.047 0.000 2.720 200 T HA -0.189 4.161 4.350 -0.001 0.000 0.268 200 T C 1.926 176.703 174.700 0.128 0.000 1.037 200 T CA 1.141 63.286 62.100 0.075 0.000 1.144 200 T CB -0.541 68.339 68.868 0.020 0.000 0.864 200 T HN 0.369 nan 8.240 nan 0.000 0.444 201 A N 1.687 124.561 122.820 0.090 0.000 1.933 201 A HA 0.166 4.485 4.320 -0.001 0.000 0.218 201 A C 2.483 180.121 177.584 0.091 0.000 1.175 201 A CA 1.302 53.382 52.037 0.071 0.000 0.628 201 A CB -0.886 18.145 19.000 0.052 0.000 0.814 201 A HN 0.550 nan 8.150 nan 0.000 0.444 202 L N -2.226 119.088 121.223 0.152 0.000 2.046 202 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 202 L C 2.601 179.642 176.870 0.285 0.000 1.077 202 L CA 1.834 56.828 54.840 0.257 0.000 0.747 202 L CB -0.669 41.527 42.059 0.228 0.000 0.896 202 L HN 0.587 nan 8.230 nan 0.000 0.432 203 Y N 0.257 120.643 120.300 0.143 0.000 2.224 203 Y HA -0.204 4.345 4.550 -0.001 0.000 0.289 203 Y C 2.390 178.366 175.900 0.127 0.000 1.146 203 Y CA 1.342 59.550 58.100 0.181 0.000 1.182 203 Y CB -0.187 38.427 38.460 0.255 0.000 0.983 203 Y HN -0.170 nan 8.280 nan 0.000 0.524 204 V N 0.355 120.329 119.914 0.100 0.000 2.594 204 V HA -0.324 3.795 4.120 -0.001 0.000 0.253 204 V C 2.566 178.534 176.094 -0.209 0.000 1.069 204 V CA 1.565 63.849 62.300 -0.027 0.000 1.082 204 V CB -1.408 30.427 31.823 0.020 0.000 0.680 204 V HN 0.582 nan 8.190 nan 0.000 0.469 205 A N 0.051 122.682 122.820 -0.315 0.000 1.969 205 A HA -0.217 4.102 4.320 -0.001 0.000 0.218 205 A C 2.064 179.229 177.584 -0.697 0.000 1.169 205 A CA 1.951 53.503 52.037 -0.808 0.000 0.635 205 A CB -0.620 17.506 19.000 -1.456 0.000 0.810 205 A HN 0.558 nan 8.150 nan 0.000 0.445 206 N N 0.076 118.594 118.700 -0.303 0.000 2.188 206 N HA -0.042 4.698 4.740 -0.001 0.000 0.184 206 N C 1.536 176.948 175.510 -0.163 0.000 1.018 206 N CA 1.172 54.150 53.050 -0.120 0.000 0.858 206 N CB -0.353 38.040 38.487 -0.157 0.000 0.989 206 N HN 0.511 nan 8.380 nan 0.000 0.426 207 L N -0.100 120.980 121.223 -0.238 0.000 2.217 207 L HA -0.014 4.325 4.340 -0.001 0.000 0.211 207 L C 1.921 178.783 176.870 -0.013 0.000 1.107 207 L CA 0.600 55.375 54.840 -0.108 0.000 0.783 207 L CB -0.275 41.741 42.059 -0.071 0.000 0.919 207 L HN 0.163 nan 8.230 nan 0.000 0.442 208 I N 0.137 120.663 120.570 -0.073 0.000 2.315 208 I HA -0.281 3.889 4.170 -0.001 0.000 0.248 208 I C 2.727 178.944 176.117 0.166 0.000 1.117 208 I CA 1.252 62.545 61.300 -0.011 0.000 1.404 208 I CB -0.215 37.626 38.000 -0.266 0.000 1.071 208 I HN 0.260 nan 8.210 nan 0.000 0.419 209 K N 1.233 121.697 120.400 0.108 0.000 2.057 209 K HA -0.240 4.080 4.320 -0.001 0.000 0.206 209 K C 2.078 178.752 176.600 0.123 0.000 1.050 209 K CA 1.579 57.964 56.287 0.164 0.000 0.935 209 K CB -0.064 32.550 32.500 0.191 0.000 0.715 209 K HN 0.233 nan 8.250 nan 0.000 0.439 210 E N -0.152 120.098 120.200 0.083 0.000 2.153 210 E HA -0.156 4.193 4.350 -0.001 0.000 0.194 210 E C 1.601 178.248 176.600 0.078 0.000 0.988 210 E CA 0.868 57.305 56.400 0.063 0.000 0.811 210 E CB -0.056 29.662 29.700 0.030 0.000 0.746 210 E HN 0.451 nan 8.360 nan 0.000 0.466 211 A N 0.011 122.906 122.820 0.125 0.000 2.067 211 A HA 0.071 4.391 4.320 -0.001 0.000 0.219 211 A C 1.831 179.433 177.584 0.030 0.000 1.158 211 A CA 1.334 53.441 52.037 0.117 0.000 0.661 211 A CB -0.366 18.788 19.000 0.257 0.000 0.801 211 A HN 0.495 nan 8.150 nan 0.000 0.452 212 G N -2.813 106.030 108.800 0.072 0.000 2.154 212 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.186 212 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.186 212 G C -0.059 174.836 174.900 -0.008 0.000 1.000 212 G CA -0.231 44.880 45.100 0.018 0.000 0.664 212 G HN 0.265 nan 8.290 nan 0.000 0.513 213 F N 1.687 121.648 119.950 0.017 0.000 2.495 213 F HA 0.423 4.949 4.527 -0.001 0.000 0.365 213 F C -1.184 174.583 175.800 -0.055 0.000 1.090 213 F CA -1.516 56.457 58.000 -0.045 0.000 1.235 213 F CB 0.653 39.571 39.000 -0.137 0.000 1.119 213 F HN -0.100 nan 8.300 nan 0.000 0.562 214 P HA 0.040 nan 4.420 nan 0.000 0.267 214 P C -2.534 174.760 177.300 -0.010 0.000 1.200 214 P CA -0.807 62.330 63.100 0.062 0.000 0.772 214 P CB 0.063 31.834 31.700 0.117 0.000 0.855 215 P HA 0.053 nan 4.420 nan 0.000 0.265 215 P C 0.985 178.229 177.300 -0.094 0.000 1.193 215 P CA 1.267 64.318 63.100 -0.082 0.000 0.765 215 P CB 0.136 31.794 31.700 -0.070 0.000 0.823 216 G N 1.355 110.070 108.800 -0.143 0.000 2.241 216 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.244 216 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.244 216 G C 1.027 175.843 174.900 -0.140 0.000 0.998 216 G CA 0.258 45.285 45.100 -0.123 0.000 0.621 216 G HN 0.395 nan 8.290 nan 0.000 0.519 217 V N -0.101 119.681 119.914 -0.220 0.000 2.358 217 V HA 0.095 4.215 4.120 -0.001 0.000 0.246 217 V C 1.402 177.317 176.094 -0.297 0.000 1.047 217 V CA 1.987 64.043 62.300 -0.406 0.000 1.035 217 V CB 0.075 31.421 31.823 -0.795 0.000 0.658 217 V HN 0.420 nan 8.190 nan 0.000 0.452 218 V N 1.540 121.329 119.914 -0.208 0.000 2.525 218 V HA 0.481 4.601 4.120 -0.001 0.000 0.299 218 V C -0.911 175.197 176.094 0.023 0.000 1.034 218 V CA -0.773 61.446 62.300 -0.134 0.000 0.863 218 V CB 1.845 33.535 31.823 -0.222 0.000 0.999 218 V HN 0.434 nan 8.190 nan 0.000 0.423 219 N N 5.383 124.092 118.700 0.014 0.000 2.296 219 N HA 0.637 5.377 4.740 -0.001 0.000 0.294 219 N C -1.241 174.319 175.510 0.083 0.000 1.033 219 N CA -0.406 52.684 53.050 0.066 0.000 0.839 219 N CB 3.065 41.523 38.487 -0.050 0.000 1.395 219 N HN 0.490 nan 8.380 nan 0.000 0.479 220 I N 1.474 122.143 120.570 0.164 0.000 2.406 220 I HA 0.328 4.498 4.170 -0.001 0.000 0.290 220 I C -0.379 175.824 176.117 0.143 0.000 0.999 220 I CA -0.989 60.382 61.300 0.119 0.000 1.124 220 I CB 2.041 40.098 38.000 0.095 0.000 1.289 220 I HN 0.057 nan 8.210 nan 0.000 0.441 221 V N 8.031 128.009 119.914 0.107 0.000 2.284 221 V HA 0.298 4.417 4.120 -0.001 0.000 0.274 221 V C -2.107 174.061 176.094 0.123 0.000 1.023 221 V CA -1.573 60.795 62.300 0.113 0.000 0.808 221 V CB 1.066 32.932 31.823 0.072 0.000 1.035 221 V HN 0.569 nan 8.190 nan 0.000 0.445 222 P HA 0.571 nan 4.420 nan 0.000 0.275 222 P C 0.170 177.566 177.300 0.160 0.000 1.228 222 P CA 0.480 63.697 63.100 0.195 0.000 0.786 222 P CB 2.061 33.924 31.700 0.271 0.000 0.927 223 G N 0.895 109.657 108.800 -0.063 0.000 2.343 223 G HA2 0.288 4.247 3.960 -0.001 0.000 0.289 223 G HA3 0.288 4.247 3.960 -0.001 0.000 0.289 223 G C -1.494 173.041 174.900 -0.608 0.000 1.295 223 G CA -0.876 43.991 45.100 -0.389 0.000 0.869 223 G HN 0.249 nan 8.290 nan 0.000 0.522 224 F N 0.336 120.138 119.950 -0.248 0.000 2.368 224 F HA 0.522 5.049 4.527 -0.001 0.000 0.308 224 F C 1.913 177.679 175.800 -0.058 0.000 1.198 224 F CA 0.832 58.726 58.000 -0.176 0.000 1.130 224 F CB 1.090 39.987 39.000 -0.173 0.000 1.300 224 F HN 0.637 nan 8.300 nan 0.000 0.537 225 G N 0.141 109.058 108.800 0.194 0.000 2.424 225 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.214 225 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.214 225 G C -1.027 173.931 174.900 0.096 0.000 1.202 225 G CA 0.427 45.608 45.100 0.134 0.000 0.793 225 G HN 0.462 nan 8.290 nan 0.000 0.534 226 P HA -0.035 nan 4.420 nan 0.000 0.223 226 P C 1.824 179.150 177.300 0.043 0.000 1.144 226 P CA 1.975 65.098 63.100 0.038 0.000 0.783 226 P CB 0.014 31.721 31.700 0.012 0.000 0.771 227 T N -3.517 111.082 114.554 0.076 0.000 3.401 227 T HA 0.238 4.587 4.350 -0.001 0.000 0.225 227 T C 1.958 176.702 174.700 0.074 0.000 0.961 227 T CA 0.624 62.769 62.100 0.076 0.000 1.429 227 T CB -1.168 67.766 68.868 0.111 0.000 1.213 227 T HN -0.101 nan 8.240 nan 0.000 0.440 228 A N 1.697 124.567 122.820 0.083 0.000 1.898 228 A HA 0.281 4.601 4.320 -0.001 0.000 0.216 228 A C 2.629 180.256 177.584 0.071 0.000 1.181 228 A CA 1.826 53.906 52.037 0.072 0.000 0.620 228 A CB -1.716 17.321 19.000 0.061 0.000 0.819 228 A HN 0.678 nan 8.150 nan 0.000 0.442 229 G N -0.378 108.468 108.800 0.076 0.000 2.433 229 G HA2 -0.019 3.941 3.960 -0.001 0.000 0.216 229 G HA3 -0.019 3.941 3.960 -0.001 0.000 0.216 229 G C 1.771 176.705 174.900 0.057 0.000 1.186 229 G CA 1.538 46.688 45.100 0.083 0.000 0.779 229 G HN 0.822 nan 8.290 nan 0.000 0.543 230 A N 1.057 123.902 122.820 0.041 0.000 1.972 230 A HA 0.268 4.587 4.320 -0.001 0.000 0.219 230 A C 2.789 180.393 177.584 0.033 0.000 1.169 230 A CA 2.192 54.240 52.037 0.019 0.000 0.635 230 A CB -0.692 18.313 19.000 0.010 0.000 0.810 230 A HN 0.810 nan 8.150 nan 0.000 0.446 231 A N -0.022 122.830 122.820 0.053 0.000 1.933 231 A HA -0.081 4.239 4.320 -0.001 0.000 0.218 231 A C 2.116 179.770 177.584 0.117 0.000 1.175 231 A CA 1.527 53.610 52.037 0.077 0.000 0.628 231 A CB -0.533 18.519 19.000 0.087 0.000 0.814 231 A HN 0.510 nan 8.150 nan 0.000 0.444 232 I N -0.490 120.135 120.570 0.092 0.000 2.202 232 I HA -0.230 3.940 4.170 -0.001 0.000 0.242 232 I C 2.978 179.144 176.117 0.082 0.000 1.091 232 I CA 1.020 62.371 61.300 0.085 0.000 1.368 232 I CB -0.396 37.639 38.000 0.058 0.000 1.058 232 I HN 0.350 nan 8.210 nan 0.000 0.410 233 A N -0.022 122.829 122.820 0.052 0.000 1.933 233 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 233 A C 2.320 179.919 177.584 0.024 0.000 1.175 233 A CA 2.060 54.111 52.037 0.023 0.000 0.628 233 A CB -0.498 18.490 19.000 -0.019 0.000 0.814 233 A HN 0.410 nan 8.150 nan 0.000 0.444 234 S N -1.006 114.713 115.700 0.031 0.000 2.575 234 S HA 0.069 4.539 4.470 -0.001 0.000 0.215 234 S C 0.621 175.232 174.600 0.019 0.000 0.966 234 S CA -0.530 57.677 58.200 0.011 0.000 0.911 234 S CB -0.255 62.939 63.200 -0.010 0.000 0.780 234 S HN 0.664 nan 8.310 nan 0.000 0.514 235 H N 2.751 121.816 119.070 -0.009 0.000 2.928 235 H HA 0.061 4.617 4.556 -0.001 0.000 0.338 235 H C 0.875 176.197 175.328 -0.009 0.000 1.047 235 H CA 0.591 56.635 56.048 -0.007 0.000 1.435 235 H CB 0.628 30.387 29.762 -0.004 0.000 1.428 235 H HN 0.135 nan 8.280 nan 0.000 0.590 236 E N 2.953 123.094 120.200 -0.098 0.000 2.347 236 E HA -0.122 4.228 4.350 -0.001 0.000 0.196 236 E C 0.673 177.360 176.600 0.145 0.000 1.008 236 E CA 0.766 57.174 56.400 0.013 0.000 0.852 236 E CB 0.234 29.893 29.700 -0.067 0.000 0.783 236 E HN 0.591 nan 8.360 nan 0.000 0.505 237 D N -0.408 120.236 120.400 0.407 0.000 2.440 237 D HA 0.048 4.688 4.640 -0.001 0.000 0.216 237 D C -0.715 175.630 176.300 0.075 0.000 1.150 237 D CA -0.044 54.086 54.000 0.217 0.000 0.832 237 D CB 0.631 41.556 40.800 0.209 0.000 0.992 237 D HN -0.223 nan 8.370 nan 0.000 0.502 238 V N 1.626 121.590 119.914 0.084 0.000 2.383 238 V HA 0.164 4.283 4.120 -0.001 0.000 0.275 238 V C 0.823 176.912 176.094 -0.010 0.000 1.036 238 V CA -0.431 61.860 62.300 -0.016 0.000 0.889 238 V CB 1.744 33.563 31.823 -0.006 0.000 0.985 238 V HN 0.061 nan 8.190 nan 0.000 0.459 239 D N 2.813 123.183 120.400 -0.050 0.000 2.249 239 D HA 0.044 4.684 4.640 -0.001 0.000 0.205 239 D C 0.793 177.062 176.300 -0.053 0.000 0.962 239 D CA 0.947 54.916 54.000 -0.052 0.000 0.860 239 D CB 0.568 41.315 40.800 -0.089 0.000 0.955 239 D HN 0.378 nan 8.370 nan 0.000 0.505 240 K N 0.542 120.910 120.400 -0.054 0.000 2.557 240 K HA 0.347 4.666 4.320 -0.001 0.000 0.261 240 K C -2.043 174.537 176.600 -0.033 0.000 0.932 240 K CA -0.606 55.642 56.287 -0.065 0.000 0.829 240 K CB 2.858 35.287 32.500 -0.118 0.000 1.358 240 K HN -0.145 nan 8.250 nan 0.000 0.430 241 V N 1.961 121.859 119.914 -0.027 0.000 2.656 241 V HA 0.838 4.958 4.120 -0.001 0.000 0.307 241 V C -1.359 174.759 176.094 0.039 0.000 1.051 241 V CA -0.406 61.909 62.300 0.025 0.000 0.893 241 V CB 1.635 33.480 31.823 0.037 0.000 0.999 241 V HN 0.876 nan 8.190 nan 0.000 0.426 242 A N 6.422 129.304 122.820 0.103 0.000 2.319 242 A HA 0.837 5.157 4.320 -0.001 0.000 0.310 242 A C -1.334 176.377 177.584 0.213 0.000 1.152 242 A CA -0.428 51.692 52.037 0.137 0.000 0.783 242 A CB 0.952 20.064 19.000 0.186 0.000 1.184 242 A HN 1.119 nan 8.150 nan 0.000 0.474 243 F N 2.043 122.026 119.950 0.055 0.000 2.520 243 F HA 0.726 5.253 4.527 -0.001 0.000 0.322 243 F C -0.349 175.492 175.800 0.068 0.000 1.103 243 F CA -0.068 57.964 58.000 0.053 0.000 0.926 243 F CB 2.372 41.392 39.000 0.034 0.000 1.154 243 F HN 0.392 nan 8.300 nan 0.000 0.453 244 T N 4.533 118.562 114.554 -0.875 0.000 2.890 244 T HA 0.753 5.102 4.350 -0.001 0.000 0.295 244 T C -0.185 173.879 174.700 -1.060 0.000 0.993 244 T CA -0.307 61.410 62.100 -0.638 0.000 0.979 244 T CB 1.039 69.760 68.868 -0.246 0.000 0.967 244 T HN 1.099 nan 8.240 nan 0.000 0.441 245 G N 1.913 110.264 108.800 -0.748 0.000 2.435 245 G HA2 0.500 4.460 3.960 -0.001 0.000 0.228 245 G HA3 0.500 4.460 3.960 -0.001 0.000 0.228 245 G C -0.620 174.275 174.900 -0.008 0.000 1.198 245 G CA -0.300 44.550 45.100 -0.417 0.000 0.948 245 G HN 0.865 nan 8.290 nan 0.000 0.487 246 S N -0.503 115.277 115.700 0.133 0.000 2.585 246 S HA 0.432 4.902 4.470 -0.001 0.000 0.273 246 S C 1.314 176.046 174.600 0.220 0.000 1.339 246 S CA 0.971 59.242 58.200 0.120 0.000 1.028 246 S CB 1.325 64.573 63.200 0.080 0.000 0.906 246 S HN 0.735 nan 8.310 nan 0.000 0.528 247 T N 1.118 115.780 114.554 0.181 0.000 2.759 247 T HA -0.146 4.203 4.350 -0.001 0.000 0.269 247 T C 1.637 176.390 174.700 0.089 0.000 1.042 247 T CA 1.740 63.936 62.100 0.160 0.000 1.140 247 T CB -0.530 68.437 68.868 0.166 0.000 0.864 247 T HN 0.853 nan 8.240 nan 0.000 0.455 248 E N 0.500 120.746 120.200 0.077 0.000 2.049 248 E HA -0.165 4.185 4.350 -0.001 0.000 0.198 248 E C 1.991 178.586 176.600 -0.008 0.000 1.007 248 E CA 1.214 57.634 56.400 0.033 0.000 0.809 248 E CB -0.070 29.655 29.700 0.042 0.000 0.749 248 E HN 0.304 nan 8.360 nan 0.000 0.450 249 I N 0.886 121.457 120.570 0.002 0.000 2.546 249 I HA -0.092 4.078 4.170 -0.001 0.000 0.255 249 I C 2.514 178.399 176.117 -0.386 0.000 1.163 249 I CA 1.176 62.390 61.300 -0.143 0.000 1.457 249 I CB -1.644 36.328 38.000 -0.048 0.000 1.092 249 I HN 0.239 nan 8.210 nan 0.000 0.434 250 G N 1.325 109.998 108.800 -0.212 0.000 2.440 250 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.218 250 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.218 250 G C 1.875 176.673 174.900 -0.169 0.000 1.154 250 G CA 0.472 45.450 45.100 -0.204 0.000 0.767 250 G HN 0.326 nan 8.290 nan 0.000 0.552 251 R N -0.192 120.248 120.500 -0.099 0.000 2.081 251 R HA -0.017 4.323 4.340 -0.001 0.000 0.235 251 R C 2.633 178.869 176.300 -0.106 0.000 1.131 251 R CA 1.173 57.225 56.100 -0.079 0.000 0.960 251 R CB -0.684 29.585 30.300 -0.052 0.000 0.856 251 R HN 0.287 nan 8.270 nan 0.000 0.436 252 V N 1.496 121.329 119.914 -0.134 0.000 2.343 252 V HA -0.250 3.870 4.120 -0.001 0.000 0.247 252 V C 2.306 178.306 176.094 -0.156 0.000 1.051 252 V CA 1.515 63.737 62.300 -0.131 0.000 1.036 252 V CB -0.449 31.296 31.823 -0.131 0.000 0.654 252 V HN 0.250 nan 8.190 nan 0.000 0.451 253 I N -0.010 120.410 120.570 -0.250 0.000 2.179 253 I HA -0.292 3.877 4.170 -0.001 0.000 0.242 253 I C 2.562 178.601 176.117 -0.129 0.000 1.088 253 I CA 2.052 63.212 61.300 -0.233 0.000 1.357 253 I CB -1.240 36.528 38.000 -0.385 0.000 1.051 253 I HN 0.437 nan 8.210 nan 0.000 0.409 254 Q N 0.695 120.428 119.800 -0.112 0.000 2.124 254 Q HA -0.142 4.198 4.340 -0.001 0.000 0.202 254 Q C 2.282 178.246 176.000 -0.059 0.000 0.977 254 Q CA 1.666 57.427 55.803 -0.069 0.000 0.850 254 Q CB 0.055 28.760 28.738 -0.056 0.000 0.901 254 Q HN 0.307 nan 8.270 nan 0.000 0.429 255 V N 0.632 120.508 119.914 -0.064 0.000 2.427 255 V HA -0.239 3.880 4.120 -0.001 0.000 0.248 255 V C 2.269 178.334 176.094 -0.048 0.000 1.051 255 V CA 1.680 63.949 62.300 -0.052 0.000 1.048 255 V CB -0.947 30.845 31.823 -0.051 0.000 0.666 255 V HN 0.548 nan 8.190 nan 0.000 0.456 256 A N -0.107 122.680 122.820 -0.055 0.000 1.930 256 A HA -0.065 4.255 4.320 -0.001 0.000 0.217 256 A C 2.402 179.965 177.584 -0.034 0.000 1.175 256 A CA 1.895 53.906 52.037 -0.044 0.000 0.627 256 A CB -0.637 18.334 19.000 -0.048 0.000 0.815 256 A HN 0.551 nan 8.150 nan 0.000 0.443 257 A N -0.507 122.290 122.820 -0.037 0.000 1.898 257 A HA 0.158 4.478 4.320 -0.001 0.000 0.216 257 A C 2.364 179.932 177.584 -0.027 0.000 1.181 257 A CA 1.811 53.832 52.037 -0.028 0.000 0.620 257 A CB -1.234 17.747 19.000 -0.032 0.000 0.819 257 A HN 0.686 nan 8.150 nan 0.000 0.442 258 G N -1.175 107.606 108.800 -0.031 0.000 2.421 258 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.217 258 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.217 258 G C 1.701 176.586 174.900 -0.026 0.000 1.143 258 G CA 1.157 46.240 45.100 -0.028 0.000 0.784 258 G HN 0.476 nan 8.290 nan 0.000 0.541 259 S N 0.356 116.039 115.700 -0.027 0.000 2.461 259 S HA -0.014 4.455 4.470 -0.001 0.000 0.228 259 S C 2.432 177.017 174.600 -0.025 0.000 1.005 259 S CA 1.118 59.303 58.200 -0.026 0.000 0.942 259 S CB -0.017 63.166 63.200 -0.028 0.000 0.776 259 S HN 0.629 nan 8.310 nan 0.000 0.514 260 S N 3.301 118.987 115.700 -0.023 0.000 2.790 260 S HA 0.083 4.552 4.470 -0.001 0.000 0.162 260 S C 0.999 175.589 174.600 -0.016 0.000 0.792 260 S CA 0.249 58.436 58.200 -0.021 0.000 1.089 260 S CB -0.588 62.602 63.200 -0.017 0.000 0.666 260 S HN 0.506 nan 8.310 nan 0.000 0.521 261 N N 1.343 120.038 118.700 -0.008 0.000 2.238 261 N HA 0.250 4.990 4.740 -0.001 0.000 0.222 261 N C 0.141 175.646 175.510 -0.008 0.000 1.133 261 N CA -0.108 52.939 53.050 -0.004 0.000 0.854 261 N CB -0.577 37.915 38.487 0.008 0.000 1.041 261 N HN 0.630 nan 8.380 nan 0.000 0.510 262 L N -0.431 120.784 121.223 -0.013 0.000 3.717 262 L HA -0.291 4.049 4.340 -0.001 0.000 0.411 262 L C -0.105 176.753 176.870 -0.020 0.000 1.233 262 L CA 0.569 55.398 54.840 -0.018 0.000 0.917 262 L CB -1.757 40.291 42.059 -0.018 0.000 1.902 262 L HN 0.443 nan 8.230 nan 0.000 0.894 263 K N -0.215 120.174 120.400 -0.017 0.000 2.380 263 K HA 0.408 4.727 4.320 -0.001 0.000 0.267 263 K C 0.401 176.980 176.600 -0.036 0.000 0.990 263 K CA -0.645 55.629 56.287 -0.023 0.000 0.946 263 K CB 0.443 32.935 32.500 -0.014 0.000 0.937 263 K HN -0.008 nan 8.250 nan 0.000 0.491 264 R N 0.861 121.331 120.500 -0.051 0.000 2.643 264 R HA 0.219 4.558 4.340 -0.001 0.000 0.270 264 R C -0.576 175.683 176.300 -0.068 0.000 1.061 264 R CA -0.280 55.781 56.100 -0.067 0.000 1.107 264 R CB 0.775 31.019 30.300 -0.093 0.000 0.999 264 R HN 0.465 nan 8.270 nan 0.000 0.460 265 V N 1.259 121.136 119.914 -0.062 0.000 2.709 265 V HA 0.608 4.728 4.120 -0.001 0.000 0.308 265 V C -0.558 175.512 176.094 -0.041 0.000 1.062 265 V CA -0.852 61.422 62.300 -0.043 0.000 0.901 265 V CB 2.253 34.060 31.823 -0.026 0.000 1.003 265 V HN 0.980 nan 8.190 nan 0.000 0.425 266 T N 2.382 116.926 114.554 -0.017 0.000 2.916 266 T HA 0.847 5.197 4.350 -0.001 0.000 0.298 266 T C -1.077 173.672 174.700 0.081 0.000 1.031 266 T CA -0.654 61.449 62.100 0.004 0.000 0.993 266 T CB 1.526 70.375 68.868 -0.030 0.000 1.045 266 T HN 0.403 nan 8.240 nan 0.000 0.454 267 L N 1.917 123.198 121.223 0.098 0.000 2.381 267 L HA 0.666 5.006 4.340 -0.001 0.000 0.268 267 L C -0.336 176.624 176.870 0.149 0.000 0.997 267 L CA -0.956 53.988 54.840 0.174 0.000 0.818 267 L CB 2.247 44.412 42.059 0.178 0.000 1.310 267 L HN 0.643 nan 8.230 nan 0.000 0.416 268 E N 4.391 124.690 120.200 0.165 0.000 2.331 268 E HA 0.457 4.807 4.350 -0.001 0.000 0.243 268 E C -0.875 175.804 176.600 0.132 0.000 0.925 268 E CA -0.200 56.293 56.400 0.156 0.000 0.760 268 E CB 2.079 31.901 29.700 0.203 0.000 1.254 268 E HN 0.465 nan 8.360 nan 0.000 0.419 269 L N 0.018 121.335 121.223 0.156 0.000 2.805 269 L HA 0.616 4.956 4.340 -0.001 0.000 0.242 269 L C 1.368 178.319 176.870 0.134 0.000 1.180 269 L CA -0.997 53.939 54.840 0.160 0.000 1.001 269 L CB 0.160 42.345 42.059 0.211 0.000 1.864 269 L HN 0.389 nan 8.230 nan 0.000 0.551 270 G N -1.582 107.289 108.800 0.119 0.000 2.525 270 G HA2 0.525 4.485 3.960 -0.001 0.000 0.276 270 G HA3 0.525 4.485 3.960 -0.001 0.000 0.276 270 G C -0.437 174.349 174.900 -0.191 0.000 1.388 270 G CA 0.235 45.317 45.100 -0.030 0.000 1.050 270 G HN 0.854 nan 8.290 nan 0.000 0.520 271 G N -2.233 106.219 108.800 -0.579 0.000 2.559 271 G HA2 0.487 4.447 3.960 -0.001 0.000 0.291 271 G HA3 0.487 4.447 3.960 -0.001 0.000 0.291 271 G C -1.339 173.159 174.900 -0.670 0.000 1.424 271 G CA -0.507 44.194 45.100 -0.665 0.000 0.786 271 G HN 0.597 nan 8.290 nan 0.000 0.485 272 K N 0.473 120.696 120.400 -0.295 0.000 3.394 272 K HA 0.420 4.740 4.320 -0.001 0.000 0.175 272 K C -0.017 176.620 176.600 0.062 0.000 1.047 272 K CA -0.335 55.905 56.287 -0.078 0.000 0.814 272 K CB 0.190 32.728 32.500 0.063 0.000 0.803 272 K HN 0.439 nan 8.250 nan 0.000 0.522 273 S N 3.668 119.423 115.700 0.092 0.000 2.544 273 S HA 0.110 4.580 4.470 -0.001 0.000 0.290 273 S C -2.302 172.425 174.600 0.212 0.000 1.276 273 S CA -0.467 57.839 58.200 0.177 0.000 1.075 273 S CB 0.228 63.598 63.200 0.283 0.000 0.849 273 S HN 0.358 nan 8.310 nan 0.000 0.494 274 P HA 0.181 nan 4.420 nan 0.000 0.285 274 P C -1.056 176.445 177.300 0.336 0.000 1.259 274 P CA -0.636 62.651 63.100 0.311 0.000 0.794 274 P CB 0.539 32.455 31.700 0.361 0.000 0.940 275 N N 3.865 122.753 118.700 0.312 0.000 2.564 275 N HA 0.294 5.034 4.740 -0.001 0.000 0.248 275 N C -0.690 174.997 175.510 0.296 0.000 0.986 275 N CA -0.616 52.629 53.050 0.326 0.000 0.921 275 N CB 0.471 39.050 38.487 0.153 0.000 1.136 275 N HN 0.304 nan 8.380 nan 0.000 0.509 276 I N 4.524 125.286 120.570 0.320 0.000 2.312 276 I HA 0.254 4.423 4.170 -0.001 0.000 0.291 276 I C -0.060 176.255 176.117 0.329 0.000 1.031 276 I CA -0.608 60.852 61.300 0.266 0.000 1.293 276 I CB 0.949 38.998 38.000 0.082 0.000 1.403 276 I HN 0.364 nan 8.210 nan 0.000 0.484 277 I N 7.087 127.831 120.570 0.291 0.000 2.328 277 I HA 0.320 4.490 4.170 -0.001 0.000 0.287 277 I C 0.193 176.497 176.117 0.311 0.000 1.012 277 I CA -0.544 60.892 61.300 0.228 0.000 1.195 277 I CB 0.920 38.849 38.000 -0.118 0.000 1.350 277 I HN 0.479 nan 8.210 nan 0.000 0.464 278 M N 3.788 123.584 119.600 0.326 0.000 2.247 278 M HA 0.148 4.627 4.480 -0.001 0.000 0.326 278 M C 1.678 178.078 176.300 0.167 0.000 1.134 278 M CA -0.055 55.416 55.300 0.286 0.000 1.136 278 M CB 0.755 33.507 32.600 0.253 0.000 1.454 278 M HN 0.672 nan 8.290 nan 0.000 0.467 279 S N 0.307 116.064 115.700 0.094 0.000 2.442 279 S HA -0.153 4.317 4.470 -0.001 0.000 0.236 279 S C 0.800 175.456 174.600 0.093 0.000 1.007 279 S CA 1.368 59.605 58.200 0.062 0.000 0.965 279 S CB -0.521 62.689 63.200 0.016 0.000 0.773 279 S HN 0.747 nan 8.310 nan 0.000 0.504 280 D N 1.527 121.994 120.400 0.112 0.000 2.342 280 D HA 0.379 5.019 4.640 -0.001 0.000 0.221 280 D C 0.585 176.973 176.300 0.146 0.000 1.101 280 D CA 0.102 54.168 54.000 0.110 0.000 0.837 280 D CB -0.278 40.577 40.800 0.091 0.000 0.938 280 D HN 0.506 nan 8.370 nan 0.000 0.508 281 A N 0.483 123.419 122.820 0.193 0.000 2.346 281 A HA 0.229 4.548 4.320 -0.001 0.000 0.252 281 A C -0.121 177.611 177.584 0.247 0.000 1.089 281 A CA -0.380 51.816 52.037 0.265 0.000 0.797 281 A CB 0.096 19.304 19.000 0.348 0.000 1.047 281 A HN 0.186 nan 8.150 nan 0.000 0.494 282 D N 1.246 121.827 120.400 0.300 0.000 2.344 282 D HA 0.228 4.868 4.640 -0.001 0.000 0.253 282 D C 1.098 177.568 176.300 0.284 0.000 1.255 282 D CA -0.291 53.866 54.000 0.261 0.000 0.894 282 D CB 0.330 41.295 40.800 0.275 0.000 1.067 282 D HN 0.428 nan 8.370 nan 0.000 0.492 283 M N 3.570 123.292 119.600 0.203 0.000 2.110 283 M HA -0.221 4.259 4.480 -0.001 0.000 0.257 283 M C 1.101 177.472 176.300 0.119 0.000 1.071 283 M CA 1.929 57.329 55.300 0.168 0.000 1.096 283 M CB -0.375 32.293 32.600 0.113 0.000 1.300 283 M HN 0.471 nan 8.290 nan 0.000 0.411 284 D N -0.934 119.536 120.400 0.117 0.000 2.106 284 D HA -0.258 4.382 4.640 -0.001 0.000 0.191 284 D C 1.847 178.240 176.300 0.155 0.000 0.997 284 D CA 1.632 55.688 54.000 0.092 0.000 0.834 284 D CB -0.798 40.066 40.800 0.108 0.000 0.956 284 D HN 0.672 nan 8.370 nan 0.000 0.448 285 W N 1.691 123.023 121.300 0.053 0.000 2.333 285 W HA -0.231 4.428 4.660 -0.001 0.000 0.316 285 W C 2.269 178.844 176.519 0.094 0.000 1.215 285 W CA 1.751 59.156 57.345 0.099 0.000 1.278 285 W CB -0.184 29.376 29.460 0.167 0.000 1.154 285 W HN -0.012 nan 8.180 nan 0.000 0.486 286 A N 0.381 123.277 122.820 0.126 0.000 1.908 286 A HA -0.221 4.098 4.320 -0.001 0.000 0.218 286 A C 2.034 179.490 177.584 -0.213 0.000 1.181 286 A CA 2.431 54.345 52.037 -0.205 0.000 0.627 286 A CB -1.227 17.832 19.000 0.099 0.000 0.818 286 A HN 0.187 nan 8.150 nan 0.000 0.445 287 V N -0.173 119.625 119.914 -0.192 0.000 2.343 287 V HA -0.228 3.892 4.120 -0.001 0.000 0.247 287 V C 2.621 178.552 176.094 -0.272 0.000 1.051 287 V CA 2.444 64.480 62.300 -0.440 0.000 1.036 287 V CB -0.653 30.869 31.823 -0.503 0.000 0.654 287 V HN 0.705 nan 8.190 nan 0.000 0.451 288 E N -0.220 119.842 120.200 -0.230 0.000 2.106 288 E HA -0.180 4.169 4.350 -0.001 0.000 0.192 288 E C 2.263 178.743 176.600 -0.200 0.000 0.984 288 E CA 1.127 57.412 56.400 -0.191 0.000 0.806 288 E CB -0.187 29.406 29.700 -0.179 0.000 0.750 288 E HN 0.479 nan 8.360 nan 0.000 0.458 289 Q N -0.500 119.055 119.800 -0.408 0.000 2.172 289 Q HA 0.052 4.391 4.340 -0.001 0.000 0.200 289 Q C 2.018 177.902 176.000 -0.193 0.000 0.964 289 Q CA 1.235 56.822 55.803 -0.360 0.000 0.855 289 Q CB -0.201 28.227 28.738 -0.516 0.000 0.918 289 Q HN 0.370 nan 8.270 nan 0.000 0.444 290 A N -0.162 122.526 122.820 -0.219 0.000 1.968 290 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 290 A C 1.883 179.465 177.584 -0.004 0.000 1.169 290 A CA 1.658 53.624 52.037 -0.119 0.000 0.638 290 A CB -0.615 18.453 19.000 0.114 0.000 0.812 290 A HN 0.424 nan 8.150 nan 0.000 0.446 291 H N -1.527 117.539 119.070 -0.006 0.000 2.299 291 H HA -0.120 4.436 4.556 -0.001 0.000 0.302 291 H C 1.692 177.165 175.328 0.242 0.000 1.078 291 H CA 2.184 58.331 56.048 0.165 0.000 1.323 291 H CB -0.393 29.398 29.762 0.048 0.000 1.381 291 H HN 0.455 nan 8.280 nan 0.000 0.498 292 F N 0.709 120.687 119.950 0.046 0.000 2.171 292 F HA -0.128 4.399 4.527 -0.001 0.000 0.300 292 F C 2.490 178.254 175.800 -0.061 0.000 1.090 292 F CA 1.320 59.325 58.000 0.008 0.000 1.293 292 F CB -0.586 38.377 39.000 -0.062 0.000 1.013 292 F HN 0.291 nan 8.300 nan 0.000 0.486 293 A N 0.175 122.901 122.820 -0.155 0.000 1.948 293 A HA -0.198 4.121 4.320 -0.001 0.000 0.220 293 A C 2.119 179.450 177.584 -0.423 0.000 1.177 293 A CA 2.121 53.834 52.037 -0.541 0.000 0.636 293 A CB -0.945 17.454 19.000 -1.002 0.000 0.815 293 A HN 0.597 nan 8.150 nan 0.000 0.449 294 L N -3.169 117.845 121.223 -0.349 0.000 2.349 294 L HA 0.300 4.640 4.340 -0.001 0.000 0.200 294 L C 1.897 178.479 176.870 -0.480 0.000 1.064 294 L CA 0.699 55.283 54.840 -0.426 0.000 0.821 294 L CB 0.026 41.746 42.059 -0.563 0.000 1.027 294 L HN 0.273 nan 8.230 nan 0.000 0.476 295 F N -0.595 119.162 119.950 -0.322 0.000 2.661 295 F HA 0.002 4.529 4.527 -0.001 0.000 0.298 295 F C 0.998 176.672 175.800 -0.209 0.000 1.137 295 F CA 0.042 57.862 58.000 -0.300 0.000 1.454 295 F CB -0.425 38.287 39.000 -0.481 0.000 1.103 295 F HN -0.060 nan 8.300 nan 0.000 0.577 296 F N 1.988 121.754 119.950 -0.306 0.000 2.629 296 F HA -0.048 4.478 4.527 -0.001 0.000 0.377 296 F C 1.239 176.903 175.800 -0.228 0.000 1.101 296 F CA -0.162 57.615 58.000 -0.372 0.000 1.301 296 F CB 0.162 38.682 39.000 -0.801 0.000 1.062 296 F HN 0.084 nan 8.300 nan 0.000 0.583 297 N N 3.566 121.719 118.700 -0.911 0.000 2.725 297 N HA -0.301 4.438 4.740 -0.001 0.000 0.251 297 N C -0.024 175.206 175.510 -0.467 0.000 1.031 297 N CA 1.377 53.922 53.050 -0.841 0.000 0.720 297 N CB -0.992 36.806 38.487 -1.148 0.000 0.930 297 N HN 0.773 nan 8.380 nan 0.000 0.543 298 Q N -2.095 117.548 119.800 -0.262 0.000 2.468 298 Q HA -0.180 4.159 4.340 -0.001 0.000 0.256 298 Q C 1.199 177.094 176.000 -0.176 0.000 0.984 298 Q CA 2.271 57.990 55.803 -0.139 0.000 1.110 298 Q CB -1.808 26.852 28.738 -0.130 0.000 1.527 298 Q HN 1.228 nan 8.270 nan 0.000 0.535 299 G N -1.024 107.625 108.800 -0.253 0.000 2.162 299 G HA2 -0.389 3.571 3.960 -0.001 0.000 0.260 299 G HA3 -0.389 3.571 3.960 -0.001 0.000 0.260 299 G C 0.117 174.697 174.900 -0.532 0.000 0.976 299 G CA 0.427 45.333 45.100 -0.323 0.000 0.655 299 G HN 0.464 nan 8.290 nan 0.000 0.533 300 Q N -0.135 119.270 119.800 -0.658 0.000 3.207 300 Q HA 0.474 4.813 4.340 -0.001 0.000 0.335 300 Q C 0.012 175.356 176.000 -1.093 0.000 1.374 300 Q CA -0.061 54.982 55.803 -1.266 0.000 1.023 300 Q CB 0.632 29.041 28.738 -0.549 0.000 1.576 300 Q HN 0.371 nan 8.270 nan 0.000 0.515 301 C N 0.097 118.927 119.300 -0.784 0.000 2.396 301 C HA 0.292 4.752 4.460 -0.001 0.000 0.321 301 C C 2.073 177.144 174.990 0.134 0.000 1.233 301 C CA -0.802 58.154 59.018 -0.103 0.000 1.440 301 C CB 0.029 27.838 27.740 0.115 0.000 2.110 301 C HN 0.981 nan 8.230 nan 0.000 0.473 302 C N 2.162 121.676 119.300 0.356 0.000 2.401 302 C HA -0.114 4.345 4.460 -0.001 0.000 0.276 302 C C 2.128 177.334 174.990 0.359 0.000 1.233 302 C CA 1.750 61.014 59.018 0.409 0.000 1.753 302 C CB -2.343 25.624 27.740 0.378 0.000 2.029 302 C HN 1.001 nan 8.230 nan 0.000 0.478 303 C N 1.581 121.166 119.300 0.475 0.000 2.525 303 C HA 0.725 5.185 4.460 -0.001 0.000 0.313 303 C C 1.356 176.663 174.990 0.528 0.000 1.311 303 C CA -0.920 58.414 59.018 0.527 0.000 1.725 303 C CB -2.643 25.571 27.740 0.790 0.000 1.926 303 C HN 0.785 nan 8.230 nan 0.000 0.595 304 A N 1.077 124.093 122.820 0.327 0.000 2.540 304 A HA 0.456 4.776 4.320 -0.001 0.000 0.239 304 A C 1.131 178.809 177.584 0.155 0.000 1.061 304 A CA 0.772 52.920 52.037 0.185 0.000 0.758 304 A CB -0.086 18.906 19.000 -0.013 0.000 0.991 304 A HN 1.106 nan 8.150 nan 0.000 0.502 305 G N 1.633 110.411 108.800 -0.036 0.000 2.916 305 G HA2 0.329 4.289 3.960 -0.001 0.000 0.280 305 G HA3 0.329 4.289 3.960 -0.001 0.000 0.280 305 G C 0.893 175.725 174.900 -0.113 0.000 0.758 305 G CA 0.379 45.422 45.100 -0.095 0.000 1.993 305 G HN 1.177 nan 8.290 nan 0.000 0.564 306 S N 0.888 116.556 115.700 -0.053 0.000 2.650 306 S HA 0.172 4.642 4.470 -0.001 0.000 0.219 306 S C 0.965 175.505 174.600 -0.101 0.000 0.960 306 S CA -0.236 57.905 58.200 -0.099 0.000 0.925 306 S CB 0.376 63.523 63.200 -0.090 0.000 0.775 306 S HN 0.426 nan 8.310 nan 0.000 0.525 307 R N 1.574 122.021 120.500 -0.089 0.000 2.721 307 R HA 0.242 4.582 4.340 -0.001 0.000 0.272 307 R C -1.285 174.880 176.300 -0.224 0.000 1.721 307 R CA -0.081 55.898 56.100 -0.202 0.000 1.325 307 R CB 1.255 31.458 30.300 -0.162 0.000 1.271 307 R HN 0.147 nan 8.270 nan 0.000 0.556 308 T N 3.711 118.140 114.554 -0.209 0.000 2.863 308 T HA 0.234 4.584 4.350 -0.001 0.000 0.299 308 T C -0.062 174.544 174.700 -0.155 0.000 0.973 308 T CA 0.100 62.127 62.100 -0.121 0.000 0.994 308 T CB -0.211 68.625 68.868 -0.053 0.000 0.961 308 T HN 0.163 nan 8.240 nan 0.000 0.552 309 F N 2.636 122.616 119.950 0.051 0.000 2.424 309 F HA 0.419 4.946 4.527 -0.001 0.000 0.356 309 F C 0.377 176.327 175.800 0.251 0.000 1.110 309 F CA -0.641 57.462 58.000 0.172 0.000 1.161 309 F CB 0.850 39.875 39.000 0.042 0.000 1.115 309 F HN 0.179 nan 8.300 nan 0.000 0.507 310 V N 4.070 124.236 119.914 0.420 0.000 2.531 310 V HA 0.222 4.341 4.120 -0.001 0.000 0.301 310 V C -0.145 175.887 176.094 -0.103 0.000 1.034 310 V CA -1.099 61.255 62.300 0.090 0.000 0.865 310 V CB 1.508 33.188 31.823 -0.238 0.000 0.995 310 V HN 0.567 nan 8.190 nan 0.000 0.424 311 Q N 3.343 122.834 119.800 -0.515 0.000 2.286 311 Q HA -0.003 4.337 4.340 -0.001 0.000 0.290 311 Q C 1.474 177.274 176.000 -0.335 0.000 1.049 311 Q CA 0.437 55.687 55.803 -0.922 0.000 0.923 311 Q CB 1.044 29.403 28.738 -0.631 0.000 1.183 311 Q HN 1.018 nan 8.270 nan 0.000 0.383 312 E N 3.033 123.047 120.200 -0.309 0.000 2.169 312 E HA -0.282 4.067 4.350 -0.001 0.000 0.202 312 E C 0.280 176.868 176.600 -0.020 0.000 1.016 312 E CA 1.851 58.178 56.400 -0.121 0.000 0.817 312 E CB 0.003 29.620 29.700 -0.138 0.000 0.736 312 E HN 0.560 nan 8.360 nan 0.000 0.462 313 D N 0.985 121.358 120.400 -0.046 0.000 2.264 313 D HA -0.078 4.562 4.640 -0.001 0.000 0.208 313 D C 1.966 178.291 176.300 0.042 0.000 0.966 313 D CA 1.342 55.343 54.000 0.001 0.000 0.864 313 D CB -0.042 40.752 40.800 -0.010 0.000 0.933 313 D HN 0.644 nan 8.370 nan 0.000 0.499 314 I N -3.795 116.808 120.570 0.054 0.000 4.240 314 I HA 0.194 4.363 4.170 -0.001 0.000 0.331 314 I C 1.722 177.927 176.117 0.146 0.000 1.381 314 I CA -0.569 60.789 61.300 0.096 0.000 1.136 314 I CB -0.038 38.021 38.000 0.099 0.000 1.137 314 I HN -0.252 nan 8.210 nan 0.000 0.411 315 Y N 2.907 123.216 120.300 0.016 0.000 2.053 315 Y HA -0.295 4.255 4.550 -0.001 0.000 0.277 315 Y C 2.071 178.036 175.900 0.109 0.000 1.159 315 Y CA 2.337 60.463 58.100 0.044 0.000 1.125 315 Y CB -0.114 38.342 38.460 -0.007 0.000 0.969 315 Y HN 0.199 nan 8.280 nan 0.000 0.492 316 D N 0.059 120.593 120.400 0.223 0.000 2.104 316 D HA -0.225 4.415 4.640 -0.001 0.000 0.194 316 D C 2.087 178.404 176.300 0.030 0.000 0.994 316 D CA 1.812 55.884 54.000 0.120 0.000 0.830 316 D CB -0.456 40.430 40.800 0.143 0.000 0.959 316 D HN 0.621 nan 8.370 nan 0.000 0.452 317 E N -0.616 119.617 120.200 0.056 0.000 2.072 317 E HA -0.159 4.191 4.350 -0.001 0.000 0.191 317 E C 2.050 178.656 176.600 0.009 0.000 0.985 317 E CA 0.384 56.803 56.400 0.031 0.000 0.801 317 E CB -0.198 29.531 29.700 0.050 0.000 0.750 317 E HN 0.224 nan 8.360 nan 0.000 0.452 318 F N 0.607 120.497 119.950 -0.099 0.000 2.134 318 F HA -0.212 4.315 4.527 -0.001 0.000 0.299 318 F C 2.016 177.713 175.800 -0.171 0.000 1.097 318 F CA 1.228 59.154 58.000 -0.123 0.000 1.264 318 F CB -0.051 38.874 39.000 -0.125 0.000 1.001 318 F HN -0.105 nan 8.300 nan 0.000 0.479 319 V N 0.319 120.208 119.914 -0.042 0.000 2.358 319 V HA -0.272 3.847 4.120 -0.001 0.000 0.246 319 V C 2.241 178.267 176.094 -0.114 0.000 1.047 319 V CA 2.199 64.425 62.300 -0.123 0.000 1.035 319 V CB -0.673 30.985 31.823 -0.274 0.000 0.658 319 V HN 0.336 nan 8.190 nan 0.000 0.452 320 E N 0.043 120.186 120.200 -0.095 0.000 2.058 320 E HA -0.252 4.098 4.350 -0.001 0.000 0.194 320 E C 2.493 179.021 176.600 -0.120 0.000 0.997 320 E CA 1.497 57.849 56.400 -0.081 0.000 0.801 320 E CB -0.178 29.490 29.700 -0.054 0.000 0.746 320 E HN 0.546 nan 8.360 nan 0.000 0.450 321 R N 0.308 120.706 120.500 -0.169 0.000 2.081 321 R HA -0.066 4.274 4.340 -0.001 0.000 0.235 321 R C 2.614 178.761 176.300 -0.256 0.000 1.131 321 R CA 1.293 57.265 56.100 -0.214 0.000 0.960 321 R CB -0.198 29.945 30.300 -0.262 0.000 0.856 321 R HN -0.008 nan 8.270 nan 0.000 0.436 322 S N 0.340 115.855 115.700 -0.310 0.000 2.356 322 S HA -0.107 4.363 4.470 -0.001 0.000 0.223 322 S C 2.098 176.632 174.600 -0.110 0.000 1.032 322 S CA 1.278 59.339 58.200 -0.232 0.000 1.005 322 S CB -0.148 62.939 63.200 -0.188 0.000 0.867 322 S HN 0.072 nan 8.310 nan 0.000 0.449 323 V N 1.895 121.754 119.914 -0.093 0.000 2.407 323 V HA -0.189 3.931 4.120 -0.001 0.000 0.248 323 V C 2.574 178.610 176.094 -0.096 0.000 1.055 323 V CA 1.659 63.919 62.300 -0.066 0.000 1.049 323 V CB -1.132 30.659 31.823 -0.053 0.000 0.662 323 V HN 0.538 nan 8.190 nan 0.000 0.455 324 A N 0.219 122.968 122.820 -0.119 0.000 1.930 324 A HA -0.219 4.101 4.320 -0.001 0.000 0.217 324 A C 2.302 179.783 177.584 -0.172 0.000 1.175 324 A CA 1.940 53.901 52.037 -0.127 0.000 0.627 324 A CB -0.472 18.456 19.000 -0.119 0.000 0.815 324 A HN 0.449 nan 8.150 nan 0.000 0.443 325 R N 0.222 120.583 120.500 -0.231 0.000 2.092 325 R HA 0.049 4.388 4.340 -0.001 0.000 0.231 325 R C 2.087 178.137 176.300 -0.417 0.000 1.119 325 R CA 1.790 57.666 56.100 -0.373 0.000 0.970 325 R CB -0.835 29.164 30.300 -0.502 0.000 0.864 325 R HN 0.374 nan 8.270 nan 0.000 0.440 326 A N 0.622 123.287 122.820 -0.259 0.000 1.930 326 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 326 A C 1.949 179.420 177.584 -0.188 0.000 1.175 326 A CA 1.508 53.411 52.037 -0.224 0.000 0.627 326 A CB -0.361 18.566 19.000 -0.122 0.000 0.815 326 A HN 0.344 nan 8.150 nan 0.000 0.443 327 K N 0.298 120.613 120.400 -0.142 0.000 2.148 327 K HA -0.092 4.227 4.320 -0.001 0.000 0.204 327 K C 2.140 178.675 176.600 -0.110 0.000 1.050 327 K CA 1.475 57.698 56.287 -0.107 0.000 0.942 327 K CB -0.134 32.315 32.500 -0.086 0.000 0.724 327 K HN 0.655 nan 8.250 nan 0.000 0.446 328 S N 0.589 116.207 115.700 -0.138 0.000 2.562 328 S HA -0.024 4.446 4.470 -0.001 0.000 0.221 328 S C 0.876 175.405 174.600 -0.119 0.000 0.975 328 S CA -0.197 57.930 58.200 -0.123 0.000 0.918 328 S CB -0.068 63.051 63.200 -0.135 0.000 0.772 328 S HN 0.132 nan 8.310 nan 0.000 0.531 329 R N 2.078 122.493 120.500 -0.142 0.000 2.399 329 R HA 0.206 4.545 4.340 -0.001 0.000 0.324 329 R C -0.966 175.300 176.300 -0.058 0.000 1.030 329 R CA -0.139 55.900 56.100 -0.101 0.000 0.984 329 R CB 0.137 30.363 30.300 -0.124 0.000 0.961 329 R HN 0.177 nan 8.270 nan 0.000 0.433 330 V N 6.381 126.276 119.914 -0.032 0.000 2.446 330 V HA 0.064 4.183 4.120 -0.001 0.000 0.276 330 V C 0.236 176.331 176.094 0.002 0.000 1.030 330 V CA -0.146 62.142 62.300 -0.020 0.000 1.033 330 V CB 1.023 32.838 31.823 -0.014 0.000 0.993 330 V HN 0.441 nan 8.190 nan 0.000 0.477 331 V N 4.942 124.851 119.914 -0.008 0.000 2.435 331 V HA 1.002 5.121 4.120 -0.001 0.000 0.290 331 V C 0.659 176.707 176.094 -0.077 0.000 1.030 331 V CA 0.516 62.828 62.300 0.020 0.000 0.881 331 V CB 1.054 32.904 31.823 0.045 0.000 0.983 331 V HN 1.139 nan 8.190 nan 0.000 0.445 332 G N 3.306 112.072 108.800 -0.057 0.000 2.335 332 G HA2 0.147 4.106 3.960 -0.001 0.000 0.291 332 G HA3 0.147 4.106 3.960 -0.001 0.000 0.291 332 G C -1.011 173.890 174.900 0.002 0.000 1.261 332 G CA -0.874 44.099 45.100 -0.213 0.000 0.871 332 G HN 0.623 nan 8.290 nan 0.000 0.491 333 N N 1.942 120.634 118.700 -0.014 0.000 2.374 333 N HA 0.129 4.868 4.740 -0.001 0.000 0.269 333 N C -0.534 175.042 175.510 0.110 0.000 1.310 333 N CA -0.965 52.152 53.050 0.111 0.000 0.877 333 N CB 1.351 39.890 38.487 0.087 0.000 1.096 333 N HN 0.154 nan 8.380 nan 0.000 0.484 334 P HA -0.141 nan 4.420 nan 0.000 0.221 334 P C 0.903 178.133 177.300 -0.117 0.000 1.145 334 P CA 1.262 64.325 63.100 -0.062 0.000 0.795 334 P CB -0.047 31.535 31.700 -0.196 0.000 0.775 335 F N 0.014 120.000 119.950 0.061 0.000 2.661 335 F HA 0.036 4.563 4.527 -0.000 0.000 0.298 335 F C 0.886 176.701 175.800 0.025 0.000 1.137 335 F CA 0.204 58.218 58.000 0.023 0.000 1.454 335 F CB -0.289 38.673 39.000 -0.062 0.000 1.103 335 F HN -0.195 nan 8.300 nan 0.000 0.577 336 D N -0.113 120.390 120.400 0.171 0.000 2.317 336 D HA 0.032 4.672 4.640 -0.001 0.000 0.252 336 D C 1.365 177.726 176.300 0.100 0.000 1.174 336 D CA 0.177 54.243 54.000 0.109 0.000 0.866 336 D CB 1.447 42.286 40.800 0.065 0.000 1.127 336 D HN 0.058 nan 8.370 nan 0.000 0.467 337 S N 2.704 118.463 115.700 0.099 0.000 2.440 337 S HA -0.239 4.231 4.470 -0.001 0.000 0.240 337 S C 1.248 175.887 174.600 0.065 0.000 1.014 337 S CA 1.007 59.263 58.200 0.093 0.000 0.980 337 S CB -0.078 63.169 63.200 0.079 0.000 0.775 337 S HN 0.414 nan 8.310 nan 0.000 0.499 338 K N 0.876 121.305 120.400 0.047 0.000 2.400 338 K HA 0.113 4.433 4.320 -0.001 0.000 0.194 338 K C 0.024 176.644 176.600 0.032 0.000 1.033 338 K CA 0.348 56.654 56.287 0.031 0.000 1.021 338 K CB -0.056 32.453 32.500 0.015 0.000 0.808 338 K HN 0.287 nan 8.250 nan 0.000 0.505 339 T N 1.924 116.503 114.554 0.043 0.000 2.779 339 T HA 0.059 4.408 4.350 -0.001 0.000 0.296 339 T C 0.802 175.536 174.700 0.057 0.000 0.938 339 T CA 0.155 62.282 62.100 0.045 0.000 1.119 339 T CB 1.162 70.063 68.868 0.055 0.000 0.891 339 T HN 0.170 nan 8.240 nan 0.000 0.526 340 E N 1.858 122.092 120.200 0.057 0.000 2.251 340 E HA 0.042 4.391 4.350 -0.001 0.000 0.194 340 E C 0.795 177.444 176.600 0.080 0.000 0.964 340 E CA 0.250 56.697 56.400 0.079 0.000 0.868 340 E CB 0.558 30.304 29.700 0.077 0.000 0.828 340 E HN 0.551 nan 8.360 nan 0.000 0.481 341 Q N 0.233 120.079 119.800 0.077 0.000 2.304 341 Q HA 0.428 4.767 4.340 -0.001 0.000 0.270 341 Q C -0.630 175.453 176.000 0.138 0.000 1.035 341 Q CA -0.610 55.244 55.803 0.084 0.000 0.781 341 Q CB 1.820 30.616 28.738 0.096 0.000 1.261 341 Q HN 0.124 nan 8.270 nan 0.000 0.444 342 G N 3.073 111.922 108.800 0.080 0.000 2.543 342 G HA2 0.604 4.564 3.960 -0.001 0.000 0.267 342 G HA3 0.604 4.564 3.960 -0.001 0.000 0.267 342 G C -2.524 172.337 174.900 -0.065 0.000 1.406 342 G CA -1.019 44.145 45.100 0.106 0.000 1.048 342 G HN 0.561 nan 8.290 nan 0.000 0.548 343 P HA 0.208 nan 4.420 nan 0.000 0.277 343 P C -0.850 176.272 177.300 -0.297 0.000 1.271 343 P CA -0.387 62.230 63.100 -0.805 0.000 0.795 343 P CB 0.896 31.831 31.700 -1.276 0.000 1.101 344 Q N -0.289 119.426 119.800 -0.142 0.000 2.312 344 Q HA 0.086 4.425 4.340 -0.001 0.000 0.236 344 Q C 1.331 177.240 176.000 -0.153 0.000 0.965 344 Q CA -0.469 55.294 55.803 -0.067 0.000 0.894 344 Q CB 0.489 29.267 28.738 0.066 0.000 1.225 344 Q HN 0.187 nan 8.270 nan 0.000 0.478 345 V N 0.771 120.513 119.914 -0.286 0.000 2.332 345 V HA -0.233 3.886 4.120 -0.001 0.000 0.248 345 V C 0.343 176.200 176.094 -0.395 0.000 1.055 345 V CA 2.759 64.801 62.300 -0.430 0.000 1.038 345 V CB -0.076 31.194 31.823 -0.922 0.000 0.651 345 V HN 0.986 nan 8.190 nan 0.000 0.450 346 D N -3.538 116.556 120.400 -0.511 0.000 2.759 346 D HA 0.127 4.766 4.640 -0.001 0.000 0.321 346 D C 0.670 176.327 176.300 -1.072 0.000 1.267 346 D CA -0.135 53.465 54.000 -0.667 0.000 0.933 346 D CB 0.611 41.133 40.800 -0.464 0.000 1.431 346 D HN -0.020 nan 8.370 nan 0.000 0.504 347 E N -0.758 118.728 120.200 -1.189 0.000 2.106 347 E HA -0.136 4.214 4.350 -0.001 0.000 0.192 347 E C 1.181 177.614 176.600 -0.277 0.000 0.984 347 E CA 1.550 57.444 56.400 -0.844 0.000 0.806 347 E CB -0.024 29.421 29.700 -0.425 0.000 0.750 347 E HN 0.526 nan 8.360 nan 0.000 0.458 348 T N 1.112 115.524 114.554 -0.236 0.000 2.746 348 T HA -0.153 4.196 4.350 -0.001 0.000 0.267 348 T C 1.771 176.431 174.700 -0.067 0.000 1.039 348 T CA 1.045 63.078 62.100 -0.113 0.000 1.142 348 T CB -0.082 68.729 68.868 -0.095 0.000 0.866 348 T HN 0.133 nan 8.240 nan 0.000 0.444 349 Q N -0.002 119.734 119.800 -0.107 0.000 2.083 349 Q HA 0.047 4.387 4.340 -0.001 0.000 0.198 349 Q C 2.054 178.087 176.000 0.055 0.000 0.969 349 Q CA 0.935 56.736 55.803 -0.003 0.000 0.838 349 Q CB -0.700 28.003 28.738 -0.058 0.000 0.900 349 Q HN 0.535 nan 8.270 nan 0.000 0.436 350 F N 2.058 121.910 119.950 -0.164 0.000 2.065 350 F HA -0.272 4.255 4.527 -0.001 0.000 0.298 350 F C 2.041 177.827 175.800 -0.023 0.000 1.112 350 F CA 1.829 59.778 58.000 -0.084 0.000 1.212 350 F CB -0.038 38.876 39.000 -0.143 0.000 0.975 350 F HN -0.019 nan 8.300 nan 0.000 0.476 351 K N -0.033 120.371 120.400 0.008 0.000 2.097 351 K HA -0.197 4.123 4.320 -0.001 0.000 0.205 351 K C 2.196 178.737 176.600 -0.099 0.000 1.050 351 K CA 1.523 57.760 56.287 -0.082 0.000 0.938 351 K CB -0.261 32.239 32.500 0.000 0.000 0.718 351 K HN 0.213 nan 8.250 nan 0.000 0.442 352 K N 1.132 121.502 120.400 -0.049 0.000 2.057 352 K HA -0.115 4.204 4.320 -0.001 0.000 0.207 352 K C 1.955 178.553 176.600 -0.002 0.000 1.049 352 K CA 1.240 57.493 56.287 -0.056 0.000 0.931 352 K CB -0.023 32.497 32.500 0.034 0.000 0.714 352 K HN 0.052 nan 8.250 nan 0.000 0.440 353 I N 0.991 121.607 120.570 0.076 0.000 2.202 353 I HA -0.294 3.875 4.170 -0.001 0.000 0.242 353 I C 2.123 178.277 176.117 0.060 0.000 1.091 353 I CA 1.058 62.447 61.300 0.148 0.000 1.368 353 I CB -0.197 37.858 38.000 0.092 0.000 1.058 353 I HN 0.164 nan 8.210 nan 0.000 0.410 354 L N 0.439 121.603 121.223 -0.099 0.000 2.131 354 L HA -0.156 4.184 4.340 -0.001 0.000 0.210 354 L C 2.630 179.471 176.870 -0.048 0.000 1.092 354 L CA 1.502 56.272 54.840 -0.117 0.000 0.759 354 L CB -1.064 40.842 42.059 -0.255 0.000 0.903 354 L HN 0.343 nan 8.230 nan 0.000 0.435 355 G N -1.321 107.426 108.800 -0.089 0.000 2.408 355 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.217 355 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.217 355 G C 1.387 176.231 174.900 -0.094 0.000 1.150 355 G CA 0.405 45.429 45.100 -0.125 0.000 0.776 355 G HN 0.317 nan 8.290 nan 0.000 0.542 356 Y N 0.309 120.614 120.300 0.008 0.000 2.242 356 Y HA 0.051 4.600 4.550 -0.001 0.000 0.291 356 Y C 2.720 178.646 175.900 0.042 0.000 1.137 356 Y CA 0.397 58.506 58.100 0.015 0.000 1.181 356 Y CB 0.029 38.506 38.460 0.028 0.000 0.989 356 Y HN 0.114 nan 8.280 nan 0.000 0.527 357 I N 0.044 120.769 120.570 0.258 0.000 2.315 357 I HA -0.328 3.842 4.170 -0.001 0.000 0.248 357 I C 2.429 178.703 176.117 0.260 0.000 1.117 357 I CA 1.277 62.778 61.300 0.336 0.000 1.404 357 I CB -0.423 37.718 38.000 0.235 0.000 1.071 357 I HN 0.372 nan 8.210 nan 0.000 0.419 358 N N 0.555 119.333 118.700 0.131 0.000 2.120 358 N HA -0.166 4.574 4.740 -0.001 0.000 0.188 358 N C 1.717 177.263 175.510 0.060 0.000 1.024 358 N CA 1.897 54.997 53.050 0.083 0.000 0.852 358 N CB 0.093 38.597 38.487 0.029 0.000 1.003 358 N HN 0.250 nan 8.380 nan 0.000 0.424 359 T N -0.275 114.304 114.554 0.042 0.000 2.788 359 T HA -0.055 4.295 4.350 -0.001 0.000 0.268 359 T C 1.770 176.440 174.700 -0.049 0.000 1.044 359 T CA 1.292 63.399 62.100 0.012 0.000 1.139 359 T CB -0.670 68.227 68.868 0.047 0.000 0.867 359 T HN 0.444 nan 8.240 nan 0.000 0.454 360 G N 1.514 110.234 108.800 -0.134 0.000 2.422 360 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.218 360 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.218 360 G C 1.622 176.375 174.900 -0.246 0.000 1.146 360 G CA 0.702 45.500 45.100 -0.504 0.000 0.769 360 G HN 0.429 nan 8.290 nan 0.000 0.547 361 K N -0.155 120.283 120.400 0.065 0.000 2.057 361 K HA -0.003 4.317 4.320 -0.001 0.000 0.206 361 K C 2.704 179.343 176.600 0.065 0.000 1.050 361 K CA 0.978 57.361 56.287 0.160 0.000 0.935 361 K CB -0.074 32.538 32.500 0.187 0.000 0.715 361 K HN 0.140 nan 8.250 nan 0.000 0.439 362 Q N 0.810 120.629 119.800 0.031 0.000 2.167 362 Q HA -0.143 4.197 4.340 -0.001 0.000 0.202 362 Q C 1.400 177.401 176.000 0.002 0.000 0.970 362 Q CA 1.317 57.130 55.803 0.017 0.000 0.855 362 Q CB 0.133 28.877 28.738 0.011 0.000 0.911 362 Q HN 0.457 nan 8.270 nan 0.000 0.438 363 E N -0.908 119.278 120.200 -0.024 0.000 2.481 363 E HA 0.053 4.403 4.350 -0.001 0.000 0.195 363 E C 0.788 177.375 176.600 -0.021 0.000 1.047 363 E CA 0.405 56.787 56.400 -0.030 0.000 0.867 363 E CB 0.309 29.975 29.700 -0.057 0.000 0.858 363 E HN 0.495 nan 8.360 nan 0.000 0.513 364 G N 0.868 109.665 108.800 -0.006 0.000 2.179 364 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.220 364 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.220 364 G C 0.350 175.270 174.900 0.033 0.000 0.990 364 G CA -0.154 44.957 45.100 0.018 0.000 0.646 364 G HN 0.433 nan 8.290 nan 0.000 0.517 365 A N 0.289 123.108 122.820 -0.001 0.000 2.462 365 A HA 0.577 4.897 4.320 -0.001 0.000 0.243 365 A C 0.626 178.359 177.584 0.248 0.000 1.076 365 A CA 0.710 52.776 52.037 0.048 0.000 0.773 365 A CB 0.374 19.236 19.000 -0.230 0.000 1.010 365 A HN 0.541 nan 8.150 nan 0.000 0.493 366 K N 2.439 123.002 120.400 0.272 0.000 2.310 366 K HA 0.284 4.604 4.320 -0.001 0.000 0.290 366 K C -0.740 176.016 176.600 0.260 0.000 1.077 366 K CA -0.470 55.959 56.287 0.237 0.000 0.922 366 K CB 0.172 32.770 32.500 0.163 0.000 1.057 366 K HN 0.582 nan 8.250 nan 0.000 0.479 367 L N 6.453 127.778 121.223 0.169 0.000 2.433 367 L HA 0.080 4.420 4.340 -0.001 0.000 0.275 367 L C 0.281 177.106 176.870 -0.075 0.000 1.128 367 L CA 0.559 55.334 54.840 -0.107 0.000 0.875 367 L CB 0.434 42.438 42.059 -0.092 0.000 1.171 367 L HN 0.806 nan 8.230 nan 0.000 0.463 368 L N 4.686 125.841 121.223 -0.113 0.000 2.408 368 L HA 0.209 4.549 4.340 -0.001 0.000 0.215 368 L C 0.424 177.253 176.870 -0.068 0.000 1.081 368 L CA 0.229 55.037 54.840 -0.053 0.000 0.840 368 L CB 0.011 42.058 42.059 -0.020 0.000 1.002 368 L HN 0.820 nan 8.230 nan 0.000 0.468 369 C N -3.173 116.062 119.300 -0.109 0.000 3.292 369 C HA 0.758 5.217 4.460 -0.001 0.000 0.338 369 C C 0.700 175.628 174.990 -0.103 0.000 1.323 369 C CA -0.616 58.351 59.018 -0.084 0.000 1.232 369 C CB 0.821 28.527 27.740 -0.058 0.000 1.517 369 C HN 0.619 nan 8.230 nan 0.000 0.470 370 G N 0.763 109.524 108.800 -0.065 0.000 2.566 370 G HA2 0.345 4.304 3.960 -0.001 0.000 0.280 370 G HA3 0.345 4.304 3.960 -0.001 0.000 0.280 370 G C 1.227 176.086 174.900 -0.068 0.000 1.225 370 G CA 2.253 47.325 45.100 -0.047 0.000 0.966 370 G HN 3.319 nan 8.290 nan 0.000 0.560 371 G N -2.276 106.489 108.800 -0.060 0.000 2.184 371 G HA2 0.484 4.443 3.960 -0.001 0.000 0.206 371 G HA3 0.484 4.443 3.960 -0.001 0.000 0.206 371 G C 1.375 176.271 174.900 -0.005 0.000 0.995 371 G CA 0.898 45.966 45.100 -0.053 0.000 0.651 371 G HN 2.636 nan 8.290 nan 0.000 0.511 372 G N -0.980 107.824 108.800 0.006 0.000 2.749 372 G HA2 0.641 4.600 3.960 -0.001 0.000 0.300 372 G HA3 0.641 4.600 3.960 -0.001 0.000 0.300 372 G C -0.443 174.486 174.900 0.047 0.000 1.352 372 G CA -0.706 44.403 45.100 0.015 0.000 0.789 372 G HN 0.635 nan 8.290 nan 0.000 0.509 373 I N 1.354 121.969 120.570 0.076 0.000 2.710 373 I HA 0.211 4.380 4.170 -0.001 0.000 0.286 373 I C 1.540 177.753 176.117 0.159 0.000 1.181 373 I CA 0.165 61.574 61.300 0.182 0.000 1.430 373 I CB 1.609 39.760 38.000 0.252 0.000 1.367 373 I HN 0.574 nan 8.210 nan 0.000 0.577 374 A N 5.303 128.248 122.820 0.208 0.000 2.195 374 A HA 0.628 4.947 4.320 -0.001 0.000 0.210 374 A C 0.790 178.403 177.584 0.048 0.000 1.165 374 A CA 0.762 52.873 52.037 0.123 0.000 0.806 374 A CB 0.083 19.172 19.000 0.148 0.000 0.847 374 A HN 0.817 nan 8.150 nan 0.000 0.482 375 A N -1.126 121.755 122.820 0.101 0.000 2.608 375 A HA 0.542 4.861 4.320 -0.001 0.000 0.292 375 A C -0.853 176.771 177.584 0.068 0.000 1.066 375 A CA -0.271 51.770 52.037 0.005 0.000 0.676 375 A CB 0.313 19.206 19.000 -0.177 0.000 1.277 375 A HN -0.051 nan 8.150 nan 0.000 0.413 376 D N -0.122 120.287 120.400 0.015 0.000 2.348 376 D HA 0.090 4.730 4.640 -0.001 0.000 0.211 376 D C 0.545 176.839 176.300 -0.010 0.000 0.998 376 D CA 0.931 54.944 54.000 0.020 0.000 0.873 376 D CB 0.340 41.142 40.800 0.005 0.000 0.925 376 D HN 0.455 nan 8.370 nan 0.000 0.524 377 R N -0.216 120.274 120.500 -0.018 0.000 2.561 377 R HA 0.500 4.840 4.340 -0.001 0.000 0.297 377 R C 0.037 176.330 176.300 -0.012 0.000 0.969 377 R CA -0.100 55.965 56.100 -0.059 0.000 0.879 377 R CB 1.562 31.831 30.300 -0.052 0.000 1.178 377 R HN 0.082 nan 8.270 nan 0.000 0.445 378 G N 2.140 110.772 108.800 -0.280 0.000 2.610 378 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.304 378 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.304 378 G C -1.209 173.177 174.900 -0.857 0.000 1.309 378 G CA -0.491 44.296 45.100 -0.523 0.000 0.906 378 G HN 0.585 nan 8.290 nan 0.000 0.521 379 Y N -0.040 119.902 120.300 -0.595 0.000 2.602 379 Y HA 0.548 5.098 4.550 -0.001 0.000 0.373 379 Y C 0.359 176.079 175.900 -0.301 0.000 0.960 379 Y CA -0.758 56.882 58.100 -0.767 0.000 1.281 379 Y CB 0.277 38.376 38.460 -0.603 0.000 1.308 379 Y HN 0.337 nan 8.280 nan 0.000 0.595 380 F N 1.744 121.760 119.950 0.110 0.000 2.404 380 F HA 0.490 5.016 4.527 -0.001 0.000 0.345 380 F C 0.165 176.162 175.800 0.328 0.000 1.110 380 F CA -0.733 57.380 58.000 0.189 0.000 1.130 380 F CB 0.762 39.803 39.000 0.069 0.000 1.129 380 F HN 0.038 nan 8.300 nan 0.000 0.500 381 I N 2.873 123.683 120.570 0.401 0.000 2.465 381 I HA 0.233 4.402 4.170 -0.001 0.000 0.291 381 I C -0.477 175.755 176.117 0.192 0.000 1.014 381 I CA -0.979 60.476 61.300 0.259 0.000 1.093 381 I CB 1.877 39.977 38.000 0.165 0.000 1.267 381 I HN 0.530 nan 8.210 nan 0.000 0.431 382 Q N 6.134 126.015 119.800 0.135 0.000 2.361 382 Q HA 0.137 4.476 4.340 -0.001 0.000 0.276 382 Q C -2.291 173.773 176.000 0.107 0.000 1.022 382 Q CA -1.467 54.392 55.803 0.092 0.000 0.898 382 Q CB 0.051 28.818 28.738 0.048 0.000 1.246 382 Q HN 0.256 nan 8.270 nan 0.000 0.410 383 P HA -0.021 nan 4.420 nan 0.000 0.265 383 P C -1.141 176.260 177.300 0.169 0.000 1.222 383 P CA 0.483 63.692 63.100 0.183 0.000 0.767 383 P CB 0.585 32.199 31.700 -0.144 0.000 0.801 384 T N 3.048 117.745 114.554 0.237 0.000 2.823 384 T HA 0.461 4.810 4.350 -0.001 0.000 0.279 384 T C -0.279 174.451 174.700 0.050 0.000 0.998 384 T CA -0.447 61.676 62.100 0.039 0.000 0.994 384 T CB 1.039 69.865 68.868 -0.069 0.000 0.960 384 T HN -0.063 nan 8.240 nan 0.000 0.448 385 V N 3.765 123.632 119.914 -0.079 0.000 2.483 385 V HA 0.500 4.620 4.120 -0.001 0.000 0.297 385 V C -1.008 174.989 176.094 -0.161 0.000 1.027 385 V CA -0.878 61.410 62.300 -0.021 0.000 0.855 385 V CB 1.206 33.069 31.823 0.067 0.000 0.995 385 V HN 0.836 nan 8.190 nan 0.000 0.424 386 F N 2.582 122.561 119.950 0.048 0.000 2.427 386 F HA 0.749 5.276 4.527 -0.001 0.000 0.346 386 F C 0.944 176.778 175.800 0.057 0.000 1.120 386 F CA -0.238 57.789 58.000 0.044 0.000 1.033 386 F CB 1.984 40.999 39.000 0.025 0.000 1.126 386 F HN 0.589 nan 8.300 nan 0.000 0.462 387 G N 0.872 109.836 108.800 0.273 0.000 2.509 387 G HA2 0.343 4.303 3.960 -0.001 0.000 0.328 387 G HA3 0.343 4.303 3.960 -0.001 0.000 0.328 387 G C -0.612 174.436 174.900 0.246 0.000 1.194 387 G CA -0.662 44.586 45.100 0.246 0.000 0.967 387 G HN 0.724 nan 8.290 nan 0.000 0.488 388 D N -1.032 119.536 120.400 0.281 0.000 2.689 388 D HA -0.163 4.476 4.640 -0.001 0.000 0.237 388 D C 0.452 176.806 176.300 0.090 0.000 1.148 388 D CA 0.613 54.702 54.000 0.149 0.000 0.656 388 D CB -1.113 39.752 40.800 0.108 0.000 1.050 388 D HN 0.178 nan 8.370 nan 0.000 0.426 389 V N 0.965 120.928 119.914 0.083 0.000 2.614 389 V HA 0.064 4.183 4.120 -0.001 0.000 0.291 389 V C 0.816 176.911 176.094 0.002 0.000 1.049 389 V CA 0.021 62.331 62.300 0.016 0.000 1.038 389 V CB 1.772 33.585 31.823 -0.017 0.000 0.980 389 V HN 0.064 nan 8.190 nan 0.000 0.481 390 Q N 2.139 121.936 119.800 -0.006 0.000 2.266 390 Q HA 0.319 4.659 4.340 -0.001 0.000 0.261 390 Q C 0.493 176.501 176.000 0.014 0.000 0.985 390 Q CA -0.725 55.087 55.803 0.015 0.000 0.873 390 Q CB 1.576 30.323 28.738 0.015 0.000 1.306 390 Q HN 0.667 nan 8.270 nan 0.000 0.447 391 D N 1.599 122.030 120.400 0.051 0.000 2.203 391 D HA -0.158 4.482 4.640 -0.001 0.000 0.199 391 D C 1.466 177.789 176.300 0.038 0.000 0.997 391 D CA 1.771 55.810 54.000 0.066 0.000 0.863 391 D CB -0.023 40.840 40.800 0.106 0.000 0.928 391 D HN 0.832 nan 8.370 nan 0.000 0.458 392 G N -0.180 108.636 108.800 0.026 0.000 2.572 392 G HA2 -0.036 3.924 3.960 -0.001 0.000 0.216 392 G HA3 -0.036 3.924 3.960 -0.001 0.000 0.216 392 G C 0.798 175.701 174.900 0.005 0.000 1.133 392 G CA -0.182 44.928 45.100 0.017 0.000 0.791 392 G HN 0.175 nan 8.290 nan 0.000 0.538 393 M N 0.885 120.479 119.600 -0.011 0.000 2.245 393 M HA 0.112 4.592 4.480 -0.001 0.000 0.344 393 M C 1.840 178.124 176.300 -0.027 0.000 1.170 393 M CA -0.064 55.217 55.300 -0.033 0.000 1.135 393 M CB 0.864 33.421 32.600 -0.072 0.000 1.574 393 M HN -0.063 nan 8.290 nan 0.000 0.452 394 T N 2.777 117.322 114.554 -0.015 0.000 2.665 394 T HA -0.147 4.203 4.350 -0.001 0.000 0.268 394 T C 1.524 176.212 174.700 -0.019 0.000 1.035 394 T CA 1.859 63.972 62.100 0.022 0.000 1.151 394 T CB -0.468 68.447 68.868 0.078 0.000 0.862 394 T HN 0.781 nan 8.240 nan 0.000 0.438 395 I N -0.352 120.168 120.570 -0.083 0.000 3.083 395 I HA 0.149 4.319 4.170 -0.001 0.000 0.273 395 I C 2.173 178.206 176.117 -0.140 0.000 1.297 395 I CA 0.891 62.094 61.300 -0.163 0.000 1.452 395 I CB -0.402 37.448 38.000 -0.250 0.000 1.078 395 I HN 0.097 nan 8.210 nan 0.000 0.484 396 A N 1.016 123.781 122.820 -0.091 0.000 2.252 396 A HA 0.209 4.528 4.320 -0.001 0.000 0.213 396 A C 2.127 179.705 177.584 -0.010 0.000 1.188 396 A CA 0.102 52.100 52.037 -0.064 0.000 0.863 396 A CB 0.007 18.976 19.000 -0.053 0.000 0.893 396 A HN 0.423 nan 8.150 nan 0.000 0.495 397 K N -0.277 120.127 120.400 0.006 0.000 2.387 397 K HA 0.169 4.488 4.320 -0.001 0.000 0.197 397 K C -0.220 176.448 176.600 0.112 0.000 1.127 397 K CA 0.218 56.545 56.287 0.067 0.000 0.950 397 K CB 0.646 33.181 32.500 0.058 0.000 1.017 397 K HN 0.405 nan 8.250 nan 0.000 0.519 398 E N 1.919 122.138 120.200 0.032 0.000 2.204 398 E HA 0.089 4.439 4.350 -0.001 0.000 0.276 398 E C -1.012 175.500 176.600 -0.146 0.000 0.974 398 E CA -0.381 56.035 56.400 0.028 0.000 0.815 398 E CB 1.762 31.502 29.700 0.066 0.000 1.119 398 E HN 0.069 nan 8.360 nan 0.000 0.393 399 E N 3.301 123.458 120.200 -0.072 0.000 2.292 399 E HA -0.028 4.321 4.350 -0.001 0.000 0.265 399 E C 0.328 176.815 176.600 -0.187 0.000 1.093 399 E CA 0.013 56.335 56.400 -0.131 0.000 0.922 399 E CB 0.316 29.939 29.700 -0.128 0.000 1.001 399 E HN 0.533 nan 8.360 nan 0.000 0.444 400 I N 4.435 124.854 120.570 -0.251 0.000 2.400 400 I HA -0.097 4.072 4.170 -0.001 0.000 0.248 400 I C 0.611 176.824 176.117 0.160 0.000 1.109 400 I CA 0.151 61.290 61.300 -0.269 0.000 1.425 400 I CB 0.023 37.859 38.000 -0.273 0.000 1.094 400 I HN 0.686 nan 8.210 nan 0.000 0.425 401 F N 1.440 121.350 119.950 -0.067 0.000 3.080 401 F HA -0.177 4.349 4.527 -0.001 0.000 0.292 401 F C 0.422 176.243 175.800 0.035 0.000 0.891 401 F CA 0.619 58.622 58.000 0.004 0.000 1.086 401 F CB -1.380 37.669 39.000 0.082 0.000 1.095 401 F HN 0.154 nan 8.300 nan 0.000 0.633 402 G N -0.635 108.173 108.800 0.014 0.000 2.727 402 G HA2 0.647 4.606 3.960 -0.001 0.000 0.289 402 G HA3 0.647 4.606 3.960 -0.001 0.000 0.289 402 G C -2.951 171.895 174.900 -0.091 0.000 1.418 402 G CA -0.731 44.368 45.100 -0.002 0.000 0.818 402 G HN -0.138 nan 8.290 nan 0.000 0.486 403 P HA 0.249 nan 4.420 nan 0.000 0.226 403 P C -0.610 176.656 177.300 -0.057 0.000 1.783 403 P CA -0.025 63.053 63.100 -0.036 0.000 0.980 403 P CB 0.150 32.004 31.700 0.257 0.000 1.967 404 V N 3.043 122.845 119.914 -0.187 0.000 2.409 404 V HA 0.354 4.473 4.120 -0.001 0.000 0.290 404 V C 0.280 176.270 176.094 -0.172 0.000 1.017 404 V CA -0.669 61.591 62.300 -0.066 0.000 0.841 404 V CB 1.982 33.857 31.823 0.087 0.000 1.003 404 V HN 0.302 nan 8.190 nan 0.000 0.426 405 M N 4.116 123.622 119.600 -0.157 0.000 2.264 405 M HA 0.600 5.079 4.480 -0.001 0.000 0.352 405 M C -0.875 175.455 176.300 0.049 0.000 1.173 405 M CA -0.334 54.881 55.300 -0.143 0.000 1.075 405 M CB 1.501 34.023 32.600 -0.130 0.000 1.621 405 M HN 0.629 nan 8.290 nan 0.000 0.457 406 Q N 5.094 124.895 119.800 0.001 0.000 2.333 406 Q HA 0.578 4.917 4.340 -0.001 0.000 0.265 406 Q C -1.281 174.714 176.000 -0.009 0.000 0.989 406 Q CA 0.026 55.846 55.803 0.030 0.000 0.842 406 Q CB 1.837 30.543 28.738 -0.054 0.000 1.262 406 Q HN 0.707 nan 8.270 nan 0.000 0.451 407 I N 4.232 124.837 120.570 0.059 0.000 2.355 407 I HA 0.373 4.542 4.170 -0.001 0.000 0.288 407 I C -1.012 175.178 176.117 0.122 0.000 0.999 407 I CA -0.899 60.440 61.300 0.065 0.000 1.163 407 I CB 0.825 38.886 38.000 0.102 0.000 1.316 407 I HN 0.335 nan 8.210 nan 0.000 0.454 408 L N 6.577 127.811 121.223 0.018 0.000 2.334 408 L HA 0.530 4.869 4.340 -0.001 0.000 0.273 408 L C -0.054 176.965 176.870 0.248 0.000 1.013 408 L CA -0.489 54.379 54.840 0.047 0.000 0.816 408 L CB 1.320 43.233 42.059 -0.244 0.000 1.278 408 L HN 0.452 nan 8.230 nan 0.000 0.431 409 K N 2.105 122.604 120.400 0.165 0.000 2.110 409 K HA 0.710 5.030 4.320 -0.001 0.000 0.263 409 K C -1.353 175.397 176.600 0.249 0.000 0.975 409 K CA -0.464 55.866 56.287 0.072 0.000 0.895 409 K CB 1.171 33.413 32.500 -0.431 0.000 1.060 409 K HN 0.555 nan 8.250 nan 0.000 0.448 410 F N 0.909 120.920 119.950 0.102 0.000 2.662 410 F HA 0.438 4.964 4.527 -0.001 0.000 0.312 410 F C 0.077 175.902 175.800 0.042 0.000 1.113 410 F CA -0.944 57.108 58.000 0.087 0.000 0.951 410 F CB 1.564 40.633 39.000 0.115 0.000 1.344 410 F HN 0.534 nan 8.300 nan 0.000 0.462 411 K N 0.143 120.632 120.400 0.148 0.000 2.274 411 K HA 0.231 4.551 4.320 -0.001 0.000 0.219 411 K C 0.308 176.993 176.600 0.143 0.000 1.058 411 K CA 0.967 57.263 56.287 0.014 0.000 0.920 411 K CB 0.140 32.659 32.500 0.032 0.000 1.124 411 K HN 0.903 nan 8.250 nan 0.000 0.464 412 T N -1.712 112.994 114.554 0.253 0.000 2.944 412 T HA 0.242 4.591 4.350 -0.001 0.000 0.284 412 T C 1.225 176.085 174.700 0.267 0.000 1.010 412 T CA -0.781 61.447 62.100 0.212 0.000 1.025 412 T CB 1.358 70.284 68.868 0.098 0.000 1.079 412 T HN 0.240 nan 8.240 nan 0.000 0.516 413 I N 0.298 120.967 120.570 0.165 0.000 2.394 413 I HA -0.078 4.092 4.170 -0.001 0.000 0.251 413 I C 2.068 178.229 176.117 0.075 0.000 1.136 413 I CA 1.356 62.717 61.300 0.101 0.000 1.425 413 I CB -0.028 37.999 38.000 0.045 0.000 1.079 413 I HN 0.749 nan 8.210 nan 0.000 0.425 414 E N 0.585 120.825 120.200 0.068 0.000 2.107 414 E HA -0.255 4.095 4.350 -0.001 0.000 0.191 414 E C 1.929 178.538 176.600 0.015 0.000 0.982 414 E CA 1.139 57.589 56.400 0.083 0.000 0.809 414 E CB -0.183 29.554 29.700 0.061 0.000 0.756 414 E HN 0.513 nan 8.360 nan 0.000 0.459 415 E N 0.554 120.759 120.200 0.008 0.000 2.031 415 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 415 E C 2.099 178.605 176.600 -0.157 0.000 0.994 415 E CA 1.247 57.634 56.400 -0.022 0.000 0.800 415 E CB -0.087 29.650 29.700 0.060 0.000 0.752 415 E HN 0.163 nan 8.360 nan 0.000 0.447 416 V N 0.495 120.223 119.914 -0.310 0.000 2.490 416 V HA -0.194 3.926 4.120 -0.001 0.000 0.250 416 V C 2.313 178.079 176.094 -0.545 0.000 1.061 416 V CA 1.400 63.275 62.300 -0.708 0.000 1.064 416 V CB 0.008 31.029 31.823 -1.338 0.000 0.670 416 V HN 0.234 nan 8.190 nan 0.000 0.461 417 V N 0.598 120.335 119.914 -0.295 0.000 2.295 417 V HA -0.163 3.956 4.120 -0.001 0.000 0.246 417 V C 2.667 178.644 176.094 -0.194 0.000 1.049 417 V CA 2.265 64.436 62.300 -0.214 0.000 1.024 417 V CB -1.346 30.409 31.823 -0.113 0.000 0.648 417 V HN 0.632 nan 8.190 nan 0.000 0.447 418 G N -0.421 108.292 108.800 -0.146 0.000 2.418 418 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.217 418 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.217 418 G C 1.735 176.569 174.900 -0.110 0.000 1.158 418 G CA 0.692 45.730 45.100 -0.102 0.000 0.771 418 G HN 0.454 nan 8.290 nan 0.000 0.545 419 R N 0.399 120.795 120.500 -0.174 0.000 2.090 419 R HA 0.141 4.481 4.340 -0.001 0.000 0.228 419 R C 2.976 179.195 176.300 -0.134 0.000 1.110 419 R CA 0.962 56.980 56.100 -0.136 0.000 0.973 419 R CB -0.276 29.915 30.300 -0.183 0.000 0.869 419 R HN 0.345 nan 8.270 nan 0.000 0.440 420 A N 1.539 124.163 122.820 -0.326 0.000 1.930 420 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 420 A C 1.607 179.161 177.584 -0.050 0.000 1.175 420 A CA 1.231 53.163 52.037 -0.176 0.000 0.627 420 A CB -0.238 18.593 19.000 -0.282 0.000 0.815 420 A HN 0.205 nan 8.150 nan 0.000 0.443 421 N N 0.329 118.977 118.700 -0.087 0.000 2.463 421 N HA -0.057 4.683 4.740 -0.001 0.000 0.181 421 N C 0.281 175.781 175.510 -0.017 0.000 1.078 421 N CA 0.326 53.344 53.050 -0.055 0.000 0.902 421 N CB -0.431 38.009 38.487 -0.078 0.000 0.970 421 N HN 0.394 nan 8.380 nan 0.000 0.451 422 N N 1.063 119.760 118.700 -0.005 0.000 2.819 422 N HA 0.039 4.778 4.740 -0.001 0.000 0.284 422 N C -1.298 174.236 175.510 0.040 0.000 1.196 422 N CA 0.126 53.184 53.050 0.014 0.000 1.114 422 N CB -0.220 38.278 38.487 0.018 0.000 1.437 422 N HN -0.094 nan 8.380 nan 0.000 0.518 423 S N -0.156 115.565 115.700 0.034 0.000 2.552 423 S HA 0.245 4.714 4.470 -0.001 0.000 0.272 423 S C 0.880 175.482 174.600 0.003 0.000 1.150 423 S CA -0.370 57.859 58.200 0.049 0.000 0.849 423 S CB 0.315 63.588 63.200 0.121 0.000 1.113 423 S HN 0.430 nan 8.310 nan 0.000 0.458 424 T N 0.541 115.046 114.554 -0.081 0.000 3.088 424 T HA 0.248 4.598 4.350 -0.001 0.000 0.259 424 T C 0.549 175.141 174.700 -0.180 0.000 1.122 424 T CA 0.568 62.564 62.100 -0.174 0.000 1.095 424 T CB -0.474 68.214 68.868 -0.301 0.000 0.930 424 T HN 0.533 nan 8.240 nan 0.000 0.508 425 Y N 0.472 120.790 120.300 0.029 0.000 2.392 425 Y HA 0.578 5.127 4.550 -0.001 0.000 0.323 425 Y C 1.341 177.255 175.900 0.022 0.000 1.291 425 Y CA -0.662 57.458 58.100 0.033 0.000 1.345 425 Y CB 1.616 40.102 38.460 0.042 0.000 1.320 425 Y HN 0.122 nan 8.280 nan 0.000 0.518 426 G N 0.853 109.779 108.800 0.210 0.000 5.362 426 G HA2 0.049 4.008 3.960 -0.001 0.000 0.208 426 G HA3 0.049 4.008 3.960 -0.001 0.000 0.208 426 G C -0.133 174.759 174.900 -0.013 0.000 1.166 426 G CA -0.307 44.829 45.100 0.060 0.000 0.659 426 G HN 0.533 nan 8.290 nan 0.000 0.249 427 L N 0.655 121.879 121.223 0.003 0.000 2.023 427 L HA 0.715 5.055 4.340 -0.001 0.000 0.205 427 L C 1.183 177.913 176.870 -0.233 0.000 1.073 427 L CA 2.479 57.261 54.840 -0.097 0.000 0.745 427 L CB -0.105 41.956 42.059 0.004 0.000 0.900 427 L HN 0.534 nan 8.230 nan 0.000 0.435 428 A N -2.327 120.409 122.820 -0.140 0.000 2.568 428 A HA 0.900 5.220 4.320 -0.001 0.000 0.291 428 A C -1.441 176.081 177.584 -0.103 0.000 1.159 428 A CA -0.112 51.775 52.037 -0.250 0.000 0.679 428 A CB 0.833 19.691 19.000 -0.236 0.000 1.285 428 A HN 0.536 nan 8.150 nan 0.000 0.428 429 A N -1.364 121.378 122.820 -0.130 0.000 2.586 429 A HA 0.989 5.309 4.320 -0.001 0.000 0.291 429 A C -0.723 176.958 177.584 0.162 0.000 1.062 429 A CA 0.100 52.175 52.037 0.065 0.000 0.666 429 A CB 0.587 19.562 19.000 -0.042 0.000 1.281 429 A HN 2.666 nan 8.150 nan 0.000 0.421 430 A N -0.272 122.752 122.820 0.340 0.000 2.572 430 A HA 0.796 5.116 4.320 -0.001 0.000 0.295 430 A C -1.472 176.329 177.584 0.362 0.000 1.072 430 A CA -0.484 51.817 52.037 0.440 0.000 0.691 430 A CB 1.604 21.122 19.000 0.865 0.000 1.291 430 A HN 1.792 nan 8.150 nan 0.000 0.404 431 V N 1.053 121.127 119.914 0.268 0.000 2.577 431 V HA 0.567 4.687 4.120 -0.001 0.000 0.303 431 V C -1.559 174.619 176.094 0.139 0.000 1.042 431 V CA -0.281 62.158 62.300 0.232 0.000 0.872 431 V CB 1.451 33.340 31.823 0.111 0.000 0.998 431 V HN 0.710 nan 8.190 nan 0.000 0.423 432 F N 2.692 122.761 119.950 0.199 0.000 2.403 432 F HA 0.773 5.299 4.527 -0.001 0.000 0.355 432 F C 0.329 176.243 175.800 0.190 0.000 1.119 432 F CA -0.219 57.912 58.000 0.219 0.000 1.007 432 F CB 2.026 41.168 39.000 0.237 0.000 1.194 432 F HN 0.537 nan 8.300 nan 0.000 0.443 433 T N 2.014 116.703 114.554 0.225 0.000 2.827 433 T HA 0.279 4.628 4.350 -0.001 0.000 0.328 433 T C 0.086 174.860 174.700 0.124 0.000 1.598 433 T CA -0.690 61.518 62.100 0.181 0.000 1.043 433 T CB 1.426 70.385 68.868 0.151 0.000 1.447 433 T HN 0.634 nan 8.240 nan 0.000 0.491 434 K N 0.796 121.261 120.400 0.108 0.000 2.361 434 K HA 0.177 4.497 4.320 -0.001 0.000 0.194 434 K C -0.202 176.431 176.600 0.055 0.000 1.032 434 K CA -0.080 56.251 56.287 0.073 0.000 1.048 434 K CB 0.238 32.779 32.500 0.069 0.000 0.842 434 K HN 0.474 nan 8.250 nan 0.000 0.526 435 D N 1.045 121.483 120.400 0.062 0.000 2.317 435 D HA 0.018 4.657 4.640 -0.001 0.000 0.252 435 D C 0.822 177.149 176.300 0.046 0.000 1.174 435 D CA -0.254 53.776 54.000 0.049 0.000 0.866 435 D CB 1.075 41.905 40.800 0.050 0.000 1.127 435 D HN -0.167 nan 8.370 nan 0.000 0.467 436 L N 4.169 125.413 121.223 0.035 0.000 1.989 436 L HA -0.150 4.189 4.340 -0.001 0.000 0.211 436 L C 1.294 178.189 176.870 0.042 0.000 1.071 436 L CA 1.968 56.828 54.840 0.033 0.000 0.749 436 L CB -0.469 41.605 42.059 0.024 0.000 0.890 436 L HN 0.499 nan 8.230 nan 0.000 0.431 437 D N -0.340 120.083 120.400 0.039 0.000 2.123 437 D HA -0.186 4.453 4.640 -0.001 0.000 0.196 437 D C 2.201 178.547 176.300 0.077 0.000 0.992 437 D CA 1.429 55.457 54.000 0.047 0.000 0.833 437 D CB -0.087 40.725 40.800 0.020 0.000 0.954 437 D HN 0.409 nan 8.370 nan 0.000 0.455 438 K N 0.552 120.991 120.400 0.065 0.000 2.057 438 K HA -0.038 4.281 4.320 -0.001 0.000 0.207 438 K C 2.168 178.851 176.600 0.140 0.000 1.049 438 K CA 1.134 57.481 56.287 0.100 0.000 0.931 438 K CB -0.114 32.435 32.500 0.082 0.000 0.714 438 K HN 0.028 nan 8.250 nan 0.000 0.440 439 A N 2.115 124.991 122.820 0.094 0.000 1.883 439 A HA -0.216 4.103 4.320 -0.001 0.000 0.217 439 A C 1.860 179.480 177.584 0.060 0.000 1.186 439 A CA 1.830 53.909 52.037 0.070 0.000 0.624 439 A CB -0.538 18.489 19.000 0.044 0.000 0.822 439 A HN 0.230 nan 8.150 nan 0.000 0.444 440 N N -1.705 117.035 118.700 0.067 0.000 2.188 440 N HA -0.132 4.608 4.740 -0.001 0.000 0.184 440 N C 1.552 177.104 175.510 0.070 0.000 1.018 440 N CA 1.547 54.628 53.050 0.052 0.000 0.858 440 N CB -0.571 37.946 38.487 0.049 0.000 0.989 440 N HN 0.687 nan 8.380 nan 0.000 0.426 441 Y N 1.466 121.758 120.300 -0.013 0.000 2.114 441 Y HA -0.068 4.482 4.550 -0.001 0.000 0.284 441 Y C 2.167 178.048 175.900 -0.033 0.000 1.143 441 Y CA 1.395 59.484 58.100 -0.018 0.000 1.135 441 Y CB -0.451 38.002 38.460 -0.011 0.000 0.980 441 Y HN -0.053 nan 8.280 nan 0.000 0.499 442 L N -0.186 121.070 121.223 0.055 0.000 2.027 442 L HA -0.218 4.121 4.340 -0.001 0.000 0.206 442 L C 2.810 179.601 176.870 -0.131 0.000 1.074 442 L CA 1.660 56.459 54.840 -0.070 0.000 0.745 442 L CB -0.867 41.221 42.059 0.047 0.000 0.898 442 L HN 0.399 nan 8.230 nan 0.000 0.433 443 S N -0.838 114.814 115.700 -0.080 0.000 2.400 443 S HA -0.318 4.151 4.470 -0.001 0.000 0.232 443 S C 1.888 176.403 174.600 -0.142 0.000 1.025 443 S CA 1.607 59.742 58.200 -0.107 0.000 0.993 443 S CB -0.431 62.724 63.200 -0.075 0.000 0.808 443 S HN 0.545 nan 8.310 nan 0.000 0.478 444 Q N 1.107 120.819 119.800 -0.145 0.000 2.096 444 Q HA 0.126 4.466 4.340 -0.001 0.000 0.197 444 Q C 2.254 178.135 176.000 -0.198 0.000 0.964 444 Q CA 0.997 56.710 55.803 -0.149 0.000 0.838 444 Q CB -0.490 28.173 28.738 -0.124 0.000 0.906 444 Q HN 0.680 nan 8.270 nan 0.000 0.444 445 A N 0.986 123.628 122.820 -0.295 0.000 1.929 445 A HA 0.058 4.377 4.320 -0.001 0.000 0.216 445 A C 1.013 178.452 177.584 -0.242 0.000 1.176 445 A CA 0.249 52.094 52.037 -0.320 0.000 0.628 445 A CB -0.495 18.189 19.000 -0.527 0.000 0.816 445 A HN 0.389 nan 8.150 nan 0.000 0.444 446 L N 1.085 122.165 121.223 -0.237 0.000 2.513 446 L HA 0.009 4.349 4.340 -0.001 0.000 0.272 446 L C 0.083 176.775 176.870 -0.297 0.000 1.187 446 L CA -0.073 54.628 54.840 -0.231 0.000 0.895 446 L CB 0.299 42.234 42.059 -0.207 0.000 1.147 446 L HN 0.428 nan 8.230 nan 0.000 0.483 447 Q N 3.910 123.540 119.800 -0.283 0.000 2.844 447 Q HA 0.499 4.838 4.340 -0.001 0.000 0.235 447 Q C -0.337 175.273 176.000 -0.650 0.000 1.336 447 Q CA -0.267 55.298 55.803 -0.396 0.000 1.026 447 Q CB 0.680 29.345 28.738 -0.121 0.000 1.513 447 Q HN 0.692 nan 8.270 nan 0.000 0.577 448 A N -0.132 122.086 122.820 -1.004 0.000 2.549 448 A HA 0.652 4.971 4.320 -0.001 0.000 0.297 448 A C 0.849 177.883 177.584 -0.916 0.000 1.061 448 A CA -0.429 51.119 52.037 -0.815 0.000 0.690 448 A CB 1.202 19.945 19.000 -0.430 0.000 1.287 448 A HN 0.543 nan 8.150 nan 0.000 0.402 449 G N 0.164 108.663 108.800 -0.501 0.000 2.432 449 G HA2 0.258 4.218 3.960 -0.001 0.000 0.219 449 G HA3 0.258 4.218 3.960 -0.001 0.000 0.219 449 G C 0.518 175.173 174.900 -0.409 0.000 1.135 449 G CA 1.729 46.675 45.100 -0.257 0.000 0.767 449 G HN 0.873 nan 8.290 nan 0.000 0.550 450 T N -0.343 113.874 114.554 -0.560 0.000 2.928 450 T HA 0.493 4.842 4.350 -0.001 0.000 0.296 450 T C -1.138 173.085 174.700 -0.795 0.000 1.000 450 T CA -0.416 61.253 62.100 -0.719 0.000 0.989 450 T CB 2.676 70.966 68.868 -0.963 0.000 1.005 450 T HN -0.093 nan 8.240 nan 0.000 0.442 451 V N 4.009 123.537 119.914 -0.644 0.000 2.350 451 V HA 0.438 4.557 4.120 -0.001 0.000 0.285 451 V C -0.642 175.220 176.094 -0.387 0.000 1.014 451 V CA -0.998 61.035 62.300 -0.445 0.000 0.831 451 V CB 1.143 32.806 31.823 -0.267 0.000 1.000 451 V HN 0.760 nan 8.190 nan 0.000 0.433 452 W N 3.576 124.782 121.300 -0.157 0.000 2.376 452 W HA 0.633 5.292 4.660 -0.001 0.000 0.322 452 W C -0.530 175.917 176.519 -0.121 0.000 1.160 452 W CA -0.684 56.572 57.345 -0.148 0.000 1.218 452 W CB 1.868 31.213 29.460 -0.191 0.000 1.205 452 W HN 0.259 nan 8.180 nan 0.000 0.559 453 V N 4.583 124.547 119.914 0.083 0.000 2.407 453 V HA 0.134 4.253 4.120 -0.001 0.000 0.291 453 V C 0.110 176.094 176.094 -0.183 0.000 1.018 453 V CA -0.973 61.289 62.300 -0.063 0.000 0.842 453 V CB 1.075 32.882 31.823 -0.026 0.000 0.996 453 V HN 0.670 nan 8.190 nan 0.000 0.426 454 N N 2.180 120.531 118.700 -0.583 0.000 2.747 454 N HA -0.173 4.567 4.740 -0.001 0.000 0.249 454 N C -0.297 175.118 175.510 -0.158 0.000 1.107 454 N CA 1.250 53.915 53.050 -0.641 0.000 0.707 454 N CB -1.099 37.330 38.487 -0.097 0.000 1.054 454 N HN 1.110 nan 8.380 nan 0.000 0.555 455 C N -4.259 114.872 119.300 -0.282 0.000 3.233 455 C HA 0.797 5.256 4.460 -0.001 0.000 0.358 455 C C -1.262 173.827 174.990 0.165 0.000 1.461 455 C CA -1.320 57.785 59.018 0.144 0.000 1.180 455 C CB 1.662 29.474 27.740 0.120 0.000 1.604 455 C HN 0.308 nan 8.230 nan 0.000 0.437 456 Y N -0.162 119.969 120.300 -0.281 0.000 2.620 456 Y HA 0.456 5.005 4.550 -0.001 0.000 0.331 456 Y C -0.497 174.775 175.900 -1.047 0.000 1.173 456 Y CA 0.491 58.159 58.100 -0.720 0.000 1.076 456 Y CB 1.245 39.629 38.460 -0.126 0.000 1.336 456 Y HN 1.046 nan 8.280 nan 0.000 0.459 457 D N 1.806 120.993 120.400 -2.021 0.000 2.772 457 D HA -0.133 4.506 4.640 -0.001 0.000 0.233 457 D C -0.984 175.002 176.300 -0.523 0.000 1.143 457 D CA 1.023 54.482 54.000 -0.902 0.000 0.700 457 D CB -1.018 39.797 40.800 0.024 0.000 1.076 457 D HN 0.167 nan 8.370 nan 0.000 0.430 458 V N 1.542 120.936 119.914 -0.865 0.000 2.304 458 V HA 0.290 4.410 4.120 -0.001 0.000 0.262 458 V C 0.471 176.587 176.094 0.036 0.000 1.061 458 V CA -0.334 61.854 62.300 -0.187 0.000 0.872 458 V CB -0.122 31.635 31.823 -0.111 0.000 1.077 458 V HN -0.019 nan 8.190 nan 0.000 0.480 459 F N 2.308 122.334 119.950 0.127 0.000 2.422 459 F HA 0.804 5.330 4.527 -0.001 0.000 0.333 459 F C 0.862 176.687 175.800 0.041 0.000 1.095 459 F CA -0.518 57.552 58.000 0.116 0.000 1.038 459 F CB 1.985 41.035 39.000 0.083 0.000 1.156 459 F HN 0.467 nan 8.300 nan 0.000 0.483 460 G N 0.217 109.113 108.800 0.160 0.000 2.701 460 G HA2 0.509 4.468 3.960 -0.001 0.000 0.300 460 G HA3 0.509 4.468 3.960 -0.001 0.000 0.300 460 G C 0.086 174.905 174.900 -0.136 0.000 1.410 460 G CA -0.392 44.716 45.100 0.013 0.000 1.014 460 G HN 0.878 nan 8.290 nan 0.000 0.509 461 A N 1.258 123.926 122.820 -0.253 0.000 2.131 461 A HA -0.061 4.259 4.320 -0.001 0.000 0.220 461 A C 2.054 179.017 177.584 -1.035 0.000 1.158 461 A CA 1.796 53.509 52.037 -0.540 0.000 0.665 461 A CB -0.071 18.633 19.000 -0.494 0.000 0.795 461 A HN 0.584 nan 8.150 nan 0.000 0.460 462 Q N -0.326 119.035 119.800 -0.732 0.000 2.354 462 Q HA 0.180 4.519 4.340 -0.001 0.000 0.203 462 Q C 0.376 176.304 176.000 -0.119 0.000 0.933 462 Q CA 0.595 56.108 55.803 -0.483 0.000 0.901 462 Q CB 0.201 28.829 28.738 -0.182 0.000 1.007 462 Q HN 0.436 nan 8.270 nan 0.000 0.495 463 S N 1.704 117.342 115.700 -0.103 0.000 2.462 463 S HA 0.441 4.911 4.470 -0.001 0.000 0.294 463 S C -2.506 172.083 174.600 -0.018 0.000 1.144 463 S CA -1.434 56.756 58.200 -0.017 0.000 1.088 463 S CB 1.202 64.393 63.200 -0.015 0.000 1.009 463 S HN -0.056 nan 8.310 nan 0.000 0.484 464 P HA 0.294 nan 4.420 nan 0.000 0.269 464 P C -1.023 176.269 177.300 -0.014 0.000 1.215 464 P CA -0.167 62.899 63.100 -0.056 0.000 0.780 464 P CB 0.283 31.791 31.700 -0.320 0.000 0.898 465 F N 1.428 121.288 119.950 -0.149 0.000 2.574 465 F HA 0.700 5.226 4.527 -0.001 0.000 0.313 465 F C -0.211 175.566 175.800 -0.038 0.000 1.130 465 F CA 0.191 58.133 58.000 -0.095 0.000 0.936 465 F CB 1.827 40.811 39.000 -0.027 0.000 1.219 465 F HN 0.564 nan 8.300 nan 0.000 0.445 466 G N 2.290 110.717 108.800 -0.621 0.000 2.356 466 G HA2 0.489 4.449 3.960 -0.001 0.000 0.294 466 G HA3 0.489 4.449 3.960 -0.001 0.000 0.294 466 G C -1.616 173.072 174.900 -0.354 0.000 1.423 466 G CA -0.206 44.685 45.100 -0.350 0.000 0.806 466 G HN 1.008 nan 8.290 nan 0.000 0.527 467 G N -1.522 107.191 108.800 -0.146 0.000 2.471 467 G HA2 0.626 4.586 3.960 -0.001 0.000 0.332 467 G HA3 0.626 4.586 3.960 -0.001 0.000 0.332 467 G C -1.396 173.563 174.900 0.099 0.000 1.176 467 G CA -0.572 44.510 45.100 -0.031 0.000 0.949 467 G HN 0.437 nan 8.290 nan 0.000 0.488 468 Y N 0.255 120.496 120.300 -0.099 0.000 2.519 468 Y HA 0.428 4.978 4.550 -0.001 0.000 0.324 468 Y C 1.448 177.326 175.900 -0.037 0.000 1.214 468 Y CA -0.614 57.441 58.100 -0.075 0.000 1.260 468 Y CB 1.430 39.841 38.460 -0.081 0.000 1.311 468 Y HN 0.854 nan 8.280 nan 0.000 0.505 469 K N -0.413 120.042 120.400 0.092 0.000 1.824 469 K HA -0.333 3.986 4.320 -0.001 0.000 0.120 469 K C 0.801 177.417 176.600 0.027 0.000 1.268 469 K CA 2.054 58.366 56.287 0.042 0.000 0.420 469 K CB -1.046 31.486 32.500 0.054 0.000 0.586 469 K HN 0.659 nan 8.250 nan 0.000 0.907 470 M N 0.933 120.541 119.600 0.013 0.000 2.563 470 M HA 0.021 4.501 4.480 -0.001 0.000 0.231 470 M C 0.948 177.318 176.300 0.117 0.000 1.136 470 M CA 0.613 55.918 55.300 0.008 0.000 1.026 470 M CB 0.181 32.718 32.600 -0.105 0.000 1.597 470 M HN 0.303 nan 8.290 nan 0.000 0.495 471 S N 0.560 116.366 115.700 0.176 0.000 2.603 471 S HA 0.314 4.784 4.470 -0.001 0.000 0.220 471 S C 0.873 175.554 174.600 0.135 0.000 0.967 471 S CA 0.427 58.761 58.200 0.224 0.000 0.920 471 S CB 0.098 63.414 63.200 0.194 0.000 0.773 471 S HN 0.760 nan 8.310 nan 0.000 0.529 472 G N 0.774 109.632 108.800 0.097 0.000 2.334 472 G HA2 0.249 4.208 3.960 -0.001 0.000 0.315 472 G HA3 0.249 4.208 3.960 -0.001 0.000 0.315 472 G C -1.078 173.837 174.900 0.025 0.000 1.284 472 G CA -0.436 44.709 45.100 0.075 0.000 0.985 472 G HN 0.758 nan 8.290 nan 0.000 0.504 473 S N -1.126 114.584 115.700 0.017 0.000 2.536 473 S HA 0.994 5.463 4.470 -0.001 0.000 0.271 473 S C 0.360 174.950 174.600 -0.017 0.000 1.134 473 S CA 0.599 58.786 58.200 -0.022 0.000 0.897 473 S CB 1.560 64.745 63.200 -0.026 0.000 1.094 473 S HN 3.080 nan 8.310 nan 0.000 0.473 474 G N 1.947 110.722 108.800 -0.042 0.000 2.756 474 G HA2 0.118 4.077 3.960 -0.001 0.000 0.678 474 G HA3 0.118 4.077 3.960 -0.001 0.000 0.678 474 G C -1.361 173.528 174.900 -0.018 0.000 1.349 474 G CA -0.980 44.104 45.100 -0.027 0.000 0.847 474 G HN 0.840 nan 8.290 nan 0.000 0.548 475 R N 0.221 120.726 120.500 0.007 0.000 2.795 475 R HA 0.641 4.981 4.340 -0.001 0.000 0.275 475 R C -0.216 176.131 176.300 0.078 0.000 0.981 475 R CA -0.735 55.373 56.100 0.013 0.000 0.917 475 R CB 1.877 32.147 30.300 -0.050 0.000 1.202 475 R HN 0.762 nan 8.270 nan 0.000 0.469 476 E N 1.577 121.830 120.200 0.089 0.000 2.263 476 E HA 0.591 4.941 4.350 -0.001 0.000 0.264 476 E C -0.334 176.269 176.600 0.006 0.000 0.923 476 E CA -0.909 55.539 56.400 0.079 0.000 0.802 476 E CB 1.957 31.713 29.700 0.093 0.000 1.228 476 E HN 0.326 nan 8.360 nan 0.000 0.417 477 L N -0.112 121.130 121.223 0.032 0.000 0.585 477 L HA -0.267 4.073 4.340 -0.001 0.000 0.356 477 L C 0.635 177.602 176.870 0.163 0.000 0.963 477 L CA 0.742 55.595 54.840 0.022 0.000 1.223 477 L CB -1.286 40.602 42.059 -0.285 0.000 0.011 477 L HN 1.014 nan 8.230 nan 0.000 0.091 478 G N 0.246 109.092 108.800 0.077 0.000 2.645 478 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.246 478 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.246 478 G C 0.397 175.501 174.900 0.341 0.000 1.322 478 G CA 0.953 46.208 45.100 0.258 0.000 0.898 478 G HN 1.136 nan 8.290 nan 0.000 0.573 479 E N -1.082 119.268 120.200 0.250 0.000 2.107 479 E HA -0.057 4.293 4.350 -0.001 0.000 0.191 479 E C 2.234 178.675 176.600 -0.264 0.000 0.982 479 E CA 1.460 57.711 56.400 -0.249 0.000 0.809 479 E CB -0.137 29.446 29.700 -0.196 0.000 0.756 479 E HN 0.616 nan 8.360 nan 0.000 0.459 480 Y N 0.006 120.286 120.300 -0.033 0.000 2.315 480 Y HA -0.105 4.444 4.550 -0.001 0.000 0.288 480 Y C 2.372 178.251 175.900 -0.035 0.000 1.154 480 Y CA 1.126 59.212 58.100 -0.024 0.000 1.229 480 Y CB -0.690 37.774 38.460 0.006 0.000 0.980 480 Y HN 0.162 nan 8.280 nan 0.000 0.540 481 G N -0.376 108.531 108.800 0.179 0.000 2.559 481 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.216 481 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.216 481 G C 1.396 176.313 174.900 0.029 0.000 1.126 481 G CA 0.657 45.854 45.100 0.161 0.000 0.778 481 G HN 0.420 nan 8.290 nan 0.000 0.543 482 L N -0.958 120.149 121.223 -0.193 0.000 2.416 482 L HA 0.117 4.457 4.340 -0.001 0.000 0.216 482 L C 2.827 179.533 176.870 -0.273 0.000 1.098 482 L CA 0.139 54.729 54.840 -0.417 0.000 0.840 482 L CB -0.245 41.107 42.059 -1.178 0.000 0.981 482 L HN 0.177 nan 8.230 nan 0.000 0.462 483 Q N 0.735 120.446 119.800 -0.148 0.000 2.077 483 Q HA -0.237 4.103 4.340 -0.001 0.000 0.206 483 Q C 2.375 178.338 176.000 -0.061 0.000 0.989 483 Q CA 2.122 57.910 55.803 -0.025 0.000 0.853 483 Q CB -0.299 28.449 28.738 0.017 0.000 0.907 483 Q HN 0.564 nan 8.270 nan 0.000 0.418 484 A N -0.546 122.205 122.820 -0.116 0.000 2.121 484 A HA -0.113 4.207 4.320 -0.001 0.000 0.218 484 A C 0.737 178.051 177.584 -0.449 0.000 1.154 484 A CA 0.828 52.695 52.037 -0.284 0.000 0.679 484 A CB -0.244 18.528 19.000 -0.380 0.000 0.795 484 A HN 0.431 nan 8.150 nan 0.000 0.458 485 Y N -0.207 120.048 120.300 -0.075 0.000 2.658 485 Y HA 0.262 4.812 4.550 -0.001 0.000 0.276 485 Y C 0.168 176.050 175.900 -0.029 0.000 1.167 485 Y CA -0.044 58.020 58.100 -0.061 0.000 1.230 485 Y CB 0.434 38.842 38.460 -0.087 0.000 1.144 485 Y HN 0.042 nan 8.280 nan 0.000 0.529 486 T N 0.158 114.738 114.554 0.043 0.000 2.886 486 T HA 0.336 4.686 4.350 -0.001 0.000 0.292 486 T C -1.094 173.602 174.700 -0.007 0.000 1.012 486 T CA -0.711 61.420 62.100 0.051 0.000 0.982 486 T CB 2.027 70.937 68.868 0.070 0.000 1.018 486 T HN -0.048 nan 8.240 nan 0.000 0.451 487 E N 2.374 122.588 120.200 0.023 0.000 2.129 487 E HA 0.497 4.846 4.350 -0.001 0.000 0.268 487 E C -0.921 175.687 176.600 0.014 0.000 0.900 487 E CA -0.575 55.831 56.400 0.011 0.000 0.755 487 E CB 0.874 30.600 29.700 0.044 0.000 1.117 487 E HN 0.346 nan 8.360 nan 0.000 0.410 488 V N 5.379 125.282 119.914 -0.018 0.000 2.488 488 V HA 0.249 4.369 4.120 -0.001 0.000 0.277 488 V C 0.249 176.354 176.094 0.018 0.000 1.046 488 V CA -0.230 62.077 62.300 0.012 0.000 0.986 488 V CB 0.908 32.722 31.823 -0.015 0.000 0.989 488 V HN 0.565 nan 8.190 nan 0.000 0.475 489 K N 3.221 123.641 120.400 0.034 0.000 2.345 489 K HA 0.524 4.844 4.320 -0.001 0.000 0.255 489 K C -0.689 175.863 176.600 -0.080 0.000 0.934 489 K CA -0.409 55.866 56.287 -0.020 0.000 0.801 489 K CB 1.649 34.143 32.500 -0.010 0.000 1.137 489 K HN 0.687 nan 8.250 nan 0.000 0.424 490 T N 2.980 117.456 114.554 -0.131 0.000 2.767 490 T HA 0.305 4.654 4.350 -0.001 0.000 0.284 490 T C -0.821 173.681 174.700 -0.329 0.000 0.973 490 T CA -0.526 61.442 62.100 -0.219 0.000 0.996 490 T CB 1.159 69.927 68.868 -0.165 0.000 0.927 490 T HN 0.292 nan 8.240 nan 0.000 0.456 491 V N 4.257 123.811 119.914 -0.601 0.000 2.378 491 V HA 0.417 4.537 4.120 -0.001 0.000 0.288 491 V C 0.125 175.838 176.094 -0.635 0.000 1.016 491 V CA -0.702 61.192 62.300 -0.677 0.000 0.840 491 V CB 1.653 32.850 31.823 -1.043 0.000 0.994 491 V HN 0.943 nan 8.190 nan 0.000 0.431 492 T N 4.872 119.222 114.554 -0.339 0.000 2.809 492 T HA 0.539 4.888 4.350 -0.001 0.000 0.296 492 T C -0.276 174.397 174.700 -0.045 0.000 1.015 492 T CA -0.313 61.660 62.100 -0.212 0.000 0.954 492 T CB 1.304 70.034 68.868 -0.229 0.000 0.950 492 T HN 0.332 nan 8.240 nan 0.000 0.450 493 V N 3.928 123.886 119.914 0.073 0.000 2.483 493 V HA 0.458 4.578 4.120 -0.001 0.000 0.295 493 V C 0.411 176.708 176.094 0.338 0.000 1.035 493 V CA -1.161 61.260 62.300 0.201 0.000 0.896 493 V CB 1.741 33.708 31.823 0.240 0.000 0.986 493 V HN 0.723 nan 8.190 nan 0.000 0.447 494 K N 3.998 124.569 120.400 0.284 0.000 2.339 494 K HA 0.506 4.826 4.320 -0.001 0.000 0.286 494 K C -0.565 176.059 176.600 0.041 0.000 1.050 494 K CA -0.279 56.085 56.287 0.129 0.000 0.956 494 K CB 1.151 33.703 32.500 0.087 0.000 0.990 494 K HN 0.677 nan 8.250 nan 0.000 0.475 495 V N 2.070 121.954 119.914 -0.050 0.000 2.815 495 V HA 0.411 4.530 4.120 -0.001 0.000 0.314 495 V C -2.087 173.957 176.094 -0.083 0.000 1.064 495 V CA -2.032 60.254 62.300 -0.023 0.000 0.952 495 V CB 1.276 33.109 31.823 0.017 0.000 1.020 495 V HN 0.679 nan 8.190 nan 0.000 0.439 496 P HA -0.111 nan 4.420 nan 0.000 0.214 496 P C 0.095 177.351 177.300 -0.074 0.000 1.163 496 P CA 1.401 64.466 63.100 -0.059 0.000 0.889 496 P CB 0.133 31.810 31.700 -0.039 0.000 0.790 497 Q N -1.192 118.569 119.800 -0.065 0.000 2.371 497 Q HA 0.171 4.510 4.340 -0.001 0.000 0.244 497 Q C -1.067 174.904 176.000 -0.050 0.000 0.882 497 Q CA -0.722 55.044 55.803 -0.062 0.000 0.866 497 Q CB 1.160 29.870 28.738 -0.047 0.000 1.399 497 Q HN -0.156 nan 8.270 nan 0.000 0.432 498 K N 3.833 124.205 120.400 -0.048 0.000 2.298 498 K HA 0.294 4.614 4.320 -0.001 0.000 0.280 498 K C -0.998 175.595 176.600 -0.012 0.000 1.032 498 K CA 0.086 56.362 56.287 -0.018 0.000 0.958 498 K CB 0.663 33.169 32.500 0.010 0.000 0.978 498 K HN 0.652 nan 8.250 nan 0.000 0.472 499 N N 1.338 120.032 118.700 -0.011 0.000 2.262 499 N HA 0.116 4.855 4.740 -0.001 0.000 0.295 499 N C -0.759 174.748 175.510 -0.005 0.000 1.161 499 N CA -0.557 52.486 53.050 -0.011 0.000 0.767 499 N CB 1.995 40.469 38.487 -0.021 0.000 1.499 499 N HN 0.731 nan 8.380 nan 0.000 0.476 500 S N 0.000 115.699 115.700 -0.001 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 500 S CA 0.000 58.201 58.200 0.002 0.000 1.107 500 S CB 0.000 63.203 63.200 0.004 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517