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 3d2f_1_C DATA FIRST_RESID 2 DATA SEQUENCE STPFGLDLGN NNSVLAVARN RGIDIVVNEV SNRSTPSVVG FGPKNRYLGE DATA SEQUENCE TGKNKQTSNI KNTVANLKRI IGLDYHHPDF EQESKHFTSK LVELDDKKTG DATA SEQUENCE AEVRFAGEKH VFSATQLAAM FIDKVKDTVK QDTKANITDV CIAVPPWYTE DATA SEQUENCE EQRYNIADAA RIAGLNPVRI VNDVTAAGVS YGIFKTDLPE GEEKPRIVAF DATA SEQUENCE VDIGHSSYTC SIMAFKKGQL KVLGTACDKH FGGRDFDLAI TEHFADEFKT DATA SEQUENCE KYKIDIRENP KAYNRILTAA EKLKKVLSAN TNAPFSVESV MNDVDVSSQL DATA SEQUENCE SREELEELVK PLLERVTEPV TKALAQAKLS AEEVDFVEII GGTTRIPTLK DATA SEQUENCE QSISEAFGKP LSTTLNQDEA IAKGAAFICA IHSPTLRVRP FKFEDIHPYS DATA SEQUENCE VSYSWDKQVE DEDHMEVFPA GSSFPSTKLI TLNRTGDFSM AASYTDITQL DATA SEQUENCE PPNTPEQIAN WEITGVQLPE GQDSVPVKLK LRCDPSGLHT IEEAYTIXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXKTVKKD DLTIVAHTFG LDAKKLNELI DATA SEQUENCE EKENEMLAQD KLVAETEDRK NTLEEYIYTL RGKLEEEYAP FASDAEKTKL DATA SEQUENCE QGMLNKAEEW LYDEGFDSIK AKYIAKYEEL ASLGNIIRGR YLAKEEEKKQ DATA SEQUENCE AIRS 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.606 174.600 0.011 0.000 1.055 2 S CA 0.000 58.204 58.200 0.007 0.000 1.107 2 S CB 0.000 63.208 63.200 0.014 0.000 0.593 3 T N 0.760 115.321 114.554 0.012 0.000 2.795 3 T HA 0.709 5.059 4.350 -0.000 0.000 0.282 3 T C -2.990 171.742 174.700 0.054 0.000 0.980 3 T CA -1.882 60.231 62.100 0.020 0.000 1.012 3 T CB 0.423 69.294 68.868 0.005 0.000 0.936 3 T HN 0.399 nan 8.240 nan 0.000 0.457 4 P HA 0.241 nan 4.420 nan 0.000 0.268 4 P C -1.354 176.046 177.300 0.166 0.000 1.204 4 P CA -0.179 62.971 63.100 0.085 0.000 0.768 4 P CB 0.041 31.764 31.700 0.039 0.000 0.842 5 F N 2.560 122.501 119.950 -0.016 0.000 2.507 5 F HA 0.634 5.161 4.527 -0.000 0.000 0.328 5 F C -0.045 175.746 175.800 -0.016 0.000 1.136 5 F CA -0.710 57.278 58.000 -0.020 0.000 0.930 5 F CB 1.401 40.384 39.000 -0.028 0.000 1.166 5 F HN 0.345 nan 8.300 nan 0.000 0.436 6 G N 6.856 115.625 108.800 -0.052 0.000 2.356 6 G HA2 0.526 4.486 3.960 -0.000 0.000 0.322 6 G HA3 0.526 4.486 3.960 -0.000 0.000 0.322 6 G C -1.994 172.693 174.900 -0.355 0.000 1.125 6 G CA -0.740 44.214 45.100 -0.244 0.000 0.885 6 G HN 0.719 nan 8.290 nan 0.000 0.467 7 L N 2.766 123.745 121.223 -0.406 0.000 2.372 7 L HA 0.323 4.663 4.340 -0.000 0.000 0.273 7 L C -1.192 175.600 176.870 -0.131 0.000 0.989 7 L CA -0.803 53.870 54.840 -0.279 0.000 0.841 7 L CB 1.877 43.691 42.059 -0.409 0.000 1.225 7 L HN 0.496 nan 8.230 nan 0.000 0.414 8 D N 5.703 126.071 120.400 -0.053 0.000 2.422 8 D HA 0.127 4.767 4.640 -0.000 0.000 0.227 8 D C -0.354 175.943 176.300 -0.005 0.000 1.190 8 D CA 0.064 54.037 54.000 -0.044 0.000 0.905 8 D CB 0.653 41.434 40.800 -0.032 0.000 1.034 8 D HN 0.447 nan 8.370 nan 0.000 0.507 9 L N 4.478 125.684 121.223 -0.029 0.000 2.328 9 L HA 0.441 4.781 4.340 -0.000 0.000 0.280 9 L C 0.671 177.510 176.870 -0.051 0.000 1.111 9 L CA -0.527 54.320 54.840 0.011 0.000 0.909 9 L CB 0.175 42.245 42.059 0.019 0.000 1.277 9 L HN 0.398 nan 8.230 nan 0.000 0.433 10 G N 1.686 110.461 108.800 -0.042 0.000 2.476 10 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.286 10 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.286 10 G C 0.642 175.488 174.900 -0.091 0.000 1.177 10 G CA -0.465 44.602 45.100 -0.055 0.000 0.870 10 G HN 0.684 nan 8.290 nan 0.000 0.528 11 N N 0.230 118.908 118.700 -0.037 0.000 2.188 11 N HA -0.150 4.590 4.740 -0.000 0.000 0.184 11 N C 1.662 177.035 175.510 -0.227 0.000 1.018 11 N CA 1.138 54.163 53.050 -0.042 0.000 0.858 11 N CB 0.056 38.630 38.487 0.144 0.000 0.989 11 N HN 0.658 nan 8.380 nan 0.000 0.426 12 N N 0.402 118.911 118.700 -0.319 0.000 2.428 12 N HA -0.043 4.697 4.740 -0.000 0.000 0.181 12 N C -0.420 174.932 175.510 -0.263 0.000 1.028 12 N CA 0.529 53.285 53.050 -0.491 0.000 0.877 12 N CB 0.305 38.432 38.487 -0.599 0.000 1.064 12 N HN 0.335 nan 8.380 nan 0.000 0.434 13 N N -0.607 118.000 118.700 -0.155 0.000 2.416 13 N HA 0.194 4.934 4.740 -0.000 0.000 0.276 13 N C -1.749 173.750 175.510 -0.017 0.000 1.261 13 N CA -0.475 52.526 53.050 -0.080 0.000 0.790 13 N CB 1.913 40.373 38.487 -0.045 0.000 1.554 13 N HN -0.174 nan 8.380 nan 0.000 0.481 14 S N 0.240 115.987 115.700 0.079 0.000 2.503 14 S HA 0.584 5.054 4.470 -0.000 0.000 0.301 14 S C -0.396 174.274 174.600 0.117 0.000 1.087 14 S CA -0.627 57.659 58.200 0.143 0.000 1.042 14 S CB 1.662 65.082 63.200 0.366 0.000 1.043 14 S HN 0.422 nan 8.310 nan 0.000 0.489 15 V N 3.377 123.339 119.914 0.080 0.000 2.555 15 V HA 0.522 4.642 4.120 -0.000 0.000 0.302 15 V C -1.188 174.960 176.094 0.090 0.000 1.038 15 V CA -0.809 61.528 62.300 0.061 0.000 0.887 15 V CB 1.428 33.265 31.823 0.023 0.000 0.991 15 V HN 0.594 nan 8.190 nan 0.000 0.434 16 L N 4.211 125.499 121.223 0.109 0.000 2.305 16 L HA 0.887 5.227 4.340 -0.000 0.000 0.284 16 L C 0.230 177.186 176.870 0.143 0.000 1.013 16 L CA -0.327 54.635 54.840 0.204 0.000 0.819 16 L CB 1.203 43.351 42.059 0.148 0.000 1.227 16 L HN 0.836 nan 8.230 nan 0.000 0.417 17 A N 2.930 125.866 122.820 0.192 0.000 2.469 17 A HA 0.960 5.280 4.320 -0.000 0.000 0.299 17 A C -1.377 176.314 177.584 0.178 0.000 1.098 17 A CA -0.657 51.453 52.037 0.123 0.000 0.737 17 A CB 2.159 21.196 19.000 0.061 0.000 1.312 17 A HN 0.386 nan 8.150 nan 0.000 0.414 18 V N 0.457 120.433 119.914 0.103 0.000 2.777 18 V HA 0.632 4.752 4.120 -0.000 0.000 0.306 18 V C -0.050 176.080 176.094 0.061 0.000 1.112 18 V CA -0.123 62.233 62.300 0.094 0.000 0.917 18 V CB 1.923 33.772 31.823 0.043 0.000 1.018 18 V HN 1.556 nan 8.190 nan 0.000 0.426 19 A N 6.500 129.355 122.820 0.059 0.000 2.310 19 A HA 0.860 5.180 4.320 -0.000 0.000 0.300 19 A C 0.026 177.626 177.584 0.026 0.000 1.269 19 A CA -0.247 51.815 52.037 0.042 0.000 0.909 19 A CB -0.005 19.010 19.000 0.026 0.000 1.144 19 A HN 0.962 nan 8.150 nan 0.000 0.540 20 R N 2.019 122.533 120.500 0.023 0.000 2.716 20 R HA 0.636 4.976 4.340 -0.000 0.000 0.271 20 R C 0.196 176.504 176.300 0.013 0.000 1.028 20 R CA -0.384 55.724 56.100 0.013 0.000 0.883 20 R CB 0.449 30.752 30.300 0.004 0.000 1.250 20 R HN 0.603 nan 8.270 nan 0.000 0.465 21 N N -0.845 117.860 118.700 0.009 0.000 1.156 21 N HA -0.449 4.291 4.740 -0.000 0.000 0.125 21 N C 1.498 177.018 175.510 0.016 0.000 0.726 21 N CA 2.700 55.756 53.050 0.009 0.000 0.887 21 N CB -0.907 37.583 38.487 0.005 0.000 1.163 21 N HN 0.872 nan 8.380 nan 0.000 0.564 22 R N 0.386 120.896 120.500 0.017 0.000 2.154 22 R HA 0.047 4.387 4.340 -0.000 0.000 0.236 22 R C 1.709 178.030 176.300 0.036 0.000 1.121 22 R CA 3.374 59.488 56.100 0.023 0.000 0.915 22 R CB -1.791 28.520 30.300 0.018 0.000 0.856 22 R HN 0.869 nan 8.270 nan 0.000 0.431 23 G N -2.156 106.666 108.800 0.038 0.000 3.535 23 G HA2 0.475 4.435 3.960 -0.000 0.000 0.169 23 G HA3 0.475 4.435 3.960 -0.000 0.000 0.169 23 G C -0.955 173.976 174.900 0.052 0.000 1.241 23 G CA 0.069 45.203 45.100 0.058 0.000 1.334 23 G HN 0.439 nan 8.290 nan 0.000 0.717 24 I N 2.051 122.647 120.570 0.043 0.000 2.406 24 I HA 0.431 4.601 4.170 -0.000 0.000 0.290 24 I C -1.500 174.623 176.117 0.010 0.000 0.999 24 I CA -0.651 60.671 61.300 0.037 0.000 1.124 24 I CB 2.220 40.248 38.000 0.048 0.000 1.289 24 I HN 0.131 nan 8.210 nan 0.000 0.441 25 D N 6.517 126.925 120.400 0.012 0.000 2.362 25 D HA 0.420 5.060 4.640 -0.000 0.000 0.247 25 D C -0.320 175.981 176.300 0.003 0.000 1.050 25 D CA -0.375 53.624 54.000 -0.001 0.000 0.839 25 D CB 2.721 43.519 40.800 -0.003 0.000 1.283 25 D HN 0.122 nan 8.370 nan 0.000 0.477 26 I N 1.779 122.344 120.570 -0.009 0.000 2.496 26 I HA 0.099 4.269 4.170 -0.000 0.000 0.285 26 I C 0.401 176.512 176.117 -0.009 0.000 1.080 26 I CA -0.373 60.925 61.300 -0.005 0.000 1.404 26 I CB 0.986 38.976 38.000 -0.016 0.000 1.403 26 I HN 0.017 nan 8.210 nan 0.000 0.539 27 V N 7.550 127.461 119.914 -0.006 0.000 2.407 27 V HA 0.298 4.418 4.120 -0.000 0.000 0.278 27 V C 0.345 176.422 176.094 -0.028 0.000 1.037 27 V CA -0.678 61.605 62.300 -0.029 0.000 0.900 27 V CB 1.945 33.734 31.823 -0.058 0.000 0.983 27 V HN 0.421 nan 8.190 nan 0.000 0.459 28 V N 6.416 126.309 119.914 -0.035 0.000 2.644 28 V HA 0.318 4.438 4.120 -0.000 0.000 0.295 28 V C 0.607 176.677 176.094 -0.040 0.000 1.053 28 V CA -0.462 61.819 62.300 -0.031 0.000 0.987 28 V CB 1.656 33.462 31.823 -0.029 0.000 1.006 28 V HN 1.096 nan 8.190 nan 0.000 0.472 29 N N 3.573 122.252 118.700 -0.034 0.000 2.443 29 N HA 0.183 4.923 4.740 -0.000 0.000 0.294 29 N C 0.794 176.281 175.510 -0.039 0.000 1.289 29 N CA -0.444 52.581 53.050 -0.041 0.000 0.966 29 N CB 0.578 39.045 38.487 -0.032 0.000 1.122 29 N HN 0.669 nan 8.380 nan 0.000 0.569 30 E N -0.095 120.081 120.200 -0.040 0.000 2.347 30 E HA -0.128 4.222 4.350 -0.000 0.000 0.196 30 E C 1.534 178.116 176.600 -0.030 0.000 1.008 30 E CA 0.810 57.188 56.400 -0.037 0.000 0.852 30 E CB -0.353 29.324 29.700 -0.039 0.000 0.783 30 E HN 0.458 nan 8.360 nan 0.000 0.505 31 V N -0.286 119.613 119.914 -0.026 0.000 3.596 31 V HA 0.206 4.326 4.120 -0.000 0.000 0.289 31 V C 0.319 176.400 176.094 -0.021 0.000 1.336 31 V CA 0.706 62.992 62.300 -0.023 0.000 1.137 31 V CB -0.664 31.146 31.823 -0.021 0.000 0.966 31 V HN 0.225 nan 8.190 nan 0.000 0.428 32 S N 0.304 115.990 115.700 -0.023 0.000 2.931 32 S HA -0.157 4.313 4.470 -0.000 0.000 0.271 32 S C 0.245 174.834 174.600 -0.019 0.000 1.309 32 S CA 0.991 59.178 58.200 -0.022 0.000 1.181 32 S CB -1.857 61.331 63.200 -0.020 0.000 1.435 32 S HN 0.788 nan 8.310 nan 0.000 0.670 33 N N 1.138 119.828 118.700 -0.016 0.000 2.513 33 N HA 0.286 5.026 4.740 -0.000 0.000 0.274 33 N C 1.062 176.566 175.510 -0.010 0.000 1.189 33 N CA -0.259 52.783 53.050 -0.012 0.000 0.975 33 N CB 0.365 38.847 38.487 -0.008 0.000 1.157 33 N HN 0.323 nan 8.380 nan 0.000 0.465 34 R N -0.363 120.132 120.500 -0.009 0.000 2.297 34 R HA 0.079 4.419 4.340 -0.000 0.000 0.197 34 R C 0.120 176.422 176.300 0.002 0.000 0.943 34 R CA 0.222 56.317 56.100 -0.008 0.000 1.038 34 R CB 0.089 30.381 30.300 -0.013 0.000 0.957 34 R HN 0.645 nan 8.270 nan 0.000 0.484 35 S N -0.777 114.928 115.700 0.008 0.000 2.595 35 S HA 0.380 4.850 4.470 -0.000 0.000 0.281 35 S C -0.449 174.173 174.600 0.038 0.000 1.117 35 S CA -0.793 57.422 58.200 0.026 0.000 0.873 35 S CB 2.518 65.727 63.200 0.016 0.000 1.108 35 S HN 0.009 nan 8.310 nan 0.000 0.477 36 T N 0.505 115.109 114.554 0.082 0.000 2.824 36 T HA 0.648 4.998 4.350 -0.000 0.000 0.282 36 T C -3.203 171.582 174.700 0.142 0.000 0.993 36 T CA -2.202 59.968 62.100 0.116 0.000 0.967 36 T CB 0.994 69.935 68.868 0.121 0.000 0.960 36 T HN 0.381 nan 8.240 nan 0.000 0.441 37 P HA 0.122 nan 4.420 nan 0.000 0.261 37 P C -0.279 176.980 177.300 -0.067 0.000 1.183 37 P CA 0.058 63.149 63.100 -0.016 0.000 0.761 37 P CB 0.318 32.005 31.700 -0.022 0.000 0.785 38 S N 2.295 117.800 115.700 -0.324 0.000 4.183 38 S HA 0.209 4.679 4.470 -0.000 0.000 0.195 38 S C 0.134 174.376 174.600 -0.597 0.000 1.421 38 S CA -0.251 57.432 58.200 -0.862 0.000 0.920 38 S CB -0.648 62.131 63.200 -0.701 0.000 1.525 38 S HN 0.154 nan 8.310 nan 0.000 0.447 39 V N 1.763 121.475 119.914 -0.338 0.000 2.656 39 V HA 0.480 4.600 4.120 -0.000 0.000 0.307 39 V C -0.260 175.801 176.094 -0.056 0.000 1.051 39 V CA -0.744 61.465 62.300 -0.151 0.000 0.893 39 V CB 2.094 33.872 31.823 -0.076 0.000 0.999 39 V HN 0.224 nan 8.190 nan 0.000 0.426 40 V N 3.699 123.567 119.914 -0.077 0.000 2.349 40 V HA 0.785 4.905 4.120 -0.000 0.000 0.284 40 V C 0.561 176.502 176.094 -0.256 0.000 1.014 40 V CA -0.105 62.093 62.300 -0.170 0.000 0.826 40 V CB 1.425 33.165 31.823 -0.138 0.000 1.009 40 V HN 1.005 nan 8.190 nan 0.000 0.431 41 G N 3.244 111.839 108.800 -0.342 0.000 2.511 41 G HA2 0.814 4.774 3.960 -0.000 0.000 0.318 41 G HA3 0.814 4.774 3.960 -0.000 0.000 0.318 41 G C -1.507 173.002 174.900 -0.652 0.000 1.210 41 G CA -0.515 44.459 45.100 -0.210 0.000 0.969 41 G HN 0.364 nan 8.290 nan 0.000 0.484 42 F N -0.595 119.336 119.950 -0.032 0.000 2.565 42 F HA 0.718 5.245 4.527 -0.000 0.000 0.313 42 F C 0.689 176.429 175.800 -0.100 0.000 1.091 42 F CA -0.520 57.342 58.000 -0.230 0.000 0.915 42 F CB 2.709 41.608 39.000 -0.168 0.000 1.208 42 F HN 0.748 nan 8.300 nan 0.000 0.453 43 G N 1.023 109.758 108.800 -0.109 0.000 3.042 43 G HA2 0.538 4.498 3.960 -0.000 0.000 0.278 43 G HA3 0.538 4.498 3.960 -0.000 0.000 0.278 43 G C -2.347 172.684 174.900 0.220 0.000 1.371 43 G CA -1.607 43.551 45.100 0.097 0.000 1.009 43 G HN 0.313 nan 8.290 nan 0.000 0.523 44 P HA -0.027 nan 4.420 nan 0.000 0.222 44 P C 0.816 178.165 177.300 0.081 0.000 1.147 44 P CA 1.297 64.479 63.100 0.137 0.000 0.790 44 P CB 0.396 32.173 31.700 0.128 0.000 0.780 45 K N -1.472 118.982 120.400 0.090 0.000 2.436 45 K HA 0.120 4.440 4.320 -0.000 0.000 0.198 45 K C 1.040 177.687 176.600 0.078 0.000 1.174 45 K CA 0.093 56.414 56.287 0.057 0.000 0.951 45 K CB 0.464 33.006 32.500 0.069 0.000 1.040 45 K HN 0.257 nan 8.250 nan 0.000 0.536 46 N N 0.618 119.384 118.700 0.111 0.000 3.020 46 N HA 0.171 4.911 4.740 -0.000 0.000 0.248 46 N C -1.403 174.062 175.510 -0.076 0.000 1.480 46 N CA -0.891 52.227 53.050 0.112 0.000 0.874 46 N CB 1.326 39.828 38.487 0.025 0.000 1.433 46 N HN -0.172 nan 8.380 nan 0.000 0.530 47 R N -0.827 119.550 120.500 -0.205 0.000 2.691 47 R HA 0.447 4.787 4.340 -0.000 0.000 0.259 47 R C -1.281 174.738 176.300 -0.468 0.000 1.048 47 R CA -0.362 55.384 56.100 -0.591 0.000 1.086 47 R CB 0.209 30.020 30.300 -0.815 0.000 1.166 47 R HN 0.587 nan 8.270 nan 0.000 0.526 48 Y N 0.981 121.119 120.300 -0.270 0.000 2.447 48 Y HA 0.428 4.978 4.550 -0.000 0.000 0.325 48 Y C -0.372 175.416 175.900 -0.186 0.000 0.976 48 Y CA -0.929 57.071 58.100 -0.166 0.000 1.280 48 Y CB 1.153 39.547 38.460 -0.111 0.000 1.104 48 Y HN 0.277 nan 8.280 nan 0.000 0.486 49 L N 2.697 123.922 121.223 0.003 0.000 2.322 49 L HA 0.800 5.140 4.340 -0.000 0.000 0.281 49 L C 0.968 177.878 176.870 0.066 0.000 1.014 49 L CA -0.504 54.334 54.840 -0.003 0.000 0.815 49 L CB 1.605 43.627 42.059 -0.062 0.000 1.247 49 L HN 0.826 nan 8.230 nan 0.000 0.421 50 G N 1.947 110.854 108.800 0.179 0.000 2.565 50 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.295 50 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.295 50 G C 0.840 175.793 174.900 0.088 0.000 1.165 50 G CA 0.315 45.545 45.100 0.216 0.000 0.977 50 G HN 0.623 nan 8.290 nan 0.000 0.546 51 E N 0.068 120.299 120.200 0.052 0.000 2.070 51 E HA -0.137 4.213 4.350 -0.000 0.000 0.197 51 E C 2.793 179.390 176.600 -0.006 0.000 1.004 51 E CA 2.132 58.541 56.400 0.014 0.000 0.805 51 E CB -0.739 28.962 29.700 0.001 0.000 0.744 51 E HN 0.578 nan 8.360 nan 0.000 0.451 52 T N 0.290 114.843 114.554 -0.002 0.000 2.867 52 T HA -0.073 4.277 4.350 -0.000 0.000 0.268 52 T C 1.839 176.515 174.700 -0.039 0.000 1.057 52 T CA 1.157 63.241 62.100 -0.027 0.000 1.136 52 T CB -0.460 68.419 68.868 0.017 0.000 0.874 52 T HN 0.368 nan 8.240 nan 0.000 0.466 53 G N 1.843 110.659 108.800 0.027 0.000 2.459 53 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 53 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 53 G C 1.676 176.568 174.900 -0.014 0.000 1.183 53 G CA 0.684 45.803 45.100 0.031 0.000 0.776 53 G HN 0.307 nan 8.290 nan 0.000 0.552 54 K N 0.380 120.768 120.400 -0.021 0.000 2.057 54 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 54 K C 2.425 178.998 176.600 -0.045 0.000 1.049 54 K CA 0.954 57.222 56.287 -0.032 0.000 0.931 54 K CB -0.343 32.140 32.500 -0.029 0.000 0.714 54 K HN 0.136 nan 8.250 nan 0.000 0.440 55 N N 1.124 119.787 118.700 -0.062 0.000 2.061 55 N HA -0.145 4.595 4.740 -0.000 0.000 0.193 55 N C 1.419 176.862 175.510 -0.112 0.000 1.030 55 N CA 1.249 54.248 53.050 -0.084 0.000 0.856 55 N CB -0.037 38.389 38.487 -0.102 0.000 1.023 55 N HN 0.132 nan 8.380 nan 0.000 0.424 56 K N 0.969 121.267 120.400 -0.171 0.000 2.426 56 K HA 0.013 4.333 4.320 -0.000 0.000 0.193 56 K C 1.620 178.167 176.600 -0.088 0.000 1.028 56 K CA -0.050 56.106 56.287 -0.220 0.000 1.047 56 K CB 0.183 32.358 32.500 -0.542 0.000 0.821 56 K HN 0.343 nan 8.250 nan 0.000 0.513 57 Q N 1.065 120.840 119.800 -0.043 0.000 2.014 57 Q HA -0.204 4.136 4.340 -0.000 0.000 0.207 57 Q C 1.922 177.936 176.000 0.022 0.000 0.993 57 Q CA 2.220 58.028 55.803 0.008 0.000 0.850 57 Q CB -0.347 28.393 28.738 0.005 0.000 0.916 57 Q HN 0.199 nan 8.270 nan 0.000 0.417 58 T N 0.096 114.655 114.554 0.008 0.000 2.699 58 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 58 T C 1.748 176.464 174.700 0.027 0.000 1.036 58 T CA 2.202 64.313 62.100 0.019 0.000 1.147 58 T CB -0.282 68.588 68.868 0.003 0.000 0.862 58 T HN 0.543 nan 8.240 nan 0.000 0.446 59 S N -0.407 115.302 115.700 0.014 0.000 2.593 59 S HA 0.165 4.635 4.470 -0.000 0.000 0.217 59 S C 1.060 175.692 174.600 0.053 0.000 0.966 59 S CA 0.054 58.269 58.200 0.024 0.000 0.914 59 S CB -0.179 63.021 63.200 0.001 0.000 0.776 59 S HN 0.655 nan 8.310 nan 0.000 0.523 60 N N 0.735 119.475 118.700 0.068 0.000 2.598 60 N HA 0.212 4.951 4.740 -0.000 0.000 0.295 60 N C 0.904 176.492 175.510 0.130 0.000 1.729 60 N CA 0.198 53.317 53.050 0.116 0.000 0.877 60 N CB 0.460 39.033 38.487 0.142 0.000 1.405 60 N HN 0.529 nan 8.380 nan 0.000 0.491 61 I N -1.921 118.716 120.570 0.111 0.000 2.493 61 I HA -0.112 4.058 4.170 -0.000 0.000 0.254 61 I C 1.667 177.870 176.117 0.143 0.000 1.160 61 I CA 0.942 62.313 61.300 0.119 0.000 1.445 61 I CB -0.092 37.973 38.000 0.108 0.000 1.086 61 I HN -0.032 nan 8.210 nan 0.000 0.433 62 K N 1.158 121.644 120.400 0.144 0.000 2.283 62 K HA 0.006 4.326 4.320 -0.000 0.000 0.202 62 K C 0.654 177.367 176.600 0.188 0.000 1.048 62 K CA 1.001 57.379 56.287 0.151 0.000 0.948 62 K CB -0.156 32.421 32.500 0.129 0.000 0.742 62 K HN 0.474 nan 8.250 nan 0.000 0.458 63 N N 0.545 119.377 118.700 0.219 0.000 2.282 63 N HA 0.044 4.784 4.740 -0.000 0.000 0.240 63 N C -0.865 174.856 175.510 0.350 0.000 1.182 63 N CA 0.176 53.406 53.050 0.299 0.000 0.874 63 N CB 1.553 40.230 38.487 0.316 0.000 1.126 63 N HN -0.090 nan 8.380 nan 0.000 0.516 64 T N 0.753 115.462 114.554 0.259 0.000 2.786 64 T HA 0.298 4.648 4.350 -0.000 0.000 0.283 64 T C -0.364 174.453 174.700 0.196 0.000 0.992 64 T CA -0.494 61.724 62.100 0.197 0.000 0.954 64 T CB 2.538 71.482 68.868 0.126 0.000 0.934 64 T HN -0.123 nan 8.240 nan 0.000 0.440 65 V N 2.862 122.893 119.914 0.195 0.000 2.459 65 V HA 0.942 5.062 4.120 -0.000 0.000 0.295 65 V C -0.322 175.799 176.094 0.044 0.000 1.029 65 V CA -0.285 62.137 62.300 0.203 0.000 0.874 65 V CB 0.748 32.792 31.823 0.369 0.000 0.985 65 V HN 1.107 nan 8.190 nan 0.000 0.438 66 A N 4.512 127.277 122.820 -0.091 0.000 3.458 66 A HA 0.595 4.915 4.320 -0.000 0.000 0.205 66 A C 0.520 177.945 177.584 -0.265 0.000 1.060 66 A CA -0.135 51.792 52.037 -0.183 0.000 0.829 66 A CB 0.455 19.331 19.000 -0.206 0.000 1.419 66 A HN 1.253 nan 8.150 nan 0.000 0.644 67 N N -0.498 118.049 118.700 -0.255 0.000 2.696 67 N HA -0.180 4.560 4.740 -0.000 0.000 0.249 67 N C 0.947 176.507 175.510 0.084 0.000 1.090 67 N CA 1.020 53.986 53.050 -0.140 0.000 0.716 67 N CB -1.351 36.931 38.487 -0.343 0.000 1.020 67 N HN 0.553 nan 8.380 nan 0.000 0.548 68 L N 0.569 121.817 121.223 0.042 0.000 2.013 68 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 68 L C 2.486 179.459 176.870 0.172 0.000 1.073 68 L CA 2.251 57.160 54.840 0.115 0.000 0.753 68 L CB -0.500 41.559 42.059 0.000 0.000 0.890 68 L HN 0.421 nan 8.230 nan 0.000 0.432 69 K N -0.616 119.873 120.400 0.149 0.000 2.365 69 K HA -0.074 4.246 4.320 -0.000 0.000 0.199 69 K C 1.957 178.778 176.600 0.369 0.000 1.045 69 K CA 0.530 56.959 56.287 0.237 0.000 0.962 69 K CB -0.000 32.573 32.500 0.123 0.000 0.759 69 K HN 0.199 nan 8.250 nan 0.000 0.469 70 R N 1.370 122.068 120.500 0.330 0.000 2.127 70 R HA 0.059 4.399 4.340 -0.000 0.000 0.217 70 R C 2.361 178.833 176.300 0.285 0.000 1.074 70 R CA 1.092 57.410 56.100 0.363 0.000 0.991 70 R CB -0.488 29.991 30.300 0.297 0.000 0.895 70 R HN 0.517 nan 8.270 nan 0.000 0.450 71 I N -1.338 119.399 120.570 0.279 0.000 3.419 71 I HA 0.129 4.299 4.170 -0.000 0.000 0.286 71 I C 0.487 176.697 176.117 0.156 0.000 1.268 71 I CA -0.146 61.272 61.300 0.197 0.000 1.414 71 I CB -0.003 38.102 38.000 0.175 0.000 1.074 71 I HN -0.235 nan 8.210 nan 0.000 0.457 72 I N 4.035 124.700 120.570 0.157 0.000 2.821 72 I HA -0.040 4.130 4.170 -0.000 0.000 0.294 72 I C 1.619 177.732 176.117 -0.006 0.000 1.210 72 I CA 1.486 62.835 61.300 0.082 0.000 1.430 72 I CB -0.536 37.522 38.000 0.097 0.000 1.356 72 I HN 0.634 nan 8.210 nan 0.000 0.563 73 G N 5.899 114.695 108.800 -0.008 0.000 2.187 73 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.261 73 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.261 73 G C 0.383 175.291 174.900 0.013 0.000 1.000 73 G CA -0.114 44.961 45.100 -0.042 0.000 0.718 73 G HN 0.558 nan 8.290 nan 0.000 0.519 74 L N 1.207 122.472 121.223 0.070 0.000 2.315 74 L HA 0.260 4.600 4.340 -0.000 0.000 0.283 74 L C -0.232 176.742 176.870 0.174 0.000 1.089 74 L CA -0.614 54.297 54.840 0.118 0.000 0.833 74 L CB 0.401 42.546 42.059 0.143 0.000 1.170 74 L HN 0.018 nan 8.230 nan 0.000 0.442 75 D N 3.291 123.813 120.400 0.203 0.000 2.458 75 D HA -0.103 4.537 4.640 -0.000 0.000 0.243 75 D C 0.571 176.971 176.300 0.167 0.000 1.146 75 D CA 0.230 54.346 54.000 0.193 0.000 0.877 75 D CB 0.781 41.708 40.800 0.211 0.000 1.176 75 D HN 0.398 nan 8.370 nan 0.000 0.461 76 Y N 2.417 122.632 120.300 -0.141 0.000 2.256 76 Y HA -0.213 4.337 4.550 -0.000 0.000 0.288 76 Y C 1.537 176.919 175.900 -0.865 0.000 1.155 76 Y CA 1.616 59.366 58.100 -0.584 0.000 1.203 76 Y CB 0.190 38.267 38.460 -0.639 0.000 0.980 76 Y HN 0.526 nan 8.280 nan 0.000 0.530 77 H N -1.184 117.786 119.070 -0.167 0.000 2.507 77 H HA 0.076 4.632 4.556 -0.000 0.000 0.294 77 H C 0.033 175.334 175.328 -0.045 0.000 1.064 77 H CA -0.098 55.842 56.048 -0.180 0.000 1.138 77 H CB -0.651 29.061 29.762 -0.084 0.000 1.515 77 H HN 0.251 nan 8.280 nan 0.000 0.547 78 H N 2.848 121.937 119.070 0.032 0.000 3.034 78 H HA -0.023 4.533 4.556 -0.000 0.000 0.324 78 H C -1.551 173.833 175.328 0.092 0.000 1.015 78 H CA -1.188 54.916 56.048 0.093 0.000 1.429 78 H CB 1.453 31.303 29.762 0.146 0.000 1.429 78 H HN 0.102 nan 8.280 nan 0.000 0.585 79 P HA -0.104 nan 4.420 nan 0.000 0.221 79 P C 0.190 177.597 177.300 0.178 0.000 1.145 79 P CA 1.209 64.342 63.100 0.055 0.000 0.795 79 P CB 0.353 32.023 31.700 -0.050 0.000 0.775 80 D N -2.399 118.248 120.400 0.412 0.000 2.427 80 D HA 0.084 4.723 4.640 -0.000 0.000 0.224 80 D C 1.097 177.484 176.300 0.144 0.000 1.157 80 D CA -0.335 53.799 54.000 0.222 0.000 0.828 80 D CB -0.721 40.191 40.800 0.188 0.000 0.974 80 D HN 0.086 nan 8.370 nan 0.000 0.498 81 F N 2.069 122.054 119.950 0.057 0.000 2.126 81 F HA -0.211 4.316 4.527 -0.000 0.000 0.299 81 F C 2.176 177.943 175.800 -0.056 0.000 1.096 81 F CA 1.465 59.440 58.000 -0.041 0.000 1.255 81 F CB 0.353 39.277 39.000 -0.127 0.000 0.997 81 F HN -0.099 nan 8.300 nan 0.000 0.479 82 E N 0.357 120.552 120.200 -0.007 0.000 2.118 82 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 82 E C 2.107 178.622 176.600 -0.142 0.000 0.992 82 E CA 1.496 57.846 56.400 -0.084 0.000 0.804 82 E CB -0.309 29.380 29.700 -0.020 0.000 0.741 82 E HN 0.615 nan 8.360 nan 0.000 0.458 83 Q N -0.316 119.411 119.800 -0.122 0.000 2.170 83 Q HA -0.162 4.178 4.340 -0.000 0.000 0.203 83 Q C 1.904 177.920 176.000 0.026 0.000 0.976 83 Q CA 1.060 56.799 55.803 -0.106 0.000 0.858 83 Q CB 0.098 28.698 28.738 -0.231 0.000 0.907 83 Q HN 0.223 nan 8.270 nan 0.000 0.433 84 E N -0.064 120.110 120.200 -0.044 0.000 2.060 84 E HA -0.081 4.269 4.350 -0.000 0.000 0.189 84 E C 2.154 178.813 176.600 0.099 0.000 0.974 84 E CA 1.296 57.733 56.400 0.062 0.000 0.808 84 E CB -0.262 29.378 29.700 -0.099 0.000 0.768 84 E HN 0.300 nan 8.360 nan 0.000 0.453 85 S N 1.828 117.362 115.700 -0.277 0.000 2.423 85 S HA -0.148 4.322 4.470 -0.000 0.000 0.231 85 S C 1.875 176.494 174.600 0.032 0.000 1.014 85 S CA 1.254 59.328 58.200 -0.211 0.000 0.965 85 S CB -0.406 62.480 63.200 -0.523 0.000 0.785 85 S HN 0.328 nan 8.310 nan 0.000 0.495 86 K N 0.892 121.232 120.400 -0.100 0.000 2.360 86 K HA -0.121 4.199 4.320 -0.000 0.000 0.201 86 K C 1.224 177.696 176.600 -0.212 0.000 1.046 86 K CA 1.469 57.645 56.287 -0.185 0.000 0.945 86 K CB -0.566 31.752 32.500 -0.304 0.000 0.750 86 K HN 0.529 nan 8.250 nan 0.000 0.464 87 H N -0.606 118.525 119.070 0.102 0.000 2.539 87 H HA 0.166 4.722 4.556 -0.000 0.000 0.269 87 H C -0.404 174.899 175.328 -0.042 0.000 0.980 87 H CA -0.034 56.038 56.048 0.039 0.000 1.152 87 H CB -0.039 29.718 29.762 -0.008 0.000 1.407 87 H HN 0.076 nan 8.280 nan 0.000 0.564 88 F N -0.137 119.867 119.950 0.089 0.000 2.425 88 F HA 0.191 4.718 4.527 -0.000 0.000 0.331 88 F C 1.521 177.366 175.800 0.074 0.000 1.085 88 F CA -0.217 57.835 58.000 0.087 0.000 1.028 88 F CB 2.055 41.096 39.000 0.068 0.000 1.177 88 F HN -0.226 nan 8.300 nan 0.000 0.487 89 T N -0.293 114.410 114.554 0.248 0.000 2.969 89 T HA 0.061 4.411 4.350 -0.000 0.000 0.250 89 T C 0.518 175.340 174.700 0.203 0.000 1.021 89 T CA 0.290 62.497 62.100 0.179 0.000 1.003 89 T CB -0.007 68.942 68.868 0.134 0.000 1.040 89 T HN 0.564 nan 8.240 nan 0.000 0.492 90 S N 1.066 116.935 115.700 0.281 0.000 2.672 90 S HA 0.503 4.973 4.470 -0.000 0.000 0.276 90 S C -0.163 174.568 174.600 0.218 0.000 1.207 90 S CA -0.817 57.535 58.200 0.253 0.000 1.002 90 S CB 1.334 64.710 63.200 0.292 0.000 0.998 90 S HN 0.327 nan 8.310 nan 0.000 0.542 91 K N 0.755 121.249 120.400 0.157 0.000 2.412 91 K HA 0.235 4.555 4.320 -0.000 0.000 0.281 91 K C -1.185 175.478 176.600 0.104 0.000 1.027 91 K CA -0.445 55.913 56.287 0.118 0.000 0.989 91 K CB 0.085 32.638 32.500 0.087 0.000 0.935 91 K HN 0.444 nan 8.250 nan 0.000 0.475 92 L N 5.093 126.382 121.223 0.111 0.000 2.331 92 L HA 0.495 4.835 4.340 -0.000 0.000 0.275 92 L C -0.618 176.348 176.870 0.161 0.000 1.022 92 L CA -0.708 54.207 54.840 0.126 0.000 0.812 92 L CB 1.532 43.687 42.059 0.159 0.000 1.257 92 L HN 0.573 nan 8.230 nan 0.000 0.435 93 V N -0.476 119.444 119.914 0.010 0.000 3.049 93 V HA 0.599 4.719 4.120 -0.000 0.000 0.309 93 V C -0.438 175.217 176.094 -0.732 0.000 1.148 93 V CA -1.022 61.080 62.300 -0.329 0.000 0.990 93 V CB 1.812 33.509 31.823 -0.211 0.000 1.039 93 V HN 0.800 nan 8.190 nan 0.000 0.430 94 E N 2.068 121.474 120.200 -1.323 0.000 2.344 94 E HA 0.427 4.777 4.350 -0.000 0.000 0.270 94 E C -0.713 175.653 176.600 -0.390 0.000 1.021 94 E CA -0.386 55.430 56.400 -0.973 0.000 0.887 94 E CB 0.900 30.086 29.700 -0.856 0.000 0.997 94 E HN 0.687 nan 8.360 nan 0.000 0.429 95 L N 3.381 124.475 121.223 -0.216 0.000 2.472 95 L HA 0.120 4.460 4.340 -0.000 0.000 0.256 95 L C 1.400 178.228 176.870 -0.071 0.000 1.111 95 L CA -0.926 53.851 54.840 -0.106 0.000 0.800 95 L CB 0.339 42.375 42.059 -0.039 0.000 1.286 95 L HN 0.648 nan 8.230 nan 0.000 0.479 96 D N 0.827 121.202 120.400 -0.041 0.000 2.200 96 D HA -0.225 4.415 4.640 -0.000 0.000 0.192 96 D C 0.966 177.264 176.300 -0.005 0.000 1.008 96 D CA 1.979 55.967 54.000 -0.020 0.000 0.872 96 D CB -0.091 40.705 40.800 -0.006 0.000 0.923 96 D HN 0.665 nan 8.370 nan 0.000 0.447 97 D N -2.123 118.282 120.400 0.008 0.000 2.424 97 D HA 0.188 4.828 4.640 -0.000 0.000 0.220 97 D C 0.934 177.259 176.300 0.041 0.000 1.150 97 D CA 0.911 54.928 54.000 0.028 0.000 0.831 97 D CB -0.327 40.498 40.800 0.041 0.000 0.981 97 D HN 0.255 nan 8.370 nan 0.000 0.500 98 K N -0.682 119.738 120.400 0.033 0.000 3.500 98 K HA -0.215 4.105 4.320 -0.000 0.000 0.313 98 K C 0.658 177.302 176.600 0.074 0.000 1.338 98 K CA 1.542 57.868 56.287 0.066 0.000 0.963 98 K CB -2.554 30.005 32.500 0.097 0.000 1.267 98 K HN 0.365 nan 8.250 nan 0.000 0.448 99 K N -0.256 120.174 120.400 0.051 0.000 2.399 99 K HA 0.568 4.888 4.320 -0.000 0.000 0.247 99 K C 0.612 177.251 176.600 0.065 0.000 1.036 99 K CA 0.314 56.647 56.287 0.076 0.000 0.977 99 K CB 1.225 33.767 32.500 0.071 0.000 1.272 99 K HN 0.553 nan 8.250 nan 0.000 0.501 100 T N -0.939 113.690 114.554 0.126 0.000 2.797 100 T HA 0.641 4.991 4.350 -0.000 0.000 0.279 100 T C -0.094 174.667 174.700 0.101 0.000 0.991 100 T CA -0.601 61.593 62.100 0.155 0.000 0.979 100 T CB 1.071 70.186 68.868 0.412 0.000 0.943 100 T HN 0.571 nan 8.240 nan 0.000 0.444 101 G N 1.679 110.508 108.800 0.048 0.000 2.816 101 G HA2 0.780 4.740 3.960 -0.000 0.000 0.288 101 G HA3 0.780 4.740 3.960 -0.000 0.000 0.288 101 G C -1.123 173.812 174.900 0.060 0.000 1.334 101 G CA -0.727 44.411 45.100 0.065 0.000 0.978 101 G HN 1.081 nan 8.290 nan 0.000 0.493 102 A N -0.268 122.614 122.820 0.103 0.000 2.342 102 A HA 0.744 5.064 4.320 -0.000 0.000 0.323 102 A C -0.351 177.267 177.584 0.057 0.000 1.125 102 A CA -0.542 51.562 52.037 0.111 0.000 0.785 102 A CB 1.448 20.579 19.000 0.218 0.000 1.221 102 A HN 0.615 nan 8.150 nan 0.000 0.463 103 E N 1.613 121.829 120.200 0.027 0.000 2.204 103 E HA 0.657 5.007 4.350 -0.000 0.000 0.276 103 E C -1.587 175.020 176.600 0.012 0.000 0.974 103 E CA -0.428 55.956 56.400 -0.027 0.000 0.815 103 E CB 1.587 31.264 29.700 -0.039 0.000 1.119 103 E HN 0.439 nan 8.360 nan 0.000 0.393 104 V N 3.815 123.711 119.914 -0.030 0.000 3.120 104 V HA 0.354 4.474 4.120 -0.000 0.000 0.303 104 V C -0.937 175.184 176.094 0.045 0.000 1.238 104 V CA -0.844 61.453 62.300 -0.005 0.000 1.008 104 V CB 2.403 34.112 31.823 -0.190 0.000 1.064 104 V HN 0.693 nan 8.190 nan 0.000 0.434 105 R N 2.818 123.393 120.500 0.124 0.000 2.221 105 R HA 0.484 4.824 4.340 -0.000 0.000 0.327 105 R C -1.604 174.881 176.300 0.308 0.000 1.033 105 R CA -0.181 56.029 56.100 0.184 0.000 0.887 105 R CB 1.095 31.493 30.300 0.163 0.000 1.057 105 R HN 0.483 nan 8.270 nan 0.000 0.455 106 F N 1.384 121.416 119.950 0.136 0.000 2.605 106 F HA 0.315 4.842 4.527 -0.000 0.000 0.320 106 F C -0.325 175.561 175.800 0.145 0.000 1.159 106 F CA -0.873 57.193 58.000 0.110 0.000 0.999 106 F CB 1.313 40.253 39.000 -0.100 0.000 1.258 106 F HN 0.733 nan 8.300 nan 0.000 0.464 107 A N 3.721 126.462 122.820 -0.132 0.000 2.745 107 A HA 0.207 4.527 4.320 -0.000 0.000 0.296 107 A C 1.714 179.257 177.584 -0.069 0.000 1.500 107 A CA 1.604 53.483 52.037 -0.263 0.000 0.766 107 A CB -2.168 16.424 19.000 -0.680 0.000 1.030 107 A HN 2.813 nan 8.150 nan 0.000 0.489 108 G N -2.178 106.637 108.800 0.025 0.000 2.155 108 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.257 108 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.257 108 G C -0.112 174.804 174.900 0.027 0.000 0.983 108 G CA 1.273 46.392 45.100 0.032 0.000 0.676 108 G HN 1.395 nan 8.290 nan 0.000 0.528 109 E N -1.001 119.233 120.200 0.057 0.000 2.446 109 E HA 0.484 4.834 4.350 -0.000 0.000 0.276 109 E C -0.544 176.071 176.600 0.025 0.000 0.969 109 E CA -1.077 55.316 56.400 -0.011 0.000 0.800 109 E CB 1.420 31.041 29.700 -0.132 0.000 1.341 109 E HN 0.181 nan 8.360 nan 0.000 0.460 110 K N 1.703 122.034 120.400 -0.113 0.000 2.248 110 K HA 0.360 4.680 4.320 -0.000 0.000 0.281 110 K C -0.717 175.709 176.600 -0.291 0.000 1.054 110 K CA -0.304 55.918 56.287 -0.108 0.000 0.903 110 K CB 0.700 33.142 32.500 -0.096 0.000 1.077 110 K HN 0.364 nan 8.250 nan 0.000 0.474 111 H N 1.143 120.086 119.070 -0.211 0.000 2.600 111 H HA 0.286 4.842 4.556 -0.000 0.000 0.357 111 H C -0.904 174.075 175.328 -0.583 0.000 1.106 111 H CA -0.821 54.962 56.048 -0.443 0.000 1.193 111 H CB 2.076 31.510 29.762 -0.547 0.000 1.594 111 H HN 0.193 nan 8.280 nan 0.000 0.526 112 V N 4.663 124.276 119.914 -0.503 0.000 2.417 112 V HA 0.275 4.395 4.120 -0.000 0.000 0.291 112 V C -0.707 175.088 176.094 -0.498 0.000 1.024 112 V CA -0.506 61.560 62.300 -0.390 0.000 0.861 112 V CB 0.821 32.524 31.823 -0.200 0.000 0.985 112 V HN 0.447 nan 8.190 nan 0.000 0.436 113 F N 2.388 122.346 119.950 0.013 0.000 2.507 113 F HA 0.540 5.067 4.527 -0.000 0.000 0.325 113 F C 0.713 176.547 175.800 0.058 0.000 1.116 113 F CA -0.711 57.317 58.000 0.046 0.000 0.930 113 F CB 2.082 41.115 39.000 0.055 0.000 1.146 113 F HN 0.531 nan 8.300 nan 0.000 0.447 114 S N 1.555 117.407 115.700 0.253 0.000 2.584 114 S HA 0.443 4.913 4.470 -0.000 0.000 0.270 114 S C 1.234 175.948 174.600 0.190 0.000 1.346 114 S CA -0.208 58.096 58.200 0.172 0.000 1.018 114 S CB 1.298 64.580 63.200 0.136 0.000 0.899 114 S HN 0.864 nan 8.310 nan 0.000 0.542 115 A N 2.270 125.185 122.820 0.159 0.000 1.917 115 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 115 A C 2.287 179.962 177.584 0.152 0.000 1.182 115 A CA 2.306 54.441 52.037 0.164 0.000 0.633 115 A CB -2.020 17.070 19.000 0.150 0.000 0.819 115 A HN 0.938 nan 8.150 nan 0.000 0.448 116 T N -0.054 114.581 114.554 0.135 0.000 2.720 116 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 116 T C 2.058 176.832 174.700 0.123 0.000 1.037 116 T CA 1.751 63.926 62.100 0.125 0.000 1.144 116 T CB -0.294 68.642 68.868 0.115 0.000 0.864 116 T HN 0.637 nan 8.240 nan 0.000 0.444 117 Q N 0.300 120.183 119.800 0.138 0.000 2.050 117 Q HA -0.012 4.328 4.340 -0.000 0.000 0.202 117 Q C 2.462 178.504 176.000 0.068 0.000 0.980 117 Q CA 1.170 57.044 55.803 0.119 0.000 0.840 117 Q CB -0.402 28.454 28.738 0.196 0.000 0.898 117 Q HN 0.468 nan 8.270 nan 0.000 0.424 118 L N 0.083 121.372 121.223 0.110 0.000 2.017 118 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 118 L C 2.535 179.470 176.870 0.108 0.000 1.073 118 L CA 1.090 55.991 54.840 0.101 0.000 0.745 118 L CB -0.623 41.547 42.059 0.186 0.000 0.894 118 L HN 0.220 nan 8.230 nan 0.000 0.432 119 A N -0.028 122.872 122.820 0.133 0.000 1.908 119 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 119 A C 2.514 180.189 177.584 0.152 0.000 1.181 119 A CA 1.824 53.954 52.037 0.156 0.000 0.627 119 A CB -0.775 18.315 19.000 0.150 0.000 0.818 119 A HN 0.424 nan 8.150 nan 0.000 0.445 120 A N -0.452 122.430 122.820 0.102 0.000 1.972 120 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 120 A C 2.231 179.835 177.584 0.035 0.000 1.169 120 A CA 1.784 53.862 52.037 0.068 0.000 0.635 120 A CB -0.572 18.463 19.000 0.058 0.000 0.810 120 A HN 0.575 nan 8.150 nan 0.000 0.446 121 M N -2.215 117.394 119.600 0.014 0.000 2.117 121 M HA -0.067 4.413 4.480 -0.000 0.000 0.262 121 M C 2.175 178.476 176.300 0.002 0.000 1.065 121 M CA 1.687 56.963 55.300 -0.041 0.000 1.114 121 M CB -0.493 32.032 32.600 -0.124 0.000 1.361 121 M HN 0.505 nan 8.290 nan 0.000 0.408 122 F N 1.486 121.400 119.950 -0.060 0.000 2.163 122 F HA -0.077 4.450 4.527 -0.000 0.000 0.297 122 F C 1.991 177.787 175.800 -0.006 0.000 1.094 122 F CA 1.304 59.279 58.000 -0.042 0.000 1.290 122 F CB -0.186 38.798 39.000 -0.027 0.000 1.017 122 F HN -0.060 nan 8.300 nan 0.000 0.483 123 I N -0.012 120.543 120.570 -0.026 0.000 2.286 123 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 123 I C 2.069 178.130 176.117 -0.093 0.000 1.115 123 I CA 1.474 62.737 61.300 -0.062 0.000 1.392 123 I CB -0.559 37.475 38.000 0.056 0.000 1.065 123 I HN 0.097 nan 8.210 nan 0.000 0.418 124 D N 1.038 121.390 120.400 -0.080 0.000 2.117 124 D HA -0.206 4.434 4.640 -0.000 0.000 0.198 124 D C 2.068 178.288 176.300 -0.133 0.000 0.982 124 D CA 1.211 55.165 54.000 -0.077 0.000 0.828 124 D CB 0.056 40.824 40.800 -0.054 0.000 0.967 124 D HN 0.028 nan 8.370 nan 0.000 0.464 125 K N 0.163 120.445 120.400 -0.196 0.000 2.026 125 K HA -0.050 4.270 4.320 -0.000 0.000 0.208 125 K C 1.966 178.404 176.600 -0.270 0.000 1.048 125 K CA 0.948 57.101 56.287 -0.223 0.000 0.929 125 K CB -0.773 31.578 32.500 -0.248 0.000 0.713 125 K HN -0.004 nan 8.250 nan 0.000 0.439 126 V N 1.184 120.862 119.914 -0.393 0.000 2.515 126 V HA -0.179 3.941 4.120 -0.000 0.000 0.250 126 V C 2.426 178.368 176.094 -0.253 0.000 1.058 126 V CA 1.868 63.966 62.300 -0.337 0.000 1.064 126 V CB -0.381 31.155 31.823 -0.479 0.000 0.675 126 V HN 0.450 nan 8.190 nan 0.000 0.461 127 K N 0.050 120.334 120.400 -0.193 0.000 2.002 127 K HA -0.266 4.054 4.320 -0.000 0.000 0.209 127 K C 1.938 178.395 176.600 -0.239 0.000 1.048 127 K CA 2.232 58.379 56.287 -0.233 0.000 0.930 127 K CB -0.333 32.121 32.500 -0.077 0.000 0.714 127 K HN 0.494 nan 8.250 nan 0.000 0.438 128 D N -0.293 120.003 120.400 -0.173 0.000 2.158 128 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 128 D C 1.459 177.662 176.300 -0.162 0.000 0.995 128 D CA 1.806 55.719 54.000 -0.145 0.000 0.846 128 D CB -0.025 40.707 40.800 -0.114 0.000 0.941 128 D HN 0.243 nan 8.370 nan 0.000 0.456 129 T N -0.799 113.643 114.554 -0.186 0.000 2.684 129 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 129 T C 2.076 176.654 174.700 -0.202 0.000 1.036 129 T CA 1.340 63.336 62.100 -0.173 0.000 1.148 129 T CB -0.435 68.333 68.868 -0.167 0.000 0.863 129 T HN 0.008 nan 8.240 nan 0.000 0.436 130 V N 2.555 122.283 119.914 -0.310 0.000 2.343 130 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 130 V C 2.425 178.368 176.094 -0.251 0.000 1.051 130 V CA 1.830 63.910 62.300 -0.366 0.000 1.036 130 V CB -0.606 30.769 31.823 -0.746 0.000 0.654 130 V HN 0.666 nan 8.190 nan 0.000 0.451 131 K N -0.223 120.046 120.400 -0.218 0.000 2.305 131 K HA -0.063 4.257 4.320 -0.000 0.000 0.199 131 K C 1.935 178.470 176.600 -0.108 0.000 1.047 131 K CA 0.822 57.021 56.287 -0.147 0.000 0.976 131 K CB -0.227 32.199 32.500 -0.123 0.000 0.765 131 K HN 0.417 nan 8.250 nan 0.000 0.474 132 Q N 1.185 120.920 119.800 -0.109 0.000 2.167 132 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 132 Q C 1.316 177.269 176.000 -0.078 0.000 0.970 132 Q CA 1.842 57.595 55.803 -0.084 0.000 0.855 132 Q CB -0.041 28.649 28.738 -0.080 0.000 0.911 132 Q HN 0.454 nan 8.270 nan 0.000 0.438 133 D N -0.349 119.996 120.400 -0.092 0.000 2.162 133 D HA -0.106 4.534 4.640 -0.000 0.000 0.203 133 D C 1.875 178.134 176.300 -0.070 0.000 0.967 133 D CA 1.675 55.628 54.000 -0.078 0.000 0.840 133 D CB 0.271 41.018 40.800 -0.088 0.000 0.972 133 D HN 0.252 nan 8.370 nan 0.000 0.482 134 T N -3.081 111.424 114.554 -0.082 0.000 3.054 134 T HA 0.073 4.423 4.350 -0.000 0.000 0.259 134 T C 1.056 175.724 174.700 -0.054 0.000 1.092 134 T CA 0.077 62.137 62.100 -0.067 0.000 1.121 134 T CB 0.131 68.952 68.868 -0.078 0.000 0.912 134 T HN -0.059 nan 8.240 nan 0.000 0.489 135 K N 0.372 120.737 120.400 -0.058 0.000 3.349 135 K HA -0.121 4.199 4.320 -0.000 0.000 0.310 135 K C 0.365 176.939 176.600 -0.043 0.000 1.267 135 K CA 0.938 57.197 56.287 -0.047 0.000 0.920 135 K CB -2.460 30.018 32.500 -0.037 0.000 1.240 135 K HN 0.797 nan 8.250 nan 0.000 0.453 136 A N -0.071 122.719 122.820 -0.050 0.000 2.282 136 A HA 0.697 5.017 4.320 -0.000 0.000 0.324 136 A C 0.392 177.948 177.584 -0.047 0.000 1.119 136 A CA 0.269 52.281 52.037 -0.042 0.000 0.880 136 A CB 0.530 19.507 19.000 -0.038 0.000 1.294 136 A HN 0.425 nan 8.150 nan 0.000 0.493 137 N N 0.326 119.007 118.700 -0.033 0.000 2.472 137 N HA 0.525 5.265 4.740 -0.000 0.000 0.277 137 N C -0.655 174.839 175.510 -0.027 0.000 1.081 137 N CA -0.324 52.709 53.050 -0.029 0.000 0.973 137 N CB 0.378 38.856 38.487 -0.015 0.000 1.105 137 N HN 0.472 nan 8.380 nan 0.000 0.470 138 I N 2.470 123.021 120.570 -0.032 0.000 2.382 138 I HA 0.328 4.498 4.170 -0.000 0.000 0.285 138 I C 1.277 177.407 176.117 0.022 0.000 1.007 138 I CA -0.403 60.888 61.300 -0.016 0.000 1.142 138 I CB 0.626 38.574 38.000 -0.087 0.000 1.289 138 I HN 0.835 nan 8.210 nan 0.000 0.453 139 T N 0.308 114.889 114.554 0.045 0.000 3.019 139 T HA 0.231 4.581 4.350 -0.000 0.000 0.247 139 T C 0.404 175.140 174.700 0.060 0.000 0.992 139 T CA -0.002 62.125 62.100 0.046 0.000 1.036 139 T CB 0.473 69.359 68.868 0.030 0.000 1.063 139 T HN 0.299 nan 8.240 nan 0.000 0.476 140 D N 1.091 121.534 120.400 0.071 0.000 2.181 140 D HA 0.667 5.307 4.640 -0.000 0.000 0.248 140 D C -1.177 175.167 176.300 0.073 0.000 1.020 140 D CA -0.374 53.656 54.000 0.051 0.000 0.891 140 D CB 2.492 43.310 40.800 0.031 0.000 1.187 140 D HN 0.181 nan 8.370 nan 0.000 0.443 141 V N 1.029 120.931 119.914 -0.020 0.000 2.841 141 V HA 0.373 4.493 4.120 -0.000 0.000 0.310 141 V C -1.271 174.706 176.094 -0.196 0.000 1.090 141 V CA -0.690 61.513 62.300 -0.163 0.000 0.930 141 V CB 2.047 33.725 31.823 -0.241 0.000 1.014 141 V HN 0.793 nan 8.190 nan 0.000 0.425 142 C N 7.845 126.998 119.300 -0.244 0.000 2.281 142 C HA 0.677 5.137 4.460 -0.000 0.000 0.325 142 C C -0.199 174.656 174.990 -0.226 0.000 1.282 142 C CA -0.658 58.246 59.018 -0.189 0.000 1.640 142 C CB -0.933 26.743 27.740 -0.106 0.000 2.288 142 C HN 0.748 nan 8.230 nan 0.000 0.507 143 I N 6.183 126.648 120.570 -0.176 0.000 2.321 143 I HA 0.430 4.600 4.170 -0.000 0.000 0.291 143 I C 0.714 176.749 176.117 -0.137 0.000 0.998 143 I CA -0.085 61.115 61.300 -0.167 0.000 1.227 143 I CB 1.416 39.338 38.000 -0.131 0.000 1.368 143 I HN 0.798 nan 8.210 nan 0.000 0.466 144 A N 7.272 130.004 122.820 -0.146 0.000 2.309 144 A HA 0.651 4.971 4.320 -0.000 0.000 0.290 144 A C -0.149 177.299 177.584 -0.226 0.000 1.206 144 A CA -0.392 51.554 52.037 -0.151 0.000 0.850 144 A CB 0.446 19.369 19.000 -0.129 0.000 1.118 144 A HN 0.614 nan 8.150 nan 0.000 0.523 145 V N 0.178 119.915 119.914 -0.295 0.000 3.046 145 V HA 0.803 4.923 4.120 -0.000 0.000 0.316 145 V C -3.024 172.742 176.094 -0.547 0.000 1.104 145 V CA -2.930 59.030 62.300 -0.567 0.000 1.006 145 V CB 1.672 33.056 31.823 -0.731 0.000 1.058 145 V HN 0.608 nan 8.190 nan 0.000 0.440 146 P HA 0.340 nan 4.420 nan 0.000 0.271 146 P C -2.424 174.556 177.300 -0.532 0.000 1.218 146 P CA -1.596 61.086 63.100 -0.697 0.000 0.780 146 P CB 0.115 31.056 31.700 -1.265 0.000 0.901 147 P HA -0.095 nan 4.420 nan 0.000 0.223 147 P C 1.132 178.478 177.300 0.076 0.000 1.151 147 P CA 1.133 64.213 63.100 -0.033 0.000 0.787 147 P CB -0.427 31.302 31.700 0.048 0.000 0.788 148 W N -2.478 118.895 121.300 0.121 0.000 2.595 148 W HA 0.023 4.683 4.660 -0.000 0.000 0.257 148 W C -0.200 176.445 176.519 0.211 0.000 1.267 148 W CA -0.456 56.973 57.345 0.140 0.000 1.300 148 W CB -1.661 27.853 29.460 0.090 0.000 1.120 148 W HN -0.107 nan 8.180 nan 0.000 0.618 149 Y N 3.302 123.447 120.300 -0.258 0.000 2.805 149 Y HA -0.034 4.516 4.550 -0.000 0.000 0.331 149 Y C 1.393 177.316 175.900 0.037 0.000 1.241 149 Y CA 0.402 58.387 58.100 -0.192 0.000 1.546 149 Y CB 0.166 38.426 38.460 -0.333 0.000 1.248 149 Y HN -0.287 nan 8.280 nan 0.000 0.559 150 T N 3.843 118.429 114.554 0.053 0.000 2.856 150 T HA -0.033 4.317 4.350 -0.000 0.000 0.306 150 T C 1.457 176.184 174.700 0.045 0.000 1.062 150 T CA -0.118 62.012 62.100 0.051 0.000 1.083 150 T CB 0.611 69.455 68.868 -0.041 0.000 0.984 150 T HN 0.825 nan 8.240 nan 0.000 0.542 151 E N 1.389 121.675 120.200 0.144 0.000 2.086 151 E HA -0.229 4.121 4.350 -0.000 0.000 0.200 151 E C 1.966 178.696 176.600 0.216 0.000 1.012 151 E CA 2.093 58.632 56.400 0.232 0.000 0.812 151 E CB -0.026 29.937 29.700 0.438 0.000 0.743 151 E HN 0.779 nan 8.360 nan 0.000 0.453 152 E N -0.110 119.984 120.200 -0.176 0.000 2.038 152 E HA -0.301 4.049 4.350 -0.000 0.000 0.195 152 E C 2.230 178.743 176.600 -0.145 0.000 1.000 152 E CA 1.665 57.767 56.400 -0.497 0.000 0.803 152 E CB -0.062 28.916 29.700 -1.203 0.000 0.750 152 E HN 0.399 nan 8.360 nan 0.000 0.448 153 Q N -0.227 119.428 119.800 -0.242 0.000 2.135 153 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 153 Q C 2.305 178.220 176.000 -0.141 0.000 0.981 153 Q CA 1.469 57.049 55.803 -0.372 0.000 0.856 153 Q CB -0.061 28.108 28.738 -0.948 0.000 0.902 153 Q HN 0.216 nan 8.270 nan 0.000 0.425 154 R N -0.592 119.909 120.500 0.002 0.000 2.075 154 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 154 R C 1.979 178.291 176.300 0.021 0.000 1.126 154 R CA 1.419 57.563 56.100 0.073 0.000 0.963 154 R CB -0.312 29.991 30.300 0.004 0.000 0.858 154 R HN 0.301 nan 8.270 nan 0.000 0.435 155 Y N 1.223 121.565 120.300 0.070 0.000 2.097 155 Y HA -0.265 4.285 4.550 -0.000 0.000 0.282 155 Y C 2.040 177.986 175.900 0.076 0.000 1.152 155 Y CA 1.922 60.078 58.100 0.094 0.000 1.136 155 Y CB -0.382 38.176 38.460 0.164 0.000 0.975 155 Y HN 0.208 nan 8.280 nan 0.000 0.498 156 N N -0.201 118.624 118.700 0.210 0.000 2.036 156 N HA -0.247 4.493 4.740 -0.000 0.000 0.195 156 N C 1.662 177.250 175.510 0.130 0.000 1.037 156 N CA 1.421 54.554 53.050 0.138 0.000 0.855 156 N CB -0.353 38.176 38.487 0.069 0.000 1.033 156 N HN 0.158 nan 8.380 nan 0.000 0.423 157 I N 1.153 121.804 120.570 0.135 0.000 2.394 157 I HA -0.146 4.024 4.170 -0.000 0.000 0.251 157 I C 2.132 178.303 176.117 0.089 0.000 1.136 157 I CA 0.560 61.941 61.300 0.136 0.000 1.425 157 I CB -0.368 37.751 38.000 0.199 0.000 1.079 157 I HN 0.109 nan 8.210 nan 0.000 0.425 158 A N -0.330 122.534 122.820 0.073 0.000 1.902 158 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 158 A C 2.050 179.678 177.584 0.073 0.000 1.181 158 A CA 2.009 54.075 52.037 0.047 0.000 0.623 158 A CB -0.734 18.276 19.000 0.016 0.000 0.818 158 A HN 0.416 nan 8.150 nan 0.000 0.443 159 D N -0.020 120.445 120.400 0.108 0.000 2.178 159 D HA -0.012 4.628 4.640 -0.000 0.000 0.202 159 D C 2.222 178.575 176.300 0.089 0.000 0.974 159 D CA 1.291 55.354 54.000 0.106 0.000 0.841 159 D CB -0.326 40.549 40.800 0.126 0.000 0.953 159 D HN 0.418 nan 8.370 nan 0.000 0.478 160 A N 1.239 124.114 122.820 0.092 0.000 1.902 160 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 160 A C 2.347 179.973 177.584 0.069 0.000 1.181 160 A CA 2.163 54.252 52.037 0.086 0.000 0.623 160 A CB -0.661 18.400 19.000 0.101 0.000 0.818 160 A HN 0.234 nan 8.150 nan 0.000 0.443 161 A N -0.068 122.787 122.820 0.058 0.000 1.908 161 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 161 A C 2.254 179.865 177.584 0.045 0.000 1.181 161 A CA 1.620 53.683 52.037 0.042 0.000 0.627 161 A CB -0.499 18.511 19.000 0.017 0.000 0.818 161 A HN 0.579 nan 8.150 nan 0.000 0.445 162 R N -0.624 119.906 120.500 0.049 0.000 2.073 162 R HA -0.070 4.270 4.340 -0.000 0.000 0.234 162 R C 1.989 178.318 176.300 0.049 0.000 1.134 162 R CA 1.617 57.747 56.100 0.049 0.000 0.952 162 R CB -0.604 29.730 30.300 0.056 0.000 0.850 162 R HN 0.573 nan 8.270 nan 0.000 0.433 163 I N 0.902 121.506 120.570 0.055 0.000 2.335 163 I HA -0.251 3.919 4.170 -0.000 0.000 0.251 163 I C 2.192 178.334 176.117 0.041 0.000 1.129 163 I CA 1.276 62.608 61.300 0.053 0.000 1.402 163 I CB -0.250 37.787 38.000 0.062 0.000 1.069 163 I HN 0.182 nan 8.210 nan 0.000 0.424 164 A N 0.281 123.124 122.820 0.039 0.000 2.251 164 A HA 0.374 4.694 4.320 -0.000 0.000 0.209 164 A C 1.751 179.352 177.584 0.029 0.000 1.187 164 A CA 0.620 52.674 52.037 0.028 0.000 0.823 164 A CB -0.623 18.395 19.000 0.031 0.000 0.846 164 A HN 0.562 nan 8.150 nan 0.000 0.486 165 G N -1.074 107.745 108.800 0.033 0.000 2.160 165 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.244 165 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.244 165 G C -0.133 174.788 174.900 0.036 0.000 1.022 165 G CA 0.423 45.541 45.100 0.030 0.000 0.741 165 G HN 0.472 nan 8.290 nan 0.000 0.508 166 L N -0.491 120.758 121.223 0.043 0.000 2.342 166 L HA 0.543 4.883 4.340 -0.000 0.000 0.271 166 L C 0.220 177.109 176.870 0.032 0.000 1.008 166 L CA -1.350 53.520 54.840 0.049 0.000 0.818 166 L CB 1.761 43.863 42.059 0.071 0.000 1.296 166 L HN 0.105 nan 8.230 nan 0.000 0.427 167 N N 3.388 122.103 118.700 0.025 0.000 2.406 167 N HA 0.217 4.957 4.740 -0.000 0.000 0.251 167 N C -2.423 173.076 175.510 -0.019 0.000 1.069 167 N CA -1.681 51.375 53.050 0.009 0.000 0.947 167 N CB 0.925 39.418 38.487 0.010 0.000 1.111 167 N HN 0.189 nan 8.380 nan 0.000 0.497 168 P HA 0.005 nan 4.420 nan 0.000 0.268 168 P C 0.642 177.879 177.300 -0.104 0.000 1.485 168 P CA -0.052 63.011 63.100 -0.062 0.000 1.102 168 P CB 0.968 32.646 31.700 -0.036 0.000 1.501 169 V N 3.662 123.480 119.914 -0.160 0.000 2.591 169 V HA -0.015 4.105 4.120 -0.000 0.000 0.249 169 V C 1.234 177.051 176.094 -0.462 0.000 1.053 169 V CA 1.492 63.621 62.300 -0.285 0.000 1.068 169 V CB -0.363 31.296 31.823 -0.273 0.000 0.689 169 V HN 0.511 nan 8.190 nan 0.000 0.462 170 R N -1.071 119.238 120.500 -0.319 0.000 2.594 170 R HA 0.373 4.713 4.340 -0.000 0.000 0.265 170 R C -2.036 174.204 176.300 -0.099 0.000 1.070 170 R CA -0.748 55.238 56.100 -0.189 0.000 0.909 170 R CB 1.618 31.840 30.300 -0.129 0.000 1.243 170 R HN 0.122 nan 8.270 nan 0.000 0.455 171 I N 3.611 124.146 120.570 -0.058 0.000 2.306 171 I HA 0.258 4.428 4.170 -0.000 0.000 0.288 171 I C -0.199 175.926 176.117 0.015 0.000 1.036 171 I CA -0.296 60.979 61.300 -0.041 0.000 1.221 171 I CB 1.477 39.450 38.000 -0.045 0.000 1.385 171 I HN 0.264 nan 8.210 nan 0.000 0.472 172 V N 7.337 127.259 119.914 0.014 0.000 2.612 172 V HA 0.441 4.561 4.120 -0.000 0.000 0.301 172 V C 0.231 176.332 176.094 0.010 0.000 1.046 172 V CA -0.711 61.634 62.300 0.074 0.000 0.946 172 V CB 1.752 33.633 31.823 0.096 0.000 1.003 172 V HN 0.763 nan 8.190 nan 0.000 0.459 173 N N 3.854 122.587 118.700 0.055 0.000 2.483 173 N HA 0.041 4.781 4.740 -0.000 0.000 0.264 173 N C 0.397 175.866 175.510 -0.068 0.000 1.197 173 N CA 0.240 53.282 53.050 -0.013 0.000 0.927 173 N CB 0.797 39.312 38.487 0.045 0.000 1.065 173 N HN 0.855 nan 8.380 nan 0.000 0.461 174 D N 1.747 122.077 120.400 -0.116 0.000 2.097 174 D HA -0.179 4.461 4.640 -0.000 0.000 0.195 174 D C 1.577 177.807 176.300 -0.118 0.000 0.989 174 D CA 0.997 54.924 54.000 -0.120 0.000 0.827 174 D CB -0.535 40.186 40.800 -0.132 0.000 0.966 174 D HN 0.320 nan 8.370 nan 0.000 0.456 175 V N 0.323 120.177 119.914 -0.101 0.000 2.809 175 V HA -0.149 3.971 4.120 -0.000 0.000 0.256 175 V C 1.965 177.911 176.094 -0.248 0.000 1.080 175 V CA 2.123 64.341 62.300 -0.138 0.000 1.102 175 V CB -0.717 31.080 31.823 -0.044 0.000 0.705 175 V HN 0.264 nan 8.190 nan 0.000 0.475 176 T N 0.819 115.269 114.554 -0.173 0.000 2.708 176 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 176 T C 2.049 176.578 174.700 -0.284 0.000 1.037 176 T CA 1.692 63.675 62.100 -0.195 0.000 1.146 176 T CB -0.538 68.288 68.868 -0.070 0.000 0.865 176 T HN 0.673 nan 8.240 nan 0.000 0.435 177 A N 1.470 124.153 122.820 -0.228 0.000 1.940 177 A HA 0.085 4.405 4.320 -0.000 0.000 0.219 177 A C 2.616 180.050 177.584 -0.250 0.000 1.176 177 A CA 1.906 53.800 52.037 -0.238 0.000 0.631 177 A CB -1.058 17.854 19.000 -0.147 0.000 0.814 177 A HN 0.519 nan 8.150 nan 0.000 0.446 178 A N -0.662 122.005 122.820 -0.254 0.000 1.969 178 A HA 0.168 4.488 4.320 -0.000 0.000 0.218 178 A C 2.328 179.692 177.584 -0.366 0.000 1.169 178 A CA 1.753 53.636 52.037 -0.257 0.000 0.635 178 A CB -1.158 17.710 19.000 -0.219 0.000 0.810 178 A HN 0.702 nan 8.150 nan 0.000 0.445 179 G N -0.677 107.783 108.800 -0.566 0.000 2.408 179 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.217 179 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.217 179 G C 1.472 176.369 174.900 -0.005 0.000 1.150 179 G CA 1.083 45.927 45.100 -0.426 0.000 0.776 179 G HN 0.284 nan 8.290 nan 0.000 0.542 180 V N 1.806 121.565 119.914 -0.258 0.000 2.295 180 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 180 V C 3.293 179.092 176.094 -0.491 0.000 1.049 180 V CA 2.413 64.435 62.300 -0.464 0.000 1.024 180 V CB -0.451 31.003 31.823 -0.615 0.000 0.648 180 V HN 0.616 nan 8.190 nan 0.000 0.447 181 S N -0.713 114.809 115.700 -0.297 0.000 2.382 181 S HA -0.295 4.175 4.470 -0.000 0.000 0.228 181 S C 2.014 176.568 174.600 -0.076 0.000 1.027 181 S CA 1.781 59.843 58.200 -0.231 0.000 0.991 181 S CB -0.825 62.273 63.200 -0.170 0.000 0.823 181 S HN 0.639 nan 8.310 nan 0.000 0.469 182 Y N 2.610 122.862 120.300 -0.080 0.000 2.128 182 Y HA -0.007 4.543 4.550 -0.000 0.000 0.284 182 Y C 2.564 178.430 175.900 -0.057 0.000 1.154 182 Y CA 1.600 59.723 58.100 0.038 0.000 1.149 182 Y CB -1.008 37.508 38.460 0.093 0.000 0.976 182 Y HN 0.341 nan 8.280 nan 0.000 0.505 183 G N 0.585 109.476 108.800 0.151 0.000 2.418 183 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 183 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 183 G C 1.600 176.354 174.900 -0.244 0.000 1.158 183 G CA 1.217 46.395 45.100 0.130 0.000 0.771 183 G HN 0.669 nan 8.290 nan 0.000 0.545 184 I N -2.620 117.580 120.570 -0.617 0.000 2.928 184 I HA 0.258 4.428 4.170 -0.000 0.000 0.266 184 I C 2.252 178.240 176.117 -0.216 0.000 1.234 184 I CA 0.785 61.773 61.300 -0.520 0.000 1.483 184 I CB -0.133 37.316 38.000 -0.918 0.000 1.097 184 I HN 0.115 nan 8.210 nan 0.000 0.455 185 F N 1.935 121.685 119.950 -0.334 0.000 2.559 185 F HA 0.395 4.922 4.527 -0.000 0.000 0.286 185 F C 1.039 176.668 175.800 -0.285 0.000 1.108 185 F CA -0.165 57.672 58.000 -0.272 0.000 1.436 185 F CB 0.161 39.007 39.000 -0.256 0.000 1.130 185 F HN -0.270 nan 8.300 nan 0.000 0.584 186 K N 1.576 121.539 120.400 -0.728 0.000 2.298 186 K HA 0.184 4.504 4.320 -0.000 0.000 0.280 186 K C 0.858 177.193 176.600 -0.442 0.000 1.032 186 K CA 0.638 56.444 56.287 -0.800 0.000 0.958 186 K CB 0.886 32.856 32.500 -0.883 0.000 0.978 186 K HN 0.342 nan 8.250 nan 0.000 0.472 187 T N -2.785 111.535 114.554 -0.389 0.000 3.044 187 T HA 0.096 4.446 4.350 -0.000 0.000 0.260 187 T C 0.825 175.435 174.700 -0.150 0.000 1.019 187 T CA 0.263 62.229 62.100 -0.223 0.000 0.921 187 T CB 0.009 68.755 68.868 -0.203 0.000 1.053 187 T HN 0.536 nan 8.240 nan 0.000 0.533 188 D N 1.408 121.712 120.400 -0.160 0.000 2.593 188 D HA 0.597 5.237 4.640 -0.000 0.000 0.241 188 D C 0.422 176.696 176.300 -0.043 0.000 1.257 188 D CA -0.498 53.446 54.000 -0.093 0.000 0.828 188 D CB -0.361 40.378 40.800 -0.102 0.000 1.049 188 D HN 0.448 nan 8.370 nan 0.000 0.490 189 L N 0.170 121.380 121.223 -0.023 0.000 2.439 189 L HA 0.375 4.715 4.340 -0.000 0.000 0.269 189 L C -1.984 174.924 176.870 0.063 0.000 1.179 189 L CA -1.710 53.160 54.840 0.049 0.000 0.828 189 L CB 0.824 42.946 42.059 0.105 0.000 1.106 189 L HN 0.050 nan 8.230 nan 0.000 0.467 190 P HA 0.038 nan 4.420 nan 0.000 0.267 190 P C -0.399 176.939 177.300 0.063 0.000 1.200 190 P CA 0.023 63.166 63.100 0.072 0.000 0.772 190 P CB 0.904 32.656 31.700 0.086 0.000 0.855 191 E N 1.178 121.404 120.200 0.043 0.000 3.277 191 E HA 0.272 4.622 4.350 -0.000 0.000 0.426 191 E C 1.955 178.571 176.600 0.028 0.000 0.326 191 E CA 0.660 57.080 56.400 0.034 0.000 2.454 191 E CB -0.796 28.918 29.700 0.024 0.000 2.219 191 E HN 0.451 nan 8.360 nan 0.000 0.459 192 G N -0.546 108.265 108.800 0.019 0.000 2.486 192 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.210 192 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.210 192 G C 1.467 176.375 174.900 0.013 0.000 1.168 192 G CA 0.759 45.867 45.100 0.013 0.000 0.820 192 G HN 0.315 nan 8.290 nan 0.000 0.544 193 E N 0.921 121.130 120.200 0.015 0.000 2.060 193 E HA 0.056 4.406 4.350 -0.000 0.000 0.189 193 E C 0.857 177.468 176.600 0.018 0.000 0.974 193 E CA 0.090 56.498 56.400 0.014 0.000 0.808 193 E CB -0.179 29.528 29.700 0.012 0.000 0.768 193 E HN 0.501 nan 8.360 nan 0.000 0.453 194 E N 0.977 121.191 120.200 0.023 0.000 2.437 194 E HA 0.168 4.518 4.350 -0.000 0.000 0.263 194 E C -0.050 176.571 176.600 0.034 0.000 1.030 194 E CA 0.413 56.829 56.400 0.028 0.000 0.934 194 E CB 0.246 29.966 29.700 0.034 0.000 0.943 194 E HN 0.245 nan 8.360 nan 0.000 0.444 195 K N 3.812 124.231 120.400 0.033 0.000 2.489 195 K HA 0.089 4.409 4.320 -0.000 0.000 0.278 195 K C -2.236 174.397 176.600 0.055 0.000 1.000 195 K CA -1.171 55.138 56.287 0.036 0.000 1.012 195 K CB -0.912 31.606 32.500 0.029 0.000 0.903 195 K HN 0.363 nan 8.250 nan 0.000 0.485 196 P HA 0.068 nan 4.420 nan 0.000 0.269 196 P C -0.621 176.754 177.300 0.125 0.000 1.209 196 P CA -0.260 62.897 63.100 0.095 0.000 0.776 196 P CB 0.529 32.273 31.700 0.073 0.000 0.876 197 R N 2.992 123.611 120.500 0.199 0.000 2.316 197 R HA 0.290 4.629 4.340 -0.000 0.000 0.314 197 R C -0.249 176.216 176.300 0.275 0.000 1.069 197 R CA -0.159 56.081 56.100 0.235 0.000 0.959 197 R CB -0.544 29.934 30.300 0.297 0.000 0.987 197 R HN 0.415 nan 8.270 nan 0.000 0.446 198 I N 5.740 126.409 120.570 0.166 0.000 2.291 198 I HA 0.190 4.360 4.170 -0.000 0.000 0.290 198 I C -0.725 175.443 176.117 0.085 0.000 1.050 198 I CA -0.661 60.721 61.300 0.137 0.000 1.245 198 I CB 1.535 39.573 38.000 0.064 0.000 1.405 198 I HN 0.311 nan 8.210 nan 0.000 0.478 199 V N 6.114 126.098 119.914 0.117 0.000 2.384 199 V HA 0.564 4.684 4.120 -0.000 0.000 0.287 199 V C 0.436 176.381 176.094 -0.248 0.000 1.020 199 V CA -0.696 61.503 62.300 -0.169 0.000 0.850 199 V CB 1.537 33.049 31.823 -0.519 0.000 0.987 199 V HN 0.780 nan 8.190 nan 0.000 0.436 200 A N 5.439 128.040 122.820 -0.365 0.000 2.320 200 A HA 0.788 5.108 4.320 -0.000 0.000 0.287 200 A C -0.790 176.544 177.584 -0.417 0.000 1.181 200 A CA -0.120 51.752 52.037 -0.275 0.000 0.831 200 A CB -0.020 18.725 19.000 -0.425 0.000 1.102 200 A HN 0.646 nan 8.150 nan 0.000 0.513 201 F N 2.168 122.100 119.950 -0.029 0.000 2.427 201 F HA 0.481 5.008 4.527 -0.000 0.000 0.346 201 F C 0.072 175.906 175.800 0.056 0.000 1.120 201 F CA -0.525 57.466 58.000 -0.015 0.000 1.033 201 F CB 2.094 41.089 39.000 -0.009 0.000 1.126 201 F HN 0.252 nan 8.300 nan 0.000 0.462 202 V N 2.551 122.584 119.914 0.198 0.000 2.409 202 V HA 0.326 4.446 4.120 -0.000 0.000 0.291 202 V C -1.017 175.168 176.094 0.151 0.000 1.020 202 V CA -0.608 61.816 62.300 0.207 0.000 0.848 202 V CB 1.704 33.645 31.823 0.197 0.000 0.990 202 V HN 0.613 nan 8.190 nan 0.000 0.430 203 D N 4.964 125.465 120.400 0.168 0.000 2.481 203 D HA 0.539 5.179 4.640 -0.000 0.000 0.246 203 D C -0.830 175.538 176.300 0.114 0.000 1.109 203 D CA -0.216 53.854 54.000 0.117 0.000 0.845 203 D CB 1.192 42.059 40.800 0.112 0.000 1.160 203 D HN 0.440 nan 8.370 nan 0.000 0.534 204 I N 3.435 124.027 120.570 0.037 0.000 2.410 204 I HA 0.558 4.728 4.170 -0.000 0.000 0.286 204 I C 0.945 177.102 176.117 0.066 0.000 1.009 204 I CA -0.756 60.569 61.300 0.042 0.000 1.111 204 I CB 1.932 39.871 38.000 -0.101 0.000 1.262 204 I HN 0.398 nan 8.210 nan 0.000 0.443 205 G N 2.938 111.809 108.800 0.118 0.000 3.019 205 G HA2 0.105 4.064 3.960 -0.000 0.000 0.152 205 G HA3 0.105 4.064 3.960 -0.000 0.000 0.152 205 G C 0.720 175.706 174.900 0.143 0.000 1.320 205 G CA -0.060 45.108 45.100 0.113 0.000 1.013 205 G HN 0.700 nan 8.290 nan 0.000 0.593 206 H N -0.454 118.645 119.070 0.048 0.000 2.462 206 H HA -0.049 4.507 4.556 -0.000 0.000 0.292 206 H C 1.983 177.341 175.328 0.051 0.000 1.049 206 H CA 2.053 58.121 56.048 0.033 0.000 1.334 206 H CB 0.405 30.166 29.762 -0.003 0.000 1.404 206 H HN 0.403 nan 8.280 nan 0.000 0.544 207 S N -1.448 114.307 115.700 0.092 0.000 2.692 207 S HA 0.203 4.673 4.470 -0.000 0.000 0.269 207 S C 0.397 175.094 174.600 0.162 0.000 1.080 207 S CA -0.482 57.749 58.200 0.051 0.000 1.058 207 S CB 0.828 64.076 63.200 0.080 0.000 0.982 207 S HN 0.072 nan 8.310 nan 0.000 0.534 208 S N 0.559 116.408 115.700 0.248 0.000 2.566 208 S HA 0.622 5.092 4.470 -0.000 0.000 0.298 208 S C -1.769 173.043 174.600 0.352 0.000 1.083 208 S CA -0.698 57.695 58.200 0.322 0.000 0.978 208 S CB 1.611 65.097 63.200 0.478 0.000 1.073 208 S HN 0.502 nan 8.310 nan 0.000 0.491 209 Y N 1.557 121.951 120.300 0.157 0.000 2.332 209 Y HA 0.457 5.007 4.550 -0.000 0.000 0.326 209 Y C -1.063 174.870 175.900 0.055 0.000 0.978 209 Y CA -0.566 57.559 58.100 0.043 0.000 1.205 209 Y CB 0.796 39.147 38.460 -0.182 0.000 1.131 209 Y HN 0.524 nan 8.280 nan 0.000 0.462 210 T N 5.969 120.753 114.554 0.383 0.000 2.807 210 T HA 0.277 4.627 4.350 -0.000 0.000 0.279 210 T C -1.210 173.643 174.700 0.254 0.000 0.993 210 T CA -0.401 61.831 62.100 0.219 0.000 0.970 210 T CB 1.025 69.998 68.868 0.175 0.000 0.950 210 T HN 0.704 nan 8.240 nan 0.000 0.441 211 C N 3.207 122.599 119.300 0.154 0.000 2.379 211 C HA 0.831 5.291 4.460 -0.000 0.000 0.323 211 C C -0.008 175.085 174.990 0.171 0.000 1.262 211 C CA -0.257 58.886 59.018 0.209 0.000 1.581 211 C CB 0.190 28.055 27.740 0.209 0.000 2.221 211 C HN 0.825 nan 8.230 nan 0.000 0.497 212 S N 6.272 122.102 115.700 0.216 0.000 2.736 212 S HA 0.629 5.099 4.470 -0.000 0.000 0.285 212 S C -0.951 173.799 174.600 0.251 0.000 1.163 212 S CA -0.537 57.778 58.200 0.191 0.000 1.025 212 S CB 0.319 63.606 63.200 0.145 0.000 1.030 212 S HN 0.662 nan 8.310 nan 0.000 0.486 213 I N 5.400 126.082 120.570 0.187 0.000 2.331 213 I HA 0.476 4.646 4.170 -0.000 0.000 0.292 213 I C -0.049 176.155 176.117 0.144 0.000 0.998 213 I CA -0.242 61.161 61.300 0.172 0.000 1.267 213 I CB 1.018 39.101 38.000 0.138 0.000 1.386 213 I HN 0.609 nan 8.210 nan 0.000 0.476 214 M N 4.725 124.433 119.600 0.181 0.000 2.501 214 M HA 0.687 5.167 4.480 -0.000 0.000 0.293 214 M C -0.602 175.731 176.300 0.055 0.000 1.192 214 M CA -0.717 54.623 55.300 0.066 0.000 0.886 214 M CB 2.731 35.342 32.600 0.018 0.000 1.710 214 M HN 0.602 nan 8.290 nan 0.000 0.457 215 A N 1.960 124.728 122.820 -0.086 0.000 2.304 215 A HA 0.866 5.186 4.320 -0.000 0.000 0.323 215 A C -1.519 175.979 177.584 -0.142 0.000 1.195 215 A CA -0.367 51.665 52.037 -0.008 0.000 0.826 215 A CB 0.327 19.329 19.000 0.004 0.000 1.184 215 A HN 0.692 nan 8.150 nan 0.000 0.496 216 F N 1.826 121.848 119.950 0.120 0.000 2.482 216 F HA 0.539 5.066 4.527 -0.000 0.000 0.331 216 F C 0.606 176.474 175.800 0.114 0.000 1.115 216 F CA -0.088 58.007 58.000 0.158 0.000 0.955 216 F CB 2.282 41.435 39.000 0.256 0.000 1.136 216 F HN 0.491 nan 8.300 nan 0.000 0.452 217 K N 1.463 122.003 120.400 0.233 0.000 2.444 217 K HA 0.326 4.646 4.320 -0.000 0.000 0.252 217 K C -0.968 175.726 176.600 0.157 0.000 0.993 217 K CA -1.382 54.999 56.287 0.155 0.000 0.847 217 K CB 2.525 35.064 32.500 0.066 0.000 1.340 217 K HN 0.435 nan 8.250 nan 0.000 0.446 218 K N 0.585 121.055 120.400 0.117 0.000 2.453 218 K HA -0.048 4.272 4.320 -0.000 0.000 0.280 218 K C 0.601 177.250 176.600 0.081 0.000 1.045 218 K CA 1.512 57.869 56.287 0.117 0.000 1.059 218 K CB -0.137 32.408 32.500 0.075 0.000 0.901 218 K HN 0.842 nan 8.250 nan 0.000 0.475 219 G N 2.650 111.540 108.800 0.150 0.000 2.159 219 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.256 219 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.256 219 G C -0.365 174.216 174.900 -0.531 0.000 0.977 219 G CA 0.792 45.907 45.100 0.026 0.000 0.652 219 G HN 0.707 nan 8.290 nan 0.000 0.531 220 Q N -1.187 118.272 119.800 -0.568 0.000 2.435 220 Q HA 0.750 5.090 4.340 -0.000 0.000 0.282 220 Q C -1.155 174.602 176.000 -0.406 0.000 1.020 220 Q CA -1.146 54.242 55.803 -0.692 0.000 0.820 220 Q CB 2.087 30.635 28.738 -0.316 0.000 1.436 220 Q HN 1.177 nan 8.270 nan 0.000 0.395 221 L N -2.437 118.574 121.223 -0.353 0.000 2.445 221 L HA 0.964 5.304 4.340 -0.000 0.000 0.262 221 L C -1.523 175.226 176.870 -0.201 0.000 0.974 221 L CA -0.503 54.146 54.840 -0.318 0.000 0.822 221 L CB 1.664 43.441 42.059 -0.470 0.000 1.339 221 L HN 0.871 nan 8.230 nan 0.000 0.409 222 K N 2.185 122.455 120.400 -0.217 0.000 2.413 222 K HA 0.776 5.096 4.320 -0.000 0.000 0.257 222 K C -0.539 175.985 176.600 -0.126 0.000 0.946 222 K CA -0.162 56.044 56.287 -0.134 0.000 0.823 222 K CB 1.564 34.007 32.500 -0.094 0.000 1.109 222 K HN 1.533 nan 8.250 nan 0.000 0.427 223 V N 3.632 123.491 119.914 -0.091 0.000 2.488 223 V HA 0.335 4.455 4.120 -0.000 0.000 0.277 223 V C 0.277 176.359 176.094 -0.020 0.000 1.046 223 V CA -0.313 61.957 62.300 -0.050 0.000 0.986 223 V CB 0.719 32.520 31.823 -0.037 0.000 0.989 223 V HN 0.747 nan 8.190 nan 0.000 0.475 224 L N 6.018 127.246 121.223 0.009 0.000 2.357 224 L HA 0.607 4.947 4.340 -0.000 0.000 0.211 224 L C 1.152 178.044 176.870 0.037 0.000 1.075 224 L CA 1.022 55.876 54.840 0.023 0.000 0.830 224 L CB -0.721 41.358 42.059 0.033 0.000 0.996 224 L HN 0.967 nan 8.230 nan 0.000 0.467 225 G N -1.296 107.533 108.800 0.049 0.000 2.768 225 G HA2 0.524 4.484 3.960 -0.000 0.000 0.297 225 G HA3 0.524 4.484 3.960 -0.000 0.000 0.297 225 G C -1.320 173.617 174.900 0.062 0.000 1.430 225 G CA -0.238 44.892 45.100 0.051 0.000 1.030 225 G HN -0.173 nan 8.290 nan 0.000 0.553 226 T N 0.184 114.766 114.554 0.048 0.000 2.921 226 T HA 0.808 5.158 4.350 -0.000 0.000 0.297 226 T C -0.312 174.412 174.700 0.039 0.000 1.013 226 T CA -0.085 62.048 62.100 0.055 0.000 0.990 226 T CB 1.749 70.651 68.868 0.056 0.000 1.023 226 T HN 1.467 nan 8.240 nan 0.000 0.447 227 A N 1.504 124.344 122.820 0.033 0.000 2.475 227 A HA 0.813 5.133 4.320 -0.000 0.000 0.301 227 A C -0.854 176.716 177.584 -0.022 0.000 1.059 227 A CA -0.646 51.391 52.037 0.000 0.000 0.710 227 A CB 1.185 20.161 19.000 -0.039 0.000 1.288 227 A HN 0.937 nan 8.150 nan 0.000 0.408 228 C N 0.670 119.961 119.300 -0.014 0.000 2.712 228 C HA 0.796 5.256 4.460 -0.000 0.000 0.308 228 C C -0.966 173.964 174.990 -0.100 0.000 1.201 228 C CA -0.444 58.576 59.018 0.003 0.000 1.554 228 C CB 1.870 29.741 27.740 0.218 0.000 2.117 228 C HN 0.892 nan 8.230 nan 0.000 0.480 229 D N 1.271 121.589 120.400 -0.137 0.000 2.440 229 D HA 0.209 4.849 4.640 -0.000 0.000 0.252 229 D C 0.625 176.895 176.300 -0.050 0.000 1.180 229 D CA -0.279 53.670 54.000 -0.085 0.000 0.894 229 D CB 0.932 41.699 40.800 -0.055 0.000 1.111 229 D HN 0.697 nan 8.370 nan 0.000 0.544 230 K N 2.860 123.049 120.400 -0.350 0.000 2.525 230 K HA -0.047 4.273 4.320 -0.000 0.000 0.192 230 K C -0.261 176.008 176.600 -0.552 0.000 1.029 230 K CA 0.529 56.418 56.287 -0.663 0.000 1.029 230 K CB 0.102 31.556 32.500 -1.742 0.000 0.814 230 K HN 0.356 nan 8.250 nan 0.000 0.503 231 H N 0.028 119.075 119.070 -0.038 0.000 2.502 231 H HA 0.245 4.801 4.556 -0.000 0.000 0.268 231 H C -1.566 173.842 175.328 0.133 0.000 1.177 231 H CA -0.469 55.586 56.048 0.011 0.000 0.961 231 H CB -0.497 29.250 29.762 -0.024 0.000 1.737 231 H HN 0.150 nan 8.280 nan 0.000 0.569 232 F N 0.619 120.639 119.950 0.118 0.000 3.034 232 F HA 0.507 5.034 4.527 -0.000 0.000 0.371 232 F C -0.432 175.481 175.800 0.187 0.000 1.233 232 F CA -0.429 57.682 58.000 0.186 0.000 1.134 232 F CB 1.045 40.218 39.000 0.289 0.000 1.495 232 F HN 0.230 nan 8.300 nan 0.000 0.563 233 G N 1.562 110.558 108.800 0.328 0.000 2.600 233 G HA2 0.380 4.340 3.960 -0.000 0.000 0.293 233 G HA3 0.380 4.340 3.960 -0.000 0.000 0.293 233 G C 0.491 175.506 174.900 0.192 0.000 1.408 233 G CA -0.140 45.110 45.100 0.251 0.000 0.782 233 G HN 0.717 nan 8.290 nan 0.000 0.482 234 G N -0.445 108.402 108.800 0.079 0.000 2.475 234 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 234 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 234 G C 1.614 176.542 174.900 0.047 0.000 1.125 234 G CA 1.471 46.600 45.100 0.048 0.000 0.755 234 G HN 0.711 nan 8.290 nan 0.000 0.565 235 R N 0.493 120.848 120.500 -0.242 0.000 2.133 235 R HA -0.138 4.202 4.340 -0.000 0.000 0.247 235 R C 1.763 178.043 176.300 -0.033 0.000 1.151 235 R CA 2.053 57.952 56.100 -0.335 0.000 0.971 235 R CB -0.238 29.648 30.300 -0.689 0.000 0.866 235 R HN 0.313 nan 8.270 nan 0.000 0.447 236 D N -0.982 119.421 120.400 0.005 0.000 2.289 236 D HA -0.092 4.548 4.640 -0.000 0.000 0.207 236 D C 1.587 177.828 176.300 -0.100 0.000 0.966 236 D CA 0.860 54.841 54.000 -0.033 0.000 0.868 236 D CB -0.039 40.677 40.800 -0.140 0.000 0.943 236 D HN 0.269 nan 8.370 nan 0.000 0.514 237 F N 1.737 121.630 119.950 -0.094 0.000 2.187 237 F HA -0.091 4.436 4.527 -0.000 0.000 0.295 237 F C 2.184 177.959 175.800 -0.041 0.000 1.091 237 F CA 0.692 58.645 58.000 -0.077 0.000 1.308 237 F CB 0.002 38.964 39.000 -0.064 0.000 1.030 237 F HN -0.212 nan 8.300 nan 0.000 0.487 238 D N 0.244 120.749 120.400 0.175 0.000 2.117 238 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 238 D C 2.165 178.515 176.300 0.083 0.000 0.987 238 D CA 1.023 55.096 54.000 0.121 0.000 0.829 238 D CB -0.643 40.233 40.800 0.127 0.000 0.961 238 D HN 0.157 nan 8.370 nan 0.000 0.460 239 L N 0.812 122.085 121.223 0.083 0.000 2.056 239 L HA 0.026 4.366 4.340 -0.000 0.000 0.207 239 L C 2.082 178.965 176.870 0.022 0.000 1.078 239 L CA 1.602 56.490 54.840 0.081 0.000 0.749 239 L CB -0.784 41.341 42.059 0.110 0.000 0.901 239 L HN -0.028 nan 8.230 nan 0.000 0.433 240 A N -0.202 122.595 122.820 -0.039 0.000 1.933 240 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 240 A C 2.271 179.799 177.584 -0.092 0.000 1.175 240 A CA 2.073 54.052 52.037 -0.097 0.000 0.628 240 A CB -0.847 18.036 19.000 -0.195 0.000 0.814 240 A HN 0.528 nan 8.150 nan 0.000 0.444 241 I N -0.627 119.905 120.570 -0.062 0.000 2.252 241 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 241 I C 2.497 178.607 176.117 -0.013 0.000 1.102 241 I CA 1.733 62.991 61.300 -0.071 0.000 1.385 241 I CB -0.706 37.297 38.000 0.006 0.000 1.064 241 I HN 0.251 nan 8.210 nan 0.000 0.414 242 T N 0.141 114.702 114.554 0.012 0.000 2.821 242 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 242 T C 1.797 176.480 174.700 -0.028 0.000 1.046 242 T CA 1.031 63.119 62.100 -0.020 0.000 1.139 242 T CB -0.143 68.629 68.868 -0.160 0.000 0.871 242 T HN 0.281 nan 8.240 nan 0.000 0.454 243 E N 0.591 120.794 120.200 0.006 0.000 2.072 243 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 243 E C 2.014 178.572 176.600 -0.070 0.000 0.985 243 E CA 1.129 57.543 56.400 0.022 0.000 0.801 243 E CB -0.433 29.284 29.700 0.029 0.000 0.750 243 E HN 0.644 nan 8.360 nan 0.000 0.452 244 H N 0.216 119.136 119.070 -0.250 0.000 2.289 244 H HA -0.157 4.399 4.556 -0.000 0.000 0.296 244 H C 1.788 176.813 175.328 -0.506 0.000 1.091 244 H CA 1.992 57.791 56.048 -0.415 0.000 1.274 244 H CB -0.407 28.988 29.762 -0.610 0.000 1.364 244 H HN 0.040 nan 8.280 nan 0.000 0.490 245 F N 0.378 120.023 119.950 -0.509 0.000 2.234 245 F HA 0.030 4.557 4.527 -0.000 0.000 0.299 245 F C 2.763 178.066 175.800 -0.829 0.000 1.087 245 F CA 0.913 58.356 58.000 -0.928 0.000 1.340 245 F CB -0.985 37.513 39.000 -0.837 0.000 1.031 245 F HN 0.380 nan 8.300 nan 0.000 0.500 246 A N 0.107 122.828 122.820 -0.165 0.000 1.908 246 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 246 A C 2.068 179.639 177.584 -0.022 0.000 1.181 246 A CA 2.158 54.211 52.037 0.026 0.000 0.627 246 A CB -0.794 18.289 19.000 0.139 0.000 0.818 246 A HN 0.265 nan 8.150 nan 0.000 0.445 247 D N -0.845 119.476 120.400 -0.131 0.000 2.097 247 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 247 D C 1.909 178.111 176.300 -0.164 0.000 0.984 247 D CA 1.459 55.383 54.000 -0.128 0.000 0.826 247 D CB -0.445 40.261 40.800 -0.158 0.000 0.973 247 D HN 0.725 nan 8.370 nan 0.000 0.460 248 E N -0.341 119.643 120.200 -0.360 0.000 2.085 248 E HA -0.181 4.168 4.350 -0.000 0.000 0.194 248 E C 1.694 178.308 176.600 0.024 0.000 0.994 248 E CA 0.863 57.093 56.400 -0.283 0.000 0.801 248 E CB -0.035 29.382 29.700 -0.472 0.000 0.743 248 E HN 0.129 nan 8.360 nan 0.000 0.453 249 F N 0.993 121.022 119.950 0.131 0.000 2.456 249 F HA 0.063 4.590 4.527 -0.000 0.000 0.298 249 F C 2.022 177.919 175.800 0.161 0.000 1.104 249 F CA 0.631 58.773 58.000 0.238 0.000 1.435 249 F CB -0.306 38.870 39.000 0.293 0.000 1.078 249 F HN -0.045 nan 8.300 nan 0.000 0.546 250 K N -0.118 120.431 120.400 0.249 0.000 2.097 250 K HA -0.116 4.204 4.320 -0.000 0.000 0.205 250 K C 2.061 178.724 176.600 0.104 0.000 1.050 250 K CA 1.971 58.350 56.287 0.154 0.000 0.938 250 K CB -0.458 32.098 32.500 0.094 0.000 0.718 250 K HN 0.348 nan 8.250 nan 0.000 0.442 251 T N -0.693 113.902 114.554 0.069 0.000 2.894 251 T HA -0.024 4.326 4.350 -0.000 0.000 0.258 251 T C 1.957 176.654 174.700 -0.006 0.000 1.043 251 T CA 0.652 62.765 62.100 0.022 0.000 1.141 251 T CB 0.002 68.866 68.868 -0.007 0.000 0.873 251 T HN 0.067 nan 8.240 nan 0.000 0.449 252 K N -0.049 120.337 120.400 -0.024 0.000 2.062 252 K HA 0.027 4.347 4.320 -0.000 0.000 0.205 252 K C 1.249 177.632 176.600 -0.362 0.000 1.051 252 K CA 1.109 57.253 56.287 -0.238 0.000 0.941 252 K CB -0.008 32.280 32.500 -0.353 0.000 0.719 252 K HN 0.532 nan 8.250 nan 0.000 0.440 253 Y N -1.113 119.254 120.300 0.113 0.000 2.453 253 Y HA 0.157 4.707 4.550 -0.000 0.000 0.247 253 Y C 0.724 176.652 175.900 0.047 0.000 1.124 253 Y CA 0.255 58.386 58.100 0.052 0.000 1.243 253 Y CB 1.356 39.813 38.460 -0.005 0.000 1.213 253 Y HN 0.001 nan 8.280 nan 0.000 0.523 254 K N 1.142 121.646 120.400 0.172 0.000 3.129 254 K HA -0.223 4.097 4.320 -0.000 0.000 0.273 254 K C -0.285 176.394 176.600 0.130 0.000 1.123 254 K CA 1.448 57.808 56.287 0.122 0.000 0.800 254 K CB -3.138 29.412 32.500 0.083 0.000 1.238 254 K HN 0.730 nan 8.250 nan 0.000 0.492 255 I N -3.385 117.290 120.570 0.176 0.000 2.530 255 I HA 0.788 4.958 4.170 -0.000 0.000 0.297 255 I C -0.334 175.886 176.117 0.172 0.000 1.011 255 I CA -1.157 60.230 61.300 0.146 0.000 1.107 255 I CB 2.530 40.596 38.000 0.110 0.000 1.285 255 I HN 0.053 nan 8.210 nan 0.000 0.436 256 D N 5.570 126.052 120.400 0.138 0.000 2.446 256 D HA 0.312 4.952 4.640 -0.000 0.000 0.251 256 D C 0.825 177.219 176.300 0.158 0.000 1.137 256 D CA -0.652 53.435 54.000 0.145 0.000 0.890 256 D CB 1.142 42.004 40.800 0.104 0.000 1.071 256 D HN 0.704 nan 8.370 nan 0.000 0.528 257 I N 0.556 121.257 120.570 0.219 0.000 2.756 257 I HA -0.036 4.134 4.170 -0.000 0.000 0.262 257 I C 1.498 177.793 176.117 0.297 0.000 1.225 257 I CA 0.340 61.795 61.300 0.258 0.000 1.472 257 I CB 0.091 38.275 38.000 0.308 0.000 1.094 257 I HN 0.069 nan 8.210 nan 0.000 0.454 258 R N 1.069 121.709 120.500 0.233 0.000 2.189 258 R HA -0.019 4.321 4.340 -0.000 0.000 0.223 258 R C 1.236 177.562 176.300 0.043 0.000 1.092 258 R CA 0.774 56.939 56.100 0.108 0.000 0.989 258 R CB -0.064 30.280 30.300 0.073 0.000 0.876 258 R HN 0.438 nan 8.270 nan 0.000 0.457 259 E N 0.126 120.369 120.200 0.071 0.000 2.465 259 E HA 0.041 4.391 4.350 -0.000 0.000 0.191 259 E C -0.262 176.372 176.600 0.057 0.000 1.053 259 E CA 0.169 56.598 56.400 0.049 0.000 0.869 259 E CB 0.160 29.890 29.700 0.048 0.000 0.977 259 E HN 0.117 nan 8.360 nan 0.000 0.483 260 N N 0.630 119.380 118.700 0.083 0.000 2.675 260 N HA 0.142 4.882 4.740 -0.000 0.000 0.254 260 N C -2.382 173.201 175.510 0.122 0.000 1.224 260 N CA -1.638 51.466 53.050 0.090 0.000 0.777 260 N CB 1.513 40.054 38.487 0.091 0.000 1.256 260 N HN -0.276 nan 8.380 nan 0.000 0.531 261 P HA -0.137 nan 4.420 nan 0.000 0.216 261 P C 1.228 178.621 177.300 0.156 0.000 1.153 261 P CA 1.308 64.472 63.100 0.107 0.000 0.858 261 P CB 0.616 32.354 31.700 0.064 0.000 0.789 262 K N -0.280 120.190 120.400 0.117 0.000 2.009 262 K HA -0.112 4.208 4.320 -0.000 0.000 0.210 262 K C 2.096 178.761 176.600 0.108 0.000 1.049 262 K CA 1.711 58.059 56.287 0.101 0.000 0.929 262 K CB -1.095 31.447 32.500 0.070 0.000 0.714 262 K HN -0.058 nan 8.250 nan 0.000 0.440 263 A N -0.294 122.590 122.820 0.107 0.000 1.908 263 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 263 A C 2.173 179.845 177.584 0.147 0.000 1.181 263 A CA 1.787 53.883 52.037 0.098 0.000 0.627 263 A CB -1.055 17.999 19.000 0.089 0.000 0.818 263 A HN 0.544 nan 8.150 nan 0.000 0.445 264 Y N 0.938 121.289 120.300 0.086 0.000 2.128 264 Y HA -0.264 4.286 4.550 -0.000 0.000 0.284 264 Y C 2.444 178.409 175.900 0.107 0.000 1.154 264 Y CA 2.179 60.343 58.100 0.108 0.000 1.149 264 Y CB -0.305 38.210 38.460 0.091 0.000 0.976 264 Y HN 0.461 nan 8.280 nan 0.000 0.505 265 N N 0.218 119.083 118.700 0.275 0.000 2.104 265 N HA -0.232 4.508 4.740 -0.000 0.000 0.190 265 N C 1.846 177.405 175.510 0.081 0.000 1.024 265 N CA 1.437 54.594 53.050 0.178 0.000 0.853 265 N CB -0.113 38.468 38.487 0.158 0.000 1.008 265 N HN 0.436 nan 8.380 nan 0.000 0.424 266 R N 0.106 120.641 120.500 0.058 0.000 2.096 266 R HA -0.036 4.304 4.340 -0.000 0.000 0.235 266 R C 2.154 178.464 176.300 0.017 0.000 1.127 266 R CA 0.811 56.922 56.100 0.018 0.000 0.968 266 R CB -0.062 30.233 30.300 -0.009 0.000 0.861 266 R HN 0.270 nan 8.270 nan 0.000 0.440 267 I N 0.874 121.462 120.570 0.029 0.000 2.286 267 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 267 I C 2.359 178.539 176.117 0.106 0.000 1.104 267 I CA 1.076 62.446 61.300 0.116 0.000 1.397 267 I CB -1.066 37.021 38.000 0.146 0.000 1.072 267 I HN 0.232 nan 8.210 nan 0.000 0.417 268 L N 0.577 121.779 121.223 -0.034 0.000 2.012 268 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 268 L C 2.519 179.440 176.870 0.086 0.000 1.073 268 L CA 2.001 56.845 54.840 0.007 0.000 0.748 268 L CB -0.548 41.528 42.059 0.029 0.000 0.891 268 L HN 0.260 nan 8.230 nan 0.000 0.431 269 T N 0.126 114.725 114.554 0.076 0.000 2.635 269 T HA -0.220 4.130 4.350 -0.000 0.000 0.267 269 T C 1.841 176.593 174.700 0.087 0.000 1.040 269 T CA 1.582 63.724 62.100 0.070 0.000 1.156 269 T CB -0.372 68.520 68.868 0.040 0.000 0.863 269 T HN 0.545 nan 8.240 nan 0.000 0.430 270 A N 1.219 124.099 122.820 0.100 0.000 1.969 270 A HA 0.250 4.570 4.320 -0.000 0.000 0.218 270 A C 2.626 180.413 177.584 0.338 0.000 1.169 270 A CA 1.639 53.756 52.037 0.133 0.000 0.635 270 A CB -0.973 18.001 19.000 -0.043 0.000 0.810 270 A HN 0.512 nan 8.150 nan 0.000 0.445 271 A N -0.394 122.631 122.820 0.342 0.000 1.933 271 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 271 A C 2.039 179.727 177.584 0.173 0.000 1.175 271 A CA 1.703 53.888 52.037 0.247 0.000 0.628 271 A CB -0.454 18.631 19.000 0.141 0.000 0.814 271 A HN 0.596 nan 8.150 nan 0.000 0.444 272 E N 0.066 120.354 120.200 0.146 0.000 2.110 272 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 272 E C 1.875 178.533 176.600 0.096 0.000 0.988 272 E CA 1.456 57.924 56.400 0.112 0.000 0.804 272 E CB -0.064 29.697 29.700 0.100 0.000 0.745 272 E HN 0.662 nan 8.360 nan 0.000 0.458 273 K N 0.265 120.729 120.400 0.107 0.000 2.103 273 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 273 K C 2.169 178.834 176.600 0.108 0.000 1.052 273 K CA 0.690 57.030 56.287 0.087 0.000 0.945 273 K CB -0.161 32.381 32.500 0.071 0.000 0.722 273 K HN 0.047 nan 8.250 nan 0.000 0.443 274 L N 2.039 123.366 121.223 0.172 0.000 1.994 274 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 274 L C 2.242 179.180 176.870 0.112 0.000 1.071 274 L CA 1.857 56.806 54.840 0.182 0.000 0.745 274 L CB -0.431 41.782 42.059 0.257 0.000 0.892 274 L HN 0.044 nan 8.230 nan 0.000 0.431 275 K N 0.105 120.564 120.400 0.098 0.000 2.034 275 K HA -0.295 4.025 4.320 -0.000 0.000 0.214 275 K C 2.201 178.816 176.600 0.026 0.000 1.051 275 K CA 2.304 58.630 56.287 0.064 0.000 0.931 275 K CB -0.234 32.309 32.500 0.071 0.000 0.715 275 K HN 0.383 nan 8.250 nan 0.000 0.446 276 K N 0.234 120.650 120.400 0.026 0.000 2.032 276 K HA -0.127 4.193 4.320 -0.000 0.000 0.209 276 K C 2.114 178.723 176.600 0.014 0.000 1.048 276 K CA 1.614 57.906 56.287 0.008 0.000 0.927 276 K CB -0.178 32.331 32.500 0.014 0.000 0.712 276 K HN -0.007 nan 8.250 nan 0.000 0.441 277 V N 1.689 121.624 119.914 0.035 0.000 2.380 277 V HA -0.243 3.877 4.120 -0.000 0.000 0.251 277 V C 2.005 178.118 176.094 0.030 0.000 1.063 277 V CA 1.628 63.949 62.300 0.036 0.000 1.055 277 V CB -0.422 31.434 31.823 0.056 0.000 0.657 277 V HN 0.321 nan 8.190 nan 0.000 0.455 278 L N -0.370 120.873 121.223 0.033 0.000 2.622 278 L HA -0.044 4.296 4.340 -0.000 0.000 0.233 278 L C 2.243 179.118 176.870 0.008 0.000 1.156 278 L CA 0.605 55.461 54.840 0.027 0.000 0.866 278 L CB -0.343 41.737 42.059 0.036 0.000 0.980 278 L HN 0.278 nan 8.230 nan 0.000 0.448 279 S N -0.391 115.306 115.700 -0.005 0.000 2.470 279 S HA 0.068 4.538 4.470 -0.000 0.000 0.225 279 S C 1.959 176.554 174.600 -0.008 0.000 1.006 279 S CA 0.873 59.062 58.200 -0.019 0.000 0.934 279 S CB 0.305 63.483 63.200 -0.038 0.000 0.778 279 S HN 0.505 nan 8.310 nan 0.000 0.517 280 A N 0.900 123.720 122.820 0.001 0.000 2.085 280 A HA 0.374 4.694 4.320 -0.000 0.000 0.208 280 A C 0.381 177.971 177.584 0.009 0.000 1.191 280 A CA 0.050 52.089 52.037 0.004 0.000 0.799 280 A CB 0.162 19.165 19.000 0.005 0.000 0.877 280 A HN 0.429 nan 8.150 nan 0.000 0.473 281 N N -1.611 117.098 118.700 0.015 0.000 2.312 281 N HA 0.393 5.133 4.740 -0.000 0.000 0.296 281 N C 0.476 175.999 175.510 0.021 0.000 1.193 281 N CA 0.208 53.269 53.050 0.019 0.000 0.773 281 N CB 1.592 40.094 38.487 0.025 0.000 1.435 281 N HN 0.056 nan 8.380 nan 0.000 0.484 282 T N -3.079 111.488 114.554 0.021 0.000 3.100 282 T HA 0.224 4.573 4.350 -0.000 0.000 0.253 282 T C 0.170 174.885 174.700 0.026 0.000 1.118 282 T CA 0.528 62.640 62.100 0.020 0.000 1.058 282 T CB -0.185 68.693 68.868 0.016 0.000 0.953 282 T HN 0.341 nan 8.240 nan 0.000 0.515 283 N N 0.365 119.085 118.700 0.034 0.000 2.405 283 N HA 0.639 5.379 4.740 -0.000 0.000 0.274 283 N C -1.946 173.600 175.510 0.060 0.000 1.170 283 N CA -0.355 52.723 53.050 0.047 0.000 0.848 283 N CB 2.436 40.950 38.487 0.045 0.000 1.629 283 N HN 0.371 nan 8.380 nan 0.000 0.481 284 A N 1.872 124.743 122.820 0.084 0.000 2.488 284 A HA 0.685 5.005 4.320 -0.000 0.000 0.298 284 A C -2.884 174.786 177.584 0.143 0.000 1.044 284 A CA -1.091 51.008 52.037 0.103 0.000 0.693 284 A CB 1.968 21.033 19.000 0.108 0.000 1.272 284 A HN 0.327 nan 8.150 nan 0.000 0.402 285 P HA 0.427 nan 4.420 nan 0.000 0.277 285 P C -1.021 176.409 177.300 0.217 0.000 1.240 285 P CA -0.089 63.104 63.100 0.154 0.000 0.798 285 P CB 0.647 32.401 31.700 0.091 0.000 0.979 286 F N 1.885 121.841 119.950 0.010 0.000 2.500 286 F HA 0.375 4.902 4.527 -0.000 0.000 0.349 286 F C -0.560 175.190 175.800 -0.084 0.000 1.127 286 F CA -0.290 57.660 58.000 -0.084 0.000 0.998 286 F CB 1.105 39.943 39.000 -0.270 0.000 1.237 286 F HN 0.315 nan 8.300 nan 0.000 0.439 287 S N 5.672 121.131 115.700 -0.401 0.000 2.594 287 S HA 0.861 5.331 4.470 -0.000 0.000 0.296 287 S C -1.684 172.615 174.600 -0.501 0.000 1.124 287 S CA -0.535 57.441 58.200 -0.374 0.000 1.011 287 S CB 1.744 64.836 63.200 -0.180 0.000 1.016 287 S HN 0.382 nan 8.310 nan 0.000 0.485 288 V N 4.181 123.791 119.914 -0.506 0.000 2.577 288 V HA 0.516 4.636 4.120 -0.000 0.000 0.303 288 V C -0.189 175.710 176.094 -0.326 0.000 1.042 288 V CA -0.783 61.263 62.300 -0.422 0.000 0.872 288 V CB 1.586 33.125 31.823 -0.474 0.000 0.998 288 V HN 1.029 nan 8.190 nan 0.000 0.423 289 E N 2.257 122.314 120.200 -0.238 0.000 2.277 289 E HA 0.510 4.860 4.350 -0.000 0.000 0.274 289 E C 0.032 176.527 176.600 -0.176 0.000 1.022 289 E CA -0.514 55.767 56.400 -0.198 0.000 0.853 289 E CB 1.420 31.032 29.700 -0.147 0.000 1.086 289 E HN 0.479 nan 8.360 nan 0.000 0.397 290 S N 0.710 116.309 115.700 -0.168 0.000 3.280 290 S HA -0.177 4.293 4.470 -0.000 0.000 0.349 290 S C 0.770 175.287 174.600 -0.139 0.000 0.936 290 S CA 0.544 58.660 58.200 -0.141 0.000 1.301 290 S CB -1.356 61.786 63.200 -0.096 0.000 0.907 290 S HN 0.672 nan 8.310 nan 0.000 0.516 291 V N 0.026 119.828 119.914 -0.187 0.000 2.453 291 V HA 0.023 4.143 4.120 -0.000 0.000 0.247 291 V C 1.068 177.107 176.094 -0.092 0.000 1.048 291 V CA 2.069 64.278 62.300 -0.152 0.000 1.049 291 V CB -0.115 31.583 31.823 -0.208 0.000 0.672 291 V HN 0.704 nan 8.190 nan 0.000 0.457 292 M N -0.588 118.950 119.600 -0.104 0.000 2.233 292 M HA 0.391 4.871 4.480 -0.000 0.000 0.297 292 M C -0.493 175.774 176.300 -0.056 0.000 2.148 292 M CA -0.251 55.015 55.300 -0.056 0.000 1.729 292 M CB 0.432 33.010 32.600 -0.037 0.000 1.997 292 M HN 0.064 nan 8.290 nan 0.000 0.904 293 N N 2.871 121.542 118.700 -0.049 0.000 3.027 293 N HA 0.055 4.795 4.740 -0.000 0.000 0.309 293 N C -0.857 174.622 175.510 -0.051 0.000 1.222 293 N CA 0.634 53.663 53.050 -0.035 0.000 1.187 293 N CB -0.674 37.803 38.487 -0.017 0.000 1.458 293 N HN 0.479 nan 8.380 nan 0.000 0.535 294 D N -0.999 119.365 120.400 -0.059 0.000 2.911 294 D HA -0.200 4.440 4.640 -0.000 0.000 0.227 294 D C -0.959 175.283 176.300 -0.096 0.000 1.164 294 D CA 0.605 54.565 54.000 -0.066 0.000 0.782 294 D CB -0.898 39.877 40.800 -0.043 0.000 1.094 294 D HN 0.221 nan 8.370 nan 0.000 0.425 295 V N 1.145 120.976 119.914 -0.138 0.000 2.357 295 V HA 0.374 4.494 4.120 -0.000 0.000 0.284 295 V C -0.628 175.273 176.094 -0.321 0.000 1.018 295 V CA -0.756 61.416 62.300 -0.214 0.000 0.841 295 V CB 1.521 33.211 31.823 -0.222 0.000 0.991 295 V HN 0.095 nan 8.190 nan 0.000 0.437 296 D N 5.723 125.933 120.400 -0.318 0.000 2.277 296 D HA 0.316 4.956 4.640 -0.000 0.000 0.249 296 D C 0.069 176.022 176.300 -0.577 0.000 1.134 296 D CA 0.165 53.951 54.000 -0.356 0.000 0.863 296 D CB 1.868 42.537 40.800 -0.219 0.000 1.143 296 D HN 0.560 nan 8.370 nan 0.000 0.458 297 V N 0.032 119.543 119.914 -0.671 0.000 2.481 297 V HA 0.655 4.775 4.120 -0.000 0.000 0.286 297 V C 0.073 175.994 176.094 -0.288 0.000 1.042 297 V CA -0.411 61.421 62.300 -0.781 0.000 0.928 297 V CB 1.798 32.930 31.823 -1.153 0.000 0.986 297 V HN 0.380 nan 8.190 nan 0.000 0.462 298 S N 3.292 119.011 115.700 0.031 0.000 2.524 298 S HA 0.613 5.083 4.470 -0.000 0.000 0.227 298 S C -0.348 174.403 174.600 0.251 0.000 1.304 298 S CA -0.179 58.078 58.200 0.094 0.000 1.185 298 S CB 0.992 64.234 63.200 0.069 0.000 1.104 298 S HN 1.201 nan 8.310 nan 0.000 0.475 299 S N 2.701 118.584 115.700 0.306 0.000 2.855 299 S HA 0.845 5.315 4.470 -0.000 0.000 0.308 299 S C -1.221 173.581 174.600 0.338 0.000 1.077 299 S CA -0.462 57.975 58.200 0.396 0.000 0.896 299 S CB 1.350 64.925 63.200 0.625 0.000 1.339 299 S HN 0.830 nan 8.310 nan 0.000 0.602 300 Q N -0.312 119.722 119.800 0.390 0.000 2.685 300 Q HA 0.781 5.121 4.340 -0.000 0.000 0.301 300 Q C -2.115 174.102 176.000 0.362 0.000 0.924 300 Q CA -0.935 55.065 55.803 0.328 0.000 0.755 300 Q CB 1.359 30.220 28.738 0.205 0.000 1.470 300 Q HN 0.520 nan 8.270 nan 0.000 0.434 301 L N 1.111 122.482 121.223 0.246 0.000 2.513 301 L HA 0.636 4.976 4.340 -0.000 0.000 0.261 301 L C -1.292 175.618 176.870 0.066 0.000 0.945 301 L CA -0.014 54.903 54.840 0.129 0.000 0.848 301 L CB 2.650 44.775 42.059 0.110 0.000 1.334 301 L HN 0.944 nan 8.230 nan 0.000 0.407 302 S N 3.469 119.177 115.700 0.013 0.000 2.687 302 S HA 0.504 4.974 4.470 -0.000 0.000 0.283 302 S C 1.031 175.626 174.600 -0.009 0.000 1.170 302 S CA -0.301 57.904 58.200 0.009 0.000 1.008 302 S CB 1.688 64.889 63.200 0.002 0.000 1.026 302 S HN 0.845 nan 8.310 nan 0.000 0.541 303 R N 0.869 121.372 120.500 0.005 0.000 2.094 303 R HA -0.154 4.186 4.340 -0.000 0.000 0.239 303 R C 1.998 178.293 176.300 -0.009 0.000 1.137 303 R CA 2.148 58.252 56.100 0.006 0.000 0.943 303 R CB -0.637 29.672 30.300 0.014 0.000 0.850 303 R HN 0.896 nan 8.270 nan 0.000 0.433 304 E N 0.058 120.250 120.200 -0.013 0.000 2.114 304 E HA -0.263 4.087 4.350 -0.000 0.000 0.199 304 E C 1.968 178.536 176.600 -0.054 0.000 1.008 304 E CA 1.923 58.308 56.400 -0.024 0.000 0.810 304 E CB -0.077 29.611 29.700 -0.020 0.000 0.739 304 E HN 0.537 nan 8.360 nan 0.000 0.456 305 E N 0.280 120.432 120.200 -0.080 0.000 2.106 305 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 305 E C 2.067 178.555 176.600 -0.186 0.000 0.984 305 E CA 0.472 56.782 56.400 -0.150 0.000 0.806 305 E CB -0.024 29.561 29.700 -0.192 0.000 0.750 305 E HN 0.083 nan 8.360 nan 0.000 0.458 306 L N 1.574 122.717 121.223 -0.132 0.000 2.046 306 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 306 L C 1.768 178.597 176.870 -0.068 0.000 1.077 306 L CA 1.873 56.652 54.840 -0.101 0.000 0.747 306 L CB -0.233 41.820 42.059 -0.010 0.000 0.896 306 L HN 0.015 nan 8.230 nan 0.000 0.432 307 E N -0.613 119.570 120.200 -0.029 0.000 2.085 307 E HA -0.294 4.056 4.350 -0.000 0.000 0.194 307 E C 2.059 178.620 176.600 -0.066 0.000 0.994 307 E CA 1.352 57.743 56.400 -0.014 0.000 0.801 307 E CB -0.107 29.599 29.700 0.010 0.000 0.743 307 E HN 0.551 nan 8.360 nan 0.000 0.453 308 E N 0.922 121.071 120.200 -0.086 0.000 2.110 308 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 308 E C 1.845 178.362 176.600 -0.139 0.000 0.988 308 E CA 0.870 57.209 56.400 -0.102 0.000 0.804 308 E CB -0.138 29.501 29.700 -0.100 0.000 0.745 308 E HN 0.223 nan 8.360 nan 0.000 0.458 309 L N -0.058 121.055 121.223 -0.183 0.000 2.083 309 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 309 L C 1.936 178.668 176.870 -0.229 0.000 1.083 309 L CA 1.245 55.957 54.840 -0.214 0.000 0.752 309 L CB -0.336 41.564 42.059 -0.265 0.000 0.899 309 L HN 0.210 nan 8.230 nan 0.000 0.433 310 V N -4.543 115.208 119.914 -0.272 0.000 3.342 310 V HA 0.086 4.206 4.120 -0.000 0.000 0.322 310 V C 1.872 177.813 176.094 -0.255 0.000 1.370 310 V CA -0.093 61.981 62.300 -0.376 0.000 1.170 310 V CB -0.127 31.255 31.823 -0.736 0.000 1.101 310 V HN 0.284 nan 8.190 nan 0.000 0.442 311 K N 1.801 122.103 120.400 -0.163 0.000 2.089 311 K HA -0.141 4.179 4.320 -0.000 0.000 0.210 311 K C -0.397 176.151 176.600 -0.087 0.000 1.048 311 K CA 2.440 58.667 56.287 -0.099 0.000 0.926 311 K CB -0.927 31.526 32.500 -0.077 0.000 0.714 311 K HN 0.518 nan 8.250 nan 0.000 0.448 312 P HA -0.130 nan 4.420 nan 0.000 0.217 312 P C 1.232 178.484 177.300 -0.081 0.000 1.151 312 P CA 0.728 63.779 63.100 -0.081 0.000 0.828 312 P CB 0.036 31.682 31.700 -0.089 0.000 0.788 313 L N -0.678 120.447 121.223 -0.164 0.000 2.083 313 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 313 L C 2.048 178.885 176.870 -0.054 0.000 1.083 313 L CA 1.752 56.460 54.840 -0.220 0.000 0.752 313 L CB -1.241 40.505 42.059 -0.522 0.000 0.899 313 L HN -0.121 nan 8.230 nan 0.000 0.433 314 L N -0.922 120.281 121.223 -0.033 0.000 2.376 314 L HA -0.124 4.216 4.340 -0.000 0.000 0.219 314 L C 2.197 179.155 176.870 0.147 0.000 1.133 314 L CA 0.607 55.523 54.840 0.127 0.000 0.816 314 L CB -0.549 41.552 42.059 0.070 0.000 0.933 314 L HN 0.376 nan 8.230 nan 0.000 0.449 315 E N 0.291 120.545 120.200 0.089 0.000 2.268 315 E HA -0.147 4.202 4.350 -0.000 0.000 0.195 315 E C 1.617 178.284 176.600 0.112 0.000 0.995 315 E CA 0.589 57.034 56.400 0.076 0.000 0.836 315 E CB 0.085 29.808 29.700 0.038 0.000 0.763 315 E HN 0.467 nan 8.360 nan 0.000 0.491 316 R N 0.329 120.944 120.500 0.192 0.000 2.359 316 R HA 0.094 4.433 4.340 -0.000 0.000 0.231 316 R C 1.938 178.381 176.300 0.238 0.000 0.913 316 R CA -0.053 56.172 56.100 0.207 0.000 1.075 316 R CB 0.343 30.799 30.300 0.261 0.000 1.087 316 R HN 0.018 nan 8.270 nan 0.000 0.515 317 V N 1.586 121.674 119.914 0.291 0.000 2.490 317 V HA -0.193 3.927 4.120 -0.000 0.000 0.250 317 V C 2.136 178.333 176.094 0.171 0.000 1.061 317 V CA 2.543 65.011 62.300 0.280 0.000 1.064 317 V CB -0.037 31.960 31.823 0.289 0.000 0.670 317 V HN 0.457 nan 8.190 nan 0.000 0.461 318 T N -4.376 110.225 114.554 0.077 0.000 3.086 318 T HA 0.108 4.458 4.350 -0.000 0.000 0.250 318 T C 1.390 176.054 174.700 -0.060 0.000 1.074 318 T CA 0.621 62.722 62.100 0.001 0.000 0.988 318 T CB 0.034 68.882 68.868 -0.032 0.000 0.988 318 T HN 0.579 nan 8.240 nan 0.000 0.530 319 E N 2.159 122.320 120.200 -0.065 0.000 2.031 319 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 319 E C -0.697 175.800 176.600 -0.172 0.000 0.994 319 E CA 1.421 57.760 56.400 -0.102 0.000 0.800 319 E CB -0.933 28.726 29.700 -0.069 0.000 0.752 319 E HN 0.457 nan 8.360 nan 0.000 0.447 320 P HA -0.142 nan 4.420 nan 0.000 0.219 320 P C 1.320 178.524 177.300 -0.160 0.000 1.146 320 P CA 0.941 63.837 63.100 -0.341 0.000 0.808 320 P CB 0.107 31.325 31.700 -0.805 0.000 0.779 321 V N -0.037 119.793 119.914 -0.139 0.000 2.283 321 V HA -0.218 3.902 4.120 -0.000 0.000 0.243 321 V C 2.570 178.564 176.094 -0.167 0.000 1.039 321 V CA 2.684 64.885 62.300 -0.166 0.000 1.016 321 V CB -2.034 29.561 31.823 -0.380 0.000 0.650 321 V HN 0.260 nan 8.190 nan 0.000 0.449 322 T N -1.695 112.767 114.554 -0.154 0.000 2.867 322 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 322 T C 1.765 176.430 174.700 -0.058 0.000 1.057 322 T CA 1.195 63.232 62.100 -0.105 0.000 1.136 322 T CB -0.270 68.547 68.868 -0.085 0.000 0.874 322 T HN 0.431 nan 8.240 nan 0.000 0.466 323 K N 1.381 121.746 120.400 -0.057 0.000 2.062 323 K HA 0.212 4.532 4.320 -0.000 0.000 0.205 323 K C 2.856 179.451 176.600 -0.008 0.000 1.051 323 K CA 1.088 57.356 56.287 -0.031 0.000 0.941 323 K CB -0.444 32.033 32.500 -0.039 0.000 0.719 323 K HN 0.442 nan 8.250 nan 0.000 0.440 324 A N 1.768 124.587 122.820 -0.001 0.000 1.902 324 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 324 A C 2.191 179.808 177.584 0.054 0.000 1.181 324 A CA 1.159 53.220 52.037 0.040 0.000 0.623 324 A CB -0.627 18.421 19.000 0.080 0.000 0.818 324 A HN 0.130 nan 8.150 nan 0.000 0.443 325 L N -0.802 120.448 121.223 0.044 0.000 2.017 325 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 325 L C 3.111 180.000 176.870 0.032 0.000 1.073 325 L CA 1.126 55.995 54.840 0.049 0.000 0.745 325 L CB -0.582 41.492 42.059 0.025 0.000 0.894 325 L HN 0.430 nan 8.230 nan 0.000 0.432 326 A N -0.606 122.223 122.820 0.015 0.000 1.902 326 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 326 A C 2.275 179.873 177.584 0.024 0.000 1.181 326 A CA 1.837 53.883 52.037 0.015 0.000 0.623 326 A CB -0.575 18.430 19.000 0.007 0.000 0.818 326 A HN 0.495 nan 8.150 nan 0.000 0.443 327 Q N -0.672 119.143 119.800 0.025 0.000 2.119 327 Q HA -0.062 4.278 4.340 -0.000 0.000 0.201 327 Q C 1.923 177.943 176.000 0.035 0.000 0.972 327 Q CA 1.256 57.076 55.803 0.029 0.000 0.847 327 Q CB -0.278 28.474 28.738 0.024 0.000 0.903 327 Q HN 0.602 nan 8.270 nan 0.000 0.433 328 A N 0.542 123.386 122.820 0.040 0.000 2.235 328 A HA -0.010 4.310 4.320 -0.000 0.000 0.208 328 A C 0.248 177.855 177.584 0.038 0.000 1.172 328 A CA 0.416 52.478 52.037 0.043 0.000 0.786 328 A CB -0.140 18.892 19.000 0.055 0.000 0.804 328 A HN 0.426 nan 8.150 nan 0.000 0.479 329 K N -1.453 118.967 120.400 0.034 0.000 3.257 329 K HA -0.191 4.129 4.320 -0.000 0.000 0.270 329 K C -0.610 176.008 176.600 0.030 0.000 0.984 329 K CA 0.964 57.269 56.287 0.030 0.000 0.739 329 K CB -2.152 30.366 32.500 0.030 0.000 1.351 329 K HN 0.734 nan 8.250 nan 0.000 0.463 330 L N -4.351 116.892 121.223 0.033 0.000 2.479 330 L HA 0.673 5.013 4.340 -0.000 0.000 0.255 330 L C -0.218 176.674 176.870 0.036 0.000 1.026 330 L CA -0.921 53.940 54.840 0.035 0.000 0.842 330 L CB 2.050 44.134 42.059 0.041 0.000 1.444 330 L HN -0.127 nan 8.230 nan 0.000 0.409 331 S N -0.145 115.575 115.700 0.034 0.000 2.646 331 S HA 0.632 5.102 4.470 -0.000 0.000 0.276 331 S C 1.195 175.828 174.600 0.055 0.000 1.222 331 S CA -0.073 58.147 58.200 0.032 0.000 1.014 331 S CB 1.592 64.805 63.200 0.022 0.000 0.991 331 S HN 0.981 nan 8.310 nan 0.000 0.533 332 A N 1.675 124.530 122.820 0.058 0.000 1.972 332 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 332 A C 1.930 179.581 177.584 0.112 0.000 1.169 332 A CA 1.295 53.405 52.037 0.122 0.000 0.635 332 A CB -0.493 18.554 19.000 0.077 0.000 0.810 332 A HN 0.830 nan 8.150 nan 0.000 0.446 333 E N 0.710 120.943 120.200 0.054 0.000 2.204 333 E HA -0.193 4.156 4.350 -0.000 0.000 0.194 333 E C 1.183 177.785 176.600 0.004 0.000 0.989 333 E CA 1.164 57.578 56.400 0.023 0.000 0.824 333 E CB -0.596 29.111 29.700 0.011 0.000 0.756 333 E HN 0.795 nan 8.360 nan 0.000 0.477 334 E N 0.917 121.127 120.200 0.017 0.000 2.511 334 E HA 0.052 4.402 4.350 -0.000 0.000 0.196 334 E C -0.020 176.575 176.600 -0.007 0.000 1.066 334 E CA -0.055 56.348 56.400 0.004 0.000 0.871 334 E CB 0.479 30.190 29.700 0.019 0.000 0.863 334 E HN -0.024 nan 8.360 nan 0.000 0.520 335 V N 2.212 122.124 119.914 -0.003 0.000 2.530 335 V HA -0.030 4.090 4.120 -0.000 0.000 0.282 335 V C 0.829 176.827 176.094 -0.160 0.000 1.048 335 V CA 0.098 62.367 62.300 -0.052 0.000 0.997 335 V CB 1.422 33.227 31.823 -0.030 0.000 0.987 335 V HN 0.095 nan 8.190 nan 0.000 0.477 336 D N 3.045 123.311 120.400 -0.224 0.000 2.201 336 D HA 0.126 4.766 4.640 -0.000 0.000 0.209 336 D C -0.028 175.746 176.300 -0.878 0.000 0.961 336 D CA 1.472 55.169 54.000 -0.505 0.000 0.861 336 D CB 0.383 40.938 40.800 -0.409 0.000 0.997 336 D HN 0.459 nan 8.370 nan 0.000 0.486 337 F N -0.354 119.490 119.950 -0.176 0.000 2.608 337 F HA 0.330 4.857 4.527 -0.000 0.000 0.309 337 F C -0.572 174.993 175.800 -0.392 0.000 1.103 337 F CA -1.120 56.739 58.000 -0.235 0.000 0.954 337 F CB 2.254 41.136 39.000 -0.198 0.000 1.267 337 F HN -0.460 nan 8.300 nan 0.000 0.444 338 V N 2.506 122.290 119.914 -0.217 0.000 2.334 338 V HA 0.343 4.463 4.120 -0.000 0.000 0.281 338 V C -0.455 175.466 176.094 -0.288 0.000 1.016 338 V CA -0.706 61.340 62.300 -0.424 0.000 0.832 338 V CB 1.158 32.641 31.823 -0.566 0.000 0.999 338 V HN 0.573 nan 8.190 nan 0.000 0.439 339 E N 5.201 125.156 120.200 -0.410 0.000 2.174 339 E HA 0.454 4.804 4.350 -0.000 0.000 0.282 339 E C -0.377 176.156 176.600 -0.112 0.000 0.992 339 E CA -0.320 55.917 56.400 -0.271 0.000 0.803 339 E CB 2.398 31.847 29.700 -0.418 0.000 1.090 339 E HN 0.760 nan 8.360 nan 0.000 0.396 340 I N 1.391 121.942 120.570 -0.030 0.000 2.412 340 I HA 0.591 4.761 4.170 -0.000 0.000 0.296 340 I C 0.146 176.289 176.117 0.044 0.000 0.987 340 I CA -0.854 60.457 61.300 0.017 0.000 1.180 340 I CB 0.977 38.976 38.000 -0.002 0.000 1.340 340 I HN 0.382 nan 8.210 nan 0.000 0.455 341 I N 1.980 122.588 120.570 0.062 0.000 3.239 341 I HA 1.038 5.208 4.170 -0.000 0.000 0.314 341 I C 0.122 176.257 176.117 0.030 0.000 1.126 341 I CA -1.109 60.220 61.300 0.048 0.000 0.973 341 I CB 1.913 39.953 38.000 0.068 0.000 1.252 341 I HN 1.024 nan 8.210 nan 0.000 0.463 342 G N 0.707 109.518 108.800 0.019 0.000 2.777 342 G HA2 0.033 3.993 3.960 -0.000 0.000 0.686 342 G HA3 0.033 3.993 3.960 -0.000 0.000 0.686 342 G C 0.375 175.275 174.900 -0.000 0.000 1.177 342 G CA -0.320 44.790 45.100 0.017 0.000 0.775 342 G HN 1.449 nan 8.290 nan 0.000 0.613 343 G N -0.351 108.449 108.800 0.001 0.000 2.443 343 G HA2 0.108 4.068 3.960 -0.000 0.000 0.219 343 G HA3 0.108 4.068 3.960 -0.000 0.000 0.219 343 G C 1.670 176.544 174.900 -0.044 0.000 1.131 343 G CA 2.091 47.181 45.100 -0.015 0.000 0.775 343 G HN 1.211 nan 8.290 nan 0.000 0.547 344 T N 0.964 115.491 114.554 -0.045 0.000 3.085 344 T HA -0.060 4.290 4.350 -0.000 0.000 0.263 344 T C 2.576 177.200 174.700 -0.125 0.000 1.127 344 T CA 1.494 63.527 62.100 -0.112 0.000 1.103 344 T CB -0.240 68.579 68.868 -0.082 0.000 0.921 344 T HN 0.535 nan 8.240 nan 0.000 0.510 345 T N 0.109 114.613 114.554 -0.083 0.000 3.163 345 T HA 0.050 4.400 4.350 -0.000 0.000 0.260 345 T C 1.691 176.351 174.700 -0.067 0.000 1.156 345 T CA 0.283 62.336 62.100 -0.080 0.000 1.072 345 T CB -0.279 68.556 68.868 -0.055 0.000 0.937 345 T HN 0.324 nan 8.240 nan 0.000 0.528 346 R N 0.348 120.803 120.500 -0.074 0.000 2.299 346 R HA 0.336 4.676 4.340 -0.000 0.000 0.197 346 R C 0.412 176.667 176.300 -0.075 0.000 0.971 346 R CA 0.098 56.161 56.100 -0.062 0.000 1.030 346 R CB -0.152 30.116 30.300 -0.053 0.000 0.932 346 R HN 0.468 nan 8.270 nan 0.000 0.477 347 I N 2.822 123.322 120.570 -0.117 0.000 2.505 347 I HA 0.013 4.183 4.170 -0.000 0.000 0.287 347 I C -1.521 174.564 176.117 -0.053 0.000 1.104 347 I CA -1.671 59.554 61.300 -0.124 0.000 1.387 347 I CB 0.893 38.739 38.000 -0.257 0.000 1.404 347 I HN -0.195 nan 8.210 nan 0.000 0.528 348 P HA -0.227 nan 4.420 nan 0.000 0.216 348 P C 1.726 179.037 177.300 0.019 0.000 1.157 348 P CA 1.485 64.585 63.100 -0.000 0.000 0.880 348 P CB 0.156 31.859 31.700 0.005 0.000 0.791 349 T N -1.613 112.963 114.554 0.038 0.000 2.833 349 T HA -0.085 4.265 4.350 -0.000 0.000 0.269 349 T C 1.630 176.375 174.700 0.075 0.000 1.054 349 T CA 0.955 63.094 62.100 0.065 0.000 1.135 349 T CB -0.758 68.167 68.868 0.095 0.000 0.869 349 T HN -0.065 nan 8.240 nan 0.000 0.466 350 L N -0.122 121.141 121.223 0.066 0.000 2.109 350 L HA 0.023 4.363 4.340 -0.000 0.000 0.207 350 L C 2.840 179.718 176.870 0.013 0.000 1.086 350 L CA 1.256 56.125 54.840 0.049 0.000 0.760 350 L CB -0.410 41.660 42.059 0.018 0.000 0.910 350 L HN 0.191 nan 8.230 nan 0.000 0.437 351 K N -0.059 120.345 120.400 0.007 0.000 2.009 351 K HA -0.259 4.061 4.320 -0.000 0.000 0.210 351 K C 2.204 178.825 176.600 0.036 0.000 1.049 351 K CA 1.598 57.893 56.287 0.014 0.000 0.929 351 K CB -0.194 32.309 32.500 0.006 0.000 0.714 351 K HN 0.249 nan 8.250 nan 0.000 0.440 352 Q N 0.445 120.266 119.800 0.035 0.000 2.077 352 Q HA -0.189 4.151 4.340 -0.000 0.000 0.206 352 Q C 2.104 178.134 176.000 0.049 0.000 0.989 352 Q CA 1.985 57.812 55.803 0.040 0.000 0.853 352 Q CB 0.037 28.797 28.738 0.036 0.000 0.907 352 Q HN 0.213 nan 8.270 nan 0.000 0.418 353 S N 0.345 116.076 115.700 0.053 0.000 2.368 353 S HA -0.126 4.344 4.470 -0.000 0.000 0.225 353 S C 1.866 176.500 174.600 0.056 0.000 1.030 353 S CA 1.162 59.394 58.200 0.054 0.000 0.999 353 S CB -0.205 63.037 63.200 0.070 0.000 0.844 353 S HN 0.350 nan 8.310 nan 0.000 0.459 354 I N 0.816 121.432 120.570 0.076 0.000 2.226 354 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 354 I C 2.646 178.912 176.117 0.247 0.000 1.100 354 I CA 1.060 62.453 61.300 0.155 0.000 1.374 354 I CB -0.371 37.719 38.000 0.150 0.000 1.057 354 I HN 0.270 nan 8.210 nan 0.000 0.413 355 S N 0.254 116.050 115.700 0.159 0.000 2.368 355 S HA -0.191 4.279 4.470 -0.000 0.000 0.224 355 S C 1.957 176.634 174.600 0.130 0.000 1.029 355 S CA 1.443 59.733 58.200 0.149 0.000 0.988 355 S CB -0.168 63.081 63.200 0.083 0.000 0.838 355 S HN 0.398 nan 8.310 nan 0.000 0.462 356 E N 0.460 120.709 120.200 0.081 0.000 2.106 356 E HA -0.050 4.300 4.350 -0.000 0.000 0.192 356 E C 2.324 178.937 176.600 0.022 0.000 0.984 356 E CA 0.887 57.316 56.400 0.048 0.000 0.806 356 E CB -0.266 29.452 29.700 0.031 0.000 0.750 356 E HN 0.610 nan 8.360 nan 0.000 0.458 357 A N 0.323 123.133 122.820 -0.016 0.000 1.933 357 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 357 A C 1.745 179.189 177.584 -0.234 0.000 1.175 357 A CA 1.255 53.196 52.037 -0.160 0.000 0.628 357 A CB -0.497 18.338 19.000 -0.275 0.000 0.814 357 A HN 0.187 nan 8.150 nan 0.000 0.444 358 F N -1.185 118.770 119.950 0.009 0.000 2.446 358 F HA 0.327 4.854 4.527 -0.000 0.000 0.292 358 F C 1.907 177.701 175.800 -0.010 0.000 1.096 358 F CA 0.758 58.757 58.000 -0.002 0.000 1.438 358 F CB -0.234 38.762 39.000 -0.007 0.000 1.107 358 F HN 0.363 nan 8.300 nan 0.000 0.546 359 G N 0.710 109.610 108.800 0.167 0.000 2.212 359 G HA2 0.059 4.019 3.960 -0.000 0.000 0.255 359 G HA3 0.059 4.019 3.960 -0.000 0.000 0.255 359 G C -0.178 174.769 174.900 0.079 0.000 1.062 359 G CA 0.364 45.519 45.100 0.092 0.000 0.815 359 G HN 0.624 nan 8.290 nan 0.000 0.497 360 K N 0.019 120.477 120.400 0.096 0.000 2.523 360 K HA 0.927 5.247 4.320 -0.000 0.000 0.257 360 K C -2.696 173.924 176.600 0.034 0.000 0.932 360 K CA -1.028 55.280 56.287 0.035 0.000 0.812 360 K CB 2.038 34.528 32.500 -0.017 0.000 1.326 360 K HN 0.238 nan 8.250 nan 0.000 0.433 361 P HA 0.282 nan 4.420 nan 0.000 0.269 361 P C -0.560 176.750 177.300 0.017 0.000 1.215 361 P CA -0.348 62.767 63.100 0.025 0.000 0.780 361 P CB 0.417 32.135 31.700 0.029 0.000 0.898 362 L N 1.408 122.640 121.223 0.014 0.000 2.305 362 L HA 0.256 4.596 4.340 -0.000 0.000 0.281 362 L C 0.882 177.749 176.870 -0.004 0.000 1.085 362 L CA -0.235 54.602 54.840 -0.006 0.000 0.813 362 L CB 0.680 42.739 42.059 0.000 0.000 1.157 362 L HN 0.337 nan 8.230 nan 0.000 0.436 363 S N 0.888 116.575 115.700 -0.021 0.000 2.617 363 S HA 0.428 4.898 4.470 -0.000 0.000 0.283 363 S C 0.386 174.969 174.600 -0.028 0.000 1.189 363 S CA -0.406 57.779 58.200 -0.024 0.000 1.036 363 S CB 1.742 64.916 63.200 -0.043 0.000 1.014 363 S HN 0.653 nan 8.310 nan 0.000 0.522 364 T N 1.066 115.609 114.554 -0.018 0.000 3.794 364 T HA 0.143 4.493 4.350 -0.000 0.000 0.300 364 T C 0.973 175.675 174.700 0.003 0.000 0.961 364 T CA -0.181 61.915 62.100 -0.006 0.000 1.025 364 T CB -0.389 68.473 68.868 -0.009 0.000 1.175 364 T HN 0.754 nan 8.240 nan 0.000 0.474 365 T N -0.552 114.013 114.554 0.019 0.000 3.107 365 T HA 0.437 4.787 4.350 -0.000 0.000 0.249 365 T C 0.657 175.414 174.700 0.096 0.000 1.096 365 T CA -0.152 61.979 62.100 0.052 0.000 1.012 365 T CB 0.051 68.934 68.868 0.025 0.000 0.977 365 T HN 0.296 nan 8.240 nan 0.000 0.527 366 L N 1.694 122.948 121.223 0.052 0.000 2.375 366 L HA 0.457 4.797 4.340 -0.000 0.000 0.268 366 L C 0.535 177.352 176.870 -0.088 0.000 1.058 366 L CA -1.193 53.616 54.840 -0.050 0.000 0.803 366 L CB 0.808 42.892 42.059 0.042 0.000 1.212 366 L HN 0.122 nan 8.230 nan 0.000 0.451 367 N N 1.341 119.945 118.700 -0.159 0.000 2.405 367 N HA 0.018 4.758 4.740 -0.000 0.000 0.260 367 N C 0.532 176.001 175.510 -0.069 0.000 1.152 367 N CA 0.130 53.116 53.050 -0.108 0.000 0.948 367 N CB 1.215 39.626 38.487 -0.127 0.000 1.111 367 N HN 0.647 nan 8.380 nan 0.000 0.485 368 Q N 2.137 121.914 119.800 -0.038 0.000 2.170 368 Q HA -0.139 4.201 4.340 -0.000 0.000 0.203 368 Q C 0.282 176.270 176.000 -0.020 0.000 0.976 368 Q CA 1.239 57.032 55.803 -0.016 0.000 0.858 368 Q CB 0.225 28.958 28.738 -0.009 0.000 0.907 368 Q HN 0.597 nan 8.270 nan 0.000 0.433 369 D N 0.501 120.883 120.400 -0.029 0.000 2.194 369 D HA -0.070 4.570 4.640 -0.000 0.000 0.204 369 D C 1.148 177.429 176.300 -0.032 0.000 0.964 369 D CA 0.943 54.927 54.000 -0.025 0.000 0.846 369 D CB 0.181 40.966 40.800 -0.025 0.000 0.962 369 D HN 0.321 nan 8.370 nan 0.000 0.490 370 E N -0.026 120.144 120.200 -0.050 0.000 2.431 370 E HA 0.216 4.566 4.350 -0.000 0.000 0.200 370 E C 1.869 178.425 176.600 -0.074 0.000 0.995 370 E CA 0.129 56.494 56.400 -0.059 0.000 0.915 370 E CB 0.437 30.092 29.700 -0.075 0.000 0.930 370 E HN 0.084 nan 8.360 nan 0.000 0.496 371 A N 1.506 124.279 122.820 -0.080 0.000 1.908 371 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 371 A C 2.140 179.669 177.584 -0.092 0.000 1.181 371 A CA 1.122 53.103 52.037 -0.094 0.000 0.627 371 A CB -0.511 18.454 19.000 -0.058 0.000 0.818 371 A HN 0.137 nan 8.150 nan 0.000 0.445 372 I N -0.498 120.026 120.570 -0.076 0.000 2.202 372 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 372 I C 3.015 179.086 176.117 -0.076 0.000 1.091 372 I CA 0.990 62.239 61.300 -0.085 0.000 1.368 372 I CB -0.405 37.551 38.000 -0.075 0.000 1.058 372 I HN 0.362 nan 8.210 nan 0.000 0.410 373 A N 0.913 123.700 122.820 -0.055 0.000 1.883 373 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 373 A C 2.326 179.892 177.584 -0.029 0.000 1.186 373 A CA 1.753 53.768 52.037 -0.037 0.000 0.624 373 A CB -0.516 18.479 19.000 -0.008 0.000 0.822 373 A HN 0.316 nan 8.150 nan 0.000 0.444 374 K N -0.957 119.418 120.400 -0.041 0.000 2.057 374 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 374 K C 2.158 178.745 176.600 -0.022 0.000 1.049 374 K CA 1.100 57.367 56.287 -0.033 0.000 0.931 374 K CB -0.468 31.986 32.500 -0.077 0.000 0.714 374 K HN 0.491 nan 8.250 nan 0.000 0.440 375 G N 1.321 110.080 108.800 -0.068 0.000 2.421 375 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.216 375 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.216 375 G C 1.654 176.546 174.900 -0.014 0.000 1.171 375 G CA 0.994 46.043 45.100 -0.084 0.000 0.775 375 G HN 0.355 nan 8.290 nan 0.000 0.543 376 A N 1.131 123.929 122.820 -0.036 0.000 1.940 376 A HA 0.223 4.543 4.320 -0.000 0.000 0.219 376 A C 2.796 180.381 177.584 0.002 0.000 1.176 376 A CA 2.320 54.338 52.037 -0.032 0.000 0.631 376 A CB -0.727 18.219 19.000 -0.089 0.000 0.814 376 A HN 0.797 nan 8.150 nan 0.000 0.446 377 A N -1.357 121.479 122.820 0.026 0.000 1.898 377 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 377 A C 2.059 179.698 177.584 0.092 0.000 1.181 377 A CA 1.509 53.581 52.037 0.060 0.000 0.620 377 A CB -0.664 18.381 19.000 0.076 0.000 0.819 377 A HN 0.673 nan 8.150 nan 0.000 0.442 378 F N 0.627 120.568 119.950 -0.015 0.000 2.146 378 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 378 F C 1.936 177.769 175.800 0.054 0.000 1.096 378 F CA 1.684 59.683 58.000 -0.001 0.000 1.275 378 F CB -0.167 38.799 39.000 -0.058 0.000 1.008 378 F HN 0.169 nan 8.300 nan 0.000 0.480 379 I N -0.696 120.017 120.570 0.238 0.000 2.208 379 I HA -0.362 3.808 4.170 -0.000 0.000 0.245 379 I C 2.772 179.013 176.117 0.206 0.000 1.097 379 I CA 1.252 62.706 61.300 0.257 0.000 1.363 379 I CB -0.896 37.278 38.000 0.290 0.000 1.051 379 I HN 0.350 nan 8.210 nan 0.000 0.413 380 C N 1.007 120.367 119.300 0.100 0.000 2.413 380 C HA -0.162 4.298 4.460 -0.000 0.000 0.277 380 C C 3.150 178.172 174.990 0.055 0.000 1.265 380 C CA 1.104 60.161 59.018 0.066 0.000 1.752 380 C CB -1.072 26.674 27.740 0.009 0.000 1.998 380 C HN 0.579 nan 8.230 nan 0.000 0.489 381 A N -0.039 122.754 122.820 -0.045 0.000 1.968 381 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 381 A C 1.994 179.478 177.584 -0.166 0.000 1.169 381 A CA 1.527 53.488 52.037 -0.127 0.000 0.638 381 A CB -0.616 18.246 19.000 -0.230 0.000 0.812 381 A HN 0.643 nan 8.150 nan 0.000 0.446 382 I N -0.764 119.680 120.570 -0.210 0.000 2.264 382 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 382 I C 2.037 178.066 176.117 -0.146 0.000 1.111 382 I CA 1.294 62.484 61.300 -0.184 0.000 1.382 382 I CB -0.463 37.462 38.000 -0.125 0.000 1.060 382 I HN 0.430 nan 8.210 nan 0.000 0.418 383 H N -0.621 118.425 119.070 -0.039 0.000 2.551 383 H HA 0.134 4.690 4.556 -0.000 0.000 0.266 383 H C 1.246 176.562 175.328 -0.021 0.000 0.977 383 H CA 0.065 56.103 56.048 -0.018 0.000 1.163 383 H CB 0.226 29.986 29.762 -0.003 0.000 1.381 383 H HN 0.155 nan 8.280 nan 0.000 0.581 384 S N 3.045 118.782 115.700 0.062 0.000 2.498 384 S HA 0.024 4.494 4.470 -0.000 0.000 0.281 384 S C -1.046 173.561 174.600 0.010 0.000 1.265 384 S CA -1.363 56.854 58.200 0.028 0.000 1.071 384 S CB 0.887 64.088 63.200 0.001 0.000 0.894 384 S HN 0.209 nan 8.310 nan 0.000 0.491 385 P HA -0.049 nan 4.420 nan 0.000 0.225 385 P C 1.102 178.402 177.300 0.001 0.000 1.148 385 P CA 1.080 64.185 63.100 0.009 0.000 0.779 385 P CB -0.115 31.593 31.700 0.015 0.000 0.780 386 T N -3.588 110.966 114.554 -0.000 0.000 3.114 386 T HA 0.136 4.486 4.350 -0.000 0.000 0.240 386 T C 0.691 175.386 174.700 -0.008 0.000 0.983 386 T CA -0.251 61.848 62.100 -0.002 0.000 1.151 386 T CB -0.953 67.916 68.868 0.001 0.000 0.974 386 T HN -0.103 nan 8.240 nan 0.000 0.442 387 L N 3.024 124.239 121.223 -0.013 0.000 2.477 387 L HA 0.359 4.699 4.340 -0.000 0.000 0.272 387 L C 0.125 176.974 176.870 -0.035 0.000 1.157 387 L CA 0.023 54.851 54.840 -0.021 0.000 0.889 387 L CB 0.022 42.066 42.059 -0.026 0.000 1.158 387 L HN 0.188 nan 8.230 nan 0.000 0.473 388 R N 3.450 123.936 120.500 -0.024 0.000 2.312 388 R HA 0.642 4.982 4.340 -0.000 0.000 0.311 388 R C -1.185 175.102 176.300 -0.021 0.000 1.004 388 R CA -0.573 55.514 56.100 -0.022 0.000 0.902 388 R CB 1.811 32.110 30.300 -0.003 0.000 1.073 388 R HN 0.481 nan 8.270 nan 0.000 0.457 389 V N 2.219 122.112 119.914 -0.035 0.000 2.823 389 V HA 0.556 4.676 4.120 -0.000 0.000 0.312 389 V C -0.254 175.903 176.094 0.104 0.000 1.072 389 V CA -0.694 61.589 62.300 -0.028 0.000 0.937 389 V CB 1.834 33.479 31.823 -0.297 0.000 1.013 389 V HN 0.937 nan 8.190 nan 0.000 0.430 390 R N 6.019 126.661 120.500 0.237 0.000 2.480 390 R HA 0.341 4.681 4.340 -0.000 0.000 0.303 390 R C -2.381 174.138 176.300 0.366 0.000 0.985 390 R CA -0.714 55.540 56.100 0.257 0.000 1.051 390 R CB -1.147 29.294 30.300 0.235 0.000 0.935 390 R HN 0.695 nan 8.270 nan 0.000 0.410 391 P HA 0.154 nan 4.420 nan 0.000 0.264 391 P C -1.083 176.458 177.300 0.401 0.000 1.193 391 P CA 0.204 63.464 63.100 0.265 0.000 0.763 391 P CB 0.245 32.030 31.700 0.141 0.000 0.810 392 F N 3.104 123.219 119.950 0.275 0.000 2.630 392 F HA 0.338 4.865 4.527 -0.000 0.000 0.325 392 F C -0.331 175.642 175.800 0.288 0.000 1.184 392 F CA -0.868 57.293 58.000 0.267 0.000 1.011 392 F CB 1.791 40.953 39.000 0.271 0.000 1.268 392 F HN 0.196 nan 8.300 nan 0.000 0.480 393 K N 4.860 125.140 120.400 -0.201 0.000 2.118 393 K HA 0.854 5.174 4.320 -0.000 0.000 0.254 393 K C -1.546 174.998 176.600 -0.094 0.000 0.961 393 K CA -0.498 55.723 56.287 -0.109 0.000 0.876 393 K CB 1.965 34.368 32.500 -0.161 0.000 1.077 393 K HN 0.506 nan 8.250 nan 0.000 0.440 394 F N -1.877 117.992 119.950 -0.134 0.000 2.641 394 F HA 0.503 5.030 4.527 -0.000 0.000 0.308 394 F C -1.399 174.315 175.800 -0.143 0.000 1.105 394 F CA -1.035 56.887 58.000 -0.130 0.000 0.964 394 F CB 1.864 40.882 39.000 0.029 0.000 1.294 394 F HN 0.539 nan 8.300 nan 0.000 0.442 395 E N 1.745 121.882 120.200 -0.106 0.000 2.210 395 E HA 0.305 4.655 4.350 -0.000 0.000 0.266 395 E C -1.783 174.686 176.600 -0.218 0.000 0.883 395 E CA -1.003 55.258 56.400 -0.232 0.000 0.761 395 E CB 2.386 31.981 29.700 -0.176 0.000 1.156 395 E HN 0.568 nan 8.360 nan 0.000 0.412 396 D N 2.110 122.225 120.400 -0.475 0.000 2.252 396 D HA 0.309 4.949 4.640 -0.000 0.000 0.245 396 D C -0.773 175.293 176.300 -0.390 0.000 1.009 396 D CA -0.760 52.953 54.000 -0.478 0.000 0.870 396 D CB 1.514 41.902 40.800 -0.686 0.000 1.251 396 D HN 0.365 nan 8.370 nan 0.000 0.460 397 I N 2.549 123.061 120.570 -0.097 0.000 2.648 397 I HA -0.023 4.147 4.170 -0.000 0.000 0.284 397 I C 0.080 176.362 176.117 0.276 0.000 1.153 397 I CA 0.077 61.418 61.300 0.068 0.000 1.426 397 I CB 0.411 38.439 38.000 0.047 0.000 1.381 397 I HN 0.303 nan 8.210 nan 0.000 0.571 398 H N 9.429 128.632 119.070 0.222 0.000 2.700 398 H HA 0.326 4.882 4.556 -0.000 0.000 0.269 398 H C -2.093 173.297 175.328 0.103 0.000 1.222 398 H CA -2.103 54.112 56.048 0.278 0.000 1.254 398 H CB 1.092 31.049 29.762 0.326 0.000 1.413 398 H HN 0.484 nan 8.280 nan 0.000 0.507 399 P HA -0.086 nan 4.420 nan 0.000 0.219 399 P C -0.383 176.672 177.300 -0.409 0.000 1.150 399 P CA 0.949 63.797 63.100 -0.421 0.000 0.814 399 P CB 0.290 31.502 31.700 -0.814 0.000 0.787 400 Y N -0.791 119.520 120.300 0.018 0.000 2.387 400 Y HA 0.403 4.953 4.550 -0.000 0.000 0.336 400 Y C 1.126 177.183 175.900 0.262 0.000 1.067 400 Y CA -1.338 56.822 58.100 0.102 0.000 1.114 400 Y CB 1.138 39.626 38.460 0.046 0.000 1.208 400 Y HN -0.271 nan 8.280 nan 0.000 0.458 401 S N 2.093 118.052 115.700 0.433 0.000 2.498 401 S HA 0.324 4.794 4.470 -0.000 0.000 0.281 401 S C -0.671 174.186 174.600 0.428 0.000 1.265 401 S CA -0.487 57.955 58.200 0.403 0.000 1.071 401 S CB -0.331 63.038 63.200 0.282 0.000 0.894 401 S HN 0.458 nan 8.310 nan 0.000 0.491 402 V N 4.970 125.160 119.914 0.459 0.000 2.513 402 V HA 0.696 4.816 4.120 -0.000 0.000 0.299 402 V C 0.133 176.383 176.094 0.261 0.000 1.035 402 V CA -0.585 61.898 62.300 0.304 0.000 0.889 402 V CB 1.847 33.805 31.823 0.225 0.000 0.988 402 V HN 0.903 nan 8.190 nan 0.000 0.440 403 S N 3.969 119.765 115.700 0.161 0.000 2.568 403 S HA 0.803 5.273 4.470 -0.000 0.000 0.293 403 S C -1.671 173.053 174.600 0.206 0.000 1.089 403 S CA -0.433 57.893 58.200 0.209 0.000 0.945 403 S CB 1.532 64.835 63.200 0.172 0.000 1.077 403 S HN 0.440 nan 8.310 nan 0.000 0.485 404 Y N 1.345 121.718 120.300 0.122 0.000 2.509 404 Y HA 0.652 5.202 4.550 -0.000 0.000 0.341 404 Y C 0.659 176.653 175.900 0.156 0.000 1.038 404 Y CA -0.432 57.784 58.100 0.193 0.000 1.089 404 Y CB 2.249 40.858 38.460 0.247 0.000 1.241 404 Y HN 0.877 nan 8.280 nan 0.000 0.468 405 S N 1.092 116.965 115.700 0.288 0.000 2.634 405 S HA 0.868 5.338 4.470 -0.000 0.000 0.296 405 S C -1.544 173.238 174.600 0.302 0.000 1.104 405 S CA -0.731 57.475 58.200 0.009 0.000 0.920 405 S CB 1.817 64.982 63.200 -0.060 0.000 1.111 405 S HN 0.717 nan 8.310 nan 0.000 0.493 406 W N -0.663 120.768 121.300 0.218 0.000 3.118 406 W HA 0.635 5.295 4.660 -0.000 0.000 0.328 406 W C -1.691 174.946 176.519 0.196 0.000 1.239 406 W CA -0.867 56.631 57.345 0.254 0.000 1.176 406 W CB -0.179 29.447 29.460 0.276 0.000 1.433 406 W HN 0.421 nan 8.180 nan 0.000 0.562 407 D N 2.145 122.823 120.400 0.462 0.000 2.533 407 D HA -0.057 4.583 4.640 -0.000 0.000 0.236 407 D C 1.192 177.678 176.300 0.309 0.000 1.137 407 D CA 0.295 54.473 54.000 0.297 0.000 0.867 407 D CB 1.434 42.413 40.800 0.299 0.000 1.170 407 D HN 0.587 nan 8.370 nan 0.000 0.474 408 K N 2.770 123.269 120.400 0.165 0.000 1.991 408 K HA -0.255 4.065 4.320 -0.000 0.000 0.212 408 K C 0.757 177.458 176.600 0.170 0.000 1.049 408 K CA 1.795 58.171 56.287 0.149 0.000 0.932 408 K CB 0.095 32.636 32.500 0.069 0.000 0.717 408 K HN 0.570 nan 8.250 nan 0.000 0.441 409 Q N -2.255 117.611 119.800 0.111 0.000 1.918 409 Q HA -0.255 4.085 4.340 -0.000 0.000 0.390 409 Q C 0.878 176.906 176.000 0.046 0.000 0.761 409 Q CA 2.257 58.099 55.803 0.065 0.000 0.885 409 Q CB -1.460 27.298 28.738 0.034 0.000 3.219 409 Q HN 0.396 nan 8.270 nan 0.000 0.778 410 V N -1.802 118.123 119.914 0.018 0.000 3.249 410 V HA 0.308 4.428 4.120 -0.000 0.000 0.338 410 V C 0.266 176.370 176.094 0.017 0.000 1.363 410 V CA 0.154 62.459 62.300 0.009 0.000 1.205 410 V CB 0.391 32.205 31.823 -0.015 0.000 1.164 410 V HN 0.267 nan 8.190 nan 0.000 0.458 411 E N 1.118 121.355 120.200 0.061 0.000 2.280 411 E HA 0.267 4.617 4.350 -0.000 0.000 0.264 411 E C 0.201 176.861 176.600 0.101 0.000 1.064 411 E CA -0.292 56.167 56.400 0.098 0.000 0.900 411 E CB 1.598 31.439 29.700 0.235 0.000 1.123 411 E HN 0.287 nan 8.360 nan 0.000 0.418 412 D N 0.676 121.131 120.400 0.091 0.000 2.091 412 D HA -0.076 4.564 4.640 -0.000 0.000 0.199 412 D C 0.102 176.446 176.300 0.074 0.000 0.980 412 D CA 1.304 55.343 54.000 0.067 0.000 0.831 412 D CB 0.397 41.224 40.800 0.045 0.000 0.987 412 D HN 0.306 nan 8.370 nan 0.000 0.460 413 E N 0.755 121.024 120.200 0.115 0.000 2.227 413 E HA 0.172 4.522 4.350 -0.000 0.000 0.268 413 E C -0.013 176.585 176.600 -0.003 0.000 0.990 413 E CA -0.184 56.232 56.400 0.027 0.000 0.856 413 E CB 1.371 31.039 29.700 -0.052 0.000 1.159 413 E HN 0.155 nan 8.360 nan 0.000 0.401 414 D N -1.454 118.766 120.400 -0.300 0.000 2.469 414 D HA 0.001 4.641 4.640 -0.000 0.000 0.213 414 D C 0.512 176.092 176.300 -1.199 0.000 1.135 414 D CA 0.157 53.717 54.000 -0.733 0.000 0.834 414 D CB 0.183 40.817 40.800 -0.277 0.000 1.009 414 D HN 0.471 nan 8.370 nan 0.000 0.507 415 H N -1.708 116.729 119.070 -1.055 0.000 2.947 415 H HA 0.687 5.243 4.556 -0.000 0.000 0.290 415 H C -1.376 173.706 175.328 -0.411 0.000 1.430 415 H CA -1.233 54.324 56.048 -0.818 0.000 1.189 415 H CB 1.378 30.924 29.762 -0.361 0.000 1.875 415 H HN 0.049 nan 8.280 nan 0.000 0.568 416 M N 1.039 120.568 119.600 -0.118 0.000 2.525 416 M HA 0.139 4.619 4.480 -0.000 0.000 0.286 416 M C -1.896 174.483 176.300 0.133 0.000 1.019 416 M CA -0.305 55.014 55.300 0.031 0.000 0.865 416 M CB 2.324 35.084 32.600 0.267 0.000 1.851 416 M HN 0.850 nan 8.290 nan 0.000 0.544 417 E N 2.942 123.203 120.200 0.102 0.000 2.299 417 E HA 0.306 4.656 4.350 -0.000 0.000 0.272 417 E C -0.564 176.062 176.600 0.043 0.000 1.043 417 E CA -0.144 56.323 56.400 0.111 0.000 0.895 417 E CB 1.068 30.833 29.700 0.109 0.000 1.011 417 E HN 0.602 nan 8.360 nan 0.000 0.432 418 V N 5.213 125.128 119.914 0.002 0.000 2.806 418 V HA 0.103 4.223 4.120 -0.000 0.000 0.239 418 V C 0.082 175.880 176.094 -0.495 0.000 1.113 418 V CA 0.386 62.492 62.300 -0.322 0.000 1.137 418 V CB 0.177 31.695 31.823 -0.508 0.000 0.865 418 V HN 0.544 nan 8.190 nan 0.000 0.482 419 F N 1.768 121.827 119.950 0.181 0.000 2.434 419 F HA 0.515 5.042 4.527 -0.000 0.000 0.367 419 F C -2.539 173.369 175.800 0.181 0.000 1.093 419 F CA -2.424 55.630 58.000 0.089 0.000 1.085 419 F CB 1.029 40.028 39.000 -0.002 0.000 1.322 419 F HN 0.047 nan 8.300 nan 0.000 0.452 420 P HA 0.062 nan 4.420 nan 0.000 0.271 420 P C -0.490 177.028 177.300 0.365 0.000 1.233 420 P CA -0.346 62.920 63.100 0.277 0.000 0.789 420 P CB 0.689 32.499 31.700 0.184 0.000 0.951 421 A N 1.498 124.496 122.820 0.297 0.000 2.451 421 A HA 0.472 4.792 4.320 -0.000 0.000 0.266 421 A C 1.339 179.044 177.584 0.201 0.000 1.119 421 A CA 0.573 52.770 52.037 0.266 0.000 0.786 421 A CB -1.476 17.649 19.000 0.209 0.000 1.061 421 A HN 0.846 nan 8.150 nan 0.000 0.503 422 G N 1.917 110.833 108.800 0.193 0.000 2.157 422 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.248 422 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.248 422 G C 0.700 175.694 174.900 0.158 0.000 0.979 422 G CA 0.935 46.119 45.100 0.140 0.000 0.650 422 G HN 2.020 nan 8.290 nan 0.000 0.529 423 S N -0.662 115.172 115.700 0.223 0.000 2.596 423 S HA 0.799 5.269 4.470 -0.000 0.000 0.262 423 S C 0.523 175.237 174.600 0.189 0.000 1.218 423 S CA 0.700 59.008 58.200 0.179 0.000 0.998 423 S CB 1.477 64.778 63.200 0.169 0.000 1.060 423 S HN 0.946 nan 8.310 nan 0.000 0.552 424 S N 0.032 115.808 115.700 0.126 0.000 2.638 424 S HA 0.798 5.268 4.470 -0.000 0.000 0.302 424 S C -0.902 173.766 174.600 0.113 0.000 1.096 424 S CA -0.711 57.538 58.200 0.082 0.000 0.953 424 S CB 1.057 64.246 63.200 -0.018 0.000 1.107 424 S HN 0.777 nan 8.310 nan 0.000 0.503 425 F N -0.124 119.815 119.950 -0.018 0.000 2.613 425 F HA 0.804 5.331 4.527 -0.000 0.000 0.314 425 F C -3.081 172.656 175.800 -0.105 0.000 1.075 425 F CA -2.755 55.192 58.000 -0.089 0.000 0.945 425 F CB 0.721 39.678 39.000 -0.073 0.000 1.310 425 F HN 0.272 nan 8.300 nan 0.000 0.467 426 P HA 0.191 nan 4.420 nan 0.000 0.271 426 P C -0.969 176.331 177.300 -0.000 0.000 1.218 426 P CA -0.047 63.114 63.100 0.101 0.000 0.780 426 P CB 1.735 33.451 31.700 0.028 0.000 0.901 427 S N 0.513 116.172 115.700 -0.067 0.000 2.549 427 S HA 0.588 5.058 4.470 -0.000 0.000 0.280 427 S C -1.052 173.594 174.600 0.076 0.000 1.109 427 S CA -0.374 57.819 58.200 -0.011 0.000 0.905 427 S CB 1.174 64.370 63.200 -0.006 0.000 1.081 427 S HN 0.398 nan 8.310 nan 0.000 0.477 428 T N 3.281 117.932 114.554 0.162 0.000 2.824 428 T HA 0.577 4.927 4.350 -0.000 0.000 0.282 428 T C -1.214 173.581 174.700 0.159 0.000 0.993 428 T CA -0.604 61.598 62.100 0.170 0.000 0.967 428 T CB 1.426 70.332 68.868 0.064 0.000 0.960 428 T HN 0.464 nan 8.240 nan 0.000 0.441 429 K N 3.449 123.907 120.400 0.097 0.000 2.545 429 K HA 0.538 4.858 4.320 -0.000 0.000 0.252 429 K C -1.444 175.083 176.600 -0.123 0.000 0.948 429 K CA -0.557 55.690 56.287 -0.066 0.000 0.827 429 K CB 0.560 32.905 32.500 -0.257 0.000 1.128 429 K HN 0.461 nan 8.250 nan 0.000 0.429 430 L N 6.906 128.069 121.223 -0.100 0.000 2.260 430 L HA 0.517 4.857 4.340 -0.000 0.000 0.289 430 L C 0.256 177.043 176.870 -0.139 0.000 1.057 430 L CA -0.769 54.004 54.840 -0.113 0.000 0.811 430 L CB 0.207 42.219 42.059 -0.078 0.000 1.184 430 L HN 0.608 nan 8.230 nan 0.000 0.429 431 I N -0.309 120.153 120.570 -0.180 0.000 2.863 431 I HA 0.806 4.976 4.170 -0.000 0.000 0.311 431 I C -0.222 175.770 176.117 -0.208 0.000 1.026 431 I CA -0.443 60.733 61.300 -0.207 0.000 1.077 431 I CB 2.374 40.209 38.000 -0.275 0.000 1.262 431 I HN 0.431 nan 8.210 nan 0.000 0.461 432 T N 4.562 118.979 114.554 -0.228 0.000 2.881 432 T HA 0.652 5.002 4.350 -0.000 0.000 0.290 432 T C -1.253 173.272 174.700 -0.291 0.000 1.000 432 T CA -0.531 61.441 62.100 -0.215 0.000 0.978 432 T CB 1.023 69.802 68.868 -0.147 0.000 0.997 432 T HN 0.598 nan 8.240 nan 0.000 0.443 433 L N 4.612 125.643 121.223 -0.320 0.000 2.409 433 L HA 0.522 4.862 4.340 -0.000 0.000 0.272 433 L C -0.240 176.435 176.870 -0.324 0.000 0.980 433 L CA -1.208 53.382 54.840 -0.417 0.000 0.826 433 L CB 2.098 43.764 42.059 -0.655 0.000 1.268 433 L HN 0.598 nan 8.230 nan 0.000 0.407 434 N N 2.860 121.408 118.700 -0.253 0.000 2.452 434 N HA 0.271 5.011 4.740 -0.000 0.000 0.266 434 N C -0.435 174.935 175.510 -0.234 0.000 1.175 434 N CA -0.128 52.807 53.050 -0.192 0.000 0.945 434 N CB 1.023 39.437 38.487 -0.122 0.000 1.063 434 N HN 0.413 nan 8.380 nan 0.000 0.472 435 R N -0.302 120.061 120.500 -0.229 0.000 2.807 435 R HA 0.414 4.754 4.340 -0.000 0.000 0.276 435 R C 1.025 177.252 176.300 -0.122 0.000 0.979 435 R CA -0.574 55.369 56.100 -0.262 0.000 0.928 435 R CB 1.037 31.083 30.300 -0.423 0.000 1.191 435 R HN 0.552 nan 8.270 nan 0.000 0.471 436 T N -2.267 112.242 114.554 -0.076 0.000 3.015 436 T HA 0.415 4.765 4.350 -0.000 0.000 0.250 436 T C 0.841 175.549 174.700 0.014 0.000 1.057 436 T CA 0.313 62.401 62.100 -0.020 0.000 1.066 436 T CB 0.576 69.442 68.868 -0.003 0.000 0.959 436 T HN 0.594 nan 8.240 nan 0.000 0.488 437 G N 0.525 109.351 108.800 0.043 0.000 2.494 437 G HA2 0.447 4.407 3.960 -0.000 0.000 0.308 437 G HA3 0.447 4.407 3.960 -0.000 0.000 0.308 437 G C -2.167 172.843 174.900 0.184 0.000 1.263 437 G CA -0.884 44.269 45.100 0.089 0.000 0.840 437 G HN 0.053 nan 8.290 nan 0.000 0.479 438 D N 0.704 121.211 120.400 0.179 0.000 2.488 438 D HA 0.471 5.111 4.640 -0.000 0.000 0.238 438 D C -0.149 176.336 176.300 0.309 0.000 1.138 438 D CA 0.854 54.987 54.000 0.222 0.000 0.873 438 D CB 0.620 41.488 40.800 0.114 0.000 1.183 438 D HN 0.405 nan 8.370 nan 0.000 0.458 439 F N -1.293 118.699 119.950 0.071 0.000 2.629 439 F HA 0.629 5.156 4.527 -0.000 0.000 0.316 439 F C -0.404 175.473 175.800 0.129 0.000 1.081 439 F CA -1.370 56.689 58.000 0.098 0.000 0.954 439 F CB 0.814 39.876 39.000 0.104 0.000 1.337 439 F HN 0.171 nan 8.300 nan 0.000 0.474 440 S N 2.002 117.791 115.700 0.149 0.000 2.621 440 S HA 0.893 5.363 4.470 -0.000 0.000 0.302 440 S C -0.841 173.900 174.600 0.235 0.000 1.093 440 S CA -0.803 57.450 58.200 0.088 0.000 1.017 440 S CB 1.839 65.105 63.200 0.109 0.000 1.077 440 S HN 0.820 nan 8.310 nan 0.000 0.517 441 M N 0.685 120.446 119.600 0.269 0.000 2.618 441 M HA 0.771 5.251 4.480 -0.000 0.000 0.281 441 M C -1.084 175.490 176.300 0.456 0.000 1.267 441 M CA -0.776 54.780 55.300 0.427 0.000 0.845 441 M CB 2.558 35.441 32.600 0.472 0.000 1.732 441 M HN 1.004 nan 8.290 nan 0.000 0.461 442 A N 0.905 123.983 122.820 0.431 0.000 2.606 442 A HA 0.972 5.292 4.320 -0.000 0.000 0.293 442 A C -1.886 175.802 177.584 0.174 0.000 1.082 442 A CA -0.606 51.573 52.037 0.237 0.000 0.685 442 A CB 1.722 20.747 19.000 0.042 0.000 1.284 442 A HN 0.934 nan 8.150 nan 0.000 0.408 443 A N 0.663 123.450 122.820 -0.054 0.000 2.371 443 A HA 0.933 5.253 4.320 -0.000 0.000 0.311 443 A C -0.154 177.246 177.584 -0.306 0.000 1.068 443 A CA 0.161 51.987 52.037 -0.351 0.000 0.744 443 A CB 1.106 19.774 19.000 -0.554 0.000 1.239 443 A HN 2.296 nan 8.150 nan 0.000 0.435 444 S N 0.423 115.946 115.700 -0.295 0.000 2.596 444 S HA 0.659 5.129 4.470 -0.000 0.000 0.270 444 S C -1.173 173.271 174.600 -0.260 0.000 1.155 444 S CA -0.735 57.287 58.200 -0.296 0.000 0.827 444 S CB 0.332 63.445 63.200 -0.145 0.000 1.130 444 S HN 0.520 nan 8.310 nan 0.000 0.467 445 Y N 1.701 121.992 120.300 -0.015 0.000 2.465 445 Y HA 0.201 4.751 4.550 -0.000 0.000 0.331 445 Y C 2.130 178.044 175.900 0.023 0.000 1.102 445 Y CA -0.030 58.077 58.100 0.012 0.000 1.358 445 Y CB 0.429 38.875 38.460 -0.024 0.000 1.213 445 Y HN 0.824 nan 8.280 nan 0.000 0.525 446 T N 0.282 114.961 114.554 0.209 0.000 2.708 446 T HA -0.187 4.163 4.350 -0.000 0.000 0.266 446 T C 0.341 175.109 174.700 0.113 0.000 1.037 446 T CA 1.476 63.662 62.100 0.143 0.000 1.146 446 T CB -0.094 68.872 68.868 0.165 0.000 0.865 446 T HN 0.507 nan 8.240 nan 0.000 0.435 447 D N -0.008 120.468 120.400 0.128 0.000 2.408 447 D HA 0.259 4.899 4.640 -0.000 0.000 0.261 447 D C 0.499 176.833 176.300 0.056 0.000 1.190 447 D CA -0.654 53.396 54.000 0.083 0.000 0.910 447 D CB 0.414 41.265 40.800 0.086 0.000 1.097 447 D HN -0.061 nan 8.370 nan 0.000 0.522 448 I N 2.886 123.479 120.570 0.038 0.000 2.567 448 I HA -0.183 3.987 4.170 -0.000 0.000 0.257 448 I C 2.138 178.223 176.117 -0.053 0.000 1.184 448 I CA 1.745 63.040 61.300 -0.008 0.000 1.451 448 I CB -0.208 37.800 38.000 0.013 0.000 1.089 448 I HN 0.544 nan 8.210 nan 0.000 0.441 449 T N -2.403 112.140 114.554 -0.020 0.000 2.962 449 T HA -0.150 4.200 4.350 -0.000 0.000 0.270 449 T C 1.619 176.306 174.700 -0.022 0.000 1.088 449 T CA 0.826 62.915 62.100 -0.019 0.000 1.127 449 T CB -0.340 68.530 68.868 0.002 0.000 0.883 449 T HN 0.328 nan 8.240 nan 0.000 0.493 450 Q N 0.363 120.151 119.800 -0.019 0.000 2.472 450 Q HA 0.363 4.703 4.340 -0.000 0.000 0.208 450 Q C 0.425 176.380 176.000 -0.074 0.000 0.958 450 Q CA 0.229 56.043 55.803 0.019 0.000 0.932 450 Q CB -0.303 28.503 28.738 0.113 0.000 1.007 450 Q HN 0.507 nan 8.270 nan 0.000 0.508 451 L N 0.976 122.044 121.223 -0.257 0.000 2.358 451 L HA 0.347 4.687 4.340 -0.000 0.000 0.268 451 L C -2.075 174.657 176.870 -0.231 0.000 1.032 451 L CA -2.015 52.538 54.840 -0.479 0.000 0.805 451 L CB 0.403 42.019 42.059 -0.737 0.000 1.253 451 L HN -0.132 nan 8.230 nan 0.000 0.452 452 P HA 0.059 nan 4.420 nan 0.000 0.265 452 P C -2.488 174.776 177.300 -0.060 0.000 1.187 452 P CA -0.680 62.382 63.100 -0.062 0.000 0.766 452 P CB -0.320 31.372 31.700 -0.012 0.000 0.820 453 P HA -0.095 nan 4.420 nan 0.000 0.264 453 P C -0.048 177.219 177.300 -0.056 0.000 1.179 453 P CA 0.787 63.863 63.100 -0.039 0.000 0.763 453 P CB -0.097 31.587 31.700 -0.026 0.000 0.806 454 N N -1.765 116.893 118.700 -0.070 0.000 2.782 454 N HA -0.141 4.599 4.740 -0.000 0.000 0.251 454 N C -0.781 174.709 175.510 -0.033 0.000 1.101 454 N CA 1.373 54.377 53.050 -0.077 0.000 0.764 454 N CB -2.076 36.307 38.487 -0.173 0.000 1.122 454 N HN 0.368 nan 8.380 nan 0.000 0.561 455 T N 1.313 115.846 114.554 -0.034 0.000 2.794 455 T HA 0.402 4.752 4.350 -0.000 0.000 0.296 455 T C -1.989 172.734 174.700 0.038 0.000 0.949 455 T CA -0.847 61.245 62.100 -0.013 0.000 1.101 455 T CB 1.110 69.906 68.868 -0.120 0.000 0.905 455 T HN -0.050 nan 8.240 nan 0.000 0.516 456 P HA 0.222 nan 4.420 nan 0.000 0.271 456 P C 0.831 178.237 177.300 0.176 0.000 1.218 456 P CA -0.377 62.795 63.100 0.120 0.000 0.780 456 P CB 0.894 32.688 31.700 0.155 0.000 0.901 457 E N 0.392 120.659 120.200 0.111 0.000 2.046 457 E HA -0.146 4.204 4.350 -0.000 0.000 0.190 457 E C 0.694 177.315 176.600 0.035 0.000 0.982 457 E CA 0.773 57.243 56.400 0.115 0.000 0.800 457 E CB 0.140 29.864 29.700 0.040 0.000 0.756 457 E HN 0.533 nan 8.360 nan 0.000 0.449 458 Q N 0.807 120.592 119.800 -0.024 0.000 2.304 458 Q HA 0.108 4.447 4.340 -0.000 0.000 0.260 458 Q C 0.746 176.658 176.000 -0.148 0.000 0.965 458 Q CA -0.117 55.612 55.803 -0.123 0.000 0.898 458 Q CB 0.898 29.553 28.738 -0.139 0.000 1.196 458 Q HN 0.142 nan 8.270 nan 0.000 0.402 459 I N 2.199 122.611 120.570 -0.263 0.000 2.810 459 I HA 0.276 4.446 4.170 -0.000 0.000 0.262 459 I C 0.485 176.347 176.117 -0.425 0.000 1.131 459 I CA 0.413 61.573 61.300 -0.233 0.000 1.453 459 I CB 0.465 38.301 38.000 -0.274 0.000 1.161 459 I HN 0.643 nan 8.210 nan 0.000 0.444 460 A N 0.847 123.380 122.820 -0.479 0.000 2.601 460 A HA 0.663 4.983 4.320 -0.000 0.000 0.291 460 A C -1.636 175.425 177.584 -0.871 0.000 1.075 460 A CA -0.589 50.999 52.037 -0.747 0.000 0.671 460 A CB 1.154 19.681 19.000 -0.788 0.000 1.277 460 A HN 0.375 nan 8.150 nan 0.000 0.417 461 N N -0.717 117.353 118.700 -1.050 0.000 2.494 461 N HA 0.779 5.519 4.740 -0.000 0.000 0.270 461 N C -1.328 173.785 175.510 -0.661 0.000 1.285 461 N CA -0.773 51.866 53.050 -0.686 0.000 0.812 461 N CB 1.415 39.746 38.487 -0.261 0.000 1.557 461 N HN 0.722 nan 8.380 nan 0.000 0.487 462 W N -0.169 121.175 121.300 0.073 0.000 3.083 462 W HA 0.416 5.076 4.660 -0.000 0.000 0.333 462 W C -1.067 175.449 176.519 -0.004 0.000 1.217 462 W CA -0.494 56.869 57.345 0.031 0.000 1.170 462 W CB 2.161 31.616 29.460 -0.008 0.000 1.437 462 W HN 0.539 nan 8.180 nan 0.000 0.557 463 E N 1.612 121.922 120.200 0.183 0.000 2.224 463 E HA 0.456 4.806 4.350 -0.000 0.000 0.265 463 E C -1.026 175.535 176.600 -0.065 0.000 0.878 463 E CA -0.733 55.688 56.400 0.034 0.000 0.759 463 E CB 2.555 32.296 29.700 0.069 0.000 1.164 463 E HN 0.201 nan 8.360 nan 0.000 0.414 464 I N 2.365 122.775 120.570 -0.267 0.000 2.330 464 I HA 0.263 4.433 4.170 -0.000 0.000 0.289 464 I C -0.103 175.934 176.117 -0.134 0.000 1.001 464 I CA -0.079 61.045 61.300 -0.293 0.000 1.193 464 I CB 1.666 39.279 38.000 -0.645 0.000 1.345 464 I HN 0.390 nan 8.210 nan 0.000 0.461 465 T N 3.921 118.452 114.554 -0.039 0.000 2.912 465 T HA 0.607 4.957 4.350 -0.000 0.000 0.288 465 T C 0.640 175.359 174.700 0.032 0.000 1.030 465 T CA 0.122 62.230 62.100 0.013 0.000 1.020 465 T CB 1.693 70.568 68.868 0.013 0.000 1.056 465 T HN 0.941 nan 8.240 nan 0.000 0.480 466 G N 1.103 109.930 108.800 0.045 0.000 2.131 466 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.223 466 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.223 466 G C 0.105 175.036 174.900 0.051 0.000 0.990 466 G CA -0.210 44.914 45.100 0.041 0.000 0.671 466 G HN 0.794 nan 8.290 nan 0.000 0.521 467 V N 1.351 121.310 119.914 0.075 0.000 2.450 467 V HA 0.268 4.388 4.120 -0.000 0.000 0.281 467 V C 0.724 176.848 176.094 0.051 0.000 1.019 467 V CA 0.750 63.097 62.300 0.079 0.000 1.062 467 V CB 1.053 32.951 31.823 0.124 0.000 0.979 467 V HN 0.481 nan 8.190 nan 0.000 0.477 468 Q N 4.007 123.828 119.800 0.035 0.000 2.333 468 Q HA 0.525 4.865 4.340 -0.000 0.000 0.267 468 Q C -1.237 174.772 176.000 0.015 0.000 1.012 468 Q CA -0.983 54.834 55.803 0.023 0.000 0.824 468 Q CB 2.425 31.174 28.738 0.019 0.000 1.290 468 Q HN 0.558 nan 8.270 nan 0.000 0.449 469 L N 4.435 125.664 121.223 0.011 0.000 2.290 469 L HA 0.330 4.670 4.340 -0.000 0.000 0.284 469 L C -1.955 174.916 176.870 0.002 0.000 1.078 469 L CA -1.243 53.599 54.840 0.003 0.000 0.815 469 L CB -0.091 41.969 42.059 0.002 0.000 1.162 469 L HN 0.412 nan 8.230 nan 0.000 0.435 470 P HA -0.062 nan 4.420 nan 0.000 0.270 470 P C 0.828 178.127 177.300 -0.001 0.000 1.216 470 P CA -0.284 62.815 63.100 -0.002 0.000 0.788 470 P CB 0.575 32.272 31.700 -0.005 0.000 0.883 471 E N 0.607 120.806 120.200 -0.001 0.000 2.114 471 E HA -0.183 4.167 4.350 -0.000 0.000 0.199 471 E C 1.455 178.054 176.600 -0.001 0.000 1.008 471 E CA 2.112 58.511 56.400 -0.000 0.000 0.810 471 E CB -0.470 29.229 29.700 -0.000 0.000 0.739 471 E HN 0.628 nan 8.360 nan 0.000 0.456 472 G N -0.597 108.201 108.800 -0.003 0.000 2.832 472 G HA2 0.148 4.108 3.960 -0.000 0.000 0.187 472 G HA3 0.148 4.108 3.960 -0.000 0.000 0.187 472 G C 0.074 174.972 174.900 -0.004 0.000 1.817 472 G CA 1.190 46.288 45.100 -0.004 0.000 0.896 472 G HN 0.595 nan 8.290 nan 0.000 0.453 473 Q N -0.505 119.291 119.800 -0.007 0.000 2.951 473 Q HA -0.182 4.158 4.340 -0.000 0.000 0.101 473 Q C 0.729 176.723 176.000 -0.009 0.000 1.562 473 Q CA 1.171 56.969 55.803 -0.009 0.000 0.418 473 Q CB -2.088 26.645 28.738 -0.009 0.000 0.625 473 Q HN 0.766 nan 8.270 nan 0.000 0.320 474 D N 0.037 120.430 120.400 -0.012 0.000 2.162 474 D HA 0.242 4.882 4.640 -0.000 0.000 0.203 474 D C 0.946 177.237 176.300 -0.016 0.000 0.967 474 D CA 2.174 56.166 54.000 -0.012 0.000 0.840 474 D CB 0.297 41.089 40.800 -0.013 0.000 0.972 474 D HN 1.617 nan 8.370 nan 0.000 0.482 475 S N -0.952 114.734 115.700 -0.023 0.000 2.672 475 S HA 0.582 5.052 4.470 -0.000 0.000 0.271 475 S C -1.110 173.468 174.600 -0.036 0.000 1.171 475 S CA -0.532 57.648 58.200 -0.033 0.000 0.817 475 S CB 1.555 64.728 63.200 -0.046 0.000 1.150 475 S HN -0.079 nan 8.310 nan 0.000 0.478 476 V N 1.010 120.895 119.914 -0.048 0.000 2.638 476 V HA 0.657 4.777 4.120 -0.000 0.000 0.306 476 V C -3.049 173.000 176.094 -0.075 0.000 1.052 476 V CA -2.028 60.243 62.300 -0.048 0.000 0.885 476 V CB 1.191 32.997 31.823 -0.029 0.000 0.999 476 V HN 0.627 nan 8.190 nan 0.000 0.424 477 P HA 0.312 nan 4.420 nan 0.000 0.276 477 P C -0.729 176.518 177.300 -0.089 0.000 1.235 477 P CA -0.085 62.957 63.100 -0.097 0.000 0.772 477 P CB 0.964 32.616 31.700 -0.081 0.000 0.871 478 V N 2.398 122.240 119.914 -0.120 0.000 2.384 478 V HA 0.547 4.667 4.120 -0.000 0.000 0.287 478 V C 0.693 176.734 176.094 -0.089 0.000 1.020 478 V CA -0.775 61.479 62.300 -0.077 0.000 0.850 478 V CB 0.797 32.592 31.823 -0.046 0.000 0.987 478 V HN 0.523 nan 8.190 nan 0.000 0.436 479 K N 5.258 125.622 120.400 -0.061 0.000 2.297 479 K HA 0.755 5.075 4.320 -0.000 0.000 0.286 479 K C -0.924 175.636 176.600 -0.067 0.000 1.053 479 K CA -0.151 56.092 56.287 -0.073 0.000 0.940 479 K CB 0.501 32.966 32.500 -0.058 0.000 1.019 479 K HN 0.673 nan 8.250 nan 0.000 0.475 480 L N 1.847 123.010 121.223 -0.101 0.000 2.356 480 L HA 0.592 4.932 4.340 -0.000 0.000 0.277 480 L C 0.487 177.275 176.870 -0.136 0.000 0.996 480 L CA -0.972 53.801 54.840 -0.112 0.000 0.822 480 L CB 2.091 44.074 42.059 -0.127 0.000 1.256 480 L HN 0.753 nan 8.230 nan 0.000 0.413 481 K N 5.244 125.573 120.400 -0.120 0.000 2.268 481 K HA 0.701 5.021 4.320 -0.000 0.000 0.276 481 K C -0.803 175.717 176.600 -0.133 0.000 1.080 481 K CA -0.288 55.936 56.287 -0.105 0.000 0.910 481 K CB 0.256 32.719 32.500 -0.062 0.000 1.163 481 K HN 0.565 nan 8.250 nan 0.000 0.465 482 L N 1.926 123.052 121.223 -0.162 0.000 2.307 482 L HA 0.653 4.993 4.340 -0.000 0.000 0.282 482 L C 0.409 177.367 176.870 0.147 0.000 1.051 482 L CA -1.009 53.727 54.840 -0.173 0.000 0.804 482 L CB 1.707 43.424 42.059 -0.571 0.000 1.197 482 L HN 0.781 nan 8.230 nan 0.000 0.431 483 R N 1.966 122.625 120.500 0.264 0.000 2.621 483 R HA 0.413 4.753 4.340 -0.000 0.000 0.284 483 R C -1.524 174.818 176.300 0.070 0.000 0.998 483 R CA -0.537 55.699 56.100 0.227 0.000 0.895 483 R CB 1.952 32.303 30.300 0.085 0.000 1.195 483 R HN 0.738 nan 8.270 nan 0.000 0.450 484 C N 5.811 124.847 119.300 -0.439 0.000 2.168 484 C HA 0.284 4.744 4.460 -0.000 0.000 0.333 484 C C 0.081 174.886 174.990 -0.308 0.000 1.106 484 C CA -0.672 57.965 59.018 -0.634 0.000 1.574 484 C CB -1.130 25.952 27.740 -1.096 0.000 2.055 484 C HN 0.891 nan 8.230 nan 0.000 0.473 485 D N 5.853 126.134 120.400 -0.198 0.000 2.393 485 D HA 0.158 4.798 4.640 -0.000 0.000 0.246 485 D C -1.858 174.448 176.300 0.010 0.000 1.275 485 D CA -1.600 52.360 54.000 -0.068 0.000 0.979 485 D CB -0.002 40.780 40.800 -0.030 0.000 1.101 485 D HN 0.236 nan 8.370 nan 0.000 0.505 486 P HA -0.002 nan 4.420 nan 0.000 0.225 486 P C 0.667 178.124 177.300 0.262 0.000 1.148 486 P CA 0.958 64.179 63.100 0.200 0.000 0.779 486 P CB 0.088 31.885 31.700 0.162 0.000 0.780 487 S N -1.504 114.233 115.700 0.061 0.000 2.575 487 S HA 0.300 4.770 4.470 -0.000 0.000 0.215 487 S C 1.555 175.986 174.600 -0.282 0.000 0.966 487 S CA 0.519 58.707 58.200 -0.020 0.000 0.911 487 S CB -0.642 62.501 63.200 -0.095 0.000 0.780 487 S HN 0.319 nan 8.310 nan 0.000 0.514 488 G N 1.581 110.019 108.800 -0.604 0.000 2.147 488 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 488 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 488 G C -0.105 174.384 174.900 -0.684 0.000 1.005 488 G CA -0.109 44.281 45.100 -1.183 0.000 0.713 488 G HN 0.467 nan 8.290 nan 0.000 0.515 489 L N 0.000 120.957 121.223 -0.443 0.000 2.334 489 L HA 0.572 4.912 4.340 -0.000 0.000 0.277 489 L C 0.425 177.173 176.870 -0.204 0.000 1.075 489 L CA -1.096 53.596 54.840 -0.246 0.000 0.804 489 L CB 0.954 42.884 42.059 -0.215 0.000 1.174 489 L HN 0.173 nan 8.230 nan 0.000 0.438 490 H N 0.584 119.798 119.070 0.239 0.000 2.640 490 H HA 0.384 4.940 4.556 -0.000 0.000 0.297 490 H C 0.099 175.753 175.328 0.542 0.000 1.073 490 H CA -0.354 55.913 56.048 0.365 0.000 1.305 490 H CB 0.950 30.930 29.762 0.363 0.000 1.404 490 H HN 0.640 nan 8.280 nan 0.000 0.459 491 T N 0.439 115.329 114.554 0.559 0.000 2.910 491 T HA 0.652 5.002 4.350 -0.000 0.000 0.287 491 T C -0.120 174.649 174.700 0.115 0.000 1.050 491 T CA -1.023 61.375 62.100 0.497 0.000 1.011 491 T CB 1.448 70.500 68.868 0.307 0.000 1.195 491 T HN 0.339 nan 8.240 nan 0.000 0.540 492 I N 1.350 121.755 120.570 -0.275 0.000 2.382 492 I HA 0.379 4.549 4.170 -0.000 0.000 0.286 492 I C 0.787 176.801 176.117 -0.172 0.000 1.002 492 I CA -0.637 60.410 61.300 -0.421 0.000 1.135 492 I CB 1.949 39.426 38.000 -0.871 0.000 1.288 492 I HN 0.782 nan 8.210 nan 0.000 0.448 493 E N 3.750 123.895 120.200 -0.091 0.000 2.140 493 E HA 0.128 4.478 4.350 -0.000 0.000 0.191 493 E C 0.090 176.667 176.600 -0.038 0.000 0.973 493 E CA 0.991 57.373 56.400 -0.029 0.000 0.829 493 E CB 0.582 30.277 29.700 -0.007 0.000 0.781 493 E HN 0.575 nan 8.360 nan 0.000 0.466 494 E N -1.300 118.863 120.200 -0.062 0.000 2.366 494 E HA 0.652 5.002 4.350 -0.000 0.000 0.278 494 E C -1.879 174.685 176.600 -0.060 0.000 0.923 494 E CA -0.826 55.545 56.400 -0.048 0.000 0.761 494 E CB 1.934 31.614 29.700 -0.033 0.000 1.231 494 E HN 0.044 nan 8.360 nan 0.000 0.443 495 A N 1.473 124.269 122.820 -0.039 0.000 2.427 495 A HA 0.787 5.107 4.320 -0.000 0.000 0.298 495 A C -1.669 175.914 177.584 -0.002 0.000 1.036 495 A CA 0.107 52.131 52.037 -0.020 0.000 0.701 495 A CB 0.946 19.936 19.000 -0.017 0.000 1.250 495 A HN 0.784 nan 8.150 nan 0.000 0.412 496 Y N 0.178 120.480 120.300 0.003 0.000 2.390 496 Y HA 0.653 5.203 4.550 -0.000 0.000 0.324 496 Y C 0.177 176.076 175.900 -0.002 0.000 1.151 496 Y CA -0.731 57.370 58.100 0.002 0.000 1.053 496 Y CB 0.350 38.805 38.460 -0.009 0.000 1.277 496 Y HN 1.539 nan 8.280 nan 0.000 0.432 497 T N 1.126 115.683 114.554 0.005 0.000 2.913 497 T HA 0.654 5.004 4.350 -0.000 0.000 0.297 497 T C 0.173 174.865 174.700 -0.013 0.000 1.029 497 T CA 0.572 62.669 62.100 -0.006 0.000 1.104 497 T CB 0.924 69.793 68.868 0.001 0.000 0.964 497 T HN 1.797 nan 8.240 nan 0.000 0.532 527 T N 1.007 115.551 114.554 -0.016 0.000 3.766 527 T HA 0.680 5.030 4.350 -0.000 0.000 0.327 527 T C 0.259 174.950 174.700 -0.015 0.000 1.595 527 T CA 0.365 62.455 62.100 -0.017 0.000 1.204 527 T CB -1.311 67.546 68.868 -0.018 0.000 1.245 527 T HN 2.015 nan 8.240 nan 0.000 0.875 528 V N 1.317 121.223 119.914 -0.014 0.000 2.588 528 V HA 0.751 4.871 4.120 -0.000 0.000 0.304 528 V C 0.055 176.142 176.094 -0.012 0.000 1.042 528 V CA -1.624 60.669 62.300 -0.012 0.000 0.877 528 V CB 1.600 33.418 31.823 -0.010 0.000 0.996 528 V HN 0.648 nan 8.190 nan 0.000 0.425 529 K N 3.886 124.280 120.400 -0.011 0.000 2.416 529 K HA 0.520 4.840 4.320 -0.000 0.000 0.283 529 K C 0.933 177.529 176.600 -0.006 0.000 1.037 529 K CA 0.919 57.201 56.287 -0.009 0.000 0.995 529 K CB 1.170 33.665 32.500 -0.008 0.000 0.938 529 K HN 0.927 nan 8.250 nan 0.000 0.475 530 K N 3.353 123.750 120.400 -0.005 0.000 2.107 530 K HA 0.056 4.376 4.320 -0.000 0.000 0.211 530 K C -0.222 176.379 176.600 0.001 0.000 1.024 530 K CA 1.556 57.842 56.287 -0.002 0.000 0.953 530 K CB -0.496 32.003 32.500 -0.002 0.000 0.831 530 K HN 0.930 nan 8.250 nan 0.000 0.454 531 D N 0.753 121.155 120.400 0.004 0.000 2.966 531 D HA 0.310 4.950 4.640 -0.000 0.000 0.222 531 D C -1.816 174.490 176.300 0.008 0.000 1.292 531 D CA -0.746 53.258 54.000 0.007 0.000 0.907 531 D CB 0.907 41.714 40.800 0.011 0.000 1.621 531 D HN 0.399 nan 8.370 nan 0.000 0.557 532 D N 1.432 121.835 120.400 0.006 0.000 2.424 532 D HA 0.289 4.929 4.640 -0.000 0.000 0.244 532 D C 0.019 176.325 176.300 0.010 0.000 1.134 532 D CA -0.193 53.810 54.000 0.005 0.000 0.881 532 D CB 0.705 41.505 40.800 0.001 0.000 1.191 532 D HN 0.374 nan 8.370 nan 0.000 0.445 533 L N 1.577 122.807 121.223 0.012 0.000 2.325 533 L HA 0.356 4.696 4.340 -0.000 0.000 0.279 533 L C 0.713 177.585 176.870 0.003 0.000 1.054 533 L CA -1.053 53.796 54.840 0.016 0.000 0.804 533 L CB 1.139 43.217 42.059 0.033 0.000 1.200 533 L HN 0.455 nan 8.230 nan 0.000 0.436 534 T N 0.566 115.123 114.554 0.004 0.000 2.851 534 T HA 0.522 4.871 4.350 -0.000 0.000 0.298 534 T C -0.174 174.521 174.700 -0.008 0.000 0.977 534 T CA -0.357 61.743 62.100 0.001 0.000 1.126 534 T CB 0.617 69.489 68.868 0.006 0.000 0.916 534 T HN 0.307 nan 8.240 nan 0.000 0.529 535 I N 3.070 123.639 120.570 -0.001 0.000 2.362 535 I HA 0.321 4.491 4.170 -0.000 0.000 0.289 535 I C -0.452 175.685 176.117 0.032 0.000 0.994 535 I CA -1.154 60.152 61.300 0.011 0.000 1.158 535 I CB 1.845 39.852 38.000 0.012 0.000 1.315 535 I HN 0.412 nan 8.210 nan 0.000 0.451 536 V N 6.454 126.380 119.914 0.021 0.000 2.350 536 V HA 0.536 4.656 4.120 -0.000 0.000 0.276 536 V C 0.491 176.498 176.094 -0.144 0.000 1.028 536 V CA -0.429 61.832 62.300 -0.064 0.000 0.860 536 V CB 1.230 33.007 31.823 -0.078 0.000 0.990 536 V HN 0.809 nan 8.190 nan 0.000 0.453 537 A N 4.275 126.980 122.820 -0.192 0.000 2.306 537 A HA 0.770 5.090 4.320 -0.000 0.000 0.314 537 A C -0.589 176.583 177.584 -0.687 0.000 1.164 537 A CA -0.433 51.444 52.037 -0.268 0.000 0.822 537 A CB 0.296 19.335 19.000 0.066 0.000 1.130 537 A HN 0.976 nan 8.150 nan 0.000 0.496 538 H N 0.804 119.597 119.070 -0.462 0.000 2.991 538 H HA 0.487 5.043 4.556 -0.000 0.000 0.304 538 H C 0.297 175.265 175.328 -0.601 0.000 1.040 538 H CA 0.122 55.909 56.048 -0.435 0.000 1.410 538 H CB 1.533 31.067 29.762 -0.379 0.000 1.529 538 H HN 0.836 nan 8.280 nan 0.000 0.509 539 T N -1.804 112.485 114.554 -0.442 0.000 2.762 539 T HA 0.270 4.620 4.350 -0.000 0.000 0.272 539 T C 0.536 174.816 174.700 -0.699 0.000 0.982 539 T CA -0.731 60.974 62.100 -0.659 0.000 1.013 539 T CB 0.628 69.114 68.868 -0.637 0.000 1.309 539 T HN 0.178 nan 8.240 nan 0.000 0.572 540 F N 1.139 120.627 119.950 -0.770 0.000 2.748 540 F HA 0.321 4.848 4.527 -0.000 0.000 0.299 540 F C 1.958 177.522 175.800 -0.394 0.000 1.154 540 F CA -0.039 57.663 58.000 -0.497 0.000 1.446 540 F CB -0.732 38.082 39.000 -0.310 0.000 1.112 540 F HN 0.796 nan 8.300 nan 0.000 0.584 541 G N 0.884 109.425 108.800 -0.432 0.000 2.483 541 G HA2 0.346 4.306 3.960 -0.000 0.000 0.248 541 G HA3 0.346 4.306 3.960 -0.000 0.000 0.248 541 G C -0.129 174.779 174.900 0.013 0.000 1.248 541 G CA -0.619 44.487 45.100 0.009 0.000 0.838 541 G HN 0.071 nan 8.290 nan 0.000 0.566 542 L N 2.361 123.628 121.223 0.075 0.000 2.453 542 L HA 0.130 4.470 4.340 -0.000 0.000 0.272 542 L C 0.709 177.603 176.870 0.040 0.000 1.182 542 L CA -0.859 54.014 54.840 0.055 0.000 0.858 542 L CB 0.422 42.525 42.059 0.072 0.000 1.120 542 L HN 0.650 nan 8.230 nan 0.000 0.474 543 D N 2.487 122.902 120.400 0.025 0.000 2.364 543 D HA -0.031 4.609 4.640 -0.000 0.000 0.236 543 D C 0.888 177.207 176.300 0.032 0.000 1.221 543 D CA 0.053 54.066 54.000 0.021 0.000 0.891 543 D CB 1.064 41.875 40.800 0.018 0.000 1.190 543 D HN 0.571 nan 8.370 nan 0.000 0.449 544 A N 1.267 124.104 122.820 0.028 0.000 2.019 544 A HA -0.064 4.255 4.320 -0.000 0.000 0.219 544 A C 2.294 179.898 177.584 0.033 0.000 1.164 544 A CA 2.750 54.807 52.037 0.032 0.000 0.644 544 A CB -0.989 18.027 19.000 0.027 0.000 0.805 544 A HN 0.775 nan 8.150 nan 0.000 0.449 545 K N 0.384 120.802 120.400 0.030 0.000 2.001 545 K HA -0.082 4.238 4.320 -0.000 0.000 0.208 545 K C 2.081 178.702 176.600 0.036 0.000 1.048 545 K CA 2.061 58.366 56.287 0.030 0.000 0.932 545 K CB -0.661 31.854 32.500 0.026 0.000 0.715 545 K HN 0.441 nan 8.250 nan 0.000 0.437 546 K N 0.616 121.038 120.400 0.038 0.000 1.991 546 K HA -0.004 4.316 4.320 -0.000 0.000 0.212 546 K C 2.048 178.680 176.600 0.054 0.000 1.049 546 K CA 1.603 57.918 56.287 0.046 0.000 0.932 546 K CB -0.732 31.796 32.500 0.046 0.000 0.717 546 K HN 0.328 nan 8.250 nan 0.000 0.441 547 L N 0.727 121.983 121.223 0.055 0.000 2.011 547 L HA -0.393 3.947 4.340 -0.000 0.000 0.225 547 L C 1.986 178.889 176.870 0.055 0.000 1.084 547 L CA 2.480 57.355 54.840 0.059 0.000 0.791 547 L CB -0.661 41.432 42.059 0.056 0.000 0.898 547 L HN 0.488 nan 8.230 nan 0.000 0.440 548 N N -1.042 117.687 118.700 0.048 0.000 2.223 548 N HA -0.213 4.527 4.740 -0.000 0.000 0.185 548 N C 1.602 177.141 175.510 0.049 0.000 1.016 548 N CA 1.122 54.198 53.050 0.045 0.000 0.863 548 N CB -0.013 38.497 38.487 0.038 0.000 0.983 548 N HN 0.430 nan 8.380 nan 0.000 0.429 549 E N 0.747 120.978 120.200 0.052 0.000 2.072 549 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 549 E C 1.905 178.548 176.600 0.073 0.000 0.985 549 E CA 0.789 57.224 56.400 0.058 0.000 0.801 549 E CB 0.018 29.751 29.700 0.055 0.000 0.750 549 E HN 0.348 nan 8.360 nan 0.000 0.452 550 L N 0.539 121.808 121.223 0.077 0.000 2.109 550 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 550 L C 2.415 179.333 176.870 0.081 0.000 1.086 550 L CA 0.684 55.579 54.840 0.091 0.000 0.760 550 L CB -0.362 41.752 42.059 0.093 0.000 0.910 550 L HN 0.164 nan 8.230 nan 0.000 0.437 551 I N 0.676 121.285 120.570 0.066 0.000 2.127 551 I HA -0.317 3.853 4.170 -0.000 0.000 0.241 551 I C 3.182 179.333 176.117 0.056 0.000 1.075 551 I CA 1.899 63.233 61.300 0.056 0.000 1.334 551 I CB -0.750 37.279 38.000 0.048 0.000 1.040 551 I HN 0.361 nan 8.210 nan 0.000 0.405 552 E N 1.322 121.557 120.200 0.058 0.000 2.085 552 E HA -0.320 4.030 4.350 -0.000 0.000 0.194 552 E C 2.125 178.769 176.600 0.073 0.000 0.994 552 E CA 1.871 58.306 56.400 0.058 0.000 0.801 552 E CB -0.666 29.066 29.700 0.054 0.000 0.743 552 E HN 0.522 nan 8.360 nan 0.000 0.453 553 K N -0.114 120.341 120.400 0.093 0.000 2.032 553 K HA -0.225 4.095 4.320 -0.000 0.000 0.209 553 K C 2.410 179.080 176.600 0.116 0.000 1.048 553 K CA 1.815 58.178 56.287 0.126 0.000 0.927 553 K CB -0.071 32.528 32.500 0.165 0.000 0.712 553 K HN 0.337 nan 8.250 nan 0.000 0.441 554 E N 0.770 121.021 120.200 0.086 0.000 2.110 554 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 554 E C 1.261 177.889 176.600 0.046 0.000 0.988 554 E CA 1.882 58.315 56.400 0.053 0.000 0.804 554 E CB -0.190 29.532 29.700 0.036 0.000 0.745 554 E HN 0.441 nan 8.360 nan 0.000 0.458 555 N N -0.092 118.638 118.700 0.049 0.000 2.120 555 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 555 N C 1.698 177.237 175.510 0.048 0.000 1.024 555 N CA 1.260 54.334 53.050 0.041 0.000 0.852 555 N CB -0.117 38.393 38.487 0.038 0.000 1.003 555 N HN 0.267 nan 8.380 nan 0.000 0.424 556 E N 0.703 120.943 120.200 0.066 0.000 2.051 556 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 556 E C 1.978 178.631 176.600 0.088 0.000 0.991 556 E CA 1.097 57.541 56.400 0.074 0.000 0.799 556 E CB -0.012 29.741 29.700 0.088 0.000 0.748 556 E HN 0.385 nan 8.360 nan 0.000 0.449 557 M N 0.271 119.939 119.600 0.114 0.000 2.175 557 M HA -0.152 4.328 4.480 -0.000 0.000 0.264 557 M C 2.279 178.630 176.300 0.086 0.000 1.063 557 M CA 1.173 56.561 55.300 0.147 0.000 1.119 557 M CB -0.204 32.493 32.600 0.162 0.000 1.377 557 M HN 0.129 nan 8.290 nan 0.000 0.415 558 L N -0.022 121.228 121.223 0.044 0.000 1.994 558 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 558 L C 2.889 179.773 176.870 0.023 0.000 1.071 558 L CA 1.437 56.287 54.840 0.017 0.000 0.745 558 L CB -0.872 41.190 42.059 0.005 0.000 0.892 558 L HN 0.300 nan 8.230 nan 0.000 0.431 559 A N -0.568 122.269 122.820 0.029 0.000 1.892 559 A HA -0.348 3.972 4.320 -0.000 0.000 0.218 559 A C 2.258 179.861 177.584 0.032 0.000 1.188 559 A CA 2.325 54.378 52.037 0.027 0.000 0.631 559 A CB -0.781 18.236 19.000 0.029 0.000 0.822 559 A HN 0.561 nan 8.150 nan 0.000 0.447 560 Q N -0.807 119.020 119.800 0.046 0.000 2.050 560 Q HA -0.240 4.100 4.340 -0.000 0.000 0.202 560 Q C 1.433 177.463 176.000 0.049 0.000 0.980 560 Q CA 1.837 57.669 55.803 0.049 0.000 0.840 560 Q CB -0.231 28.542 28.738 0.059 0.000 0.898 560 Q HN 0.597 nan 8.270 nan 0.000 0.424 561 D N 0.446 120.878 120.400 0.053 0.000 2.123 561 D HA -0.180 4.460 4.640 -0.000 0.000 0.196 561 D C 1.685 177.996 176.300 0.018 0.000 0.992 561 D CA 1.293 55.312 54.000 0.033 0.000 0.833 561 D CB -0.126 40.680 40.800 0.009 0.000 0.954 561 D HN 0.291 nan 8.370 nan 0.000 0.455 562 K N 0.124 120.532 120.400 0.012 0.000 2.057 562 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 562 K C 2.136 178.741 176.600 0.009 0.000 1.050 562 K CA 0.532 56.821 56.287 0.003 0.000 0.935 562 K CB -0.187 32.313 32.500 -0.000 0.000 0.715 562 K HN -0.003 nan 8.250 nan 0.000 0.439 563 L N 1.082 122.316 121.223 0.019 0.000 2.012 563 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 563 L C 2.026 178.914 176.870 0.030 0.000 1.073 563 L CA 1.479 56.334 54.840 0.025 0.000 0.748 563 L CB -0.445 41.632 42.059 0.030 0.000 0.891 563 L HN 0.006 nan 8.230 nan 0.000 0.431 564 V N -0.015 119.918 119.914 0.031 0.000 2.343 564 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 564 V C 2.781 178.885 176.094 0.016 0.000 1.051 564 V CA 1.648 63.968 62.300 0.033 0.000 1.036 564 V CB -1.358 30.489 31.823 0.041 0.000 0.654 564 V HN 0.615 nan 8.190 nan 0.000 0.451 565 A N -0.431 122.395 122.820 0.009 0.000 1.902 565 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 565 A C 2.177 179.746 177.584 -0.024 0.000 1.181 565 A CA 1.891 53.923 52.037 -0.007 0.000 0.623 565 A CB -0.460 18.535 19.000 -0.009 0.000 0.818 565 A HN 0.622 nan 8.150 nan 0.000 0.443 566 E N -0.845 119.347 120.200 -0.014 0.000 2.106 566 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 566 E C 2.048 178.639 176.600 -0.015 0.000 0.984 566 E CA 1.533 57.921 56.400 -0.019 0.000 0.806 566 E CB -0.260 29.436 29.700 -0.006 0.000 0.750 566 E HN 0.611 nan 8.360 nan 0.000 0.458 567 T N 1.027 115.590 114.554 0.015 0.000 2.788 567 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 567 T C 1.599 176.242 174.700 -0.095 0.000 1.044 567 T CA 1.233 63.365 62.100 0.054 0.000 1.139 567 T CB -0.160 68.778 68.868 0.118 0.000 0.867 567 T HN 0.208 nan 8.240 nan 0.000 0.454 568 E N 0.582 120.719 120.200 -0.105 0.000 2.107 568 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 568 E C 2.024 178.508 176.600 -0.193 0.000 0.982 568 E CA 0.982 57.277 56.400 -0.175 0.000 0.809 568 E CB -0.075 29.561 29.700 -0.106 0.000 0.756 568 E HN 0.416 nan 8.360 nan 0.000 0.459 569 D N 0.294 120.613 120.400 -0.135 0.000 2.097 569 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 569 D C 1.938 178.143 176.300 -0.159 0.000 0.984 569 D CA 0.883 54.807 54.000 -0.126 0.000 0.826 569 D CB 0.258 41.004 40.800 -0.090 0.000 0.973 569 D HN -0.115 nan 8.370 nan 0.000 0.460 570 R N 0.574 120.982 120.500 -0.153 0.000 2.105 570 R HA -0.126 4.214 4.340 -0.000 0.000 0.239 570 R C 2.220 178.385 176.300 -0.225 0.000 1.135 570 R CA 1.048 57.060 56.100 -0.146 0.000 0.967 570 R CB -0.753 29.539 30.300 -0.014 0.000 0.861 570 R HN 0.340 nan 8.270 nan 0.000 0.442 571 K N 0.742 120.829 120.400 -0.523 0.000 2.026 571 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 571 K C 1.857 178.262 176.600 -0.324 0.000 1.048 571 K CA 1.860 57.688 56.287 -0.765 0.000 0.929 571 K CB -0.168 31.620 32.500 -1.186 0.000 0.713 571 K HN 0.039 nan 8.250 nan 0.000 0.439 572 N N -0.487 118.064 118.700 -0.249 0.000 2.188 572 N HA -0.102 4.638 4.740 -0.000 0.000 0.184 572 N C 1.309 176.773 175.510 -0.078 0.000 1.018 572 N CA 1.834 54.800 53.050 -0.140 0.000 0.858 572 N CB -0.097 38.322 38.487 -0.113 0.000 0.989 572 N HN 0.160 nan 8.380 nan 0.000 0.426 573 T N 0.468 114.964 114.554 -0.098 0.000 2.821 573 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 573 T C 1.701 176.424 174.700 0.038 0.000 1.046 573 T CA 0.854 62.909 62.100 -0.076 0.000 1.139 573 T CB -0.306 68.435 68.868 -0.211 0.000 0.871 573 T HN 0.186 nan 8.240 nan 0.000 0.454 574 L N 1.529 122.786 121.223 0.057 0.000 2.017 574 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 574 L C 2.390 179.335 176.870 0.124 0.000 1.073 574 L CA 1.982 56.957 54.840 0.224 0.000 0.745 574 L CB -0.718 41.497 42.059 0.260 0.000 0.894 574 L HN 0.254 nan 8.230 nan 0.000 0.432 575 E N -0.684 119.508 120.200 -0.013 0.000 2.085 575 E HA -0.311 4.039 4.350 -0.000 0.000 0.194 575 E C 2.145 178.546 176.600 -0.332 0.000 0.994 575 E CA 1.512 57.791 56.400 -0.202 0.000 0.801 575 E CB -0.186 29.424 29.700 -0.149 0.000 0.743 575 E HN 0.707 nan 8.360 nan 0.000 0.453 576 E N -0.698 119.471 120.200 -0.052 0.000 2.072 576 E HA -0.237 4.113 4.350 -0.000 0.000 0.191 576 E C 1.965 178.626 176.600 0.102 0.000 0.985 576 E CA 1.055 57.498 56.400 0.072 0.000 0.801 576 E CB -0.266 29.504 29.700 0.118 0.000 0.750 576 E HN 0.363 nan 8.360 nan 0.000 0.452 577 Y N 1.081 121.402 120.300 0.036 0.000 2.224 577 Y HA -0.169 4.381 4.550 -0.000 0.000 0.289 577 Y C 1.909 177.807 175.900 -0.003 0.000 1.146 577 Y CA 1.520 59.665 58.100 0.076 0.000 1.182 577 Y CB -0.145 38.447 38.460 0.221 0.000 0.983 577 Y HN 0.057 nan 8.280 nan 0.000 0.524 578 I N -0.941 119.574 120.570 -0.092 0.000 2.118 578 I HA -0.431 3.739 4.170 -0.000 0.000 0.241 578 I C 1.991 178.018 176.117 -0.150 0.000 1.070 578 I CA 2.056 63.241 61.300 -0.190 0.000 1.327 578 I CB -0.702 37.162 38.000 -0.226 0.000 1.034 578 I HN 0.208 nan 8.210 nan 0.000 0.405 579 Y N 0.103 120.394 120.300 -0.016 0.000 2.242 579 Y HA -0.211 4.339 4.550 -0.000 0.000 0.291 579 Y C 2.839 178.689 175.900 -0.083 0.000 1.137 579 Y CA 1.122 59.204 58.100 -0.030 0.000 1.181 579 Y CB -0.777 37.684 38.460 0.001 0.000 0.989 579 Y HN 0.131 nan 8.280 nan 0.000 0.527 580 T N 0.599 115.172 114.554 0.031 0.000 2.732 580 T HA -0.159 4.191 4.350 -0.000 0.000 0.261 580 T C 1.852 176.437 174.700 -0.192 0.000 1.040 580 T CA 1.205 63.272 62.100 -0.055 0.000 1.145 580 T CB -0.559 68.304 68.868 -0.009 0.000 0.866 580 T HN 0.150 nan 8.240 nan 0.000 0.427 581 L N 1.452 122.469 121.223 -0.343 0.000 2.093 581 L HA 0.086 4.426 4.340 -0.000 0.000 0.208 581 L C 2.497 179.237 176.870 -0.217 0.000 1.085 581 L CA 1.659 56.274 54.840 -0.374 0.000 0.755 581 L CB -0.538 41.117 42.059 -0.673 0.000 0.904 581 L HN 0.068 nan 8.230 nan 0.000 0.435 582 R N -0.699 119.710 120.500 -0.152 0.000 2.091 582 R HA -0.139 4.201 4.340 -0.000 0.000 0.238 582 R C 2.130 178.384 176.300 -0.076 0.000 1.136 582 R CA 1.519 57.576 56.100 -0.072 0.000 0.959 582 R CB -0.752 29.544 30.300 -0.007 0.000 0.856 582 R HN 0.527 nan 8.270 nan 0.000 0.437 583 G N 0.615 109.360 108.800 -0.092 0.000 2.402 583 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.216 583 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.216 583 G C 1.214 176.011 174.900 -0.173 0.000 1.162 583 G CA 0.557 45.596 45.100 -0.103 0.000 0.777 583 G HN 0.304 nan 8.290 nan 0.000 0.539 584 K N -0.149 120.075 120.400 -0.293 0.000 2.148 584 K HA 0.156 4.476 4.320 -0.000 0.000 0.204 584 K C 2.436 178.827 176.600 -0.348 0.000 1.050 584 K CA 0.381 56.350 56.287 -0.528 0.000 0.942 584 K CB -0.224 31.634 32.500 -1.071 0.000 0.724 584 K HN 0.237 nan 8.250 nan 0.000 0.446 585 L N 1.088 122.223 121.223 -0.146 0.000 2.131 585 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 585 L C 2.870 179.741 176.870 0.002 0.000 1.092 585 L CA 1.775 56.627 54.840 0.019 0.000 0.759 585 L CB -0.651 41.425 42.059 0.029 0.000 0.903 585 L HN 0.380 nan 8.230 nan 0.000 0.435 586 E N -0.220 119.956 120.200 -0.040 0.000 2.285 586 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 586 E C 1.555 178.136 176.600 -0.032 0.000 0.997 586 E CA 0.980 57.362 56.400 -0.029 0.000 0.845 586 E CB -0.023 29.657 29.700 -0.033 0.000 0.782 586 E HN 0.553 nan 8.360 nan 0.000 0.491 587 E N -0.440 119.723 120.200 -0.062 0.000 3.592 587 E HA 0.134 4.484 4.350 -0.000 0.000 0.326 587 E C 1.930 178.515 176.600 -0.025 0.000 0.745 587 E CA 0.365 56.731 56.400 -0.056 0.000 1.407 587 E CB -0.447 29.197 29.700 -0.093 0.000 2.564 587 E HN 0.338 nan 8.360 nan 0.000 0.527 588 E N 0.599 120.745 120.200 -0.090 0.000 2.160 588 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 588 E C 1.695 178.414 176.600 0.197 0.000 0.991 588 E CA 1.174 57.556 56.400 -0.030 0.000 0.810 588 E CB -0.168 29.317 29.700 -0.358 0.000 0.742 588 E HN 0.267 nan 8.360 nan 0.000 0.466 589 Y N -0.034 120.226 120.300 -0.066 0.000 2.546 589 Y HA 0.286 4.836 4.550 -0.000 0.000 0.287 589 Y C 2.070 178.064 175.900 0.157 0.000 1.158 589 Y CA -0.225 57.939 58.100 0.107 0.000 1.307 589 Y CB -0.771 37.682 38.460 -0.012 0.000 1.036 589 Y HN 0.051 nan 8.280 nan 0.000 0.532 590 A N 1.018 123.954 122.820 0.193 0.000 1.908 590 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 590 A C -0.067 177.501 177.584 -0.026 0.000 1.181 590 A CA 1.359 53.438 52.037 0.068 0.000 0.627 590 A CB -1.660 17.353 19.000 0.022 0.000 0.818 590 A HN 0.257 nan 8.150 nan 0.000 0.445 591 P HA 0.021 nan 4.420 nan 0.000 0.242 591 P C -0.037 176.934 177.300 -0.549 0.000 1.197 591 P CA 0.655 63.492 63.100 -0.437 0.000 0.765 591 P CB -0.108 31.169 31.700 -0.705 0.000 0.936 592 F N -0.842 119.145 119.950 0.062 0.000 2.735 592 F HA 0.519 5.046 4.527 -0.000 0.000 0.304 592 F C 0.720 176.523 175.800 0.005 0.000 1.119 592 F CA -0.595 57.425 58.000 0.033 0.000 1.280 592 F CB 0.220 39.241 39.000 0.034 0.000 0.994 592 F HN -0.219 nan 8.300 nan 0.000 0.520 593 A N 0.198 123.082 122.820 0.108 0.000 2.427 593 A HA 0.612 4.932 4.320 -0.000 0.000 0.298 593 A C 0.108 177.713 177.584 0.036 0.000 1.036 593 A CA -0.641 51.440 52.037 0.073 0.000 0.701 593 A CB 0.695 19.742 19.000 0.078 0.000 1.250 593 A HN 0.133 nan 8.150 nan 0.000 0.412 594 S N 1.121 116.838 115.700 0.029 0.000 2.580 594 S HA 0.111 4.581 4.470 -0.000 0.000 0.266 594 S C 0.808 175.417 174.600 0.014 0.000 1.354 594 S CA 0.828 59.038 58.200 0.016 0.000 1.008 594 S CB 0.653 63.861 63.200 0.014 0.000 0.898 594 S HN 0.857 nan 8.310 nan 0.000 0.555 595 D N 1.888 122.293 120.400 0.008 0.000 2.104 595 D HA -0.157 4.483 4.640 -0.000 0.000 0.194 595 D C 2.051 178.357 176.300 0.009 0.000 0.994 595 D CA 1.895 55.899 54.000 0.007 0.000 0.830 595 D CB -0.581 40.221 40.800 0.003 0.000 0.959 595 D HN 0.715 nan 8.370 nan 0.000 0.452 596 A N 0.202 123.027 122.820 0.008 0.000 1.908 596 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 596 A C 2.158 179.749 177.584 0.010 0.000 1.181 596 A CA 1.943 53.984 52.037 0.008 0.000 0.627 596 A CB -0.802 18.202 19.000 0.006 0.000 0.818 596 A HN 0.403 nan 8.150 nan 0.000 0.445 597 E N -0.714 119.494 120.200 0.013 0.000 2.051 597 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 597 E C 2.144 178.756 176.600 0.020 0.000 0.991 597 E CA 1.425 57.835 56.400 0.017 0.000 0.799 597 E CB -0.122 29.590 29.700 0.021 0.000 0.748 597 E HN 0.641 nan 8.360 nan 0.000 0.449 598 K N 0.252 120.666 120.400 0.023 0.000 2.026 598 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 598 K C 2.378 178.989 176.600 0.017 0.000 1.048 598 K CA 1.924 58.226 56.287 0.025 0.000 0.929 598 K CB -0.111 32.404 32.500 0.025 0.000 0.713 598 K HN 0.217 nan 8.250 nan 0.000 0.439 599 T N -1.052 113.510 114.554 0.013 0.000 2.812 599 T HA -0.139 4.211 4.350 -0.000 0.000 0.264 599 T C 1.892 176.598 174.700 0.010 0.000 1.042 599 T CA 1.392 63.499 62.100 0.011 0.000 1.140 599 T CB -0.183 68.691 68.868 0.009 0.000 0.870 599 T HN 0.228 nan 8.240 nan 0.000 0.445 600 K N 0.362 120.767 120.400 0.009 0.000 2.032 600 K HA -0.048 4.272 4.320 -0.000 0.000 0.209 600 K C 2.236 178.840 176.600 0.006 0.000 1.048 600 K CA 1.226 57.516 56.287 0.007 0.000 0.927 600 K CB -0.575 31.928 32.500 0.004 0.000 0.712 600 K HN 0.232 nan 8.250 nan 0.000 0.441 601 L N 1.764 122.992 121.223 0.009 0.000 2.017 601 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 601 L C 2.213 179.086 176.870 0.005 0.000 1.073 601 L CA 1.769 56.613 54.840 0.007 0.000 0.745 601 L CB -0.843 41.224 42.059 0.013 0.000 0.894 601 L HN 0.349 nan 8.230 nan 0.000 0.432 602 Q N -1.155 118.651 119.800 0.008 0.000 2.096 602 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 602 Q C 2.058 178.068 176.000 0.016 0.000 0.982 602 Q CA 1.579 57.388 55.803 0.010 0.000 0.850 602 Q CB -0.574 28.171 28.738 0.012 0.000 0.901 602 Q HN 0.664 nan 8.270 nan 0.000 0.422 603 G N 0.250 109.059 108.800 0.015 0.000 2.422 603 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 603 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 603 G C 1.343 176.256 174.900 0.021 0.000 1.146 603 G CA 0.631 45.742 45.100 0.019 0.000 0.769 603 G HN 0.192 nan 8.290 nan 0.000 0.547 604 M N -0.228 119.380 119.600 0.012 0.000 2.200 604 M HA 0.157 4.637 4.480 -0.000 0.000 0.265 604 M C 2.498 178.809 176.300 0.018 0.000 1.066 604 M CA 0.757 56.061 55.300 0.008 0.000 1.127 604 M CB -0.228 32.369 32.600 -0.004 0.000 1.379 604 M HN 0.145 nan 8.290 nan 0.000 0.420 605 L N 0.114 121.347 121.223 0.017 0.000 2.046 605 L HA -0.261 4.079 4.340 -0.000 0.000 0.208 605 L C 2.137 179.040 176.870 0.054 0.000 1.077 605 L CA 1.001 55.854 54.840 0.021 0.000 0.747 605 L CB -0.842 41.216 42.059 -0.002 0.000 0.896 605 L HN 0.341 nan 8.230 nan 0.000 0.432 606 N N 0.371 119.105 118.700 0.056 0.000 2.142 606 N HA -0.178 4.562 4.740 -0.000 0.000 0.186 606 N C 2.112 177.683 175.510 0.102 0.000 1.023 606 N CA 1.942 55.039 53.050 0.077 0.000 0.852 606 N CB -0.419 38.103 38.487 0.059 0.000 0.998 606 N HN 0.331 nan 8.380 nan 0.000 0.424 607 K N 1.152 121.603 120.400 0.085 0.000 2.026 607 K HA 0.122 4.442 4.320 -0.000 0.000 0.208 607 K C 2.201 178.899 176.600 0.163 0.000 1.048 607 K CA 1.562 57.911 56.287 0.104 0.000 0.929 607 K CB -1.229 31.306 32.500 0.058 0.000 0.713 607 K HN 0.301 nan 8.250 nan 0.000 0.439 608 A N 0.801 123.699 122.820 0.129 0.000 1.972 608 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 608 A C 2.200 179.965 177.584 0.301 0.000 1.169 608 A CA 1.913 54.063 52.037 0.188 0.000 0.635 608 A CB -0.320 18.738 19.000 0.098 0.000 0.810 608 A HN 0.738 nan 8.150 nan 0.000 0.446 609 E N -0.426 119.909 120.200 0.225 0.000 2.072 609 E HA -0.215 4.135 4.350 -0.000 0.000 0.191 609 E C 2.013 178.839 176.600 0.377 0.000 0.985 609 E CA 1.155 57.712 56.400 0.261 0.000 0.801 609 E CB -0.128 29.703 29.700 0.219 0.000 0.750 609 E HN 0.762 nan 8.360 nan 0.000 0.452 610 E N -0.385 120.001 120.200 0.310 0.000 2.110 610 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 610 E C 1.717 178.529 176.600 0.353 0.000 0.988 610 E CA 1.145 57.722 56.400 0.296 0.000 0.804 610 E CB -0.259 29.558 29.700 0.195 0.000 0.745 610 E HN 0.396 nan 8.360 nan 0.000 0.458 611 W N 1.063 122.460 121.300 0.163 0.000 2.363 611 W HA -0.135 4.525 4.660 -0.000 0.000 0.296 611 W C 1.693 178.310 176.519 0.164 0.000 1.212 611 W CA 1.219 58.647 57.345 0.138 0.000 1.260 611 W CB -0.245 29.273 29.460 0.096 0.000 1.131 611 W HN 0.062 nan 8.180 nan 0.000 0.530 612 L N -0.497 120.848 121.223 0.202 0.000 2.187 612 L HA -0.254 4.086 4.340 -0.000 0.000 0.213 612 L C 1.835 178.613 176.870 -0.153 0.000 1.100 612 L CA 1.251 56.052 54.840 -0.065 0.000 0.765 612 L CB -0.643 41.396 42.059 -0.033 0.000 0.904 612 L HN 0.046 nan 8.230 nan 0.000 0.437 613 Y N -1.654 118.686 120.300 0.066 0.000 2.523 613 Y HA -0.045 4.505 4.550 -0.000 0.000 0.279 613 Y C 1.831 177.748 175.900 0.029 0.000 1.139 613 Y CA 0.209 58.374 58.100 0.109 0.000 1.296 613 Y CB 0.113 38.628 38.460 0.092 0.000 1.045 613 Y HN 0.175 nan 8.280 nan 0.000 0.538 614 D N -0.294 120.145 120.400 0.065 0.000 3.016 614 D HA 0.007 4.647 4.640 -0.000 0.000 0.237 614 D C 1.362 177.573 176.300 -0.148 0.000 1.275 614 D CA 0.422 54.409 54.000 -0.022 0.000 1.231 614 D CB 0.020 40.831 40.800 0.019 0.000 0.924 614 D HN 0.073 nan 8.370 nan 0.000 0.200 615 E N -0.471 119.568 120.200 -0.269 0.000 2.268 615 E HA 0.035 4.385 4.350 -0.000 0.000 0.195 615 E C 1.630 177.816 176.600 -0.689 0.000 0.995 615 E CA 0.796 57.010 56.400 -0.309 0.000 0.836 615 E CB -0.066 29.590 29.700 -0.072 0.000 0.763 615 E HN 0.381 nan 8.360 nan 0.000 0.491 616 G N -0.035 107.914 108.800 -1.419 0.000 2.813 616 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.209 616 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.209 616 G C 1.096 175.697 174.900 -0.499 0.000 1.150 616 G CA -0.325 43.733 45.100 -1.736 0.000 0.785 616 G HN 0.184 nan 8.290 nan 0.000 0.535 617 F N 1.052 120.763 119.950 -0.398 0.000 2.102 617 F HA 0.013 4.540 4.527 -0.000 0.000 0.298 617 F C 0.608 176.357 175.800 -0.085 0.000 1.105 617 F CA 1.422 59.304 58.000 -0.197 0.000 1.239 617 F CB 0.455 39.370 39.000 -0.142 0.000 0.991 617 F HN 0.138 nan 8.300 nan 0.000 0.474 618 D N 0.260 120.737 120.400 0.128 0.000 2.468 618 D HA 0.210 4.850 4.640 -0.000 0.000 0.272 618 D C -0.829 175.507 176.300 0.060 0.000 1.221 618 D CA -0.017 54.046 54.000 0.106 0.000 0.860 618 D CB 0.661 41.581 40.800 0.199 0.000 1.190 618 D HN 0.095 nan 8.370 nan 0.000 0.509 619 S N 1.084 116.817 115.700 0.056 0.000 2.776 619 S HA 0.738 5.208 4.470 -0.000 0.000 0.306 619 S C 0.112 174.691 174.600 -0.035 0.000 1.114 619 S CA -0.813 57.320 58.200 -0.111 0.000 0.973 619 S CB 0.604 63.556 63.200 -0.412 0.000 1.250 619 S HN 0.408 nan 8.310 nan 0.000 0.549 620 I N 0.095 120.602 120.570 -0.105 0.000 2.664 620 I HA 0.529 4.699 4.170 -0.000 0.000 0.308 620 I C 1.292 177.415 176.117 0.009 0.000 0.984 620 I CA -0.674 60.626 61.300 0.000 0.000 1.213 620 I CB 0.992 39.000 38.000 0.013 0.000 1.379 620 I HN 0.758 nan 8.210 nan 0.000 0.501 621 K N 3.570 124.057 120.400 0.144 0.000 2.059 621 K HA -0.249 4.071 4.320 -0.000 0.000 0.212 621 K C 1.850 178.524 176.600 0.124 0.000 1.050 621 K CA 2.325 58.733 56.287 0.202 0.000 0.927 621 K CB -0.338 32.235 32.500 0.121 0.000 0.714 621 K HN 0.911 nan 8.250 nan 0.000 0.447 622 A N 1.194 124.044 122.820 0.050 0.000 2.019 622 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 622 A C 1.817 179.399 177.584 -0.004 0.000 1.164 622 A CA 1.625 53.676 52.037 0.023 0.000 0.644 622 A CB -0.259 18.747 19.000 0.010 0.000 0.805 622 A HN 0.372 nan 8.150 nan 0.000 0.449 623 K N -1.720 118.652 120.400 -0.047 0.000 2.186 623 K HA -0.023 4.297 4.320 -0.000 0.000 0.202 623 K C 1.707 178.247 176.600 -0.100 0.000 1.052 623 K CA 1.071 57.293 56.287 -0.108 0.000 0.965 623 K CB -0.259 32.201 32.500 -0.066 0.000 0.746 623 K HN 0.562 nan 8.250 nan 0.000 0.457 624 Y N 1.514 121.914 120.300 0.166 0.000 2.224 624 Y HA -0.121 4.429 4.550 -0.000 0.000 0.289 624 Y C 2.114 178.059 175.900 0.075 0.000 1.146 624 Y CA 0.677 58.872 58.100 0.159 0.000 1.182 624 Y CB -0.515 38.029 38.460 0.140 0.000 0.983 624 Y HN -0.038 nan 8.280 nan 0.000 0.524 625 I N -0.573 120.102 120.570 0.176 0.000 2.163 625 I HA -0.311 3.859 4.170 -0.000 0.000 0.240 625 I C 2.586 178.765 176.117 0.104 0.000 1.081 625 I CA 1.254 62.618 61.300 0.106 0.000 1.353 625 I CB -0.657 37.376 38.000 0.055 0.000 1.054 625 I HN 0.172 nan 8.210 nan 0.000 0.407 626 A N 0.589 123.427 122.820 0.029 0.000 1.902 626 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 626 A C 2.315 179.864 177.584 -0.059 0.000 1.181 626 A CA 1.478 53.501 52.037 -0.024 0.000 0.623 626 A CB -0.380 18.580 19.000 -0.067 0.000 0.818 626 A HN 0.215 nan 8.150 nan 0.000 0.443 627 K N -1.332 118.999 120.400 -0.116 0.000 2.057 627 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 627 K C 1.876 178.470 176.600 -0.011 0.000 1.049 627 K CA 1.675 57.861 56.287 -0.169 0.000 0.931 627 K CB -0.647 31.642 32.500 -0.351 0.000 0.714 627 K HN 0.691 nan 8.250 nan 0.000 0.440 628 Y N 2.575 122.853 120.300 -0.036 0.000 2.145 628 Y HA -0.213 4.337 4.550 -0.000 0.000 0.286 628 Y C 2.177 178.036 175.900 -0.069 0.000 1.145 628 Y CA 1.669 59.751 58.100 -0.030 0.000 1.148 628 Y CB 0.038 38.468 38.460 -0.051 0.000 0.981 628 Y HN 0.042 nan 8.280 nan 0.000 0.507 629 E N 0.639 120.848 120.200 0.015 0.000 2.077 629 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 629 E C 2.030 178.558 176.600 -0.120 0.000 0.989 629 E CA 1.674 58.036 56.400 -0.063 0.000 0.800 629 E CB -0.379 29.335 29.700 0.023 0.000 0.746 629 E HN 0.682 nan 8.360 nan 0.000 0.452 630 E N 0.259 120.408 120.200 -0.085 0.000 2.070 630 E HA -0.207 4.143 4.350 -0.000 0.000 0.197 630 E C 2.027 178.585 176.600 -0.070 0.000 1.004 630 E CA 0.944 57.300 56.400 -0.074 0.000 0.805 630 E CB -0.065 29.589 29.700 -0.076 0.000 0.744 630 E HN 0.045 nan 8.360 nan 0.000 0.451 631 L N 0.170 121.344 121.223 -0.081 0.000 2.072 631 L HA -0.073 4.267 4.340 -0.000 0.000 0.205 631 L C 2.235 179.116 176.870 0.017 0.000 1.079 631 L CA 1.827 56.663 54.840 -0.007 0.000 0.752 631 L CB -1.009 41.093 42.059 0.072 0.000 0.906 631 L HN 0.082 nan 8.230 nan 0.000 0.436 632 A N -1.075 121.613 122.820 -0.220 0.000 1.970 632 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 632 A C 2.434 179.949 177.584 -0.114 0.000 1.170 632 A CA 1.433 53.288 52.037 -0.302 0.000 0.645 632 A CB -0.650 17.801 19.000 -0.916 0.000 0.816 632 A HN 0.524 nan 8.150 nan 0.000 0.447 633 S N 0.232 115.870 115.700 -0.102 0.000 2.399 633 S HA -0.084 4.386 4.470 -0.000 0.000 0.231 633 S C 1.810 176.396 174.600 -0.025 0.000 1.022 633 S CA 1.440 59.609 58.200 -0.052 0.000 0.983 633 S CB -0.628 62.545 63.200 -0.045 0.000 0.803 633 S HN 0.458 nan 8.310 nan 0.000 0.480 634 L N 1.257 122.472 121.223 -0.013 0.000 2.068 634 L HA 0.167 4.507 4.340 -0.000 0.000 0.204 634 L C 3.062 179.946 176.870 0.023 0.000 1.076 634 L CA 0.963 55.805 54.840 0.003 0.000 0.753 634 L CB -1.354 40.708 42.059 0.005 0.000 0.910 634 L HN 0.483 nan 8.230 nan 0.000 0.439 635 G N 0.449 109.291 108.800 0.070 0.000 2.446 635 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 635 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 635 G C 1.358 176.307 174.900 0.081 0.000 1.168 635 G CA 0.888 46.068 45.100 0.132 0.000 0.771 635 G HN 0.316 nan 8.290 nan 0.000 0.551 636 N N 0.563 119.298 118.700 0.059 0.000 2.309 636 N HA -0.013 4.727 4.740 -0.000 0.000 0.182 636 N C 2.180 177.666 175.510 -0.040 0.000 1.018 636 N CA 0.562 53.620 53.050 0.015 0.000 0.876 636 N CB -0.168 38.323 38.487 0.007 0.000 0.972 636 N HN 0.383 nan 8.380 nan 0.000 0.434 637 I N 0.705 121.252 120.570 -0.037 0.000 2.179 637 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 637 I C 1.884 177.948 176.117 -0.087 0.000 1.088 637 I CA 0.940 62.211 61.300 -0.048 0.000 1.357 637 I CB -0.151 37.833 38.000 -0.026 0.000 1.051 637 I HN 0.007 nan 8.210 nan 0.000 0.409 638 I N 0.324 120.826 120.570 -0.114 0.000 2.252 638 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 638 I C 2.749 178.586 176.117 -0.466 0.000 1.102 638 I CA 1.201 62.380 61.300 -0.201 0.000 1.385 638 I CB -0.396 37.514 38.000 -0.150 0.000 1.064 638 I HN 0.143 nan 8.210 nan 0.000 0.414 639 R N 1.221 121.391 120.500 -0.551 0.000 2.096 639 R HA -0.186 4.154 4.340 -0.000 0.000 0.240 639 R C 2.345 178.500 176.300 -0.242 0.000 1.139 639 R CA 1.971 57.761 56.100 -0.516 0.000 0.952 639 R CB -0.812 29.405 30.300 -0.139 0.000 0.854 639 R HN 0.410 nan 8.270 nan 0.000 0.436 640 G N 0.362 109.063 108.800 -0.164 0.000 2.469 640 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.219 640 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.219 640 G C 1.409 176.205 174.900 -0.174 0.000 1.150 640 G CA 1.042 46.068 45.100 -0.124 0.000 0.763 640 G HN 0.367 nan 8.290 nan 0.000 0.561 641 R N -1.089 119.284 120.500 -0.211 0.000 2.066 641 R HA -0.021 4.319 4.340 -0.000 0.000 0.232 641 R C 2.338 178.268 176.300 -0.617 0.000 1.131 641 R CA 1.241 57.192 56.100 -0.248 0.000 0.955 641 R CB -0.676 29.575 30.300 -0.082 0.000 0.851 641 R HN 0.520 nan 8.270 nan 0.000 0.432 642 Y N 1.832 121.502 120.300 -1.049 0.000 2.081 642 Y HA -0.242 4.308 4.550 -0.000 0.000 0.280 642 Y C 1.961 177.487 175.900 -0.623 0.000 1.163 642 Y CA 1.638 58.912 58.100 -1.378 0.000 1.135 642 Y CB -0.295 37.688 38.460 -0.795 0.000 0.970 642 Y HN -0.051 nan 8.280 nan 0.000 0.498 643 L N 0.028 120.974 121.223 -0.463 0.000 2.261 643 L HA -0.230 4.110 4.340 -0.000 0.000 0.216 643 L C 2.660 179.348 176.870 -0.303 0.000 1.114 643 L CA 0.995 55.617 54.840 -0.364 0.000 0.777 643 L CB -0.821 41.158 42.059 -0.135 0.000 0.910 643 L HN 0.445 nan 8.230 nan 0.000 0.440 644 A N 0.224 122.875 122.820 -0.282 0.000 1.975 644 A HA -0.072 4.247 4.320 -0.000 0.000 0.215 644 A C 2.582 180.072 177.584 -0.158 0.000 1.170 644 A CA 1.462 53.392 52.037 -0.179 0.000 0.656 644 A CB -0.389 18.534 19.000 -0.128 0.000 0.821 644 A HN 0.324 nan 8.150 nan 0.000 0.449 645 K N 0.177 120.448 120.400 -0.215 0.000 2.296 645 K HA 0.036 4.356 4.320 -0.000 0.000 0.200 645 K C 1.642 178.174 176.600 -0.113 0.000 1.048 645 K CA 1.284 57.526 56.287 -0.075 0.000 0.966 645 K CB -0.377 32.207 32.500 0.140 0.000 0.754 645 K HN 0.572 nan 8.250 nan 0.000 0.466 646 E N 0.813 120.861 120.200 -0.253 0.000 2.001 646 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 646 E C 1.912 178.439 176.600 -0.122 0.000 0.994 646 E CA 0.863 57.134 56.400 -0.215 0.000 0.815 646 E CB -0.226 29.278 29.700 -0.327 0.000 0.770 646 E HN 0.557 nan 8.360 nan 0.000 0.453 647 E N 0.684 120.810 120.200 -0.123 0.000 2.169 647 E HA -0.245 4.105 4.350 -0.000 0.000 0.202 647 E C 1.965 178.534 176.600 -0.053 0.000 1.016 647 E CA 1.655 58.008 56.400 -0.077 0.000 0.817 647 E CB -0.128 29.527 29.700 -0.075 0.000 0.736 647 E HN 0.521 nan 8.360 nan 0.000 0.462 648 E N 0.754 120.924 120.200 -0.050 0.000 2.442 648 E HA -0.088 4.262 4.350 -0.000 0.000 0.195 648 E C 1.652 178.241 176.600 -0.018 0.000 1.030 648 E CA 0.556 56.938 56.400 -0.029 0.000 0.869 648 E CB -0.084 29.603 29.700 -0.022 0.000 0.857 648 E HN 0.175 nan 8.360 nan 0.000 0.505 649 K N -0.118 120.271 120.400 -0.019 0.000 2.367 649 K HA 0.209 4.529 4.320 -0.000 0.000 0.194 649 K C 1.947 178.540 176.600 -0.013 0.000 1.027 649 K CA 0.502 56.784 56.287 -0.010 0.000 1.075 649 K CB 0.371 32.871 32.500 0.000 0.000 0.845 649 K HN 0.049 nan 8.250 nan 0.000 0.529 650 K N 0.872 121.259 120.400 -0.022 0.000 2.486 650 K HA 0.024 4.344 4.320 -0.000 0.000 0.194 650 K C 2.085 178.676 176.600 -0.015 0.000 1.033 650 K CA 1.330 57.606 56.287 -0.019 0.000 1.004 650 K CB -0.797 31.687 32.500 -0.026 0.000 0.798 650 K HN 0.535 nan 8.250 nan 0.000 0.495 651 Q N -0.869 118.922 119.800 -0.015 0.000 2.394 651 Q HA 0.556 4.896 4.340 -0.000 0.000 0.218 651 Q C 2.544 178.540 176.000 -0.007 0.000 0.907 651 Q CA 1.063 56.859 55.803 -0.011 0.000 0.919 651 Q CB -0.363 28.367 28.738 -0.013 0.000 1.051 651 Q HN 0.803 nan 8.270 nan 0.000 0.538 652 A N 0.758 123.575 122.820 -0.006 0.000 2.019 652 A HA 0.214 4.534 4.320 -0.000 0.000 0.219 652 A C 2.460 180.043 177.584 -0.002 0.000 1.164 652 A CA 2.279 54.314 52.037 -0.003 0.000 0.644 652 A CB -1.005 17.995 19.000 -0.000 0.000 0.805 652 A HN 1.224 nan 8.150 nan 0.000 0.449 653 I N -0.789 119.779 120.570 -0.003 0.000 2.141 653 I HA 0.065 4.235 4.170 -0.000 0.000 0.236 653 I C 2.853 178.968 176.117 -0.003 0.000 1.071 653 I CA 2.508 63.806 61.300 -0.002 0.000 1.345 653 I CB -1.999 35.999 38.000 -0.003 0.000 1.066 653 I HN 0.591 nan 8.210 nan 0.000 0.406 654 R N 0.704 121.201 120.500 -0.005 0.000 2.193 654 R HA 0.337 4.677 4.340 -0.000 0.000 0.229 654 R C 1.494 177.792 176.300 -0.004 0.000 1.110 654 R CA 2.063 58.161 56.100 -0.005 0.000 0.988 654 R CB -1.730 28.566 30.300 -0.006 0.000 0.871 654 R HN 1.747 nan 8.270 nan 0.000 0.458 655 S N 0.000 115.698 115.700 -0.004 0.000 2.498 655 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 655 S CA 0.000 58.198 58.200 -0.003 0.000 1.107 655 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 655 S HN 0.000 nan 8.310 nan 0.000 0.517