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 2pc9_1_C DATA FIRST_RESID 3 DATA SEQUENCE RLEALGIHPK KRVFWNTVSP VLVEHTLLRG EGLLAHHGPL VVDTTPYTGR DATA SEQUENCE SPKDKFVVRE PEVEGEIWWG EVNQPFAPEA FEALYQRVVQ YLSERDLYVQ DATA SEQUENCE DLYAGADRRY RLAVRVVTES PWHALFARNM FILPRRFGNX XXVEAFVPGF DATA SEQUENCE TVVHAPYFQA VPERDGTRSE VFVGISFQRR LVLIVGTKYA GEIKKSIFTV DATA SEQUENCE MNYLMPKRGV FPMHASANVG KEGDVAVFFG LSGTGKTTLS TDPERPLIGD DATA SEQUENCE DEHGWSEDGV FNFEGGCYAK VIRLSPEHEP LIYKASNQFE AILENVVVNP DATA SEQUENCE ESRRVQWDDD SKTENTRSSY PIAHLENVVE SGVAGHPRAI FFLSADAYGV DATA SEQUENCE LPPIARLSPE EAMYYFLSGY TARVXXXXXX XTEPRATFSA CFGAPFLPMH DATA SEQUENCE PGVYARMLGE KIRKHAPRVY LVNTGWTGGP YGVGYRFPLP VTRALLKAAL DATA SEQUENCE SGALENVPYR RDPVFGFEVP LEAPGVPQEL LNPRETWADK EAYDQQARKL DATA SEQUENCE ARLFQENFQK YASGVAKEVA EAGPRTE 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 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.427 176.300 0.212 0.000 0.893 3 R CA 0.000 56.182 56.100 0.136 0.000 0.921 3 R CB 0.000 30.290 30.300 -0.017 0.000 0.687 4 L N 1.665 123.020 121.223 0.221 0.000 2.552 4 L HA -0.025 4.314 4.340 -0.003 0.000 0.227 4 L C 1.398 178.291 176.870 0.038 0.000 1.146 4 L CA 0.843 55.765 54.840 0.137 0.000 0.858 4 L CB -0.294 41.841 42.059 0.127 0.000 0.969 4 L HN 0.490 nan 8.230 nan 0.000 0.451 5 E N 1.039 121.263 120.200 0.040 0.000 2.058 5 E HA -0.203 4.146 4.350 -0.003 0.000 0.194 5 E C 2.362 178.968 176.600 0.009 0.000 0.997 5 E CA 1.508 57.916 56.400 0.013 0.000 0.801 5 E CB -0.396 29.343 29.700 0.066 0.000 0.746 5 E HN 0.398 nan 8.360 nan 0.000 0.450 6 A N 0.341 123.186 122.820 0.041 0.000 2.076 6 A HA -0.148 4.171 4.320 -0.003 0.000 0.220 6 A C 1.975 179.588 177.584 0.049 0.000 1.160 6 A CA 1.110 53.174 52.037 0.045 0.000 0.653 6 A CB -0.557 18.473 19.000 0.050 0.000 0.801 6 A HN 0.234 nan 8.150 nan 0.000 0.455 7 L N -1.901 119.354 121.223 0.052 0.000 2.558 7 L HA 0.212 4.551 4.340 -0.003 0.000 0.225 7 L C 1.669 178.598 176.870 0.100 0.000 1.128 7 L CA 0.538 55.440 54.840 0.103 0.000 0.868 7 L CB -0.121 42.002 42.059 0.106 0.000 1.006 7 L HN 0.567 nan 8.230 nan 0.000 0.454 8 G N 0.894 109.672 108.800 -0.036 0.000 2.141 8 G HA2 -0.251 3.708 3.960 -0.003 0.000 0.231 8 G HA3 -0.251 3.708 3.960 -0.003 0.000 0.231 8 G C 0.133 174.799 174.900 -0.389 0.000 0.984 8 G CA -0.356 44.662 45.100 -0.137 0.000 0.660 8 G HN 0.255 nan 8.290 nan 0.000 0.525 9 I N 1.372 121.727 120.570 -0.358 0.000 2.321 9 I HA 0.360 4.528 4.170 -0.003 0.000 0.291 9 I C 0.061 175.918 176.117 -0.434 0.000 0.998 9 I CA -0.893 60.208 61.300 -0.331 0.000 1.227 9 I CB 0.949 38.873 38.000 -0.127 0.000 1.368 9 I HN 0.136 nan 8.210 nan 0.000 0.466 10 H N 6.431 125.505 119.070 0.007 0.000 2.690 10 H HA 0.277 4.831 4.556 -0.003 0.000 0.280 10 H C -2.381 172.944 175.328 -0.005 0.000 1.138 10 H CA -2.128 53.922 56.048 0.004 0.000 1.241 10 H CB 0.199 29.960 29.762 -0.001 0.000 1.394 10 H HN 0.313 nan 8.280 nan 0.000 0.489 11 P HA -0.031 nan 4.420 nan 0.000 0.261 11 P C 0.381 177.693 177.300 0.020 0.000 1.203 11 P CA 0.133 63.250 63.100 0.029 0.000 0.767 11 P CB 0.826 32.536 31.700 0.017 0.000 0.785 12 K N 2.090 122.491 120.400 0.003 0.000 2.360 12 K HA 0.106 4.424 4.320 -0.003 0.000 0.196 12 K C 0.970 177.553 176.600 -0.028 0.000 1.049 12 K CA 0.292 56.574 56.287 -0.008 0.000 1.049 12 K CB 0.475 32.971 32.500 -0.007 0.000 0.881 12 K HN 0.313 nan 8.250 nan 0.000 0.542 13 K N 0.678 121.054 120.400 -0.040 0.000 3.705 13 K HA 0.324 4.642 4.320 -0.003 0.000 0.259 13 K C 0.456 176.997 176.600 -0.097 0.000 0.995 13 K CA -0.248 56.007 56.287 -0.053 0.000 1.722 13 K CB 0.105 32.583 32.500 -0.038 0.000 3.149 13 K HN -0.145 nan 8.250 nan 0.000 0.897 14 R N 0.059 120.470 120.500 -0.148 0.000 2.674 14 R HA 0.535 4.874 4.340 -0.003 0.000 0.266 14 R C -0.821 175.235 176.300 -0.407 0.000 1.016 14 R CA -0.657 55.240 56.100 -0.337 0.000 1.062 14 R CB 1.473 31.462 30.300 -0.520 0.000 1.142 14 R HN 0.047 nan 8.270 nan 0.000 0.517 15 V N 3.123 122.727 119.914 -0.515 0.000 2.398 15 V HA 0.300 4.418 4.120 -0.003 0.000 0.282 15 V C -1.300 174.581 176.094 -0.354 0.000 1.014 15 V CA -0.614 61.503 62.300 -0.306 0.000 0.838 15 V CB 0.885 32.700 31.823 -0.014 0.000 1.018 15 V HN 0.539 nan 8.190 nan 0.000 0.432 16 F N 3.805 123.700 119.950 -0.092 0.000 2.390 16 F HA 0.351 4.877 4.527 -0.002 0.000 0.361 16 F C 0.293 176.139 175.800 0.078 0.000 1.124 16 F CA -0.307 57.693 58.000 0.000 0.000 1.149 16 F CB 0.722 39.674 39.000 -0.079 0.000 1.160 16 F HN 0.426 nan 8.300 nan 0.000 0.501 17 W N 5.334 126.697 121.300 0.105 0.000 2.361 17 W HA 0.157 4.816 4.660 -0.003 0.000 0.309 17 W C 0.150 176.711 176.519 0.070 0.000 1.122 17 W CA -0.567 56.815 57.345 0.062 0.000 1.208 17 W CB 1.010 30.476 29.460 0.010 0.000 1.246 17 W HN 0.569 nan 8.180 nan 0.000 0.490 18 N N 2.435 121.123 118.700 -0.020 0.000 2.710 18 N HA -0.188 4.550 4.740 -0.003 0.000 0.249 18 N C -0.146 175.418 175.510 0.089 0.000 1.059 18 N CA 1.479 54.544 53.050 0.025 0.000 0.720 18 N CB -1.611 36.943 38.487 0.112 0.000 0.983 18 N HN 0.246 nan 8.380 nan 0.000 0.544 19 T N -0.249 114.376 114.554 0.118 0.000 2.905 19 T HA 0.216 4.565 4.350 -0.003 0.000 0.299 19 T C 1.361 176.099 174.700 0.063 0.000 1.024 19 T CA -0.155 62.017 62.100 0.121 0.000 1.151 19 T CB 0.869 69.828 68.868 0.152 0.000 0.987 19 T HN 0.246 nan 8.240 nan 0.000 0.535 20 V N 1.531 121.480 119.914 0.058 0.000 3.003 20 V HA 0.239 4.357 4.120 -0.003 0.000 0.305 20 V C 1.389 177.506 176.094 0.040 0.000 1.078 20 V CA -0.449 61.883 62.300 0.053 0.000 1.083 20 V CB 0.742 32.606 31.823 0.069 0.000 1.039 20 V HN 0.873 nan 8.190 nan 0.000 0.481 21 S N 3.195 118.927 115.700 0.053 0.000 2.369 21 S HA -0.129 4.340 4.470 -0.003 0.000 0.225 21 S C -0.363 174.306 174.600 0.115 0.000 1.043 21 S CA 2.484 60.710 58.200 0.044 0.000 1.074 21 S CB -1.623 61.597 63.200 0.035 0.000 0.962 21 S HN 0.882 nan 8.310 nan 0.000 0.433 22 P HA -0.079 nan 4.420 nan 0.000 0.216 22 P C 1.553 178.933 177.300 0.133 0.000 1.154 22 P CA 0.917 64.206 63.100 0.316 0.000 0.865 22 P CB -0.148 31.658 31.700 0.178 0.000 0.789 23 V N -0.854 119.074 119.914 0.023 0.000 2.358 23 V HA -0.205 3.914 4.120 -0.003 0.000 0.246 23 V C 2.449 178.379 176.094 -0.273 0.000 1.047 23 V CA 1.533 63.753 62.300 -0.133 0.000 1.035 23 V CB -1.255 30.468 31.823 -0.167 0.000 0.658 23 V HN 0.073 nan 8.190 nan 0.000 0.452 24 L N -0.381 120.740 121.223 -0.170 0.000 2.083 24 L HA -0.161 4.178 4.340 -0.003 0.000 0.209 24 L C 2.469 179.294 176.870 -0.074 0.000 1.083 24 L CA 1.130 55.865 54.840 -0.175 0.000 0.752 24 L CB -0.637 41.357 42.059 -0.108 0.000 0.899 24 L HN 0.214 nan 8.230 nan 0.000 0.433 25 V N -0.208 119.707 119.914 0.000 0.000 2.270 25 V HA -0.266 3.852 4.120 -0.003 0.000 0.245 25 V C 2.361 178.508 176.094 0.088 0.000 1.043 25 V CA 1.811 64.145 62.300 0.057 0.000 1.014 25 V CB -0.509 31.402 31.823 0.147 0.000 0.645 25 V HN 0.449 nan 8.190 nan 0.000 0.447 26 E N -0.553 119.707 120.200 0.100 0.000 2.070 26 E HA -0.267 4.082 4.350 -0.003 0.000 0.197 26 E C 2.115 178.840 176.600 0.208 0.000 1.004 26 E CA 1.867 58.352 56.400 0.141 0.000 0.805 26 E CB -0.300 29.491 29.700 0.152 0.000 0.744 26 E HN 0.747 nan 8.360 nan 0.000 0.451 27 H N -0.486 118.586 119.070 0.003 0.000 2.423 27 H HA -0.039 4.515 4.556 -0.003 0.000 0.297 27 H C 2.135 177.473 175.328 0.016 0.000 1.075 27 H CA 1.093 57.138 56.048 -0.004 0.000 1.342 27 H CB 0.189 29.921 29.762 -0.051 0.000 1.395 27 H HN 0.124 nan 8.280 nan 0.000 0.530 28 T N 1.096 115.731 114.554 0.136 0.000 2.777 28 T HA -0.088 4.261 4.350 -0.003 0.000 0.266 28 T C 2.235 176.990 174.700 0.090 0.000 1.040 28 T CA 0.689 62.858 62.100 0.115 0.000 1.141 28 T CB -0.165 68.768 68.868 0.109 0.000 0.868 28 T HN 0.202 nan 8.240 nan 0.000 0.444 29 L N 0.582 121.852 121.223 0.078 0.000 2.027 29 L HA 0.053 4.391 4.340 -0.003 0.000 0.206 29 L C 2.495 179.401 176.870 0.060 0.000 1.074 29 L CA 0.991 55.866 54.840 0.058 0.000 0.745 29 L CB -0.572 41.524 42.059 0.061 0.000 0.898 29 L HN 0.217 nan 8.230 nan 0.000 0.433 30 L N -0.160 121.107 121.223 0.072 0.000 2.191 30 L HA -0.181 4.158 4.340 -0.003 0.000 0.212 30 L C 2.404 179.304 176.870 0.050 0.000 1.103 30 L CA 1.326 56.198 54.840 0.054 0.000 0.769 30 L CB -0.122 41.964 42.059 0.046 0.000 0.908 30 L HN 0.188 nan 8.230 nan 0.000 0.438 31 R N -0.313 120.229 120.500 0.070 0.000 2.317 31 R HA 0.149 4.487 4.340 -0.003 0.000 0.208 31 R C 1.123 177.471 176.300 0.079 0.000 0.914 31 R CA 0.548 56.695 56.100 0.078 0.000 1.060 31 R CB 0.132 30.501 30.300 0.116 0.000 1.015 31 R HN 0.535 nan 8.270 nan 0.000 0.498 32 G N 1.584 110.423 108.800 0.065 0.000 2.179 32 G HA2 -0.316 3.642 3.960 -0.003 0.000 0.257 32 G HA3 -0.316 3.642 3.960 -0.003 0.000 0.257 32 G C 0.355 175.296 174.900 0.069 0.000 1.010 32 G CA 0.494 45.626 45.100 0.054 0.000 0.736 32 G HN 0.467 nan 8.290 nan 0.000 0.513 33 E N -0.452 119.803 120.200 0.092 0.000 2.463 33 E HA 0.439 4.788 4.350 -0.003 0.000 0.193 33 E C 1.202 177.787 176.600 -0.025 0.000 1.041 33 E CA 0.427 56.894 56.400 0.112 0.000 0.879 33 E CB 0.572 30.422 29.700 0.251 0.000 0.997 33 E HN 0.762 nan 8.360 nan 0.000 0.478 34 G N 0.282 109.054 108.800 -0.047 0.000 2.601 34 G HA2 0.541 4.499 3.960 -0.003 0.000 0.291 34 G HA3 0.541 4.499 3.960 -0.003 0.000 0.291 34 G C -1.745 173.110 174.900 -0.075 0.000 1.456 34 G CA -0.803 44.219 45.100 -0.130 0.000 0.804 34 G HN -0.010 nan 8.290 nan 0.000 0.499 35 L N 0.045 121.212 121.223 -0.095 0.000 2.409 35 L HA 0.553 4.891 4.340 -0.003 0.000 0.262 35 L C -0.396 176.444 176.870 -0.051 0.000 0.992 35 L CA -0.901 53.906 54.840 -0.055 0.000 0.817 35 L CB 2.440 44.464 42.059 -0.057 0.000 1.350 35 L HN 0.330 nan 8.230 nan 0.000 0.411 36 L N 1.985 123.201 121.223 -0.011 0.000 2.305 36 L HA 0.607 4.945 4.340 -0.003 0.000 0.281 36 L C 0.453 177.328 176.870 0.008 0.000 1.085 36 L CA -0.064 54.785 54.840 0.014 0.000 0.813 36 L CB 1.464 43.555 42.059 0.054 0.000 1.157 36 L HN 0.771 nan 8.230 nan 0.000 0.436 37 A N 1.993 124.821 122.820 0.012 0.000 2.326 37 A HA 0.371 4.690 4.320 -0.003 0.000 0.303 37 A C -0.637 176.994 177.584 0.078 0.000 1.164 37 A CA -0.562 51.485 52.037 0.017 0.000 0.929 37 A CB 0.262 19.247 19.000 -0.025 0.000 1.363 37 A HN 0.738 nan 8.150 nan 0.000 0.498 38 H N -0.727 118.328 119.070 -0.024 0.000 3.167 38 H HA 0.046 4.601 4.556 -0.003 0.000 0.306 38 H C 0.795 176.181 175.328 0.097 0.000 0.965 38 H CA 2.707 58.734 56.048 -0.035 0.000 1.408 38 H CB -0.552 29.135 29.762 -0.124 0.000 1.406 38 H HN 0.855 nan 8.280 nan 0.000 0.576 39 H N 1.657 120.478 119.070 -0.415 0.000 4.059 39 H HA -0.225 4.329 4.556 -0.003 0.000 0.139 39 H C 1.341 176.627 175.328 -0.071 0.000 0.756 39 H CA 0.573 56.431 56.048 -0.317 0.000 1.257 39 H CB -1.074 28.506 29.762 -0.303 0.000 0.775 39 H HN 0.927 nan 8.280 nan 0.000 0.511 40 G N -1.177 107.699 108.800 0.127 0.000 2.545 40 G HA2 -0.171 3.787 3.960 -0.003 0.000 0.195 40 G HA3 -0.171 3.787 3.960 -0.003 0.000 0.195 40 G C -2.368 172.630 174.900 0.162 0.000 1.009 40 G CA -0.197 45.028 45.100 0.207 0.000 0.703 40 G HN 0.306 nan 8.290 nan 0.000 0.479 41 P HA 0.358 nan 4.420 nan 0.000 0.266 41 P C -0.422 176.869 177.300 -0.014 0.000 1.193 41 P CA 0.123 63.246 63.100 0.038 0.000 0.770 41 P CB 0.999 32.737 31.700 0.063 0.000 0.836 42 L N 4.244 125.423 121.223 -0.073 0.000 2.262 42 L HA 0.260 4.598 4.340 -0.003 0.000 0.288 42 L C -0.682 176.073 176.870 -0.191 0.000 1.035 42 L CA -0.486 54.281 54.840 -0.122 0.000 0.820 42 L CB 0.965 42.935 42.059 -0.149 0.000 1.204 42 L HN 0.034 nan 8.230 nan 0.000 0.424 43 V N 6.353 126.152 119.914 -0.192 0.000 2.406 43 V HA 0.539 4.657 4.120 -0.003 0.000 0.272 43 V C 0.119 176.019 176.094 -0.323 0.000 1.043 43 V CA -0.268 61.892 62.300 -0.233 0.000 0.915 43 V CB 1.290 33.005 31.823 -0.180 0.000 0.988 43 V HN 0.652 nan 8.190 nan 0.000 0.466 44 V N 1.349 121.002 119.914 -0.435 0.000 3.126 44 V HA 0.772 4.891 4.120 -0.003 0.000 0.314 44 V C -1.036 174.873 176.094 -0.308 0.000 1.138 44 V CA -0.783 61.197 62.300 -0.533 0.000 1.034 44 V CB 2.459 33.556 31.823 -1.210 0.000 1.075 44 V HN 0.697 nan 8.190 nan 0.000 0.442 45 D N 0.887 121.171 120.400 -0.193 0.000 2.649 45 D HA 0.535 5.174 4.640 -0.003 0.000 0.249 45 D C 0.158 176.492 176.300 0.056 0.000 1.112 45 D CA 0.308 54.276 54.000 -0.052 0.000 0.850 45 D CB 2.411 43.196 40.800 -0.024 0.000 1.399 45 D HN 1.034 nan 8.370 nan 0.000 0.503 46 T N -0.776 113.843 114.554 0.108 0.000 3.252 46 T HA 0.155 4.504 4.350 -0.003 0.000 0.286 46 T C 0.629 175.423 174.700 0.158 0.000 1.013 46 T CA -0.385 61.835 62.100 0.199 0.000 0.914 46 T CB -0.312 68.745 68.868 0.315 0.000 1.131 46 T HN 0.335 nan 8.240 nan 0.000 0.529 47 T N 1.252 115.854 114.554 0.080 0.000 2.903 47 T HA 0.301 4.649 4.350 -0.003 0.000 0.314 47 T C -1.279 173.421 174.700 0.000 0.000 1.078 47 T CA -0.886 61.224 62.100 0.015 0.000 1.114 47 T CB 0.648 69.512 68.868 -0.006 0.000 0.987 47 T HN 0.066 nan 8.240 nan 0.000 0.548 48 P HA 0.153 nan 4.420 nan 0.000 0.257 48 P C -0.800 176.252 177.300 -0.412 0.000 1.281 48 P CA -0.043 62.884 63.100 -0.288 0.000 0.826 48 P CB -0.068 31.393 31.700 -0.397 0.000 1.237 49 Y N 1.243 121.574 120.300 0.051 0.000 2.595 49 Y HA 0.261 4.810 4.550 -0.003 0.000 0.336 49 Y C 1.461 177.385 175.900 0.040 0.000 0.996 49 Y CA -0.352 57.770 58.100 0.037 0.000 1.260 49 Y CB 0.584 39.085 38.460 0.070 0.000 1.108 49 Y HN -0.112 nan 8.280 nan 0.000 0.509 50 T N -1.036 113.549 114.554 0.050 0.000 3.215 50 T HA 0.641 4.989 4.350 -0.003 0.000 0.271 50 T C 0.495 174.982 174.700 -0.355 0.000 1.012 50 T CA -0.018 62.072 62.100 -0.015 0.000 0.899 50 T CB -0.206 68.664 68.868 0.002 0.000 1.089 50 T HN 0.699 nan 8.240 nan 0.000 0.552 51 G N 0.385 108.778 108.800 -0.679 0.000 2.506 51 G HA2 0.512 4.470 3.960 -0.003 0.000 0.292 51 G HA3 0.512 4.470 3.960 -0.003 0.000 0.292 51 G C -1.295 173.176 174.900 -0.714 0.000 1.425 51 G CA -1.285 43.164 45.100 -1.085 0.000 0.788 51 G HN 0.275 nan 8.290 nan 0.000 0.490 52 R N -0.399 119.892 120.500 -0.348 0.000 2.784 52 R HA 0.422 4.761 4.340 -0.003 0.000 0.266 52 R C -0.248 176.048 176.300 -0.007 0.000 1.044 52 R CA 0.241 56.365 56.100 0.039 0.000 1.151 52 R CB 0.556 30.965 30.300 0.183 0.000 1.037 52 R HN 0.292 nan 8.270 nan 0.000 0.478 53 S N 3.127 118.822 115.700 -0.009 0.000 2.269 53 S HA 0.155 4.624 4.470 -0.003 0.000 0.194 53 S C -1.641 172.911 174.600 -0.080 0.000 1.547 53 S CA -1.101 57.073 58.200 -0.043 0.000 1.186 53 S CB 1.379 64.519 63.200 -0.101 0.000 1.069 53 S HN 0.568 nan 8.310 nan 0.000 0.473 54 P HA -0.123 nan 4.420 nan 0.000 0.219 54 P C 0.740 177.919 177.300 -0.202 0.000 1.146 54 P CA 0.975 63.992 63.100 -0.137 0.000 0.808 54 P CB 0.215 31.844 31.700 -0.120 0.000 0.779 55 K N -0.366 119.944 120.400 -0.149 0.000 2.504 55 K HA -0.025 4.294 4.320 -0.003 0.000 0.195 55 K C 0.631 177.098 176.600 -0.221 0.000 1.036 55 K CA 0.706 56.898 56.287 -0.158 0.000 0.984 55 K CB -0.070 32.396 32.500 -0.058 0.000 0.788 55 K HN 0.225 nan 8.250 nan 0.000 0.488 56 D N 0.746 121.008 120.400 -0.229 0.000 2.501 56 D HA 0.014 4.653 4.640 -0.003 0.000 0.224 56 D C -0.310 175.745 176.300 -0.410 0.000 1.202 56 D CA 0.081 53.971 54.000 -0.182 0.000 0.829 56 D CB 0.578 41.364 40.800 -0.024 0.000 1.023 56 D HN 0.045 nan 8.370 nan 0.000 0.499 57 K N 0.767 120.798 120.400 -0.615 0.000 2.156 57 K HA 0.432 4.750 4.320 -0.003 0.000 0.271 57 K C -1.185 174.904 176.600 -0.852 0.000 0.995 57 K CA -0.223 55.733 56.287 -0.551 0.000 0.890 57 K CB 0.894 33.192 32.500 -0.337 0.000 1.073 57 K HN -0.295 nan 8.250 nan 0.000 0.454 58 F N 1.827 121.565 119.950 -0.355 0.000 2.613 58 F HA 0.420 4.945 4.527 -0.003 0.000 0.310 58 F C -0.778 174.945 175.800 -0.128 0.000 1.085 58 F CA -0.933 56.945 58.000 -0.203 0.000 0.945 58 F CB 2.095 40.917 39.000 -0.296 0.000 1.298 58 F HN 0.057 nan 8.300 nan 0.000 0.455 59 V N 2.771 122.850 119.914 0.275 0.000 2.487 59 V HA 0.370 4.489 4.120 -0.003 0.000 0.298 59 V C -0.595 175.724 176.094 0.375 0.000 1.028 59 V CA -1.011 61.418 62.300 0.214 0.000 0.860 59 V CB 1.846 33.777 31.823 0.181 0.000 0.991 59 V HN 0.531 nan 8.190 nan 0.000 0.427 60 V N 5.155 125.162 119.914 0.156 0.000 2.540 60 V HA 0.108 4.226 4.120 -0.003 0.000 0.297 60 V C 0.972 177.247 176.094 0.301 0.000 1.024 60 V CA -0.076 62.312 62.300 0.148 0.000 1.105 60 V CB 0.385 32.097 31.823 -0.185 0.000 0.938 60 V HN 0.851 nan 8.190 nan 0.000 0.482 61 R N 4.149 124.792 120.500 0.238 0.000 2.605 61 R HA 0.140 4.479 4.340 -0.003 0.000 0.271 61 R C -0.131 176.245 176.300 0.126 0.000 1.418 61 R CA 0.100 56.284 56.100 0.140 0.000 1.102 61 R CB -0.143 30.041 30.300 -0.193 0.000 1.131 61 R HN 0.772 nan 8.270 nan 0.000 0.554 62 E N 4.345 124.669 120.200 0.207 0.000 2.166 62 E HA 0.169 4.518 4.350 -0.003 0.000 0.275 62 E C -1.896 174.793 176.600 0.149 0.000 0.941 62 E CA -2.260 54.221 56.400 0.136 0.000 0.784 62 E CB 1.878 31.646 29.700 0.114 0.000 1.115 62 E HN 0.303 nan 8.360 nan 0.000 0.399 63 P HA -0.310 nan 4.420 nan 0.000 0.218 63 P C 0.910 178.276 177.300 0.111 0.000 1.154 63 P CA 1.399 64.556 63.100 0.094 0.000 0.872 63 P CB 0.210 31.946 31.700 0.061 0.000 0.790 64 E N -0.478 119.785 120.200 0.105 0.000 2.171 64 E HA -0.139 4.209 4.350 -0.003 0.000 0.197 64 E C 1.617 178.296 176.600 0.133 0.000 0.997 64 E CA 1.803 58.267 56.400 0.106 0.000 0.810 64 E CB -1.144 28.616 29.700 0.100 0.000 0.738 64 E HN 0.339 nan 8.360 nan 0.000 0.467 65 V N -2.159 117.854 119.914 0.165 0.000 3.276 65 V HA 0.219 4.337 4.120 -0.003 0.000 0.319 65 V C 1.631 177.865 176.094 0.232 0.000 1.427 65 V CA -0.255 62.149 62.300 0.173 0.000 1.102 65 V CB 0.639 32.538 31.823 0.128 0.000 1.020 65 V HN -0.168 nan 8.190 nan 0.000 0.456 66 E N 2.905 123.270 120.200 0.275 0.000 2.049 66 E HA -0.181 4.168 4.350 -0.003 0.000 0.198 66 E C 2.035 178.877 176.600 0.404 0.000 1.007 66 E CA 2.103 58.747 56.400 0.407 0.000 0.809 66 E CB -0.347 29.504 29.700 0.252 0.000 0.749 66 E HN 0.731 nan 8.360 nan 0.000 0.450 67 G N 0.192 109.135 108.800 0.238 0.000 3.026 67 G HA2 -0.131 3.828 3.960 -0.003 0.000 0.208 67 G HA3 -0.131 3.828 3.960 -0.003 0.000 0.208 67 G C 1.220 176.216 174.900 0.159 0.000 1.169 67 G CA 0.004 45.220 45.100 0.194 0.000 0.788 67 G HN 0.201 nan 8.290 nan 0.000 0.533 68 E N -0.722 119.564 120.200 0.142 0.000 2.307 68 E HA 0.130 4.478 4.350 -0.003 0.000 0.195 68 E C 0.327 176.947 176.600 0.033 0.000 0.975 68 E CA -0.190 56.265 56.400 0.092 0.000 0.878 68 E CB 0.236 29.999 29.700 0.105 0.000 0.845 68 E HN 0.128 nan 8.360 nan 0.000 0.488 69 I N 1.277 121.763 120.570 -0.140 0.000 2.396 69 I HA 0.024 4.192 4.170 -0.003 0.000 0.292 69 I C -0.245 175.489 176.117 -0.638 0.000 0.999 69 I CA -0.565 60.410 61.300 -0.543 0.000 1.310 69 I CB 0.569 37.876 38.000 -1.155 0.000 1.404 69 I HN 0.232 nan 8.210 nan 0.000 0.496 70 W N 8.452 129.276 121.300 -0.793 0.000 2.351 70 W HA 0.221 4.879 4.660 -0.003 0.000 0.421 70 W C -0.698 175.528 176.519 -0.488 0.000 1.000 70 W CA -1.600 55.218 57.345 -0.877 0.000 1.610 70 W CB -0.268 28.749 29.460 -0.739 0.000 1.700 70 W HN 0.386 nan 8.180 nan 0.000 0.351 71 W N 5.571 126.840 121.300 -0.052 0.000 2.190 71 W HA 0.453 5.111 4.660 -0.002 0.000 0.330 71 W C 0.966 177.318 176.519 -0.279 0.000 1.299 71 W CA 1.074 58.344 57.345 -0.126 0.000 1.215 71 W CB 0.770 30.230 29.460 0.001 0.000 1.147 71 W HN 0.671 nan 8.180 nan 0.000 0.563 72 G N 0.739 109.513 108.800 -0.043 0.000 2.398 72 G HA2 -0.119 3.839 3.960 -0.003 0.000 0.251 72 G HA3 -0.119 3.839 3.960 -0.003 0.000 0.251 72 G C 0.359 175.121 174.900 -0.231 0.000 1.277 72 G CA -0.125 44.861 45.100 -0.190 0.000 0.927 72 G HN 0.501 nan 8.290 nan 0.000 0.477 73 E N -0.249 119.784 120.200 -0.278 0.000 2.204 73 E HA -0.028 4.321 4.350 -0.003 0.000 0.194 73 E C 2.106 178.514 176.600 -0.320 0.000 0.989 73 E CA 1.602 57.857 56.400 -0.242 0.000 0.824 73 E CB -0.047 29.540 29.700 -0.187 0.000 0.756 73 E HN 0.214 nan 8.360 nan 0.000 0.477 74 V N 1.518 121.140 119.914 -0.487 0.000 2.346 74 V HA -0.088 4.030 4.120 -0.003 0.000 0.244 74 V C 0.642 176.510 176.094 -0.376 0.000 1.037 74 V CA 1.061 63.076 62.300 -0.475 0.000 1.029 74 V CB -0.310 31.106 31.823 -0.678 0.000 0.663 74 V HN 0.281 nan 8.190 nan 0.000 0.454 75 N N 1.660 120.132 118.700 -0.380 0.000 2.621 75 N HA 0.305 5.044 4.740 -0.003 0.000 0.237 75 N C -0.725 174.805 175.510 0.034 0.000 0.997 75 N CA -0.063 52.870 53.050 -0.195 0.000 0.918 75 N CB 1.231 39.550 38.487 -0.281 0.000 1.122 75 N HN 0.535 nan 8.380 nan 0.000 0.510 76 Q N 2.202 122.011 119.800 0.014 0.000 2.267 76 Q HA 0.332 4.670 4.340 -0.003 0.000 0.255 76 Q C -2.146 174.166 176.000 0.520 0.000 0.923 76 Q CA -1.595 54.314 55.803 0.176 0.000 0.925 76 Q CB 1.371 30.054 28.738 -0.091 0.000 1.195 76 Q HN 0.333 nan 8.270 nan 0.000 0.417 77 P HA 0.154 nan 4.420 nan 0.000 0.275 77 P C -1.180 176.373 177.300 0.421 0.000 1.228 77 P CA -0.057 63.207 63.100 0.274 0.000 0.786 77 P CB 0.615 32.127 31.700 -0.313 0.000 0.927 78 F N 1.040 121.068 119.950 0.131 0.000 2.574 78 F HA 0.507 5.033 4.527 -0.002 0.000 0.313 78 F C -0.401 175.415 175.800 0.027 0.000 1.130 78 F CA -0.749 57.280 58.000 0.048 0.000 0.936 78 F CB 1.789 40.836 39.000 0.078 0.000 1.219 78 F HN 0.415 nan 8.300 nan 0.000 0.445 79 A N 7.421 130.064 122.820 -0.295 0.000 2.540 79 A HA 0.290 4.609 4.320 -0.003 0.000 0.239 79 A C -1.713 175.879 177.584 0.013 0.000 1.061 79 A CA -0.721 51.219 52.037 -0.162 0.000 0.758 79 A CB -0.307 18.545 19.000 -0.247 0.000 0.991 79 A HN 0.613 nan 8.150 nan 0.000 0.502 80 P HA -0.154 nan 4.420 nan 0.000 0.220 80 P C 0.734 178.130 177.300 0.160 0.000 1.148 80 P CA 1.365 64.544 63.100 0.132 0.000 0.803 80 P CB 0.267 32.010 31.700 0.071 0.000 0.782 81 E N -0.304 119.935 120.200 0.065 0.000 2.250 81 E HA 0.059 4.408 4.350 -0.003 0.000 0.192 81 E C 2.146 178.764 176.600 0.030 0.000 0.986 81 E CA 0.554 56.980 56.400 0.044 0.000 0.849 81 E CB -0.198 29.503 29.700 0.001 0.000 0.797 81 E HN 0.191 nan 8.360 nan 0.000 0.482 82 A N 0.822 123.632 122.820 -0.017 0.000 1.968 82 A HA -0.117 4.202 4.320 -0.003 0.000 0.217 82 A C 1.842 179.514 177.584 0.146 0.000 1.169 82 A CA 0.607 52.602 52.037 -0.070 0.000 0.638 82 A CB -0.452 18.297 19.000 -0.418 0.000 0.812 82 A HN 0.299 nan 8.150 nan 0.000 0.446 83 F N 1.035 121.081 119.950 0.159 0.000 2.163 83 F HA -0.053 4.473 4.527 -0.003 0.000 0.297 83 F C 2.117 177.977 175.800 0.100 0.000 1.094 83 F CA 1.926 60.060 58.000 0.224 0.000 1.290 83 F CB -0.107 39.056 39.000 0.271 0.000 1.017 83 F HN 0.306 nan 8.300 nan 0.000 0.483 84 E N 1.020 121.284 120.200 0.106 0.000 2.110 84 E HA -0.142 4.206 4.350 -0.003 0.000 0.193 84 E C 2.073 178.658 176.600 -0.025 0.000 0.988 84 E CA 1.489 57.898 56.400 0.015 0.000 0.804 84 E CB -0.630 29.119 29.700 0.081 0.000 0.745 84 E HN 0.403 nan 8.360 nan 0.000 0.458 85 A N 0.789 123.592 122.820 -0.028 0.000 1.845 85 A HA -0.126 4.193 4.320 -0.003 0.000 0.215 85 A C 2.215 179.741 177.584 -0.097 0.000 1.195 85 A CA 1.662 53.675 52.037 -0.040 0.000 0.616 85 A CB -1.068 17.913 19.000 -0.031 0.000 0.832 85 A HN 0.401 nan 8.150 nan 0.000 0.443 86 L N -1.454 119.667 121.223 -0.170 0.000 2.012 86 L HA -0.182 4.156 4.340 -0.003 0.000 0.210 86 L C 2.287 178.930 176.870 -0.379 0.000 1.073 86 L CA 2.570 57.234 54.840 -0.294 0.000 0.748 86 L CB -1.310 40.469 42.059 -0.466 0.000 0.891 86 L HN 0.526 nan 8.230 nan 0.000 0.431 87 Y N 0.141 120.094 120.300 -0.578 0.000 2.102 87 Y HA -0.343 4.205 4.550 -0.003 0.000 0.280 87 Y C 2.664 178.380 175.900 -0.306 0.000 1.178 87 Y CA 2.360 60.137 58.100 -0.538 0.000 1.146 87 Y CB -0.342 37.738 38.460 -0.632 0.000 0.968 87 Y HN 0.339 nan 8.280 nan 0.000 0.504 88 Q N 0.428 120.132 119.800 -0.160 0.000 2.045 88 Q HA -0.228 4.111 4.340 -0.003 0.000 0.206 88 Q C 2.392 178.308 176.000 -0.139 0.000 0.991 88 Q CA 2.018 57.742 55.803 -0.131 0.000 0.851 88 Q CB -0.503 28.224 28.738 -0.019 0.000 0.911 88 Q HN 0.553 nan 8.270 nan 0.000 0.418 89 R N -0.273 120.170 120.500 -0.095 0.000 2.127 89 R HA -0.097 4.242 4.340 -0.003 0.000 0.238 89 R C 2.330 178.670 176.300 0.066 0.000 1.134 89 R CA 1.216 57.346 56.100 0.050 0.000 0.975 89 R CB -0.263 30.140 30.300 0.172 0.000 0.865 89 R HN 0.114 nan 8.270 nan 0.000 0.447 90 V N 0.783 120.498 119.914 -0.331 0.000 2.323 90 V HA -0.182 3.936 4.120 -0.003 0.000 0.244 90 V C 2.450 178.420 176.094 -0.206 0.000 1.041 90 V CA 1.736 63.755 62.300 -0.469 0.000 1.025 90 V CB -0.342 31.014 31.823 -0.779 0.000 0.656 90 V HN 0.240 nan 8.190 nan 0.000 0.451 91 V N -1.683 117.996 119.914 -0.391 0.000 2.626 91 V HA -0.263 3.856 4.120 -0.003 0.000 0.252 91 V C 2.041 178.072 176.094 -0.105 0.000 1.067 91 V CA 1.801 63.916 62.300 -0.310 0.000 1.081 91 V CB -0.960 30.558 31.823 -0.509 0.000 0.686 91 V HN 0.553 nan 8.190 nan 0.000 0.468 92 Q N -0.871 118.912 119.800 -0.030 0.000 2.187 92 Q HA -0.044 4.295 4.340 -0.003 0.000 0.199 92 Q C 2.082 178.140 176.000 0.097 0.000 0.957 92 Q CA 1.651 57.482 55.803 0.046 0.000 0.857 92 Q CB -0.255 28.521 28.738 0.063 0.000 0.929 92 Q HN 0.848 nan 8.270 nan 0.000 0.453 93 Y N 0.743 121.073 120.300 0.050 0.000 2.263 93 Y HA -0.124 4.425 4.550 -0.003 0.000 0.292 93 Y C 1.587 177.529 175.900 0.069 0.000 1.130 93 Y CA 1.159 59.320 58.100 0.102 0.000 1.179 93 Y CB 0.023 38.648 38.460 0.274 0.000 0.998 93 Y HN -0.011 nan 8.280 nan 0.000 0.532 94 L N -0.870 120.451 121.223 0.165 0.000 2.156 94 L HA -0.159 4.179 4.340 -0.003 0.000 0.208 94 L C 2.453 179.305 176.870 -0.030 0.000 1.095 94 L CA 1.166 56.045 54.840 0.065 0.000 0.770 94 L CB -0.594 41.521 42.059 0.093 0.000 0.914 94 L HN 0.115 nan 8.230 nan 0.000 0.439 95 S N 0.094 115.778 115.700 -0.025 0.000 2.419 95 S HA -0.171 4.297 4.470 -0.003 0.000 0.233 95 S C 1.195 175.773 174.600 -0.036 0.000 1.016 95 S CA 1.181 59.372 58.200 -0.015 0.000 0.974 95 S CB -0.332 62.882 63.200 0.024 0.000 0.786 95 S HN 0.582 nan 8.310 nan 0.000 0.492 96 E N 2.050 122.197 120.200 -0.088 0.000 2.320 96 E HA 0.184 4.532 4.350 -0.003 0.000 0.234 96 E C 0.176 176.696 176.600 -0.134 0.000 1.290 96 E CA -0.476 55.861 56.400 -0.106 0.000 1.545 96 E CB -0.241 29.387 29.700 -0.120 0.000 1.379 96 E HN 0.445 nan 8.360 nan 0.000 0.437 97 R N -0.753 119.691 120.500 -0.093 0.000 2.774 97 R HA 0.241 4.579 4.340 -0.003 0.000 0.279 97 R C -1.715 174.584 176.300 -0.001 0.000 1.022 97 R CA -1.001 55.066 56.100 -0.056 0.000 0.855 97 R CB 0.075 30.319 30.300 -0.093 0.000 1.279 97 R HN -0.175 nan 8.270 nan 0.000 0.485 98 D N 1.265 121.698 120.400 0.054 0.000 2.455 98 D HA 0.272 4.911 4.640 -0.003 0.000 0.241 98 D C -0.217 176.125 176.300 0.070 0.000 1.138 98 D CA 0.453 54.497 54.000 0.073 0.000 0.877 98 D CB 0.651 41.589 40.800 0.230 0.000 1.187 98 D HN 0.281 nan 8.370 nan 0.000 0.451 99 L N 2.030 123.221 121.223 -0.052 0.000 2.370 99 L HA 0.427 4.765 4.340 -0.003 0.000 0.266 99 L C -0.943 175.840 176.870 -0.144 0.000 1.002 99 L CA -1.044 53.796 54.840 0.001 0.000 0.818 99 L CB 1.318 43.385 42.059 0.013 0.000 1.325 99 L HN 0.282 nan 8.230 nan 0.000 0.418 100 Y N 1.147 121.540 120.300 0.156 0.000 2.364 100 Y HA 0.633 5.181 4.550 -0.003 0.000 0.340 100 Y C -0.183 175.680 175.900 -0.062 0.000 0.975 100 Y CA -0.863 57.306 58.100 0.116 0.000 1.089 100 Y CB 2.232 40.755 38.460 0.105 0.000 1.192 100 Y HN 0.101 nan 8.280 nan 0.000 0.454 101 V N 3.639 123.492 119.914 -0.100 0.000 2.656 101 V HA 0.491 4.609 4.120 -0.003 0.000 0.307 101 V C -0.857 174.989 176.094 -0.414 0.000 1.051 101 V CA -0.962 61.090 62.300 -0.412 0.000 0.893 101 V CB 1.944 33.138 31.823 -1.048 0.000 0.999 101 V HN 0.604 nan 8.190 nan 0.000 0.426 102 Q N 2.182 121.783 119.800 -0.332 0.000 2.292 102 Q HA 0.424 4.763 4.340 -0.003 0.000 0.270 102 Q C -1.662 174.146 176.000 -0.319 0.000 1.024 102 Q CA -0.620 55.025 55.803 -0.263 0.000 0.768 102 Q CB 2.650 31.319 28.738 -0.115 0.000 1.250 102 Q HN 0.685 nan 8.270 nan 0.000 0.447 103 D N 3.561 123.698 120.400 -0.439 0.000 2.347 103 D HA 0.466 5.105 4.640 -0.003 0.000 0.235 103 D C -0.050 175.913 176.300 -0.562 0.000 1.149 103 D CA 0.075 53.630 54.000 -0.742 0.000 0.850 103 D CB 0.853 40.810 40.800 -1.405 0.000 1.061 103 D HN 0.305 nan 8.370 nan 0.000 0.487 104 L N 1.510 122.543 121.223 -0.315 0.000 2.230 104 L HA 0.563 4.902 4.340 -0.003 0.000 0.255 104 L C -0.928 175.834 176.870 -0.180 0.000 1.039 104 L CA -1.107 53.654 54.840 -0.131 0.000 0.846 104 L CB 1.230 43.304 42.059 0.025 0.000 1.419 104 L HN 0.177 nan 8.230 nan 0.000 0.435 105 Y N -0.289 120.152 120.300 0.234 0.000 2.536 105 Y HA 0.742 5.290 4.550 -0.003 0.000 0.347 105 Y C -0.185 175.826 175.900 0.185 0.000 1.000 105 Y CA -0.918 57.307 58.100 0.209 0.000 1.051 105 Y CB 2.254 40.901 38.460 0.313 0.000 1.259 105 Y HN 0.486 nan 8.280 nan 0.000 0.468 106 A N 1.494 124.486 122.820 0.285 0.000 2.319 106 A HA 0.779 5.098 4.320 -0.003 0.000 0.310 106 A C -0.158 177.589 177.584 0.272 0.000 1.152 106 A CA -0.197 51.972 52.037 0.220 0.000 0.783 106 A CB 0.486 19.478 19.000 -0.013 0.000 1.184 106 A HN 1.523 nan 8.150 nan 0.000 0.474 107 G N 0.580 109.624 108.800 0.407 0.000 3.448 107 G HA2 0.381 4.339 3.960 -0.003 0.000 0.685 107 G HA3 0.381 4.339 3.960 -0.003 0.000 0.685 107 G C 0.461 175.618 174.900 0.428 0.000 1.151 107 G CA -0.053 45.352 45.100 0.507 0.000 1.023 107 G HN 1.934 nan 8.290 nan 0.000 0.499 108 A N 1.845 124.929 122.820 0.440 0.000 1.968 108 A HA 0.241 4.560 4.320 -0.003 0.000 0.217 108 A C 1.319 179.001 177.584 0.164 0.000 1.169 108 A CA 1.771 53.965 52.037 0.261 0.000 0.638 108 A CB -0.017 19.118 19.000 0.226 0.000 0.812 108 A HN 0.927 nan 8.150 nan 0.000 0.446 109 D N -0.062 120.258 120.400 -0.132 0.000 2.346 109 D HA 0.060 4.698 4.640 -0.003 0.000 0.260 109 D C 1.205 177.433 176.300 -0.120 0.000 1.252 109 D CA -0.173 53.702 54.000 -0.209 0.000 0.895 109 D CB 0.360 40.833 40.800 -0.545 0.000 1.097 109 D HN 0.313 nan 8.370 nan 0.000 0.489 110 R N 3.930 124.446 120.500 0.026 0.000 2.154 110 R HA -0.206 4.132 4.340 -0.003 0.000 0.248 110 R C 1.992 178.147 176.300 -0.241 0.000 1.155 110 R CA 1.281 57.322 56.100 -0.099 0.000 0.979 110 R CB 0.031 30.318 30.300 -0.021 0.000 0.869 110 R HN 0.431 nan 8.270 nan 0.000 0.452 111 R N -0.748 119.595 120.500 -0.262 0.000 2.152 111 R HA -0.156 4.183 4.340 -0.003 0.000 0.232 111 R C 0.399 176.331 176.300 -0.613 0.000 1.117 111 R CA 1.468 57.289 56.100 -0.466 0.000 0.981 111 R CB 0.113 30.053 30.300 -0.601 0.000 0.870 111 R HN 0.344 nan 8.270 nan 0.000 0.451 112 Y N 0.214 120.398 120.300 -0.192 0.000 2.707 112 Y HA 0.229 4.778 4.550 -0.003 0.000 0.249 112 Y C -0.150 175.690 175.900 -0.100 0.000 1.166 112 Y CA -0.826 57.207 58.100 -0.111 0.000 1.184 112 Y CB 0.269 38.704 38.460 -0.043 0.000 1.240 112 Y HN -0.026 nan 8.280 nan 0.000 0.547 113 R N 1.006 121.473 120.500 -0.056 0.000 2.734 113 R HA 0.317 4.656 4.340 -0.003 0.000 0.266 113 R C -0.795 175.535 176.300 0.050 0.000 1.044 113 R CA -0.456 55.625 56.100 -0.032 0.000 1.128 113 R CB 0.705 30.794 30.300 -0.352 0.000 1.010 113 R HN 0.198 nan 8.270 nan 0.000 0.461 114 L N 1.919 123.230 121.223 0.147 0.000 2.319 114 L HA 0.449 4.787 4.340 -0.003 0.000 0.281 114 L C -0.709 176.265 176.870 0.172 0.000 1.005 114 L CA -0.407 54.509 54.840 0.127 0.000 0.828 114 L CB 1.561 43.650 42.059 0.051 0.000 1.227 114 L HN 0.888 nan 8.230 nan 0.000 0.415 115 A N 5.426 128.300 122.820 0.089 0.000 2.476 115 A HA 0.524 4.842 4.320 -0.003 0.000 0.275 115 A C -0.416 177.137 177.584 -0.051 0.000 1.133 115 A CA -0.113 51.807 52.037 -0.195 0.000 0.797 115 A CB -0.395 18.240 19.000 -0.609 0.000 1.081 115 A HN 0.572 nan 8.150 nan 0.000 0.510 116 V N 4.284 124.190 119.914 -0.013 0.000 2.495 116 V HA 0.493 4.612 4.120 -0.003 0.000 0.298 116 V C 0.380 176.487 176.094 0.023 0.000 1.031 116 V CA -0.672 61.618 62.300 -0.017 0.000 0.871 116 V CB 1.572 33.260 31.823 -0.225 0.000 0.988 116 V HN 0.955 nan 8.190 nan 0.000 0.432 117 R N 3.724 124.255 120.500 0.053 0.000 2.338 117 R HA 0.722 5.061 4.340 -0.003 0.000 0.317 117 R C -1.617 174.655 176.300 -0.047 0.000 0.968 117 R CA -0.378 55.719 56.100 -0.005 0.000 0.849 117 R CB 1.731 32.071 30.300 0.067 0.000 1.128 117 R HN 0.529 nan 8.270 nan 0.000 0.448 118 V N 5.323 125.180 119.914 -0.096 0.000 2.435 118 V HA 0.370 4.488 4.120 -0.003 0.000 0.290 118 V C -0.499 175.549 176.094 -0.077 0.000 1.030 118 V CA -0.691 61.572 62.300 -0.061 0.000 0.881 118 V CB 1.785 33.585 31.823 -0.038 0.000 0.983 118 V HN 0.543 nan 8.190 nan 0.000 0.445 119 V N 4.241 124.143 119.914 -0.020 0.000 2.349 119 V HA 0.552 4.671 4.120 -0.003 0.000 0.284 119 V C -0.001 176.138 176.094 0.076 0.000 1.014 119 V CA -0.135 62.162 62.300 -0.005 0.000 0.826 119 V CB 1.668 33.487 31.823 -0.006 0.000 1.009 119 V HN 0.961 nan 8.190 nan 0.000 0.431 120 T N 2.149 116.777 114.554 0.124 0.000 2.906 120 T HA 0.418 4.767 4.350 -0.003 0.000 0.295 120 T C 0.770 175.624 174.700 0.256 0.000 1.075 120 T CA -0.262 61.948 62.100 0.182 0.000 1.005 120 T CB 2.110 71.106 68.868 0.214 0.000 1.136 120 T HN 0.854 nan 8.240 nan 0.000 0.498 121 E N 1.063 121.400 120.200 0.229 0.000 2.478 121 E HA 0.224 4.572 4.350 -0.003 0.000 0.194 121 E C 0.469 177.287 176.600 0.364 0.000 1.045 121 E CA -0.197 56.396 56.400 0.323 0.000 0.868 121 E CB 0.341 30.225 29.700 0.307 0.000 0.885 121 E HN 0.241 nan 8.360 nan 0.000 0.505 122 S N 1.286 117.111 115.700 0.209 0.000 2.433 122 S HA 0.261 4.729 4.470 -0.003 0.000 0.310 122 S C -1.968 172.509 174.600 -0.205 0.000 1.097 122 S CA -2.160 56.096 58.200 0.095 0.000 1.103 122 S CB 1.195 64.489 63.200 0.155 0.000 0.992 122 S HN -0.163 nan 8.310 nan 0.000 0.469 123 P HA -0.089 nan 4.420 nan 0.000 0.213 123 P C 1.616 178.710 177.300 -0.342 0.000 1.170 123 P CA 1.223 63.815 63.100 -0.848 0.000 0.898 123 P CB -0.252 31.062 31.700 -0.643 0.000 0.787 124 W N -0.456 120.714 121.300 -0.215 0.000 2.699 124 W HA -0.046 4.612 4.660 -0.002 0.000 0.249 124 W C 1.091 177.519 176.519 -0.152 0.000 1.280 124 W CA 0.531 57.768 57.345 -0.180 0.000 1.345 124 W CB -1.679 27.671 29.460 -0.184 0.000 1.128 124 W HN 0.143 nan 8.180 nan 0.000 0.642 125 H N 1.267 119.672 119.070 -1.108 0.000 2.428 125 H HA 0.021 4.575 4.556 -0.002 0.000 0.296 125 H C 2.660 177.769 175.328 -0.366 0.000 1.062 125 H CA 2.297 57.745 56.048 -1.000 0.000 1.350 125 H CB -0.066 29.261 29.762 -0.726 0.000 1.403 125 H HN 0.185 nan 8.280 nan 0.000 0.533 126 A N 0.522 123.256 122.820 -0.143 0.000 1.930 126 A HA -0.113 4.206 4.320 -0.003 0.000 0.217 126 A C 2.162 179.720 177.584 -0.044 0.000 1.175 126 A CA 1.129 53.131 52.037 -0.058 0.000 0.627 126 A CB -0.533 18.439 19.000 -0.046 0.000 0.815 126 A HN 0.370 nan 8.150 nan 0.000 0.443 127 L N -1.391 119.805 121.223 -0.045 0.000 2.056 127 L HA -0.059 4.279 4.340 -0.003 0.000 0.207 127 L C 2.160 179.020 176.870 -0.016 0.000 1.078 127 L CA 2.169 56.999 54.840 -0.016 0.000 0.749 127 L CB -0.734 41.343 42.059 0.030 0.000 0.901 127 L HN 0.435 nan 8.230 nan 0.000 0.433 128 F N 0.517 120.402 119.950 -0.109 0.000 2.095 128 F HA -0.229 4.297 4.527 -0.003 0.000 0.298 128 F C 2.280 177.942 175.800 -0.230 0.000 1.104 128 F CA 1.839 59.750 58.000 -0.148 0.000 1.232 128 F CB -0.638 38.228 39.000 -0.224 0.000 0.987 128 F HN 0.147 nan 8.300 nan 0.000 0.475 129 A N 0.533 123.282 122.820 -0.118 0.000 1.902 129 A HA -0.218 4.100 4.320 -0.003 0.000 0.217 129 A C 2.385 179.875 177.584 -0.156 0.000 1.181 129 A CA 1.761 53.727 52.037 -0.119 0.000 0.623 129 A CB -0.915 18.164 19.000 0.132 0.000 0.818 129 A HN 0.498 nan 8.150 nan 0.000 0.443 130 R N -0.540 119.888 120.500 -0.120 0.000 2.081 130 R HA -0.157 4.181 4.340 -0.003 0.000 0.235 130 R C 1.841 178.030 176.300 -0.184 0.000 1.131 130 R CA 1.720 57.765 56.100 -0.092 0.000 0.960 130 R CB -0.238 30.022 30.300 -0.067 0.000 0.856 130 R HN 0.530 nan 8.270 nan 0.000 0.436 131 N N 0.169 118.684 118.700 -0.309 0.000 2.106 131 N HA -0.150 4.589 4.740 -0.003 0.000 0.188 131 N C 1.552 176.749 175.510 -0.521 0.000 1.029 131 N CA 1.331 54.152 53.050 -0.381 0.000 0.848 131 N CB -0.200 38.044 38.487 -0.405 0.000 1.007 131 N HN 0.111 nan 8.380 nan 0.000 0.423 132 M N -0.560 118.515 119.600 -0.875 0.000 2.132 132 M HA 0.031 4.509 4.480 -0.003 0.000 0.263 132 M C -0.086 175.678 176.300 -0.893 0.000 1.065 132 M CA 1.216 55.851 55.300 -1.109 0.000 1.122 132 M CB -0.065 31.449 32.600 -1.810 0.000 1.365 132 M HN -0.070 nan 8.290 nan 0.000 0.411 133 F N -1.190 118.627 119.950 -0.221 0.000 2.363 133 F HA 0.488 5.013 4.527 -0.002 0.000 0.332 133 F C 0.143 175.936 175.800 -0.013 0.000 1.039 133 F CA -1.227 56.727 58.000 -0.076 0.000 1.127 133 F CB -0.070 38.910 39.000 -0.035 0.000 1.701 133 F HN -0.329 nan 8.300 nan 0.000 0.532 134 I N 1.632 122.411 120.570 0.348 0.000 2.378 134 I HA 0.260 4.429 4.170 -0.003 0.000 0.291 134 I C -0.858 175.465 176.117 0.343 0.000 0.992 134 I CA -0.499 60.961 61.300 0.267 0.000 1.154 134 I CB 1.271 39.449 38.000 0.296 0.000 1.315 134 I HN 0.150 nan 8.210 nan 0.000 0.448 135 L N 7.894 129.243 121.223 0.209 0.000 2.426 135 L HA 0.153 4.491 4.340 -0.003 0.000 0.271 135 L C -1.383 175.728 176.870 0.402 0.000 1.169 135 L CA -1.263 53.713 54.840 0.227 0.000 0.836 135 L CB 0.411 42.540 42.059 0.117 0.000 1.112 135 L HN 0.358 nan 8.230 nan 0.000 0.465 136 P HA -0.218 nan 4.420 nan 0.000 0.216 136 P C 1.347 178.920 177.300 0.455 0.000 1.153 136 P CA 1.328 64.829 63.100 0.667 0.000 0.858 136 P CB -0.035 31.946 31.700 0.468 0.000 0.789 137 R N -0.056 120.601 120.500 0.262 0.000 2.211 137 R HA -0.119 4.220 4.340 -0.003 0.000 0.240 137 R C 1.958 178.329 176.300 0.117 0.000 1.144 137 R CA 1.262 57.463 56.100 0.169 0.000 0.992 137 R CB -0.690 29.679 30.300 0.114 0.000 0.869 137 R HN 0.150 nan 8.270 nan 0.000 0.462 138 R N -0.340 120.204 120.500 0.074 0.000 2.148 138 R HA -0.024 4.314 4.340 -0.003 0.000 0.223 138 R C 1.666 177.858 176.300 -0.180 0.000 1.088 138 R CA 1.125 57.161 56.100 -0.107 0.000 0.985 138 R CB -0.180 29.964 30.300 -0.260 0.000 0.880 138 R HN 0.269 nan 8.270 nan 0.000 0.451 139 F N -0.201 119.763 119.950 0.024 0.000 2.234 139 F HA 0.051 4.576 4.527 -0.002 0.000 0.296 139 F C 1.868 177.658 175.800 -0.017 0.000 1.089 139 F CA 1.254 59.236 58.000 -0.029 0.000 1.343 139 F CB -0.123 38.811 39.000 -0.109 0.000 1.040 139 F HN 0.237 nan 8.300 nan 0.000 0.498 140 G N 0.362 109.268 108.800 0.177 0.000 2.516 140 G HA2 -0.125 3.834 3.960 -0.003 0.000 0.220 140 G HA3 -0.125 3.834 3.960 -0.003 0.000 0.220 140 G C -0.848 174.122 174.900 0.116 0.000 1.165 140 G CA -0.238 44.931 45.100 0.116 0.000 1.013 140 G HN 0.546 nan 8.290 nan 0.000 0.590 146 E N 2.840 123.082 120.200 0.069 0.000 2.325 146 E HA 0.418 4.767 4.350 -0.003 0.000 0.295 146 E C 0.309 176.987 176.600 0.130 0.000 1.461 146 E CA -0.081 56.383 56.400 0.106 0.000 1.698 146 E CB 0.889 30.655 29.700 0.110 0.000 1.496 146 E HN 0.776 nan 8.360 nan 0.000 0.474 147 A N 1.899 124.782 122.820 0.105 0.000 2.302 147 A HA 0.224 4.542 4.320 -0.003 0.000 0.295 147 A C -0.610 177.062 177.584 0.146 0.000 1.235 147 A CA -0.375 51.729 52.037 0.112 0.000 0.876 147 A CB -0.124 18.910 19.000 0.057 0.000 1.133 147 A HN 0.418 nan 8.150 nan 0.000 0.533 148 F N 4.274 124.269 119.950 0.074 0.000 2.404 148 F HA 0.509 5.035 4.527 -0.003 0.000 0.358 148 F C -0.459 175.375 175.800 0.056 0.000 1.120 148 F CA -0.309 57.738 58.000 0.079 0.000 1.144 148 F CB 1.057 40.105 39.000 0.080 0.000 1.133 148 F HN 0.259 nan 8.300 nan 0.000 0.495 149 V N 8.406 127.969 119.914 -0.586 0.000 2.350 149 V HA 0.316 4.434 4.120 -0.003 0.000 0.285 149 V C -2.079 173.727 176.094 -0.480 0.000 1.014 149 V CA -1.971 60.129 62.300 -0.334 0.000 0.831 149 V CB 1.257 32.979 31.823 -0.169 0.000 1.000 149 V HN 0.652 nan 8.190 nan 0.000 0.433 150 P HA 0.099 nan 4.420 nan 0.000 0.262 150 P C 0.897 178.146 177.300 -0.083 0.000 1.182 150 P CA 0.441 63.490 63.100 -0.085 0.000 0.761 150 P CB 0.803 32.552 31.700 0.082 0.000 0.795 151 G N 1.422 110.197 108.800 -0.042 0.000 2.762 151 G HA2 0.181 4.139 3.960 -0.003 0.000 0.209 151 G HA3 0.181 4.139 3.960 -0.003 0.000 0.209 151 G C -0.309 174.677 174.900 0.144 0.000 1.134 151 G CA 0.308 45.432 45.100 0.039 0.000 0.781 151 G HN 0.436 nan 8.290 nan 0.000 0.528 152 F N -0.429 119.500 119.950 -0.036 0.000 2.703 152 F HA 0.504 5.030 4.527 -0.003 0.000 0.308 152 F C -1.036 174.741 175.800 -0.038 0.000 1.126 152 F CA -0.590 57.386 58.000 -0.039 0.000 0.959 152 F CB 2.095 41.062 39.000 -0.056 0.000 1.297 152 F HN -0.172 nan 8.300 nan 0.000 0.441 153 T N 2.873 117.487 114.554 0.100 0.000 2.876 153 T HA 0.653 5.002 4.350 -0.003 0.000 0.289 153 T C -1.458 173.322 174.700 0.133 0.000 1.014 153 T CA -0.646 61.508 62.100 0.088 0.000 0.986 153 T CB 2.006 70.895 68.868 0.036 0.000 1.021 153 T HN 0.286 nan 8.240 nan 0.000 0.458 154 V N 3.177 123.144 119.914 0.089 0.000 2.350 154 V HA 0.380 4.499 4.120 -0.003 0.000 0.285 154 V C -0.243 175.905 176.094 0.090 0.000 1.014 154 V CA -0.750 61.602 62.300 0.087 0.000 0.831 154 V CB 1.593 33.432 31.823 0.026 0.000 1.000 154 V HN 0.723 nan 8.190 nan 0.000 0.433 155 V N 5.255 125.246 119.914 0.129 0.000 2.334 155 V HA 0.302 4.420 4.120 -0.003 0.000 0.267 155 V C 0.100 176.264 176.094 0.117 0.000 1.040 155 V CA -0.389 61.978 62.300 0.113 0.000 0.866 155 V CB 0.543 32.450 31.823 0.140 0.000 1.019 155 V HN 0.841 nan 8.190 nan 0.000 0.468 156 H N 4.617 123.668 119.070 -0.031 0.000 2.504 156 H HA 0.674 5.229 4.556 -0.003 0.000 0.322 156 H C -0.332 174.955 175.328 -0.068 0.000 1.055 156 H CA -0.462 55.536 56.048 -0.084 0.000 1.231 156 H CB 1.595 31.274 29.762 -0.138 0.000 1.417 156 H HN 0.669 nan 8.280 nan 0.000 0.472 157 A N 7.616 130.241 122.820 -0.325 0.000 3.127 157 A HA 0.246 4.564 4.320 -0.003 0.000 0.319 157 A C -2.213 175.182 177.584 -0.314 0.000 1.104 157 A CA -1.161 50.742 52.037 -0.224 0.000 0.802 157 A CB 0.665 19.614 19.000 -0.085 0.000 1.193 157 A HN 0.608 nan 8.150 nan 0.000 0.479 158 P HA -0.168 nan 4.420 nan 0.000 0.222 158 P C 0.556 177.687 177.300 -0.281 0.000 1.147 158 P CA 1.322 64.129 63.100 -0.489 0.000 0.790 158 P CB 0.109 31.391 31.700 -0.697 0.000 0.780 159 Y N -1.519 118.766 120.300 -0.024 0.000 2.517 159 Y HA 0.181 4.729 4.550 -0.003 0.000 0.281 159 Y C 1.245 177.101 175.900 -0.073 0.000 1.125 159 Y CA -0.641 57.479 58.100 0.033 0.000 1.283 159 Y CB -0.816 37.733 38.460 0.148 0.000 1.042 159 Y HN -0.170 nan 8.280 nan 0.000 0.547 160 F N 2.597 122.396 119.950 -0.251 0.000 2.506 160 F HA 0.187 4.712 4.527 -0.003 0.000 0.371 160 F C 0.030 175.705 175.800 -0.210 0.000 1.078 160 F CA -0.739 56.979 58.000 -0.470 0.000 1.195 160 F CB 0.374 39.008 39.000 -0.610 0.000 1.099 160 F HN -0.110 nan 8.300 nan 0.000 0.548 161 Q N 5.863 125.515 119.800 -0.246 0.000 2.303 161 Q HA 0.467 4.806 4.340 -0.003 0.000 0.257 161 Q C -0.114 175.880 176.000 -0.011 0.000 0.941 161 Q CA -0.528 55.246 55.803 -0.048 0.000 0.931 161 Q CB 1.486 30.180 28.738 -0.073 0.000 1.215 161 Q HN 0.793 nan 8.270 nan 0.000 0.437 162 A N 2.407 125.337 122.820 0.182 0.000 2.351 162 A HA 0.467 4.786 4.320 -0.003 0.000 0.257 162 A C -0.211 177.426 177.584 0.088 0.000 1.087 162 A CA -0.418 51.739 52.037 0.200 0.000 0.798 162 A CB 0.696 19.785 19.000 0.147 0.000 1.033 162 A HN 0.468 nan 8.150 nan 0.000 0.488 163 V N 4.286 124.243 119.914 0.072 0.000 2.325 163 V HA 0.213 4.331 4.120 -0.003 0.000 0.280 163 V C -1.779 174.344 176.094 0.048 0.000 1.016 163 V CA -0.910 61.414 62.300 0.041 0.000 0.818 163 V CB 1.269 33.099 31.823 0.011 0.000 1.019 163 V HN 0.790 nan 8.190 nan 0.000 0.434 164 P HA -0.248 nan 4.420 nan 0.000 0.217 164 P C 1.608 178.935 177.300 0.044 0.000 1.162 164 P CA 1.536 64.677 63.100 0.068 0.000 0.901 164 P CB 0.451 32.197 31.700 0.076 0.000 0.793 165 E N -0.672 119.547 120.200 0.031 0.000 2.110 165 E HA -0.240 4.108 4.350 -0.003 0.000 0.193 165 E C 2.266 178.871 176.600 0.009 0.000 0.988 165 E CA 0.892 57.302 56.400 0.017 0.000 0.804 165 E CB -0.146 29.562 29.700 0.014 0.000 0.745 165 E HN 0.038 nan 8.360 nan 0.000 0.458 166 R N -0.105 120.403 120.500 0.012 0.000 2.080 166 R HA -0.069 4.270 4.340 -0.003 0.000 0.222 166 R C 0.730 177.033 176.300 0.005 0.000 1.107 166 R CA 1.866 57.971 56.100 0.007 0.000 0.980 166 R CB 0.188 30.494 30.300 0.010 0.000 0.879 166 R HN 0.121 nan 8.270 nan 0.000 0.439 167 D N -1.957 118.451 120.400 0.013 0.000 2.423 167 D HA 0.203 4.841 4.640 -0.003 0.000 0.208 167 D C 0.564 176.879 176.300 0.025 0.000 1.068 167 D CA 0.736 54.737 54.000 0.001 0.000 0.860 167 D CB 1.250 42.034 40.800 -0.027 0.000 0.992 167 D HN 0.435 nan 8.370 nan 0.000 0.504 168 G N 1.226 110.047 108.800 0.035 0.000 2.132 168 G HA2 -0.265 3.694 3.960 -0.003 0.000 0.234 168 G HA3 -0.265 3.694 3.960 -0.003 0.000 0.234 168 G C 0.587 175.590 174.900 0.173 0.000 0.989 168 G CA 0.500 45.617 45.100 0.029 0.000 0.676 168 G HN 0.452 nan 8.290 nan 0.000 0.522 169 T N -3.111 111.557 114.554 0.189 0.000 2.824 169 T HA 0.611 4.959 4.350 -0.003 0.000 0.277 169 T C 1.292 176.129 174.700 0.228 0.000 0.975 169 T CA 0.228 62.465 62.100 0.229 0.000 0.966 169 T CB 1.826 70.799 68.868 0.174 0.000 1.054 169 T HN 0.255 nan 8.240 nan 0.000 0.533 170 R N -0.183 120.503 120.500 0.311 0.000 2.161 170 R HA 0.123 4.462 4.340 -0.003 0.000 0.213 170 R C 0.741 177.154 176.300 0.189 0.000 1.055 170 R CA 0.911 57.167 56.100 0.261 0.000 0.996 170 R CB -0.074 30.415 30.300 0.315 0.000 0.901 170 R HN 0.878 nan 8.270 nan 0.000 0.456 171 S N -1.777 114.040 115.700 0.194 0.000 2.873 171 S HA 0.019 4.488 4.470 -0.003 0.000 0.303 171 S C 0.547 175.233 174.600 0.144 0.000 1.222 171 S CA -0.527 57.764 58.200 0.151 0.000 0.923 171 S CB 0.727 64.014 63.200 0.144 0.000 1.286 171 S HN 0.274 nan 8.310 nan 0.000 0.571 172 E N 0.067 120.346 120.200 0.131 0.000 2.208 172 E HA 0.089 4.438 4.350 -0.003 0.000 0.193 172 E C 0.185 176.848 176.600 0.105 0.000 0.988 172 E CA 0.835 57.308 56.400 0.122 0.000 0.828 172 E CB -0.294 29.490 29.700 0.141 0.000 0.763 172 E HN 0.319 nan 8.360 nan 0.000 0.478 173 V N 1.434 121.377 119.914 0.048 0.000 2.607 173 V HA 0.336 4.454 4.120 -0.003 0.000 0.289 173 V C -0.772 175.406 176.094 0.139 0.000 1.053 173 V CA -0.375 61.904 62.300 -0.034 0.000 0.996 173 V CB 0.790 32.428 31.823 -0.308 0.000 0.995 173 V HN 0.259 nan 8.190 nan 0.000 0.476 174 F N 4.383 124.303 119.950 -0.051 0.000 2.630 174 F HA 0.641 5.166 4.527 -0.003 0.000 0.325 174 F C -1.114 174.678 175.800 -0.012 0.000 1.184 174 F CA -0.524 57.471 58.000 -0.008 0.000 1.011 174 F CB 1.663 40.626 39.000 -0.063 0.000 1.268 174 F HN 0.213 nan 8.300 nan 0.000 0.480 175 V N 5.441 125.001 119.914 -0.591 0.000 2.380 175 V HA 0.769 4.887 4.120 -0.003 0.000 0.286 175 V C -0.014 175.662 176.094 -0.697 0.000 1.015 175 V CA -0.439 61.605 62.300 -0.426 0.000 0.834 175 V CB 1.304 32.996 31.823 -0.218 0.000 1.009 175 V HN 1.007 nan 8.190 nan 0.000 0.428 176 G N 4.781 113.238 108.800 -0.572 0.000 2.590 176 G HA2 0.792 4.750 3.960 -0.003 0.000 0.310 176 G HA3 0.792 4.750 3.960 -0.003 0.000 0.310 176 G C -1.043 173.809 174.900 -0.080 0.000 1.347 176 G CA -0.579 44.324 45.100 -0.327 0.000 0.963 176 G HN 0.572 nan 8.290 nan 0.000 0.494 177 I N 1.291 121.744 120.570 -0.195 0.000 2.377 177 I HA 0.400 4.568 4.170 -0.003 0.000 0.293 177 I C 0.126 175.972 176.117 -0.452 0.000 0.987 177 I CA -0.695 60.413 61.300 -0.319 0.000 1.185 177 I CB 2.234 39.941 38.000 -0.489 0.000 1.341 177 I HN 0.426 nan 8.210 nan 0.000 0.455 178 S N 5.379 120.791 115.700 -0.480 0.000 2.667 178 S HA 0.395 4.864 4.470 -0.003 0.000 0.304 178 S C 0.594 174.989 174.600 -0.341 0.000 1.135 178 S CA -0.535 57.385 58.200 -0.467 0.000 1.125 178 S CB 0.206 63.018 63.200 -0.647 0.000 0.996 178 S HN 0.464 nan 8.310 nan 0.000 0.474 179 F N 2.647 122.533 119.950 -0.106 0.000 2.234 179 F HA -0.034 4.491 4.527 -0.003 0.000 0.299 179 F C 2.595 178.331 175.800 -0.107 0.000 1.087 179 F CA 1.166 59.118 58.000 -0.079 0.000 1.340 179 F CB -0.116 38.678 39.000 -0.344 0.000 1.031 179 F HN 0.589 nan 8.300 nan 0.000 0.500 180 Q N 0.384 120.215 119.800 0.052 0.000 2.046 180 Q HA -0.140 4.198 4.340 -0.003 0.000 0.200 180 Q C 2.088 178.041 176.000 -0.079 0.000 0.975 180 Q CA 1.263 57.075 55.803 0.014 0.000 0.836 180 Q CB -0.005 28.745 28.738 0.021 0.000 0.896 180 Q HN 0.308 nan 8.270 nan 0.000 0.428 181 R N -0.157 120.250 120.500 -0.155 0.000 2.310 181 R HA 0.122 4.461 4.340 -0.003 0.000 0.202 181 R C 0.000 176.081 176.300 -0.365 0.000 0.933 181 R CA 0.056 56.035 56.100 -0.201 0.000 1.054 181 R CB 0.261 30.459 30.300 -0.170 0.000 0.985 181 R HN 0.235 nan 8.270 nan 0.000 0.489 182 R N 0.494 120.641 120.500 -0.589 0.000 3.336 182 R HA -0.155 4.184 4.340 -0.003 0.000 0.260 182 R C -1.011 174.532 176.300 -1.263 0.000 1.032 182 R CA 0.436 55.674 56.100 -1.438 0.000 0.693 182 R CB -1.802 27.917 30.300 -0.968 0.000 1.134 182 R HN 0.147 nan 8.270 nan 0.000 0.433 183 L N -0.184 120.664 121.223 -0.626 0.000 2.370 183 L HA 0.711 5.050 4.340 -0.003 0.000 0.266 183 L C -0.105 176.829 176.870 0.106 0.000 1.002 183 L CA -1.269 53.482 54.840 -0.149 0.000 0.818 183 L CB 2.447 44.478 42.059 -0.046 0.000 1.325 183 L HN -0.201 nan 8.230 nan 0.000 0.418 184 V N 3.420 123.453 119.914 0.199 0.000 2.483 184 V HA 0.413 4.531 4.120 -0.003 0.000 0.297 184 V C -0.790 175.427 176.094 0.204 0.000 1.027 184 V CA -0.483 61.914 62.300 0.162 0.000 0.855 184 V CB 2.136 34.023 31.823 0.106 0.000 0.995 184 V HN 0.419 nan 8.190 nan 0.000 0.424 185 L N 7.196 128.583 121.223 0.272 0.000 2.305 185 L HA 0.711 5.050 4.340 -0.003 0.000 0.284 185 L C -0.747 176.255 176.870 0.219 0.000 1.013 185 L CA 0.083 55.097 54.840 0.290 0.000 0.819 185 L CB 1.203 43.524 42.059 0.437 0.000 1.227 185 L HN 0.560 nan 8.230 nan 0.000 0.417 186 I N 6.462 127.117 120.570 0.142 0.000 2.447 186 I HA 0.630 4.799 4.170 -0.003 0.000 0.287 186 I C -0.732 175.386 176.117 0.002 0.000 1.023 186 I CA -0.870 60.494 61.300 0.107 0.000 1.083 186 I CB 1.950 40.065 38.000 0.191 0.000 1.245 186 I HN 0.499 nan 8.210 nan 0.000 0.434 187 V N 1.554 121.473 119.914 0.008 0.000 3.114 187 V HA 0.914 5.032 4.120 -0.003 0.000 0.308 187 V C 0.570 176.658 176.094 -0.010 0.000 1.168 187 V CA 0.060 62.329 62.300 -0.052 0.000 1.015 187 V CB 1.450 33.219 31.823 -0.089 0.000 1.050 187 V HN 1.012 nan 8.190 nan 0.000 0.433 188 G N 0.955 109.754 108.800 -0.001 0.000 2.189 188 G HA2 -0.181 3.777 3.960 -0.003 0.000 0.267 188 G HA3 -0.181 3.777 3.960 -0.003 0.000 0.267 188 G C 0.451 175.326 174.900 -0.043 0.000 0.975 188 G CA 1.032 46.142 45.100 0.015 0.000 0.644 188 G HN 1.893 nan 8.290 nan 0.000 0.537 189 T N -1.321 113.178 114.554 -0.092 0.000 2.916 189 T HA 0.622 4.970 4.350 -0.003 0.000 0.298 189 T C 0.806 175.511 174.700 0.009 0.000 1.031 189 T CA -0.230 61.844 62.100 -0.044 0.000 0.993 189 T CB 1.263 70.035 68.868 -0.161 0.000 1.045 189 T HN 0.118 nan 8.240 nan 0.000 0.454 190 K N 2.590 123.080 120.400 0.150 0.000 2.367 190 K HA 0.146 4.464 4.320 -0.003 0.000 0.194 190 K C -0.045 176.784 176.600 0.381 0.000 1.027 190 K CA -0.222 56.198 56.287 0.222 0.000 1.075 190 K CB 0.121 32.800 32.500 0.298 0.000 0.845 190 K HN 0.574 nan 8.250 nan 0.000 0.529 191 Y N 1.768 122.183 120.300 0.192 0.000 2.745 191 Y HA -0.073 4.476 4.550 -0.003 0.000 0.335 191 Y C 1.245 177.170 175.900 0.041 0.000 1.212 191 Y CA -0.812 57.386 58.100 0.163 0.000 1.535 191 Y CB 0.395 38.941 38.460 0.143 0.000 1.220 191 Y HN 0.097 nan 8.280 nan 0.000 0.531 192 A N 5.020 127.503 122.820 -0.562 0.000 2.019 192 A HA -0.083 4.236 4.320 -0.003 0.000 0.219 192 A C 2.306 179.175 177.584 -1.192 0.000 1.164 192 A CA 1.445 52.854 52.037 -1.047 0.000 0.644 192 A CB -1.214 16.858 19.000 -1.546 0.000 0.805 192 A HN 1.029 nan 8.150 nan 0.000 0.449 193 G N -0.339 107.609 108.800 -1.420 0.000 2.462 193 G HA2 -0.203 3.756 3.960 -0.003 0.000 0.220 193 G HA3 -0.203 3.756 3.960 -0.003 0.000 0.220 193 G C 1.312 176.075 174.900 -0.228 0.000 1.121 193 G CA 0.897 45.559 45.100 -0.729 0.000 0.758 193 G HN 0.517 nan 8.290 nan 0.000 0.559 194 E N 0.435 120.552 120.200 -0.139 0.000 2.110 194 E HA -0.090 4.259 4.350 -0.003 0.000 0.193 194 E C 2.551 179.111 176.600 -0.067 0.000 0.988 194 E CA 0.580 56.980 56.400 0.001 0.000 0.804 194 E CB -0.143 29.579 29.700 0.036 0.000 0.745 194 E HN 0.549 nan 8.360 nan 0.000 0.458 195 I N 0.950 121.412 120.570 -0.180 0.000 2.233 195 I HA -0.250 3.918 4.170 -0.003 0.000 0.243 195 I C 2.670 178.836 176.117 0.082 0.000 1.093 195 I CA 1.100 62.341 61.300 -0.099 0.000 1.380 195 I CB -0.263 37.636 38.000 -0.169 0.000 1.067 195 I HN 0.033 nan 8.210 nan 0.000 0.413 196 K N 1.287 121.709 120.400 0.038 0.000 2.032 196 K HA -0.206 4.113 4.320 -0.003 0.000 0.209 196 K C 2.133 178.784 176.600 0.085 0.000 1.048 196 K CA 1.495 57.818 56.287 0.059 0.000 0.927 196 K CB 0.088 32.502 32.500 -0.143 0.000 0.712 196 K HN -0.021 nan 8.250 nan 0.000 0.441 197 K N 0.618 121.040 120.400 0.036 0.000 2.217 197 K HA -0.028 4.291 4.320 -0.003 0.000 0.202 197 K C 2.262 178.942 176.600 0.134 0.000 1.051 197 K CA 1.411 57.742 56.287 0.073 0.000 0.952 197 K CB -0.154 32.414 32.500 0.112 0.000 0.736 197 K HN 0.407 nan 8.250 nan 0.000 0.453 198 S N 0.771 116.518 115.700 0.078 0.000 2.406 198 S HA -0.045 4.424 4.470 -0.003 0.000 0.228 198 S C 1.933 176.520 174.600 -0.021 0.000 1.020 198 S CA 0.553 58.764 58.200 0.018 0.000 0.965 198 S CB -0.179 63.007 63.200 -0.023 0.000 0.798 198 S HN 0.021 nan 8.310 nan 0.000 0.488 199 I N 0.896 121.486 120.570 0.034 0.000 2.353 199 I HA 0.033 4.202 4.170 -0.003 0.000 0.248 199 I C 2.195 178.363 176.117 0.084 0.000 1.119 199 I CA 0.741 62.025 61.300 -0.027 0.000 1.417 199 I CB -1.354 36.647 38.000 0.002 0.000 1.078 199 I HN 0.280 nan 8.210 nan 0.000 0.421 200 F N 2.383 122.337 119.950 0.006 0.000 2.171 200 F HA -0.195 4.331 4.527 -0.002 0.000 0.300 200 F C 2.497 178.338 175.800 0.068 0.000 1.090 200 F CA 1.580 59.602 58.000 0.038 0.000 1.293 200 F CB -0.862 38.087 39.000 -0.085 0.000 1.013 200 F HN 0.013 nan 8.300 nan 0.000 0.486 201 T N 0.071 114.613 114.554 -0.019 0.000 2.788 201 T HA -0.127 4.221 4.350 -0.003 0.000 0.268 201 T C 2.300 177.022 174.700 0.036 0.000 1.044 201 T CA 1.519 63.593 62.100 -0.042 0.000 1.139 201 T CB -0.613 68.280 68.868 0.042 0.000 0.867 201 T HN 0.118 nan 8.240 nan 0.000 0.454 202 V N 1.790 121.673 119.914 -0.051 0.000 2.295 202 V HA -0.164 3.954 4.120 -0.003 0.000 0.246 202 V C 2.590 178.705 176.094 0.034 0.000 1.049 202 V CA 1.366 63.617 62.300 -0.082 0.000 1.024 202 V CB -0.521 30.921 31.823 -0.634 0.000 0.648 202 V HN 0.445 nan 8.190 nan 0.000 0.447 203 M N 0.208 119.780 119.600 -0.047 0.000 2.213 203 M HA -0.109 4.370 4.480 -0.003 0.000 0.263 203 M C 1.822 178.155 176.300 0.055 0.000 1.062 203 M CA 1.355 56.606 55.300 -0.082 0.000 1.105 203 M CB -1.454 30.952 32.600 -0.324 0.000 1.385 203 M HN 0.401 nan 8.290 nan 0.000 0.417 204 N N -0.693 118.043 118.700 0.060 0.000 2.550 204 N HA -0.129 4.609 4.740 -0.003 0.000 0.186 204 N C 1.404 177.069 175.510 0.257 0.000 1.110 204 N CA 0.742 53.870 53.050 0.132 0.000 0.912 204 N CB -0.189 38.225 38.487 -0.121 0.000 0.968 204 N HN 0.496 nan 8.380 nan 0.000 0.448 205 Y N 0.383 120.715 120.300 0.054 0.000 2.422 205 Y HA 0.243 4.791 4.550 -0.003 0.000 0.291 205 Y C 1.960 177.848 175.900 -0.020 0.000 1.144 205 Y CA 0.395 58.464 58.100 -0.052 0.000 1.208 205 Y CB -0.199 38.102 38.460 -0.265 0.000 1.195 205 Y HN -0.162 nan 8.280 nan 0.000 0.535 206 L N -0.426 120.873 121.223 0.127 0.000 2.027 206 L HA -0.204 4.134 4.340 -0.003 0.000 0.206 206 L C 2.394 179.277 176.870 0.021 0.000 1.074 206 L CA 0.972 55.849 54.840 0.062 0.000 0.745 206 L CB -0.526 41.630 42.059 0.161 0.000 0.898 206 L HN 0.283 nan 8.230 nan 0.000 0.433 207 M N -0.262 119.375 119.600 0.061 0.000 2.080 207 M HA -0.126 4.352 4.480 -0.003 0.000 0.260 207 M C -0.164 176.183 176.300 0.079 0.000 1.068 207 M CA 2.094 57.455 55.300 0.100 0.000 1.109 207 M CB -2.128 30.573 32.600 0.169 0.000 1.342 207 M HN 0.038 nan 8.290 nan 0.000 0.405 208 P HA -0.156 nan 4.420 nan 0.000 0.218 208 P C 1.239 178.503 177.300 -0.059 0.000 1.148 208 P CA 1.440 64.536 63.100 -0.006 0.000 0.822 208 P CB -0.238 31.398 31.700 -0.106 0.000 0.784 209 K N -0.800 119.536 120.400 -0.107 0.000 2.288 209 K HA -0.014 4.305 4.320 -0.003 0.000 0.201 209 K C 1.791 178.391 176.600 0.001 0.000 1.048 209 K CA 0.695 56.925 56.287 -0.096 0.000 0.956 209 K CB -0.021 32.384 32.500 -0.157 0.000 0.746 209 K HN -0.011 nan 8.250 nan 0.000 0.461 210 R N -0.405 120.130 120.500 0.058 0.000 2.310 210 R HA 0.067 4.406 4.340 -0.003 0.000 0.202 210 R C 0.938 177.324 176.300 0.143 0.000 0.933 210 R CA 0.705 56.895 56.100 0.149 0.000 1.054 210 R CB 0.508 30.969 30.300 0.267 0.000 0.985 210 R HN 0.421 nan 8.270 nan 0.000 0.489 211 G N 0.600 109.444 108.800 0.072 0.000 2.159 211 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.256 211 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.256 211 G C 0.114 175.050 174.900 0.060 0.000 0.977 211 G CA 0.203 45.339 45.100 0.060 0.000 0.652 211 G HN 0.161 nan 8.290 nan 0.000 0.531 212 V N 1.233 121.180 119.914 0.056 0.000 2.439 212 V HA 0.602 4.720 4.120 -0.003 0.000 0.282 212 V C 0.258 176.493 176.094 0.235 0.000 1.039 212 V CA -0.750 61.597 62.300 0.080 0.000 0.913 212 V CB 1.418 33.222 31.823 -0.031 0.000 0.983 212 V HN 0.365 nan 8.190 nan 0.000 0.460 213 F N 9.250 129.273 119.950 0.121 0.000 2.413 213 F HA 0.517 5.043 4.527 -0.003 0.000 0.359 213 F C -2.042 173.955 175.800 0.327 0.000 1.122 213 F CA -3.075 55.053 58.000 0.213 0.000 1.160 213 F CB 0.813 39.907 39.000 0.157 0.000 1.146 213 F HN 0.317 nan 8.300 nan 0.000 0.514 214 P HA 0.249 nan 4.420 nan 0.000 0.278 214 P C -1.246 175.863 177.300 -0.318 0.000 1.238 214 P CA -0.271 62.866 63.100 0.062 0.000 0.794 214 P CB 1.429 33.352 31.700 0.373 0.000 0.955 215 M N 1.805 121.304 119.600 -0.167 0.000 2.271 215 M HA 0.240 4.718 4.480 -0.003 0.000 0.285 215 M C -0.088 176.282 176.300 0.117 0.000 1.059 215 M CA -0.495 54.791 55.300 -0.022 0.000 0.940 215 M CB 2.533 34.989 32.600 -0.239 0.000 1.636 215 M HN 0.443 nan 8.290 nan 0.000 0.460 216 H N 2.774 122.016 119.070 0.287 0.000 3.014 216 H HA 0.639 5.193 4.556 -0.003 0.000 0.266 216 H C -1.272 174.047 175.328 -0.016 0.000 1.455 216 H CA -0.139 56.052 56.048 0.238 0.000 1.402 216 H CB 0.163 30.234 29.762 0.515 0.000 1.626 216 H HN 0.850 nan 8.280 nan 0.000 0.520 217 A N 3.078 125.743 122.820 -0.259 0.000 2.586 217 A HA 0.431 4.750 4.320 -0.003 0.000 0.290 217 A C -0.830 176.649 177.584 -0.175 0.000 1.086 217 A CA -0.511 51.288 52.037 -0.397 0.000 0.665 217 A CB 1.269 19.702 19.000 -0.945 0.000 1.279 217 A HN 0.589 nan 8.150 nan 0.000 0.423 218 S N -0.145 115.485 115.700 -0.116 0.000 2.638 218 S HA 0.934 5.403 4.470 -0.003 0.000 0.298 218 S C -0.137 174.415 174.600 -0.080 0.000 1.111 218 S CA 0.012 58.196 58.200 -0.028 0.000 1.027 218 S CB 1.739 64.910 63.200 -0.049 0.000 1.064 218 S HN 2.400 nan 8.310 nan 0.000 0.525 219 A N 1.492 124.192 122.820 -0.200 0.000 2.572 219 A HA 0.824 5.143 4.320 -0.003 0.000 0.295 219 A C -1.076 176.491 177.584 -0.027 0.000 1.072 219 A CA -0.958 50.961 52.037 -0.196 0.000 0.691 219 A CB 1.291 19.877 19.000 -0.690 0.000 1.291 219 A HN 1.166 nan 8.150 nan 0.000 0.404 220 N N -0.727 118.016 118.700 0.071 0.000 2.853 220 N HA 0.702 5.440 4.740 -0.003 0.000 0.258 220 N C -1.785 173.737 175.510 0.020 0.000 1.444 220 N CA -0.687 52.396 53.050 0.054 0.000 0.837 220 N CB 1.810 40.350 38.487 0.089 0.000 1.489 220 N HN 1.056 nan 8.380 nan 0.000 0.529 221 V N -0.856 119.066 119.914 0.012 0.000 2.841 221 V HA 0.880 4.998 4.120 -0.003 0.000 0.310 221 V C 0.354 176.453 176.094 0.009 0.000 1.090 221 V CA -0.322 61.977 62.300 -0.002 0.000 0.930 221 V CB 1.392 33.206 31.823 -0.015 0.000 1.014 221 V HN 1.039 nan 8.190 nan 0.000 0.425 222 G N 3.037 111.843 108.800 0.009 0.000 2.557 222 G HA2 0.281 4.239 3.960 -0.003 0.000 0.292 222 G HA3 0.281 4.239 3.960 -0.003 0.000 0.292 222 G C 0.542 175.446 174.900 0.005 0.000 1.237 222 G CA 0.212 45.318 45.100 0.011 0.000 0.978 222 G HN 0.999 nan 8.290 nan 0.000 0.498 223 K N -0.500 119.903 120.400 0.005 0.000 2.044 223 K HA -0.130 4.188 4.320 -0.003 0.000 0.210 223 K C 1.682 178.286 176.600 0.005 0.000 1.049 223 K CA 1.724 58.014 56.287 0.004 0.000 0.927 223 K CB -0.071 32.430 32.500 0.003 0.000 0.713 223 K HN 0.401 nan 8.250 nan 0.000 0.443 224 E N -0.477 119.728 120.200 0.007 0.000 2.516 224 E HA -0.059 4.290 4.350 -0.003 0.000 0.199 224 E C 0.947 177.552 176.600 0.009 0.000 1.069 224 E CA 0.961 57.367 56.400 0.009 0.000 0.876 224 E CB 0.206 29.913 29.700 0.011 0.000 0.843 224 E HN 0.701 nan 8.360 nan 0.000 0.530 225 G N 2.702 111.505 108.800 0.005 0.000 2.141 225 G HA2 -0.223 3.736 3.960 -0.003 0.000 0.231 225 G HA3 -0.223 3.736 3.960 -0.003 0.000 0.231 225 G C -0.234 174.662 174.900 -0.007 0.000 0.984 225 G CA 0.214 45.314 45.100 0.000 0.000 0.660 225 G HN 0.354 nan 8.290 nan 0.000 0.525 226 D N 0.884 121.281 120.400 -0.005 0.000 2.325 226 D HA 0.404 5.043 4.640 -0.003 0.000 0.251 226 D C 0.518 176.798 176.300 -0.034 0.000 1.196 226 D CA -0.444 53.547 54.000 -0.014 0.000 0.866 226 D CB 1.914 42.714 40.800 -0.000 0.000 1.101 226 D HN 0.119 nan 8.370 nan 0.000 0.476 227 V N 1.349 121.218 119.914 -0.074 0.000 2.649 227 V HA 0.542 4.661 4.120 -0.003 0.000 0.292 227 V C 0.641 176.635 176.094 -0.167 0.000 1.055 227 V CA -0.567 61.660 62.300 -0.122 0.000 1.023 227 V CB 1.048 32.760 31.823 -0.184 0.000 0.992 227 V HN 0.865 nan 8.190 nan 0.000 0.480 228 A N 4.433 127.150 122.820 -0.172 0.000 2.386 228 A HA 0.864 5.182 4.320 -0.003 0.000 0.311 228 A C -1.027 176.249 177.584 -0.514 0.000 1.068 228 A CA -0.540 51.316 52.037 -0.301 0.000 0.743 228 A CB 1.831 20.754 19.000 -0.129 0.000 1.258 228 A HN 0.614 nan 8.150 nan 0.000 0.429 229 V N 1.650 121.149 119.914 -0.692 0.000 2.604 229 V HA 0.593 4.711 4.120 -0.003 0.000 0.305 229 V C -1.454 174.243 176.094 -0.662 0.000 1.043 229 V CA -0.294 61.639 62.300 -0.613 0.000 0.888 229 V CB 1.375 32.926 31.823 -0.452 0.000 0.995 229 V HN 0.696 nan 8.190 nan 0.000 0.429 230 F N 4.152 124.031 119.950 -0.119 0.000 2.513 230 F HA 0.621 5.147 4.527 -0.002 0.000 0.358 230 F C -0.322 175.408 175.800 -0.116 0.000 1.118 230 F CA -0.734 57.271 58.000 0.008 0.000 1.037 230 F CB 0.740 39.715 39.000 -0.041 0.000 1.276 230 F HN 0.240 nan 8.300 nan 0.000 0.446 231 F N 1.439 121.465 119.950 0.127 0.000 2.371 231 F HA 0.772 5.298 4.527 -0.002 0.000 0.329 231 F C 0.837 176.498 175.800 -0.232 0.000 1.107 231 F CA -0.525 57.469 58.000 -0.011 0.000 1.137 231 F CB 1.457 40.494 39.000 0.062 0.000 1.214 231 F HN 0.616 nan 8.300 nan 0.000 0.536 232 G N 1.426 110.212 108.800 -0.024 0.000 2.358 232 G HA2 0.278 4.237 3.960 -0.003 0.000 0.303 232 G HA3 0.278 4.237 3.960 -0.003 0.000 0.303 232 G C -1.655 173.288 174.900 0.072 0.000 1.537 232 G CA -1.175 43.916 45.100 -0.016 0.000 0.928 232 G HN 0.591 nan 8.290 nan 0.000 0.656 233 L N 0.427 121.777 121.223 0.212 0.000 2.482 233 L HA 0.535 4.874 4.340 -0.003 0.000 0.242 233 L C 1.608 178.577 176.870 0.165 0.000 1.210 233 L CA -0.521 54.474 54.840 0.258 0.000 0.819 233 L CB 1.158 43.358 42.059 0.235 0.000 1.203 233 L HN 0.659 nan 8.230 nan 0.000 0.495 234 S N 0.071 115.891 115.700 0.201 0.000 2.546 234 S HA 0.199 4.668 4.470 -0.003 0.000 0.290 234 S C 0.870 175.522 174.600 0.086 0.000 1.290 234 S CA 0.312 58.597 58.200 0.142 0.000 1.069 234 S CB 0.004 63.300 63.200 0.160 0.000 0.846 234 S HN 0.954 nan 8.310 nan 0.000 0.495 235 G N 3.428 112.258 108.800 0.051 0.000 2.249 235 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.273 235 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.273 235 G C 0.545 175.455 174.900 0.016 0.000 1.036 235 G CA 0.902 46.020 45.100 0.029 0.000 0.824 235 G HN 1.413 nan 8.290 nan 0.000 0.504 236 T N -4.200 110.358 114.554 0.006 0.000 3.010 236 T HA 0.514 4.862 4.350 -0.003 0.000 0.257 236 T C 1.815 176.487 174.700 -0.047 0.000 1.020 236 T CA 1.335 63.431 62.100 -0.008 0.000 0.938 236 T CB 0.948 69.832 68.868 0.026 0.000 1.049 236 T HN 2.005 nan 8.240 nan 0.000 0.522 237 G N 1.202 109.963 108.800 -0.065 0.000 2.273 237 G HA2 -0.152 3.807 3.960 -0.003 0.000 0.162 237 G HA3 -0.152 3.807 3.960 -0.003 0.000 0.162 237 G C 0.799 175.605 174.900 -0.157 0.000 1.006 237 G CA 0.124 45.159 45.100 -0.108 0.000 0.704 237 G HN 0.380 nan 8.290 nan 0.000 0.487 238 K N 0.074 120.398 120.400 -0.126 0.000 2.032 238 K HA -0.091 4.228 4.320 -0.003 0.000 0.209 238 K C 2.513 178.961 176.600 -0.254 0.000 1.048 238 K CA 2.023 58.210 56.287 -0.167 0.000 0.927 238 K CB -0.230 32.197 32.500 -0.122 0.000 0.712 238 K HN 0.352 nan 8.250 nan 0.000 0.441 239 T N 0.310 114.759 114.554 -0.176 0.000 2.770 239 T HA -0.079 4.270 4.350 -0.003 0.000 0.263 239 T C 1.942 176.520 174.700 -0.203 0.000 1.039 239 T CA 1.569 63.570 62.100 -0.165 0.000 1.142 239 T CB -0.277 68.534 68.868 -0.095 0.000 0.868 239 T HN 0.245 nan 8.240 nan 0.000 0.435 240 T N 2.351 116.794 114.554 -0.186 0.000 2.821 240 T HA 0.101 4.449 4.350 -0.003 0.000 0.267 240 T C 1.878 176.425 174.700 -0.256 0.000 1.046 240 T CA 0.807 62.798 62.100 -0.182 0.000 1.139 240 T CB -0.292 68.488 68.868 -0.145 0.000 0.871 240 T HN 0.228 nan 8.240 nan 0.000 0.454 241 L N 1.276 122.283 121.223 -0.360 0.000 2.341 241 L HA 0.043 4.381 4.340 -0.003 0.000 0.214 241 L C 2.658 179.067 176.870 -0.769 0.000 1.115 241 L CA 0.916 55.465 54.840 -0.485 0.000 0.820 241 L CB -0.354 41.418 42.059 -0.479 0.000 0.944 241 L HN 0.361 nan 8.230 nan 0.000 0.452 242 S N -2.453 112.733 115.700 -0.856 0.000 2.501 242 S HA -0.008 4.461 4.470 -0.003 0.000 0.220 242 S C 1.014 175.396 174.600 -0.364 0.000 0.997 242 S CA -0.120 57.572 58.200 -0.846 0.000 0.919 242 S CB -0.343 62.435 63.200 -0.703 0.000 0.778 242 S HN 0.179 nan 8.310 nan 0.000 0.523 243 T N 3.680 118.064 114.554 -0.283 0.000 2.738 243 T HA 0.354 4.702 4.350 -0.003 0.000 0.294 243 T C -0.945 173.670 174.700 -0.142 0.000 0.914 243 T CA -0.075 61.925 62.100 -0.166 0.000 1.052 243 T CB 0.317 69.104 68.868 -0.135 0.000 0.897 243 T HN 0.330 nan 8.240 nan 0.000 0.522 244 D N 4.302 124.641 120.400 -0.103 0.000 2.890 244 D HA 0.221 4.859 4.640 -0.003 0.000 0.233 244 D C -1.872 174.397 176.300 -0.052 0.000 1.306 244 D CA -2.055 51.898 54.000 -0.078 0.000 0.929 244 D CB 2.506 43.265 40.800 -0.070 0.000 1.512 244 D HN 0.111 nan 8.370 nan 0.000 0.568 245 P HA -0.099 nan 4.420 nan 0.000 0.221 245 P C 0.593 177.877 177.300 -0.027 0.000 1.145 245 P CA 0.849 63.927 63.100 -0.036 0.000 0.795 245 P CB 0.677 32.355 31.700 -0.037 0.000 0.775 246 E N -0.406 119.779 120.200 -0.025 0.000 2.474 246 E HA 0.100 4.448 4.350 -0.003 0.000 0.195 246 E C 0.512 177.106 176.600 -0.009 0.000 1.039 246 E CA 0.174 56.564 56.400 -0.016 0.000 0.881 246 E CB 0.310 30.001 29.700 -0.015 0.000 0.970 246 E HN 0.398 nan 8.360 nan 0.000 0.486 247 R N 1.168 121.662 120.500 -0.011 0.000 2.472 247 R HA 0.307 4.645 4.340 -0.003 0.000 0.294 247 R C -2.688 173.610 176.300 -0.004 0.000 1.243 247 R CA -1.934 54.166 56.100 -0.000 0.000 1.023 247 R CB 1.475 31.784 30.300 0.015 0.000 1.157 247 R HN -0.164 nan 8.270 nan 0.000 0.530 248 P HA -0.130 nan 4.420 nan 0.000 0.261 248 P C -0.544 176.759 177.300 0.004 0.000 1.173 248 P CA -0.113 62.987 63.100 -0.001 0.000 0.760 248 P CB 0.494 32.195 31.700 0.002 0.000 0.783 249 L N 4.905 126.130 121.223 0.003 0.000 2.367 249 L HA 0.149 4.488 4.340 -0.003 0.000 0.275 249 L C 0.904 177.793 176.870 0.032 0.000 1.129 249 L CA 0.511 55.357 54.840 0.010 0.000 0.839 249 L CB 0.079 42.141 42.059 0.005 0.000 1.133 249 L HN 0.385 nan 8.230 nan 0.000 0.453 250 I N 3.281 123.878 120.570 0.046 0.000 2.494 250 I HA 0.294 4.462 4.170 -0.003 0.000 0.250 250 I C 1.061 177.289 176.117 0.185 0.000 1.112 250 I CA 0.641 61.996 61.300 0.092 0.000 1.438 250 I CB -0.191 37.846 38.000 0.061 0.000 1.111 250 I HN 0.741 nan 8.210 nan 0.000 0.431 251 G N 0.371 109.330 108.800 0.265 0.000 2.632 251 G HA2 0.252 4.210 3.960 -0.003 0.000 0.292 251 G HA3 0.252 4.210 3.960 -0.003 0.000 0.292 251 G C -1.085 173.942 174.900 0.212 0.000 1.465 251 G CA -0.134 45.107 45.100 0.236 0.000 0.824 251 G HN 0.113 nan 8.290 nan 0.000 0.509 252 D N -1.063 119.369 120.400 0.053 0.000 2.369 252 D HA 0.187 4.825 4.640 -0.003 0.000 0.211 252 D C 0.550 176.826 176.300 -0.040 0.000 1.077 252 D CA 0.435 54.436 54.000 0.001 0.000 0.842 252 D CB 1.243 42.021 40.800 -0.036 0.000 0.947 252 D HN 0.333 nan 8.370 nan 0.000 0.509 253 D N -0.708 119.641 120.400 -0.086 0.000 2.001 253 D HA 0.095 4.734 4.640 -0.003 0.000 0.348 253 D C -0.682 175.444 176.300 -0.289 0.000 1.074 253 D CA 0.250 54.152 54.000 -0.163 0.000 0.928 253 D CB 0.826 41.525 40.800 -0.168 0.000 1.823 253 D HN 0.089 nan 8.370 nan 0.000 0.540 254 E N -0.405 119.497 120.200 -0.498 0.000 2.246 254 E HA 0.550 4.898 4.350 -0.003 0.000 0.266 254 E C -1.252 174.676 176.600 -1.119 0.000 0.880 254 E CA -0.580 55.379 56.400 -0.735 0.000 0.762 254 E CB 2.181 31.389 29.700 -0.820 0.000 1.180 254 E HN 0.152 nan 8.360 nan 0.000 0.416 255 H N 0.051 118.498 119.070 -1.038 0.000 2.985 255 H HA 0.700 5.255 4.556 -0.003 0.000 0.360 255 H C -0.402 174.089 175.328 -1.394 0.000 1.221 255 H CA -0.927 54.420 56.048 -1.168 0.000 1.121 255 H CB 2.141 31.530 29.762 -0.622 0.000 1.854 255 H HN 0.562 nan 8.280 nan 0.000 0.551 256 G N -0.170 107.997 108.800 -1.054 0.000 2.482 256 G HA2 0.363 4.321 3.960 -0.003 0.000 0.317 256 G HA3 0.363 4.321 3.960 -0.003 0.000 0.317 256 G C -1.818 172.889 174.900 -0.322 0.000 1.241 256 G CA -0.559 44.148 45.100 -0.654 0.000 0.967 256 G HN 0.444 nan 8.290 nan 0.000 0.482 257 W N 3.589 124.816 121.300 -0.122 0.000 2.336 257 W HA 0.622 5.281 4.660 -0.002 0.000 0.315 257 W C 0.284 176.896 176.519 0.156 0.000 1.016 257 W CA -1.678 55.712 57.345 0.074 0.000 1.318 257 W CB 1.218 30.838 29.460 0.267 0.000 1.247 257 W HN 0.667 nan 8.180 nan 0.000 0.414 258 S N 2.455 118.466 115.700 0.518 0.000 2.768 258 S HA 0.378 4.846 4.470 -0.003 0.000 0.300 258 S C 0.800 175.638 174.600 0.396 0.000 1.122 258 S CA -0.334 58.067 58.200 0.335 0.000 0.995 258 S CB 1.525 64.915 63.200 0.317 0.000 1.195 258 S HN 0.500 nan 8.310 nan 0.000 0.547 259 E N 0.258 120.667 120.200 0.349 0.000 2.265 259 E HA -0.132 4.217 4.350 -0.003 0.000 0.196 259 E C 0.435 177.348 176.600 0.521 0.000 0.996 259 E CA 1.228 57.869 56.400 0.401 0.000 0.832 259 E CB -0.324 29.553 29.700 0.295 0.000 0.756 259 E HN 0.583 nan 8.360 nan 0.000 0.491 260 D N 0.093 120.704 120.400 0.351 0.000 2.327 260 D HA 0.143 4.782 4.640 -0.003 0.000 0.205 260 D C 1.046 177.180 176.300 -0.276 0.000 0.989 260 D CA 1.092 55.178 54.000 0.144 0.000 0.873 260 D CB 1.062 41.961 40.800 0.164 0.000 0.955 260 D HN 0.279 nan 8.370 nan 0.000 0.515 261 G N 0.166 108.880 108.800 -0.144 0.000 2.373 261 G HA2 0.177 4.135 3.960 -0.003 0.000 0.250 261 G HA3 0.177 4.135 3.960 -0.003 0.000 0.250 261 G C -1.219 173.735 174.900 0.090 0.000 1.304 261 G CA -0.240 44.684 45.100 -0.292 0.000 0.948 261 G HN 0.194 nan 8.290 nan 0.000 0.474 262 V N -1.032 118.862 119.914 -0.035 0.000 2.713 262 V HA 0.968 5.087 4.120 -0.003 0.000 0.307 262 V C -0.315 175.891 176.094 0.187 0.000 1.052 262 V CA -0.590 61.702 62.300 -0.013 0.000 0.967 262 V CB 0.980 32.664 31.823 -0.233 0.000 1.019 262 V HN 1.843 nan 8.190 nan 0.000 0.459 263 F N 0.981 121.015 119.950 0.140 0.000 2.619 263 F HA 0.658 5.183 4.527 -0.003 0.000 0.308 263 F C -0.797 175.109 175.800 0.176 0.000 1.097 263 F CA -1.238 56.871 58.000 0.181 0.000 0.953 263 F CB 1.375 40.506 39.000 0.218 0.000 1.287 263 F HN 0.580 nan 8.300 nan 0.000 0.446 264 N N 1.781 120.655 118.700 0.291 0.000 2.520 264 N HA 0.177 4.916 4.740 -0.003 0.000 0.273 264 N C 0.208 175.883 175.510 0.276 0.000 1.155 264 N CA -0.438 52.556 53.050 -0.093 0.000 0.967 264 N CB 0.417 38.879 38.487 -0.043 0.000 1.092 264 N HN 0.622 nan 8.380 nan 0.000 0.457 265 F N 0.990 120.888 119.950 -0.087 0.000 2.512 265 F HA 0.196 4.721 4.527 -0.003 0.000 0.296 265 F C 0.943 176.831 175.800 0.146 0.000 1.110 265 F CA 0.327 58.399 58.000 0.120 0.000 1.446 265 F CB -0.146 38.890 39.000 0.060 0.000 1.092 265 F HN 0.442 nan 8.300 nan 0.000 0.554 266 E N -1.565 118.755 120.200 0.199 0.000 2.316 266 E HA 0.561 4.910 4.350 -0.003 0.000 0.258 266 E C 0.593 177.218 176.600 0.041 0.000 0.952 266 E CA -0.326 56.140 56.400 0.111 0.000 0.818 266 E CB 1.320 30.973 29.700 -0.078 0.000 1.260 266 E HN -0.006 nan 8.360 nan 0.000 0.416 267 G N -0.261 108.526 108.800 -0.023 0.000 3.441 267 G HA2 0.426 4.384 3.960 -0.003 0.000 0.263 267 G HA3 0.426 4.384 3.960 -0.003 0.000 0.263 267 G C 0.113 174.939 174.900 -0.123 0.000 1.014 267 G CA 0.341 45.416 45.100 -0.043 0.000 0.833 267 G HN 0.506 nan 8.290 nan 0.000 0.514 268 G N -1.308 107.368 108.800 -0.207 0.000 2.870 268 G HA2 0.480 4.438 3.960 -0.003 0.000 0.299 268 G HA3 0.480 4.438 3.960 -0.003 0.000 0.299 268 G C -1.643 173.084 174.900 -0.288 0.000 1.324 268 G CA -0.460 44.480 45.100 -0.266 0.000 0.808 268 G HN 0.225 nan 8.290 nan 0.000 0.535 269 C N -1.291 117.746 119.300 -0.438 0.000 2.626 269 C HA 0.646 5.105 4.460 -0.003 0.000 0.310 269 C C -1.392 173.366 174.990 -0.386 0.000 1.191 269 C CA -0.522 58.230 59.018 -0.442 0.000 1.517 269 C CB 1.299 28.693 27.740 -0.576 0.000 2.102 269 C HN 0.628 nan 8.230 nan 0.000 0.479 270 Y N 2.372 122.471 120.300 -0.336 0.000 2.562 270 Y HA 0.601 5.150 4.550 -0.003 0.000 0.363 270 Y C 0.307 176.150 175.900 -0.096 0.000 0.991 270 Y CA -0.560 57.428 58.100 -0.186 0.000 1.121 270 Y CB 0.047 38.452 38.460 -0.091 0.000 1.159 270 Y HN 0.829 nan 8.280 nan 0.000 0.651 271 A N 2.930 125.629 122.820 -0.201 0.000 2.279 271 A HA 0.613 4.932 4.320 -0.003 0.000 0.303 271 A C -0.351 177.144 177.584 -0.149 0.000 1.108 271 A CA -0.837 51.123 52.037 -0.128 0.000 0.830 271 A CB 0.728 19.718 19.000 -0.016 0.000 1.106 271 A HN 0.516 nan 8.150 nan 0.000 0.493 272 K N 0.516 120.864 120.400 -0.086 0.000 2.218 272 K HA 0.381 4.699 4.320 -0.003 0.000 0.276 272 K C 0.343 176.958 176.600 0.024 0.000 1.022 272 K CA -0.239 56.022 56.287 -0.044 0.000 0.946 272 K CB 1.298 33.788 32.500 -0.016 0.000 1.000 272 K HN 0.550 nan 8.250 nan 0.000 0.468 273 V N -0.478 119.484 119.914 0.080 0.000 3.380 273 V HA 0.177 4.296 4.120 -0.003 0.000 0.307 273 V C 0.423 176.645 176.094 0.214 0.000 1.434 273 V CA -0.513 61.876 62.300 0.149 0.000 1.075 273 V CB -0.197 31.796 31.823 0.283 0.000 0.954 273 V HN 0.598 nan 8.190 nan 0.000 0.444 274 I N 2.634 123.295 120.570 0.152 0.000 2.742 274 I HA 0.270 4.438 4.170 -0.003 0.000 0.287 274 I C 1.334 177.539 176.117 0.146 0.000 1.186 274 I CA 0.624 62.016 61.300 0.152 0.000 1.417 274 I CB -0.855 37.203 38.000 0.097 0.000 1.377 274 I HN 0.529 nan 8.210 nan 0.000 0.556 275 R N 3.037 123.649 120.500 0.185 0.000 3.656 275 R HA -0.208 4.131 4.340 -0.003 0.000 0.297 275 R C -0.346 176.022 176.300 0.112 0.000 1.166 275 R CA 0.276 56.466 56.100 0.150 0.000 0.799 275 R CB -1.987 28.378 30.300 0.109 0.000 1.285 275 R HN 0.526 nan 8.270 nan 0.000 0.477 276 L N 1.000 122.298 121.223 0.124 0.000 2.426 276 L HA 0.316 4.655 4.340 -0.003 0.000 0.271 276 L C 0.431 177.205 176.870 -0.160 0.000 1.169 276 L CA 1.023 55.829 54.840 -0.057 0.000 0.836 276 L CB 1.350 43.266 42.059 -0.237 0.000 1.112 276 L HN 0.260 nan 8.230 nan 0.000 0.465 277 S N 3.117 118.700 115.700 -0.197 0.000 2.550 277 S HA 0.610 5.079 4.470 -0.003 0.000 0.270 277 S C -2.452 171.861 174.600 -0.478 0.000 1.145 277 S CA -0.996 56.983 58.200 -0.368 0.000 0.852 277 S CB 1.812 64.766 63.200 -0.411 0.000 1.119 277 S HN 0.426 nan 8.310 nan 0.000 0.465 278 P HA -0.050 nan 4.420 nan 0.000 0.215 278 P C 0.839 177.945 177.300 -0.323 0.000 1.153 278 P CA 1.386 64.079 63.100 -0.678 0.000 0.853 278 P CB 0.039 31.289 31.700 -0.749 0.000 0.788 279 E N -1.537 118.482 120.200 -0.303 0.000 2.077 279 E HA -0.188 4.160 4.350 -0.003 0.000 0.193 279 E C 1.948 178.571 176.600 0.037 0.000 0.989 279 E CA 1.390 57.703 56.400 -0.146 0.000 0.800 279 E CB -0.975 28.619 29.700 -0.176 0.000 0.746 279 E HN 0.548 nan 8.360 nan 0.000 0.452 280 H N -0.609 118.387 119.070 -0.123 0.000 2.399 280 H HA 0.183 4.737 4.556 -0.003 0.000 0.300 280 H C 0.351 175.626 175.328 -0.088 0.000 1.048 280 H CA 0.501 56.493 56.048 -0.093 0.000 1.370 280 H CB 0.440 30.156 29.762 -0.076 0.000 1.428 280 H HN -0.030 nan 8.280 nan 0.000 0.534 281 E N 1.019 121.234 120.200 0.025 0.000 3.588 281 E HA 0.082 4.431 4.350 -0.003 0.000 0.213 281 E C -1.854 174.730 176.600 -0.026 0.000 1.168 281 E CA -1.562 54.833 56.400 -0.008 0.000 1.254 281 E CB 1.024 30.721 29.700 -0.006 0.000 1.302 281 E HN 0.329 nan 8.360 nan 0.000 0.429 282 P HA -0.239 nan 4.420 nan 0.000 0.215 282 P C 1.203 178.491 177.300 -0.019 0.000 1.157 282 P CA 1.227 64.297 63.100 -0.049 0.000 0.874 282 P CB 0.424 32.089 31.700 -0.060 0.000 0.790 283 L N -0.976 120.227 121.223 -0.034 0.000 1.994 283 L HA -0.129 4.209 4.340 -0.003 0.000 0.208 283 L C 2.915 179.736 176.870 -0.082 0.000 1.071 283 L CA 1.532 56.341 54.840 -0.052 0.000 0.745 283 L CB -0.955 41.078 42.059 -0.043 0.000 0.892 283 L HN -0.117 nan 8.230 nan 0.000 0.431 284 I N -1.314 119.228 120.570 -0.047 0.000 2.361 284 I HA -0.329 3.839 4.170 -0.003 0.000 0.251 284 I C 2.574 178.610 176.117 -0.134 0.000 1.133 284 I CA 1.321 62.589 61.300 -0.054 0.000 1.413 284 I CB -0.323 37.698 38.000 0.035 0.000 1.073 284 I HN 0.185 nan 8.210 nan 0.000 0.424 285 Y N 1.795 121.959 120.300 -0.226 0.000 2.200 285 Y HA -0.255 4.294 4.550 -0.003 0.000 0.290 285 Y C 2.612 178.381 175.900 -0.218 0.000 1.137 285 Y CA 1.736 59.657 58.100 -0.298 0.000 1.163 285 Y CB -0.087 38.187 38.460 -0.311 0.000 0.988 285 Y HN -0.031 nan 8.280 nan 0.000 0.518 286 K N -0.126 120.268 120.400 -0.009 0.000 2.097 286 K HA -0.102 4.217 4.320 -0.003 0.000 0.205 286 K C 2.100 178.561 176.600 -0.231 0.000 1.050 286 K CA 1.058 57.302 56.287 -0.071 0.000 0.938 286 K CB -0.279 32.188 32.500 -0.054 0.000 0.718 286 K HN 0.352 nan 8.250 nan 0.000 0.442 287 A N 0.243 122.852 122.820 -0.352 0.000 2.014 287 A HA -0.029 4.289 4.320 -0.003 0.000 0.218 287 A C 1.921 179.214 177.584 -0.485 0.000 1.163 287 A CA 1.444 53.144 52.037 -0.561 0.000 0.652 287 A CB -0.144 18.227 19.000 -1.047 0.000 0.808 287 A HN 0.304 nan 8.150 nan 0.000 0.449 288 S N 0.326 115.809 115.700 -0.362 0.000 2.470 288 S HA 0.027 4.495 4.470 -0.003 0.000 0.225 288 S C 0.840 175.424 174.600 -0.026 0.000 1.006 288 S CA 0.014 58.168 58.200 -0.078 0.000 0.934 288 S CB -0.082 63.089 63.200 -0.048 0.000 0.778 288 S HN 0.576 nan 8.310 nan 0.000 0.517 289 N N 3.071 121.684 118.700 -0.145 0.000 3.131 289 N HA 0.168 4.906 4.740 -0.003 0.000 0.312 289 N C -0.427 175.065 175.510 -0.030 0.000 1.433 289 N CA 0.005 53.033 53.050 -0.036 0.000 1.141 289 N CB 0.355 38.796 38.487 -0.076 0.000 1.431 289 N HN 0.651 nan 8.380 nan 0.000 0.523 290 Q N -1.097 118.699 119.800 -0.008 0.000 2.687 290 Q HA 0.295 4.633 4.340 -0.003 0.000 0.295 290 Q C -1.078 174.998 176.000 0.127 0.000 0.920 290 Q CA -0.869 54.928 55.803 -0.011 0.000 0.766 290 Q CB 0.879 29.515 28.738 -0.170 0.000 1.467 290 Q HN -0.025 nan 8.270 nan 0.000 0.415 291 F N 1.602 121.557 119.950 0.009 0.000 2.602 291 F HA 0.059 4.584 4.527 -0.003 0.000 0.367 291 F C 0.843 176.745 175.800 0.170 0.000 1.126 291 F CA 1.931 59.969 58.000 0.064 0.000 1.321 291 F CB 0.305 39.322 39.000 0.029 0.000 1.094 291 F HN 0.976 nan 8.300 nan 0.000 0.594 292 E N 0.584 120.352 120.200 -0.720 0.000 4.198 292 E HA -0.176 4.173 4.350 -0.003 0.000 0.408 292 E C -0.256 176.237 176.600 -0.179 0.000 0.536 292 E CA 0.550 56.691 56.400 -0.433 0.000 1.476 292 E CB -1.423 28.222 29.700 -0.091 0.000 1.926 292 E HN 0.695 nan 8.360 nan 0.000 0.365 293 A N 1.339 124.145 122.820 -0.023 0.000 2.363 293 A HA 0.604 4.922 4.320 -0.003 0.000 0.270 293 A C 0.045 177.638 177.584 0.015 0.000 1.121 293 A CA -0.036 52.047 52.037 0.077 0.000 0.800 293 A CB 0.265 19.372 19.000 0.178 0.000 1.052 293 A HN 0.213 nan 8.150 nan 0.000 0.493 294 I N 2.681 123.287 120.570 0.061 0.000 2.378 294 I HA 0.250 4.418 4.170 -0.003 0.000 0.291 294 I C -0.648 175.486 176.117 0.027 0.000 0.992 294 I CA -0.192 61.115 61.300 0.011 0.000 1.154 294 I CB 1.510 39.573 38.000 0.104 0.000 1.315 294 I HN 0.472 nan 8.210 nan 0.000 0.448 295 L N 6.644 127.829 121.223 -0.063 0.000 2.264 295 L HA 0.376 4.714 4.340 -0.003 0.000 0.287 295 L C 0.257 177.049 176.870 -0.130 0.000 1.039 295 L CA -0.295 54.521 54.840 -0.041 0.000 0.829 295 L CB 0.834 42.854 42.059 -0.066 0.000 1.211 295 L HN 0.614 nan 8.230 nan 0.000 0.427 296 E N 5.051 125.216 120.200 -0.058 0.000 2.105 296 E HA 0.073 4.422 4.350 -0.003 0.000 0.285 296 E C -0.123 176.465 176.600 -0.019 0.000 1.055 296 E CA -0.106 56.255 56.400 -0.065 0.000 0.843 296 E CB 0.372 30.119 29.700 0.079 0.000 1.067 296 E HN 0.570 nan 8.360 nan 0.000 0.398 297 N N 1.133 119.796 118.700 -0.060 0.000 2.850 297 N HA -0.178 4.561 4.740 -0.003 0.000 0.249 297 N C 0.087 175.565 175.510 -0.053 0.000 1.060 297 N CA 1.051 54.081 53.050 -0.033 0.000 0.825 297 N CB -1.834 36.669 38.487 0.027 0.000 1.132 297 N HN 0.400 nan 8.380 nan 0.000 0.564 298 V N -2.318 117.539 119.914 -0.095 0.000 3.133 298 V HA 0.577 4.695 4.120 -0.003 0.000 0.305 298 V C 1.021 177.016 176.094 -0.165 0.000 1.084 298 V CA -0.608 61.608 62.300 -0.140 0.000 1.089 298 V CB 1.793 33.466 31.823 -0.250 0.000 1.073 298 V HN -0.072 nan 8.190 nan 0.000 0.477 299 V N 3.629 123.436 119.914 -0.178 0.000 2.394 299 V HA 0.537 4.656 4.120 -0.003 0.000 0.282 299 V C 0.044 176.011 176.094 -0.212 0.000 1.031 299 V CA -0.187 62.019 62.300 -0.156 0.000 0.881 299 V CB 1.324 33.082 31.823 -0.109 0.000 0.982 299 V HN 0.891 nan 8.190 nan 0.000 0.451 300 V N 5.802 125.610 119.914 -0.176 0.000 2.656 300 V HA 0.488 4.607 4.120 -0.003 0.000 0.307 300 V C -0.022 176.001 176.094 -0.119 0.000 1.051 300 V CA -0.799 61.394 62.300 -0.178 0.000 0.893 300 V CB 2.037 33.755 31.823 -0.176 0.000 0.999 300 V HN 0.937 nan 8.190 nan 0.000 0.426 301 N N 8.010 126.646 118.700 -0.108 0.000 2.452 301 N HA 0.179 4.918 4.740 -0.003 0.000 0.266 301 N C -1.642 173.831 175.510 -0.062 0.000 1.209 301 N CA -1.063 51.941 53.050 -0.076 0.000 0.929 301 N CB 1.910 40.354 38.487 -0.071 0.000 1.063 301 N HN 0.491 nan 8.380 nan 0.000 0.472 302 P HA -0.132 nan 4.420 nan 0.000 0.218 302 P C 0.599 177.881 177.300 -0.030 0.000 1.148 302 P CA 1.311 64.388 63.100 -0.039 0.000 0.822 302 P CB 0.558 32.239 31.700 -0.032 0.000 0.784 303 E N 0.089 120.271 120.200 -0.030 0.000 2.030 303 E HA -0.053 4.296 4.350 -0.003 0.000 0.189 303 E C 2.226 178.811 176.600 -0.024 0.000 0.974 303 E CA 1.570 57.956 56.400 -0.023 0.000 0.807 303 E CB -0.919 28.767 29.700 -0.023 0.000 0.771 303 E HN 0.332 nan 8.360 nan 0.000 0.451 304 S N 0.328 116.006 115.700 -0.035 0.000 2.489 304 S HA -0.013 4.456 4.470 -0.003 0.000 0.228 304 S C 0.886 175.464 174.600 -0.037 0.000 0.995 304 S CA 0.096 58.270 58.200 -0.042 0.000 0.934 304 S CB 0.097 63.260 63.200 -0.063 0.000 0.771 304 S HN 0.044 nan 8.310 nan 0.000 0.522 305 R N 0.599 121.076 120.500 -0.039 0.000 3.770 305 R HA -0.077 4.261 4.340 -0.003 0.000 0.305 305 R C -0.871 175.403 176.300 -0.045 0.000 1.184 305 R CA 0.585 56.665 56.100 -0.033 0.000 0.823 305 R CB -2.087 28.215 30.300 0.004 0.000 1.285 305 R HN 0.511 nan 8.270 nan 0.000 0.499 306 R N 0.220 120.669 120.500 -0.084 0.000 2.357 306 R HA 0.337 4.676 4.340 -0.003 0.000 0.296 306 R C 0.250 176.443 176.300 -0.178 0.000 1.052 306 R CA -0.631 55.400 56.100 -0.114 0.000 0.988 306 R CB 1.119 31.341 30.300 -0.128 0.000 1.025 306 R HN -0.138 nan 8.270 nan 0.000 0.469 307 V N 4.551 124.298 119.914 -0.278 0.000 2.488 307 V HA 0.027 4.145 4.120 -0.003 0.000 0.277 307 V C 0.471 176.198 176.094 -0.612 0.000 1.046 307 V CA -0.277 61.665 62.300 -0.596 0.000 0.986 307 V CB 1.251 32.362 31.823 -1.187 0.000 0.989 307 V HN 0.469 nan 8.190 nan 0.000 0.475 308 Q N 4.577 124.115 119.800 -0.438 0.000 2.566 308 Q HA 0.148 4.487 4.340 -0.003 0.000 0.221 308 Q C 0.438 176.315 176.000 -0.206 0.000 1.195 308 Q CA -0.059 55.608 55.803 -0.226 0.000 0.967 308 Q CB 0.420 29.084 28.738 -0.124 0.000 1.337 308 Q HN 0.854 nan 8.270 nan 0.000 0.553 309 W N 0.939 122.255 121.300 0.026 0.000 2.387 309 W HA -0.139 4.520 4.660 -0.003 0.000 0.272 309 W C 0.772 177.307 176.519 0.026 0.000 1.224 309 W CA 0.636 58.002 57.345 0.035 0.000 1.210 309 W CB 0.239 29.744 29.460 0.075 0.000 1.125 309 W HN 0.477 nan 8.180 nan 0.000 0.572 310 D N -1.108 119.411 120.400 0.199 0.000 2.333 310 D HA -0.070 4.569 4.640 -0.003 0.000 0.208 310 D C 0.112 176.455 176.300 0.071 0.000 0.984 310 D CA 0.844 54.920 54.000 0.126 0.000 0.873 310 D CB -0.260 40.598 40.800 0.097 0.000 0.935 310 D HN -0.113 nan 8.370 nan 0.000 0.521 311 D N 0.889 121.312 120.400 0.037 0.000 2.338 311 D HA 0.012 4.651 4.640 -0.003 0.000 0.255 311 D C -0.147 176.159 176.300 0.009 0.000 1.237 311 D CA -0.127 53.878 54.000 0.008 0.000 0.883 311 D CB 0.604 41.389 40.800 -0.024 0.000 1.087 311 D HN 0.078 nan 8.370 nan 0.000 0.485 312 D N 0.889 121.298 120.400 0.016 0.000 2.491 312 D HA 0.062 4.701 4.640 -0.003 0.000 0.228 312 D C 1.107 177.409 176.300 0.003 0.000 1.183 312 D CA -0.350 53.659 54.000 0.015 0.000 0.827 312 D CB 0.301 41.117 40.800 0.026 0.000 0.989 312 D HN 0.035 nan 8.370 nan 0.000 0.494 313 S N 0.771 116.467 115.700 -0.006 0.000 2.378 313 S HA -0.262 4.206 4.470 -0.003 0.000 0.229 313 S C 1.689 176.282 174.600 -0.012 0.000 1.052 313 S CA 1.492 59.686 58.200 -0.011 0.000 1.084 313 S CB -0.044 63.144 63.200 -0.019 0.000 0.950 313 S HN 0.436 nan 8.310 nan 0.000 0.440 314 K N -0.367 120.024 120.400 -0.014 0.000 1.980 314 K HA 0.044 4.362 4.320 -0.003 0.000 0.208 314 K C 1.136 177.732 176.600 -0.006 0.000 1.043 314 K CA 1.200 57.480 56.287 -0.012 0.000 0.938 314 K CB -0.242 32.250 32.500 -0.014 0.000 0.724 314 K HN 0.371 nan 8.250 nan 0.000 0.438 315 T N -1.017 113.538 114.554 0.002 0.000 2.821 315 T HA 0.113 4.461 4.350 -0.003 0.000 0.306 315 T C -0.246 174.465 174.700 0.017 0.000 1.313 315 T CA -0.726 61.378 62.100 0.007 0.000 1.012 315 T CB 1.900 70.774 68.868 0.009 0.000 1.298 315 T HN 0.011 nan 8.240 nan 0.000 0.502 316 E N 1.275 121.486 120.200 0.018 0.000 2.285 316 E HA -0.013 4.335 4.350 -0.003 0.000 0.194 316 E C 0.722 177.344 176.600 0.036 0.000 0.997 316 E CA 0.507 56.925 56.400 0.030 0.000 0.845 316 E CB 0.053 29.770 29.700 0.028 0.000 0.782 316 E HN 0.532 nan 8.360 nan 0.000 0.491 317 N N 1.598 120.315 118.700 0.029 0.000 2.623 317 N HA -0.039 4.700 4.740 -0.003 0.000 0.263 317 N C -0.880 174.662 175.510 0.054 0.000 1.218 317 N CA -0.021 53.051 53.050 0.036 0.000 0.949 317 N CB -0.158 38.341 38.487 0.019 0.000 1.270 317 N HN -0.091 nan 8.380 nan 0.000 0.507 318 T N -1.263 113.322 114.554 0.051 0.000 2.930 318 T HA 0.272 4.621 4.350 -0.003 0.000 0.306 318 T C 0.366 175.084 174.700 0.031 0.000 1.045 318 T CA -0.347 61.786 62.100 0.056 0.000 1.134 318 T CB 1.122 70.032 68.868 0.069 0.000 0.961 318 T HN 0.069 nan 8.240 nan 0.000 0.545 319 R N 1.159 121.665 120.500 0.009 0.000 2.912 319 R HA 0.729 5.068 4.340 -0.003 0.000 0.262 319 R C -0.725 175.575 176.300 -0.001 0.000 1.057 319 R CA -0.910 55.119 56.100 -0.119 0.000 0.981 319 R CB 2.166 32.219 30.300 -0.412 0.000 1.201 319 R HN 0.705 nan 8.270 nan 0.000 0.484 320 S N -0.202 115.485 115.700 -0.022 0.000 2.538 320 S HA 0.399 4.867 4.470 -0.003 0.000 0.288 320 S C -1.253 173.389 174.600 0.070 0.000 1.108 320 S CA -0.428 57.846 58.200 0.123 0.000 0.971 320 S CB 1.331 64.676 63.200 0.241 0.000 1.041 320 S HN 0.505 nan 8.310 nan 0.000 0.483 321 S N 3.971 119.757 115.700 0.144 0.000 2.552 321 S HA 0.809 5.278 4.470 -0.003 0.000 0.314 321 S C -1.536 173.024 174.600 -0.067 0.000 1.099 321 S CA -0.520 57.700 58.200 0.032 0.000 1.070 321 S CB 0.330 63.705 63.200 0.291 0.000 0.998 321 S HN 0.758 nan 8.310 nan 0.000 0.474 322 Y N 1.908 122.152 120.300 -0.094 0.000 2.581 322 Y HA 0.735 5.284 4.550 -0.002 0.000 0.337 322 Y C -3.188 172.526 175.900 -0.310 0.000 1.108 322 Y CA -2.748 55.208 58.100 -0.241 0.000 1.033 322 Y CB 0.411 38.800 38.460 -0.119 0.000 1.318 322 Y HN 0.364 nan 8.280 nan 0.000 0.459 323 P HA 0.106 nan 4.420 nan 0.000 0.272 323 P C 0.779 178.088 177.300 0.014 0.000 1.223 323 P CA -0.173 62.811 63.100 -0.194 0.000 0.784 323 P CB 1.910 33.467 31.700 -0.239 0.000 0.923 324 I N 2.878 123.458 120.570 0.016 0.000 2.335 324 I HA -0.271 3.898 4.170 -0.003 0.000 0.251 324 I C 2.330 178.515 176.117 0.112 0.000 1.129 324 I CA 1.739 63.090 61.300 0.084 0.000 1.402 324 I CB -0.931 37.084 38.000 0.025 0.000 1.069 324 I HN 0.457 nan 8.210 nan 0.000 0.424 325 A N -1.044 121.832 122.820 0.093 0.000 2.084 325 A HA -0.281 4.038 4.320 -0.003 0.000 0.221 325 A C 2.150 179.850 177.584 0.194 0.000 1.161 325 A CA 1.813 53.923 52.037 0.121 0.000 0.653 325 A CB -1.238 17.833 19.000 0.118 0.000 0.802 325 A HN 0.667 nan 8.150 nan 0.000 0.457 326 H N -1.673 117.406 119.070 0.015 0.000 2.524 326 H HA 0.168 4.722 4.556 -0.002 0.000 0.282 326 H C 0.075 175.338 175.328 -0.107 0.000 1.016 326 H CA 0.015 56.027 56.048 -0.061 0.000 1.270 326 H CB 0.087 29.786 29.762 -0.105 0.000 1.394 326 H HN 0.289 nan 8.280 nan 0.000 0.568 327 L N 1.627 122.893 121.223 0.071 0.000 2.275 327 L HA 0.035 4.373 4.340 -0.003 0.000 0.288 327 L C 0.956 177.826 176.870 -0.001 0.000 1.046 327 L CA -0.133 54.714 54.840 0.012 0.000 0.805 327 L CB 1.673 43.778 42.059 0.076 0.000 1.193 327 L HN 0.280 nan 8.230 nan 0.000 0.426 328 E N 2.084 122.266 120.200 -0.029 0.000 2.007 328 E HA -0.191 4.157 4.350 -0.003 0.000 0.194 328 E C 0.535 177.127 176.600 -0.013 0.000 0.999 328 E CA 1.104 57.489 56.400 -0.026 0.000 0.811 328 E CB 0.024 29.701 29.700 -0.038 0.000 0.762 328 E HN 0.459 nan 8.360 nan 0.000 0.450 329 N N 1.216 119.907 118.700 -0.015 0.000 3.245 329 N HA 0.037 4.775 4.740 -0.003 0.000 0.296 329 N C -1.079 174.430 175.510 -0.002 0.000 1.254 329 N CA -0.164 52.879 53.050 -0.011 0.000 1.190 329 N CB 0.095 38.570 38.487 -0.019 0.000 1.460 329 N HN 0.018 nan 8.380 nan 0.000 0.538 330 V N -1.439 118.478 119.914 0.006 0.000 3.102 330 V HA 0.610 4.729 4.120 -0.003 0.000 0.312 330 V C -0.097 176.006 176.094 0.015 0.000 1.135 330 V CA -1.032 61.277 62.300 0.015 0.000 1.022 330 V CB 1.687 33.526 31.823 0.027 0.000 1.056 330 V HN -0.142 nan 8.190 nan 0.000 0.436 331 V N 2.285 122.212 119.914 0.021 0.000 2.356 331 V HA 0.242 4.360 4.120 -0.003 0.000 0.258 331 V C 1.415 177.521 176.094 0.020 0.000 1.065 331 V CA 0.137 62.449 62.300 0.020 0.000 0.935 331 V CB -0.069 31.769 31.823 0.025 0.000 1.061 331 V HN 1.083 nan 8.190 nan 0.000 0.484 332 E N 3.365 123.571 120.200 0.011 0.000 2.114 332 E HA -0.225 4.124 4.350 -0.003 0.000 0.199 332 E C 2.294 178.889 176.600 -0.008 0.000 1.008 332 E CA 2.062 58.463 56.400 0.002 0.000 0.810 332 E CB -0.072 29.627 29.700 -0.002 0.000 0.739 332 E HN 0.898 nan 8.360 nan 0.000 0.456 333 S N -1.753 113.946 115.700 -0.002 0.000 2.481 333 S HA 0.046 4.515 4.470 -0.003 0.000 0.231 333 S C 1.759 176.368 174.600 0.016 0.000 0.996 333 S CA 0.741 58.935 58.200 -0.010 0.000 0.942 333 S CB -0.127 63.076 63.200 0.005 0.000 0.768 333 S HN 0.446 nan 8.310 nan 0.000 0.520 334 G N 0.137 108.964 108.800 0.046 0.000 2.153 334 G HA2 -0.212 3.746 3.960 -0.003 0.000 0.252 334 G HA3 -0.212 3.746 3.960 -0.003 0.000 0.252 334 G C -0.035 174.960 174.900 0.159 0.000 0.994 334 G CA 0.287 45.444 45.100 0.095 0.000 0.698 334 G HN 0.851 nan 8.290 nan 0.000 0.521 335 V N -0.614 119.373 119.914 0.121 0.000 2.789 335 V HA 0.967 5.085 4.120 -0.003 0.000 0.311 335 V C 0.302 176.444 176.094 0.079 0.000 1.073 335 V CA -0.029 62.359 62.300 0.147 0.000 0.921 335 V CB 1.750 33.651 31.823 0.130 0.000 1.009 335 V HN 1.520 nan 8.190 nan 0.000 0.426 336 A N 2.395 125.250 122.820 0.058 0.000 2.529 336 A HA 0.964 5.282 4.320 -0.003 0.000 0.296 336 A C 0.135 177.682 177.584 -0.061 0.000 1.205 336 A CA -0.050 51.984 52.037 -0.006 0.000 0.671 336 A CB 1.011 19.994 19.000 -0.028 0.000 1.301 336 A HN 1.235 nan 8.150 nan 0.000 0.450 337 G N -1.235 107.505 108.800 -0.100 0.000 2.486 337 G HA2 0.477 4.435 3.960 -0.003 0.000 0.272 337 G HA3 0.477 4.435 3.960 -0.003 0.000 0.272 337 G C -0.203 174.523 174.900 -0.290 0.000 1.426 337 G CA -0.276 44.707 45.100 -0.194 0.000 1.058 337 G HN 0.841 nan 8.290 nan 0.000 0.531 338 H N 0.277 119.297 119.070 -0.082 0.000 2.707 338 H HA 0.288 4.843 4.556 -0.003 0.000 0.359 338 H C -2.002 173.152 175.328 -0.290 0.000 1.113 338 H CA -0.761 55.175 56.048 -0.188 0.000 1.422 338 H CB 0.624 30.323 29.762 -0.104 0.000 1.443 338 H HN 0.149 nan 8.280 nan 0.000 0.591 339 P HA 0.018 nan 4.420 nan 0.000 0.267 339 P C 0.275 177.439 177.300 -0.227 0.000 1.209 339 P CA -0.105 62.714 63.100 -0.467 0.000 0.763 339 P CB 0.828 32.006 31.700 -0.870 0.000 0.816 340 R N 2.358 122.755 120.500 -0.171 0.000 2.237 340 R HA 0.364 4.703 4.340 -0.003 0.000 0.195 340 R C 0.473 176.689 176.300 -0.140 0.000 0.956 340 R CA 0.212 56.256 56.100 -0.094 0.000 1.029 340 R CB -0.031 30.241 30.300 -0.047 0.000 0.972 340 R HN 0.468 nan 8.270 nan 0.000 0.493 341 A N 0.869 123.543 122.820 -0.244 0.000 2.455 341 A HA 0.693 5.011 4.320 -0.003 0.000 0.300 341 A C -0.912 176.295 177.584 -0.629 0.000 1.040 341 A CA -0.591 51.207 52.037 -0.397 0.000 0.697 341 A CB 1.451 20.246 19.000 -0.342 0.000 1.265 341 A HN 0.064 nan 8.150 nan 0.000 0.407 342 I N 1.561 121.695 120.570 -0.726 0.000 2.465 342 I HA 0.509 4.677 4.170 -0.003 0.000 0.291 342 I C -1.445 174.162 176.117 -0.850 0.000 1.014 342 I CA -0.416 60.514 61.300 -0.616 0.000 1.093 342 I CB 1.899 39.707 38.000 -0.321 0.000 1.267 342 I HN 0.564 nan 8.210 nan 0.000 0.431 343 F N 5.386 125.224 119.950 -0.187 0.000 2.477 343 F HA 0.461 4.986 4.527 -0.002 0.000 0.335 343 F C -0.472 175.410 175.800 0.137 0.000 1.130 343 F CA -0.592 57.353 58.000 -0.091 0.000 0.948 343 F CB 1.179 40.144 39.000 -0.058 0.000 1.154 343 F HN 0.155 nan 8.300 nan 0.000 0.439 344 F N 4.495 124.535 119.950 0.149 0.000 2.350 344 F HA 0.375 4.900 4.527 -0.003 0.000 0.365 344 F C 0.090 175.815 175.800 -0.125 0.000 1.122 344 F CA -1.444 56.494 58.000 -0.104 0.000 1.139 344 F CB 0.387 39.420 39.000 0.056 0.000 1.220 344 F HN 0.204 nan 8.300 nan 0.000 0.499 345 L N 2.754 123.954 121.223 -0.039 0.000 2.331 345 L HA 0.347 4.685 4.340 -0.003 0.000 0.278 345 L C 0.527 177.401 176.870 0.007 0.000 1.106 345 L CA -0.181 54.655 54.840 -0.005 0.000 0.824 345 L CB 1.058 43.115 42.059 -0.004 0.000 1.142 345 L HN 0.522 nan 8.230 nan 0.000 0.443 346 S N 2.451 118.198 115.700 0.079 0.000 2.707 346 S HA 0.609 5.078 4.470 -0.003 0.000 0.303 346 S C -0.214 174.421 174.600 0.058 0.000 1.132 346 S CA -0.609 57.670 58.200 0.132 0.000 1.046 346 S CB 1.404 64.754 63.200 0.250 0.000 1.004 346 S HN 0.654 nan 8.310 nan 0.000 0.483 347 A N 4.120 126.961 122.820 0.034 0.000 2.922 347 A HA 0.319 4.637 4.320 -0.003 0.000 0.298 347 A C 0.003 177.711 177.584 0.205 0.000 1.588 347 A CA -0.428 51.650 52.037 0.070 0.000 1.288 347 A CB -0.452 18.605 19.000 0.096 0.000 1.130 347 A HN 0.779 nan 8.150 nan 0.000 0.557 348 D N 2.815 123.377 120.400 0.271 0.000 2.348 348 D HA 0.327 4.966 4.640 -0.003 0.000 0.259 348 D C 1.122 177.813 176.300 0.652 0.000 1.296 348 D CA 0.625 54.890 54.000 0.442 0.000 0.931 348 D CB 0.818 41.917 40.800 0.497 0.000 1.067 348 D HN 0.409 nan 8.370 nan 0.000 0.503 349 A N 3.829 126.960 122.820 0.519 0.000 2.206 349 A HA -0.102 4.216 4.320 -0.003 0.000 0.211 349 A C 1.146 178.881 177.584 0.252 0.000 1.158 349 A CA 0.562 52.746 52.037 0.245 0.000 0.761 349 A CB -0.418 18.546 19.000 -0.061 0.000 0.801 349 A HN 0.653 nan 8.150 nan 0.000 0.473 350 Y N -0.646 119.858 120.300 0.341 0.000 2.517 350 Y HA 0.283 4.832 4.550 -0.003 0.000 0.281 350 Y C 1.894 178.064 175.900 0.450 0.000 1.125 350 Y CA 0.075 58.383 58.100 0.348 0.000 1.283 350 Y CB -0.138 38.530 38.460 0.347 0.000 1.042 350 Y HN 0.425 nan 8.280 nan 0.000 0.547 351 G N 0.094 109.253 108.800 0.599 0.000 2.273 351 G HA2 -0.256 3.703 3.960 -0.003 0.000 0.280 351 G HA3 -0.256 3.703 3.960 -0.003 0.000 0.280 351 G C 0.715 176.070 174.900 0.758 0.000 1.047 351 G CA 0.597 46.060 45.100 0.605 0.000 0.869 351 G HN 0.289 nan 8.290 nan 0.000 0.502 352 V N -0.153 120.094 119.914 0.556 0.000 2.788 352 V HA 0.281 4.400 4.120 -0.003 0.000 0.241 352 V C 1.895 178.220 176.094 0.386 0.000 1.083 352 V CA 0.772 63.300 62.300 0.380 0.000 1.103 352 V CB -0.093 31.833 31.823 0.173 0.000 0.800 352 V HN 0.434 nan 8.190 nan 0.000 0.476 353 L N 3.295 124.684 121.223 0.278 0.000 2.514 353 L HA 0.145 4.483 4.340 -0.003 0.000 0.280 353 L C -1.869 175.087 176.870 0.144 0.000 1.223 353 L CA -1.044 53.896 54.840 0.166 0.000 0.864 353 L CB -0.087 42.032 42.059 0.100 0.000 1.118 353 L HN 0.168 nan 8.230 nan 0.000 0.494 354 P HA 0.165 nan 4.420 nan 0.000 0.274 354 P C -2.331 174.873 177.300 -0.160 0.000 1.246 354 P CA -1.633 61.484 63.100 0.029 0.000 0.795 354 P CB 0.272 32.013 31.700 0.069 0.000 1.006 355 P HA -0.004 nan 4.420 nan 0.000 0.217 355 P C 0.537 177.641 177.300 -0.326 0.000 1.148 355 P CA 1.613 64.390 63.100 -0.537 0.000 0.828 355 P CB 0.183 31.700 31.700 -0.305 0.000 0.783 356 I N -3.308 117.151 120.570 -0.186 0.000 2.828 356 I HA 0.564 4.732 4.170 -0.003 0.000 0.295 356 I C -2.029 174.026 176.117 -0.105 0.000 1.459 356 I CA -1.242 59.981 61.300 -0.128 0.000 1.015 356 I CB 1.873 39.822 38.000 -0.086 0.000 1.345 356 I HN -0.257 nan 8.210 nan 0.000 0.449 357 A N 5.262 127.993 122.820 -0.149 0.000 2.455 357 A HA 0.797 5.116 4.320 -0.003 0.000 0.300 357 A C -1.201 176.353 177.584 -0.051 0.000 1.040 357 A CA -0.636 51.265 52.037 -0.227 0.000 0.697 357 A CB 1.764 20.124 19.000 -1.067 0.000 1.265 357 A HN 0.694 nan 8.150 nan 0.000 0.407 358 R N 1.506 122.033 120.500 0.044 0.000 2.340 358 R HA 0.623 4.961 4.340 -0.003 0.000 0.300 358 R C -1.149 175.046 176.300 -0.175 0.000 1.069 358 R CA 0.061 56.051 56.100 -0.183 0.000 0.984 358 R CB 0.090 30.276 30.300 -0.190 0.000 1.003 358 R HN 0.629 nan 8.270 nan 0.000 0.459 359 L N 3.230 124.295 121.223 -0.263 0.000 2.334 359 L HA 0.498 4.837 4.340 -0.003 0.000 0.273 359 L C 0.170 176.977 176.870 -0.104 0.000 1.013 359 L CA -1.029 53.759 54.840 -0.086 0.000 0.816 359 L CB 2.006 44.052 42.059 -0.023 0.000 1.278 359 L HN 0.857 nan 8.230 nan 0.000 0.431 360 S N 1.044 116.738 115.700 -0.010 0.000 2.669 360 S HA 0.409 4.877 4.470 -0.003 0.000 0.270 360 S C -2.066 172.535 174.600 0.002 0.000 1.225 360 S CA -1.169 57.012 58.200 -0.031 0.000 0.991 360 S CB 1.479 64.673 63.200 -0.010 0.000 0.987 360 S HN 0.377 nan 8.310 nan 0.000 0.552 361 P HA -0.137 nan 4.420 nan 0.000 0.215 361 P C 0.983 178.312 177.300 0.048 0.000 1.157 361 P CA 1.538 64.638 63.100 -0.001 0.000 0.874 361 P CB -0.060 31.623 31.700 -0.028 0.000 0.790 362 E N -0.348 119.879 120.200 0.044 0.000 2.106 362 E HA -0.172 4.176 4.350 -0.003 0.000 0.192 362 E C 1.946 178.625 176.600 0.131 0.000 0.984 362 E CA 1.122 57.562 56.400 0.067 0.000 0.806 362 E CB -0.821 28.894 29.700 0.025 0.000 0.750 362 E HN 0.416 nan 8.360 nan 0.000 0.458 363 E N 0.513 120.805 120.200 0.153 0.000 2.072 363 E HA -0.146 4.203 4.350 -0.003 0.000 0.191 363 E C 2.100 178.995 176.600 0.493 0.000 0.985 363 E CA 0.881 57.459 56.400 0.296 0.000 0.801 363 E CB -0.179 29.715 29.700 0.324 0.000 0.750 363 E HN 0.299 nan 8.360 nan 0.000 0.452 364 A N 1.053 124.091 122.820 0.365 0.000 1.908 364 A HA -0.228 4.091 4.320 -0.003 0.000 0.218 364 A C 2.146 180.057 177.584 0.545 0.000 1.181 364 A CA 1.498 53.825 52.037 0.483 0.000 0.627 364 A CB -0.449 18.684 19.000 0.222 0.000 0.818 364 A HN 0.161 nan 8.150 nan 0.000 0.445 365 M N -2.544 117.261 119.600 0.342 0.000 2.132 365 M HA -0.111 4.367 4.480 -0.003 0.000 0.263 365 M C 2.254 178.756 176.300 0.337 0.000 1.065 365 M CA 1.929 57.416 55.300 0.311 0.000 1.122 365 M CB -0.426 32.294 32.600 0.199 0.000 1.365 365 M HN 0.633 nan 8.290 nan 0.000 0.411 366 Y N -0.141 120.251 120.300 0.153 0.000 2.145 366 Y HA -0.292 4.257 4.550 -0.003 0.000 0.286 366 Y C 1.838 177.752 175.900 0.023 0.000 1.145 366 Y CA 1.804 59.898 58.100 -0.009 0.000 1.148 366 Y CB -0.361 37.897 38.460 -0.336 0.000 0.981 366 Y HN 0.119 nan 8.280 nan 0.000 0.507 367 Y N -1.676 118.899 120.300 0.460 0.000 2.395 367 Y HA -0.124 4.424 4.550 -0.002 0.000 0.293 367 Y C 2.133 178.115 175.900 0.137 0.000 1.123 367 Y CA 1.095 59.446 58.100 0.419 0.000 1.227 367 Y CB -0.768 38.063 38.460 0.618 0.000 1.012 367 Y HN 0.268 nan 8.280 nan 0.000 0.552 368 F N -0.102 119.879 119.950 0.052 0.000 2.146 368 F HA -0.184 4.342 4.527 -0.003 0.000 0.298 368 F C 1.912 177.525 175.800 -0.311 0.000 1.096 368 F CA 1.331 59.142 58.000 -0.313 0.000 1.275 368 F CB -0.563 38.334 39.000 -0.172 0.000 1.008 368 F HN -0.043 nan 8.300 nan 0.000 0.480 369 L N -0.833 120.236 121.223 -0.256 0.000 2.027 369 L HA -0.223 4.116 4.340 -0.003 0.000 0.206 369 L C 2.524 179.022 176.870 -0.620 0.000 1.074 369 L CA 1.565 56.123 54.840 -0.471 0.000 0.745 369 L CB -0.764 41.161 42.059 -0.222 0.000 0.898 369 L HN 0.079 nan 8.230 nan 0.000 0.433 370 S N -0.196 115.276 115.700 -0.379 0.000 2.368 370 S HA -0.112 4.356 4.470 -0.003 0.000 0.225 370 S C 1.443 175.896 174.600 -0.245 0.000 1.030 370 S CA 0.921 59.000 58.200 -0.202 0.000 0.999 370 S CB -0.597 62.675 63.200 0.120 0.000 0.844 370 S HN 0.655 nan 8.310 nan 0.000 0.459 371 G N 1.163 109.599 108.800 -0.607 0.000 2.356 371 G HA2 -0.325 3.633 3.960 -0.003 0.000 0.296 371 G HA3 -0.325 3.633 3.960 -0.003 0.000 0.296 371 G C -0.117 174.447 174.900 -0.559 0.000 1.022 371 G CA 0.403 44.759 45.100 -1.239 0.000 0.961 371 G HN 0.584 nan 8.290 nan 0.000 0.510 372 Y N 0.851 120.984 120.300 -0.279 0.000 2.544 372 Y HA 0.507 5.056 4.550 -0.003 0.000 0.330 372 Y C 0.834 176.695 175.900 -0.065 0.000 1.136 372 Y CA 1.097 58.959 58.100 -0.397 0.000 1.417 372 Y CB 0.960 39.209 38.460 -0.351 0.000 1.229 372 Y HN 0.409 nan 8.280 nan 0.000 0.532 373 T N 3.183 117.176 114.554 -0.935 0.000 2.640 373 T HA 0.777 5.125 4.350 -0.003 0.000 0.268 373 T C -1.918 172.472 174.700 -0.518 0.000 1.406 373 T CA -0.008 61.755 62.100 -0.561 0.000 1.078 373 T CB 0.172 69.011 68.868 -0.049 0.000 1.923 373 T HN 1.035 nan 8.240 nan 0.000 0.431 374 A N 0.737 123.454 122.820 -0.173 0.000 2.594 374 A HA 0.742 5.061 4.320 -0.003 0.000 0.295 374 A C -1.362 176.221 177.584 -0.002 0.000 1.071 374 A CA -0.773 51.216 52.037 -0.080 0.000 0.685 374 A CB 1.317 20.325 19.000 0.013 0.000 1.285 374 A HN 0.701 nan 8.150 nan 0.000 0.405 375 R N 1.823 122.318 120.500 -0.008 0.000 2.272 375 R HA 0.375 4.713 4.340 -0.003 0.000 0.334 375 R C -0.143 176.167 176.300 0.018 0.000 1.117 375 R CA -0.273 55.837 56.100 0.016 0.000 0.966 375 R CB 0.050 30.354 30.300 0.007 0.000 1.049 375 R HN 0.439 nan 8.270 nan 0.000 0.477 385 E N 1.657 121.806 120.200 -0.084 0.000 2.366 385 E HA 0.559 4.907 4.350 -0.003 0.000 0.278 385 E C -3.097 173.299 176.600 -0.340 0.000 0.923 385 E CA -2.285 53.973 56.400 -0.236 0.000 0.761 385 E CB 2.801 32.401 29.700 -0.168 0.000 1.231 385 E HN 0.202 nan 8.360 nan 0.000 0.443 386 P HA 0.026 nan 4.420 nan 0.000 0.264 386 P C -0.986 176.113 177.300 -0.336 0.000 1.183 386 P CA 0.372 63.184 63.100 -0.480 0.000 0.763 386 P CB 0.469 31.623 31.700 -0.910 0.000 0.807 387 R N 2.057 122.462 120.500 -0.159 0.000 2.483 387 R HA 0.586 4.924 4.340 -0.003 0.000 0.303 387 R C -0.590 175.692 176.300 -0.031 0.000 0.987 387 R CA -0.799 55.252 56.100 -0.081 0.000 0.881 387 R CB 1.737 32.010 30.300 -0.046 0.000 1.177 387 R HN 0.542 nan 8.270 nan 0.000 0.451 388 A N 2.308 125.152 122.820 0.040 0.000 2.540 388 A HA 0.273 4.591 4.320 -0.003 0.000 0.239 388 A C 0.089 177.663 177.584 -0.017 0.000 1.061 388 A CA 0.688 52.761 52.037 0.059 0.000 0.758 388 A CB 0.676 19.910 19.000 0.389 0.000 0.991 388 A HN 0.612 nan 8.150 nan 0.000 0.502 389 T N 1.046 115.473 114.554 -0.213 0.000 2.853 389 T HA 0.585 4.934 4.350 -0.003 0.000 0.311 389 T C -1.660 172.817 174.700 -0.372 0.000 1.307 389 T CA -0.414 61.598 62.100 -0.146 0.000 1.019 389 T CB 0.455 69.289 68.868 -0.057 0.000 1.264 389 T HN 0.406 nan 8.240 nan 0.000 0.497 390 F N 2.387 122.319 119.950 -0.030 0.000 2.403 390 F HA 0.591 5.116 4.527 -0.002 0.000 0.355 390 F C 0.567 176.296 175.800 -0.119 0.000 1.119 390 F CA -0.611 57.334 58.000 -0.092 0.000 1.007 390 F CB 2.046 40.999 39.000 -0.079 0.000 1.194 390 F HN 0.405 nan 8.300 nan 0.000 0.443 391 S N 3.363 119.012 115.700 -0.085 0.000 2.622 391 S HA 0.681 5.149 4.470 -0.003 0.000 0.283 391 S C -0.121 174.300 174.600 -0.299 0.000 1.197 391 S CA -0.661 57.474 58.200 -0.108 0.000 1.146 391 S CB 0.147 63.318 63.200 -0.048 0.000 1.007 391 S HN 0.792 nan 8.310 nan 0.000 0.478 392 A N 2.675 125.296 122.820 -0.331 0.000 2.600 392 A HA 0.159 4.477 4.320 -0.003 0.000 0.244 392 A C 1.485 178.716 177.584 -0.588 0.000 1.016 392 A CA 0.729 52.419 52.037 -0.579 0.000 0.778 392 A CB -1.306 17.335 19.000 -0.599 0.000 0.920 392 A HN 1.806 nan 8.150 nan 0.000 0.513 393 C N 0.385 119.110 119.300 -0.958 0.000 4.320 393 C HA -0.236 4.222 4.460 -0.003 0.000 0.281 393 C C 0.768 175.567 174.990 -0.318 0.000 1.432 393 C CA 0.687 58.979 59.018 -1.209 0.000 1.884 393 C CB -3.236 24.057 27.740 -0.746 0.000 1.378 393 C HN 1.734 nan 8.230 nan 0.000 0.771 394 F N -1.833 117.987 119.950 -0.217 0.000 3.093 394 F HA -0.102 4.423 4.527 -0.002 0.000 0.287 394 F C 1.093 177.101 175.800 0.347 0.000 0.882 394 F CA 1.692 59.743 58.000 0.086 0.000 1.063 394 F CB -1.556 37.558 39.000 0.191 0.000 1.097 394 F HN 0.781 nan 8.300 nan 0.000 0.604 395 G N -1.803 107.164 108.800 0.279 0.000 5.609 395 G HA2 0.495 4.454 3.960 -0.003 0.000 0.195 395 G HA3 0.495 4.454 3.960 -0.003 0.000 0.195 395 G C 0.769 175.649 174.900 -0.034 0.000 0.749 395 G CA 0.118 45.399 45.100 0.303 0.000 0.662 395 G HN 0.645 nan 8.290 nan 0.000 0.288 396 A N 1.665 124.431 122.820 -0.089 0.000 1.903 396 A HA -0.020 4.298 4.320 -0.003 0.000 0.219 396 A C 0.505 177.977 177.584 -0.187 0.000 1.191 396 A CA 2.285 54.298 52.037 -0.041 0.000 0.638 396 A CB -0.990 18.040 19.000 0.050 0.000 0.823 396 A HN 0.361 nan 8.150 nan 0.000 0.451 397 P HA -0.108 nan 4.420 nan 0.000 0.221 397 P C 0.345 177.182 177.300 -0.771 0.000 1.145 397 P CA 0.931 63.573 63.100 -0.762 0.000 0.795 397 P CB -0.128 30.937 31.700 -1.058 0.000 0.775 398 F N -2.273 117.625 119.950 -0.087 0.000 2.661 398 F HA 0.254 4.779 4.527 -0.002 0.000 0.306 398 F C 0.708 176.372 175.800 -0.227 0.000 1.094 398 F CA -0.575 57.315 58.000 -0.182 0.000 1.254 398 F CB -0.631 38.193 39.000 -0.295 0.000 1.040 398 F HN -0.264 nan 8.300 nan 0.000 0.562 399 L N 4.247 125.444 121.223 -0.044 0.000 2.261 399 L HA 0.266 4.604 4.340 -0.003 0.000 0.289 399 L C -1.320 175.651 176.870 0.169 0.000 1.059 399 L CA -1.413 53.430 54.840 0.005 0.000 0.816 399 L CB 1.037 43.092 42.059 -0.007 0.000 1.191 399 L HN -0.173 nan 8.230 nan 0.000 0.431 400 P HA -0.019 nan 4.420 nan 0.000 0.226 400 P C 0.508 177.857 177.300 0.081 0.000 1.161 400 P CA 0.878 64.036 63.100 0.097 0.000 0.804 400 P CB 0.659 32.430 31.700 0.118 0.000 0.829 401 M N -0.923 118.810 119.600 0.222 0.000 2.513 401 M HA 0.249 4.728 4.480 -0.003 0.000 0.291 401 M C 0.243 176.616 176.300 0.122 0.000 1.190 401 M CA -0.802 54.581 55.300 0.139 0.000 0.960 401 M CB 0.477 33.100 32.600 0.038 0.000 1.517 401 M HN -0.162 nan 8.290 nan 0.000 0.499 402 H N 0.823 119.879 119.070 -0.024 0.000 2.848 402 H HA 0.052 4.606 4.556 -0.003 0.000 0.341 402 H C -1.719 173.493 175.328 -0.194 0.000 1.060 402 H CA -0.643 55.236 56.048 -0.282 0.000 1.444 402 H CB 0.017 29.639 29.762 -0.233 0.000 1.446 402 H HN 0.310 nan 8.280 nan 0.000 0.583 403 P HA -0.179 nan 4.420 nan 0.000 0.217 403 P C 1.632 178.953 177.300 0.035 0.000 1.148 403 P CA 1.660 64.685 63.100 -0.126 0.000 0.828 403 P CB 0.091 31.531 31.700 -0.433 0.000 0.783 404 G N -0.169 108.610 108.800 -0.035 0.000 2.442 404 G HA2 -0.245 3.714 3.960 -0.003 0.000 0.219 404 G HA3 -0.245 3.714 3.960 -0.003 0.000 0.219 404 G C 1.635 176.530 174.900 -0.007 0.000 1.141 404 G CA 0.718 45.807 45.100 -0.017 0.000 0.763 404 G HN 0.178 nan 8.290 nan 0.000 0.554 405 V N -0.070 119.799 119.914 -0.076 0.000 2.332 405 V HA -0.221 3.898 4.120 -0.003 0.000 0.248 405 V C 2.439 178.428 176.094 -0.174 0.000 1.055 405 V CA 1.696 63.876 62.300 -0.201 0.000 1.038 405 V CB -0.713 30.880 31.823 -0.384 0.000 0.651 405 V HN 0.471 nan 8.190 nan 0.000 0.450 406 Y N 0.490 120.888 120.300 0.164 0.000 2.263 406 Y HA -0.033 4.515 4.550 -0.003 0.000 0.292 406 Y C 2.515 178.641 175.900 0.378 0.000 1.130 406 Y CA 1.122 59.457 58.100 0.391 0.000 1.179 406 Y CB -0.970 37.785 38.460 0.491 0.000 0.998 406 Y HN 0.171 nan 8.280 nan 0.000 0.532 407 A N 0.540 123.634 122.820 0.456 0.000 1.877 407 A HA -0.217 4.102 4.320 -0.003 0.000 0.216 407 A C 2.268 179.891 177.584 0.066 0.000 1.186 407 A CA 1.770 54.020 52.037 0.355 0.000 0.620 407 A CB -0.646 18.517 19.000 0.273 0.000 0.822 407 A HN 0.388 nan 8.150 nan 0.000 0.443 408 R N -1.202 119.311 120.500 0.021 0.000 2.096 408 R HA -0.148 4.191 4.340 -0.003 0.000 0.240 408 R C 2.370 178.578 176.300 -0.153 0.000 1.139 408 R CA 1.924 57.989 56.100 -0.059 0.000 0.952 408 R CB -0.425 29.839 30.300 -0.061 0.000 0.854 408 R HN 0.560 nan 8.270 nan 0.000 0.436 409 M N 0.187 119.681 119.600 -0.176 0.000 2.082 409 M HA -0.223 4.256 4.480 -0.003 0.000 0.258 409 M C 2.347 178.274 176.300 -0.622 0.000 1.069 409 M CA 1.475 56.589 55.300 -0.309 0.000 1.102 409 M CB -0.429 32.074 32.600 -0.161 0.000 1.336 409 M HN 0.170 nan 8.290 nan 0.000 0.404 410 L N 0.590 121.300 121.223 -0.855 0.000 2.013 410 L HA -0.110 4.228 4.340 -0.003 0.000 0.212 410 L C 2.289 178.875 176.870 -0.473 0.000 1.073 410 L CA 2.330 56.600 54.840 -0.950 0.000 0.753 410 L CB -1.244 40.310 42.059 -0.842 0.000 0.890 410 L HN 0.277 nan 8.230 nan 0.000 0.432 411 G N -1.185 107.441 108.800 -0.291 0.000 2.440 411 G HA2 -0.251 3.708 3.960 -0.003 0.000 0.218 411 G HA3 -0.251 3.708 3.960 -0.003 0.000 0.218 411 G C 1.436 176.211 174.900 -0.208 0.000 1.154 411 G CA 0.769 45.762 45.100 -0.178 0.000 0.767 411 G HN 0.449 nan 8.290 nan 0.000 0.552 412 E N 0.672 120.721 120.200 -0.252 0.000 2.106 412 E HA -0.052 4.297 4.350 -0.003 0.000 0.192 412 E C 2.601 179.005 176.600 -0.326 0.000 0.984 412 E CA 0.601 56.851 56.400 -0.249 0.000 0.806 412 E CB -0.175 29.390 29.700 -0.226 0.000 0.750 412 E HN 0.267 nan 8.360 nan 0.000 0.458 413 K N 0.694 120.811 120.400 -0.471 0.000 2.057 413 K HA -0.047 4.272 4.320 -0.003 0.000 0.207 413 K C 2.356 178.764 176.600 -0.321 0.000 1.049 413 K CA 0.613 56.514 56.287 -0.643 0.000 0.931 413 K CB -0.436 31.192 32.500 -1.453 0.000 0.714 413 K HN 0.200 nan 8.250 nan 0.000 0.440 414 I N 0.620 121.067 120.570 -0.204 0.000 2.179 414 I HA -0.288 3.881 4.170 -0.003 0.000 0.242 414 I C 2.822 178.895 176.117 -0.074 0.000 1.088 414 I CA 1.129 62.413 61.300 -0.026 0.000 1.357 414 I CB -0.257 37.718 38.000 -0.042 0.000 1.051 414 I HN 0.188 nan 8.210 nan 0.000 0.409 415 R N 1.330 121.749 120.500 -0.136 0.000 2.083 415 R HA -0.269 4.070 4.340 -0.003 0.000 0.237 415 R C 2.326 178.516 176.300 -0.184 0.000 1.137 415 R CA 2.055 58.072 56.100 -0.138 0.000 0.951 415 R CB -0.136 30.079 30.300 -0.141 0.000 0.851 415 R HN 0.062 nan 8.270 nan 0.000 0.434 416 K N -0.235 119.988 120.400 -0.295 0.000 2.025 416 K HA -0.132 4.186 4.320 -0.003 0.000 0.207 416 K C 1.411 177.674 176.600 -0.562 0.000 1.049 416 K CA 1.786 57.778 56.287 -0.492 0.000 0.933 416 K CB -0.048 32.005 32.500 -0.745 0.000 0.714 416 K HN 0.433 nan 8.250 nan 0.000 0.438 417 H N -0.769 118.258 119.070 -0.071 0.000 2.652 417 H HA 0.371 4.926 4.556 -0.002 0.000 0.274 417 H C 0.001 175.347 175.328 0.030 0.000 1.021 417 H CA 0.434 56.476 56.048 -0.010 0.000 1.187 417 H CB 0.309 30.130 29.762 0.099 0.000 1.505 417 H HN 0.269 nan 8.280 nan 0.000 0.530 418 A N 2.447 125.306 122.820 0.065 0.000 2.364 418 A HA -0.162 4.156 4.320 -0.003 0.000 0.288 418 A C -1.907 175.696 177.584 0.032 0.000 1.433 418 A CA 0.110 52.162 52.037 0.024 0.000 0.757 418 A CB -1.559 17.434 19.000 -0.011 0.000 1.098 418 A HN 0.329 nan 8.150 nan 0.000 0.380 419 P HA 0.404 nan 4.420 nan 0.000 0.278 419 P C -0.379 176.851 177.300 -0.116 0.000 1.258 419 P CA -0.595 62.497 63.100 -0.014 0.000 0.811 419 P CB 0.672 32.372 31.700 0.001 0.000 1.063 420 R N 0.448 120.844 120.500 -0.173 0.000 2.234 420 R HA 0.438 4.776 4.340 -0.003 0.000 0.324 420 R C -0.473 175.531 176.300 -0.493 0.000 1.054 420 R CA -0.750 55.164 56.100 -0.311 0.000 0.912 420 R CB 0.679 30.867 30.300 -0.186 0.000 1.030 420 R HN 0.269 nan 8.270 nan 0.000 0.455 421 V N 4.611 124.156 119.914 -0.615 0.000 2.435 421 V HA 0.379 4.497 4.120 -0.003 0.000 0.290 421 V C -0.752 174.861 176.094 -0.801 0.000 1.030 421 V CA -0.731 61.178 62.300 -0.651 0.000 0.881 421 V CB 0.824 32.348 31.823 -0.498 0.000 0.983 421 V HN 0.589 nan 8.190 nan 0.000 0.445 422 Y N 3.572 123.565 120.300 -0.512 0.000 2.499 422 Y HA 0.668 5.216 4.550 -0.002 0.000 0.347 422 Y C -0.367 175.388 175.900 -0.241 0.000 0.987 422 Y CA -0.992 56.929 58.100 -0.298 0.000 1.044 422 Y CB 2.006 40.397 38.460 -0.115 0.000 1.245 422 Y HN 0.509 nan 8.280 nan 0.000 0.461 423 L N 3.161 124.359 121.223 -0.042 0.000 2.289 423 L HA 0.760 5.098 4.340 -0.003 0.000 0.285 423 L C -1.172 175.678 176.870 -0.034 0.000 1.049 423 L CA -0.556 54.260 54.840 -0.040 0.000 0.804 423 L CB 1.038 42.918 42.059 -0.298 0.000 1.195 423 L HN 0.452 nan 8.230 nan 0.000 0.428 424 V N 4.374 124.310 119.914 0.038 0.000 2.540 424 V HA 0.437 4.555 4.120 -0.003 0.000 0.302 424 V C -0.461 175.592 176.094 -0.068 0.000 1.035 424 V CA -0.850 61.429 62.300 -0.035 0.000 0.873 424 V CB 1.778 33.603 31.823 0.002 0.000 0.992 424 V HN 0.795 nan 8.190 nan 0.000 0.428 425 N N 2.672 121.265 118.700 -0.178 0.000 2.420 425 N HA 0.237 4.975 4.740 -0.003 0.000 0.249 425 N C 0.670 176.043 175.510 -0.228 0.000 1.033 425 N CA 0.001 52.953 53.050 -0.164 0.000 0.944 425 N CB 1.396 39.767 38.487 -0.193 0.000 1.113 425 N HN 0.807 nan 8.380 nan 0.000 0.502 426 T N -0.152 114.323 114.554 -0.133 0.000 3.176 426 T HA 0.368 4.717 4.350 -0.003 0.000 0.263 426 T C 0.973 175.521 174.700 -0.255 0.000 1.021 426 T CA -0.179 61.833 62.100 -0.147 0.000 0.905 426 T CB 0.258 69.059 68.868 -0.111 0.000 1.057 426 T HN 0.332 nan 8.240 nan 0.000 0.558 427 G N 0.370 109.022 108.800 -0.246 0.000 3.223 427 G HA2 0.516 4.474 3.960 -0.003 0.000 0.198 427 G HA3 0.516 4.474 3.960 -0.003 0.000 0.198 427 G C -0.635 173.854 174.900 -0.684 0.000 1.980 427 G CA -0.691 44.092 45.100 -0.530 0.000 0.828 427 G HN 0.421 nan 8.290 nan 0.000 0.680 428 W N -0.967 120.418 121.300 0.141 0.000 2.799 428 W HA 0.659 5.318 4.660 -0.002 0.000 0.349 428 W C -0.439 176.131 176.519 0.084 0.000 1.100 428 W CA -0.306 57.098 57.345 0.100 0.000 1.174 428 W CB 1.756 31.282 29.460 0.110 0.000 1.427 428 W HN 0.444 nan 8.180 nan 0.000 0.547 429 T N -1.323 113.283 114.554 0.086 0.000 2.843 429 T HA 0.479 4.827 4.350 -0.003 0.000 0.302 429 T C 0.286 174.810 174.700 -0.294 0.000 1.232 429 T CA 0.474 62.599 62.100 0.041 0.000 1.009 429 T CB 1.209 70.168 68.868 0.152 0.000 1.254 429 T HN 0.959 nan 8.240 nan 0.000 0.504 430 G N 0.510 109.236 108.800 -0.123 0.000 2.198 430 G HA2 0.298 4.256 3.960 -0.003 0.000 0.260 430 G HA3 0.298 4.256 3.960 -0.003 0.000 0.260 430 G C 0.906 175.272 174.900 -0.891 0.000 1.025 430 G CA 0.643 45.523 45.100 -0.366 0.000 0.769 430 G HN 1.934 nan 8.290 nan 0.000 0.507 431 G N -2.109 105.905 108.800 -1.310 0.000 2.334 431 G HA2 0.477 4.436 3.960 -0.003 0.000 0.566 431 G HA3 0.477 4.436 3.960 -0.003 0.000 0.566 431 G C -2.906 171.728 174.900 -0.443 0.000 1.413 431 G CA -0.073 44.196 45.100 -1.385 0.000 0.993 431 G HN 0.512 nan 8.290 nan 0.000 0.642 432 P HA 0.340 nan 4.420 nan 0.000 0.274 432 P C -0.247 176.966 177.300 -0.144 0.000 1.260 432 P CA -0.464 62.609 63.100 -0.045 0.000 0.793 432 P CB 0.239 31.901 31.700 -0.063 0.000 1.048 433 Y N 0.601 120.677 120.300 -0.372 0.000 2.712 433 Y HA 0.239 4.787 4.550 -0.003 0.000 0.333 433 Y C 1.585 177.278 175.900 -0.344 0.000 1.225 433 Y CA 1.795 59.521 58.100 -0.624 0.000 1.499 433 Y CB -0.580 37.318 38.460 -0.936 0.000 1.288 433 Y HN 0.769 nan 8.280 nan 0.000 0.575 434 G N 2.872 110.979 108.800 -1.155 0.000 2.159 434 G HA2 -0.261 3.697 3.960 -0.003 0.000 0.256 434 G HA3 -0.261 3.697 3.960 -0.003 0.000 0.256 434 G C 0.191 174.877 174.900 -0.357 0.000 0.977 434 G CA 0.445 45.085 45.100 -0.767 0.000 0.652 434 G HN 0.857 nan 8.290 nan 0.000 0.531 435 V N -0.839 118.899 119.914 -0.294 0.000 3.261 435 V HA 0.493 4.611 4.120 -0.003 0.000 0.212 435 V C 2.151 178.157 176.094 -0.147 0.000 1.381 435 V CA 1.424 63.606 62.300 -0.197 0.000 1.322 435 V CB -0.342 31.352 31.823 -0.214 0.000 1.188 435 V HN 0.762 nan 8.190 nan 0.000 0.520 436 G N 0.023 108.717 108.800 -0.177 0.000 2.485 436 G HA2 0.411 4.369 3.960 -0.003 0.000 0.260 436 G HA3 0.411 4.369 3.960 -0.003 0.000 0.260 436 G C -0.724 174.257 174.900 0.135 0.000 1.459 436 G CA 0.404 45.446 45.100 -0.095 0.000 1.060 436 G HN 0.507 nan 8.290 nan 0.000 0.546 437 Y N -3.220 117.180 120.300 0.167 0.000 2.581 437 Y HA 0.765 5.313 4.550 -0.003 0.000 0.345 437 Y C -0.031 176.020 175.900 0.253 0.000 1.036 437 Y CA -1.836 56.399 58.100 0.224 0.000 1.042 437 Y CB 1.031 39.531 38.460 0.066 0.000 1.289 437 Y HN 0.507 nan 8.280 nan 0.000 0.471 438 R N 1.566 122.217 120.500 0.252 0.000 2.522 438 R HA 0.172 4.511 4.340 -0.003 0.000 0.284 438 R C -0.926 175.359 176.300 -0.026 0.000 1.032 438 R CA -0.143 55.834 56.100 -0.205 0.000 1.049 438 R CB -0.183 30.019 30.300 -0.162 0.000 0.956 438 R HN 0.706 nan 8.270 nan 0.000 0.422 439 F N 7.102 126.906 119.950 -0.243 0.000 2.629 439 F HA 0.100 4.625 4.527 -0.003 0.000 0.377 439 F C -1.416 174.351 175.800 -0.054 0.000 1.101 439 F CA -1.475 56.465 58.000 -0.101 0.000 1.301 439 F CB 0.398 39.319 39.000 -0.131 0.000 1.062 439 F HN 0.556 nan 8.300 nan 0.000 0.583 440 P HA -0.071 nan 4.420 nan 0.000 0.260 440 P C 0.717 177.931 177.300 -0.144 0.000 1.207 440 P CA 0.028 62.946 63.100 -0.303 0.000 0.780 440 P CB 0.656 32.140 31.700 -0.359 0.000 0.789 441 L N 7.609 128.791 121.223 -0.069 0.000 1.997 441 L HA -0.138 4.200 4.340 -0.003 0.000 0.216 441 L C -0.887 175.958 176.870 -0.042 0.000 1.074 441 L CA 2.666 57.484 54.840 -0.037 0.000 0.763 441 L CB -2.302 39.711 42.059 -0.077 0.000 0.890 441 L HN 0.268 nan 8.230 nan 0.000 0.434 442 P HA -0.150 nan 4.420 nan 0.000 0.217 442 P C 2.040 179.313 177.300 -0.045 0.000 1.148 442 P CA 1.530 64.589 63.100 -0.069 0.000 0.828 442 P CB -0.080 31.571 31.700 -0.080 0.000 0.783 443 V N -0.874 119.016 119.914 -0.039 0.000 2.453 443 V HA -0.188 3.930 4.120 -0.003 0.000 0.247 443 V C 2.302 178.474 176.094 0.131 0.000 1.048 443 V CA 2.340 64.656 62.300 0.027 0.000 1.049 443 V CB -1.758 30.041 31.823 -0.041 0.000 0.672 443 V HN 0.178 nan 8.190 nan 0.000 0.457 444 T N -0.323 114.341 114.554 0.184 0.000 2.746 444 T HA -0.173 4.175 4.350 -0.003 0.000 0.267 444 T C 2.102 176.772 174.700 -0.050 0.000 1.039 444 T CA 1.387 63.544 62.100 0.093 0.000 1.142 444 T CB -0.219 68.692 68.868 0.071 0.000 0.866 444 T HN 0.378 nan 8.240 nan 0.000 0.444 445 R N 0.837 121.299 120.500 -0.063 0.000 2.083 445 R HA -0.023 4.315 4.340 -0.003 0.000 0.237 445 R C 2.831 179.078 176.300 -0.089 0.000 1.137 445 R CA 1.361 57.398 56.100 -0.104 0.000 0.951 445 R CB -0.533 29.711 30.300 -0.094 0.000 0.851 445 R HN 0.373 nan 8.270 nan 0.000 0.434 446 A N 1.173 123.960 122.820 -0.055 0.000 1.908 446 A HA -0.150 4.168 4.320 -0.003 0.000 0.218 446 A C 2.190 179.741 177.584 -0.055 0.000 1.181 446 A CA 1.217 53.227 52.037 -0.046 0.000 0.627 446 A CB -0.537 18.446 19.000 -0.028 0.000 0.818 446 A HN 0.194 nan 8.150 nan 0.000 0.445 447 L N -0.694 120.495 121.223 -0.057 0.000 2.046 447 L HA -0.170 4.168 4.340 -0.003 0.000 0.208 447 L C 2.559 179.341 176.870 -0.147 0.000 1.077 447 L CA 1.014 55.802 54.840 -0.087 0.000 0.747 447 L CB -0.475 41.536 42.059 -0.079 0.000 0.896 447 L HN 0.390 nan 8.230 nan 0.000 0.432 448 L N -0.270 120.834 121.223 -0.200 0.000 2.056 448 L HA -0.237 4.101 4.340 -0.003 0.000 0.207 448 L C 2.683 179.481 176.870 -0.120 0.000 1.078 448 L CA 1.340 56.003 54.840 -0.295 0.000 0.749 448 L CB -0.559 41.231 42.059 -0.447 0.000 0.901 448 L HN 0.265 nan 8.230 nan 0.000 0.433 449 K N 0.594 120.940 120.400 -0.090 0.000 2.057 449 K HA -0.192 4.127 4.320 -0.003 0.000 0.207 449 K C 2.118 178.705 176.600 -0.021 0.000 1.049 449 K CA 1.417 57.680 56.287 -0.040 0.000 0.931 449 K CB -0.065 32.410 32.500 -0.043 0.000 0.714 449 K HN 0.267 nan 8.250 nan 0.000 0.440 450 A N 0.811 123.609 122.820 -0.037 0.000 1.930 450 A HA -0.019 4.300 4.320 -0.003 0.000 0.217 450 A C 2.252 179.830 177.584 -0.011 0.000 1.175 450 A CA 1.590 53.614 52.037 -0.022 0.000 0.627 450 A CB -0.581 18.400 19.000 -0.032 0.000 0.815 450 A HN 0.471 nan 8.150 nan 0.000 0.443 451 A N -0.548 122.242 122.820 -0.050 0.000 1.968 451 A HA 0.110 4.428 4.320 -0.003 0.000 0.217 451 A C 2.071 179.694 177.584 0.065 0.000 1.169 451 A CA 1.204 53.203 52.037 -0.063 0.000 0.638 451 A CB -0.415 18.359 19.000 -0.378 0.000 0.812 451 A HN 0.451 nan 8.150 nan 0.000 0.446 452 L N 0.053 121.327 121.223 0.084 0.000 2.179 452 L HA -0.073 4.265 4.340 -0.003 0.000 0.208 452 L C 2.676 179.579 176.870 0.056 0.000 1.096 452 L CA 1.309 56.204 54.840 0.093 0.000 0.779 452 L CB -0.136 41.985 42.059 0.104 0.000 0.922 452 L HN 0.559 nan 8.230 nan 0.000 0.443 453 S N -1.065 114.660 115.700 0.042 0.000 2.558 453 S HA 0.130 4.599 4.470 -0.003 0.000 0.217 453 S C 1.551 176.174 174.600 0.039 0.000 0.975 453 S CA 0.450 58.669 58.200 0.032 0.000 0.912 453 S CB 0.473 63.685 63.200 0.020 0.000 0.776 453 S HN 0.508 nan 8.310 nan 0.000 0.526 454 G N 0.670 109.502 108.800 0.054 0.000 2.175 454 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.244 454 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.244 454 G C 0.897 175.836 174.900 0.065 0.000 0.982 454 G CA -0.019 45.119 45.100 0.064 0.000 0.641 454 G HN 1.295 nan 8.290 nan 0.000 0.527 455 A N -0.284 122.566 122.820 0.050 0.000 2.248 455 A HA 0.500 4.819 4.320 -0.003 0.000 0.210 455 A C 2.082 179.700 177.584 0.056 0.000 1.174 455 A CA 1.456 53.518 52.037 0.041 0.000 0.750 455 A CB -0.206 18.806 19.000 0.020 0.000 0.780 455 A HN 0.733 nan 8.150 nan 0.000 0.478 456 L N -1.059 120.221 121.223 0.094 0.000 2.585 456 L HA 0.084 4.423 4.340 -0.003 0.000 0.226 456 L C 1.570 178.597 176.870 0.261 0.000 1.113 456 L CA 0.091 55.020 54.840 0.149 0.000 0.876 456 L CB -0.026 42.145 42.059 0.187 0.000 1.072 456 L HN 0.233 nan 8.230 nan 0.000 0.468 457 E N 0.229 120.542 120.200 0.189 0.000 2.299 457 E HA -0.026 4.323 4.350 -0.003 0.000 0.193 457 E C 0.933 177.627 176.600 0.156 0.000 0.998 457 E CA 0.544 57.048 56.400 0.173 0.000 0.851 457 E CB -0.010 29.750 29.700 0.100 0.000 0.795 457 E HN 0.396 nan 8.360 nan 0.000 0.492 458 N N 0.856 119.627 118.700 0.117 0.000 2.314 458 N HA 0.018 4.757 4.740 -0.003 0.000 0.200 458 N C 0.427 175.983 175.510 0.076 0.000 1.135 458 N CA 0.078 53.179 53.050 0.084 0.000 0.835 458 N CB 0.885 39.404 38.487 0.053 0.000 0.989 458 N HN 0.049 nan 8.380 nan 0.000 0.478 459 V N -1.946 118.027 119.914 0.099 0.000 3.019 459 V HA 0.738 4.857 4.120 -0.003 0.000 0.317 459 V C -2.531 173.594 176.094 0.052 0.000 1.094 459 V CA -2.180 60.132 62.300 0.020 0.000 1.000 459 V CB 2.149 33.919 31.823 -0.088 0.000 1.060 459 V HN -0.151 nan 8.190 nan 0.000 0.443 460 P HA 0.448 nan 4.420 nan 0.000 0.281 460 P C -1.816 175.450 177.300 -0.057 0.000 1.249 460 P CA -0.005 63.130 63.100 0.058 0.000 0.810 460 P CB 0.837 32.554 31.700 0.029 0.000 1.008 461 Y N 0.234 120.557 120.300 0.039 0.000 2.598 461 Y HA 0.539 5.087 4.550 -0.003 0.000 0.340 461 Y C 0.901 176.830 175.900 0.048 0.000 1.038 461 Y CA -0.678 57.451 58.100 0.049 0.000 1.100 461 Y CB 2.178 40.670 38.460 0.054 0.000 1.281 461 Y HN 0.351 nan 8.280 nan 0.000 0.488 462 R N 1.060 121.692 120.500 0.220 0.000 2.575 462 R HA 0.603 4.942 4.340 -0.003 0.000 0.293 462 R C -1.220 175.185 176.300 0.175 0.000 0.983 462 R CA -0.997 55.192 56.100 0.149 0.000 0.887 462 R CB 1.710 32.068 30.300 0.095 0.000 1.184 462 R HN 0.593 nan 8.270 nan 0.000 0.445 463 R N 1.915 122.492 120.500 0.128 0.000 2.347 463 R HA 0.019 4.358 4.340 -0.003 0.000 0.304 463 R C -0.540 175.822 176.300 0.103 0.000 1.072 463 R CA -0.130 56.040 56.100 0.117 0.000 0.980 463 R CB 0.781 31.116 30.300 0.058 0.000 0.986 463 R HN 0.666 nan 8.270 nan 0.000 0.448 464 D N 5.238 125.718 120.400 0.132 0.000 2.382 464 D HA 0.023 4.662 4.640 -0.003 0.000 0.259 464 D C -1.585 174.698 176.300 -0.027 0.000 1.224 464 D CA -1.607 52.449 54.000 0.093 0.000 0.894 464 D CB 1.391 42.241 40.800 0.083 0.000 1.127 464 D HN 0.256 nan 8.370 nan 0.000 0.487 465 P HA -0.195 nan 4.420 nan 0.000 0.216 465 P C 1.479 178.679 177.300 -0.166 0.000 1.157 465 P CA 0.718 63.777 63.100 -0.068 0.000 0.880 465 P CB 0.386 32.065 31.700 -0.035 0.000 0.791 466 V N -2.367 117.401 119.914 -0.243 0.000 2.379 466 V HA -0.104 4.015 4.120 -0.003 0.000 0.243 466 V C 1.942 177.599 176.094 -0.728 0.000 1.035 466 V CA 1.595 63.591 62.300 -0.507 0.000 1.035 466 V CB -1.080 30.327 31.823 -0.693 0.000 0.673 466 V HN -0.038 nan 8.190 nan 0.000 0.457 467 F N 0.448 120.126 119.950 -0.452 0.000 2.698 467 F HA 0.420 4.946 4.527 -0.002 0.000 0.295 467 F C 2.046 177.489 175.800 -0.595 0.000 1.124 467 F CA 0.840 58.441 58.000 -0.665 0.000 1.426 467 F CB -0.304 37.963 39.000 -1.222 0.000 1.120 467 F HN 0.270 nan 8.300 nan 0.000 0.583 468 G N 0.438 109.047 108.800 -0.319 0.000 2.234 468 G HA2 -0.330 3.628 3.960 -0.003 0.000 0.260 468 G HA3 -0.330 3.628 3.960 -0.003 0.000 0.260 468 G C 0.406 175.295 174.900 -0.018 0.000 0.987 468 G CA 0.278 45.284 45.100 -0.156 0.000 0.625 468 G HN 0.273 nan 8.290 nan 0.000 0.532 469 F N 1.075 121.092 119.950 0.111 0.000 2.378 469 F HA 0.773 5.299 4.527 -0.002 0.000 0.319 469 F C 0.328 176.172 175.800 0.073 0.000 1.155 469 F CA -2.524 55.518 58.000 0.069 0.000 1.157 469 F CB 0.447 39.469 39.000 0.037 0.000 1.252 469 F HN 0.019 nan 8.300 nan 0.000 0.550 470 E N 1.562 121.972 120.200 0.350 0.000 2.130 470 E HA 0.375 4.723 4.350 -0.003 0.000 0.284 470 E C -0.884 175.966 176.600 0.416 0.000 1.018 470 E CA -0.478 56.095 56.400 0.289 0.000 0.817 470 E CB 1.783 31.505 29.700 0.037 0.000 1.078 470 E HN 0.461 nan 8.360 nan 0.000 0.396 471 V N 5.652 125.822 119.914 0.426 0.000 2.398 471 V HA 0.249 4.367 4.120 -0.003 0.000 0.286 471 V C -2.097 174.064 176.094 0.111 0.000 1.026 471 V CA -2.188 60.283 62.300 0.285 0.000 0.868 471 V CB 1.569 33.515 31.823 0.205 0.000 0.982 471 V HN 0.486 nan 8.190 nan 0.000 0.443 472 P HA 0.131 nan 4.420 nan 0.000 0.268 472 P C 0.692 177.814 177.300 -0.295 0.000 1.204 472 P CA 0.128 62.810 63.100 -0.697 0.000 0.768 472 P CB 1.066 32.457 31.700 -0.516 0.000 0.842 473 L N 1.581 122.634 121.223 -0.282 0.000 2.313 473 L HA 0.009 4.348 4.340 -0.003 0.000 0.214 473 L C 1.219 178.034 176.870 -0.091 0.000 1.119 473 L CA 1.154 55.922 54.840 -0.119 0.000 0.809 473 L CB -0.221 41.790 42.059 -0.080 0.000 0.933 473 L HN 0.553 nan 8.230 nan 0.000 0.449 474 E N -1.090 119.034 120.200 -0.126 0.000 2.375 474 E HA 0.701 5.049 4.350 -0.003 0.000 0.280 474 E C -1.354 175.197 176.600 -0.081 0.000 0.972 474 E CA -0.942 55.412 56.400 -0.076 0.000 0.782 474 E CB 2.022 31.690 29.700 -0.054 0.000 1.229 474 E HN -0.086 nan 8.360 nan 0.000 0.439 475 A N 2.530 125.321 122.820 -0.048 0.000 2.520 475 A HA 0.691 5.009 4.320 -0.003 0.000 0.298 475 A C -2.746 174.823 177.584 -0.024 0.000 1.051 475 A CA -1.668 50.345 52.037 -0.040 0.000 0.690 475 A CB 1.302 20.278 19.000 -0.040 0.000 1.281 475 A HN 0.526 nan 8.150 nan 0.000 0.402 476 P HA 0.274 nan 4.420 nan 0.000 0.263 476 P C 0.964 178.254 177.300 -0.018 0.000 1.195 476 P CA 1.817 64.906 63.100 -0.017 0.000 0.762 476 P CB 0.619 32.311 31.700 -0.014 0.000 0.799 477 G N 1.619 110.408 108.800 -0.017 0.000 2.159 477 G HA2 -0.183 3.776 3.960 -0.003 0.000 0.256 477 G HA3 -0.183 3.776 3.960 -0.003 0.000 0.256 477 G C -0.143 174.747 174.900 -0.017 0.000 0.977 477 G CA -0.068 45.020 45.100 -0.020 0.000 0.652 477 G HN 0.564 nan 8.290 nan 0.000 0.531 478 V N 1.442 121.350 119.914 -0.010 0.000 2.487 478 V HA 0.532 4.651 4.120 -0.003 0.000 0.298 478 V C -1.989 174.108 176.094 0.004 0.000 1.028 478 V CA -1.745 60.557 62.300 0.003 0.000 0.860 478 V CB 2.018 33.852 31.823 0.019 0.000 0.991 478 V HN 0.119 nan 8.190 nan 0.000 0.427 479 P HA 0.122 nan 4.420 nan 0.000 0.265 479 P C 0.494 177.811 177.300 0.028 0.000 1.222 479 P CA -0.187 62.918 63.100 0.008 0.000 0.767 479 P CB 0.598 32.297 31.700 -0.002 0.000 0.801 480 Q N 3.273 123.084 119.800 0.018 0.000 2.197 480 Q HA -0.267 4.072 4.340 -0.003 0.000 0.207 480 Q C 1.192 177.215 176.000 0.040 0.000 0.984 480 Q CA 1.951 57.767 55.803 0.021 0.000 0.869 480 Q CB -0.895 27.848 28.738 0.008 0.000 0.906 480 Q HN 0.524 nan 8.270 nan 0.000 0.426 481 E N 1.006 121.232 120.200 0.043 0.000 2.130 481 E HA -0.183 4.166 4.350 -0.003 0.000 0.196 481 E C 2.102 178.760 176.600 0.097 0.000 0.998 481 E CA 1.428 57.864 56.400 0.060 0.000 0.806 481 E CB -0.435 29.299 29.700 0.057 0.000 0.738 481 E HN 0.423 nan 8.360 nan 0.000 0.459 482 L N 0.722 122.016 121.223 0.117 0.000 2.201 482 L HA -0.135 4.204 4.340 -0.003 0.000 0.212 482 L C 2.437 179.430 176.870 0.206 0.000 1.105 482 L CA 0.643 55.605 54.840 0.202 0.000 0.775 482 L CB -0.273 41.917 42.059 0.218 0.000 0.913 482 L HN 0.180 nan 8.230 nan 0.000 0.440 483 L N -0.614 120.685 121.223 0.128 0.000 2.291 483 L HA -0.102 4.237 4.340 -0.003 0.000 0.214 483 L C 0.770 177.684 176.870 0.073 0.000 1.120 483 L CA 0.471 55.363 54.840 0.086 0.000 0.799 483 L CB -0.287 41.794 42.059 0.037 0.000 0.925 483 L HN 0.244 nan 8.230 nan 0.000 0.446 484 N N 0.150 118.891 118.700 0.068 0.000 2.699 484 N HA 0.149 4.888 4.740 -0.003 0.000 0.232 484 N C -1.717 173.815 175.510 0.036 0.000 1.027 484 N CA -2.080 50.991 53.050 0.035 0.000 0.920 484 N CB 1.092 39.587 38.487 0.013 0.000 1.148 484 N HN -0.112 nan 8.380 nan 0.000 0.509 485 P HA -0.155 nan 4.420 nan 0.000 0.219 485 P C 1.277 178.530 177.300 -0.079 0.000 1.146 485 P CA 0.813 63.989 63.100 0.128 0.000 0.808 485 P CB 0.581 32.445 31.700 0.273 0.000 0.779 486 R N 0.453 120.616 120.500 -0.562 0.000 2.127 486 R HA -0.127 4.212 4.340 -0.003 0.000 0.238 486 R C 1.820 178.000 176.300 -0.201 0.000 1.134 486 R CA 1.262 56.824 56.100 -0.896 0.000 0.975 486 R CB -0.209 29.641 30.300 -0.749 0.000 0.865 486 R HN 0.077 nan 8.270 nan 0.000 0.447 487 E N -0.682 119.485 120.200 -0.055 0.000 2.478 487 E HA -0.050 4.298 4.350 -0.003 0.000 0.194 487 E C 1.505 178.189 176.600 0.139 0.000 1.045 487 E CA 1.171 57.602 56.400 0.051 0.000 0.868 487 E CB 0.577 30.297 29.700 0.032 0.000 0.885 487 E HN 0.513 nan 8.360 nan 0.000 0.505 488 T N -3.204 111.480 114.554 0.215 0.000 3.057 488 T HA -0.004 4.344 4.350 -0.003 0.000 0.254 488 T C 0.616 175.491 174.700 0.291 0.000 1.094 488 T CA -0.359 61.890 62.100 0.250 0.000 1.088 488 T CB -0.125 68.906 68.868 0.273 0.000 0.934 488 T HN -0.070 nan 8.240 nan 0.000 0.497 489 W N 1.265 122.638 121.300 0.122 0.000 2.126 489 W HA 0.659 5.318 4.660 -0.003 0.000 0.346 489 W C 1.738 178.331 176.519 0.124 0.000 1.279 489 W CA -0.400 57.041 57.345 0.160 0.000 1.259 489 W CB 0.566 30.167 29.460 0.235 0.000 1.133 489 W HN 0.159 nan 8.180 nan 0.000 0.592 490 A N 0.798 123.778 122.820 0.267 0.000 1.972 490 A HA -0.127 4.192 4.320 -0.003 0.000 0.219 490 A C 0.343 178.052 177.584 0.209 0.000 1.169 490 A CA 1.994 54.140 52.037 0.180 0.000 0.635 490 A CB -0.439 18.631 19.000 0.116 0.000 0.810 490 A HN 0.518 nan 8.150 nan 0.000 0.446 491 D N -3.081 117.499 120.400 0.300 0.000 2.947 491 D HA 0.410 5.048 4.640 -0.003 0.000 0.224 491 D C 0.377 176.833 176.300 0.261 0.000 1.230 491 D CA -0.571 53.569 54.000 0.233 0.000 0.871 491 D CB 1.241 42.157 40.800 0.194 0.000 1.671 491 D HN -0.039 nan 8.370 nan 0.000 0.507 492 K N 1.474 121.975 120.400 0.169 0.000 2.097 492 K HA -0.090 4.228 4.320 -0.003 0.000 0.206 492 K C 1.379 178.055 176.600 0.127 0.000 1.049 492 K CA 1.203 57.567 56.287 0.128 0.000 0.933 492 K CB 0.183 32.727 32.500 0.073 0.000 0.717 492 K HN 0.356 nan 8.250 nan 0.000 0.442 493 E N 0.823 121.090 120.200 0.112 0.000 2.058 493 E HA -0.182 4.166 4.350 -0.003 0.000 0.194 493 E C 2.022 178.674 176.600 0.086 0.000 0.997 493 E CA 1.553 58.004 56.400 0.086 0.000 0.801 493 E CB -0.256 29.492 29.700 0.080 0.000 0.746 493 E HN 0.372 nan 8.360 nan 0.000 0.450 494 A N -0.061 122.848 122.820 0.150 0.000 1.908 494 A HA -0.243 4.076 4.320 -0.003 0.000 0.218 494 A C 2.152 179.702 177.584 -0.056 0.000 1.181 494 A CA 1.738 53.884 52.037 0.182 0.000 0.627 494 A CB -0.975 18.271 19.000 0.410 0.000 0.818 494 A HN 0.477 nan 8.150 nan 0.000 0.445 495 Y N 1.238 121.348 120.300 -0.317 0.000 2.128 495 Y HA -0.251 4.297 4.550 -0.003 0.000 0.284 495 Y C 1.935 177.550 175.900 -0.476 0.000 1.154 495 Y CA 2.152 59.710 58.100 -0.903 0.000 1.149 495 Y CB -0.204 37.799 38.460 -0.761 0.000 0.976 495 Y HN 0.365 nan 8.280 nan 0.000 0.505 496 D N -0.178 120.168 120.400 -0.090 0.000 2.123 496 D HA -0.200 4.439 4.640 -0.003 0.000 0.196 496 D C 2.081 178.281 176.300 -0.167 0.000 0.992 496 D CA 1.410 55.359 54.000 -0.086 0.000 0.833 496 D CB -0.312 40.496 40.800 0.014 0.000 0.954 496 D HN 0.475 nan 8.370 nan 0.000 0.455 497 Q N 0.202 119.931 119.800 -0.119 0.000 2.084 497 Q HA -0.167 4.172 4.340 -0.003 0.000 0.202 497 Q C 2.170 178.120 176.000 -0.083 0.000 0.978 497 Q CA 1.010 56.773 55.803 -0.066 0.000 0.844 497 Q CB -0.308 28.430 28.738 0.001 0.000 0.898 497 Q HN 0.328 nan 8.270 nan 0.000 0.426 498 Q N 0.522 120.216 119.800 -0.176 0.000 2.079 498 Q HA -0.062 4.277 4.340 -0.003 0.000 0.200 498 Q C 1.894 177.822 176.000 -0.120 0.000 0.974 498 Q CA 1.758 57.506 55.803 -0.092 0.000 0.840 498 Q CB -0.345 28.274 28.738 -0.198 0.000 0.898 498 Q HN 0.328 nan 8.270 nan 0.000 0.430 499 A N 0.545 123.151 122.820 -0.358 0.000 1.902 499 A HA -0.207 4.112 4.320 -0.003 0.000 0.217 499 A C 2.100 179.595 177.584 -0.148 0.000 1.181 499 A CA 1.624 53.524 52.037 -0.228 0.000 0.623 499 A CB -0.515 18.273 19.000 -0.353 0.000 0.818 499 A HN 0.411 nan 8.150 nan 0.000 0.443 500 R N -0.525 119.879 120.500 -0.159 0.000 2.081 500 R HA -0.136 4.203 4.340 -0.003 0.000 0.235 500 R C 2.386 178.652 176.300 -0.057 0.000 1.131 500 R CA 1.626 57.646 56.100 -0.134 0.000 0.960 500 R CB -0.303 29.939 30.300 -0.097 0.000 0.856 500 R HN 0.634 nan 8.270 nan 0.000 0.436 501 K N 0.914 121.314 120.400 -0.000 0.000 2.026 501 K HA -0.173 4.146 4.320 -0.003 0.000 0.208 501 K C 2.080 178.715 176.600 0.058 0.000 1.048 501 K CA 1.214 57.539 56.287 0.063 0.000 0.929 501 K CB -0.154 32.431 32.500 0.142 0.000 0.713 501 K HN 0.023 nan 8.250 nan 0.000 0.439 502 L N 1.109 122.361 121.223 0.047 0.000 2.083 502 L HA -0.085 4.253 4.340 -0.003 0.000 0.209 502 L C 2.193 179.233 176.870 0.283 0.000 1.083 502 L CA 2.055 56.920 54.840 0.042 0.000 0.752 502 L CB -0.758 41.361 42.059 0.099 0.000 0.899 502 L HN 0.265 nan 8.230 nan 0.000 0.433 503 A N -0.464 122.434 122.820 0.130 0.000 1.908 503 A HA -0.257 4.062 4.320 -0.003 0.000 0.218 503 A C 2.491 180.138 177.584 0.106 0.000 1.181 503 A CA 1.946 53.983 52.037 -0.001 0.000 0.627 503 A CB -0.599 18.205 19.000 -0.326 0.000 0.818 503 A HN 0.494 nan 8.150 nan 0.000 0.445 504 R N -0.783 119.753 120.500 0.060 0.000 2.096 504 R HA -0.025 4.313 4.340 -0.003 0.000 0.235 504 R C 2.082 178.436 176.300 0.091 0.000 1.127 504 R CA 1.316 57.451 56.100 0.059 0.000 0.968 504 R CB -0.418 29.905 30.300 0.039 0.000 0.861 504 R HN 0.543 nan 8.270 nan 0.000 0.440 505 L N -0.559 120.736 121.223 0.120 0.000 2.046 505 L HA -0.204 4.135 4.340 -0.003 0.000 0.208 505 L C 2.056 178.892 176.870 -0.057 0.000 1.077 505 L CA 1.354 56.239 54.840 0.075 0.000 0.747 505 L CB -0.363 41.784 42.059 0.146 0.000 0.896 505 L HN 0.160 nan 8.230 nan 0.000 0.432 506 F N 0.196 120.168 119.950 0.037 0.000 2.134 506 F HA -0.244 4.281 4.527 -0.003 0.000 0.299 506 F C 2.756 178.570 175.800 0.024 0.000 1.097 506 F CA 1.429 59.445 58.000 0.027 0.000 1.264 506 F CB -0.431 38.731 39.000 0.270 0.000 1.001 506 F HN 0.067 nan 8.300 nan 0.000 0.479 507 Q N -0.075 119.870 119.800 0.242 0.000 2.050 507 Q HA -0.221 4.118 4.340 -0.003 0.000 0.202 507 Q C 2.115 178.182 176.000 0.113 0.000 0.980 507 Q CA 1.881 57.788 55.803 0.175 0.000 0.840 507 Q CB -0.292 28.501 28.738 0.091 0.000 0.898 507 Q HN 0.485 nan 8.270 nan 0.000 0.424 508 E N 0.491 120.709 120.200 0.029 0.000 2.051 508 E HA -0.216 4.133 4.350 -0.003 0.000 0.192 508 E C 1.782 178.340 176.600 -0.070 0.000 0.991 508 E CA 1.264 57.654 56.400 -0.017 0.000 0.799 508 E CB -0.116 29.566 29.700 -0.031 0.000 0.748 508 E HN 0.259 nan 8.360 nan 0.000 0.449 509 N N 0.069 118.644 118.700 -0.208 0.000 2.120 509 N HA -0.188 4.550 4.740 -0.003 0.000 0.188 509 N C 1.533 177.013 175.510 -0.050 0.000 1.024 509 N CA 0.860 53.734 53.050 -0.294 0.000 0.852 509 N CB -0.197 37.720 38.487 -0.950 0.000 1.003 509 N HN 0.047 nan 8.380 nan 0.000 0.424 510 F N 1.250 121.136 119.950 -0.107 0.000 2.269 510 F HA -0.105 4.421 4.527 -0.003 0.000 0.301 510 F C 2.166 177.989 175.800 0.038 0.000 1.082 510 F CA 1.031 59.040 58.000 0.014 0.000 1.360 510 F CB -0.155 38.874 39.000 0.048 0.000 1.041 510 F HN 0.127 nan 8.300 nan 0.000 0.512 511 Q N 0.660 120.471 119.800 0.018 0.000 2.152 511 Q HA -0.234 4.105 4.340 -0.003 0.000 0.206 511 Q C 2.070 177.936 176.000 -0.223 0.000 0.985 511 Q CA 1.615 57.379 55.803 -0.066 0.000 0.863 511 Q CB -0.548 28.172 28.738 -0.030 0.000 0.904 511 Q HN 0.455 nan 8.270 nan 0.000 0.422 512 K N -0.620 119.581 120.400 -0.332 0.000 2.280 512 K HA -0.131 4.188 4.320 -0.003 0.000 0.202 512 K C 1.210 177.309 176.600 -0.834 0.000 1.047 512 K CA 1.108 57.042 56.287 -0.588 0.000 0.942 512 K CB 0.025 32.029 32.500 -0.827 0.000 0.739 512 K HN 0.300 nan 8.250 nan 0.000 0.457 513 Y N -1.253 118.775 120.300 -0.453 0.000 2.426 513 Y HA 0.291 4.839 4.550 -0.002 0.000 0.249 513 Y C 1.992 177.524 175.900 -0.614 0.000 1.103 513 Y CA -0.135 57.640 58.100 -0.542 0.000 1.256 513 Y CB 0.020 38.086 38.460 -0.655 0.000 1.208 513 Y HN -0.063 nan 8.280 nan 0.000 0.519 514 A N 0.970 123.450 122.820 -0.567 0.000 1.884 514 A HA -0.328 3.990 4.320 -0.003 0.000 0.219 514 A C 2.465 179.983 177.584 -0.110 0.000 1.197 514 A CA 2.899 54.757 52.037 -0.298 0.000 0.637 514 A CB -1.287 17.675 19.000 -0.063 0.000 0.827 514 A HN 0.494 nan 8.150 nan 0.000 0.450 515 S N -0.436 115.196 115.700 -0.114 0.000 2.380 515 S HA -0.102 4.367 4.470 -0.003 0.000 0.229 515 S C 1.918 176.471 174.600 -0.077 0.000 1.043 515 S CA 1.653 59.806 58.200 -0.078 0.000 1.038 515 S CB -1.417 61.729 63.200 -0.089 0.000 0.872 515 S HN 0.995 nan 8.310 nan 0.000 0.456 516 G N 1.179 109.917 108.800 -0.102 0.000 2.776 516 G HA2 0.327 4.285 3.960 -0.003 0.000 0.209 516 G HA3 0.327 4.285 3.960 -0.003 0.000 0.209 516 G C 0.401 175.271 174.900 -0.049 0.000 1.145 516 G CA 0.686 45.730 45.100 -0.093 0.000 0.791 516 G HN 1.050 nan 8.290 nan 0.000 0.530 517 V N -4.161 115.746 119.914 -0.013 0.000 3.130 517 V HA 0.877 4.996 4.120 -0.003 0.000 0.310 517 V C 0.165 176.292 176.094 0.055 0.000 1.158 517 V CA -1.376 60.944 62.300 0.035 0.000 1.029 517 V CB 1.065 32.946 31.823 0.096 0.000 1.057 517 V HN 0.329 nan 8.190 nan 0.000 0.436 518 A N 1.668 124.518 122.820 0.051 0.000 2.507 518 A HA 0.304 4.622 4.320 -0.003 0.000 0.235 518 A C 1.303 178.933 177.584 0.077 0.000 1.070 518 A CA 0.563 52.627 52.037 0.045 0.000 0.768 518 A CB -0.034 18.982 19.000 0.026 0.000 1.011 518 A HN 1.305 nan 8.150 nan 0.000 0.502 519 K N 0.656 121.090 120.400 0.056 0.000 2.209 519 K HA -0.171 4.147 4.320 -0.003 0.000 0.204 519 K C 1.068 177.699 176.600 0.052 0.000 1.048 519 K CA 1.987 58.313 56.287 0.065 0.000 0.940 519 K CB -0.145 32.377 32.500 0.035 0.000 0.729 519 K HN 0.645 nan 8.250 nan 0.000 0.451 520 E N 1.053 121.273 120.200 0.033 0.000 2.160 520 E HA -0.141 4.207 4.350 -0.003 0.000 0.195 520 E C 1.893 178.506 176.600 0.022 0.000 0.991 520 E CA 1.278 57.686 56.400 0.013 0.000 0.810 520 E CB -0.169 29.535 29.700 0.006 0.000 0.742 520 E HN 0.173 nan 8.360 nan 0.000 0.466 521 V N 0.593 120.553 119.914 0.078 0.000 2.270 521 V HA -0.267 3.852 4.120 -0.003 0.000 0.245 521 V C 2.211 178.351 176.094 0.077 0.000 1.043 521 V CA 1.829 64.206 62.300 0.129 0.000 1.014 521 V CB -0.837 31.132 31.823 0.244 0.000 0.645 521 V HN 0.379 nan 8.190 nan 0.000 0.447 522 A N -0.472 122.426 122.820 0.129 0.000 1.972 522 A HA -0.245 4.073 4.320 -0.003 0.000 0.219 522 A C 2.086 179.560 177.584 -0.183 0.000 1.169 522 A CA 1.849 53.883 52.037 -0.005 0.000 0.635 522 A CB -0.484 18.674 19.000 0.263 0.000 0.810 522 A HN 0.652 nan 8.150 nan 0.000 0.446 523 E N -0.599 119.532 120.200 -0.115 0.000 2.427 523 E HA 0.097 4.446 4.350 -0.003 0.000 0.196 523 E C 1.691 178.156 176.600 -0.224 0.000 1.028 523 E CA 0.461 56.773 56.400 -0.147 0.000 0.864 523 E CB -0.092 29.559 29.700 -0.081 0.000 0.813 523 E HN 0.625 nan 8.360 nan 0.000 0.514 524 A N 1.133 123.785 122.820 -0.280 0.000 2.275 524 A HA 0.226 4.545 4.320 -0.003 0.000 0.212 524 A C 1.232 178.433 177.584 -0.639 0.000 1.201 524 A CA 0.273 52.127 52.037 -0.305 0.000 0.843 524 A CB 0.052 18.959 19.000 -0.154 0.000 0.873 524 A HN 0.206 nan 8.150 nan 0.000 0.492 525 G N 0.712 108.885 108.800 -1.046 0.000 2.616 525 G HA2 0.449 4.408 3.960 -0.003 0.000 0.268 525 G HA3 0.449 4.408 3.960 -0.003 0.000 0.268 525 G C -2.339 172.081 174.900 -0.801 0.000 1.213 525 G CA -1.209 42.859 45.100 -1.719 0.000 0.926 525 G HN 0.193 nan 8.290 nan 0.000 0.523 526 P HA 0.079 nan 4.420 nan 0.000 0.267 526 P C 0.159 177.236 177.300 -0.372 0.000 1.200 526 P CA -0.142 62.681 63.100 -0.462 0.000 0.772 526 P CB 0.687 32.086 31.700 -0.501 0.000 0.855 527 R N 1.518 121.808 120.500 -0.350 0.000 2.738 527 R HA 0.079 4.418 4.340 -0.003 0.000 0.268 527 R C 1.273 177.447 176.300 -0.210 0.000 1.062 527 R CA 0.200 56.150 56.100 -0.250 0.000 1.158 527 R CB -0.446 29.717 30.300 -0.227 0.000 1.046 527 R HN 0.566 nan 8.270 nan 0.000 0.493 528 T N -0.077 114.388 114.554 -0.148 0.000 2.469 528 T HA -0.300 4.048 4.350 -0.003 0.000 0.254 528 T C 0.670 175.298 174.700 -0.120 0.000 1.214 528 T CA 1.715 63.749 62.100 -0.111 0.000 1.202 528 T CB -0.695 68.124 68.868 -0.081 0.000 0.864 528 T HN 0.831 nan 8.240 nan 0.000 0.408 529 E N 0.000 120.131 120.200 -0.116 0.000 2.725 529 E HA 0.000 4.348 4.350 -0.003 0.000 0.291 529 E CA 0.000 56.332 56.400 -0.113 0.000 0.976 529 E CB 0.000 29.651 29.700 -0.081 0.000 0.812 529 E HN 0.000 nan 8.360 nan 0.000 0.440