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 2b1g_1_C DATA FIRST_RESID 4 DATA SEQUENCE RQQLALLSVS EKAGLVEFAR SLNALGLGLI ASGGTATALR DAGLPVRDVS DATA SEQUENCE DLTGFPEMLG GRVKTLHPAV HAGILARNIP EDNADMNKQD FSLVRVVVCN DATA SEQUENCE LYPFVKTVSS PGVTVPEAVE KIDIGGVALL RAAAKNHARV TVVCDPADYS DATA SEQUENCE SVAKEMAASK DKDTSVETRR HLALKAFTHT AQYDAAISDY FRKEYSKGVS DATA SEQUENCE QLPLRYGMNP HQSPAQLYTT RPKLPLTVVN GSPGFINLCD ALNAWQLVKE DATA SEQUENCE LKQALGIPAA ASFKHVSPAG AAVGIPLSEE EAQVCMVHDL HKTLTPLASA DATA SEQUENCE YARSRGADRM SSFGDFIALS DICDVPTAKI ISREVSDGVV APGYEEEALK DATA SEQUENCE ILSKKKNGGY CVLQMDPNYE PDDNEIRTLY GLQLMQKRNN AVIDRSLFKN DATA SEQUENCE IVTKNKTLPE SAVRDLIVAS IAVKYTQSNS VCYAKDGQVI GIGAGQQSRI DATA SEQUENCE HCTRLAGDKA NSWWLRHHPR VLSMKFKAGV KRAEVSNAID QYVTGTIGED DATA SEQUENCE EDLVKWQAMF EEVPAQLTEA EKKQWIAKLT AVSLSSDAFF PFRDNVDRAK DATA SEQUENCE RIGVQFIVAP SGSAADEVVI EACNELGITL IHTNLRLFHH 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.304 176.300 0.006 0.000 0.893 4 R CA 0.000 56.105 56.100 0.009 0.000 0.921 4 R CB 0.000 30.309 30.300 0.014 0.000 0.687 5 Q N 2.914 122.716 119.800 0.003 0.000 2.349 5 Q HA 0.056 4.396 4.340 -0.000 0.000 0.287 5 Q C -0.667 175.331 176.000 -0.003 0.000 1.044 5 Q CA 0.597 56.398 55.803 -0.004 0.000 0.918 5 Q CB 0.757 29.490 28.738 -0.008 0.000 1.242 5 Q HN 0.600 nan 8.270 nan 0.000 0.405 6 Q N 2.039 121.833 119.800 -0.011 0.000 2.215 6 Q HA 0.409 4.749 4.340 -0.000 0.000 0.256 6 Q C -0.898 175.085 176.000 -0.027 0.000 0.972 6 Q CA -0.945 54.850 55.803 -0.014 0.000 0.889 6 Q CB 1.218 29.948 28.738 -0.014 0.000 1.281 6 Q HN 0.435 nan 8.270 nan 0.000 0.456 7 L N 0.736 121.941 121.223 -0.031 0.000 2.334 7 L HA 0.623 4.963 4.340 -0.000 0.000 0.275 7 L C -0.259 176.576 176.870 -0.058 0.000 1.036 7 L CA -0.557 54.256 54.840 -0.045 0.000 0.807 7 L CB 1.196 43.228 42.059 -0.045 0.000 1.231 7 L HN 0.720 nan 8.230 nan 0.000 0.438 8 A N 2.795 125.571 122.820 -0.074 0.000 2.304 8 A HA 0.699 5.019 4.320 -0.000 0.000 0.323 8 A C -1.008 176.530 177.584 -0.077 0.000 1.195 8 A CA -0.433 51.551 52.037 -0.088 0.000 0.826 8 A CB 0.986 19.905 19.000 -0.134 0.000 1.184 8 A HN 0.561 nan 8.150 nan 0.000 0.496 9 L N 3.241 124.425 121.223 -0.066 0.000 2.313 9 L HA 0.763 5.103 4.340 -0.000 0.000 0.283 9 L C -1.411 175.433 176.870 -0.044 0.000 1.013 9 L CA -0.310 54.493 54.840 -0.061 0.000 0.816 9 L CB 1.108 43.122 42.059 -0.075 0.000 1.236 9 L HN 0.553 nan 8.230 nan 0.000 0.419 10 L N 4.419 125.620 121.223 -0.038 0.000 2.381 10 L HA 0.717 5.057 4.340 -0.000 0.000 0.274 10 L C -0.230 176.636 176.870 -0.006 0.000 0.988 10 L CA -0.156 54.675 54.840 -0.015 0.000 0.824 10 L CB 2.040 44.084 42.059 -0.024 0.000 1.263 10 L HN 0.612 nan 8.230 nan 0.000 0.410 11 S N 2.590 118.297 115.700 0.012 0.000 2.387 11 S HA 0.612 5.082 4.470 -0.000 0.000 0.211 11 S C -1.065 173.555 174.600 0.034 0.000 1.055 11 S CA -0.548 57.660 58.200 0.014 0.000 1.133 11 S CB 0.549 63.749 63.200 -0.000 0.000 1.235 11 S HN 0.446 nan 8.310 nan 0.000 0.425 12 V N 2.154 122.097 119.914 0.049 0.000 2.769 12 V HA 0.787 4.906 4.120 -0.000 0.000 0.312 12 V C 1.069 177.205 176.094 0.069 0.000 1.061 12 V CA -0.276 62.067 62.300 0.072 0.000 0.931 12 V CB 1.409 33.298 31.823 0.110 0.000 1.010 12 V HN 0.580 nan 8.190 nan 0.000 0.433 13 S N 1.423 117.176 115.700 0.088 0.000 2.371 13 S HA 0.021 4.491 4.470 -0.000 0.000 0.221 13 S C 0.919 175.588 174.600 0.115 0.000 1.036 13 S CA 1.063 59.329 58.200 0.109 0.000 0.965 13 S CB -0.197 63.113 63.200 0.184 0.000 0.845 13 S HN 0.993 nan 8.310 nan 0.000 0.475 14 E N 1.405 121.671 120.200 0.110 0.000 2.089 14 E HA 0.271 4.621 4.350 -0.000 0.000 0.284 14 E C 0.002 176.653 176.600 0.086 0.000 1.023 14 E CA 0.072 56.523 56.400 0.086 0.000 0.819 14 E CB 0.891 30.622 29.700 0.052 0.000 1.076 14 E HN 0.287 nan 8.360 nan 0.000 0.396 15 K N 3.059 123.510 120.400 0.083 0.000 2.374 15 K HA 0.300 4.620 4.320 -0.000 0.000 0.196 15 K C 0.189 176.856 176.600 0.112 0.000 1.023 15 K CA 0.117 56.464 56.287 0.100 0.000 1.103 15 K CB 0.531 33.074 32.500 0.073 0.000 0.848 15 K HN 0.545 nan 8.250 nan 0.000 0.528 16 A N 1.197 124.066 122.820 0.082 0.000 2.591 16 A HA 0.199 4.519 4.320 -0.000 0.000 0.244 16 A C 1.381 179.055 177.584 0.151 0.000 1.031 16 A CA 1.107 53.187 52.037 0.070 0.000 0.767 16 A CB -0.743 18.262 19.000 0.008 0.000 0.942 16 A HN 0.609 nan 8.150 nan 0.000 0.514 17 G N 1.392 110.285 108.800 0.155 0.000 2.196 17 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.268 17 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.268 17 G C 0.857 175.935 174.900 0.296 0.000 0.975 17 G CA 1.026 46.272 45.100 0.243 0.000 0.648 17 G HN 1.737 nan 8.290 nan 0.000 0.538 18 L N 0.398 121.768 121.223 0.245 0.000 2.046 18 L HA 0.085 4.424 4.340 -0.000 0.000 0.208 18 L C 2.786 179.677 176.870 0.035 0.000 1.077 18 L CA 2.683 57.592 54.840 0.115 0.000 0.747 18 L CB -0.422 41.709 42.059 0.120 0.000 0.896 18 L HN 0.183 nan 8.230 nan 0.000 0.432 19 V N 0.025 119.969 119.914 0.050 0.000 2.358 19 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 19 V C 2.605 178.709 176.094 0.017 0.000 1.047 19 V CA 2.072 64.384 62.300 0.019 0.000 1.035 19 V CB -0.691 31.147 31.823 0.024 0.000 0.658 19 V HN 0.632 nan 8.190 nan 0.000 0.452 20 E N -0.472 119.760 120.200 0.054 0.000 2.077 20 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 20 E C 2.141 178.790 176.600 0.083 0.000 0.989 20 E CA 1.462 57.901 56.400 0.065 0.000 0.800 20 E CB -0.173 29.583 29.700 0.093 0.000 0.746 20 E HN 0.507 nan 8.360 nan 0.000 0.452 21 F N 1.200 121.065 119.950 -0.140 0.000 2.146 21 F HA -0.034 4.492 4.527 -0.000 0.000 0.298 21 F C 2.109 177.782 175.800 -0.212 0.000 1.096 21 F CA 1.297 59.141 58.000 -0.261 0.000 1.275 21 F CB -0.729 37.835 39.000 -0.727 0.000 1.008 21 F HN 0.088 nan 8.300 nan 0.000 0.480 22 A N 0.533 123.233 122.820 -0.200 0.000 1.902 22 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 22 A C 2.412 179.884 177.584 -0.186 0.000 1.181 22 A CA 1.593 53.489 52.037 -0.234 0.000 0.623 22 A CB -0.722 18.198 19.000 -0.132 0.000 0.818 22 A HN 0.388 nan 8.150 nan 0.000 0.443 23 R N -0.266 120.169 120.500 -0.109 0.000 2.103 23 R HA -0.165 4.175 4.340 -0.000 0.000 0.242 23 R C 2.711 178.950 176.300 -0.101 0.000 1.142 23 R CA 1.784 57.836 56.100 -0.080 0.000 0.960 23 R CB -0.490 29.787 30.300 -0.038 0.000 0.858 23 R HN 0.670 nan 8.270 nan 0.000 0.439 24 S N 0.612 116.239 115.700 -0.121 0.000 2.368 24 S HA -0.120 4.350 4.470 -0.000 0.000 0.225 24 S C 1.961 176.445 174.600 -0.195 0.000 1.030 24 S CA 0.914 59.039 58.200 -0.124 0.000 0.999 24 S CB -0.086 63.071 63.200 -0.071 0.000 0.844 24 S HN 0.098 nan 8.310 nan 0.000 0.459 25 L N 2.583 123.607 121.223 -0.332 0.000 2.017 25 L HA 0.033 4.373 4.340 -0.000 0.000 0.208 25 L C 2.516 179.273 176.870 -0.188 0.000 1.073 25 L CA 2.112 56.761 54.840 -0.319 0.000 0.745 25 L CB -1.765 40.029 42.059 -0.442 0.000 0.894 25 L HN 0.492 nan 8.230 nan 0.000 0.432 26 N N -0.244 118.359 118.700 -0.162 0.000 2.069 26 N HA -0.184 4.555 4.740 -0.000 0.000 0.191 26 N C 1.779 177.240 175.510 -0.082 0.000 1.031 26 N CA 1.496 54.482 53.050 -0.107 0.000 0.852 26 N CB -0.147 38.285 38.487 -0.092 0.000 1.018 26 N HN 0.306 nan 8.380 nan 0.000 0.423 27 A N 0.001 122.774 122.820 -0.079 0.000 2.024 27 A HA -0.067 4.252 4.320 -0.000 0.000 0.220 27 A C 1.768 179.321 177.584 -0.051 0.000 1.164 27 A CA 0.873 52.877 52.037 -0.056 0.000 0.643 27 A CB -0.485 18.487 19.000 -0.048 0.000 0.806 27 A HN 0.373 nan 8.150 nan 0.000 0.451 28 L N -1.627 119.556 121.223 -0.066 0.000 2.591 28 L HA 0.136 4.476 4.340 -0.000 0.000 0.228 28 L C 1.674 178.514 176.870 -0.049 0.000 1.133 28 L CA 1.514 56.321 54.840 -0.055 0.000 0.880 28 L CB -1.079 40.939 42.059 -0.068 0.000 1.033 28 L HN 0.678 nan 8.230 nan 0.000 0.450 29 G N 0.071 108.840 108.800 -0.052 0.000 2.144 29 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 29 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 29 G C 0.201 175.074 174.900 -0.046 0.000 0.988 29 G CA -0.272 44.803 45.100 -0.042 0.000 0.659 29 G HN 0.251 nan 8.290 nan 0.000 0.522 30 L N 1.147 122.332 121.223 -0.063 0.000 2.312 30 L HA 0.612 4.951 4.340 -0.000 0.000 0.281 30 L C 1.311 178.141 176.870 -0.066 0.000 1.070 30 L CA -0.321 54.479 54.840 -0.066 0.000 0.805 30 L CB 1.424 43.429 42.059 -0.090 0.000 1.174 30 L HN 0.174 nan 8.230 nan 0.000 0.434 31 G N 3.829 112.598 108.800 -0.053 0.000 2.360 31 G HA2 0.381 4.341 3.960 -0.000 0.000 0.279 31 G HA3 0.381 4.341 3.960 -0.000 0.000 0.279 31 G C -0.393 174.471 174.900 -0.060 0.000 1.189 31 G CA -0.528 44.542 45.100 -0.049 0.000 0.941 31 G HN 0.203 nan 8.290 nan 0.000 0.445 32 L N 2.831 124.015 121.223 -0.065 0.000 2.367 32 L HA 0.498 4.838 4.340 -0.000 0.000 0.275 32 L C 0.506 177.342 176.870 -0.057 0.000 1.129 32 L CA -0.566 54.231 54.840 -0.072 0.000 0.839 32 L CB 1.151 43.163 42.059 -0.077 0.000 1.133 32 L HN 0.561 nan 8.230 nan 0.000 0.453 33 I N 2.222 122.757 120.570 -0.058 0.000 2.569 33 I HA 0.869 5.039 4.170 -0.000 0.000 0.290 33 I C -1.035 175.054 176.117 -0.046 0.000 1.088 33 I CA -0.183 61.087 61.300 -0.049 0.000 1.047 33 I CB 1.865 39.834 38.000 -0.051 0.000 1.237 33 I HN 0.668 nan 8.210 nan 0.000 0.421 34 A N 4.305 127.103 122.820 -0.037 0.000 2.566 34 A HA 0.875 5.195 4.320 -0.000 0.000 0.290 34 A C -1.330 176.241 177.584 -0.021 0.000 1.071 34 A CA -0.446 51.574 52.037 -0.028 0.000 0.658 34 A CB 1.562 20.547 19.000 -0.024 0.000 1.285 34 A HN 0.764 nan 8.150 nan 0.000 0.427 35 S N -1.155 114.537 115.700 -0.014 0.000 2.806 35 S HA 0.886 5.356 4.470 -0.000 0.000 0.306 35 S C 0.755 175.352 174.600 -0.004 0.000 1.167 35 S CA 0.206 58.400 58.200 -0.009 0.000 0.847 35 S CB 0.895 64.091 63.200 -0.007 0.000 1.216 35 S HN 2.742 nan 8.310 nan 0.000 0.532 36 G N 1.127 109.925 108.800 -0.002 0.000 2.634 36 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.309 36 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.309 36 G C 1.063 175.962 174.900 -0.001 0.000 1.265 36 G CA 0.704 45.803 45.100 -0.001 0.000 0.998 36 G HN 1.518 nan 8.290 nan 0.000 0.551 37 G N -1.463 107.337 108.800 -0.000 0.000 2.422 37 G HA2 0.093 4.053 3.960 -0.000 0.000 0.218 37 G HA3 0.093 4.053 3.960 -0.000 0.000 0.218 37 G C 1.850 176.754 174.900 0.006 0.000 1.140 37 G CA 2.386 47.487 45.100 0.002 0.000 0.775 37 G HN 1.016 nan 8.290 nan 0.000 0.545 38 T N 1.827 116.386 114.554 0.008 0.000 2.701 38 T HA 0.054 4.404 4.350 -0.000 0.000 0.263 38 T C 2.853 177.553 174.700 -0.000 0.000 1.040 38 T CA 1.458 63.564 62.100 0.009 0.000 1.147 38 T CB -0.547 68.327 68.868 0.011 0.000 0.865 38 T HN 0.357 nan 8.240 nan 0.000 0.426 39 A N 2.318 125.135 122.820 -0.005 0.000 1.859 39 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 39 A C 2.662 180.241 177.584 -0.007 0.000 1.209 39 A CA 3.145 55.176 52.037 -0.010 0.000 0.639 39 A CB -1.686 17.307 19.000 -0.011 0.000 0.835 39 A HN 0.666 nan 8.150 nan 0.000 0.450 40 T N -1.756 112.795 114.554 -0.004 0.000 2.759 40 T HA 0.011 4.361 4.350 -0.000 0.000 0.269 40 T C 1.958 176.657 174.700 -0.001 0.000 1.042 40 T CA 2.021 64.119 62.100 -0.003 0.000 1.140 40 T CB -0.796 68.071 68.868 -0.002 0.000 0.864 40 T HN 0.757 nan 8.240 nan 0.000 0.455 41 A N 1.911 124.732 122.820 0.002 0.000 1.883 41 A HA 0.091 4.411 4.320 -0.000 0.000 0.217 41 A C 2.489 180.073 177.584 0.001 0.000 1.186 41 A CA 1.566 53.607 52.037 0.006 0.000 0.624 41 A CB -0.953 18.055 19.000 0.014 0.000 0.822 41 A HN 0.545 nan 8.150 nan 0.000 0.444 42 L N -1.387 119.833 121.223 -0.004 0.000 2.027 42 L HA -0.165 4.175 4.340 -0.000 0.000 0.206 42 L C 2.896 179.757 176.870 -0.015 0.000 1.074 42 L CA 1.490 56.322 54.840 -0.014 0.000 0.745 42 L CB -0.520 41.525 42.059 -0.024 0.000 0.898 42 L HN 0.339 nan 8.230 nan 0.000 0.433 43 R N -0.012 120.480 120.500 -0.013 0.000 2.081 43 R HA -0.153 4.186 4.340 -0.000 0.000 0.235 43 R C 1.838 178.132 176.300 -0.009 0.000 1.131 43 R CA 1.459 57.551 56.100 -0.012 0.000 0.960 43 R CB -0.350 29.943 30.300 -0.011 0.000 0.856 43 R HN 0.321 nan 8.270 nan 0.000 0.436 44 D N 0.295 120.692 120.400 -0.006 0.000 2.309 44 D HA -0.082 4.558 4.640 -0.000 0.000 0.212 44 D C 1.084 177.382 176.300 -0.002 0.000 0.968 44 D CA 0.997 54.995 54.000 -0.003 0.000 0.882 44 D CB 0.089 40.889 40.800 -0.000 0.000 0.918 44 D HN 0.262 nan 8.370 nan 0.000 0.503 45 A N -0.484 122.334 122.820 -0.004 0.000 2.337 45 A HA 0.465 4.785 4.320 -0.000 0.000 0.227 45 A C 1.536 179.115 177.584 -0.007 0.000 1.259 45 A CA 0.669 52.705 52.037 -0.003 0.000 0.870 45 A CB -0.061 18.938 19.000 -0.001 0.000 0.927 45 A HN 0.171 nan 8.150 nan 0.000 0.497 46 G N -0.954 107.840 108.800 -0.009 0.000 2.132 46 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.228 46 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.228 46 G C -0.106 174.785 174.900 -0.016 0.000 1.000 46 G CA 0.269 45.362 45.100 -0.011 0.000 0.693 46 G HN 0.434 nan 8.290 nan 0.000 0.515 47 L N 0.925 122.136 121.223 -0.020 0.000 2.334 47 L HA 0.553 4.893 4.340 -0.000 0.000 0.275 47 L C -1.733 175.120 176.870 -0.028 0.000 1.036 47 L CA -2.437 52.386 54.840 -0.028 0.000 0.807 47 L CB 1.670 43.708 42.059 -0.036 0.000 1.231 47 L HN -0.080 nan 8.230 nan 0.000 0.438 48 P HA 0.111 nan 4.420 nan 0.000 0.277 48 P C -0.866 176.413 177.300 -0.034 0.000 1.354 48 P CA -0.002 63.080 63.100 -0.030 0.000 0.891 48 P CB 0.956 32.638 31.700 -0.030 0.000 1.058 49 V N 4.841 124.737 119.914 -0.030 0.000 2.588 49 V HA 0.541 4.661 4.120 -0.000 0.000 0.304 49 V C -0.641 175.438 176.094 -0.026 0.000 1.042 49 V CA -0.996 61.285 62.300 -0.032 0.000 0.877 49 V CB 2.194 33.997 31.823 -0.033 0.000 0.996 49 V HN 0.305 nan 8.190 nan 0.000 0.425 50 R N 4.078 124.561 120.500 -0.028 0.000 2.474 50 R HA 0.408 4.748 4.340 -0.000 0.000 0.295 50 R C -0.577 175.707 176.300 -0.026 0.000 0.980 50 R CA -0.768 55.318 56.100 -0.024 0.000 0.934 50 R CB 1.442 31.727 30.300 -0.024 0.000 1.101 50 R HN 0.870 nan 8.270 nan 0.000 0.469 51 D N 1.383 121.770 120.400 -0.022 0.000 2.400 51 D HA -0.042 4.598 4.640 -0.000 0.000 0.238 51 D C 1.192 177.475 176.300 -0.029 0.000 1.157 51 D CA 0.090 54.077 54.000 -0.022 0.000 0.889 51 D CB 1.455 42.245 40.800 -0.016 0.000 1.199 51 D HN 0.143 nan 8.370 nan 0.000 0.436 52 V N 2.757 122.652 119.914 -0.031 0.000 2.392 52 V HA -0.288 3.832 4.120 -0.000 0.000 0.249 52 V C 2.471 178.537 176.094 -0.048 0.000 1.059 52 V CA 2.329 64.603 62.300 -0.043 0.000 1.051 52 V CB -0.801 30.998 31.823 -0.040 0.000 0.658 52 V HN 0.702 nan 8.190 nan 0.000 0.455 53 S N -0.462 115.219 115.700 -0.031 0.000 2.419 53 S HA -0.226 4.243 4.470 -0.000 0.000 0.233 53 S C 1.604 176.186 174.600 -0.030 0.000 1.016 53 S CA 1.425 59.609 58.200 -0.027 0.000 0.974 53 S CB -0.464 62.733 63.200 -0.006 0.000 0.786 53 S HN 0.599 nan 8.310 nan 0.000 0.492 54 D N 1.220 121.604 120.400 -0.026 0.000 2.178 54 D HA 0.019 4.659 4.640 -0.000 0.000 0.202 54 D C 1.777 178.065 176.300 -0.020 0.000 0.974 54 D CA 0.638 54.627 54.000 -0.019 0.000 0.841 54 D CB -0.286 40.504 40.800 -0.016 0.000 0.953 54 D HN 0.335 nan 8.370 nan 0.000 0.478 55 L N 0.299 121.499 121.223 -0.040 0.000 2.044 55 L HA -0.085 4.255 4.340 -0.000 0.000 0.205 55 L C 2.398 179.225 176.870 -0.073 0.000 1.075 55 L CA 1.541 56.349 54.840 -0.052 0.000 0.747 55 L CB -0.638 41.372 42.059 -0.081 0.000 0.903 55 L HN -0.025 nan 8.230 nan 0.000 0.435 56 T N -1.891 112.586 114.554 -0.128 0.000 3.014 56 T HA 0.095 4.445 4.350 -0.000 0.000 0.263 56 T C 1.465 176.088 174.700 -0.127 0.000 1.078 56 T CA 0.918 62.850 62.100 -0.280 0.000 1.135 56 T CB -0.272 68.290 68.868 -0.511 0.000 0.895 56 T HN 0.613 nan 8.240 nan 0.000 0.480 57 G N 0.420 109.198 108.800 -0.037 0.000 2.175 57 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.265 57 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.265 57 G C 0.014 174.914 174.900 0.001 0.000 0.979 57 G CA 0.326 45.429 45.100 0.004 0.000 0.663 57 G HN 0.567 nan 8.290 nan 0.000 0.533 58 F N 2.612 122.466 119.950 -0.161 0.000 2.404 58 F HA 0.506 5.033 4.527 -0.000 0.000 0.345 58 F C -1.352 174.411 175.800 -0.063 0.000 1.110 58 F CA -2.297 55.635 58.000 -0.114 0.000 1.130 58 F CB 1.339 40.236 39.000 -0.172 0.000 1.129 58 F HN -0.082 nan 8.300 nan 0.000 0.500 59 P HA -0.002 nan 4.420 nan 0.000 0.267 59 P C -0.785 176.534 177.300 0.031 0.000 1.328 59 P CA 0.012 63.058 63.100 -0.089 0.000 0.990 59 P CB 0.013 31.611 31.700 -0.171 0.000 1.168 60 E N 3.522 123.751 120.200 0.049 0.000 2.820 60 E HA -0.011 4.338 4.350 -0.000 0.000 0.251 60 E C 0.586 177.221 176.600 0.058 0.000 0.944 60 E CA 0.764 57.203 56.400 0.065 0.000 0.955 60 E CB -0.008 29.714 29.700 0.037 0.000 0.904 60 E HN 0.532 nan 8.360 nan 0.000 0.513 61 M N 0.930 120.579 119.600 0.081 0.000 2.664 61 M HA 0.405 4.885 4.480 -0.000 0.000 0.279 61 M C -0.554 175.785 176.300 0.064 0.000 1.275 61 M CA -0.831 54.511 55.300 0.070 0.000 0.829 61 M CB 1.438 34.094 32.600 0.093 0.000 1.727 61 M HN 0.452 nan 8.290 nan 0.000 0.459 62 L N 0.588 121.843 121.223 0.053 0.000 3.839 62 L HA -0.220 4.120 4.340 -0.000 0.000 0.416 62 L C 0.781 177.677 176.870 0.043 0.000 1.195 62 L CA 0.945 55.814 54.840 0.048 0.000 0.946 62 L CB -2.562 39.529 42.059 0.053 0.000 1.891 62 L HN 1.357 nan 8.230 nan 0.000 0.963 63 G N -1.155 107.667 108.800 0.037 0.000 2.198 63 G HA2 0.082 4.041 3.960 -0.000 0.000 0.257 63 G HA3 0.082 4.041 3.960 -0.000 0.000 0.257 63 G C 1.003 175.923 174.900 0.033 0.000 1.042 63 G CA 0.417 45.536 45.100 0.032 0.000 0.791 63 G HN 1.847 nan 8.290 nan 0.000 0.502 64 G N -0.907 107.916 108.800 0.039 0.000 2.258 64 G HA2 -0.360 3.599 3.960 -0.000 0.000 0.274 64 G HA3 -0.360 3.599 3.960 -0.000 0.000 0.274 64 G C 0.994 175.918 174.900 0.041 0.000 1.021 64 G CA 1.264 46.388 45.100 0.040 0.000 0.798 64 G HN 1.134 nan 8.290 nan 0.000 0.507 65 R N -1.047 119.480 120.500 0.045 0.000 2.280 65 R HA 0.260 4.600 4.340 -0.000 0.000 0.207 65 R C 1.615 177.943 176.300 0.046 0.000 1.043 65 R CA 1.441 57.569 56.100 0.046 0.000 1.006 65 R CB 0.121 30.450 30.300 0.048 0.000 0.885 65 R HN 0.449 nan 8.270 nan 0.000 0.467 66 V N 0.566 120.509 119.914 0.049 0.000 3.199 66 V HA 0.025 4.145 4.120 -0.000 0.000 0.331 66 V C 0.902 177.020 176.094 0.042 0.000 1.446 66 V CA -0.197 62.129 62.300 0.043 0.000 1.120 66 V CB 0.839 32.686 31.823 0.040 0.000 1.051 66 V HN 0.306 nan 8.190 nan 0.000 0.495 67 K N 0.737 121.163 120.400 0.044 0.000 2.296 67 K HA -0.072 4.248 4.320 -0.000 0.000 0.200 67 K C 1.673 178.288 176.600 0.025 0.000 1.048 67 K CA 1.653 57.962 56.287 0.036 0.000 0.966 67 K CB -0.290 32.228 32.500 0.030 0.000 0.754 67 K HN 0.513 nan 8.250 nan 0.000 0.466 68 T N -0.795 113.785 114.554 0.043 0.000 3.051 68 T HA 0.164 4.514 4.350 -0.000 0.000 0.255 68 T C 1.028 175.832 174.700 0.173 0.000 1.085 68 T CA -0.206 61.927 62.100 0.055 0.000 1.109 68 T CB -0.162 68.721 68.868 0.025 0.000 0.921 68 T HN 0.087 nan 8.240 nan 0.000 0.488 69 L N 2.961 124.274 121.223 0.150 0.000 2.391 69 L HA 0.333 4.673 4.340 -0.000 0.000 0.249 69 L C 0.140 177.055 176.870 0.076 0.000 1.308 69 L CA -0.166 54.745 54.840 0.117 0.000 1.209 69 L CB -0.586 41.478 42.059 0.008 0.000 1.401 69 L HN 0.433 nan 8.230 nan 0.000 0.416 70 H N 1.431 120.531 119.070 0.051 0.000 2.954 70 H HA 0.215 4.770 4.556 -0.000 0.000 0.361 70 H C -2.335 172.982 175.328 -0.018 0.000 1.122 70 H CA -1.479 54.527 56.048 -0.070 0.000 1.217 70 H CB 2.989 32.664 29.762 -0.146 0.000 1.776 70 H HN -0.042 nan 8.280 nan 0.000 0.533 71 P HA -0.189 nan 4.420 nan 0.000 0.217 71 P C 1.151 178.299 177.300 -0.254 0.000 1.148 71 P CA 2.354 65.335 63.100 -0.198 0.000 0.834 71 P CB 0.084 31.702 31.700 -0.137 0.000 0.783 72 A N -0.813 121.740 122.820 -0.445 0.000 1.865 72 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 72 A C 2.369 179.664 177.584 -0.481 0.000 1.191 72 A CA 2.083 53.470 52.037 -1.084 0.000 0.623 72 A CB -1.644 16.960 19.000 -0.660 0.000 0.826 72 A HN 0.042 nan 8.150 nan 0.000 0.444 73 V N -0.613 119.183 119.914 -0.197 0.000 2.237 73 V HA -0.291 3.829 4.120 -0.000 0.000 0.245 73 V C 2.415 178.380 176.094 -0.215 0.000 1.046 73 V CA 2.601 64.782 62.300 -0.198 0.000 1.007 73 V CB -1.028 30.683 31.823 -0.186 0.000 0.638 73 V HN 0.744 nan 8.190 nan 0.000 0.445 74 H N -0.399 118.618 119.070 -0.089 0.000 2.403 74 H HA 0.167 4.722 4.556 -0.000 0.000 0.298 74 H C 2.185 177.497 175.328 -0.027 0.000 1.059 74 H CA 1.232 57.251 56.048 -0.050 0.000 1.363 74 H CB -0.292 29.445 29.762 -0.043 0.000 1.410 74 H HN 0.419 nan 8.280 nan 0.000 0.528 75 A N 0.407 123.279 122.820 0.086 0.000 2.019 75 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 75 A C 2.588 180.222 177.584 0.084 0.000 1.164 75 A CA 1.410 53.516 52.037 0.114 0.000 0.644 75 A CB -1.067 18.079 19.000 0.244 0.000 0.805 75 A HN 0.506 nan 8.150 nan 0.000 0.449 76 G N -0.021 108.783 108.800 0.006 0.000 2.408 76 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 76 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 76 G C 1.475 176.373 174.900 -0.004 0.000 1.150 76 G CA 1.159 46.257 45.100 -0.002 0.000 0.776 76 G HN 0.490 nan 8.290 nan 0.000 0.542 77 I N -0.068 120.488 120.570 -0.023 0.000 2.400 77 I HA 0.026 4.196 4.170 -0.000 0.000 0.248 77 I C 2.152 178.281 176.117 0.019 0.000 1.109 77 I CA 0.263 61.552 61.300 -0.018 0.000 1.425 77 I CB 0.032 37.999 38.000 -0.056 0.000 1.094 77 I HN 0.025 nan 8.210 nan 0.000 0.425 78 L N 0.784 122.033 121.223 0.044 0.000 2.418 78 L HA 0.198 4.538 4.340 -0.000 0.000 0.218 78 L C 1.447 178.344 176.870 0.045 0.000 1.125 78 L CA 0.354 55.227 54.840 0.055 0.000 0.835 78 L CB -1.459 40.644 42.059 0.074 0.000 0.953 78 L HN 0.070 nan 8.230 nan 0.000 0.454 79 A N 0.507 123.356 122.820 0.048 0.000 2.531 79 A HA 0.208 4.528 4.320 -0.000 0.000 0.236 79 A C 0.490 178.091 177.584 0.027 0.000 1.062 79 A CA 0.045 52.108 52.037 0.045 0.000 0.760 79 A CB -0.040 18.995 19.000 0.059 0.000 0.995 79 A HN 0.296 nan 8.150 nan 0.000 0.501 80 R N 1.090 121.603 120.500 0.021 0.000 2.540 80 R HA 0.221 4.561 4.340 -0.000 0.000 0.287 80 R C 0.597 176.903 176.300 0.009 0.000 0.980 80 R CA -0.503 55.602 56.100 0.010 0.000 0.966 80 R CB 0.961 31.264 30.300 0.005 0.000 1.106 80 R HN 0.879 nan 8.270 nan 0.000 0.480 81 N N 4.014 122.716 118.700 0.004 0.000 3.105 81 N HA 0.007 4.747 4.740 -0.000 0.000 0.309 81 N C -0.806 174.706 175.510 0.003 0.000 1.291 81 N CA 0.071 53.123 53.050 0.004 0.000 1.153 81 N CB -0.150 38.338 38.487 0.002 0.000 1.447 81 N HN 0.395 nan 8.380 nan 0.000 0.555 82 I N -2.470 118.103 120.570 0.004 0.000 2.509 82 I HA 0.474 4.644 4.170 -0.000 0.000 0.293 82 I C -2.020 174.099 176.117 0.003 0.000 1.020 82 I CA -2.424 58.877 61.300 0.002 0.000 1.088 82 I CB 2.066 40.067 38.000 0.001 0.000 1.267 82 I HN -0.200 nan 8.210 nan 0.000 0.430 83 P HA -0.231 nan 4.420 nan 0.000 0.218 83 P C 0.991 178.291 177.300 0.000 0.000 1.152 83 P CA 1.633 64.733 63.100 0.001 0.000 0.857 83 P CB 0.231 31.930 31.700 -0.001 0.000 0.787 84 E N -0.545 119.655 120.200 0.001 0.000 2.047 84 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 84 E C 1.854 178.455 176.600 0.002 0.000 0.987 84 E CA 1.309 57.709 56.400 -0.000 0.000 0.799 84 E CB -0.839 28.862 29.700 0.000 0.000 0.752 84 E HN 0.250 nan 8.360 nan 0.000 0.449 85 D N -0.075 120.329 120.400 0.007 0.000 2.117 85 D HA -0.076 4.564 4.640 -0.000 0.000 0.198 85 D C 1.423 177.731 176.300 0.014 0.000 0.982 85 D CA 0.933 54.941 54.000 0.013 0.000 0.828 85 D CB -0.395 40.416 40.800 0.019 0.000 0.967 85 D HN 0.185 nan 8.370 nan 0.000 0.464 86 N N 0.466 119.173 118.700 0.011 0.000 2.149 86 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 86 N C 1.731 177.241 175.510 0.000 0.000 1.019 86 N CA 1.241 54.297 53.050 0.010 0.000 0.857 86 N CB -0.046 38.446 38.487 0.008 0.000 0.997 86 N HN 0.094 nan 8.380 nan 0.000 0.426 87 A N 1.168 123.985 122.820 -0.005 0.000 1.902 87 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 87 A C 1.706 179.274 177.584 -0.027 0.000 1.181 87 A CA 1.558 53.587 52.037 -0.014 0.000 0.623 87 A CB -0.348 18.645 19.000 -0.012 0.000 0.818 87 A HN 0.129 nan 8.150 nan 0.000 0.443 88 D N -0.422 119.965 120.400 -0.023 0.000 2.097 88 D HA -0.131 4.509 4.640 -0.000 0.000 0.195 88 D C 1.978 178.236 176.300 -0.069 0.000 0.989 88 D CA 1.261 55.237 54.000 -0.039 0.000 0.827 88 D CB -0.273 40.518 40.800 -0.015 0.000 0.966 88 D HN 0.277 nan 8.370 nan 0.000 0.456 89 M N 0.403 119.988 119.600 -0.025 0.000 2.296 89 M HA -0.070 4.410 4.480 -0.000 0.000 0.265 89 M C 1.616 177.888 176.300 -0.047 0.000 1.064 89 M CA 0.888 56.184 55.300 -0.007 0.000 1.109 89 M CB -1.137 31.499 32.600 0.061 0.000 1.396 89 M HN 0.097 nan 8.290 nan 0.000 0.430 90 N N 0.268 118.942 118.700 -0.042 0.000 2.062 90 N HA -0.122 4.618 4.740 -0.000 0.000 0.191 90 N C 1.692 177.152 175.510 -0.085 0.000 1.042 90 N CA 0.800 53.822 53.050 -0.045 0.000 0.845 90 N CB -0.019 38.452 38.487 -0.028 0.000 1.024 90 N HN 0.203 nan 8.380 nan 0.000 0.424 91 K N 0.705 121.047 120.400 -0.096 0.000 2.160 91 K HA -0.125 4.194 4.320 -0.000 0.000 0.206 91 K C 1.339 177.825 176.600 -0.191 0.000 1.047 91 K CA 1.191 57.409 56.287 -0.114 0.000 0.930 91 K CB -0.009 32.434 32.500 -0.095 0.000 0.720 91 K HN 0.317 nan 8.250 nan 0.000 0.450 92 Q N -0.049 119.553 119.800 -0.329 0.000 2.282 92 Q HA -0.011 4.329 4.340 -0.000 0.000 0.206 92 Q C -0.400 175.214 176.000 -0.644 0.000 0.878 92 Q CA 0.073 55.484 55.803 -0.654 0.000 0.944 92 Q CB 0.304 28.307 28.738 -1.225 0.000 1.100 92 Q HN 0.291 nan 8.270 nan 0.000 0.509 93 D N -0.096 120.138 120.400 -0.276 0.000 2.723 93 D HA -0.185 4.455 4.640 -0.000 0.000 0.236 93 D C -1.302 175.094 176.300 0.160 0.000 1.138 93 D CA 0.190 54.160 54.000 -0.051 0.000 0.676 93 D CB -0.597 40.200 40.800 -0.004 0.000 1.069 93 D HN -0.010 nan 8.370 nan 0.000 0.430 94 F N 0.620 120.587 119.950 0.028 0.000 2.420 94 F HA 0.456 4.983 4.527 -0.000 0.000 0.342 94 F C 1.100 176.911 175.800 0.018 0.000 1.113 94 F CA -1.240 56.778 58.000 0.030 0.000 1.059 94 F CB 1.609 40.631 39.000 0.036 0.000 1.128 94 F HN -0.212 nan 8.300 nan 0.000 0.475 95 S N 2.882 118.703 115.700 0.200 0.000 2.592 95 S HA 0.409 4.879 4.470 -0.000 0.000 0.271 95 S C -0.381 174.260 174.600 0.068 0.000 1.326 95 S CA -0.493 57.766 58.200 0.097 0.000 1.024 95 S CB 0.850 64.081 63.200 0.052 0.000 0.921 95 S HN 0.313 nan 8.310 nan 0.000 0.527 96 L N 3.148 124.398 121.223 0.046 0.000 2.326 96 L HA 0.346 4.686 4.340 -0.000 0.000 0.278 96 L C -0.556 176.316 176.870 0.002 0.000 1.092 96 L CA 0.114 54.971 54.840 0.029 0.000 0.810 96 L CB 1.105 43.180 42.059 0.026 0.000 1.153 96 L HN 0.381 nan 8.230 nan 0.000 0.439 97 V N 5.660 125.567 119.914 -0.011 0.000 2.385 97 V HA 0.269 4.388 4.120 -0.000 0.000 0.269 97 V C 1.016 177.099 176.094 -0.019 0.000 1.043 97 V CA -0.510 61.774 62.300 -0.028 0.000 0.906 97 V CB 0.954 32.747 31.823 -0.050 0.000 0.995 97 V HN 0.809 nan 8.190 nan 0.000 0.467 98 R N 5.154 125.641 120.500 -0.022 0.000 2.090 98 R HA 0.189 4.529 4.340 -0.000 0.000 0.219 98 R C 0.141 176.435 176.300 -0.009 0.000 1.100 98 R CA 0.992 57.084 56.100 -0.014 0.000 0.991 98 R CB 0.309 30.597 30.300 -0.020 0.000 0.893 98 R HN 0.512 nan 8.270 nan 0.000 0.443 99 V N 0.893 120.793 119.914 -0.023 0.000 2.735 99 V HA 0.477 4.597 4.120 -0.000 0.000 0.310 99 V C -1.070 175.016 176.094 -0.014 0.000 1.061 99 V CA -1.011 61.283 62.300 -0.009 0.000 0.913 99 V CB 2.131 33.934 31.823 -0.033 0.000 1.005 99 V HN -0.113 nan 8.190 nan 0.000 0.428 100 V N 4.542 124.463 119.914 0.011 0.000 2.444 100 V HA 0.473 4.593 4.120 -0.000 0.000 0.294 100 V C -0.493 175.630 176.094 0.048 0.000 1.022 100 V CA -0.541 61.760 62.300 0.002 0.000 0.850 100 V CB 2.081 33.889 31.823 -0.025 0.000 0.992 100 V HN 0.628 nan 8.190 nan 0.000 0.426 101 V N 4.268 124.215 119.914 0.056 0.000 2.313 101 V HA 0.541 4.661 4.120 -0.000 0.000 0.278 101 V C -0.267 175.873 176.094 0.078 0.000 1.017 101 V CA -0.357 62.014 62.300 0.118 0.000 0.823 101 V CB 1.214 33.129 31.823 0.152 0.000 1.010 101 V HN 0.975 nan 8.190 nan 0.000 0.443 102 C N 6.115 125.455 119.300 0.065 0.000 2.811 102 C HA 0.788 5.248 4.460 -0.000 0.000 0.352 102 C C -0.964 174.042 174.990 0.027 0.000 1.098 102 C CA -0.522 58.519 59.018 0.039 0.000 1.295 102 C CB 1.207 28.953 27.740 0.010 0.000 1.758 102 C HN 1.109 nan 8.230 nan 0.000 0.488 103 N N 4.211 122.942 118.700 0.051 0.000 2.357 103 N HA 0.794 5.533 4.740 -0.000 0.000 0.284 103 N C -1.719 173.877 175.510 0.144 0.000 1.236 103 N CA -0.838 52.267 53.050 0.092 0.000 0.774 103 N CB 0.925 39.413 38.487 0.001 0.000 1.534 103 N HN 0.580 nan 8.380 nan 0.000 0.478 104 L N 0.368 121.741 121.223 0.249 0.000 2.325 104 L HA 0.450 4.790 4.340 -0.000 0.000 0.278 104 L C -0.572 176.372 176.870 0.123 0.000 1.023 104 L CA -1.264 53.579 54.840 0.004 0.000 0.811 104 L CB 0.912 42.692 42.059 -0.466 0.000 1.249 104 L HN 0.589 nan 8.230 nan 0.000 0.431 105 Y N 3.935 124.256 120.300 0.035 0.000 2.632 105 Y HA 0.091 4.641 4.550 -0.000 0.000 0.329 105 Y C -1.939 174.068 175.900 0.180 0.000 1.174 105 Y CA -1.676 56.481 58.100 0.095 0.000 1.469 105 Y CB 0.282 38.799 38.460 0.095 0.000 1.242 105 Y HN 0.346 nan 8.280 nan 0.000 0.540 106 P HA -0.108 nan 4.420 nan 0.000 0.262 106 P C 0.246 177.541 177.300 -0.008 0.000 1.182 106 P CA 0.472 63.522 63.100 -0.084 0.000 0.761 106 P CB 0.267 31.834 31.700 -0.223 0.000 0.795 107 F N 4.214 124.162 119.950 -0.003 0.000 2.186 107 F HA -0.186 4.341 4.527 -0.000 0.000 0.299 107 F C 1.957 177.649 175.800 -0.181 0.000 1.090 107 F CA 1.347 59.273 58.000 -0.124 0.000 1.307 107 F CB -0.442 38.318 39.000 -0.400 0.000 1.019 107 F HN 0.023 nan 8.300 nan 0.000 0.489 108 V N 0.280 120.113 119.914 -0.135 0.000 2.380 108 V HA -0.332 3.788 4.120 -0.000 0.000 0.251 108 V C 2.555 178.491 176.094 -0.263 0.000 1.063 108 V CA 1.829 64.007 62.300 -0.203 0.000 1.055 108 V CB -0.663 31.098 31.823 -0.103 0.000 0.657 108 V HN 0.194 nan 8.190 nan 0.000 0.455 109 K N -0.207 120.030 120.400 -0.270 0.000 2.062 109 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 109 K C 2.292 178.796 176.600 -0.160 0.000 1.051 109 K CA 1.586 57.719 56.287 -0.256 0.000 0.941 109 K CB -0.812 31.396 32.500 -0.487 0.000 0.719 109 K HN 0.489 nan 8.250 nan 0.000 0.440 110 T N 1.617 116.055 114.554 -0.193 0.000 2.665 110 T HA -0.130 4.219 4.350 -0.000 0.000 0.268 110 T C 1.856 176.306 174.700 -0.416 0.000 1.035 110 T CA 1.978 63.947 62.100 -0.219 0.000 1.151 110 T CB -0.231 68.384 68.868 -0.422 0.000 0.862 110 T HN 0.209 nan 8.240 nan 0.000 0.438 111 V N -1.030 118.488 119.914 -0.661 0.000 3.306 111 V HA 0.192 4.311 4.120 -0.000 0.000 0.264 111 V C 2.034 177.937 176.094 -0.319 0.000 1.149 111 V CA 1.061 62.968 62.300 -0.655 0.000 1.143 111 V CB -0.334 30.866 31.823 -1.038 0.000 0.767 111 V HN 0.239 nan 8.190 nan 0.000 0.476 112 S N 0.223 115.784 115.700 -0.231 0.000 2.558 112 S HA 0.141 4.611 4.470 -0.000 0.000 0.217 112 S C 1.169 175.721 174.600 -0.081 0.000 0.975 112 S CA 0.693 58.817 58.200 -0.127 0.000 0.912 112 S CB -0.245 62.891 63.200 -0.107 0.000 0.776 112 S HN 0.666 nan 8.310 nan 0.000 0.526 113 S N 2.781 118.431 115.700 -0.084 0.000 2.629 113 S HA 0.066 4.535 4.470 -0.000 0.000 0.302 113 S C -1.335 173.246 174.600 -0.031 0.000 1.244 113 S CA -1.247 56.928 58.200 -0.040 0.000 1.098 113 S CB 0.442 63.620 63.200 -0.036 0.000 0.858 113 S HN 0.079 nan 8.310 nan 0.000 0.502 114 P HA -0.159 nan 4.420 nan 0.000 0.222 114 P C 0.710 178.004 177.300 -0.010 0.000 1.147 114 P CA 1.828 64.921 63.100 -0.012 0.000 0.958 114 P CB -0.086 31.611 31.700 -0.006 0.000 0.788 115 G N -1.098 107.698 108.800 -0.007 0.000 4.829 115 G HA2 0.380 4.340 3.960 -0.000 0.000 0.320 115 G HA3 0.380 4.340 3.960 -0.000 0.000 0.320 115 G C -1.034 173.865 174.900 -0.001 0.000 1.445 115 G CA -0.071 45.028 45.100 -0.003 0.000 1.151 115 G HN 0.271 nan 8.290 nan 0.000 0.572 116 V N 2.085 121.996 119.914 -0.005 0.000 2.427 116 V HA 0.685 4.805 4.120 -0.000 0.000 0.286 116 V C 0.746 176.853 176.094 0.022 0.000 1.034 116 V CA -0.219 62.080 62.300 -0.003 0.000 0.893 116 V CB 1.632 33.434 31.823 -0.036 0.000 0.982 116 V HN 0.577 nan 8.190 nan 0.000 0.452 117 T N 3.462 118.036 114.554 0.034 0.000 2.902 117 T HA 0.392 4.741 4.350 -0.000 0.000 0.280 117 T C 1.170 175.926 174.700 0.093 0.000 0.992 117 T CA -0.096 62.034 62.100 0.051 0.000 1.015 117 T CB 1.575 70.466 68.868 0.038 0.000 1.044 117 T HN 0.356 nan 8.240 nan 0.000 0.520 118 V N 2.076 122.043 119.914 0.087 0.000 2.237 118 V HA -0.060 4.060 4.120 -0.000 0.000 0.245 118 V C -0.315 175.860 176.094 0.134 0.000 1.046 118 V CA 1.577 63.941 62.300 0.107 0.000 1.007 118 V CB -1.981 29.800 31.823 -0.070 0.000 0.638 118 V HN 0.770 nan 8.190 nan 0.000 0.445 119 P HA -0.224 nan 4.420 nan 0.000 0.216 119 P C 1.557 178.927 177.300 0.116 0.000 1.157 119 P CA 1.822 64.984 63.100 0.102 0.000 0.880 119 P CB -0.058 31.683 31.700 0.069 0.000 0.791 120 E N -0.313 119.943 120.200 0.093 0.000 2.070 120 E HA -0.176 4.174 4.350 -0.000 0.000 0.197 120 E C 2.230 178.894 176.600 0.106 0.000 1.004 120 E CA 1.509 57.958 56.400 0.081 0.000 0.805 120 E CB -0.576 29.154 29.700 0.050 0.000 0.744 120 E HN 0.197 nan 8.360 nan 0.000 0.451 121 A N 0.724 123.619 122.820 0.124 0.000 1.898 121 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 121 A C 2.502 180.281 177.584 0.324 0.000 1.181 121 A CA 1.035 53.142 52.037 0.116 0.000 0.620 121 A CB -0.633 18.359 19.000 -0.013 0.000 0.819 121 A HN 0.122 nan 8.150 nan 0.000 0.442 122 V N 0.493 120.638 119.914 0.385 0.000 2.392 122 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 122 V C 2.569 178.841 176.094 0.296 0.000 1.059 122 V CA 2.467 65.016 62.300 0.415 0.000 1.051 122 V CB -0.729 31.295 31.823 0.335 0.000 0.658 122 V HN 0.789 nan 8.190 nan 0.000 0.455 123 E N 0.552 120.880 120.200 0.214 0.000 2.338 123 E HA -0.168 4.181 4.350 -0.000 0.000 0.197 123 E C 1.882 178.584 176.600 0.169 0.000 1.007 123 E CA 1.210 57.708 56.400 0.163 0.000 0.849 123 E CB -0.198 29.572 29.700 0.116 0.000 0.774 123 E HN 0.549 nan 8.360 nan 0.000 0.506 124 K N -0.065 120.464 120.400 0.215 0.000 2.404 124 K HA 0.198 4.518 4.320 -0.000 0.000 0.194 124 K C -0.080 176.714 176.600 0.324 0.000 1.023 124 K CA -0.219 56.202 56.287 0.224 0.000 1.094 124 K CB 0.228 32.839 32.500 0.186 0.000 0.841 124 K HN 0.182 nan 8.250 nan 0.000 0.523 125 I N 2.762 123.525 120.570 0.322 0.000 2.742 125 I HA -0.119 4.050 4.170 -0.000 0.000 0.287 125 I C 0.642 176.906 176.117 0.244 0.000 1.186 125 I CA 0.282 61.732 61.300 0.250 0.000 1.417 125 I CB 0.088 38.145 38.000 0.096 0.000 1.377 125 I HN 0.135 nan 8.210 nan 0.000 0.556 126 D N 7.153 127.766 120.400 0.355 0.000 2.425 126 D HA 0.031 4.671 4.640 -0.000 0.000 0.247 126 D C 0.516 176.884 176.300 0.113 0.000 1.147 126 D CA 0.029 54.128 54.000 0.165 0.000 0.879 126 D CB 1.165 41.939 40.800 -0.043 0.000 1.179 126 D HN 0.336 nan 8.370 nan 0.000 0.456 127 I N 3.179 123.791 120.570 0.071 0.000 3.341 127 I HA 0.033 4.203 4.170 -0.000 0.000 0.243 127 I C 2.394 178.535 176.117 0.041 0.000 1.094 127 I CA 0.426 61.759 61.300 0.055 0.000 1.507 127 I CB -1.425 36.608 38.000 0.055 0.000 1.441 127 I HN 0.553 nan 8.210 nan 0.000 0.465 128 G N 0.929 109.755 108.800 0.044 0.000 2.418 128 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 128 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 128 G C 1.624 176.550 174.900 0.042 0.000 1.158 128 G CA 0.980 46.114 45.100 0.057 0.000 0.771 128 G HN 0.492 nan 8.290 nan 0.000 0.545 129 G N 0.204 109.007 108.800 0.005 0.000 2.422 129 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.218 129 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.218 129 G C 1.723 176.601 174.900 -0.038 0.000 1.140 129 G CA 1.072 46.160 45.100 -0.021 0.000 0.775 129 G HN 0.327 nan 8.290 nan 0.000 0.545 130 V N 1.307 121.190 119.914 -0.051 0.000 2.427 130 V HA -0.077 4.043 4.120 -0.000 0.000 0.248 130 V C 3.231 179.330 176.094 0.009 0.000 1.051 130 V CA 1.891 64.164 62.300 -0.044 0.000 1.048 130 V CB -0.580 31.226 31.823 -0.028 0.000 0.666 130 V HN 0.452 nan 8.190 nan 0.000 0.456 131 A N -0.286 122.566 122.820 0.053 0.000 1.929 131 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 131 A C 2.185 179.863 177.584 0.157 0.000 1.176 131 A CA 1.212 53.319 52.037 0.117 0.000 0.628 131 A CB -0.401 18.686 19.000 0.144 0.000 0.816 131 A HN 0.489 nan 8.150 nan 0.000 0.444 132 L N -0.660 120.615 121.223 0.087 0.000 2.046 132 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 132 L C 2.558 179.400 176.870 -0.047 0.000 1.077 132 L CA 1.118 55.940 54.840 -0.029 0.000 0.747 132 L CB -0.622 41.395 42.059 -0.071 0.000 0.896 132 L HN 0.367 nan 8.230 nan 0.000 0.432 133 L N -0.680 120.511 121.223 -0.054 0.000 2.027 133 L HA -0.183 4.157 4.340 -0.000 0.000 0.206 133 L C 2.907 179.644 176.870 -0.222 0.000 1.074 133 L CA 1.289 56.061 54.840 -0.114 0.000 0.745 133 L CB -0.427 41.580 42.059 -0.086 0.000 0.898 133 L HN 0.191 nan 8.230 nan 0.000 0.433 134 R N -0.265 120.138 120.500 -0.163 0.000 2.075 134 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 134 R C 2.414 178.663 176.300 -0.085 0.000 1.126 134 R CA 1.263 57.242 56.100 -0.201 0.000 0.963 134 R CB -0.504 29.837 30.300 0.069 0.000 0.858 134 R HN 0.350 nan 8.270 nan 0.000 0.435 135 A N 1.471 124.302 122.820 0.018 0.000 1.858 135 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 135 A C 2.405 180.002 177.584 0.022 0.000 1.190 135 A CA 1.827 53.907 52.037 0.073 0.000 0.617 135 A CB -0.758 18.335 19.000 0.155 0.000 0.827 135 A HN 0.397 nan 8.150 nan 0.000 0.443 136 A N -0.400 122.401 122.820 -0.033 0.000 1.933 136 A HA 0.192 4.512 4.320 -0.000 0.000 0.218 136 A C 2.485 180.057 177.584 -0.020 0.000 1.175 136 A CA 2.074 54.094 52.037 -0.027 0.000 0.628 136 A CB -0.943 18.030 19.000 -0.045 0.000 0.814 136 A HN 1.048 nan 8.150 nan 0.000 0.444 137 A N -0.037 122.694 122.820 -0.149 0.000 1.898 137 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 137 A C 2.114 179.793 177.584 0.160 0.000 1.181 137 A CA 1.928 53.846 52.037 -0.197 0.000 0.620 137 A CB -0.485 18.012 19.000 -0.838 0.000 0.819 137 A HN 0.571 nan 8.150 nan 0.000 0.442 138 K N -0.221 120.309 120.400 0.216 0.000 2.001 138 K HA -0.230 4.089 4.320 -0.000 0.000 0.214 138 K C 1.017 177.767 176.600 0.250 0.000 1.050 138 K CA 1.930 58.457 56.287 0.399 0.000 0.934 138 K CB -0.279 32.405 32.500 0.307 0.000 0.718 138 K HN 0.383 nan 8.250 nan 0.000 0.443 139 N N 0.982 119.762 118.700 0.134 0.000 2.509 139 N HA -0.057 4.683 4.740 -0.000 0.000 0.239 139 N C 0.792 176.313 175.510 0.019 0.000 1.215 139 N CA -0.021 53.055 53.050 0.044 0.000 0.882 139 N CB -0.118 38.391 38.487 0.037 0.000 1.189 139 N HN 0.387 nan 8.380 nan 0.000 0.490 140 H N -1.838 117.264 119.070 0.052 0.000 2.546 140 H HA 0.085 4.641 4.556 -0.000 0.000 0.277 140 H C 1.415 176.761 175.328 0.030 0.000 1.004 140 H CA 0.871 56.942 56.048 0.038 0.000 1.231 140 H CB -0.058 29.733 29.762 0.049 0.000 1.382 140 H HN 0.242 nan 8.280 nan 0.000 0.580 141 A N 1.588 124.168 122.820 -0.400 0.000 2.024 141 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 141 A C 2.550 180.093 177.584 -0.069 0.000 1.164 141 A CA 1.830 53.733 52.037 -0.223 0.000 0.643 141 A CB -0.521 18.355 19.000 -0.206 0.000 0.806 141 A HN 0.504 nan 8.150 nan 0.000 0.451 142 R N -2.005 118.471 120.500 -0.039 0.000 2.243 142 R HA 0.240 4.579 4.340 -0.000 0.000 0.193 142 R C -0.459 175.852 176.300 0.019 0.000 0.933 142 R CA 0.335 56.432 56.100 -0.004 0.000 1.105 142 R CB 0.516 30.812 30.300 -0.006 0.000 1.169 142 R HN 0.200 nan 8.270 nan 0.000 0.599 143 V N 2.354 122.286 119.914 0.030 0.000 2.465 143 V HA 0.222 4.342 4.120 -0.000 0.000 0.279 143 V C -0.231 175.899 176.094 0.060 0.000 1.045 143 V CA -0.228 62.094 62.300 0.036 0.000 0.938 143 V CB 1.580 33.419 31.823 0.026 0.000 0.986 143 V HN 0.221 nan 8.190 nan 0.000 0.467 144 T N 4.872 119.457 114.554 0.052 0.000 2.737 144 T HA 0.335 4.684 4.350 -0.000 0.000 0.296 144 T C -0.312 174.426 174.700 0.063 0.000 0.922 144 T CA 0.040 62.182 62.100 0.070 0.000 1.079 144 T CB 1.136 70.053 68.868 0.082 0.000 0.892 144 T HN 0.445 nan 8.240 nan 0.000 0.514 145 V N 5.610 125.557 119.914 0.055 0.000 2.417 145 V HA 0.615 4.735 4.120 -0.000 0.000 0.291 145 V C -0.866 175.252 176.094 0.039 0.000 1.024 145 V CA -0.507 61.810 62.300 0.030 0.000 0.861 145 V CB 1.490 33.299 31.823 -0.024 0.000 0.985 145 V HN 0.693 nan 8.190 nan 0.000 0.436 146 V N 6.917 126.872 119.914 0.068 0.000 2.380 146 V HA 0.239 4.358 4.120 -0.000 0.000 0.286 146 V C 0.655 176.766 176.094 0.029 0.000 1.015 146 V CA -0.270 62.073 62.300 0.073 0.000 0.834 146 V CB 0.971 32.911 31.823 0.195 0.000 1.009 146 V HN 1.082 nan 8.190 nan 0.000 0.428 147 C N -0.034 119.210 119.300 -0.093 0.000 3.070 147 C HA 0.375 4.835 4.460 -0.000 0.000 0.280 147 C C 0.482 175.297 174.990 -0.292 0.000 1.264 147 C CA -0.046 58.850 59.018 -0.204 0.000 1.690 147 C CB -0.607 26.919 27.740 -0.356 0.000 2.049 147 C HN 0.742 nan 8.230 nan 0.000 0.636 148 D N 1.187 121.420 120.400 -0.279 0.000 2.469 148 D HA 0.390 5.030 4.640 -0.000 0.000 0.251 148 D C -1.919 174.034 176.300 -0.578 0.000 1.173 148 D CA -1.950 51.840 54.000 -0.350 0.000 0.882 148 D CB 1.923 42.565 40.800 -0.264 0.000 1.129 148 D HN -0.118 nan 8.370 nan 0.000 0.549 149 P HA -0.151 nan 4.420 nan 0.000 0.218 149 P C 1.036 177.805 177.300 -0.886 0.000 1.146 149 P CA 1.312 63.565 63.100 -1.412 0.000 0.820 149 P CB 0.255 31.509 31.700 -0.743 0.000 0.778 150 A N -0.301 122.230 122.820 -0.482 0.000 2.019 150 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 150 A C 1.856 179.285 177.584 -0.258 0.000 1.164 150 A CA 1.817 53.679 52.037 -0.292 0.000 0.644 150 A CB -1.054 17.826 19.000 -0.200 0.000 0.805 150 A HN 0.130 nan 8.150 nan 0.000 0.449 151 D N -1.612 118.602 120.400 -0.309 0.000 2.347 151 D HA -0.035 4.605 4.640 -0.000 0.000 0.213 151 D C 1.278 177.457 176.300 -0.202 0.000 0.985 151 D CA 0.399 54.277 54.000 -0.204 0.000 0.879 151 D CB -0.232 40.475 40.800 -0.156 0.000 0.919 151 D HN 0.470 nan 8.370 nan 0.000 0.526 152 Y N 1.670 121.678 120.300 -0.487 0.000 2.040 152 Y HA -0.248 4.302 4.550 -0.000 0.000 0.275 152 Y C 2.834 178.525 175.900 -0.348 0.000 1.171 152 Y CA 0.592 58.156 58.100 -0.893 0.000 1.123 152 Y CB -1.364 36.614 38.460 -0.802 0.000 0.963 152 Y HN -0.036 nan 8.280 nan 0.000 0.493 153 S N -0.868 114.840 115.700 0.012 0.000 2.370 153 S HA -0.217 4.253 4.470 -0.000 0.000 0.226 153 S C 2.496 177.132 174.600 0.061 0.000 1.033 153 S CA 1.730 59.968 58.200 0.063 0.000 1.011 153 S CB -0.646 62.574 63.200 0.032 0.000 0.852 153 S HN 0.535 nan 8.310 nan 0.000 0.457 154 S N 0.104 115.817 115.700 0.022 0.000 2.357 154 S HA -0.049 4.421 4.470 -0.000 0.000 0.221 154 S C 1.900 176.540 174.600 0.067 0.000 1.031 154 S CA 1.434 59.652 58.200 0.029 0.000 0.982 154 S CB -0.749 62.450 63.200 -0.002 0.000 0.853 154 S HN 0.381 nan 8.310 nan 0.000 0.458 155 V N 2.578 122.541 119.914 0.081 0.000 2.282 155 V HA -0.202 3.918 4.120 -0.000 0.000 0.249 155 V C 3.036 179.264 176.094 0.224 0.000 1.057 155 V CA 2.017 64.410 62.300 0.156 0.000 1.032 155 V CB -1.519 30.425 31.823 0.202 0.000 0.645 155 V HN 0.667 nan 8.190 nan 0.000 0.447 156 A N -0.514 122.495 122.820 0.316 0.000 1.902 156 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 156 A C 2.352 180.014 177.584 0.129 0.000 1.181 156 A CA 2.146 54.341 52.037 0.264 0.000 0.623 156 A CB -0.505 18.693 19.000 0.330 0.000 0.818 156 A HN 0.539 nan 8.150 nan 0.000 0.443 157 K N -0.240 120.224 120.400 0.107 0.000 2.097 157 K HA -0.212 4.108 4.320 -0.000 0.000 0.206 157 K C 2.068 178.702 176.600 0.056 0.000 1.049 157 K CA 1.722 58.049 56.287 0.067 0.000 0.933 157 K CB -0.145 32.388 32.500 0.054 0.000 0.717 157 K HN 0.661 nan 8.250 nan 0.000 0.442 158 E N 0.250 120.489 120.200 0.066 0.000 2.072 158 E HA -0.171 4.179 4.350 -0.000 0.000 0.190 158 E C 1.989 178.620 176.600 0.050 0.000 0.982 158 E CA 1.072 57.506 56.400 0.056 0.000 0.803 158 E CB -0.006 29.732 29.700 0.063 0.000 0.755 158 E HN 0.329 nan 8.360 nan 0.000 0.453 159 M N 0.269 119.904 119.600 0.058 0.000 2.159 159 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 159 M C 2.390 178.703 176.300 0.022 0.000 1.063 159 M CA 1.437 56.760 55.300 0.037 0.000 1.110 159 M CB -0.088 32.531 32.600 0.031 0.000 1.374 159 M HN 0.212 nan 8.290 nan 0.000 0.411 160 A N 0.105 122.940 122.820 0.026 0.000 1.930 160 A HA 0.137 4.457 4.320 -0.000 0.000 0.215 160 A C 2.269 179.863 177.584 0.016 0.000 1.176 160 A CA 1.480 53.527 52.037 0.016 0.000 0.632 160 A CB -0.614 18.398 19.000 0.019 0.000 0.819 160 A HN 0.468 nan 8.150 nan 0.000 0.445 161 A N -0.695 122.138 122.820 0.022 0.000 2.167 161 A HA 0.265 4.585 4.320 -0.000 0.000 0.214 161 A C 1.482 179.077 177.584 0.018 0.000 1.151 161 A CA 0.837 52.886 52.037 0.019 0.000 0.735 161 A CB -0.479 18.534 19.000 0.022 0.000 0.802 161 A HN 0.450 nan 8.150 nan 0.000 0.467 162 S N -0.739 114.972 115.700 0.019 0.000 2.548 162 S HA 0.280 4.750 4.470 -0.000 0.000 0.277 162 S C 0.975 175.582 174.600 0.012 0.000 1.315 162 S CA -0.410 57.800 58.200 0.017 0.000 1.050 162 S CB 0.845 64.057 63.200 0.021 0.000 0.918 162 S HN 0.310 nan 8.310 nan 0.000 0.497 163 K N 2.458 122.864 120.400 0.011 0.000 2.147 163 K HA -0.043 4.277 4.320 -0.000 0.000 0.205 163 K C 0.852 177.455 176.600 0.006 0.000 1.049 163 K CA 1.797 58.088 56.287 0.008 0.000 0.936 163 K CB -0.148 32.357 32.500 0.008 0.000 0.722 163 K HN 0.822 nan 8.250 nan 0.000 0.446 164 D N -0.905 119.500 120.400 0.008 0.000 2.424 164 D HA 0.116 4.756 4.640 -0.000 0.000 0.220 164 D C -0.660 175.642 176.300 0.004 0.000 1.150 164 D CA -0.341 53.663 54.000 0.005 0.000 0.831 164 D CB 0.205 41.009 40.800 0.007 0.000 0.981 164 D HN -0.083 nan 8.370 nan 0.000 0.500 165 K N -0.546 119.856 120.400 0.004 0.000 3.117 165 K HA -0.190 4.129 4.320 -0.000 0.000 0.269 165 K C -0.762 175.839 176.600 0.002 0.000 1.098 165 K CA 0.808 57.094 56.287 -0.001 0.000 0.785 165 K CB -1.193 31.301 32.500 -0.009 0.000 1.242 165 K HN 0.389 nan 8.250 nan 0.000 0.491 166 D N -0.871 119.536 120.400 0.012 0.000 2.610 166 D HA 0.325 4.964 4.640 -0.000 0.000 0.271 166 D C -0.320 176.000 176.300 0.033 0.000 1.174 166 D CA -0.033 53.978 54.000 0.019 0.000 0.949 166 D CB 1.376 42.186 40.800 0.017 0.000 1.430 166 D HN 0.074 nan 8.370 nan 0.000 0.467 167 T N -1.358 113.222 114.554 0.044 0.000 2.816 167 T HA 0.571 4.921 4.350 -0.000 0.000 0.282 167 T C 0.577 175.308 174.700 0.051 0.000 0.993 167 T CA -0.678 61.457 62.100 0.057 0.000 0.994 167 T CB 0.708 69.621 68.868 0.074 0.000 1.025 167 T HN 0.346 nan 8.240 nan 0.000 0.529 168 S N 0.109 115.843 115.700 0.056 0.000 2.652 168 S HA 0.281 4.750 4.470 -0.000 0.000 0.270 168 S C 1.488 176.121 174.600 0.056 0.000 1.243 168 S CA -0.735 57.495 58.200 0.051 0.000 0.999 168 S CB 0.761 63.993 63.200 0.052 0.000 0.973 168 S HN 0.568 nan 8.310 nan 0.000 0.544 169 V N 1.011 120.953 119.914 0.047 0.000 2.490 169 V HA -0.131 3.989 4.120 -0.000 0.000 0.250 169 V C 2.448 178.573 176.094 0.050 0.000 1.061 169 V CA 2.053 64.384 62.300 0.052 0.000 1.064 169 V CB -1.492 30.353 31.823 0.036 0.000 0.670 169 V HN 0.824 nan 8.190 nan 0.000 0.461 170 E N 0.831 121.052 120.200 0.035 0.000 2.017 170 E HA -0.150 4.199 4.350 -0.000 0.000 0.193 170 E C 2.379 178.990 176.600 0.019 0.000 0.997 170 E CA 1.960 58.360 56.400 -0.001 0.000 0.804 170 E CB -0.892 28.837 29.700 0.049 0.000 0.757 170 E HN 0.588 nan 8.360 nan 0.000 0.448 171 T N 0.960 115.587 114.554 0.122 0.000 2.620 171 T HA -0.254 4.096 4.350 -0.000 0.000 0.267 171 T C 1.807 176.574 174.700 0.111 0.000 1.044 171 T CA 1.812 64.011 62.100 0.164 0.000 1.161 171 T CB -0.310 68.628 68.868 0.117 0.000 0.862 171 T HN 0.131 nan 8.240 nan 0.000 0.438 172 R N 0.492 121.043 120.500 0.085 0.000 2.096 172 R HA 0.005 4.345 4.340 -0.000 0.000 0.235 172 R C 2.810 179.135 176.300 0.040 0.000 1.127 172 R CA 1.096 57.253 56.100 0.095 0.000 0.968 172 R CB -0.232 30.149 30.300 0.134 0.000 0.861 172 R HN 0.400 nan 8.270 nan 0.000 0.440 173 R N -0.376 120.111 120.500 -0.020 0.000 2.080 173 R HA -0.142 4.198 4.340 -0.000 0.000 0.236 173 R C 2.242 178.396 176.300 -0.242 0.000 1.137 173 R CA 1.529 57.500 56.100 -0.215 0.000 0.943 173 R CB -0.369 29.791 30.300 -0.232 0.000 0.846 173 R HN 0.402 nan 8.270 nan 0.000 0.431 174 H N 0.198 119.248 119.070 -0.034 0.000 2.321 174 H HA -0.102 4.454 4.556 -0.000 0.000 0.300 174 H C 2.136 177.442 175.328 -0.038 0.000 1.087 174 H CA 1.086 57.117 56.048 -0.029 0.000 1.319 174 H CB -0.129 29.625 29.762 -0.013 0.000 1.379 174 H HN 0.073 nan 8.280 nan 0.000 0.501 175 L N 0.764 122.040 121.223 0.088 0.000 2.012 175 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 175 L C 2.780 179.640 176.870 -0.016 0.000 1.073 175 L CA 1.625 56.483 54.840 0.030 0.000 0.748 175 L CB -1.573 40.509 42.059 0.038 0.000 0.891 175 L HN 0.201 nan 8.230 nan 0.000 0.431 176 A N -0.532 122.252 122.820 -0.060 0.000 1.908 176 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 176 A C 2.288 179.879 177.584 0.011 0.000 1.181 176 A CA 1.791 53.773 52.037 -0.092 0.000 0.627 176 A CB -0.784 18.044 19.000 -0.287 0.000 0.818 176 A HN 0.373 nan 8.150 nan 0.000 0.445 177 L N -0.016 121.211 121.223 0.007 0.000 2.017 177 L HA -0.136 4.203 4.340 -0.000 0.000 0.208 177 L C 2.210 179.140 176.870 0.099 0.000 1.073 177 L CA 2.708 57.599 54.840 0.084 0.000 0.745 177 L CB -0.639 41.452 42.059 0.052 0.000 0.894 177 L HN 0.421 nan 8.230 nan 0.000 0.432 178 K N -0.844 119.586 120.400 0.050 0.000 2.147 178 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 178 K C 1.921 178.534 176.600 0.023 0.000 1.049 178 K CA 1.103 57.407 56.287 0.029 0.000 0.936 178 K CB -0.132 32.362 32.500 -0.011 0.000 0.722 178 K HN 0.515 nan 8.250 nan 0.000 0.446 179 A N 0.454 123.265 122.820 -0.015 0.000 1.872 179 A HA -0.096 4.224 4.320 -0.000 0.000 0.214 179 A C 1.804 179.382 177.584 -0.010 0.000 1.187 179 A CA 1.031 53.031 52.037 -0.062 0.000 0.614 179 A CB -0.676 18.209 19.000 -0.190 0.000 0.826 179 A HN 0.295 nan 8.150 nan 0.000 0.442 180 F N 0.976 120.954 119.950 0.048 0.000 2.293 180 F HA -0.090 4.437 4.527 -0.000 0.000 0.300 180 F C 2.616 178.451 175.800 0.057 0.000 1.086 180 F CA 1.657 59.686 58.000 0.047 0.000 1.375 180 F CB -0.789 38.226 39.000 0.025 0.000 1.045 180 F HN 0.149 nan 8.300 nan 0.000 0.516 181 T N -2.237 112.456 114.554 0.231 0.000 2.857 181 T HA -0.200 4.149 4.350 -0.000 0.000 0.266 181 T C 1.724 176.529 174.700 0.176 0.000 1.048 181 T CA 1.490 63.688 62.100 0.164 0.000 1.139 181 T CB -0.384 68.555 68.868 0.119 0.000 0.874 181 T HN 0.239 nan 8.240 nan 0.000 0.455 182 H N 1.567 120.668 119.070 0.051 0.000 2.321 182 H HA -0.086 4.470 4.556 -0.000 0.000 0.300 182 H C 2.515 177.882 175.328 0.065 0.000 1.087 182 H CA 2.208 58.275 56.048 0.032 0.000 1.319 182 H CB -0.483 29.267 29.762 -0.019 0.000 1.379 182 H HN 0.446 nan 8.280 nan 0.000 0.501 183 T N -2.293 112.319 114.554 0.097 0.000 2.857 183 T HA 0.042 4.392 4.350 -0.000 0.000 0.266 183 T C 2.286 177.050 174.700 0.107 0.000 1.048 183 T CA 0.972 63.114 62.100 0.069 0.000 1.139 183 T CB -0.744 68.180 68.868 0.094 0.000 0.874 183 T HN 0.368 nan 8.240 nan 0.000 0.455 184 A N 1.912 124.807 122.820 0.126 0.000 1.873 184 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 184 A C 2.478 180.097 177.584 0.058 0.000 1.193 184 A CA 1.942 54.034 52.037 0.091 0.000 0.629 184 A CB -1.009 18.048 19.000 0.096 0.000 0.826 184 A HN 0.619 nan 8.150 nan 0.000 0.447 185 Q N -2.376 117.462 119.800 0.064 0.000 2.119 185 Q HA -0.175 4.164 4.340 -0.000 0.000 0.201 185 Q C 2.015 178.033 176.000 0.029 0.000 0.972 185 Q CA 1.648 57.477 55.803 0.044 0.000 0.847 185 Q CB -0.315 28.456 28.738 0.056 0.000 0.903 185 Q HN 0.796 nan 8.270 nan 0.000 0.433 186 Y N 1.860 122.084 120.300 -0.126 0.000 2.097 186 Y HA -0.282 4.268 4.550 -0.000 0.000 0.282 186 Y C 1.620 177.410 175.900 -0.184 0.000 1.152 186 Y CA 2.021 60.023 58.100 -0.162 0.000 1.136 186 Y CB -0.123 38.207 38.460 -0.217 0.000 0.975 186 Y HN 0.114 nan 8.280 nan 0.000 0.498 187 D N -0.467 119.865 120.400 -0.113 0.000 2.224 187 D HA -0.082 4.558 4.640 -0.000 0.000 0.205 187 D C 2.202 178.376 176.300 -0.210 0.000 0.965 187 D CA 1.129 54.994 54.000 -0.225 0.000 0.852 187 D CB -0.500 40.236 40.800 -0.105 0.000 0.947 187 D HN 0.448 nan 8.370 nan 0.000 0.494 188 A N 0.869 123.619 122.820 -0.117 0.000 1.902 188 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 188 A C 2.271 179.787 177.584 -0.112 0.000 1.181 188 A CA 2.056 54.041 52.037 -0.086 0.000 0.623 188 A CB -0.695 18.291 19.000 -0.024 0.000 0.818 188 A HN 0.236 nan 8.150 nan 0.000 0.443 189 A N -0.365 122.383 122.820 -0.120 0.000 1.968 189 A HA 0.029 4.348 4.320 -0.000 0.000 0.217 189 A C 2.086 179.652 177.584 -0.030 0.000 1.169 189 A CA 1.297 53.306 52.037 -0.046 0.000 0.638 189 A CB -0.507 18.500 19.000 0.012 0.000 0.812 189 A HN 0.502 nan 8.150 nan 0.000 0.446 190 I N -0.183 120.174 120.570 -0.355 0.000 2.202 190 I HA -0.210 3.960 4.170 -0.000 0.000 0.242 190 I C 2.657 178.607 176.117 -0.278 0.000 1.091 190 I CA 1.376 62.371 61.300 -0.509 0.000 1.368 190 I CB -0.392 37.028 38.000 -0.967 0.000 1.058 190 I HN 0.237 nan 8.210 nan 0.000 0.410 191 S N 0.465 115.999 115.700 -0.276 0.000 2.365 191 S HA -0.274 4.196 4.470 -0.000 0.000 0.225 191 S C 1.706 176.274 174.600 -0.055 0.000 1.039 191 S CA 1.873 59.981 58.200 -0.152 0.000 1.033 191 S CB -0.459 62.663 63.200 -0.131 0.000 0.887 191 S HN 0.462 nan 8.310 nan 0.000 0.447 192 D N 0.145 120.491 120.400 -0.089 0.000 2.104 192 D HA -0.150 4.490 4.640 -0.000 0.000 0.194 192 D C 1.753 178.087 176.300 0.056 0.000 0.994 192 D CA 1.126 55.060 54.000 -0.109 0.000 0.830 192 D CB -0.338 40.397 40.800 -0.109 0.000 0.959 192 D HN 0.416 nan 8.370 nan 0.000 0.452 193 Y N 0.028 120.356 120.300 0.047 0.000 2.145 193 Y HA -0.181 4.369 4.550 -0.000 0.000 0.286 193 Y C 2.076 178.057 175.900 0.135 0.000 1.145 193 Y CA 1.315 59.491 58.100 0.127 0.000 1.148 193 Y CB -0.739 37.918 38.460 0.329 0.000 0.981 193 Y HN -0.077 nan 8.280 nan 0.000 0.507 194 F N 0.323 120.183 119.950 -0.151 0.000 2.171 194 F HA -0.168 4.359 4.527 -0.000 0.000 0.300 194 F C 2.547 178.232 175.800 -0.192 0.000 1.090 194 F CA 1.525 59.370 58.000 -0.259 0.000 1.293 194 F CB -0.834 38.166 39.000 0.001 0.000 1.013 194 F HN -0.007 nan 8.300 nan 0.000 0.486 195 R N 0.193 120.736 120.500 0.072 0.000 2.073 195 R HA -0.170 4.170 4.340 -0.000 0.000 0.234 195 R C 2.153 178.423 176.300 -0.050 0.000 1.134 195 R CA 1.639 57.748 56.100 0.015 0.000 0.952 195 R CB -0.315 29.969 30.300 -0.026 0.000 0.850 195 R HN 0.234 nan 8.270 nan 0.000 0.433 196 K N 0.086 120.429 120.400 -0.096 0.000 2.057 196 K HA -0.101 4.218 4.320 -0.000 0.000 0.206 196 K C 2.056 178.540 176.600 -0.193 0.000 1.050 196 K CA 1.044 57.269 56.287 -0.104 0.000 0.935 196 K CB 0.093 32.556 32.500 -0.061 0.000 0.715 196 K HN 0.066 nan 8.250 nan 0.000 0.439 197 E N -0.267 119.689 120.200 -0.407 0.000 2.072 197 E HA -0.117 4.232 4.350 -0.000 0.000 0.190 197 E C 1.553 177.927 176.600 -0.376 0.000 0.982 197 E CA 1.362 57.423 56.400 -0.565 0.000 0.803 197 E CB 0.052 29.090 29.700 -1.104 0.000 0.755 197 E HN 0.384 nan 8.360 nan 0.000 0.453 198 Y N -1.021 119.153 120.300 -0.209 0.000 2.462 198 Y HA 0.265 4.815 4.550 -0.000 0.000 0.253 198 Y C 1.684 177.528 175.900 -0.094 0.000 1.095 198 Y CA -0.225 57.775 58.100 -0.166 0.000 1.283 198 Y CB 0.631 38.972 38.460 -0.199 0.000 1.138 198 Y HN -0.154 nan 8.280 nan 0.000 0.522 199 S N -0.092 115.650 115.700 0.070 0.000 2.855 199 S HA 0.152 4.622 4.470 -0.000 0.000 0.249 199 S C 0.065 174.675 174.600 0.016 0.000 1.033 199 S CA -0.558 57.671 58.200 0.049 0.000 1.038 199 S CB -0.271 62.968 63.200 0.066 0.000 0.960 199 S HN 0.193 nan 8.310 nan 0.000 0.548 200 K N 0.898 121.297 120.400 -0.002 0.000 2.453 200 K HA 0.307 4.627 4.320 -0.000 0.000 0.280 200 K C 1.200 177.795 176.600 -0.008 0.000 1.045 200 K CA 1.365 57.646 56.287 -0.010 0.000 1.059 200 K CB -0.268 32.219 32.500 -0.021 0.000 0.901 200 K HN 0.338 nan 8.250 nan 0.000 0.475 201 G N 2.182 110.976 108.800 -0.010 0.000 2.184 201 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.264 201 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.264 201 G C 0.463 175.351 174.900 -0.019 0.000 0.975 201 G CA 0.362 45.450 45.100 -0.019 0.000 0.642 201 G HN 0.465 nan 8.290 nan 0.000 0.536 202 V N 0.578 120.488 119.914 -0.008 0.000 2.868 202 V HA 0.238 4.358 4.120 -0.000 0.000 0.227 202 V C 2.384 178.477 176.094 -0.002 0.000 1.136 202 V CA 2.332 64.628 62.300 -0.006 0.000 1.206 202 V CB 0.289 32.114 31.823 0.004 0.000 0.997 202 V HN 0.949 nan 8.190 nan 0.000 0.505 203 S N -1.326 114.386 115.700 0.020 0.000 2.559 203 S HA 0.237 4.707 4.470 -0.000 0.000 0.226 203 S C 0.447 175.089 174.600 0.069 0.000 1.000 203 S CA -0.151 58.073 58.200 0.040 0.000 0.948 203 S CB 0.375 63.611 63.200 0.061 0.000 0.870 203 S HN 0.448 nan 8.310 nan 0.000 0.497 204 Q N 0.702 120.531 119.800 0.049 0.000 2.331 204 Q HA 0.577 4.917 4.340 -0.000 0.000 0.272 204 Q C -2.377 173.641 176.000 0.031 0.000 1.062 204 Q CA -0.680 55.164 55.803 0.069 0.000 0.806 204 Q CB 2.266 31.030 28.738 0.043 0.000 1.312 204 Q HN 0.415 nan 8.270 nan 0.000 0.431 205 L N 5.543 126.787 121.223 0.034 0.000 2.406 205 L HA 0.566 4.906 4.340 -0.000 0.000 0.270 205 L C -2.661 174.218 176.870 0.015 0.000 0.982 205 L CA -1.470 53.372 54.840 0.002 0.000 0.843 205 L CB 1.960 44.001 42.059 -0.030 0.000 1.225 205 L HN 0.413 nan 8.230 nan 0.000 0.412 206 P HA 0.278 nan 4.420 nan 0.000 0.269 206 P C -1.085 176.217 177.300 0.003 0.000 1.209 206 P CA 0.089 63.199 63.100 0.016 0.000 0.776 206 P CB 0.640 32.343 31.700 0.006 0.000 0.876 207 L N 2.410 123.642 121.223 0.015 0.000 2.323 207 L HA 0.490 4.829 4.340 -0.000 0.000 0.265 207 L C 2.008 178.851 176.870 -0.044 0.000 1.012 207 L CA -0.934 53.897 54.840 -0.016 0.000 0.820 207 L CB 1.966 44.041 42.059 0.028 0.000 1.334 207 L HN 0.372 nan 8.230 nan 0.000 0.427 208 R N 1.046 121.456 120.500 -0.150 0.000 2.080 208 R HA -0.086 4.254 4.340 -0.000 0.000 0.236 208 R C -0.261 175.973 176.300 -0.110 0.000 1.137 208 R CA 1.466 57.447 56.100 -0.199 0.000 0.943 208 R CB -0.449 29.622 30.300 -0.381 0.000 0.846 208 R HN 0.593 nan 8.270 nan 0.000 0.431 209 Y N -2.976 117.346 120.300 0.036 0.000 2.905 209 Y HA 0.691 5.241 4.550 -0.000 0.000 0.322 209 Y C 0.493 176.388 175.900 -0.007 0.000 1.455 209 Y CA -1.142 56.956 58.100 -0.003 0.000 1.083 209 Y CB 0.093 38.532 38.460 -0.035 0.000 1.473 209 Y HN -0.024 nan 8.280 nan 0.000 0.449 210 G N 0.121 108.996 108.800 0.125 0.000 3.229 210 G HA2 0.220 4.180 3.960 -0.000 0.000 0.165 210 G HA3 0.220 4.180 3.960 -0.000 0.000 0.165 210 G C 0.457 175.180 174.900 -0.296 0.000 1.753 210 G CA 0.004 44.909 45.100 -0.325 0.000 1.054 210 G HN 0.654 nan 8.290 nan 0.000 0.544 211 M N 0.066 119.343 119.600 -0.539 0.000 2.296 211 M HA 0.169 4.649 4.480 -0.000 0.000 0.265 211 M C -0.075 176.203 176.300 -0.036 0.000 1.064 211 M CA 0.804 55.970 55.300 -0.223 0.000 1.109 211 M CB -0.112 32.357 32.600 -0.218 0.000 1.396 211 M HN 0.261 nan 8.290 nan 0.000 0.430 212 N N -1.941 116.673 118.700 -0.143 0.000 2.331 212 N HA 0.266 5.006 4.740 -0.000 0.000 0.280 212 N C -2.460 172.762 175.510 -0.480 0.000 1.155 212 N CA -1.192 51.748 53.050 -0.184 0.000 0.822 212 N CB 1.344 39.782 38.487 -0.082 0.000 1.619 212 N HN -0.302 nan 8.380 nan 0.000 0.476 213 P HA -0.168 nan 4.420 nan 0.000 0.217 213 P C 0.952 177.966 177.300 -0.476 0.000 1.148 213 P CA 1.475 63.876 63.100 -1.165 0.000 0.828 213 P CB -0.055 31.237 31.700 -0.679 0.000 0.783 214 H N -1.774 117.133 119.070 -0.272 0.000 2.547 214 H HA 0.154 4.710 4.556 -0.000 0.000 0.266 214 H C 0.065 175.342 175.328 -0.086 0.000 0.988 214 H CA 0.197 56.162 56.048 -0.137 0.000 1.147 214 H CB -0.455 29.247 29.762 -0.100 0.000 1.365 214 H HN 0.215 nan 8.280 nan 0.000 0.589 215 Q N 2.161 121.669 119.800 -0.486 0.000 2.465 215 Q HA 0.365 4.705 4.340 -0.000 0.000 0.237 215 Q C -0.595 175.342 176.000 -0.105 0.000 1.051 215 Q CA -0.546 55.066 55.803 -0.317 0.000 0.874 215 Q CB 1.517 30.003 28.738 -0.419 0.000 1.207 215 Q HN 0.454 nan 8.270 nan 0.000 0.508 216 S N 1.097 116.775 115.700 -0.036 0.000 2.556 216 S HA 0.777 5.247 4.470 -0.000 0.000 0.271 216 S C -2.371 172.242 174.600 0.022 0.000 1.135 216 S CA -1.212 57.006 58.200 0.029 0.000 0.858 216 S CB 1.125 64.369 63.200 0.072 0.000 1.114 216 S HN 0.399 nan 8.310 nan 0.000 0.468 217 P HA 0.807 nan 4.420 nan 0.000 0.279 217 P C -0.992 176.350 177.300 0.070 0.000 1.276 217 P CA -0.584 62.550 63.100 0.057 0.000 0.801 217 P CB 0.711 32.442 31.700 0.052 0.000 1.127 218 A N 0.123 123.002 122.820 0.099 0.000 2.587 218 A HA 0.666 4.986 4.320 -0.000 0.000 0.293 218 A C -1.259 176.417 177.584 0.153 0.000 1.087 218 A CA -0.570 51.562 52.037 0.159 0.000 0.692 218 A CB 1.841 20.975 19.000 0.223 0.000 1.291 218 A HN 0.755 nan 8.150 nan 0.000 0.407 219 Q N 0.130 120.041 119.800 0.186 0.000 2.482 219 Q HA 0.729 5.069 4.340 -0.000 0.000 0.286 219 Q C -1.920 174.146 176.000 0.110 0.000 1.007 219 Q CA -0.854 55.033 55.803 0.140 0.000 0.801 219 Q CB 1.644 30.479 28.738 0.161 0.000 1.455 219 Q HN 0.881 nan 8.270 nan 0.000 0.398 220 L N 2.496 123.743 121.223 0.041 0.000 2.322 220 L HA 0.727 5.067 4.340 -0.000 0.000 0.279 220 L C -1.531 175.384 176.870 0.074 0.000 1.036 220 L CA -0.304 54.512 54.840 -0.039 0.000 0.807 220 L CB 1.289 43.275 42.059 -0.123 0.000 1.226 220 L HN 0.754 nan 8.230 nan 0.000 0.433 221 Y N 0.948 121.221 120.300 -0.044 0.000 2.655 221 Y HA 0.811 5.361 4.550 -0.000 0.000 0.336 221 Y C -0.995 174.887 175.900 -0.029 0.000 1.154 221 Y CA -0.970 57.112 58.100 -0.029 0.000 1.055 221 Y CB 1.418 39.877 38.460 -0.001 0.000 1.295 221 Y HN 0.642 nan 8.280 nan 0.000 0.465 222 T N -0.311 114.363 114.554 0.201 0.000 2.906 222 T HA 0.377 4.727 4.350 -0.000 0.000 0.295 222 T C 0.376 175.218 174.700 0.238 0.000 1.061 222 T CA -0.046 62.129 62.100 0.125 0.000 1.000 222 T CB 1.315 70.203 68.868 0.033 0.000 1.103 222 T HN 1.022 nan 8.240 nan 0.000 0.486 223 T N 0.767 115.432 114.554 0.186 0.000 3.129 223 T HA 0.302 4.652 4.350 -0.000 0.000 0.251 223 T C 0.837 175.599 174.700 0.103 0.000 1.117 223 T CA -0.087 62.104 62.100 0.153 0.000 1.034 223 T CB -0.090 68.859 68.868 0.135 0.000 0.968 223 T HN 0.460 nan 8.240 nan 0.000 0.526 224 R N 1.482 122.042 120.500 0.099 0.000 2.577 224 R HA 0.288 4.627 4.340 -0.000 0.000 0.269 224 R C -1.787 174.554 176.300 0.068 0.000 1.084 224 R CA -1.981 54.168 56.100 0.082 0.000 1.163 224 R CB -0.101 30.258 30.300 0.098 0.000 1.100 224 R HN 0.001 nan 8.270 nan 0.000 0.547 225 P HA -0.082 nan 4.420 nan 0.000 0.222 225 P C -0.446 176.874 177.300 0.034 0.000 1.147 225 P CA 1.364 64.490 63.100 0.044 0.000 0.790 225 P CB 0.350 32.071 31.700 0.035 0.000 0.780 226 K N -0.954 119.461 120.400 0.025 0.000 2.542 226 K HA 0.343 4.663 4.320 -0.000 0.000 0.259 226 K C -1.090 175.492 176.600 -0.030 0.000 0.932 226 K CA -0.780 55.507 56.287 -0.000 0.000 0.820 226 K CB 1.272 33.768 32.500 -0.007 0.000 1.345 226 K HN -0.190 nan 8.250 nan 0.000 0.432 227 L N 4.932 126.118 121.223 -0.062 0.000 2.426 227 L HA 0.211 4.550 4.340 -0.000 0.000 0.271 227 L C -1.242 175.514 176.870 -0.191 0.000 1.169 227 L CA -1.213 53.544 54.840 -0.139 0.000 0.836 227 L CB 0.736 42.716 42.059 -0.132 0.000 1.112 227 L HN 0.658 nan 8.230 nan 0.000 0.465 228 P HA -0.029 nan 4.420 nan 0.000 0.236 228 P C -0.045 177.056 177.300 -0.331 0.000 1.177 228 P CA 0.460 63.347 63.100 -0.355 0.000 0.773 228 P CB 0.407 31.686 31.700 -0.702 0.000 0.878 229 L N 1.568 122.594 121.223 -0.327 0.000 2.262 229 L HA 0.379 4.718 4.340 -0.000 0.000 0.288 229 L C -0.117 176.641 176.870 -0.186 0.000 1.035 229 L CA -0.231 54.438 54.840 -0.285 0.000 0.820 229 L CB 1.176 43.051 42.059 -0.306 0.000 1.204 229 L HN -0.147 nan 8.230 nan 0.000 0.424 230 T N 1.692 116.159 114.554 -0.144 0.000 2.895 230 T HA 0.612 4.962 4.350 -0.000 0.000 0.283 230 T C -0.228 174.427 174.700 -0.076 0.000 1.014 230 T CA -0.838 61.205 62.100 -0.095 0.000 1.037 230 T CB 1.618 70.444 68.868 -0.070 0.000 1.006 230 T HN 0.241 nan 8.240 nan 0.000 0.468 231 V N 3.716 123.590 119.914 -0.068 0.000 2.368 231 V HA 0.154 4.274 4.120 -0.000 0.000 0.266 231 V C 1.130 177.185 176.094 -0.064 0.000 1.045 231 V CA -0.400 61.860 62.300 -0.065 0.000 0.899 231 V CB 0.655 32.440 31.823 -0.064 0.000 1.006 231 V HN 0.932 nan 8.190 nan 0.000 0.470 232 V N 3.934 123.801 119.914 -0.078 0.000 2.575 232 V HA 0.122 4.241 4.120 -0.000 0.000 0.242 232 V C 0.752 176.782 176.094 -0.107 0.000 1.045 232 V CA 0.949 63.192 62.300 -0.096 0.000 1.065 232 V CB -0.231 31.508 31.823 -0.140 0.000 0.717 232 V HN 0.888 nan 8.190 nan 0.000 0.467 233 N N -1.764 116.862 118.700 -0.124 0.000 2.357 233 N HA 0.556 5.296 4.740 -0.000 0.000 0.284 233 N C -0.015 175.436 175.510 -0.098 0.000 1.236 233 N CA 0.620 53.610 53.050 -0.101 0.000 0.774 233 N CB 2.033 40.459 38.487 -0.102 0.000 1.534 233 N HN 0.434 nan 8.380 nan 0.000 0.478 234 G N 0.624 109.382 108.800 -0.071 0.000 2.569 234 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.259 234 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.259 234 G C -0.785 174.075 174.900 -0.066 0.000 1.263 234 G CA 0.045 45.103 45.100 -0.069 0.000 0.928 234 G HN 1.106 nan 8.290 nan 0.000 0.572 235 S N 1.042 116.702 115.700 -0.066 0.000 2.652 235 S HA 0.660 5.130 4.470 -0.000 0.000 0.273 235 S C -2.681 171.882 174.600 -0.061 0.000 1.172 235 S CA 0.057 58.220 58.200 -0.061 0.000 1.009 235 S CB 1.954 65.120 63.200 -0.056 0.000 1.094 235 S HN 0.837 nan 8.310 nan 0.000 0.471 236 P HA 0.432 nan 4.420 nan 0.000 0.277 236 P C 0.346 177.602 177.300 -0.073 0.000 1.240 236 P CA -0.181 62.892 63.100 -0.045 0.000 0.798 236 P CB 0.765 32.428 31.700 -0.060 0.000 0.979 237 G N 0.201 108.963 108.800 -0.063 0.000 2.557 237 G HA2 0.256 4.216 3.960 -0.000 0.000 0.302 237 G HA3 0.256 4.216 3.960 -0.000 0.000 0.302 237 G C 0.122 175.022 174.900 -0.000 0.000 1.311 237 G CA -0.657 44.399 45.100 -0.072 0.000 1.030 237 G HN 0.415 nan 8.290 nan 0.000 0.509 238 F N -0.130 119.767 119.950 -0.089 0.000 2.060 238 F HA 0.001 4.527 4.527 -0.000 0.000 0.295 238 F C 2.607 178.384 175.800 -0.039 0.000 1.120 238 F CA 1.424 59.395 58.000 -0.048 0.000 1.205 238 F CB -0.202 38.799 39.000 0.002 0.000 0.986 238 F HN 0.246 nan 8.300 nan 0.000 0.470 239 I N 0.587 121.385 120.570 0.380 0.000 2.248 239 I HA -0.399 3.770 4.170 -0.000 0.000 0.248 239 I C 2.036 178.161 176.117 0.013 0.000 1.107 239 I CA 1.920 63.349 61.300 0.216 0.000 1.373 239 I CB -0.954 37.182 38.000 0.226 0.000 1.055 239 I HN 0.304 nan 8.210 nan 0.000 0.418 240 N N 0.891 119.570 118.700 -0.036 0.000 2.060 240 N HA -0.223 4.517 4.740 -0.000 0.000 0.195 240 N C 1.907 177.084 175.510 -0.554 0.000 1.028 240 N CA 1.292 54.203 53.050 -0.233 0.000 0.861 240 N CB -0.180 38.244 38.487 -0.106 0.000 1.029 240 N HN 0.305 nan 8.380 nan 0.000 0.428 241 L N 0.168 121.159 121.223 -0.387 0.000 2.109 241 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 241 L C 2.483 179.139 176.870 -0.356 0.000 1.086 241 L CA 0.577 55.167 54.840 -0.416 0.000 0.760 241 L CB -0.480 41.359 42.059 -0.367 0.000 0.910 241 L HN 0.381 nan 8.230 nan 0.000 0.437 242 C N 0.109 119.247 119.300 -0.271 0.000 2.393 242 C HA -0.201 4.258 4.460 -0.000 0.000 0.276 242 C C 2.511 177.452 174.990 -0.082 0.000 1.215 242 C CA 0.799 59.741 59.018 -0.127 0.000 1.743 242 C CB -0.777 26.965 27.740 0.003 0.000 2.044 242 C HN 0.560 nan 8.230 nan 0.000 0.464 243 D N 0.726 121.064 120.400 -0.104 0.000 2.092 243 D HA -0.111 4.529 4.640 -0.000 0.000 0.193 243 D C 2.327 178.370 176.300 -0.428 0.000 0.994 243 D CA 1.891 55.838 54.000 -0.088 0.000 0.828 243 D CB -0.613 40.191 40.800 0.007 0.000 0.963 243 D HN 0.514 nan 8.370 nan 0.000 0.450 244 A N 0.742 123.177 122.820 -0.643 0.000 1.877 244 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 244 A C 2.471 179.883 177.584 -0.286 0.000 1.186 244 A CA 1.051 52.735 52.037 -0.588 0.000 0.620 244 A CB -0.816 17.700 19.000 -0.807 0.000 0.822 244 A HN 0.200 nan 8.150 nan 0.000 0.443 245 L N -0.368 120.704 121.223 -0.253 0.000 2.109 245 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 245 L C 2.369 179.180 176.870 -0.099 0.000 1.086 245 L CA 0.970 55.742 54.840 -0.113 0.000 0.760 245 L CB -0.542 41.452 42.059 -0.108 0.000 0.910 245 L HN 0.425 nan 8.230 nan 0.000 0.437 246 N N 0.313 118.905 118.700 -0.179 0.000 2.135 246 N HA -0.124 4.615 4.740 -0.000 0.000 0.186 246 N C 1.949 177.078 175.510 -0.635 0.000 1.027 246 N CA 1.454 54.373 53.050 -0.218 0.000 0.849 246 N CB -0.101 38.478 38.487 0.154 0.000 1.002 246 N HN 0.280 nan 8.380 nan 0.000 0.425 247 A N 1.824 124.004 122.820 -1.067 0.000 1.908 247 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 247 A C 2.005 179.365 177.584 -0.374 0.000 1.181 247 A CA 1.093 52.530 52.037 -1.000 0.000 0.627 247 A CB -1.173 17.322 19.000 -0.841 0.000 0.818 247 A HN 0.631 nan 8.150 nan 0.000 0.445 248 W N 0.689 121.764 121.300 -0.375 0.000 2.358 248 W HA -0.226 4.434 4.660 -0.000 0.000 0.303 248 W C 2.000 178.374 176.519 -0.243 0.000 1.208 248 W CA 1.969 59.177 57.345 -0.229 0.000 1.274 248 W CB -0.313 29.046 29.460 -0.168 0.000 1.138 248 W HN 0.526 nan 8.180 nan 0.000 0.515 249 Q N 0.671 120.195 119.800 -0.460 0.000 2.046 249 Q HA -0.231 4.109 4.340 -0.000 0.000 0.200 249 Q C 2.537 178.133 176.000 -0.674 0.000 0.975 249 Q CA 1.831 57.285 55.803 -0.582 0.000 0.836 249 Q CB -0.695 27.716 28.738 -0.544 0.000 0.896 249 Q HN 0.352 nan 8.270 nan 0.000 0.428 250 L N 0.821 121.539 121.223 -0.840 0.000 1.963 250 L HA -0.258 4.082 4.340 -0.000 0.000 0.220 250 L C 2.450 179.161 176.870 -0.265 0.000 1.076 250 L CA 1.963 56.545 54.840 -0.430 0.000 0.772 250 L CB -0.479 41.472 42.059 -0.179 0.000 0.892 250 L HN 0.278 nan 8.230 nan 0.000 0.435 251 V N -2.495 117.234 119.914 -0.308 0.000 2.407 251 V HA -0.275 3.844 4.120 -0.000 0.000 0.248 251 V C 2.489 178.354 176.094 -0.383 0.000 1.055 251 V CA 2.125 64.263 62.300 -0.269 0.000 1.049 251 V CB -0.906 30.792 31.823 -0.208 0.000 0.662 251 V HN 0.535 nan 8.190 nan 0.000 0.455 252 K N 0.445 120.458 120.400 -0.645 0.000 2.057 252 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 252 K C 2.211 178.630 176.600 -0.302 0.000 1.049 252 K CA 2.029 57.955 56.287 -0.602 0.000 0.931 252 K CB -0.223 31.769 32.500 -0.846 0.000 0.714 252 K HN 0.678 nan 8.250 nan 0.000 0.440 253 E N 0.489 120.546 120.200 -0.239 0.000 2.107 253 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 253 E C 2.088 178.645 176.600 -0.073 0.000 0.982 253 E CA 0.914 57.249 56.400 -0.107 0.000 0.809 253 E CB 0.000 29.686 29.700 -0.023 0.000 0.756 253 E HN 0.281 nan 8.360 nan 0.000 0.459 254 L N 1.082 122.259 121.223 -0.078 0.000 2.012 254 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 254 L C 2.660 179.501 176.870 -0.049 0.000 1.073 254 L CA 1.310 56.126 54.840 -0.041 0.000 0.748 254 L CB -0.299 41.743 42.059 -0.028 0.000 0.891 254 L HN 0.058 nan 8.230 nan 0.000 0.431 255 K N -0.209 120.140 120.400 -0.084 0.000 2.097 255 K HA -0.193 4.127 4.320 -0.000 0.000 0.205 255 K C 2.091 178.659 176.600 -0.055 0.000 1.050 255 K CA 1.233 57.479 56.287 -0.068 0.000 0.938 255 K CB 0.070 32.517 32.500 -0.088 0.000 0.718 255 K HN 0.375 nan 8.250 nan 0.000 0.442 256 Q N -0.312 119.448 119.800 -0.068 0.000 2.084 256 Q HA -0.117 4.222 4.340 -0.000 0.000 0.202 256 Q C 2.042 178.023 176.000 -0.030 0.000 0.978 256 Q CA 1.531 57.306 55.803 -0.048 0.000 0.844 256 Q CB -0.070 28.635 28.738 -0.055 0.000 0.898 256 Q HN 0.371 nan 8.270 nan 0.000 0.426 257 A N 0.339 123.143 122.820 -0.026 0.000 1.897 257 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 257 A C 1.765 179.348 177.584 -0.001 0.000 1.181 257 A CA 1.073 53.105 52.037 -0.008 0.000 0.620 257 A CB -0.133 18.869 19.000 0.004 0.000 0.821 257 A HN 0.298 nan 8.150 nan 0.000 0.443 258 L N -2.126 119.095 121.223 -0.005 0.000 2.731 258 L HA 0.326 4.666 4.340 -0.000 0.000 0.240 258 L C 1.496 178.364 176.870 -0.004 0.000 1.120 258 L CA 0.390 55.230 54.840 -0.000 0.000 0.913 258 L CB 0.186 42.248 42.059 0.004 0.000 1.213 258 L HN 0.502 nan 8.230 nan 0.000 0.515 259 G N 1.654 110.448 108.800 -0.010 0.000 2.168 259 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.257 259 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.257 259 G C 0.162 175.059 174.900 -0.005 0.000 0.997 259 G CA 0.426 45.520 45.100 -0.009 0.000 0.708 259 G HN 0.341 nan 8.290 nan 0.000 0.520 260 I N -0.062 120.506 120.570 -0.003 0.000 2.509 260 I HA 0.331 4.501 4.170 -0.000 0.000 0.293 260 I C -2.208 173.910 176.117 0.001 0.000 1.020 260 I CA -2.751 58.551 61.300 0.004 0.000 1.088 260 I CB 2.083 40.091 38.000 0.012 0.000 1.267 260 I HN -0.235 nan 8.210 nan 0.000 0.430 261 P HA -0.013 nan 4.420 nan 0.000 0.261 261 P C -0.830 176.482 177.300 0.020 0.000 1.165 261 P CA 0.362 63.468 63.100 0.010 0.000 0.759 261 P CB 0.453 32.166 31.700 0.023 0.000 0.772 262 A N 2.592 125.417 122.820 0.009 0.000 2.413 262 A HA 0.878 5.198 4.320 -0.000 0.000 0.307 262 A C -0.914 176.699 177.584 0.049 0.000 1.087 262 A CA -0.323 51.726 52.037 0.021 0.000 0.750 262 A CB 1.872 20.863 19.000 -0.014 0.000 1.296 262 A HN 0.533 nan 8.150 nan 0.000 0.423 263 A N -0.250 122.628 122.820 0.098 0.000 2.566 263 A HA 1.006 5.325 4.320 -0.000 0.000 0.292 263 A C -0.468 177.234 177.584 0.196 0.000 1.112 263 A CA -0.063 52.074 52.037 0.166 0.000 0.707 263 A CB 1.430 20.601 19.000 0.284 0.000 1.302 263 A HN 2.604 nan 8.150 nan 0.000 0.409 264 A N 0.052 123.028 122.820 0.259 0.000 2.587 264 A HA 0.853 5.173 4.320 -0.000 0.000 0.293 264 A C -0.525 177.310 177.584 0.418 0.000 1.087 264 A CA 0.124 52.352 52.037 0.317 0.000 0.692 264 A CB 1.371 20.570 19.000 0.331 0.000 1.291 264 A HN 2.168 nan 8.150 nan 0.000 0.407 265 S N 0.395 116.355 115.700 0.432 0.000 2.659 265 S HA 0.773 5.243 4.470 -0.000 0.000 0.312 265 S C -1.147 173.729 174.600 0.461 0.000 1.114 265 S CA -0.401 58.066 58.200 0.446 0.000 1.063 265 S CB 0.551 63.970 63.200 0.366 0.000 0.996 265 S HN 0.483 nan 8.310 nan 0.000 0.478 266 F N 1.922 122.008 119.950 0.226 0.000 2.425 266 F HA 0.760 5.286 4.527 -0.000 0.000 0.331 266 F C 0.332 176.247 175.800 0.192 0.000 1.085 266 F CA -0.622 57.500 58.000 0.202 0.000 1.028 266 F CB 2.056 41.174 39.000 0.198 0.000 1.177 266 F HN 0.653 nan 8.300 nan 0.000 0.487 267 K N 1.760 122.280 120.400 0.199 0.000 2.535 267 K HA 0.333 4.653 4.320 -0.000 0.000 0.250 267 K C -0.703 176.008 176.600 0.185 0.000 0.948 267 K CA -0.394 55.992 56.287 0.165 0.000 0.796 267 K CB 0.423 33.019 32.500 0.160 0.000 1.216 267 K HN 0.589 nan 8.250 nan 0.000 0.432 268 H N 2.966 122.145 119.070 0.182 0.000 2.713 268 H HA -0.144 4.412 4.556 -0.000 0.000 0.311 268 H C -0.261 175.161 175.328 0.157 0.000 1.175 268 H CA 1.161 57.303 56.048 0.156 0.000 1.143 268 H CB -1.370 28.463 29.762 0.118 0.000 1.434 268 H HN 0.630 nan 8.280 nan 0.000 0.418 269 V N -1.581 118.529 119.914 0.327 0.000 4.349 269 V HA -0.311 3.809 4.120 -0.000 0.000 0.247 269 V C 0.618 176.858 176.094 0.244 0.000 0.442 269 V CA 1.611 64.150 62.300 0.397 0.000 0.865 269 V CB -1.838 30.173 31.823 0.313 0.000 0.887 269 V HN 0.597 nan 8.190 nan 0.000 1.302 270 S N 0.015 115.650 115.700 -0.108 0.000 2.564 270 S HA 0.716 5.186 4.470 -0.000 0.000 0.274 270 S C -2.814 171.190 174.600 -0.992 0.000 1.124 270 S CA -1.028 56.929 58.200 -0.404 0.000 0.869 270 S CB 3.152 66.290 63.200 -0.103 0.000 1.105 270 S HN 0.238 nan 8.310 nan 0.000 0.472 271 P HA 0.284 nan 4.420 nan 0.000 0.276 271 P C -0.019 177.149 177.300 -0.221 0.000 1.230 271 P CA -0.239 62.441 63.100 -0.701 0.000 0.776 271 P CB 0.915 32.469 31.700 -0.243 0.000 0.888 272 A N 3.403 126.179 122.820 -0.073 0.000 1.970 272 A HA 0.360 4.680 4.320 -0.000 0.000 0.216 272 A C 1.118 178.735 177.584 0.055 0.000 1.170 272 A CA 1.517 53.574 52.037 0.033 0.000 0.645 272 A CB -0.717 18.340 19.000 0.095 0.000 0.816 272 A HN 0.668 nan 8.150 nan 0.000 0.447 273 G N -2.883 105.962 108.800 0.075 0.000 2.677 273 G HA2 0.679 4.639 3.960 -0.000 0.000 0.291 273 G HA3 0.679 4.639 3.960 -0.000 0.000 0.291 273 G C -1.281 173.691 174.900 0.120 0.000 1.435 273 G CA 0.113 45.261 45.100 0.080 0.000 0.826 273 G HN 1.207 nan 8.290 nan 0.000 0.491 274 A N -0.925 121.954 122.820 0.099 0.000 2.577 274 A HA 1.070 5.390 4.320 -0.000 0.000 0.297 274 A C -0.528 177.105 177.584 0.082 0.000 1.060 274 A CA 0.226 52.337 52.037 0.122 0.000 0.697 274 A CB 1.376 20.460 19.000 0.140 0.000 1.281 274 A HN 2.597 nan 8.150 nan 0.000 0.402 275 A N 0.435 123.307 122.820 0.087 0.000 2.605 275 A HA 0.783 5.103 4.320 -0.000 0.000 0.294 275 A C -0.498 177.125 177.584 0.064 0.000 1.062 275 A CA 0.047 52.123 52.037 0.066 0.000 0.682 275 A CB 0.554 19.595 19.000 0.070 0.000 1.278 275 A HN 2.323 nan 8.150 nan 0.000 0.410 276 V N -0.482 119.461 119.914 0.050 0.000 2.837 276 V HA 0.815 4.935 4.120 -0.000 0.000 0.310 276 V C 0.883 177.011 176.094 0.057 0.000 1.059 276 V CA 0.035 62.361 62.300 0.044 0.000 1.004 276 V CB 1.425 33.264 31.823 0.027 0.000 1.045 276 V HN 1.783 nan 8.190 nan 0.000 0.465 277 G N 3.788 112.621 108.800 0.056 0.000 3.090 277 G HA2 0.263 4.222 3.960 -0.000 0.000 0.259 277 G HA3 0.263 4.222 3.960 -0.000 0.000 0.259 277 G C 0.198 175.135 174.900 0.063 0.000 0.797 277 G CA -0.327 44.812 45.100 0.065 0.000 2.032 277 G HN 0.530 nan 8.290 nan 0.000 0.614 278 I N 1.562 122.174 120.570 0.070 0.000 2.533 278 I HA 0.152 4.322 4.170 -0.000 0.000 0.284 278 I C -1.818 174.354 176.117 0.092 0.000 1.109 278 I CA -3.236 58.107 61.300 0.072 0.000 1.412 278 I CB 0.585 38.630 38.000 0.075 0.000 1.396 278 I HN 0.083 nan 8.210 nan 0.000 0.543 279 P HA 0.040 nan 4.420 nan 0.000 0.264 279 P C -0.502 176.889 177.300 0.151 0.000 1.179 279 P CA 0.192 63.353 63.100 0.101 0.000 0.763 279 P CB 0.337 32.081 31.700 0.073 0.000 0.806 280 L N 1.624 122.977 121.223 0.216 0.000 2.312 280 L HA 0.328 4.668 4.340 -0.000 0.000 0.281 280 L C 1.134 178.191 176.870 0.313 0.000 1.070 280 L CA -0.779 54.209 54.840 0.247 0.000 0.805 280 L CB 0.839 43.023 42.059 0.208 0.000 1.174 280 L HN 0.396 nan 8.230 nan 0.000 0.434 281 S N 0.517 116.343 115.700 0.210 0.000 2.576 281 S HA -0.027 4.443 4.470 -0.000 0.000 0.272 281 S C 0.883 175.530 174.600 0.078 0.000 1.352 281 S CA -0.291 58.021 58.200 0.187 0.000 1.021 281 S CB 1.203 64.497 63.200 0.158 0.000 0.887 281 S HN 0.775 nan 8.310 nan 0.000 0.542 282 E N 0.541 120.799 120.200 0.098 0.000 2.153 282 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 282 E C 1.993 178.573 176.600 -0.033 0.000 0.988 282 E CA 1.437 57.790 56.400 -0.078 0.000 0.811 282 E CB -0.160 29.611 29.700 0.118 0.000 0.746 282 E HN 0.892 nan 8.360 nan 0.000 0.466 283 E N 0.420 120.637 120.200 0.027 0.000 2.058 283 E HA -0.298 4.052 4.350 -0.000 0.000 0.194 283 E C 1.930 178.505 176.600 -0.042 0.000 0.997 283 E CA 1.566 57.971 56.400 0.009 0.000 0.801 283 E CB -0.085 29.658 29.700 0.071 0.000 0.746 283 E HN 0.109 nan 8.360 nan 0.000 0.450 284 E N 0.327 120.538 120.200 0.018 0.000 2.153 284 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 284 E C 1.744 178.318 176.600 -0.043 0.000 0.988 284 E CA 1.349 57.764 56.400 0.026 0.000 0.811 284 E CB -0.349 29.456 29.700 0.175 0.000 0.746 284 E HN 0.404 nan 8.360 nan 0.000 0.466 285 A N 0.401 123.142 122.820 -0.132 0.000 1.902 285 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 285 A C 2.135 179.681 177.584 -0.063 0.000 1.181 285 A CA 1.754 53.689 52.037 -0.170 0.000 0.623 285 A CB -0.560 18.106 19.000 -0.557 0.000 0.818 285 A HN 0.345 nan 8.150 nan 0.000 0.443 286 Q N -0.551 119.220 119.800 -0.049 0.000 2.020 286 Q HA -0.137 4.202 4.340 -0.000 0.000 0.202 286 Q C 2.176 178.111 176.000 -0.108 0.000 0.982 286 Q CA 1.758 57.522 55.803 -0.065 0.000 0.838 286 Q CB -0.428 28.237 28.738 -0.122 0.000 0.899 286 Q HN 0.485 nan 8.270 nan 0.000 0.423 287 V N 0.154 119.959 119.914 -0.181 0.000 2.380 287 V HA -0.293 3.826 4.120 -0.000 0.000 0.251 287 V C 1.978 178.004 176.094 -0.112 0.000 1.063 287 V CA 1.389 63.541 62.300 -0.246 0.000 1.055 287 V CB -0.348 31.145 31.823 -0.549 0.000 0.657 287 V HN 0.486 nan 8.190 nan 0.000 0.455 288 C N 0.170 119.436 119.300 -0.057 0.000 2.673 288 C HA 0.262 4.721 4.460 -0.000 0.000 0.274 288 C C 1.356 176.339 174.990 -0.013 0.000 1.276 288 C CA -0.544 58.470 59.018 -0.006 0.000 1.701 288 C CB -1.148 26.606 27.740 0.024 0.000 1.836 288 C HN 0.662 nan 8.230 nan 0.000 0.596 289 M N -0.235 119.351 119.600 -0.024 0.000 2.393 289 M HA -0.145 4.335 4.480 -0.000 0.000 0.201 289 M C 0.572 176.879 176.300 0.012 0.000 0.403 289 M CA 0.812 56.103 55.300 -0.015 0.000 0.471 289 M CB -2.388 30.192 32.600 -0.033 0.000 1.669 289 M HN 0.450 nan 8.290 nan 0.000 0.864 290 V N -4.312 115.619 119.914 0.029 0.000 3.166 290 V HA 0.177 4.297 4.120 -0.000 0.000 0.332 290 V C 1.876 178.005 176.094 0.059 0.000 1.434 290 V CA 0.518 62.846 62.300 0.047 0.000 1.121 290 V CB -0.065 31.791 31.823 0.055 0.000 1.062 290 V HN 0.616 nan 8.190 nan 0.000 0.489 291 H N 3.529 122.575 119.070 -0.040 0.000 2.353 291 H HA -0.222 4.334 4.556 -0.000 0.000 0.298 291 H C 1.878 177.222 175.328 0.028 0.000 1.103 291 H CA 2.704 58.722 56.048 -0.050 0.000 1.293 291 H CB -0.052 29.669 29.762 -0.067 0.000 1.372 291 H HN 0.764 nan 8.280 nan 0.000 0.501 292 D N 0.680 121.145 120.400 0.109 0.000 2.178 292 D HA -0.147 4.493 4.640 -0.000 0.000 0.201 292 D C 2.032 178.341 176.300 0.015 0.000 0.980 292 D CA 0.817 54.855 54.000 0.063 0.000 0.842 292 D CB -0.664 40.182 40.800 0.077 0.000 0.948 292 D HN 0.458 nan 8.370 nan 0.000 0.472 293 L N -0.522 120.721 121.223 0.033 0.000 2.607 293 L HA 0.153 4.493 4.340 -0.000 0.000 0.228 293 L C 2.371 179.278 176.870 0.061 0.000 1.123 293 L CA -0.246 54.617 54.840 0.039 0.000 0.890 293 L CB -0.608 41.479 42.059 0.048 0.000 1.103 293 L HN 0.075 nan 8.230 nan 0.000 0.468 294 H N 1.568 120.587 119.070 -0.084 0.000 2.394 294 H HA -0.189 4.367 4.556 -0.000 0.000 0.297 294 H C 1.578 176.876 175.328 -0.050 0.000 1.113 294 H CA 1.338 57.338 56.048 -0.081 0.000 1.277 294 H CB 0.554 30.215 29.762 -0.169 0.000 1.370 294 H HN 0.178 nan 8.280 nan 0.000 0.506 295 K N -0.141 120.211 120.400 -0.081 0.000 2.228 295 K HA -0.052 4.268 4.320 -0.000 0.000 0.202 295 K C 2.178 178.737 176.600 -0.068 0.000 1.051 295 K CA 1.330 57.544 56.287 -0.120 0.000 0.960 295 K CB -0.452 32.002 32.500 -0.078 0.000 0.743 295 K HN 0.503 nan 8.250 nan 0.000 0.458 296 T N -1.151 113.386 114.554 -0.027 0.000 3.113 296 T HA 0.115 4.465 4.350 -0.000 0.000 0.256 296 T C 0.950 175.652 174.700 0.004 0.000 1.131 296 T CA -0.109 61.987 62.100 -0.008 0.000 1.074 296 T CB -0.210 68.662 68.868 0.006 0.000 0.944 296 T HN -0.052 nan 8.240 nan 0.000 0.516 297 L N 3.815 125.042 121.223 0.006 0.000 2.418 297 L HA 0.264 4.603 4.340 -0.000 0.000 0.274 297 L C 1.061 177.945 176.870 0.023 0.000 1.135 297 L CA -0.486 54.375 54.840 0.035 0.000 0.870 297 L CB 0.289 42.392 42.059 0.073 0.000 1.154 297 L HN 0.393 nan 8.230 nan 0.000 0.462 298 T N 0.382 114.958 114.554 0.037 0.000 2.881 298 T HA 0.298 4.647 4.350 -0.000 0.000 0.278 298 T C -1.817 172.911 174.700 0.046 0.000 0.982 298 T CA -1.878 60.241 62.100 0.032 0.000 0.989 298 T CB 1.403 70.290 68.868 0.031 0.000 1.058 298 T HN 0.268 nan 8.240 nan 0.000 0.529 299 P HA -0.122 nan 4.420 nan 0.000 0.215 299 P C 1.816 179.154 177.300 0.063 0.000 1.163 299 P CA 0.833 63.962 63.100 0.048 0.000 0.894 299 P CB -0.043 31.677 31.700 0.034 0.000 0.791 300 L N -1.215 120.044 121.223 0.059 0.000 2.012 300 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 300 L C 2.216 179.154 176.870 0.114 0.000 1.073 300 L CA 2.094 56.978 54.840 0.074 0.000 0.748 300 L CB -0.929 41.162 42.059 0.054 0.000 0.891 300 L HN -0.028 nan 8.230 nan 0.000 0.431 301 A N -1.206 121.679 122.820 0.107 0.000 1.930 301 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 301 A C 2.372 180.044 177.584 0.146 0.000 1.175 301 A CA 1.818 53.939 52.037 0.139 0.000 0.627 301 A CB -0.496 18.568 19.000 0.106 0.000 0.815 301 A HN 0.499 nan 8.150 nan 0.000 0.443 302 S N 0.148 115.919 115.700 0.117 0.000 2.356 302 S HA -0.074 4.396 4.470 -0.000 0.000 0.223 302 S C 2.338 177.008 174.600 0.115 0.000 1.032 302 S CA 1.218 59.487 58.200 0.116 0.000 1.005 302 S CB -0.546 62.717 63.200 0.106 0.000 0.867 302 S HN 0.813 nan 8.310 nan 0.000 0.449 303 A N 0.542 123.433 122.820 0.119 0.000 1.908 303 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 303 A C 2.014 179.694 177.584 0.160 0.000 1.181 303 A CA 1.821 53.932 52.037 0.123 0.000 0.627 303 A CB -0.888 18.179 19.000 0.112 0.000 0.818 303 A HN 0.581 nan 8.150 nan 0.000 0.445 304 Y N 0.268 120.616 120.300 0.079 0.000 2.184 304 Y HA 0.084 4.634 4.550 -0.000 0.000 0.290 304 Y C 2.706 178.663 175.900 0.094 0.000 1.129 304 Y CA 0.839 58.990 58.100 0.086 0.000 1.144 304 Y CB -0.814 37.692 38.460 0.076 0.000 0.995 304 Y HN 0.311 nan 8.280 nan 0.000 0.513 305 A N 0.990 123.756 122.820 -0.091 0.000 1.915 305 A HA -0.306 4.014 4.320 -0.000 0.000 0.220 305 A C 2.347 179.870 177.584 -0.100 0.000 1.198 305 A CA 2.421 54.384 52.037 -0.123 0.000 0.647 305 A CB -0.811 18.205 19.000 0.026 0.000 0.825 305 A HN 0.555 nan 8.150 nan 0.000 0.456 306 R N -0.528 119.973 120.500 0.002 0.000 2.120 306 R HA -0.074 4.266 4.340 -0.000 0.000 0.234 306 R C 2.492 178.814 176.300 0.037 0.000 1.123 306 R CA 1.487 57.630 56.100 0.071 0.000 0.975 306 R CB -0.316 30.048 30.300 0.107 0.000 0.866 306 R HN 0.572 nan 8.270 nan 0.000 0.446 307 S N 0.287 115.965 115.700 -0.036 0.000 2.371 307 S HA -0.052 4.418 4.470 -0.000 0.000 0.224 307 S C 1.816 176.383 174.600 -0.055 0.000 1.029 307 S CA 0.684 58.880 58.200 -0.006 0.000 0.978 307 S CB -0.083 63.165 63.200 0.079 0.000 0.833 307 S HN 0.286 nan 8.310 nan 0.000 0.466 308 R N 0.642 120.977 120.500 -0.274 0.000 2.148 308 R HA -0.027 4.313 4.340 -0.000 0.000 0.227 308 R C 2.223 178.506 176.300 -0.027 0.000 1.103 308 R CA 0.954 56.937 56.100 -0.195 0.000 0.983 308 R CB -0.428 29.619 30.300 -0.422 0.000 0.874 308 R HN 0.461 nan 8.270 nan 0.000 0.451 309 G N -0.585 108.221 108.800 0.010 0.000 2.650 309 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.214 309 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.214 309 G C 1.308 176.386 174.900 0.296 0.000 1.136 309 G CA 0.556 45.740 45.100 0.141 0.000 0.789 309 G HN 0.371 nan 8.290 nan 0.000 0.536 310 A N -0.171 122.782 122.820 0.223 0.000 1.855 310 A HA 0.064 4.384 4.320 -0.000 0.000 0.215 310 A C 1.155 178.901 177.584 0.270 0.000 1.191 310 A CA 1.327 53.502 52.037 0.229 0.000 0.613 310 A CB 0.052 19.094 19.000 0.070 0.000 0.829 310 A HN 0.297 nan 8.150 nan 0.000 0.442 311 D N -1.820 118.693 120.400 0.188 0.000 2.386 311 D HA 0.285 4.925 4.640 -0.000 0.000 0.247 311 D C 0.455 176.845 176.300 0.150 0.000 1.336 311 D CA -0.408 53.698 54.000 0.176 0.000 0.976 311 D CB 0.733 41.620 40.800 0.145 0.000 1.257 311 D HN 0.173 nan 8.370 nan 0.000 0.570 312 R N 1.971 122.558 120.500 0.144 0.000 2.115 312 R HA -0.065 4.275 4.340 -0.000 0.000 0.230 312 R C 2.146 178.533 176.300 0.144 0.000 1.111 312 R CA 1.400 57.572 56.100 0.121 0.000 0.976 312 R CB 0.041 30.396 30.300 0.090 0.000 0.870 312 R HN 0.534 nan 8.270 nan 0.000 0.445 313 M N -1.833 117.853 119.600 0.144 0.000 2.541 313 M HA 0.178 4.658 4.480 -0.000 0.000 0.252 313 M C 1.435 177.843 176.300 0.180 0.000 1.125 313 M CA 1.256 56.651 55.300 0.158 0.000 1.091 313 M CB 0.421 33.079 32.600 0.098 0.000 1.420 313 M HN -0.218 nan 8.290 nan 0.000 0.486 314 S N 0.575 116.373 115.700 0.164 0.000 2.461 314 S HA 0.046 4.516 4.470 -0.000 0.000 0.228 314 S C 1.835 176.553 174.600 0.197 0.000 1.005 314 S CA 0.976 59.278 58.200 0.169 0.000 0.942 314 S CB -0.088 63.194 63.200 0.137 0.000 0.776 314 S HN 0.572 nan 8.310 nan 0.000 0.514 315 S N 0.988 116.804 115.700 0.193 0.000 2.561 315 S HA 0.183 4.653 4.470 -0.000 0.000 0.225 315 S C 0.366 175.094 174.600 0.213 0.000 0.977 315 S CA -0.231 58.084 58.200 0.193 0.000 0.926 315 S CB -0.281 63.010 63.200 0.152 0.000 0.769 315 S HN 0.554 nan 8.310 nan 0.000 0.533 316 F N 2.956 122.967 119.950 0.101 0.000 2.569 316 F HA 0.321 4.848 4.527 -0.000 0.000 0.395 316 F C 1.265 177.126 175.800 0.103 0.000 1.028 316 F CA 0.670 58.724 58.000 0.091 0.000 1.158 316 F CB -0.244 38.803 39.000 0.078 0.000 1.023 316 F HN 0.263 nan 8.300 nan 0.000 0.547 317 G N 4.119 112.761 108.800 -0.263 0.000 2.225 317 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.264 317 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.264 317 G C -0.396 174.545 174.900 0.068 0.000 1.060 317 G CA 0.077 45.109 45.100 -0.113 0.000 0.833 317 G HN 1.030 nan 8.290 nan 0.000 0.498 318 D N -0.834 119.629 120.400 0.106 0.000 2.354 318 D HA 0.539 5.179 4.640 -0.000 0.000 0.247 318 D C -0.079 176.335 176.300 0.190 0.000 1.138 318 D CA -1.080 53.036 54.000 0.194 0.000 0.958 318 D CB 0.848 41.793 40.800 0.243 0.000 1.144 318 D HN 0.045 nan 8.370 nan 0.000 0.458 319 F N 0.086 120.132 119.950 0.159 0.000 2.415 319 F HA 0.423 4.949 4.527 -0.000 0.000 0.348 319 F C -0.228 175.664 175.800 0.153 0.000 1.119 319 F CA -0.919 57.148 58.000 0.112 0.000 1.069 319 F CB 0.772 39.814 39.000 0.070 0.000 1.124 319 F HN 0.198 nan 8.300 nan 0.000 0.472 320 I N 5.082 125.646 120.570 -0.010 0.000 2.392 320 I HA 0.563 4.732 4.170 -0.000 0.000 0.295 320 I C -0.316 175.885 176.117 0.141 0.000 0.985 320 I CA -0.650 60.694 61.300 0.073 0.000 1.221 320 I CB 1.541 39.430 38.000 -0.184 0.000 1.366 320 I HN 0.656 nan 8.210 nan 0.000 0.467 321 A N 7.553 130.481 122.820 0.180 0.000 2.342 321 A HA 0.887 5.207 4.320 -0.000 0.000 0.323 321 A C -0.875 176.789 177.584 0.133 0.000 1.125 321 A CA -0.503 51.645 52.037 0.184 0.000 0.785 321 A CB 0.853 19.946 19.000 0.154 0.000 1.221 321 A HN 0.667 nan 8.150 nan 0.000 0.463 322 L N 2.034 123.341 121.223 0.140 0.000 2.346 322 L HA 0.412 4.751 4.340 -0.000 0.000 0.276 322 L C 1.346 178.279 176.870 0.105 0.000 1.006 322 L CA -0.462 54.428 54.840 0.084 0.000 0.817 322 L CB 2.249 44.325 42.059 0.027 0.000 1.272 322 L HN 0.869 nan 8.230 nan 0.000 0.421 323 S N -1.197 114.505 115.700 0.003 0.000 2.489 323 S HA 0.097 4.567 4.470 -0.000 0.000 0.228 323 S C 0.241 174.850 174.600 0.016 0.000 0.995 323 S CA 0.164 58.316 58.200 -0.081 0.000 0.934 323 S CB -0.128 62.985 63.200 -0.144 0.000 0.771 323 S HN 0.644 nan 8.310 nan 0.000 0.522 324 D N 0.358 120.771 120.400 0.022 0.000 2.477 324 D HA 0.506 5.146 4.640 -0.000 0.000 0.234 324 D C -0.417 175.859 176.300 -0.039 0.000 1.048 324 D CA -0.926 53.077 54.000 0.005 0.000 0.959 324 D CB 1.115 41.915 40.800 -0.000 0.000 1.408 324 D HN 0.098 nan 8.370 nan 0.000 0.496 325 I N 1.044 121.580 120.570 -0.056 0.000 2.821 325 I HA -0.118 4.051 4.170 -0.000 0.000 0.294 325 I C 0.882 176.938 176.117 -0.102 0.000 1.210 325 I CA 0.166 61.398 61.300 -0.113 0.000 1.430 325 I CB 0.093 38.058 38.000 -0.058 0.000 1.356 325 I HN 0.212 nan 8.210 nan 0.000 0.563 326 C N 7.717 126.908 119.300 -0.181 0.000 2.633 326 C HA 0.075 4.535 4.460 -0.000 0.000 0.415 326 C C 0.401 175.410 174.990 0.031 0.000 1.393 326 C CA -0.532 58.459 59.018 -0.046 0.000 1.700 326 C CB -1.204 26.570 27.740 0.056 0.000 2.541 326 C HN 0.865 nan 8.230 nan 0.000 0.603 327 D N 3.925 124.345 120.400 0.034 0.000 2.387 327 D HA 0.321 4.961 4.640 -0.000 0.000 0.255 327 D C 0.923 177.250 176.300 0.045 0.000 1.081 327 D CA -0.766 53.257 54.000 0.038 0.000 0.994 327 D CB 0.621 41.438 40.800 0.029 0.000 1.127 327 D HN 0.251 nan 8.370 nan 0.000 0.513 328 V N 0.351 120.286 119.914 0.035 0.000 2.255 328 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 328 V C -0.862 175.248 176.094 0.027 0.000 1.051 328 V CA 1.912 64.228 62.300 0.028 0.000 1.018 328 V CB -1.769 30.066 31.823 0.019 0.000 0.641 328 V HN 0.604 nan 8.190 nan 0.000 0.445 329 P HA -0.110 nan 4.420 nan 0.000 0.216 329 P C 1.812 179.145 177.300 0.055 0.000 1.150 329 P CA 1.708 64.831 63.100 0.039 0.000 0.837 329 P CB -0.262 31.462 31.700 0.039 0.000 0.786 330 T N -0.622 113.968 114.554 0.059 0.000 2.788 330 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 330 T C 1.905 176.628 174.700 0.037 0.000 1.044 330 T CA 1.623 63.765 62.100 0.071 0.000 1.139 330 T CB -0.871 68.032 68.868 0.058 0.000 0.867 330 T HN 0.066 nan 8.240 nan 0.000 0.454 331 A N 1.390 124.224 122.820 0.024 0.000 1.968 331 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 331 A C 2.258 179.826 177.584 -0.027 0.000 1.169 331 A CA 1.314 53.347 52.037 -0.006 0.000 0.638 331 A CB -0.344 18.661 19.000 0.009 0.000 0.812 331 A HN 0.411 nan 8.150 nan 0.000 0.446 332 K N -0.296 120.103 120.400 -0.002 0.000 2.057 332 K HA -0.005 4.315 4.320 -0.000 0.000 0.206 332 K C 1.716 178.321 176.600 0.009 0.000 1.050 332 K CA 1.376 57.660 56.287 -0.004 0.000 0.935 332 K CB -0.323 32.182 32.500 0.008 0.000 0.715 332 K HN 0.531 nan 8.250 nan 0.000 0.439 333 I N 0.917 121.517 120.570 0.049 0.000 2.127 333 I HA -0.328 3.842 4.170 -0.000 0.000 0.241 333 I C 2.170 178.336 176.117 0.081 0.000 1.075 333 I CA 1.465 62.823 61.300 0.098 0.000 1.334 333 I CB -0.337 37.784 38.000 0.202 0.000 1.040 333 I HN 0.121 nan 8.210 nan 0.000 0.405 334 I N 0.692 121.278 120.570 0.028 0.000 2.226 334 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 334 I C 2.748 178.763 176.117 -0.169 0.000 1.100 334 I CA 1.783 63.038 61.300 -0.075 0.000 1.374 334 I CB -0.440 37.447 38.000 -0.189 0.000 1.057 334 I HN 0.336 nan 8.210 nan 0.000 0.413 335 S N 1.661 117.262 115.700 -0.165 0.000 2.419 335 S HA -0.204 4.265 4.470 -0.000 0.000 0.233 335 S C 1.889 176.399 174.600 -0.150 0.000 1.016 335 S CA 0.978 59.054 58.200 -0.206 0.000 0.974 335 S CB -0.511 62.597 63.200 -0.153 0.000 0.786 335 S HN 0.616 nan 8.310 nan 0.000 0.492 336 R N 0.564 121.011 120.500 -0.087 0.000 2.359 336 R HA 0.342 4.682 4.340 -0.000 0.000 0.231 336 R C -0.286 175.984 176.300 -0.051 0.000 0.913 336 R CA -0.244 55.819 56.100 -0.062 0.000 1.075 336 R CB 0.097 30.375 30.300 -0.036 0.000 1.087 336 R HN 0.265 nan 8.270 nan 0.000 0.515 337 E N 1.090 121.258 120.200 -0.054 0.000 2.249 337 E HA 0.239 4.589 4.350 -0.000 0.000 0.263 337 E C -0.692 175.849 176.600 -0.098 0.000 0.950 337 E CA -1.141 55.237 56.400 -0.036 0.000 0.827 337 E CB 2.499 32.226 29.700 0.045 0.000 1.220 337 E HN -0.122 nan 8.360 nan 0.000 0.411 338 V N 1.776 121.606 119.914 -0.141 0.000 2.387 338 V HA 0.199 4.319 4.120 -0.000 0.000 0.260 338 V C 0.329 176.287 176.094 -0.226 0.000 1.054 338 V CA 0.175 62.297 62.300 -0.297 0.000 0.967 338 V CB 0.312 31.705 31.823 -0.716 0.000 1.036 338 V HN 0.519 nan 8.190 nan 0.000 0.481 339 S N 2.737 118.374 115.700 -0.104 0.000 2.540 339 S HA 0.430 4.900 4.470 -0.000 0.000 0.275 339 S C 0.212 174.899 174.600 0.146 0.000 1.123 339 S CA -0.687 57.537 58.200 0.039 0.000 0.907 339 S CB 2.065 65.330 63.200 0.110 0.000 1.081 339 S HN 0.678 nan 8.310 nan 0.000 0.476 340 D N 2.131 122.557 120.400 0.043 0.000 2.305 340 D HA 0.325 4.965 4.640 -0.000 0.000 0.206 340 D C 0.846 176.925 176.300 -0.367 0.000 0.974 340 D CA 1.286 55.269 54.000 -0.030 0.000 0.871 340 D CB 0.565 41.413 40.800 0.079 0.000 0.947 340 D HN 0.804 nan 8.370 nan 0.000 0.516 341 G N -0.963 107.371 108.800 -0.778 0.000 2.338 341 G HA2 0.413 4.373 3.960 -0.000 0.000 0.295 341 G HA3 0.413 4.373 3.960 -0.000 0.000 0.295 341 G C -1.708 172.296 174.900 -1.492 0.000 1.461 341 G CA -0.592 43.611 45.100 -1.496 0.000 0.817 341 G HN -0.044 nan 8.290 nan 0.000 0.556 342 V N -1.223 118.085 119.914 -1.010 0.000 2.876 342 V HA 0.870 4.990 4.120 -0.000 0.000 0.312 342 V C -0.519 175.552 176.094 -0.038 0.000 1.085 342 V CA -1.131 60.923 62.300 -0.411 0.000 0.945 342 V CB 1.547 33.375 31.823 0.008 0.000 1.017 342 V HN 1.180 nan 8.190 nan 0.000 0.428 343 V N 2.006 122.031 119.914 0.186 0.000 2.588 343 V HA 0.987 5.107 4.120 -0.000 0.000 0.304 343 V C -0.160 176.022 176.094 0.147 0.000 1.042 343 V CA 0.302 62.729 62.300 0.212 0.000 0.877 343 V CB 1.501 33.456 31.823 0.218 0.000 0.996 343 V HN 1.550 nan 8.190 nan 0.000 0.425 344 A N 7.061 129.877 122.820 -0.007 0.000 2.606 344 A HA 0.869 5.189 4.320 -0.000 0.000 0.293 344 A C -2.648 174.777 177.584 -0.265 0.000 1.082 344 A CA -1.063 50.883 52.037 -0.152 0.000 0.685 344 A CB 1.948 20.591 19.000 -0.595 0.000 1.284 344 A HN 0.546 nan 8.150 nan 0.000 0.408 345 P HA 0.181 nan 4.420 nan 0.000 0.234 345 P C 0.703 177.903 177.300 -0.167 0.000 1.167 345 P CA 1.648 64.678 63.100 -0.117 0.000 0.763 345 P CB 0.252 32.006 31.700 0.090 0.000 0.835 346 G N -1.418 107.174 108.800 -0.347 0.000 2.336 346 G HA2 0.370 4.330 3.960 -0.000 0.000 0.300 346 G HA3 0.370 4.330 3.960 -0.000 0.000 0.300 346 G C -2.359 172.220 174.900 -0.534 0.000 1.375 346 G CA -0.828 44.107 45.100 -0.274 0.000 0.885 346 G HN -0.077 nan 8.290 nan 0.000 0.599 347 Y N 0.134 120.432 120.300 -0.003 0.000 2.470 347 Y HA 0.497 5.047 4.550 -0.000 0.000 0.341 347 Y C 0.375 176.274 175.900 -0.001 0.000 1.021 347 Y CA -0.910 57.189 58.100 -0.002 0.000 1.025 347 Y CB 2.022 40.477 38.460 -0.008 0.000 1.266 347 Y HN 0.613 nan 8.280 nan 0.000 0.448 348 E N 2.200 122.479 120.200 0.132 0.000 2.415 348 E HA -0.041 4.309 4.350 -0.000 0.000 0.262 348 E C 0.635 177.285 176.600 0.084 0.000 1.038 348 E CA -0.006 56.444 56.400 0.082 0.000 0.921 348 E CB 0.779 30.511 29.700 0.055 0.000 0.950 348 E HN 0.763 nan 8.360 nan 0.000 0.438 349 E N 2.000 122.231 120.200 0.052 0.000 2.114 349 E HA -0.264 4.086 4.350 -0.000 0.000 0.199 349 E C 1.404 178.018 176.600 0.024 0.000 1.008 349 E CA 1.335 57.755 56.400 0.034 0.000 0.810 349 E CB 0.214 29.926 29.700 0.020 0.000 0.739 349 E HN 0.424 nan 8.360 nan 0.000 0.456 350 E N -0.071 120.143 120.200 0.024 0.000 2.107 350 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 350 E C 1.966 178.574 176.600 0.015 0.000 0.982 350 E CA 0.824 57.232 56.400 0.013 0.000 0.809 350 E CB -0.351 29.356 29.700 0.011 0.000 0.756 350 E HN 0.244 nan 8.360 nan 0.000 0.459 351 A N 1.787 124.629 122.820 0.037 0.000 1.883 351 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 351 A C 2.283 179.882 177.584 0.026 0.000 1.186 351 A CA 1.522 53.589 52.037 0.050 0.000 0.624 351 A CB -0.741 18.321 19.000 0.104 0.000 0.822 351 A HN 0.252 nan 8.150 nan 0.000 0.444 352 L N -0.370 120.867 121.223 0.024 0.000 2.079 352 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 352 L C 2.159 178.987 176.870 -0.071 0.000 1.081 352 L CA 2.111 56.908 54.840 -0.071 0.000 0.752 352 L CB -0.442 41.580 42.059 -0.062 0.000 0.896 352 L HN 0.199 nan 8.230 nan 0.000 0.433 353 K N -0.247 120.130 120.400 -0.037 0.000 2.057 353 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 353 K C 2.116 178.688 176.600 -0.046 0.000 1.049 353 K CA 1.476 57.741 56.287 -0.038 0.000 0.931 353 K CB -0.411 32.075 32.500 -0.023 0.000 0.714 353 K HN 0.374 nan 8.250 nan 0.000 0.440 354 I N 1.220 121.764 120.570 -0.044 0.000 2.252 354 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 354 I C 2.358 178.418 176.117 -0.094 0.000 1.102 354 I CA 1.168 62.433 61.300 -0.058 0.000 1.385 354 I CB -0.779 37.194 38.000 -0.045 0.000 1.064 354 I HN 0.102 nan 8.210 nan 0.000 0.414 355 L N -0.156 121.010 121.223 -0.095 0.000 2.109 355 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 355 L C 2.630 179.459 176.870 -0.068 0.000 1.086 355 L CA 0.835 55.602 54.840 -0.122 0.000 0.760 355 L CB -0.507 41.506 42.059 -0.076 0.000 0.910 355 L HN 0.134 nan 8.230 nan 0.000 0.437 356 S N 0.443 116.106 115.700 -0.062 0.000 2.368 356 S HA -0.153 4.317 4.470 -0.000 0.000 0.224 356 S C 1.776 176.360 174.600 -0.026 0.000 1.029 356 S CA 1.345 59.524 58.200 -0.036 0.000 0.988 356 S CB -0.146 63.018 63.200 -0.059 0.000 0.838 356 S HN 0.485 nan 8.310 nan 0.000 0.462 357 K N 1.706 122.078 120.400 -0.046 0.000 2.574 357 K HA 0.051 4.370 4.320 -0.000 0.000 0.193 357 K C 0.632 177.198 176.600 -0.056 0.000 1.035 357 K CA 0.560 56.821 56.287 -0.044 0.000 0.982 357 K CB -0.023 32.451 32.500 -0.044 0.000 0.795 357 K HN 0.109 nan 8.250 nan 0.000 0.491 358 K N 1.924 122.271 120.400 -0.088 0.000 2.355 358 K HA -0.020 4.300 4.320 -0.000 0.000 0.270 358 K C -0.317 176.260 176.600 -0.039 0.000 1.003 358 K CA -0.160 56.039 56.287 -0.146 0.000 0.957 358 K CB 0.465 32.720 32.500 -0.408 0.000 0.939 358 K HN -0.033 nan 8.250 nan 0.000 0.482 359 K N 2.390 122.765 120.400 -0.043 0.000 3.278 359 K HA -0.293 4.027 4.320 -0.000 0.000 0.270 359 K C -0.489 176.119 176.600 0.013 0.000 0.955 359 K CA 1.181 57.473 56.287 0.009 0.000 0.723 359 K CB -2.089 30.452 32.500 0.068 0.000 1.382 359 K HN 1.019 nan 8.250 nan 0.000 0.461 360 N N -0.752 117.944 118.700 -0.006 0.000 2.721 360 N HA -0.248 4.492 4.740 -0.000 0.000 0.249 360 N C 0.708 176.218 175.510 -0.000 0.000 1.072 360 N CA 2.234 55.282 53.050 -0.004 0.000 0.710 360 N CB -0.897 37.591 38.487 0.002 0.000 0.993 360 N HN 0.923 nan 8.380 nan 0.000 0.547 361 G N -2.910 105.890 108.800 -0.000 0.000 2.176 361 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.253 361 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.253 361 G C 0.718 175.624 174.900 0.011 0.000 0.979 361 G CA 0.298 45.398 45.100 -0.000 0.000 0.641 361 G HN 0.943 nan 8.290 nan 0.000 0.530 362 G N -0.816 108.001 108.800 0.028 0.000 3.324 362 G HA2 0.408 4.368 3.960 -0.000 0.000 0.251 362 G HA3 0.408 4.368 3.960 -0.000 0.000 0.251 362 G C 0.349 175.276 174.900 0.045 0.000 1.072 362 G CA 0.071 45.185 45.100 0.024 0.000 0.787 362 G HN 0.598 nan 8.290 nan 0.000 0.537 363 Y N 1.087 121.343 120.300 -0.074 0.000 2.632 363 Y HA 0.225 4.775 4.550 -0.000 0.000 0.329 363 Y C 0.858 176.695 175.900 -0.105 0.000 1.174 363 Y CA -1.323 56.720 58.100 -0.095 0.000 1.469 363 Y CB 0.380 38.770 38.460 -0.117 0.000 1.242 363 Y HN 0.053 nan 8.280 nan 0.000 0.540 364 C N 8.082 127.044 119.300 -0.563 0.000 2.663 364 C HA 0.464 4.924 4.460 -0.000 0.000 0.398 364 C C -0.478 174.170 174.990 -0.571 0.000 1.356 364 C CA -0.551 58.197 59.018 -0.450 0.000 1.629 364 C CB -2.330 25.233 27.740 -0.295 0.000 2.402 364 C HN 0.599 nan 8.230 nan 0.000 0.598 365 V N 8.718 128.451 119.914 -0.302 0.000 2.444 365 V HA 0.481 4.601 4.120 -0.000 0.000 0.294 365 V C -0.045 175.972 176.094 -0.128 0.000 1.022 365 V CA -0.320 61.824 62.300 -0.260 0.000 0.850 365 V CB 1.352 32.968 31.823 -0.345 0.000 0.992 365 V HN 0.751 nan 8.190 nan 0.000 0.426 366 L N 4.071 125.299 121.223 0.008 0.000 2.342 366 L HA 0.698 5.038 4.340 -0.000 0.000 0.271 366 L C -0.421 176.535 176.870 0.144 0.000 1.008 366 L CA -0.599 54.270 54.840 0.047 0.000 0.818 366 L CB 2.071 44.154 42.059 0.040 0.000 1.296 366 L HN 0.616 nan 8.230 nan 0.000 0.427 367 Q N 2.603 122.426 119.800 0.038 0.000 2.325 367 Q HA 0.550 4.889 4.340 -0.000 0.000 0.270 367 Q C -1.275 174.596 176.000 -0.215 0.000 1.020 367 Q CA -0.757 55.039 55.803 -0.011 0.000 0.785 367 Q CB 2.124 30.902 28.738 0.067 0.000 1.259 367 Q HN 0.586 nan 8.270 nan 0.000 0.452 368 M N 3.806 123.157 119.600 -0.414 0.000 2.205 368 M HA 0.283 4.763 4.480 -0.000 0.000 0.344 368 M C -1.085 174.937 176.300 -0.464 0.000 1.085 368 M CA -0.470 54.449 55.300 -0.634 0.000 1.001 368 M CB 1.395 33.202 32.600 -1.321 0.000 1.626 368 M HN 0.547 nan 8.290 nan 0.000 0.442 369 D N 6.906 127.135 120.400 -0.284 0.000 2.451 369 D HA 0.048 4.687 4.640 -0.000 0.000 0.254 369 D C -1.657 174.645 176.300 0.003 0.000 1.204 369 D CA -1.192 52.746 54.000 -0.103 0.000 0.896 369 D CB 1.057 41.836 40.800 -0.036 0.000 1.136 369 D HN 0.438 nan 8.370 nan 0.000 0.499 370 P HA -0.074 nan 4.420 nan 0.000 0.230 370 P C 0.197 177.656 177.300 0.265 0.000 1.158 370 P CA 0.641 63.926 63.100 0.309 0.000 0.769 370 P CB 0.451 32.285 31.700 0.225 0.000 0.807 371 N N -1.815 116.992 118.700 0.179 0.000 2.184 371 N HA 0.008 4.748 4.740 -0.000 0.000 0.206 371 N C 0.338 175.930 175.510 0.136 0.000 1.151 371 N CA -0.333 52.795 53.050 0.131 0.000 0.878 371 N CB -0.270 38.266 38.487 0.081 0.000 1.014 371 N HN 0.242 nan 8.380 nan 0.000 0.512 372 Y N 2.516 122.852 120.300 0.060 0.000 2.497 372 Y HA 0.110 4.660 4.550 -0.000 0.000 0.334 372 Y C -0.251 175.692 175.900 0.072 0.000 1.199 372 Y CA 0.206 58.332 58.100 0.042 0.000 1.425 372 Y CB 0.499 38.962 38.460 0.004 0.000 1.291 372 Y HN -0.068 nan 8.280 nan 0.000 0.562 373 E N 7.155 126.910 120.200 -0.741 0.000 2.308 373 E HA 0.324 4.674 4.350 -0.000 0.000 0.275 373 E C -2.672 173.423 176.600 -0.841 0.000 0.890 373 E CA -2.269 53.785 56.400 -0.577 0.000 0.754 373 E CB 1.902 31.461 29.700 -0.236 0.000 1.207 373 E HN 0.477 nan 8.360 nan 0.000 0.426 374 P HA 0.191 nan 4.420 nan 0.000 0.279 374 P C -0.750 176.463 177.300 -0.145 0.000 1.252 374 P CA -0.554 62.365 63.100 -0.303 0.000 0.811 374 P CB 0.750 32.424 31.700 -0.042 0.000 1.035 375 D N 0.818 121.182 120.400 -0.061 0.000 2.400 375 D HA -0.027 4.612 4.640 -0.000 0.000 0.238 375 D C 1.111 177.404 176.300 -0.012 0.000 1.157 375 D CA 0.167 54.151 54.000 -0.027 0.000 0.889 375 D CB 0.299 41.101 40.800 0.003 0.000 1.199 375 D HN 0.303 nan 8.370 nan 0.000 0.436 376 D N 0.199 120.594 120.400 -0.009 0.000 2.084 376 D HA -0.099 4.541 4.640 -0.000 0.000 0.194 376 D C 0.376 176.684 176.300 0.013 0.000 0.990 376 D CA 1.007 55.007 54.000 -0.000 0.000 0.826 376 D CB -0.059 40.739 40.800 -0.003 0.000 0.971 376 D HN 0.311 nan 8.370 nan 0.000 0.453 377 N N 1.571 120.280 118.700 0.015 0.000 2.525 377 N HA 0.173 4.913 4.740 -0.000 0.000 0.271 377 N C 0.077 175.605 175.510 0.029 0.000 1.194 377 N CA 0.121 53.185 53.050 0.022 0.000 0.964 377 N CB 1.225 39.724 38.487 0.020 0.000 1.126 377 N HN 0.315 nan 8.380 nan 0.000 0.452 378 E N 0.362 120.582 120.200 0.035 0.000 2.331 378 E HA 0.580 4.930 4.350 -0.000 0.000 0.275 378 E C -1.197 175.427 176.600 0.039 0.000 0.895 378 E CA -0.700 55.723 56.400 0.038 0.000 0.753 378 E CB 1.410 31.139 29.700 0.048 0.000 1.216 378 E HN 0.359 nan 8.360 nan 0.000 0.434 379 I N 1.804 122.396 120.570 0.037 0.000 2.530 379 I HA 0.500 4.670 4.170 -0.000 0.000 0.297 379 I C -0.316 175.828 176.117 0.045 0.000 1.011 379 I CA -1.006 60.318 61.300 0.041 0.000 1.107 379 I CB 1.938 39.964 38.000 0.042 0.000 1.285 379 I HN 0.584 nan 8.210 nan 0.000 0.436 380 R N 2.500 123.031 120.500 0.051 0.000 2.628 380 R HA 0.649 4.989 4.340 -0.000 0.000 0.288 380 R C -1.383 174.954 176.300 0.061 0.000 0.980 380 R CA -0.626 55.509 56.100 0.058 0.000 0.891 380 R CB 1.604 31.940 30.300 0.060 0.000 1.188 380 R HN 0.406 nan 8.270 nan 0.000 0.450 381 T N 3.800 118.395 114.554 0.069 0.000 2.817 381 T HA 0.385 4.735 4.350 -0.000 0.000 0.293 381 T C -0.933 173.814 174.700 0.078 0.000 0.964 381 T CA -0.336 61.805 62.100 0.069 0.000 1.085 381 T CB 0.749 69.658 68.868 0.068 0.000 0.921 381 T HN 0.439 nan 8.240 nan 0.000 0.502 382 L N 4.882 126.157 121.223 0.086 0.000 2.476 382 L HA 0.424 4.764 4.340 -0.000 0.000 0.269 382 L C -0.562 176.417 176.870 0.182 0.000 0.965 382 L CA -0.704 54.203 54.840 0.111 0.000 0.845 382 L CB 0.912 43.020 42.059 0.082 0.000 1.259 382 L HN 0.694 nan 8.230 nan 0.000 0.403 383 Y N 5.511 125.818 120.300 0.013 0.000 3.491 383 Y HA -0.132 4.418 4.550 -0.000 0.000 0.215 383 Y C 1.334 177.241 175.900 0.012 0.000 1.219 383 Y CA 1.732 59.838 58.100 0.010 0.000 1.485 383 Y CB -1.057 37.406 38.460 0.005 0.000 1.450 383 Y HN 1.268 nan 8.280 nan 0.000 0.603 384 G N -0.933 107.862 108.800 -0.008 0.000 2.205 384 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.261 384 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.261 384 G C 0.187 175.077 174.900 -0.015 0.000 0.980 384 G CA 0.230 45.293 45.100 -0.062 0.000 0.632 384 G HN 0.636 nan 8.290 nan 0.000 0.533 385 L N -0.394 120.846 121.223 0.029 0.000 2.334 385 L HA 0.754 5.093 4.340 -0.000 0.000 0.270 385 L C 0.107 177.006 176.870 0.048 0.000 1.018 385 L CA -1.191 53.672 54.840 0.038 0.000 0.811 385 L CB 1.496 43.587 42.059 0.053 0.000 1.271 385 L HN -0.040 nan 8.230 nan 0.000 0.443 386 Q N 2.091 121.917 119.800 0.043 0.000 2.340 386 Q HA 0.538 4.878 4.340 -0.000 0.000 0.259 386 Q C -1.075 174.951 176.000 0.044 0.000 0.964 386 Q CA 0.049 55.879 55.803 0.045 0.000 0.900 386 Q CB 1.718 30.482 28.738 0.042 0.000 1.228 386 Q HN 0.408 nan 8.270 nan 0.000 0.449 387 L N 3.163 124.414 121.223 0.047 0.000 2.257 387 L HA 0.535 4.875 4.340 -0.000 0.000 0.290 387 L C -0.431 176.466 176.870 0.044 0.000 1.044 387 L CA -0.347 54.520 54.840 0.045 0.000 0.810 387 L CB 0.896 42.983 42.059 0.047 0.000 1.193 387 L HN 0.514 nan 8.230 nan 0.000 0.425 388 M N 5.014 124.638 119.600 0.040 0.000 2.383 388 M HA 0.462 4.942 4.480 -0.000 0.000 0.325 388 M C -1.150 175.173 176.300 0.038 0.000 1.092 388 M CA -0.290 55.033 55.300 0.038 0.000 0.961 388 M CB 1.792 34.412 32.600 0.034 0.000 1.672 388 M HN 0.667 nan 8.290 nan 0.000 0.438 389 Q N 2.482 122.305 119.800 0.039 0.000 2.435 389 Q HA 0.470 4.810 4.340 -0.000 0.000 0.282 389 Q C -1.579 174.441 176.000 0.035 0.000 1.020 389 Q CA -1.292 54.534 55.803 0.038 0.000 0.820 389 Q CB 1.526 30.293 28.738 0.048 0.000 1.436 389 Q HN 0.606 nan 8.270 nan 0.000 0.395 390 K N 1.805 122.222 120.400 0.028 0.000 2.401 390 K HA 0.118 4.438 4.320 -0.000 0.000 0.278 390 K C -0.131 176.488 176.600 0.031 0.000 1.018 390 K CA -0.219 56.082 56.287 0.024 0.000 0.981 390 K CB 0.694 33.203 32.500 0.014 0.000 0.933 390 K HN 0.728 nan 8.250 nan 0.000 0.477 391 R N 2.534 123.054 120.500 0.034 0.000 2.738 391 R HA 0.103 4.443 4.340 -0.000 0.000 0.275 391 R C -0.296 176.026 176.300 0.036 0.000 1.121 391 R CA -0.601 55.528 56.100 0.048 0.000 1.207 391 R CB 0.164 30.498 30.300 0.058 0.000 1.141 391 R HN 0.585 nan 8.270 nan 0.000 0.571 392 N N 0.896 119.621 118.700 0.042 0.000 2.555 392 N HA 0.032 4.772 4.740 -0.000 0.000 0.244 392 N C -0.946 174.563 175.510 -0.002 0.000 1.114 392 N CA -0.162 52.890 53.050 0.004 0.000 0.963 392 N CB 0.094 38.563 38.487 -0.030 0.000 1.276 392 N HN 0.488 nan 8.380 nan 0.000 0.510 393 N N 1.108 119.806 118.700 -0.004 0.000 2.276 393 N HA 0.077 4.817 4.740 -0.000 0.000 0.212 393 N C -0.271 175.226 175.510 -0.023 0.000 1.127 393 N CA -0.125 52.923 53.050 -0.003 0.000 0.834 393 N CB 0.356 38.840 38.487 -0.004 0.000 1.014 393 N HN 0.469 nan 8.380 nan 0.000 0.491 394 A N 0.757 123.552 122.820 -0.041 0.000 2.545 394 A HA 0.172 4.492 4.320 -0.000 0.000 0.253 394 A C 0.537 178.088 177.584 -0.054 0.000 1.074 394 A CA -0.081 51.922 52.037 -0.057 0.000 0.760 394 A CB 0.061 19.016 19.000 -0.076 0.000 1.005 394 A HN 0.031 nan 8.150 nan 0.000 0.506 395 V N 4.860 124.741 119.914 -0.056 0.000 2.555 395 V HA 0.119 4.239 4.120 -0.000 0.000 0.286 395 V C 0.249 176.295 176.094 -0.080 0.000 1.044 395 V CA -0.238 62.030 62.300 -0.054 0.000 1.026 395 V CB 0.764 32.556 31.823 -0.052 0.000 0.981 395 V HN 0.623 nan 8.190 nan 0.000 0.480 396 I N 5.649 126.179 120.570 -0.067 0.000 2.307 396 I HA 0.509 4.679 4.170 -0.000 0.000 0.289 396 I C -0.131 175.935 176.117 -0.084 0.000 1.021 396 I CA -0.319 60.924 61.300 -0.095 0.000 1.224 396 I CB 0.717 38.687 38.000 -0.049 0.000 1.376 396 I HN 0.880 nan 8.210 nan 0.000 0.470 397 D N 4.890 125.201 120.400 -0.148 0.000 2.812 397 D HA 0.346 4.986 4.640 -0.000 0.000 0.318 397 D C 0.682 176.876 176.300 -0.176 0.000 1.234 397 D CA -0.802 53.140 54.000 -0.096 0.000 0.989 397 D CB 0.648 41.411 40.800 -0.063 0.000 1.442 397 D HN 0.343 nan 8.370 nan 0.000 0.537 398 R N -0.433 120.049 120.500 -0.030 0.000 2.328 398 R HA 0.025 4.364 4.340 -0.000 0.000 0.207 398 R C 1.354 177.626 176.300 -0.047 0.000 1.056 398 R CA 1.224 57.375 56.100 0.086 0.000 1.016 398 R CB -0.496 29.886 30.300 0.136 0.000 0.872 398 R HN 0.324 nan 8.270 nan 0.000 0.471 399 S N 0.764 116.377 115.700 -0.146 0.000 2.489 399 S HA -0.036 4.434 4.470 -0.000 0.000 0.228 399 S C 1.728 176.180 174.600 -0.248 0.000 0.995 399 S CA 0.095 58.210 58.200 -0.141 0.000 0.934 399 S CB -0.050 63.087 63.200 -0.104 0.000 0.771 399 S HN 0.379 nan 8.310 nan 0.000 0.522 400 L N 0.601 121.522 121.223 -0.504 0.000 2.456 400 L HA 0.323 4.663 4.340 -0.000 0.000 0.224 400 L C 0.309 176.842 176.870 -0.562 0.000 1.148 400 L CA 1.291 55.759 54.840 -0.620 0.000 0.825 400 L CB -0.622 40.937 42.059 -0.833 0.000 0.937 400 L HN 0.375 nan 8.230 nan 0.000 0.450 401 F N -1.600 118.330 119.950 -0.033 0.000 2.750 401 F HA 0.277 4.804 4.527 -0.000 0.000 0.297 401 F C 1.585 177.368 175.800 -0.028 0.000 1.138 401 F CA -0.474 57.506 58.000 -0.033 0.000 1.346 401 F CB -0.523 38.451 39.000 -0.044 0.000 0.965 401 F HN -0.107 nan 8.300 nan 0.000 0.514 402 K N -0.080 120.356 120.400 0.061 0.000 2.137 402 K HA -0.034 4.286 4.320 -0.000 0.000 0.202 402 K C 0.659 177.281 176.600 0.038 0.000 1.052 402 K CA 0.507 56.818 56.287 0.040 0.000 0.961 402 K CB -0.269 32.232 32.500 0.002 0.000 0.741 402 K HN 0.115 nan 8.250 nan 0.000 0.452 403 N N 1.744 120.466 118.700 0.036 0.000 3.050 403 N HA 0.093 4.833 4.740 -0.000 0.000 0.289 403 N C -0.896 174.633 175.510 0.032 0.000 1.209 403 N CA -0.004 53.065 53.050 0.032 0.000 1.154 403 N CB -0.580 37.926 38.487 0.032 0.000 1.444 403 N HN 0.041 nan 8.380 nan 0.000 0.529 404 I N 1.907 122.492 120.570 0.025 0.000 2.421 404 I HA -0.029 4.141 4.170 -0.000 0.000 0.291 404 I C 1.483 177.587 176.117 -0.022 0.000 1.089 404 I CA -0.394 60.908 61.300 0.004 0.000 1.354 404 I CB 0.833 38.842 38.000 0.016 0.000 1.413 404 I HN 0.222 nan 8.210 nan 0.000 0.513 405 V N 1.593 121.467 119.914 -0.066 0.000 3.506 405 V HA 0.037 4.157 4.120 -0.000 0.000 0.263 405 V C 1.090 177.143 176.094 -0.068 0.000 1.203 405 V CA 0.195 62.452 62.300 -0.073 0.000 1.133 405 V CB -0.820 30.930 31.823 -0.122 0.000 0.802 405 V HN 0.773 nan 8.190 nan 0.000 0.459 406 T N -1.981 112.531 114.554 -0.071 0.000 2.849 406 T HA 0.321 4.671 4.350 -0.000 0.000 0.284 406 T C 0.846 175.528 174.700 -0.029 0.000 1.004 406 T CA -0.271 61.797 62.100 -0.052 0.000 1.021 406 T CB 1.627 70.461 68.868 -0.056 0.000 1.013 406 T HN 0.277 nan 8.240 nan 0.000 0.527 407 K N 0.953 121.338 120.400 -0.024 0.000 2.009 407 K HA -0.077 4.243 4.320 -0.000 0.000 0.210 407 K C 0.719 177.311 176.600 -0.012 0.000 1.049 407 K CA 1.145 57.423 56.287 -0.016 0.000 0.929 407 K CB -0.319 32.172 32.500 -0.014 0.000 0.714 407 K HN 0.654 nan 8.250 nan 0.000 0.440 408 N N 2.659 121.349 118.700 -0.017 0.000 2.417 408 N HA -0.077 4.663 4.740 -0.000 0.000 0.272 408 N C 0.251 175.764 175.510 0.004 0.000 1.304 408 N CA 0.427 53.471 53.050 -0.010 0.000 0.906 408 N CB 0.904 39.375 38.487 -0.026 0.000 1.135 408 N HN 0.010 nan 8.380 nan 0.000 0.483 409 K N 0.502 120.910 120.400 0.013 0.000 2.393 409 K HA 0.066 4.386 4.320 -0.000 0.000 0.193 409 K C -0.051 176.575 176.600 0.043 0.000 1.026 409 K CA 0.120 56.421 56.287 0.022 0.000 1.064 409 K CB 0.168 32.675 32.500 0.013 0.000 0.833 409 K HN 0.460 nan 8.250 nan 0.000 0.521 410 T N 1.446 116.039 114.554 0.065 0.000 2.778 410 T HA 0.028 4.378 4.350 -0.000 0.000 0.282 410 T C -0.312 174.492 174.700 0.174 0.000 0.983 410 T CA 0.376 62.542 62.100 0.111 0.000 1.193 410 T CB 0.152 69.104 68.868 0.141 0.000 0.938 410 T HN -0.048 nan 8.240 nan 0.000 0.523 411 L N 7.077 128.322 121.223 0.037 0.000 2.440 411 L HA 0.359 4.699 4.340 -0.000 0.000 0.261 411 L C -2.296 174.448 176.870 -0.209 0.000 1.382 411 L CA -1.553 53.207 54.840 -0.133 0.000 0.871 411 L CB 0.956 42.951 42.059 -0.107 0.000 1.052 411 L HN 0.386 nan 8.230 nan 0.000 0.509 412 P HA 0.213 nan 4.420 nan 0.000 0.273 412 P C 0.362 177.518 177.300 -0.241 0.000 1.250 412 P CA -0.177 62.803 63.100 -0.199 0.000 0.793 412 P CB 0.978 32.584 31.700 -0.157 0.000 1.011 413 E N 0.137 120.245 120.200 -0.153 0.000 2.153 413 E HA -0.125 4.224 4.350 -0.000 0.000 0.194 413 E C 1.899 178.405 176.600 -0.155 0.000 0.988 413 E CA 1.719 58.041 56.400 -0.130 0.000 0.811 413 E CB -0.649 29.006 29.700 -0.075 0.000 0.746 413 E HN 0.587 nan 8.360 nan 0.000 0.466 414 S N 0.754 116.357 115.700 -0.161 0.000 2.383 414 S HA -0.036 4.434 4.470 -0.000 0.000 0.227 414 S C 2.243 176.690 174.600 -0.255 0.000 1.026 414 S CA 1.065 59.172 58.200 -0.155 0.000 0.981 414 S CB -0.198 62.938 63.200 -0.106 0.000 0.818 414 S HN 0.244 nan 8.310 nan 0.000 0.472 415 A N 1.709 124.262 122.820 -0.446 0.000 1.877 415 A HA 0.067 4.387 4.320 -0.000 0.000 0.216 415 A C 2.441 179.689 177.584 -0.561 0.000 1.186 415 A CA 1.657 53.260 52.037 -0.723 0.000 0.620 415 A CB -1.218 16.876 19.000 -1.511 0.000 0.822 415 A HN 0.436 nan 8.150 nan 0.000 0.443 416 V N 0.345 119.973 119.914 -0.478 0.000 2.255 416 V HA -0.291 3.828 4.120 -0.000 0.000 0.247 416 V C 2.683 178.629 176.094 -0.246 0.000 1.051 416 V CA 2.365 64.401 62.300 -0.439 0.000 1.018 416 V CB -0.841 30.850 31.823 -0.221 0.000 0.641 416 V HN 0.687 nan 8.190 nan 0.000 0.445 417 R N 0.107 120.513 120.500 -0.156 0.000 2.096 417 R HA -0.237 4.103 4.340 -0.000 0.000 0.240 417 R C 2.015 178.267 176.300 -0.081 0.000 1.139 417 R CA 2.472 58.525 56.100 -0.079 0.000 0.952 417 R CB -0.488 29.774 30.300 -0.063 0.000 0.854 417 R HN 0.539 nan 8.270 nan 0.000 0.436 418 D N 0.511 120.832 120.400 -0.132 0.000 2.117 418 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 418 D C 2.075 178.318 176.300 -0.096 0.000 0.982 418 D CA 1.055 54.994 54.000 -0.102 0.000 0.828 418 D CB -0.251 40.486 40.800 -0.104 0.000 0.967 418 D HN 0.284 nan 8.370 nan 0.000 0.464 419 L N 0.396 121.506 121.223 -0.188 0.000 2.083 419 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 419 L C 2.473 179.393 176.870 0.083 0.000 1.083 419 L CA 0.601 55.349 54.840 -0.153 0.000 0.752 419 L CB -0.286 41.450 42.059 -0.540 0.000 0.899 419 L HN 0.006 nan 8.230 nan 0.000 0.433 420 I N -0.902 119.741 120.570 0.122 0.000 2.179 420 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 420 I C 2.423 178.600 176.117 0.100 0.000 1.088 420 I CA 1.101 62.522 61.300 0.201 0.000 1.357 420 I CB -0.229 37.872 38.000 0.168 0.000 1.051 420 I HN 0.007 nan 8.210 nan 0.000 0.409 421 V N 0.931 120.875 119.914 0.050 0.000 2.343 421 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 421 V C 2.668 178.791 176.094 0.049 0.000 1.051 421 V CA 2.043 64.368 62.300 0.041 0.000 1.036 421 V CB -1.077 30.756 31.823 0.017 0.000 0.654 421 V HN 0.504 nan 8.190 nan 0.000 0.451 422 A N -0.327 122.516 122.820 0.037 0.000 1.898 422 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 422 A C 2.478 180.094 177.584 0.053 0.000 1.181 422 A CA 2.140 54.199 52.037 0.037 0.000 0.620 422 A CB -0.653 18.356 19.000 0.014 0.000 0.819 422 A HN 0.513 nan 8.150 nan 0.000 0.442 423 S N -0.072 115.671 115.700 0.072 0.000 2.368 423 S HA -0.079 4.390 4.470 -0.000 0.000 0.224 423 S C 1.793 176.418 174.600 0.041 0.000 1.029 423 S CA 1.450 59.687 58.200 0.062 0.000 0.988 423 S CB -0.454 62.803 63.200 0.096 0.000 0.838 423 S HN 0.543 nan 8.310 nan 0.000 0.462 424 I N 1.645 122.257 120.570 0.070 0.000 2.315 424 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 424 I C 2.715 178.932 176.117 0.168 0.000 1.117 424 I CA 0.906 62.271 61.300 0.108 0.000 1.404 424 I CB -0.553 37.517 38.000 0.117 0.000 1.071 424 I HN 0.254 nan 8.210 nan 0.000 0.419 425 A N 0.727 123.626 122.820 0.132 0.000 1.851 425 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 425 A C 2.468 180.112 177.584 0.099 0.000 1.195 425 A CA 1.891 54.013 52.037 0.141 0.000 0.622 425 A CB -1.163 17.893 19.000 0.093 0.000 0.831 425 A HN 0.199 nan 8.150 nan 0.000 0.444 426 V N 0.599 120.544 119.914 0.053 0.000 2.317 426 V HA -0.345 3.775 4.120 -0.000 0.000 0.251 426 V C 2.619 178.686 176.094 -0.046 0.000 1.065 426 V CA 2.612 64.926 62.300 0.022 0.000 1.049 426 V CB -0.648 31.191 31.823 0.026 0.000 0.651 426 V HN 0.735 nan 8.190 nan 0.000 0.450 427 K N -1.078 119.252 120.400 -0.117 0.000 2.152 427 K HA -0.200 4.120 4.320 -0.000 0.000 0.206 427 K C 1.302 177.467 176.600 -0.725 0.000 1.048 427 K CA 1.861 57.925 56.287 -0.372 0.000 0.933 427 K CB -0.114 32.125 32.500 -0.435 0.000 0.721 427 K HN 0.591 nan 8.250 nan 0.000 0.447 428 Y N 0.194 120.388 120.300 -0.176 0.000 2.681 428 Y HA 0.215 4.765 4.550 -0.000 0.000 0.267 428 Y C -0.274 175.622 175.900 -0.008 0.000 1.166 428 Y CA -0.276 57.684 58.100 -0.233 0.000 1.209 428 Y CB 1.004 39.500 38.460 0.060 0.000 1.161 428 Y HN -0.184 nan 8.280 nan 0.000 0.534 429 T N 1.586 116.188 114.554 0.080 0.000 2.824 429 T HA 0.229 4.579 4.350 -0.000 0.000 0.280 429 T C -0.196 174.622 174.700 0.196 0.000 0.995 429 T CA -0.902 61.270 62.100 0.120 0.000 1.009 429 T CB 1.181 70.079 68.868 0.050 0.000 0.955 429 T HN -0.067 nan 8.240 nan 0.000 0.452 430 Q N 1.998 121.906 119.800 0.181 0.000 2.286 430 Q HA 0.146 4.486 4.340 -0.000 0.000 0.290 430 Q C 0.244 176.224 176.000 -0.034 0.000 1.049 430 Q CA 0.275 56.117 55.803 0.064 0.000 0.923 430 Q CB 0.348 29.131 28.738 0.075 0.000 1.183 430 Q HN 0.587 nan 8.270 nan 0.000 0.383 431 S N 2.278 117.831 115.700 -0.245 0.000 2.592 431 S HA 0.121 4.591 4.470 -0.000 0.000 0.271 431 S C 0.619 175.172 174.600 -0.078 0.000 1.326 431 S CA -0.703 57.355 58.200 -0.237 0.000 1.024 431 S CB 0.413 63.282 63.200 -0.551 0.000 0.921 431 S HN 0.670 nan 8.310 nan 0.000 0.527 432 N N 0.096 118.757 118.700 -0.065 0.000 2.483 432 N HA 0.332 5.072 4.740 -0.000 0.000 0.269 432 N C -1.141 174.385 175.510 0.026 0.000 1.209 432 N CA -0.577 52.442 53.050 -0.051 0.000 0.969 432 N CB 0.617 39.080 38.487 -0.039 0.000 1.173 432 N HN 0.395 nan 8.380 nan 0.000 0.475 433 S N 0.289 116.031 115.700 0.069 0.000 2.540 433 S HA 0.475 4.945 4.470 -0.000 0.000 0.275 433 S C -0.913 173.748 174.600 0.101 0.000 1.123 433 S CA -0.771 57.476 58.200 0.079 0.000 0.907 433 S CB 1.884 65.123 63.200 0.066 0.000 1.081 433 S HN 0.461 nan 8.310 nan 0.000 0.476 434 V N 1.296 121.275 119.914 0.108 0.000 2.709 434 V HA 0.620 4.740 4.120 -0.000 0.000 0.308 434 V C -0.740 175.418 176.094 0.107 0.000 1.062 434 V CA -0.692 61.674 62.300 0.109 0.000 0.901 434 V CB 1.748 33.653 31.823 0.136 0.000 1.003 434 V HN 1.087 nan 8.190 nan 0.000 0.425 435 C N 5.405 124.737 119.300 0.053 0.000 2.441 435 C HA 0.749 5.209 4.460 -0.000 0.000 0.318 435 C C -1.022 173.981 174.990 0.022 0.000 1.222 435 C CA -0.622 58.445 59.018 0.083 0.000 1.474 435 C CB 0.438 28.214 27.740 0.059 0.000 2.125 435 C HN 0.778 nan 8.230 nan 0.000 0.479 436 Y N 3.799 124.100 120.300 0.001 0.000 2.326 436 Y HA 0.619 5.169 4.550 -0.000 0.000 0.337 436 Y C 0.634 176.478 175.900 -0.093 0.000 1.023 436 Y CA -0.064 58.019 58.100 -0.029 0.000 1.143 436 Y CB 1.321 39.761 38.460 -0.033 0.000 1.183 436 Y HN 0.923 nan 8.280 nan 0.000 0.485 437 A N 4.138 126.975 122.820 0.029 0.000 2.435 437 A HA 0.876 5.196 4.320 -0.000 0.000 0.304 437 A C -1.067 176.469 177.584 -0.081 0.000 1.064 437 A CA -0.833 51.169 52.037 -0.059 0.000 0.727 437 A CB 1.966 20.943 19.000 -0.038 0.000 1.284 437 A HN 0.694 nan 8.150 nan 0.000 0.415 438 K N 0.946 121.263 120.400 -0.140 0.000 2.587 438 K HA 0.391 4.710 4.320 -0.000 0.000 0.276 438 K C -1.311 175.258 176.600 -0.051 0.000 0.956 438 K CA -0.431 55.801 56.287 -0.091 0.000 0.857 438 K CB 1.275 33.709 32.500 -0.111 0.000 1.431 438 K HN 0.639 nan 8.250 nan 0.000 0.420 439 D N 1.464 121.873 120.400 0.017 0.000 2.811 439 D HA -0.194 4.446 4.640 -0.000 0.000 0.231 439 D C 0.546 176.877 176.300 0.052 0.000 1.157 439 D CA 2.090 56.130 54.000 0.067 0.000 0.716 439 D CB -1.320 39.579 40.800 0.165 0.000 1.077 439 D HN 1.046 nan 8.370 nan 0.000 0.428 440 G N -0.282 108.525 108.800 0.011 0.000 2.136 440 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.242 440 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.242 440 G C 0.039 174.948 174.900 0.015 0.000 0.989 440 G CA 0.768 45.876 45.100 0.014 0.000 0.682 440 G HN 0.807 nan 8.290 nan 0.000 0.522 441 Q N -1.015 118.776 119.800 -0.014 0.000 2.379 441 Q HA 0.717 5.057 4.340 -0.000 0.000 0.278 441 Q C -0.305 175.636 176.000 -0.098 0.000 1.068 441 Q CA -1.222 54.564 55.803 -0.029 0.000 0.816 441 Q CB 2.324 31.064 28.738 0.003 0.000 1.387 441 Q HN 0.363 nan 8.270 nan 0.000 0.413 442 V N 3.697 123.573 119.914 -0.064 0.000 2.644 442 V HA -0.071 4.049 4.120 -0.000 0.000 0.305 442 V C 1.042 176.996 176.094 -0.234 0.000 1.053 442 V CA 0.993 63.242 62.300 -0.084 0.000 1.186 442 V CB -0.196 31.619 31.823 -0.014 0.000 0.895 442 V HN 0.885 nan 8.190 nan 0.000 0.490 443 I N 1.599 121.976 120.570 -0.321 0.000 4.227 443 I HA 0.652 4.822 4.170 -0.000 0.000 0.334 443 I C 0.744 176.728 176.117 -0.222 0.000 1.341 443 I CA 0.261 61.187 61.300 -0.624 0.000 1.123 443 I CB 0.899 38.167 38.000 -1.220 0.000 1.097 443 I HN 0.623 nan 8.210 nan 0.000 0.399 444 G N 2.264 111.032 108.800 -0.054 0.000 2.505 444 G HA2 0.565 4.525 3.960 -0.000 0.000 0.292 444 G HA3 0.565 4.525 3.960 -0.000 0.000 0.292 444 G C -1.876 173.105 174.900 0.134 0.000 1.332 444 G CA -0.302 44.813 45.100 0.025 0.000 1.286 444 G HN 0.148 nan 8.290 nan 0.000 0.606 445 I N 2.066 122.697 120.570 0.102 0.000 2.498 445 I HA 0.772 4.942 4.170 -0.000 0.000 0.290 445 I C 0.362 176.541 176.117 0.104 0.000 1.032 445 I CA -0.793 60.574 61.300 0.111 0.000 1.073 445 I CB 2.012 40.051 38.000 0.065 0.000 1.251 445 I HN 0.570 nan 8.210 nan 0.000 0.426 446 G N 5.611 114.483 108.800 0.120 0.000 2.416 446 G HA2 0.778 4.737 3.960 -0.000 0.000 0.324 446 G HA3 0.778 4.737 3.960 -0.000 0.000 0.324 446 G C -1.344 173.602 174.900 0.076 0.000 1.194 446 G CA -0.418 44.742 45.100 0.099 0.000 0.922 446 G HN 0.814 nan 8.290 nan 0.000 0.467 447 A N 0.905 123.761 122.820 0.060 0.000 2.435 447 A HA 0.835 5.155 4.320 -0.000 0.000 0.304 447 A C 0.909 178.519 177.584 0.043 0.000 1.064 447 A CA 0.161 52.226 52.037 0.048 0.000 0.727 447 A CB 1.339 20.364 19.000 0.041 0.000 1.284 447 A HN 2.465 nan 8.150 nan 0.000 0.415 448 G N 0.300 109.123 108.800 0.038 0.000 2.166 448 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.260 448 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.260 448 G C 0.209 175.132 174.900 0.038 0.000 0.986 448 G CA 0.736 45.862 45.100 0.044 0.000 0.683 448 G HN 0.800 nan 8.290 nan 0.000 0.527 449 Q N -0.881 118.941 119.800 0.037 0.000 2.249 449 Q HA 0.502 4.841 4.340 -0.000 0.000 0.226 449 Q C 1.373 177.391 176.000 0.030 0.000 0.983 449 Q CA -0.123 55.708 55.803 0.047 0.000 0.930 449 Q CB 0.652 29.434 28.738 0.074 0.000 1.193 449 Q HN 0.602 nan 8.270 nan 0.000 0.508 450 Q N -0.382 119.447 119.800 0.048 0.000 2.353 450 Q HA 0.130 4.469 4.340 -0.000 0.000 0.240 450 Q C 0.148 176.150 176.000 0.003 0.000 0.868 450 Q CA 0.036 55.850 55.803 0.019 0.000 0.944 450 Q CB 1.032 29.787 28.738 0.029 0.000 1.104 450 Q HN 0.536 nan 8.270 nan 0.000 0.531 451 S N -0.489 115.217 115.700 0.009 0.000 2.501 451 S HA 0.385 4.854 4.470 -0.000 0.000 0.301 451 S C 0.351 174.920 174.600 -0.052 0.000 1.096 451 S CA -0.668 57.479 58.200 -0.088 0.000 1.063 451 S CB 2.091 65.090 63.200 -0.334 0.000 1.042 451 S HN 0.103 nan 8.310 nan 0.000 0.494 452 R N 2.474 122.942 120.500 -0.055 0.000 2.075 452 R HA 0.057 4.396 4.340 -0.000 0.000 0.232 452 R C 1.824 178.098 176.300 -0.044 0.000 1.126 452 R CA 1.906 57.992 56.100 -0.024 0.000 0.963 452 R CB -1.064 29.222 30.300 -0.022 0.000 0.858 452 R HN 0.742 nan 8.270 nan 0.000 0.435 453 I N 0.500 121.021 120.570 -0.082 0.000 2.394 453 I HA -0.194 3.976 4.170 -0.000 0.000 0.251 453 I C 1.392 177.537 176.117 0.047 0.000 1.136 453 I CA 1.571 62.833 61.300 -0.064 0.000 1.425 453 I CB -0.507 37.455 38.000 -0.064 0.000 1.079 453 I HN 0.251 nan 8.210 nan 0.000 0.425 454 H N -1.069 118.005 119.070 0.007 0.000 2.387 454 H HA -0.142 4.413 4.556 -0.000 0.000 0.299 454 H C 2.478 177.822 175.328 0.026 0.000 1.090 454 H CA 1.482 57.538 56.048 0.014 0.000 1.332 454 H CB -1.070 28.700 29.762 0.013 0.000 1.386 454 H HN 0.428 nan 8.280 nan 0.000 0.516 455 C N 0.468 119.859 119.300 0.150 0.000 2.486 455 C HA -0.079 4.381 4.460 -0.000 0.000 0.279 455 C C 2.791 177.861 174.990 0.132 0.000 1.302 455 C CA 1.375 60.465 59.018 0.120 0.000 1.720 455 C CB -0.975 26.824 27.740 0.098 0.000 2.030 455 C HN 0.557 nan 8.230 nan 0.000 0.490 456 T N 0.525 115.141 114.554 0.104 0.000 2.746 456 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 456 T C 1.930 176.740 174.700 0.184 0.000 1.039 456 T CA 1.395 63.578 62.100 0.139 0.000 1.142 456 T CB -0.278 68.570 68.868 -0.034 0.000 0.866 456 T HN 0.592 nan 8.240 nan 0.000 0.444 457 R N 0.263 120.833 120.500 0.116 0.000 2.073 457 R HA -0.017 4.323 4.340 -0.000 0.000 0.234 457 R C 2.418 178.759 176.300 0.068 0.000 1.134 457 R CA 1.099 57.252 56.100 0.089 0.000 0.952 457 R CB -0.679 29.672 30.300 0.085 0.000 0.850 457 R HN 0.220 nan 8.270 nan 0.000 0.433 458 L N 0.748 122.019 121.223 0.079 0.000 1.989 458 L HA -0.172 4.168 4.340 -0.000 0.000 0.211 458 L C 2.293 179.198 176.870 0.057 0.000 1.071 458 L CA 2.206 57.081 54.840 0.059 0.000 0.749 458 L CB -0.661 41.438 42.059 0.066 0.000 0.890 458 L HN 0.178 nan 8.230 nan 0.000 0.431 459 A N -0.789 122.098 122.820 0.111 0.000 1.930 459 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 459 A C 2.319 179.823 177.584 -0.134 0.000 1.175 459 A CA 1.434 53.546 52.037 0.126 0.000 0.627 459 A CB -1.562 17.642 19.000 0.339 0.000 0.815 459 A HN 0.560 nan 8.150 nan 0.000 0.443 460 G N 0.062 108.757 108.800 -0.174 0.000 2.446 460 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 460 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 460 G C 1.117 175.849 174.900 -0.279 0.000 1.168 460 G CA 1.250 46.044 45.100 -0.511 0.000 0.771 460 G HN 0.467 nan 8.290 nan 0.000 0.551 461 D N 0.675 121.018 120.400 -0.096 0.000 2.117 461 D HA -0.047 4.593 4.640 -0.000 0.000 0.197 461 D C 2.448 178.753 176.300 0.008 0.000 0.987 461 D CA 0.798 54.784 54.000 -0.023 0.000 0.829 461 D CB -0.195 40.608 40.800 0.005 0.000 0.961 461 D HN 0.300 nan 8.370 nan 0.000 0.460 462 K N 0.612 121.012 120.400 0.001 0.000 2.103 462 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 462 K C 2.085 178.745 176.600 0.100 0.000 1.048 462 K CA 1.157 57.479 56.287 0.058 0.000 0.930 462 K CB -0.067 32.465 32.500 0.053 0.000 0.716 462 K HN 0.044 nan 8.250 nan 0.000 0.444 463 A N 1.599 124.403 122.820 -0.028 0.000 1.969 463 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 463 A C 1.732 179.467 177.584 0.251 0.000 1.169 463 A CA 1.401 53.465 52.037 0.046 0.000 0.635 463 A CB -0.574 18.253 19.000 -0.287 0.000 0.810 463 A HN 0.350 nan 8.150 nan 0.000 0.445 464 N N -0.084 118.705 118.700 0.148 0.000 2.069 464 N HA -0.146 4.594 4.740 -0.000 0.000 0.191 464 N C 1.978 177.675 175.510 0.312 0.000 1.031 464 N CA 1.486 54.679 53.050 0.239 0.000 0.852 464 N CB -0.129 38.439 38.487 0.136 0.000 1.018 464 N HN 0.428 nan 8.380 nan 0.000 0.423 465 S N 0.350 116.197 115.700 0.246 0.000 2.353 465 S HA -0.185 4.285 4.470 -0.000 0.000 0.222 465 S C 1.437 176.233 174.600 0.327 0.000 1.035 465 S CA 1.072 59.414 58.200 0.237 0.000 1.025 465 S CB -0.472 62.843 63.200 0.191 0.000 0.902 465 S HN 0.509 nan 8.310 nan 0.000 0.440 466 W N 1.522 122.960 121.300 0.230 0.000 2.318 466 W HA -0.191 4.469 4.660 -0.000 0.000 0.313 466 W C 2.224 179.046 176.519 0.505 0.000 1.221 466 W CA 1.649 59.180 57.345 0.310 0.000 1.266 466 W CB -0.612 29.006 29.460 0.262 0.000 1.150 466 W HN 0.444 nan 8.180 nan 0.000 0.496 467 W N 0.451 121.964 121.300 0.354 0.000 2.379 467 W HA -0.218 4.442 4.660 -0.000 0.000 0.307 467 W C 1.922 178.688 176.519 0.412 0.000 1.200 467 W CA 1.403 58.852 57.345 0.173 0.000 1.297 467 W CB -0.656 28.971 29.460 0.278 0.000 1.140 467 W HN -0.142 nan 8.180 nan 0.000 0.507 468 L N 0.712 122.082 121.223 0.245 0.000 2.191 468 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 468 L C 2.570 179.370 176.870 -0.116 0.000 1.103 468 L CA 1.200 56.043 54.840 0.006 0.000 0.769 468 L CB -0.629 41.475 42.059 0.076 0.000 0.908 468 L HN -0.060 nan 8.230 nan 0.000 0.438 469 R N -1.217 119.275 120.500 -0.013 0.000 2.285 469 R HA -0.121 4.219 4.340 -0.000 0.000 0.213 469 R C 1.721 177.868 176.300 -0.255 0.000 1.068 469 R CA 0.662 56.706 56.100 -0.094 0.000 1.004 469 R CB -0.164 30.086 30.300 -0.083 0.000 0.873 469 R HN 0.442 nan 8.270 nan 0.000 0.467 470 H N -1.613 117.240 119.070 -0.362 0.000 2.551 470 H HA 0.036 4.592 4.556 -0.000 0.000 0.266 470 H C 0.394 175.421 175.328 -0.502 0.000 0.964 470 H CA 0.133 55.964 56.048 -0.363 0.000 1.180 470 H CB -0.135 29.383 29.762 -0.406 0.000 1.408 470 H HN 0.087 nan 8.280 nan 0.000 0.563 471 H N 2.240 120.780 119.070 -0.884 0.000 3.094 471 H HA -0.061 4.495 4.556 -0.000 0.000 0.320 471 H C -1.532 173.376 175.328 -0.700 0.000 1.000 471 H CA -1.278 53.915 56.048 -1.425 0.000 1.413 471 H CB 1.127 30.103 29.762 -1.311 0.000 1.405 471 H HN 0.137 nan 8.280 nan 0.000 0.586 472 P HA -0.166 nan 4.420 nan 0.000 0.217 472 P C 1.513 178.766 177.300 -0.078 0.000 1.148 472 P CA 1.517 64.473 63.100 -0.241 0.000 0.834 472 P CB 0.048 31.612 31.700 -0.227 0.000 0.783 473 R N -0.557 120.000 120.500 0.094 0.000 2.193 473 R HA -0.023 4.317 4.340 -0.000 0.000 0.213 473 R C 1.768 177.998 176.300 -0.116 0.000 1.055 473 R CA 0.694 56.781 56.100 -0.021 0.000 0.995 473 R CB -0.287 29.988 30.300 -0.042 0.000 0.893 473 R HN 0.053 nan 8.270 nan 0.000 0.459 474 V N 0.879 120.728 119.914 -0.110 0.000 2.346 474 V HA -0.186 3.934 4.120 -0.000 0.000 0.244 474 V C 2.240 178.272 176.094 -0.104 0.000 1.037 474 V CA 1.318 63.540 62.300 -0.130 0.000 1.029 474 V CB -0.335 31.437 31.823 -0.085 0.000 0.663 474 V HN 0.294 nan 8.190 nan 0.000 0.454 475 L N 1.176 122.324 121.223 -0.125 0.000 2.043 475 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 475 L C 2.301 179.115 176.870 -0.094 0.000 1.075 475 L CA 2.032 56.801 54.840 -0.118 0.000 0.752 475 L CB -0.686 41.292 42.059 -0.136 0.000 0.891 475 L HN 0.557 nan 8.230 nan 0.000 0.432 476 S N -1.623 114.020 115.700 -0.094 0.000 2.710 476 S HA 0.160 4.630 4.470 -0.000 0.000 0.224 476 S C 0.694 175.244 174.600 -0.084 0.000 0.948 476 S CA -0.345 57.804 58.200 -0.084 0.000 0.949 476 S CB -0.345 62.807 63.200 -0.080 0.000 0.778 476 S HN 0.183 nan 8.310 nan 0.000 0.498 477 M N 2.205 121.759 119.600 -0.076 0.000 2.246 477 M HA 0.181 4.661 4.480 -0.000 0.000 0.350 477 M C -0.480 175.802 176.300 -0.029 0.000 1.406 477 M CA 0.446 55.698 55.300 -0.080 0.000 1.089 477 M CB 0.325 32.913 32.600 -0.019 0.000 1.782 477 M HN 0.025 nan 8.290 nan 0.000 0.457 478 K N 3.974 124.333 120.400 -0.067 0.000 2.316 478 K HA 0.438 4.758 4.320 -0.000 0.000 0.267 478 K C -1.227 175.291 176.600 -0.137 0.000 1.025 478 K CA -0.086 56.178 56.287 -0.038 0.000 0.896 478 K CB 0.856 33.333 32.500 -0.038 0.000 1.124 478 K HN 0.295 nan 8.250 nan 0.000 0.451 479 F N 1.622 121.475 119.950 -0.162 0.000 2.371 479 F HA 0.290 4.817 4.527 -0.000 0.000 0.329 479 F C 0.959 176.633 175.800 -0.209 0.000 1.107 479 F CA -0.634 57.166 58.000 -0.334 0.000 1.137 479 F CB 0.849 39.603 39.000 -0.409 0.000 1.214 479 F HN 0.164 nan 8.300 nan 0.000 0.536 480 K N 1.338 121.715 120.400 -0.038 0.000 2.451 480 K HA 0.153 4.473 4.320 -0.000 0.000 0.280 480 K C 0.713 177.302 176.600 -0.018 0.000 1.020 480 K CA 0.143 56.409 56.287 -0.035 0.000 1.008 480 K CB 0.589 33.055 32.500 -0.056 0.000 0.917 480 K HN 0.778 nan 8.250 nan 0.000 0.478 481 A N 3.299 126.107 122.820 -0.020 0.000 2.259 481 A HA -0.078 4.242 4.320 -0.000 0.000 0.212 481 A C 1.677 179.240 177.584 -0.035 0.000 1.178 481 A CA 1.570 53.593 52.037 -0.024 0.000 0.734 481 A CB -0.425 18.564 19.000 -0.019 0.000 0.774 481 A HN 0.924 nan 8.150 nan 0.000 0.481 482 G N -1.210 107.566 108.800 -0.039 0.000 2.796 482 G HA2 0.307 4.267 3.960 -0.000 0.000 0.210 482 G HA3 0.307 4.267 3.960 -0.000 0.000 0.210 482 G C 0.452 175.316 174.900 -0.059 0.000 1.146 482 G CA 0.226 45.300 45.100 -0.043 0.000 0.779 482 G HN 0.224 nan 8.290 nan 0.000 0.535 483 V N 2.701 122.567 119.914 -0.079 0.000 2.557 483 V HA 0.071 4.191 4.120 -0.000 0.000 0.301 483 V C 0.266 176.274 176.094 -0.143 0.000 1.026 483 V CA -0.215 62.012 62.300 -0.121 0.000 1.137 483 V CB 0.706 32.431 31.823 -0.164 0.000 0.917 483 V HN 0.159 nan 8.190 nan 0.000 0.484 484 K N 4.102 124.433 120.400 -0.114 0.000 2.295 484 K HA 0.156 4.475 4.320 -0.000 0.000 0.270 484 K C 1.144 177.666 176.600 -0.131 0.000 1.011 484 K CA -0.371 55.862 56.287 -0.090 0.000 0.953 484 K CB 0.695 33.175 32.500 -0.033 0.000 0.956 484 K HN 0.526 nan 8.250 nan 0.000 0.477 485 R N 2.257 122.697 120.500 -0.101 0.000 2.159 485 R HA -0.272 4.067 4.340 -0.000 0.000 0.249 485 R C 1.863 178.126 176.300 -0.063 0.000 1.136 485 R CA 2.595 58.637 56.100 -0.097 0.000 0.951 485 R CB -0.731 29.542 30.300 -0.045 0.000 0.876 485 R HN 0.789 nan 8.270 nan 0.000 0.440 486 A N -0.222 122.614 122.820 0.025 0.000 2.014 486 A HA -0.099 4.220 4.320 -0.000 0.000 0.218 486 A C 1.916 179.506 177.584 0.011 0.000 1.163 486 A CA 1.522 53.624 52.037 0.108 0.000 0.652 486 A CB -0.362 18.826 19.000 0.313 0.000 0.808 486 A HN 0.568 nan 8.150 nan 0.000 0.449 487 E N -0.324 119.847 120.200 -0.049 0.000 2.107 487 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 487 E C 1.920 178.430 176.600 -0.149 0.000 0.982 487 E CA 1.035 57.388 56.400 -0.079 0.000 0.809 487 E CB -0.225 29.422 29.700 -0.088 0.000 0.756 487 E HN 0.375 nan 8.360 nan 0.000 0.459 488 V N 1.215 120.935 119.914 -0.323 0.000 2.282 488 V HA -0.310 3.809 4.120 -0.000 0.000 0.249 488 V C 2.264 178.237 176.094 -0.202 0.000 1.057 488 V CA 2.059 64.013 62.300 -0.576 0.000 1.032 488 V CB -0.543 30.837 31.823 -0.738 0.000 0.645 488 V HN 0.220 nan 8.190 nan 0.000 0.447 489 S N 0.321 115.968 115.700 -0.089 0.000 2.359 489 S HA -0.208 4.262 4.470 -0.000 0.000 0.224 489 S C 1.891 176.539 174.600 0.080 0.000 1.035 489 S CA 1.585 59.797 58.200 0.020 0.000 1.018 489 S CB -0.520 62.711 63.200 0.052 0.000 0.876 489 S HN 0.609 nan 8.310 nan 0.000 0.448 490 N N 1.611 120.353 118.700 0.069 0.000 2.166 490 N HA -0.011 4.729 4.740 -0.000 0.000 0.186 490 N C 1.739 177.382 175.510 0.222 0.000 1.019 490 N CA 1.265 54.380 53.050 0.109 0.000 0.856 490 N CB -0.475 38.052 38.487 0.067 0.000 0.993 490 N HN 0.442 nan 8.380 nan 0.000 0.426 491 A N 0.900 123.894 122.820 0.290 0.000 1.874 491 A HA 0.052 4.372 4.320 -0.000 0.000 0.214 491 A C 2.340 180.350 177.584 0.709 0.000 1.189 491 A CA 0.531 52.929 52.037 0.602 0.000 0.615 491 A CB -0.503 18.781 19.000 0.473 0.000 0.830 491 A HN 0.150 nan 8.150 nan 0.000 0.443 492 I N -0.043 120.813 120.570 0.476 0.000 2.163 492 I HA -0.282 3.887 4.170 -0.000 0.000 0.243 492 I C 2.298 178.606 176.117 0.318 0.000 1.085 492 I CA 1.973 63.508 61.300 0.392 0.000 1.347 492 I CB -0.416 37.732 38.000 0.248 0.000 1.044 492 I HN 0.437 nan 8.210 nan 0.000 0.408 493 D N 0.543 121.082 120.400 0.232 0.000 2.106 493 D HA -0.265 4.375 4.640 -0.000 0.000 0.191 493 D C 2.219 178.602 176.300 0.138 0.000 0.997 493 D CA 1.773 55.873 54.000 0.167 0.000 0.834 493 D CB -0.005 40.874 40.800 0.130 0.000 0.956 493 D HN 0.302 nan 8.370 nan 0.000 0.448 494 Q N -1.381 118.505 119.800 0.144 0.000 2.096 494 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 494 Q C 1.936 177.909 176.000 -0.046 0.000 0.982 494 Q CA 1.551 57.377 55.803 0.038 0.000 0.850 494 Q CB -0.322 28.434 28.738 0.031 0.000 0.901 494 Q HN 0.495 nan 8.270 nan 0.000 0.422 495 Y N 0.931 121.177 120.300 -0.091 0.000 2.036 495 Y HA -0.292 4.258 4.550 -0.000 0.000 0.273 495 Y C 2.254 178.086 175.900 -0.114 0.000 1.135 495 Y CA 1.870 59.872 58.100 -0.164 0.000 1.106 495 Y CB -0.555 37.955 38.460 0.083 0.000 0.976 495 Y HN 0.045 nan 8.280 nan 0.000 0.483 496 V N -1.737 118.229 119.914 0.086 0.000 2.594 496 V HA -0.193 3.927 4.120 -0.000 0.000 0.253 496 V C 1.851 177.909 176.094 -0.061 0.000 1.069 496 V CA 2.346 64.636 62.300 -0.016 0.000 1.082 496 V CB -1.808 30.075 31.823 0.100 0.000 0.680 496 V HN 0.661 nan 8.190 nan 0.000 0.469 497 T N -2.965 111.565 114.554 -0.039 0.000 3.107 497 T HA 0.386 4.736 4.350 -0.000 0.000 0.249 497 T C 1.568 176.208 174.700 -0.099 0.000 1.096 497 T CA 0.593 62.667 62.100 -0.044 0.000 1.012 497 T CB -0.118 68.748 68.868 -0.004 0.000 0.977 497 T HN 1.702 nan 8.240 nan 0.000 0.527 498 G N 2.115 110.809 108.800 -0.177 0.000 2.273 498 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.280 498 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.280 498 G C 0.477 175.278 174.900 -0.166 0.000 1.047 498 G CA 0.565 45.535 45.100 -0.217 0.000 0.869 498 G HN 1.074 nan 8.290 nan 0.000 0.502 499 T N -2.574 111.894 114.554 -0.144 0.000 3.215 499 T HA 0.493 4.843 4.350 -0.000 0.000 0.271 499 T C 2.059 176.683 174.700 -0.127 0.000 1.012 499 T CA 0.269 62.305 62.100 -0.106 0.000 0.899 499 T CB 0.137 68.972 68.868 -0.055 0.000 1.089 499 T HN 0.303 nan 8.240 nan 0.000 0.552 500 I N 1.830 122.261 120.570 -0.232 0.000 2.208 500 I HA 0.125 4.295 4.170 -0.000 0.000 0.245 500 I C 1.809 177.839 176.117 -0.145 0.000 1.097 500 I CA 1.536 62.657 61.300 -0.298 0.000 1.363 500 I CB -0.756 36.863 38.000 -0.634 0.000 1.051 500 I HN 0.738 nan 8.210 nan 0.000 0.413 501 G N 0.545 109.268 108.800 -0.130 0.000 2.549 501 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.404 501 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.404 501 G C -0.740 174.119 174.900 -0.068 0.000 1.292 501 G CA -0.684 44.373 45.100 -0.071 0.000 0.935 501 G HN 0.278 nan 8.290 nan 0.000 0.512 502 E N -0.138 120.041 120.200 -0.036 0.000 2.412 502 E HA 0.577 4.927 4.350 -0.000 0.000 0.255 502 E C 0.522 177.122 176.600 -0.000 0.000 0.933 502 E CA -0.197 56.188 56.400 -0.026 0.000 0.823 502 E CB 1.302 30.985 29.700 -0.029 0.000 1.352 502 E HN 0.660 nan 8.360 nan 0.000 0.406 503 D N 0.410 120.813 120.400 0.004 0.000 3.910 503 D HA -0.314 4.326 4.640 -0.000 0.000 0.153 503 D C 1.242 177.559 176.300 0.029 0.000 0.802 503 D CA 1.514 55.523 54.000 0.014 0.000 1.009 503 D CB -0.470 40.335 40.800 0.007 0.000 0.453 503 D HN 0.536 nan 8.370 nan 0.000 0.422 504 E N 1.013 121.229 120.200 0.027 0.000 2.097 504 E HA -0.184 4.165 4.350 -0.000 0.000 0.196 504 E C 1.675 178.308 176.600 0.056 0.000 1.000 504 E CA 1.596 58.018 56.400 0.037 0.000 0.804 504 E CB -0.331 29.386 29.700 0.028 0.000 0.740 504 E HN 0.387 nan 8.360 nan 0.000 0.454 505 D N 0.477 120.909 120.400 0.052 0.000 2.117 505 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 505 D C 2.144 178.518 176.300 0.122 0.000 0.982 505 D CA 0.457 54.501 54.000 0.073 0.000 0.828 505 D CB -0.285 40.540 40.800 0.042 0.000 0.967 505 D HN 0.110 nan 8.370 nan 0.000 0.464 506 L N 1.122 122.403 121.223 0.097 0.000 2.046 506 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 506 L C 2.258 179.261 176.870 0.221 0.000 1.077 506 L CA 1.237 56.162 54.840 0.143 0.000 0.747 506 L CB -0.477 41.622 42.059 0.066 0.000 0.896 506 L HN -0.166 nan 8.230 nan 0.000 0.432 507 V N 0.004 120.003 119.914 0.142 0.000 2.332 507 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 507 V C 2.591 178.770 176.094 0.141 0.000 1.055 507 V CA 2.208 64.581 62.300 0.122 0.000 1.038 507 V CB -0.772 31.095 31.823 0.074 0.000 0.651 507 V HN 0.487 nan 8.190 nan 0.000 0.450 508 K N -1.272 119.217 120.400 0.149 0.000 2.026 508 K HA -0.245 4.075 4.320 -0.000 0.000 0.208 508 K C 1.983 178.700 176.600 0.195 0.000 1.048 508 K CA 1.953 58.324 56.287 0.140 0.000 0.929 508 K CB -0.378 32.195 32.500 0.122 0.000 0.713 508 K HN 0.610 nan 8.250 nan 0.000 0.439 509 W N 2.734 124.089 121.300 0.091 0.000 2.335 509 W HA -0.219 4.441 4.660 -0.000 0.000 0.311 509 W C 2.008 178.665 176.519 0.230 0.000 1.213 509 W CA 1.575 59.012 57.345 0.153 0.000 1.274 509 W CB -0.151 29.398 29.460 0.149 0.000 1.148 509 W HN 0.080 nan 8.180 nan 0.000 0.498 510 Q N -0.174 119.780 119.800 0.257 0.000 2.181 510 Q HA -0.179 4.161 4.340 -0.000 0.000 0.205 510 Q C 2.283 178.293 176.000 0.016 0.000 0.980 510 Q CA 1.564 57.391 55.803 0.041 0.000 0.862 510 Q CB -0.677 28.145 28.738 0.140 0.000 0.905 510 Q HN 0.389 nan 8.270 nan 0.000 0.429 511 A N 0.317 123.150 122.820 0.021 0.000 2.225 511 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 511 A C 1.776 179.319 177.584 -0.069 0.000 1.164 511 A CA 0.857 52.889 52.037 -0.010 0.000 0.710 511 A CB -0.369 18.635 19.000 0.008 0.000 0.780 511 A HN 0.316 nan 8.150 nan 0.000 0.473 512 M N -1.580 117.925 119.600 -0.159 0.000 2.558 512 M HA 0.180 4.660 4.480 -0.000 0.000 0.255 512 M C -0.680 175.297 176.300 -0.537 0.000 1.113 512 M CA 0.423 55.526 55.300 -0.330 0.000 1.097 512 M CB 0.140 32.462 32.600 -0.463 0.000 1.426 512 M HN 0.362 nan 8.290 nan 0.000 0.488 513 F N -0.776 118.953 119.950 -0.369 0.000 2.458 513 F HA 0.232 4.759 4.527 -0.000 0.000 0.330 513 F C 1.330 176.981 175.800 -0.249 0.000 1.082 513 F CA -0.735 57.006 58.000 -0.431 0.000 0.995 513 F CB 0.851 39.489 39.000 -0.602 0.000 1.170 513 F HN -0.134 nan 8.300 nan 0.000 0.478 514 E N 0.259 120.439 120.200 -0.034 0.000 2.170 514 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 514 E C 0.130 176.709 176.600 -0.035 0.000 0.981 514 E CA 0.607 56.987 56.400 -0.034 0.000 0.830 514 E CB 0.391 30.070 29.700 -0.036 0.000 0.775 514 E HN 0.553 nan 8.360 nan 0.000 0.470 515 E N 0.774 120.948 120.200 -0.044 0.000 2.265 515 E HA 0.185 4.535 4.350 -0.000 0.000 0.262 515 E C -1.205 175.296 176.600 -0.166 0.000 0.889 515 E CA -0.416 55.934 56.400 -0.083 0.000 0.789 515 E CB 1.684 31.336 29.700 -0.079 0.000 1.221 515 E HN -0.198 nan 8.360 nan 0.000 0.414 516 V N 5.807 125.598 119.914 -0.205 0.000 2.521 516 V HA 0.214 4.334 4.120 -0.000 0.000 0.286 516 V C -1.822 174.034 176.094 -0.397 0.000 1.034 516 V CA -0.851 61.214 62.300 -0.392 0.000 1.045 516 V CB 0.375 32.072 31.823 -0.211 0.000 0.974 516 V HN 0.639 nan 8.190 nan 0.000 0.480 517 P HA 0.540 nan 4.420 nan 0.000 0.298 517 P C -0.614 176.632 177.300 -0.091 0.000 1.314 517 P CA -0.502 62.392 63.100 -0.343 0.000 0.854 517 P CB 1.473 32.875 31.700 -0.497 0.000 1.019 518 A N 3.358 126.160 122.820 -0.030 0.000 2.462 518 A HA 0.147 4.467 4.320 -0.000 0.000 0.243 518 A C 0.352 177.997 177.584 0.102 0.000 1.076 518 A CA -0.264 51.790 52.037 0.027 0.000 0.773 518 A CB -0.260 18.730 19.000 -0.018 0.000 1.010 518 A HN 0.587 nan 8.150 nan 0.000 0.493 519 Q N 0.668 120.480 119.800 0.021 0.000 2.337 519 Q HA 0.221 4.561 4.340 -0.000 0.000 0.270 519 Q C -0.719 175.145 176.000 -0.227 0.000 1.002 519 Q CA -0.538 55.158 55.803 -0.178 0.000 0.888 519 Q CB 0.475 29.031 28.738 -0.303 0.000 1.222 519 Q HN 0.533 nan 8.270 nan 0.000 0.400 520 L N 2.658 123.652 121.223 -0.381 0.000 2.490 520 L HA 0.020 4.360 4.340 -0.000 0.000 0.274 520 L C 0.974 177.698 176.870 -0.242 0.000 1.201 520 L CA 0.655 55.309 54.840 -0.311 0.000 0.869 520 L CB 0.146 41.952 42.059 -0.422 0.000 1.123 520 L HN 0.747 nan 8.230 nan 0.000 0.484 521 T N -0.602 113.861 114.554 -0.151 0.000 2.788 521 T HA 0.156 4.506 4.350 -0.000 0.000 0.287 521 T C 1.018 175.661 174.700 -0.095 0.000 1.007 521 T CA -0.548 61.486 62.100 -0.111 0.000 1.005 521 T CB 0.730 69.558 68.868 -0.066 0.000 1.012 521 T HN 0.517 nan 8.240 nan 0.000 0.530 522 E N 0.376 120.532 120.200 -0.072 0.000 2.204 522 E HA 0.038 4.388 4.350 -0.000 0.000 0.194 522 E C 2.220 178.813 176.600 -0.012 0.000 0.989 522 E CA 1.316 57.688 56.400 -0.047 0.000 0.824 522 E CB -0.766 28.910 29.700 -0.040 0.000 0.756 522 E HN 0.767 nan 8.360 nan 0.000 0.477 523 A N 0.406 123.222 122.820 -0.007 0.000 1.897 523 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 523 A C 1.953 179.564 177.584 0.046 0.000 1.181 523 A CA 1.460 53.508 52.037 0.019 0.000 0.620 523 A CB -0.357 18.651 19.000 0.013 0.000 0.821 523 A HN 0.228 nan 8.150 nan 0.000 0.443 524 E N -0.052 120.166 120.200 0.030 0.000 2.106 524 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 524 E C 2.027 178.699 176.600 0.121 0.000 0.984 524 E CA 1.194 57.637 56.400 0.071 0.000 0.806 524 E CB -0.102 29.600 29.700 0.003 0.000 0.750 524 E HN 0.557 nan 8.360 nan 0.000 0.458 525 K N 0.996 121.425 120.400 0.049 0.000 2.002 525 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 525 K C 2.123 178.830 176.600 0.179 0.000 1.048 525 K CA 1.119 57.460 56.287 0.090 0.000 0.930 525 K CB -0.069 32.431 32.500 0.000 0.000 0.714 525 K HN -0.039 nan 8.250 nan 0.000 0.438 526 K N 0.969 121.440 120.400 0.119 0.000 2.103 526 K HA -0.224 4.096 4.320 -0.000 0.000 0.207 526 K C 2.330 179.018 176.600 0.148 0.000 1.048 526 K CA 1.400 57.758 56.287 0.117 0.000 0.930 526 K CB -0.033 32.509 32.500 0.070 0.000 0.716 526 K HN 0.211 nan 8.250 nan 0.000 0.444 527 Q N 0.014 119.912 119.800 0.163 0.000 2.079 527 Q HA -0.188 4.152 4.340 -0.000 0.000 0.200 527 Q C 1.868 178.018 176.000 0.249 0.000 0.974 527 Q CA 1.237 57.144 55.803 0.173 0.000 0.840 527 Q CB -0.069 28.769 28.738 0.166 0.000 0.898 527 Q HN 0.512 nan 8.270 nan 0.000 0.430 528 W N 0.675 122.065 121.300 0.149 0.000 2.381 528 W HA -0.162 4.498 4.660 -0.000 0.000 0.301 528 W C 1.529 178.275 176.519 0.379 0.000 1.205 528 W CA 0.953 58.413 57.345 0.192 0.000 1.285 528 W CB -0.086 29.472 29.460 0.164 0.000 1.133 528 W HN 0.187 nan 8.180 nan 0.000 0.521 529 I N 1.331 122.141 120.570 0.400 0.000 2.286 529 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 529 I C 2.603 178.808 176.117 0.147 0.000 1.115 529 I CA 1.499 63.028 61.300 0.380 0.000 1.392 529 I CB -0.720 37.456 38.000 0.293 0.000 1.065 529 I HN -0.084 nan 8.210 nan 0.000 0.418 530 A N 0.138 123.014 122.820 0.093 0.000 2.172 530 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 530 A C 2.106 179.658 177.584 -0.053 0.000 1.154 530 A CA 1.133 53.178 52.037 0.014 0.000 0.701 530 A CB -0.391 18.626 19.000 0.028 0.000 0.789 530 A HN 0.344 nan 8.150 nan 0.000 0.465 531 K N -1.089 119.269 120.400 -0.071 0.000 2.426 531 K HA 0.136 4.456 4.320 -0.000 0.000 0.193 531 K C -0.085 176.320 176.600 -0.326 0.000 1.028 531 K CA -0.258 55.935 56.287 -0.156 0.000 1.047 531 K CB -0.068 32.297 32.500 -0.225 0.000 0.821 531 K HN 0.381 nan 8.250 nan 0.000 0.513 532 L N 1.988 122.882 121.223 -0.549 0.000 2.380 532 L HA 0.093 4.432 4.340 -0.000 0.000 0.273 532 L C 0.066 176.671 176.870 -0.443 0.000 1.138 532 L CA 0.630 54.926 54.840 -0.906 0.000 0.832 532 L CB 0.795 42.133 42.059 -1.202 0.000 1.124 532 L HN 0.106 nan 8.230 nan 0.000 0.454 533 T N 1.580 115.914 114.554 -0.367 0.000 2.901 533 T HA 0.722 5.072 4.350 -0.000 0.000 0.293 533 T C 0.235 174.855 174.700 -0.133 0.000 1.084 533 T CA -0.412 61.565 62.100 -0.205 0.000 1.008 533 T CB 1.472 70.251 68.868 -0.149 0.000 1.170 533 T HN 1.661 nan 8.240 nan 0.000 0.509 534 A N 0.071 122.842 122.820 -0.083 0.000 2.846 534 A HA 0.000 4.320 4.320 -0.000 0.000 0.287 534 A C 0.282 177.943 177.584 0.128 0.000 1.469 534 A CA 0.479 52.553 52.037 0.062 0.000 0.757 534 A CB -2.657 16.422 19.000 0.132 0.000 1.033 534 A HN 1.296 nan 8.150 nan 0.000 0.516 535 V N 0.594 120.528 119.914 0.034 0.000 2.607 535 V HA 0.557 4.676 4.120 -0.000 0.000 0.289 535 V C 0.933 177.109 176.094 0.136 0.000 1.053 535 V CA 0.143 62.478 62.300 0.060 0.000 0.996 535 V CB 1.800 33.648 31.823 0.040 0.000 0.995 535 V HN 0.631 nan 8.190 nan 0.000 0.476 536 S N 3.858 119.628 115.700 0.116 0.000 2.565 536 S HA 0.788 5.257 4.470 -0.000 0.000 0.290 536 S C -0.699 173.894 174.600 -0.011 0.000 1.150 536 S CA -0.430 57.827 58.200 0.096 0.000 1.058 536 S CB 1.473 64.683 63.200 0.018 0.000 1.032 536 S HN 0.560 nan 8.310 nan 0.000 0.510 537 L N 2.149 123.338 121.223 -0.057 0.000 2.436 537 L HA 0.749 5.089 4.340 -0.000 0.000 0.268 537 L C -0.680 176.140 176.870 -0.083 0.000 0.974 537 L CA 0.023 54.762 54.840 -0.169 0.000 0.826 537 L CB 2.154 44.028 42.059 -0.307 0.000 1.291 537 L HN 0.621 nan 8.230 nan 0.000 0.406 538 S N 2.691 118.352 115.700 -0.065 0.000 2.526 538 S HA 0.816 5.286 4.470 -0.000 0.000 0.293 538 S C -1.142 173.458 174.600 0.001 0.000 1.092 538 S CA -0.384 57.804 58.200 -0.019 0.000 0.980 538 S CB 1.564 64.776 63.200 0.021 0.000 1.048 538 S HN 0.800 nan 8.310 nan 0.000 0.483 539 S N 1.434 117.130 115.700 -0.007 0.000 2.503 539 S HA 0.389 4.859 4.470 -0.000 0.000 0.301 539 S C 0.331 174.947 174.600 0.026 0.000 1.087 539 S CA -0.618 57.615 58.200 0.056 0.000 1.042 539 S CB 1.182 64.427 63.200 0.075 0.000 1.043 539 S HN 0.871 nan 8.310 nan 0.000 0.489 540 D N 2.497 122.941 120.400 0.072 0.000 2.355 540 D HA 0.297 4.937 4.640 -0.000 0.000 0.218 540 D C 0.393 176.691 176.300 -0.003 0.000 1.004 540 D CA 0.351 54.386 54.000 0.059 0.000 0.880 540 D CB 0.058 40.940 40.800 0.136 0.000 0.911 540 D HN 0.520 nan 8.370 nan 0.000 0.528 541 A N -0.452 122.372 122.820 0.007 0.000 2.602 541 A HA 0.556 4.875 4.320 -0.000 0.000 0.290 541 A C -0.782 176.754 177.584 -0.079 0.000 1.114 541 A CA -1.092 50.882 52.037 -0.105 0.000 0.683 541 A CB 0.286 19.200 19.000 -0.144 0.000 1.281 541 A HN 0.161 nan 8.150 nan 0.000 0.416 542 F N -0.358 119.565 119.950 -0.046 0.000 2.589 542 F HA 0.588 5.114 4.527 -0.000 0.000 0.352 542 F C -0.625 175.267 175.800 0.153 0.000 1.168 542 F CA -0.681 57.284 58.000 -0.058 0.000 1.353 542 F CB -0.132 38.793 39.000 -0.125 0.000 1.116 542 F HN 0.254 nan 8.300 nan 0.000 0.608 543 F N 3.423 123.508 119.950 0.226 0.000 2.472 543 F HA 0.297 4.824 4.527 -0.000 0.000 0.364 543 F C -1.513 174.433 175.800 0.243 0.000 1.090 543 F CA -2.784 55.306 58.000 0.149 0.000 1.188 543 F CB 0.478 39.559 39.000 0.136 0.000 1.105 543 F HN 0.331 nan 8.300 nan 0.000 0.536 544 P HA -0.041 nan 4.420 nan 0.000 0.217 544 P C -0.355 176.671 177.300 -0.457 0.000 1.151 544 P CA 1.485 64.581 63.100 -0.008 0.000 0.828 544 P CB 0.360 32.000 31.700 -0.100 0.000 0.788 545 F N -2.312 117.735 119.950 0.161 0.000 2.650 545 F HA 0.374 4.901 4.527 -0.000 0.000 0.320 545 F C 1.810 177.654 175.800 0.073 0.000 1.091 545 F CA -1.115 56.944 58.000 0.099 0.000 0.962 545 F CB 1.038 40.067 39.000 0.047 0.000 1.363 545 F HN -0.410 nan 8.300 nan 0.000 0.482 546 R N -0.078 120.597 120.500 0.292 0.000 2.235 546 R HA -0.077 4.263 4.340 -0.000 0.000 0.213 546 R C 0.797 177.144 176.300 0.078 0.000 1.059 546 R CA 1.660 57.858 56.100 0.164 0.000 0.997 546 R CB -0.749 29.633 30.300 0.136 0.000 0.884 546 R HN 0.698 nan 8.270 nan 0.000 0.462 547 D N 1.421 121.864 120.400 0.072 0.000 2.203 547 D HA -0.256 4.383 4.640 -0.000 0.000 0.199 547 D C 1.104 177.369 176.300 -0.058 0.000 0.997 547 D CA 1.420 55.424 54.000 0.007 0.000 0.863 547 D CB -0.626 40.175 40.800 0.001 0.000 0.928 547 D HN 0.290 nan 8.370 nan 0.000 0.458 548 N N 0.355 118.957 118.700 -0.163 0.000 2.084 548 N HA -0.109 4.631 4.740 -0.000 0.000 0.190 548 N C 2.097 177.450 175.510 -0.261 0.000 1.030 548 N CA 1.592 54.384 53.050 -0.430 0.000 0.849 548 N CB -0.256 37.506 38.487 -1.207 0.000 1.012 548 N HN 0.218 nan 8.380 nan 0.000 0.423 549 V N 2.203 122.068 119.914 -0.083 0.000 2.343 549 V HA -0.195 3.924 4.120 -0.000 0.000 0.247 549 V C 1.758 177.871 176.094 0.032 0.000 1.051 549 V CA 1.657 63.993 62.300 0.060 0.000 1.036 549 V CB -0.551 31.342 31.823 0.117 0.000 0.654 549 V HN 0.170 nan 8.190 nan 0.000 0.451 550 D N -0.068 120.342 120.400 0.017 0.000 2.117 550 D HA -0.180 4.460 4.640 -0.000 0.000 0.197 550 D C 2.304 178.618 176.300 0.023 0.000 0.987 550 D CA 1.400 55.411 54.000 0.018 0.000 0.829 550 D CB -0.243 40.565 40.800 0.013 0.000 0.961 550 D HN 0.280 nan 8.370 nan 0.000 0.460 551 R N 1.328 121.840 120.500 0.020 0.000 2.066 551 R HA -0.001 4.339 4.340 -0.000 0.000 0.232 551 R C 2.022 178.384 176.300 0.103 0.000 1.131 551 R CA 1.840 57.970 56.100 0.049 0.000 0.955 551 R CB -0.883 29.443 30.300 0.044 0.000 0.851 551 R HN 0.063 nan 8.270 nan 0.000 0.432 552 A N 0.651 123.542 122.820 0.118 0.000 1.902 552 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 552 A C 2.066 179.729 177.584 0.132 0.000 1.181 552 A CA 1.917 54.073 52.037 0.199 0.000 0.623 552 A CB -0.593 18.465 19.000 0.096 0.000 0.818 552 A HN 0.333 nan 8.150 nan 0.000 0.443 553 K N 0.386 120.822 120.400 0.060 0.000 2.044 553 K HA -0.146 4.174 4.320 -0.000 0.000 0.210 553 K C 1.992 178.603 176.600 0.019 0.000 1.049 553 K CA 1.866 58.163 56.287 0.018 0.000 0.927 553 K CB -0.357 32.145 32.500 0.004 0.000 0.713 553 K HN 0.486 nan 8.250 nan 0.000 0.443 554 R N -0.491 120.030 120.500 0.036 0.000 2.293 554 R HA -0.073 4.267 4.340 -0.000 0.000 0.219 554 R C 1.157 177.472 176.300 0.026 0.000 1.091 554 R CA 0.987 57.103 56.100 0.028 0.000 1.004 554 R CB -0.204 30.116 30.300 0.034 0.000 0.865 554 R HN 0.214 nan 8.270 nan 0.000 0.469 555 I N -0.522 120.071 120.570 0.038 0.000 3.927 555 I HA 0.233 4.402 4.170 -0.000 0.000 0.332 555 I C 0.550 176.649 176.117 -0.030 0.000 1.485 555 I CA 0.028 61.333 61.300 0.007 0.000 1.131 555 I CB 0.535 38.523 38.000 -0.021 0.000 1.092 555 I HN 0.275 nan 8.210 nan 0.000 0.410 556 G N 0.700 109.479 108.800 -0.035 0.000 2.132 556 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.228 556 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.228 556 G C 0.224 175.081 174.900 -0.073 0.000 1.000 556 G CA 0.127 45.173 45.100 -0.090 0.000 0.693 556 G HN 0.228 nan 8.290 nan 0.000 0.515 557 V N 0.740 120.648 119.914 -0.011 0.000 2.529 557 V HA 0.229 4.349 4.120 -0.000 0.000 0.292 557 V C 1.391 177.381 176.094 -0.173 0.000 1.028 557 V CA 1.478 63.756 62.300 -0.038 0.000 1.074 557 V CB 1.634 33.465 31.823 0.015 0.000 0.958 557 V HN 0.557 nan 8.190 nan 0.000 0.481 558 Q N 3.529 123.111 119.800 -0.362 0.000 2.316 558 Q HA 0.266 4.605 4.340 -0.000 0.000 0.235 558 Q C -0.737 174.658 176.000 -1.009 0.000 0.863 558 Q CA 0.264 55.612 55.803 -0.758 0.000 0.939 558 Q CB 0.631 28.719 28.738 -1.083 0.000 1.108 558 Q HN 0.703 nan 8.270 nan 0.000 0.522 559 F N 0.692 120.597 119.950 -0.075 0.000 2.536 559 F HA 0.524 5.051 4.527 -0.000 0.000 0.322 559 F C -0.539 175.199 175.800 -0.102 0.000 1.144 559 F CA -0.818 57.121 58.000 -0.102 0.000 0.924 559 F CB 1.348 40.263 39.000 -0.142 0.000 1.181 559 F HN -0.184 nan 8.300 nan 0.000 0.438 560 I N 3.473 124.069 120.570 0.044 0.000 2.509 560 I HA 0.554 4.724 4.170 -0.000 0.000 0.293 560 I C -1.178 174.924 176.117 -0.025 0.000 1.020 560 I CA -1.209 60.082 61.300 -0.015 0.000 1.088 560 I CB 2.300 40.278 38.000 -0.036 0.000 1.267 560 I HN 0.365 nan 8.210 nan 0.000 0.430 561 V N 5.913 125.814 119.914 -0.022 0.000 2.448 561 V HA 0.925 5.045 4.120 -0.000 0.000 0.295 561 V C -0.581 175.478 176.094 -0.058 0.000 1.025 561 V CA -0.005 62.314 62.300 0.032 0.000 0.859 561 V CB 1.396 33.345 31.823 0.209 0.000 0.988 561 V HN 0.904 nan 8.190 nan 0.000 0.431 562 A N 7.486 130.268 122.820 -0.064 0.000 2.604 562 A HA 0.930 5.249 4.320 -0.000 0.000 0.295 562 A C -3.252 174.312 177.584 -0.033 0.000 1.067 562 A CA -1.407 50.547 52.037 -0.139 0.000 0.683 562 A CB 2.193 20.911 19.000 -0.469 0.000 1.281 562 A HN 0.609 nan 8.150 nan 0.000 0.407 563 P HA 0.309 nan 4.420 nan 0.000 0.272 563 P C 0.125 177.283 177.300 -0.237 0.000 1.230 563 P CA 0.085 63.128 63.100 -0.095 0.000 0.788 563 P CB 0.678 32.332 31.700 -0.076 0.000 0.949 564 S N 0.177 115.641 115.700 -0.395 0.000 2.596 564 S HA 0.457 4.927 4.470 -0.000 0.000 0.260 564 S C 1.380 175.734 174.600 -0.409 0.000 1.336 564 S CA 0.861 58.673 58.200 -0.645 0.000 0.993 564 S CB -0.010 62.932 63.200 -0.431 0.000 0.923 564 S HN 0.844 nan 8.310 nan 0.000 0.567 565 G N 0.045 108.513 108.800 -0.554 0.000 2.977 565 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.211 565 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.211 565 G C 0.021 174.221 174.900 -1.166 0.000 0.994 565 G CA -0.006 44.653 45.100 -0.734 0.000 0.795 565 G HN 0.947 nan 8.290 nan 0.000 0.518 566 S N 0.835 115.831 115.700 -1.173 0.000 2.564 566 S HA 0.609 5.079 4.470 -0.000 0.000 0.278 566 S C 1.569 175.901 174.600 -0.447 0.000 1.333 566 S CA 0.657 58.322 58.200 -0.892 0.000 1.048 566 S CB 1.872 64.823 63.200 -0.415 0.000 0.900 566 S HN 1.540 nan 8.310 nan 0.000 0.505 567 A N 1.758 124.380 122.820 -0.329 0.000 2.272 567 A HA 0.280 4.599 4.320 -0.000 0.000 0.213 567 A C 1.541 179.047 177.584 -0.130 0.000 1.183 567 A CA 1.077 53.004 52.037 -0.183 0.000 0.719 567 A CB -0.861 18.069 19.000 -0.117 0.000 0.771 567 A HN 1.451 nan 8.150 nan 0.000 0.484 568 A N -1.159 121.566 122.820 -0.159 0.000 2.610 568 A HA 0.344 4.663 4.320 -0.000 0.000 0.290 568 A C 0.761 178.325 177.584 -0.034 0.000 1.001 568 A CA 0.157 52.152 52.037 -0.070 0.000 1.004 568 A CB 0.104 19.076 19.000 -0.046 0.000 1.220 568 A HN 0.225 nan 8.150 nan 0.000 0.507 569 D N 0.760 121.124 120.400 -0.061 0.000 2.149 569 D HA -0.190 4.449 4.640 -0.000 0.000 0.194 569 D C 1.419 177.768 176.300 0.081 0.000 1.001 569 D CA 1.440 55.456 54.000 0.027 0.000 0.849 569 D CB 0.275 41.065 40.800 -0.018 0.000 0.939 569 D HN 0.460 nan 8.370 nan 0.000 0.449 570 E N 0.366 120.589 120.200 0.040 0.000 2.072 570 E HA -0.086 4.263 4.350 -0.000 0.000 0.191 570 E C 2.515 179.145 176.600 0.049 0.000 0.985 570 E CA 0.216 56.640 56.400 0.039 0.000 0.801 570 E CB -0.381 29.332 29.700 0.022 0.000 0.750 570 E HN 0.177 nan 8.360 nan 0.000 0.452 571 V N 0.989 120.939 119.914 0.060 0.000 2.392 571 V HA -0.202 3.918 4.120 -0.000 0.000 0.249 571 V C 2.495 178.647 176.094 0.096 0.000 1.059 571 V CA 1.242 63.590 62.300 0.080 0.000 1.051 571 V CB -0.487 31.402 31.823 0.111 0.000 0.658 571 V HN 0.057 nan 8.190 nan 0.000 0.455 572 V N -0.413 119.570 119.914 0.114 0.000 2.407 572 V HA -0.153 3.967 4.120 -0.000 0.000 0.245 572 V C 2.144 178.293 176.094 0.092 0.000 1.041 572 V CA 1.810 64.198 62.300 0.146 0.000 1.040 572 V CB -0.314 31.640 31.823 0.219 0.000 0.671 572 V HN 0.422 nan 8.190 nan 0.000 0.455 573 I N 0.276 120.879 120.570 0.054 0.000 2.286 573 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 573 I C 2.576 178.694 176.117 0.000 0.000 1.115 573 I CA 1.676 62.968 61.300 -0.013 0.000 1.392 573 I CB -0.240 37.744 38.000 -0.027 0.000 1.065 573 I HN 0.349 nan 8.210 nan 0.000 0.418 574 E N 1.439 121.652 120.200 0.022 0.000 2.106 574 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 574 E C 2.097 178.710 176.600 0.021 0.000 0.984 574 E CA 1.533 57.944 56.400 0.019 0.000 0.806 574 E CB -0.140 29.576 29.700 0.026 0.000 0.750 574 E HN 0.405 nan 8.360 nan 0.000 0.458 575 A N 0.058 122.902 122.820 0.039 0.000 1.877 575 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 575 A C 2.592 180.190 177.584 0.023 0.000 1.186 575 A CA 1.562 53.623 52.037 0.040 0.000 0.620 575 A CB -1.131 17.909 19.000 0.067 0.000 0.822 575 A HN 0.509 nan 8.150 nan 0.000 0.443 576 C N -0.368 118.944 119.300 0.021 0.000 2.413 576 C HA -0.113 4.346 4.460 -0.000 0.000 0.276 576 C C 2.706 177.682 174.990 -0.025 0.000 1.248 576 C CA 1.149 60.164 59.018 -0.006 0.000 1.742 576 C CB -1.558 26.169 27.740 -0.022 0.000 2.017 576 C HN 0.640 nan 8.230 nan 0.000 0.481 577 N N 0.946 119.634 118.700 -0.020 0.000 2.043 577 N HA -0.135 4.605 4.740 -0.000 0.000 0.193 577 N C 1.638 177.136 175.510 -0.020 0.000 1.037 577 N CA 1.430 54.467 53.050 -0.022 0.000 0.851 577 N CB -0.572 37.906 38.487 -0.015 0.000 1.027 577 N HN 0.634 nan 8.380 nan 0.000 0.422 578 E N 0.270 120.463 120.200 -0.011 0.000 2.118 578 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 578 E C 1.459 178.048 176.600 -0.018 0.000 0.992 578 E CA 0.713 57.107 56.400 -0.010 0.000 0.804 578 E CB -0.099 29.601 29.700 -0.001 0.000 0.741 578 E HN 0.361 nan 8.360 nan 0.000 0.458 579 L N -0.495 120.715 121.223 -0.022 0.000 2.592 579 L HA 0.205 4.545 4.340 -0.000 0.000 0.227 579 L C 1.139 177.974 176.870 -0.058 0.000 1.127 579 L CA 0.166 54.986 54.840 -0.033 0.000 0.884 579 L CB 0.268 42.312 42.059 -0.025 0.000 1.065 579 L HN 0.217 nan 8.230 nan 0.000 0.457 580 G N 1.310 110.074 108.800 -0.061 0.000 2.198 580 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.257 580 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.257 580 G C 0.012 174.832 174.900 -0.132 0.000 1.042 580 G CA -0.107 44.943 45.100 -0.084 0.000 0.791 580 G HN 0.295 nan 8.290 nan 0.000 0.502 581 I N 1.028 121.526 120.570 -0.120 0.000 2.385 581 I HA 0.319 4.488 4.170 -0.000 0.000 0.294 581 I C 0.685 176.730 176.117 -0.121 0.000 0.988 581 I CA -0.583 60.619 61.300 -0.164 0.000 1.265 581 I CB 1.632 39.564 38.000 -0.113 0.000 1.388 581 I HN 0.030 nan 8.210 nan 0.000 0.480 582 T N 7.210 121.686 114.554 -0.131 0.000 2.737 582 T HA 0.271 4.621 4.350 -0.000 0.000 0.296 582 T C -0.256 174.439 174.700 -0.008 0.000 0.922 582 T CA -0.188 61.907 62.100 -0.009 0.000 1.079 582 T CB 0.293 69.257 68.868 0.159 0.000 0.892 582 T HN 0.248 nan 8.240 nan 0.000 0.514 583 L N 5.429 126.620 121.223 -0.053 0.000 2.313 583 L HA 0.598 4.937 4.340 -0.000 0.000 0.283 583 L C -0.966 175.837 176.870 -0.112 0.000 1.013 583 L CA -0.838 53.939 54.840 -0.104 0.000 0.816 583 L CB 1.129 43.079 42.059 -0.182 0.000 1.236 583 L HN 0.619 nan 8.230 nan 0.000 0.419 584 I N 4.524 125.059 120.570 -0.058 0.000 2.339 584 I HA 0.291 4.461 4.170 -0.000 0.000 0.290 584 I C -0.164 175.968 176.117 0.025 0.000 0.994 584 I CA -0.318 60.988 61.300 0.010 0.000 1.191 584 I CB 1.302 39.388 38.000 0.143 0.000 1.343 584 I HN 0.531 nan 8.210 nan 0.000 0.458 585 H N 3.887 122.947 119.070 -0.017 0.000 2.489 585 H HA 0.427 4.982 4.556 -0.000 0.000 0.322 585 H C 0.129 175.432 175.328 -0.042 0.000 1.091 585 H CA -0.578 55.444 56.048 -0.044 0.000 1.291 585 H CB 1.316 31.048 29.762 -0.050 0.000 1.436 585 H HN 0.631 nan 8.280 nan 0.000 0.480 586 T N -0.441 114.150 114.554 0.062 0.000 2.919 586 T HA 0.142 4.492 4.350 -0.000 0.000 0.282 586 T C 0.559 175.222 174.700 -0.061 0.000 1.020 586 T CA -1.023 61.066 62.100 -0.018 0.000 0.994 586 T CB 1.491 70.330 68.868 -0.049 0.000 1.180 586 T HN 0.696 nan 8.240 nan 0.000 0.566 587 N N -0.282 118.374 118.700 -0.073 0.000 2.282 587 N HA 0.226 4.965 4.740 -0.000 0.000 0.240 587 N C -0.631 174.824 175.510 -0.091 0.000 1.182 587 N CA -0.180 52.820 53.050 -0.083 0.000 0.874 587 N CB 0.250 38.694 38.487 -0.072 0.000 1.126 587 N HN 0.475 nan 8.380 nan 0.000 0.516 588 L N 2.038 123.203 121.223 -0.097 0.000 2.324 588 L HA 0.416 4.756 4.340 -0.000 0.000 0.274 588 L C -0.434 176.361 176.870 -0.124 0.000 1.012 588 L CA -0.478 54.298 54.840 -0.107 0.000 0.859 588 L CB 1.051 43.045 42.059 -0.108 0.000 1.224 588 L HN 0.112 nan 8.230 nan 0.000 0.429 589 R N 4.115 124.520 120.500 -0.159 0.000 2.459 589 R HA 0.479 4.818 4.340 -0.000 0.000 0.281 589 R C -0.460 175.724 176.300 -0.193 0.000 1.050 589 R CA -0.399 55.560 56.100 -0.236 0.000 1.055 589 R CB 0.969 31.035 30.300 -0.391 0.000 1.045 589 R HN 0.712 nan 8.270 nan 0.000 0.495 590 L N 4.815 125.942 121.223 -0.161 0.000 3.193 590 L HA 0.311 4.651 4.340 -0.000 0.000 0.305 590 L C -0.767 176.152 176.870 0.082 0.000 1.299 590 L CA -0.566 54.235 54.840 -0.065 0.000 0.904 590 L CB 0.215 42.231 42.059 -0.071 0.000 1.331 590 L HN 0.491 nan 8.230 nan 0.000 0.588 591 F N 0.335 120.257 119.950 -0.047 0.000 2.545 591 F HA 0.187 4.714 4.527 -0.000 0.000 0.348 591 F C 0.689 176.468 175.800 -0.037 0.000 1.163 591 F CA -0.047 57.918 58.000 -0.059 0.000 1.331 591 F CB 0.107 39.102 39.000 -0.008 0.000 1.138 591 F HN 0.152 nan 8.300 nan 0.000 0.602 592 H N 2.306 121.301 119.070 -0.126 0.000 3.083 592 H HA 0.404 4.959 4.556 -0.000 0.000 0.339 592 H C -1.212 173.886 175.328 -0.384 0.000 1.020 592 H CA -0.368 55.589 56.048 -0.151 0.000 1.360 592 H CB 0.589 30.288 29.762 -0.105 0.000 1.811 592 H HN 0.555 nan 8.280 nan 0.000 0.493 593 H N 0.000 118.937 119.070 -0.222 0.000 2.539 593 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 593 H CA 0.000 55.923 56.048 -0.209 0.000 1.023 593 H CB 0.000 29.708 29.762 -0.090 0.000 1.292 593 H HN 0.000 nan 8.280 nan 0.000 0.496