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 1thz_1_A 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 0.000 176.302 176.300 0.004 0.000 0.893 4 R CA 0.000 56.104 56.100 0.007 0.000 0.921 4 R CB 0.000 30.309 30.300 0.015 0.000 0.687 5 Q N 1.834 121.635 119.800 0.001 0.000 2.337 5 Q HA 0.094 4.543 4.340 0.183 0.000 0.270 5 Q C -0.679 175.317 176.000 -0.006 0.000 1.002 5 Q CA 0.483 56.282 55.803 -0.006 0.000 0.888 5 Q CB 0.787 29.518 28.738 -0.010 0.000 1.222 5 Q HN 0.330 nan 8.270 nan 0.000 0.400 6 Q N 2.545 122.337 119.800 -0.014 0.000 2.193 6 Q HA 0.546 4.996 4.340 0.183 0.000 0.246 6 Q C -0.697 175.283 176.000 -0.033 0.000 0.959 6 Q CA -0.594 55.199 55.803 -0.018 0.000 0.904 6 Q CB 1.323 30.050 28.738 -0.017 0.000 1.238 6 Q HN 0.594 nan 8.270 nan 0.000 0.469 7 L N -0.017 121.183 121.223 -0.039 0.000 2.286 7 L HA 0.867 5.317 4.340 0.183 0.000 0.265 7 L C -0.744 176.084 176.870 -0.070 0.000 1.012 7 L CA -1.156 53.651 54.840 -0.056 0.000 0.818 7 L CB 1.644 43.669 42.059 -0.056 0.000 1.337 7 L HN 0.584 nan 8.230 nan 0.000 0.438 8 A N 1.633 124.401 122.820 -0.088 0.000 2.335 8 A HA 0.691 5.121 4.320 0.183 0.000 0.304 8 A C -1.380 176.147 177.584 -0.094 0.000 1.118 8 A CA -0.382 51.592 52.037 -0.104 0.000 0.757 8 A CB 1.391 20.295 19.000 -0.159 0.000 1.188 8 A HN 0.490 nan 8.150 nan 0.000 0.460 9 L N 3.340 124.514 121.223 -0.081 0.000 2.282 9 L HA 0.779 5.228 4.340 0.183 0.000 0.288 9 L C -1.366 175.470 176.870 -0.057 0.000 1.033 9 L CA -0.348 54.446 54.840 -0.075 0.000 0.807 9 L CB 0.890 42.896 42.059 -0.088 0.000 1.209 9 L HN 0.542 nan 8.230 nan 0.000 0.423 10 L N 4.503 125.697 121.223 -0.049 0.000 2.385 10 L HA 0.714 5.164 4.340 0.183 0.000 0.273 10 L C -0.181 176.683 176.870 -0.011 0.000 0.990 10 L CA -0.180 54.646 54.840 -0.023 0.000 0.821 10 L CB 1.948 43.988 42.059 -0.032 0.000 1.279 10 L HN 0.612 nan 8.230 nan 0.000 0.412 11 S N 2.459 118.163 115.700 0.007 0.000 2.446 11 S HA 0.656 5.236 4.470 0.183 0.000 0.230 11 S C -1.151 173.469 174.600 0.032 0.000 1.051 11 S CA -0.538 57.669 58.200 0.012 0.000 1.113 11 S CB 0.674 63.872 63.200 -0.003 0.000 1.184 11 S HN 0.529 nan 8.310 nan 0.000 0.435 12 V N 2.336 122.280 119.914 0.049 0.000 2.735 12 V HA 0.771 5.001 4.120 0.183 0.000 0.310 12 V C 0.986 177.126 176.094 0.075 0.000 1.061 12 V CA -0.295 62.049 62.300 0.072 0.000 0.913 12 V CB 1.400 33.288 31.823 0.108 0.000 1.005 12 V HN 0.598 nan 8.190 nan 0.000 0.428 13 S N 1.865 117.622 115.700 0.094 0.000 2.348 13 S HA -0.017 4.563 4.470 0.183 0.000 0.219 13 S C 0.965 175.638 174.600 0.122 0.000 1.033 13 S CA 1.262 59.533 58.200 0.119 0.000 0.974 13 S CB -0.222 63.096 63.200 0.197 0.000 0.868 13 S HN 1.035 nan 8.310 nan 0.000 0.459 14 E N 1.406 121.677 120.200 0.117 0.000 2.180 14 E HA 0.190 4.650 4.350 0.183 0.000 0.283 14 E C 0.272 176.927 176.600 0.091 0.000 1.061 14 E CA -0.086 56.370 56.400 0.094 0.000 0.861 14 E CB 0.764 30.499 29.700 0.058 0.000 1.056 14 E HN 0.082 nan 8.360 nan 0.000 0.407 15 K N 3.016 123.468 120.400 0.086 0.000 2.404 15 K HA 0.229 4.658 4.320 0.183 0.000 0.194 15 K C 0.119 176.788 176.600 0.115 0.000 1.023 15 K CA 0.210 56.556 56.287 0.099 0.000 1.094 15 K CB 0.090 32.632 32.500 0.071 0.000 0.841 15 K HN 0.505 nan 8.250 nan 0.000 0.523 16 A N 0.793 123.667 122.820 0.091 0.000 2.546 16 A HA 0.373 4.803 4.320 0.183 0.000 0.243 16 A C 1.364 179.051 177.584 0.173 0.000 1.063 16 A CA 1.017 53.104 52.037 0.084 0.000 0.757 16 A CB -0.425 18.590 19.000 0.026 0.000 0.991 16 A HN 0.537 nan 8.150 nan 0.000 0.503 17 G N 1.264 110.174 108.800 0.183 0.000 2.212 17 G HA2 -0.292 3.777 3.960 0.183 0.000 0.266 17 G HA3 -0.292 3.777 3.960 0.183 0.000 0.266 17 G C 0.926 175.997 174.900 0.285 0.000 0.978 17 G CA 0.977 46.257 45.100 0.301 0.000 0.632 17 G HN 1.633 nan 8.290 nan 0.000 0.537 18 L N 1.157 122.523 121.223 0.239 0.000 1.971 18 L HA -0.041 4.408 4.340 0.183 0.000 0.215 18 L C 2.903 179.790 176.870 0.028 0.000 1.072 18 L CA 3.066 57.966 54.840 0.100 0.000 0.758 18 L CB -0.903 41.218 42.059 0.104 0.000 0.889 18 L HN 0.313 nan 8.230 nan 0.000 0.433 19 V N 0.018 119.957 119.914 0.041 0.000 2.282 19 V HA -0.338 3.891 4.120 0.183 0.000 0.249 19 V C 2.566 178.667 176.094 0.011 0.000 1.057 19 V CA 2.294 64.603 62.300 0.015 0.000 1.032 19 V CB -0.810 31.026 31.823 0.022 0.000 0.645 19 V HN 0.554 nan 8.190 nan 0.000 0.447 20 E N -0.805 119.423 120.200 0.046 0.000 2.077 20 E HA -0.234 4.225 4.350 0.183 0.000 0.193 20 E C 2.077 178.721 176.600 0.072 0.000 0.989 20 E CA 1.532 57.967 56.400 0.059 0.000 0.800 20 E CB -0.230 29.525 29.700 0.092 0.000 0.746 20 E HN 0.578 nan 8.360 nan 0.000 0.452 21 F N 1.314 121.160 119.950 -0.175 0.000 2.163 21 F HA -0.018 4.619 4.527 0.183 0.000 0.297 21 F C 2.191 177.859 175.800 -0.220 0.000 1.094 21 F CA 1.045 58.871 58.000 -0.290 0.000 1.290 21 F CB -0.536 37.997 39.000 -0.778 0.000 1.017 21 F HN -0.075 nan 8.300 nan 0.000 0.483 22 A N 0.564 123.256 122.820 -0.214 0.000 1.933 22 A HA -0.164 4.266 4.320 0.183 0.000 0.218 22 A C 2.425 179.893 177.584 -0.193 0.000 1.175 22 A CA 1.395 53.282 52.037 -0.250 0.000 0.628 22 A CB -0.637 18.278 19.000 -0.142 0.000 0.814 22 A HN 0.371 nan 8.150 nan 0.000 0.444 23 R N -0.192 120.238 120.500 -0.116 0.000 2.073 23 R HA -0.099 4.351 4.340 0.183 0.000 0.234 23 R C 2.516 178.756 176.300 -0.100 0.000 1.134 23 R CA 1.680 57.731 56.100 -0.082 0.000 0.952 23 R CB -0.486 29.791 30.300 -0.039 0.000 0.850 23 R HN 0.537 nan 8.270 nan 0.000 0.433 24 S N 1.350 116.984 115.700 -0.110 0.000 2.368 24 S HA -0.092 4.488 4.470 0.183 0.000 0.225 24 S C 2.048 176.545 174.600 -0.171 0.000 1.030 24 S CA 1.063 59.201 58.200 -0.103 0.000 0.999 24 S CB -0.211 62.962 63.200 -0.044 0.000 0.844 24 S HN 0.211 nan 8.310 nan 0.000 0.459 25 L N 1.535 122.574 121.223 -0.306 0.000 2.083 25 L HA -0.122 4.327 4.340 0.183 0.000 0.209 25 L C 2.397 179.155 176.870 -0.186 0.000 1.083 25 L CA 1.198 55.854 54.840 -0.307 0.000 0.752 25 L CB -0.627 41.156 42.059 -0.460 0.000 0.899 25 L HN 0.304 nan 8.230 nan 0.000 0.433 26 N N 0.386 118.990 118.700 -0.160 0.000 2.188 26 N HA -0.144 4.706 4.740 0.183 0.000 0.184 26 N C 1.764 177.226 175.510 -0.080 0.000 1.018 26 N CA 1.295 54.281 53.050 -0.107 0.000 0.858 26 N CB -0.010 38.423 38.487 -0.091 0.000 0.989 26 N HN 0.263 nan 8.380 nan 0.000 0.426 27 A N 0.107 122.881 122.820 -0.078 0.000 2.067 27 A HA 0.016 4.446 4.320 0.183 0.000 0.219 27 A C 2.032 179.586 177.584 -0.050 0.000 1.158 27 A CA 0.714 52.719 52.037 -0.054 0.000 0.661 27 A CB -0.559 18.414 19.000 -0.044 0.000 0.801 27 A HN 0.381 nan 8.150 nan 0.000 0.452 28 L N -1.662 119.523 121.223 -0.064 0.000 2.478 28 L HA 0.137 4.586 4.340 0.183 0.000 0.223 28 L C 1.747 178.588 176.870 -0.048 0.000 1.140 28 L CA 0.675 55.483 54.840 -0.054 0.000 0.842 28 L CB -0.164 41.856 42.059 -0.065 0.000 0.953 28 L HN 0.583 nan 8.230 nan 0.000 0.452 29 G N -0.003 108.765 108.800 -0.054 0.000 2.163 29 G HA2 -0.223 3.847 3.960 0.183 0.000 0.213 29 G HA3 -0.223 3.847 3.960 0.183 0.000 0.213 29 G C 0.138 175.008 174.900 -0.050 0.000 0.991 29 G CA -0.475 44.598 45.100 -0.045 0.000 0.653 29 G HN 0.157 nan 8.290 nan 0.000 0.518 30 L N 1.304 122.487 121.223 -0.068 0.000 2.371 30 L HA 0.583 5.032 4.340 0.183 0.000 0.272 30 L C 1.391 178.217 176.870 -0.073 0.000 1.124 30 L CA -0.112 54.685 54.840 -0.072 0.000 0.816 30 L CB 1.004 43.004 42.059 -0.098 0.000 1.129 30 L HN 0.190 nan 8.230 nan 0.000 0.448 31 G N 3.412 112.175 108.800 -0.061 0.000 2.415 31 G HA2 0.495 4.565 3.960 0.183 0.000 0.269 31 G HA3 0.495 4.565 3.960 0.183 0.000 0.269 31 G C -0.480 174.377 174.900 -0.071 0.000 1.209 31 G CA -0.638 44.428 45.100 -0.057 0.000 0.835 31 G HN 0.419 nan 8.290 nan 0.000 0.534 32 L N 2.753 123.933 121.223 -0.071 0.000 2.275 32 L HA 0.409 4.859 4.340 0.183 0.000 0.288 32 L C -0.374 176.458 176.870 -0.064 0.000 1.046 32 L CA -0.831 53.962 54.840 -0.079 0.000 0.805 32 L CB 1.340 43.349 42.059 -0.083 0.000 1.193 32 L HN 0.188 nan 8.230 nan 0.000 0.426 33 I N 2.792 123.322 120.570 -0.068 0.000 2.433 33 I HA 0.797 5.076 4.170 0.183 0.000 0.292 33 I C 0.178 176.261 176.117 -0.056 0.000 1.001 33 I CA -0.257 61.007 61.300 -0.061 0.000 1.119 33 I CB 1.478 39.436 38.000 -0.070 0.000 1.289 33 I HN 0.766 nan 8.210 nan 0.000 0.438 34 A N 4.611 127.403 122.820 -0.046 0.000 2.493 34 A HA 0.931 5.360 4.320 0.183 0.000 0.300 34 A C -0.818 176.750 177.584 -0.028 0.000 1.152 34 A CA -0.189 51.826 52.037 -0.036 0.000 0.643 34 A CB 1.821 20.802 19.000 -0.031 0.000 1.316 34 A HN 0.819 nan 8.150 nan 0.000 0.469 35 S N -1.988 113.701 115.700 -0.019 0.000 2.636 35 S HA 0.780 5.360 4.470 0.183 0.000 0.268 35 S C 0.718 175.315 174.600 -0.006 0.000 1.159 35 S CA 0.431 58.623 58.200 -0.013 0.000 0.815 35 S CB 0.482 63.675 63.200 -0.013 0.000 1.130 35 S HN 2.861 nan 8.310 nan 0.000 0.471 36 G N 1.120 109.919 108.800 -0.003 0.000 2.627 36 G HA2 -0.141 3.929 3.960 0.183 0.000 0.312 36 G HA3 -0.141 3.929 3.960 0.183 0.000 0.312 36 G C 1.082 175.982 174.900 -0.000 0.000 1.299 36 G CA 0.850 45.950 45.100 -0.000 0.000 0.989 36 G HN 2.044 nan 8.290 nan 0.000 0.547 37 G N -1.620 107.181 108.800 0.002 0.000 2.432 37 G HA2 0.048 4.117 3.960 0.183 0.000 0.219 37 G HA3 0.048 4.117 3.960 0.183 0.000 0.219 37 G C 1.838 176.742 174.900 0.007 0.000 1.135 37 G CA 2.335 47.438 45.100 0.003 0.000 0.767 37 G HN 0.976 nan 8.290 nan 0.000 0.550 38 T N 1.540 116.099 114.554 0.008 0.000 2.737 38 T HA 0.051 4.511 4.350 0.183 0.000 0.265 38 T C 2.857 177.557 174.700 0.000 0.000 1.038 38 T CA 1.418 63.524 62.100 0.010 0.000 1.144 38 T CB -0.370 68.504 68.868 0.011 0.000 0.866 38 T HN 0.360 nan 8.240 nan 0.000 0.434 39 A N 1.377 124.193 122.820 -0.006 0.000 1.908 39 A HA -0.151 4.279 4.320 0.183 0.000 0.218 39 A C 2.548 180.127 177.584 -0.008 0.000 1.181 39 A CA 2.179 54.209 52.037 -0.011 0.000 0.627 39 A CB -1.327 17.666 19.000 -0.013 0.000 0.818 39 A HN 0.475 nan 8.150 nan 0.000 0.445 40 T N 0.264 114.816 114.554 -0.004 0.000 2.746 40 T HA -0.033 4.427 4.350 0.183 0.000 0.267 40 T C 2.184 176.884 174.700 -0.001 0.000 1.039 40 T CA 1.581 63.680 62.100 -0.002 0.000 1.142 40 T CB -0.428 68.440 68.868 -0.001 0.000 0.866 40 T HN 0.612 nan 8.240 nan 0.000 0.444 41 A N 1.063 123.885 122.820 0.003 0.000 1.933 41 A HA 0.051 4.481 4.320 0.183 0.000 0.218 41 A C 2.275 179.859 177.584 0.001 0.000 1.175 41 A CA 1.088 53.129 52.037 0.007 0.000 0.628 41 A CB -0.677 18.332 19.000 0.015 0.000 0.814 41 A HN 0.484 nan 8.150 nan 0.000 0.444 42 L N -1.558 119.662 121.223 -0.005 0.000 2.095 42 L HA -0.066 4.383 4.340 0.183 0.000 0.204 42 L C 2.747 179.609 176.870 -0.014 0.000 1.080 42 L CA 1.410 56.242 54.840 -0.014 0.000 0.759 42 L CB -0.503 41.542 42.059 -0.024 0.000 0.914 42 L HN 0.397 nan 8.230 nan 0.000 0.439 43 R N 0.578 121.070 120.500 -0.012 0.000 2.081 43 R HA -0.186 4.263 4.340 0.183 0.000 0.235 43 R C 1.758 178.053 176.300 -0.008 0.000 1.131 43 R CA 1.987 58.080 56.100 -0.011 0.000 0.960 43 R CB -0.093 30.201 30.300 -0.010 0.000 0.856 43 R HN 0.281 nan 8.270 nan 0.000 0.436 44 D N -0.116 120.281 120.400 -0.005 0.000 2.218 44 D HA -0.096 4.654 4.640 0.183 0.000 0.204 44 D C 1.204 177.503 176.300 -0.003 0.000 0.976 44 D CA 1.299 55.297 54.000 -0.003 0.000 0.853 44 D CB -0.006 40.794 40.800 0.000 0.000 0.939 44 D HN 0.369 nan 8.370 nan 0.000 0.481 45 A N -0.463 122.354 122.820 -0.004 0.000 2.238 45 A HA 0.453 4.882 4.320 0.183 0.000 0.208 45 A C 1.766 179.346 177.584 -0.008 0.000 1.177 45 A CA 0.814 52.848 52.037 -0.004 0.000 0.804 45 A CB -0.374 18.624 19.000 -0.004 0.000 0.823 45 A HN 0.221 nan 8.150 nan 0.000 0.482 46 G N -1.203 107.591 108.800 -0.010 0.000 2.148 46 G HA2 -0.218 3.852 3.960 0.183 0.000 0.254 46 G HA3 -0.218 3.852 3.960 0.183 0.000 0.254 46 G C 0.060 174.950 174.900 -0.016 0.000 0.981 46 G CA 0.383 45.476 45.100 -0.011 0.000 0.670 46 G HN 0.441 nan 8.290 nan 0.000 0.528 47 L N 0.795 122.006 121.223 -0.020 0.000 2.375 47 L HA 0.474 4.923 4.340 0.183 0.000 0.271 47 L C -1.769 175.084 176.870 -0.028 0.000 1.107 47 L CA -2.195 52.628 54.840 -0.028 0.000 0.806 47 L CB 1.063 43.100 42.059 -0.036 0.000 1.146 47 L HN -0.105 nan 8.230 nan 0.000 0.447 48 P HA 0.140 nan 4.420 nan 0.000 0.276 48 P C -0.960 176.319 177.300 -0.035 0.000 1.264 48 P CA -0.024 63.058 63.100 -0.030 0.000 0.769 48 P CB 1.112 32.793 31.700 -0.031 0.000 0.840 49 V N 4.652 124.547 119.914 -0.031 0.000 2.656 49 V HA 0.545 4.774 4.120 0.183 0.000 0.307 49 V C -0.688 175.388 176.094 -0.030 0.000 1.051 49 V CA -1.082 61.198 62.300 -0.034 0.000 0.893 49 V CB 2.046 33.851 31.823 -0.031 0.000 0.999 49 V HN 0.398 nan 8.190 nan 0.000 0.426 50 R N 3.967 124.447 120.500 -0.034 0.000 2.343 50 R HA 0.411 4.861 4.340 0.183 0.000 0.320 50 R C -0.674 175.606 176.300 -0.033 0.000 0.956 50 R CA -0.539 55.543 56.100 -0.030 0.000 0.836 50 R CB 1.259 31.540 30.300 -0.032 0.000 1.151 50 R HN 0.953 nan 8.270 nan 0.000 0.450 51 D N 2.072 122.456 120.400 -0.028 0.000 2.399 51 D HA -0.031 4.718 4.640 0.183 0.000 0.241 51 D C 1.278 177.556 176.300 -0.037 0.000 1.133 51 D CA -0.127 53.857 54.000 -0.028 0.000 0.890 51 D CB 1.350 42.138 40.800 -0.020 0.000 1.201 51 D HN 0.254 nan 8.370 nan 0.000 0.432 52 V N 2.423 122.313 119.914 -0.041 0.000 2.392 52 V HA -0.268 3.962 4.120 0.183 0.000 0.249 52 V C 2.313 178.370 176.094 -0.062 0.000 1.059 52 V CA 2.170 64.436 62.300 -0.057 0.000 1.051 52 V CB -0.908 30.883 31.823 -0.053 0.000 0.658 52 V HN 0.761 nan 8.190 nan 0.000 0.455 53 S N -0.086 115.591 115.700 -0.038 0.000 2.423 53 S HA -0.237 4.343 4.470 0.183 0.000 0.231 53 S C 1.668 176.249 174.600 -0.032 0.000 1.014 53 S CA 1.632 59.815 58.200 -0.028 0.000 0.965 53 S CB -0.452 62.748 63.200 -0.000 0.000 0.785 53 S HN 0.672 nan 8.310 nan 0.000 0.495 54 D N 0.777 121.159 120.400 -0.031 0.000 2.194 54 D HA 0.012 4.761 4.640 0.183 0.000 0.204 54 D C 1.804 178.087 176.300 -0.028 0.000 0.964 54 D CA 0.655 54.641 54.000 -0.024 0.000 0.846 54 D CB -0.233 40.556 40.800 -0.019 0.000 0.962 54 D HN 0.356 nan 8.370 nan 0.000 0.490 55 L N -0.243 120.951 121.223 -0.049 0.000 2.109 55 L HA 0.004 4.453 4.340 0.183 0.000 0.207 55 L C 2.200 179.020 176.870 -0.083 0.000 1.086 55 L CA 1.769 56.574 54.840 -0.059 0.000 0.760 55 L CB -0.929 41.079 42.059 -0.086 0.000 0.910 55 L HN 0.047 nan 8.230 nan 0.000 0.437 56 T N -1.538 112.929 114.554 -0.144 0.000 3.009 56 T HA 0.155 4.615 4.350 0.183 0.000 0.258 56 T C 1.421 176.045 174.700 -0.127 0.000 1.063 56 T CA 0.966 62.895 62.100 -0.286 0.000 1.139 56 T CB -0.331 68.205 68.868 -0.552 0.000 0.890 56 T HN 0.715 nan 8.240 nan 0.000 0.471 57 G N 0.430 109.203 108.800 -0.045 0.000 2.162 57 G HA2 -0.237 3.833 3.960 0.183 0.000 0.260 57 G HA3 -0.237 3.833 3.960 0.183 0.000 0.260 57 G C 0.052 174.962 174.900 0.018 0.000 0.976 57 G CA 0.267 45.370 45.100 0.005 0.000 0.655 57 G HN 0.588 nan 8.290 nan 0.000 0.533 58 F N 3.227 123.099 119.950 -0.131 0.000 2.408 58 F HA 0.563 5.200 4.527 0.183 0.000 0.344 58 F C -1.147 174.629 175.800 -0.040 0.000 1.112 58 F CA -2.137 55.822 58.000 -0.068 0.000 1.096 58 F CB 1.312 40.253 39.000 -0.099 0.000 1.129 58 F HN -0.018 nan 8.300 nan 0.000 0.486 59 P HA -0.039 nan 4.420 nan 0.000 0.266 59 P C -1.281 176.124 177.300 0.174 0.000 1.195 59 P CA -0.147 62.948 63.100 -0.009 0.000 0.768 59 P CB 0.477 32.103 31.700 -0.124 0.000 0.838 60 E N 3.992 124.257 120.200 0.107 0.000 1.802 60 E HA 0.242 4.702 4.350 0.183 0.000 0.265 60 E C 0.502 177.162 176.600 0.100 0.000 1.168 60 E CA -0.569 55.899 56.400 0.112 0.000 1.033 60 E CB -0.323 29.415 29.700 0.063 0.000 1.095 60 E HN 0.411 nan 8.360 nan 0.000 0.436 61 M N 0.752 120.438 119.600 0.144 0.000 2.202 61 M HA 0.270 4.859 4.480 0.183 0.000 0.316 61 M C 0.173 176.524 176.300 0.085 0.000 1.138 61 M CA -0.623 54.746 55.300 0.114 0.000 1.151 61 M CB 0.449 33.145 32.600 0.160 0.000 1.422 61 M HN 0.466 nan 8.290 nan 0.000 0.471 62 L N 0.701 121.964 121.223 0.067 0.000 3.678 62 L HA -0.236 4.213 4.340 0.183 0.000 0.425 62 L C 0.910 177.807 176.870 0.046 0.000 1.240 62 L CA 0.710 55.582 54.840 0.053 0.000 0.876 62 L CB -2.678 39.414 42.059 0.054 0.000 1.766 62 L HN 1.320 nan 8.230 nan 0.000 0.917 63 G N -1.243 107.583 108.800 0.042 0.000 2.187 63 G HA2 0.006 4.076 3.960 0.183 0.000 0.261 63 G HA3 0.006 4.076 3.960 0.183 0.000 0.261 63 G C 1.177 176.098 174.900 0.035 0.000 1.000 63 G CA 0.783 45.904 45.100 0.035 0.000 0.718 63 G HN 1.980 nan 8.290 nan 0.000 0.519 64 G N -1.306 107.520 108.800 0.043 0.000 2.157 64 G HA2 -0.292 3.777 3.960 0.183 0.000 0.239 64 G HA3 -0.292 3.777 3.960 0.183 0.000 0.239 64 G C 1.032 175.954 174.900 0.036 0.000 0.982 64 G CA 1.091 46.214 45.100 0.040 0.000 0.650 64 G HN 0.926 nan 8.290 nan 0.000 0.527 65 R N -0.214 120.310 120.500 0.039 0.000 2.200 65 R HA 0.055 4.505 4.340 0.183 0.000 0.234 65 R C 2.111 178.429 176.300 0.031 0.000 1.127 65 R CA 1.746 57.868 56.100 0.037 0.000 0.989 65 R CB -0.102 30.223 30.300 0.041 0.000 0.869 65 R HN 0.976 nan 8.270 nan 0.000 0.459 66 V N -2.009 117.921 119.914 0.025 0.000 3.078 66 V HA 0.127 4.357 4.120 0.183 0.000 0.344 66 V C 1.313 177.404 176.094 -0.005 0.000 1.409 66 V CA -0.449 61.854 62.300 0.005 0.000 1.146 66 V CB 0.456 32.268 31.823 -0.019 0.000 1.126 66 V HN 0.150 nan 8.190 nan 0.000 0.513 67 K N 1.551 121.958 120.400 0.012 0.000 2.280 67 K HA -0.133 4.297 4.320 0.183 0.000 0.202 67 K C 1.570 178.165 176.600 -0.008 0.000 1.047 67 K CA 2.070 58.359 56.287 0.004 0.000 0.942 67 K CB -0.605 31.903 32.500 0.013 0.000 0.739 67 K HN 0.640 nan 8.250 nan 0.000 0.457 68 T N -1.303 113.259 114.554 0.013 0.000 3.040 68 T HA 0.223 4.683 4.350 0.183 0.000 0.250 68 T C 0.863 175.630 174.700 0.112 0.000 1.058 68 T CA -0.424 61.690 62.100 0.023 0.000 0.988 68 T CB -0.049 68.824 68.868 0.008 0.000 0.993 68 T HN 0.095 nan 8.240 nan 0.000 0.519 69 L N 3.001 124.279 121.223 0.093 0.000 2.480 69 L HA 0.407 4.856 4.340 0.183 0.000 0.243 69 L C 0.179 177.091 176.870 0.069 0.000 1.315 69 L CA -0.306 54.589 54.840 0.091 0.000 1.231 69 L CB -0.533 41.527 42.059 0.002 0.000 1.444 69 L HN 0.404 nan 8.230 nan 0.000 0.409 70 H N 0.843 119.926 119.070 0.022 0.000 3.012 70 H HA 0.259 4.925 4.556 0.183 0.000 0.367 70 H C -2.351 172.970 175.328 -0.013 0.000 1.211 70 H CA -1.511 54.499 56.048 -0.063 0.000 1.139 70 H CB 3.047 32.733 29.762 -0.128 0.000 1.838 70 H HN -0.076 nan 8.280 nan 0.000 0.550 71 P HA -0.104 nan 4.420 nan 0.000 0.216 71 P C 1.101 178.282 177.300 -0.199 0.000 1.150 71 P CA 2.139 65.200 63.100 -0.065 0.000 0.837 71 P CB 0.060 31.764 31.700 0.006 0.000 0.786 72 A N -0.839 121.763 122.820 -0.364 0.000 1.933 72 A HA -0.155 4.275 4.320 0.183 0.000 0.218 72 A C 2.279 179.562 177.584 -0.501 0.000 1.175 72 A CA 1.810 53.188 52.037 -1.099 0.000 0.628 72 A CB -1.564 17.007 19.000 -0.716 0.000 0.814 72 A HN 0.052 nan 8.150 nan 0.000 0.444 73 V N -0.860 118.917 119.914 -0.227 0.000 2.256 73 V HA -0.158 4.072 4.120 0.183 0.000 0.240 73 V C 2.361 178.297 176.094 -0.264 0.000 1.036 73 V CA 1.753 63.913 62.300 -0.234 0.000 1.008 73 V CB -0.996 30.693 31.823 -0.223 0.000 0.648 73 V HN 0.644 nan 8.190 nan 0.000 0.453 74 H N 0.028 119.054 119.070 -0.073 0.000 2.457 74 H HA 0.030 4.696 4.556 0.183 0.000 0.294 74 H C 2.297 177.611 175.328 -0.023 0.000 1.064 74 H CA 1.462 57.485 56.048 -0.041 0.000 1.330 74 H CB -0.080 29.665 29.762 -0.029 0.000 1.395 74 H HN 0.453 nan 8.280 nan 0.000 0.541 75 A N 0.778 123.634 122.820 0.061 0.000 1.930 75 A HA -0.054 4.376 4.320 0.183 0.000 0.217 75 A C 2.804 180.424 177.584 0.059 0.000 1.175 75 A CA 1.303 53.399 52.037 0.098 0.000 0.627 75 A CB -0.967 18.163 19.000 0.216 0.000 0.815 75 A HN 0.436 nan 8.150 nan 0.000 0.443 76 G N 0.125 108.914 108.800 -0.019 0.000 2.442 76 G HA2 -0.194 3.876 3.960 0.183 0.000 0.219 76 G HA3 -0.194 3.876 3.960 0.183 0.000 0.219 76 G C 1.498 176.387 174.900 -0.018 0.000 1.141 76 G CA 1.221 46.308 45.100 -0.022 0.000 0.763 76 G HN 0.493 nan 8.290 nan 0.000 0.554 77 I N -0.071 120.476 120.570 -0.037 0.000 2.333 77 I HA 0.014 4.294 4.170 0.183 0.000 0.246 77 I C 2.439 178.569 176.117 0.021 0.000 1.106 77 I CA 0.627 61.913 61.300 -0.023 0.000 1.411 77 I CB -0.104 37.861 38.000 -0.059 0.000 1.082 77 I HN 0.086 nan 8.210 nan 0.000 0.420 78 L N 0.668 121.921 121.223 0.049 0.000 2.418 78 L HA 0.155 4.605 4.340 0.183 0.000 0.218 78 L C 1.385 178.283 176.870 0.047 0.000 1.125 78 L CA -0.374 54.502 54.840 0.059 0.000 0.835 78 L CB -0.381 41.726 42.059 0.080 0.000 0.953 78 L HN 0.109 nan 8.230 nan 0.000 0.454 79 A N 0.710 123.559 122.820 0.048 0.000 2.483 79 A HA 0.363 4.793 4.320 0.183 0.000 0.238 79 A C 0.094 177.695 177.584 0.029 0.000 1.070 79 A CA 0.035 52.099 52.037 0.045 0.000 0.770 79 A CB 0.156 19.191 19.000 0.058 0.000 1.008 79 A HN 0.229 nan 8.150 nan 0.000 0.497 80 R N 0.584 121.097 120.500 0.023 0.000 2.720 80 R HA 0.342 4.792 4.340 0.183 0.000 0.272 80 R C -0.197 176.111 176.300 0.013 0.000 0.991 80 R CA -0.716 55.391 56.100 0.012 0.000 1.010 80 R CB 0.602 30.906 30.300 0.007 0.000 1.141 80 R HN 0.721 nan 8.270 nan 0.000 0.494 81 N N 2.275 120.980 118.700 0.008 0.000 3.050 81 N HA 0.142 4.992 4.740 0.183 0.000 0.289 81 N C -0.989 174.525 175.510 0.006 0.000 1.209 81 N CA -0.091 52.964 53.050 0.008 0.000 1.154 81 N CB -0.359 38.131 38.487 0.006 0.000 1.444 81 N HN 0.499 nan 8.380 nan 0.000 0.529 82 I N -2.107 118.468 120.570 0.008 0.000 2.969 82 I HA 0.572 4.851 4.170 0.183 0.000 0.307 82 I C -2.111 174.010 176.117 0.007 0.000 1.149 82 I CA -2.560 58.744 61.300 0.006 0.000 1.008 82 I CB 2.083 40.087 38.000 0.006 0.000 1.232 82 I HN -0.103 nan 8.210 nan 0.000 0.435 83 P HA -0.195 nan 4.420 nan 0.000 0.213 83 P C 0.971 178.274 177.300 0.005 0.000 1.176 83 P CA 1.971 65.073 63.100 0.004 0.000 0.919 83 P CB 0.141 31.843 31.700 0.003 0.000 0.791 84 E N -0.431 119.772 120.200 0.005 0.000 2.065 84 E HA -0.223 4.237 4.350 0.183 0.000 0.201 84 E C 1.815 178.420 176.600 0.008 0.000 1.016 84 E CA 1.815 58.218 56.400 0.005 0.000 0.818 84 E CB -1.196 28.507 29.700 0.006 0.000 0.749 84 E HN 0.314 nan 8.360 nan 0.000 0.453 85 D N -0.006 120.402 120.400 0.013 0.000 2.117 85 D HA -0.103 4.647 4.640 0.183 0.000 0.197 85 D C 1.563 177.876 176.300 0.022 0.000 0.987 85 D CA 0.839 54.852 54.000 0.021 0.000 0.829 85 D CB -0.307 40.508 40.800 0.024 0.000 0.961 85 D HN 0.115 nan 8.370 nan 0.000 0.460 86 N N 0.269 118.979 118.700 0.016 0.000 2.223 86 N HA -0.096 4.754 4.740 0.183 0.000 0.185 86 N C 1.657 177.172 175.510 0.008 0.000 1.016 86 N CA 1.059 54.118 53.050 0.016 0.000 0.863 86 N CB -0.097 38.397 38.487 0.012 0.000 0.983 86 N HN 0.135 nan 8.380 nan 0.000 0.429 87 A N 1.282 124.104 122.820 0.002 0.000 1.898 87 A HA -0.121 4.309 4.320 0.183 0.000 0.216 87 A C 1.855 179.430 177.584 -0.015 0.000 1.181 87 A CA 1.347 53.380 52.037 -0.007 0.000 0.620 87 A CB -0.306 18.690 19.000 -0.007 0.000 0.819 87 A HN 0.076 nan 8.150 nan 0.000 0.442 88 D N -0.354 120.041 120.400 -0.009 0.000 2.097 88 D HA -0.141 4.608 4.640 0.183 0.000 0.195 88 D C 2.061 178.338 176.300 -0.038 0.000 0.989 88 D CA 1.272 55.260 54.000 -0.020 0.000 0.827 88 D CB -0.280 40.522 40.800 0.003 0.000 0.966 88 D HN 0.272 nan 8.370 nan 0.000 0.456 89 M N 0.362 119.964 119.600 0.003 0.000 2.086 89 M HA -0.105 4.485 4.480 0.183 0.000 0.261 89 M C 1.859 178.142 176.300 -0.028 0.000 1.067 89 M CA 1.070 56.385 55.300 0.025 0.000 1.116 89 M CB -1.265 31.385 32.600 0.083 0.000 1.348 89 M HN 0.101 nan 8.290 nan 0.000 0.407 90 N N 0.219 118.907 118.700 -0.019 0.000 2.069 90 N HA -0.210 4.640 4.740 0.183 0.000 0.191 90 N C 1.792 177.263 175.510 -0.064 0.000 1.031 90 N CA 1.245 54.279 53.050 -0.027 0.000 0.852 90 N CB -0.088 38.390 38.487 -0.016 0.000 1.018 90 N HN 0.312 nan 8.380 nan 0.000 0.423 91 K N 0.665 121.017 120.400 -0.080 0.000 2.097 91 K HA -0.104 4.325 4.320 0.183 0.000 0.206 91 K C 1.498 177.996 176.600 -0.170 0.000 1.049 91 K CA 1.073 57.301 56.287 -0.099 0.000 0.933 91 K CB 0.258 32.709 32.500 -0.082 0.000 0.717 91 K HN 0.124 nan 8.250 nan 0.000 0.442 92 Q N 0.141 119.765 119.800 -0.293 0.000 2.425 92 Q HA -0.045 4.404 4.340 0.183 0.000 0.204 92 Q C -0.213 175.454 176.000 -0.554 0.000 0.933 92 Q CA 0.583 56.041 55.803 -0.575 0.000 0.939 92 Q CB 0.420 28.501 28.738 -1.095 0.000 1.044 92 Q HN 0.336 nan 8.270 nan 0.000 0.513 93 D N -0.900 119.353 120.400 -0.245 0.000 2.870 93 D HA -0.176 4.573 4.640 0.183 0.000 0.228 93 D C -1.332 175.052 176.300 0.141 0.000 1.147 93 D CA 0.247 54.218 54.000 -0.050 0.000 0.757 93 D CB -0.935 39.856 40.800 -0.016 0.000 1.091 93 D HN 0.008 nan 8.370 nan 0.000 0.429 94 F N 0.600 120.565 119.950 0.025 0.000 2.404 94 F HA 0.522 5.158 4.527 0.183 0.000 0.339 94 F C 1.272 177.080 175.800 0.014 0.000 1.105 94 F CA -1.145 56.871 58.000 0.026 0.000 1.087 94 F CB 1.568 40.589 39.000 0.035 0.000 1.143 94 F HN -0.241 nan 8.300 nan 0.000 0.491 95 S N 2.970 118.786 115.700 0.193 0.000 2.646 95 S HA 0.587 5.167 4.470 0.183 0.000 0.276 95 S C -0.061 174.576 174.600 0.062 0.000 1.222 95 S CA -0.711 57.545 58.200 0.093 0.000 1.014 95 S CB 0.993 64.222 63.200 0.048 0.000 0.991 95 S HN 0.362 nan 8.310 nan 0.000 0.533 96 L N 1.874 123.121 121.223 0.039 0.000 2.395 96 L HA 0.394 4.843 4.340 0.183 0.000 0.269 96 L C -0.592 176.274 176.870 -0.007 0.000 1.133 96 L CA -0.634 54.219 54.840 0.021 0.000 0.812 96 L CB 0.777 42.847 42.059 0.019 0.000 1.125 96 L HN 0.297 nan 8.230 nan 0.000 0.452 97 V N 3.748 123.650 119.914 -0.020 0.000 2.350 97 V HA 0.235 4.465 4.120 0.183 0.000 0.276 97 V C 0.895 176.973 176.094 -0.027 0.000 1.028 97 V CA -0.329 61.948 62.300 -0.038 0.000 0.860 97 V CB 1.271 33.058 31.823 -0.061 0.000 0.990 97 V HN 0.772 nan 8.190 nan 0.000 0.453 98 R N 3.968 124.450 120.500 -0.029 0.000 2.156 98 R HA 0.231 4.681 4.340 0.183 0.000 0.207 98 R C -0.124 176.167 176.300 -0.015 0.000 1.040 98 R CA 0.694 56.783 56.100 -0.019 0.000 1.013 98 R CB 0.590 30.876 30.300 -0.023 0.000 0.931 98 R HN 0.532 nan 8.270 nan 0.000 0.465 99 V N 1.284 121.178 119.914 -0.032 0.000 2.709 99 V HA 0.390 4.619 4.120 0.183 0.000 0.308 99 V C -0.988 175.091 176.094 -0.026 0.000 1.062 99 V CA -0.862 61.426 62.300 -0.020 0.000 0.901 99 V CB 2.176 33.970 31.823 -0.048 0.000 1.003 99 V HN -0.181 nan 8.190 nan 0.000 0.425 100 V N 4.727 124.641 119.914 0.001 0.000 2.483 100 V HA 0.490 4.720 4.120 0.183 0.000 0.297 100 V C -0.517 175.600 176.094 0.038 0.000 1.027 100 V CA -0.550 61.745 62.300 -0.009 0.000 0.855 100 V CB 2.059 33.863 31.823 -0.031 0.000 0.995 100 V HN 0.625 nan 8.190 nan 0.000 0.424 101 V N 4.294 124.238 119.914 0.050 0.000 2.334 101 V HA 0.575 4.805 4.120 0.183 0.000 0.281 101 V C -0.257 175.880 176.094 0.072 0.000 1.016 101 V CA -0.362 62.011 62.300 0.122 0.000 0.832 101 V CB 1.281 33.206 31.823 0.171 0.000 0.999 101 V HN 0.985 nan 8.190 nan 0.000 0.439 102 C N 5.912 125.240 119.300 0.048 0.000 2.891 102 C HA 0.836 5.405 4.460 0.183 0.000 0.342 102 C C -1.161 173.820 174.990 -0.015 0.000 1.126 102 C CA -0.453 58.576 59.018 0.018 0.000 1.322 102 C CB 1.381 29.116 27.740 -0.008 0.000 1.763 102 C HN 1.130 nan 8.230 nan 0.000 0.491 103 N N 4.024 122.736 118.700 0.020 0.000 2.396 103 N HA 0.734 5.583 4.740 0.183 0.000 0.275 103 N C -1.796 173.804 175.510 0.150 0.000 1.218 103 N CA -0.825 52.252 53.050 0.046 0.000 0.812 103 N CB 0.873 39.335 38.487 -0.041 0.000 1.592 103 N HN 0.616 nan 8.380 nan 0.000 0.480 104 L N 0.492 121.896 121.223 0.302 0.000 2.334 104 L HA 0.458 4.908 4.340 0.183 0.000 0.275 104 L C -0.522 176.436 176.870 0.147 0.000 1.036 104 L CA -1.258 53.620 54.840 0.063 0.000 0.807 104 L CB 0.814 42.664 42.059 -0.348 0.000 1.231 104 L HN 0.615 nan 8.230 nan 0.000 0.438 105 Y N 3.674 124.017 120.300 0.072 0.000 2.465 105 Y HA 0.176 4.836 4.550 0.184 0.000 0.331 105 Y C -2.019 173.996 175.900 0.192 0.000 1.102 105 Y CA -2.069 56.098 58.100 0.111 0.000 1.358 105 Y CB 0.452 38.974 38.460 0.102 0.000 1.213 105 Y HN 0.341 nan 8.280 nan 0.000 0.525 106 P HA -0.110 nan 4.420 nan 0.000 0.261 106 P C 0.212 177.472 177.300 -0.067 0.000 1.183 106 P CA 0.502 63.520 63.100 -0.137 0.000 0.761 106 P CB 0.232 31.777 31.700 -0.258 0.000 0.785 107 F N 4.264 124.163 119.950 -0.085 0.000 2.216 107 F HA -0.172 4.464 4.527 0.181 0.000 0.300 107 F C 1.951 177.622 175.800 -0.215 0.000 1.085 107 F CA 1.321 59.197 58.000 -0.207 0.000 1.326 107 F CB -0.362 38.333 39.000 -0.509 0.000 1.027 107 F HN 0.041 nan 8.300 nan 0.000 0.497 108 V N 0.201 120.015 119.914 -0.166 0.000 2.490 108 V HA -0.316 3.913 4.120 0.183 0.000 0.250 108 V C 2.300 178.240 176.094 -0.256 0.000 1.061 108 V CA 2.023 64.198 62.300 -0.208 0.000 1.064 108 V CB -0.535 31.220 31.823 -0.113 0.000 0.670 108 V HN 0.276 nan 8.190 nan 0.000 0.461 109 K N -0.702 119.534 120.400 -0.274 0.000 2.103 109 K HA -0.101 4.328 4.320 0.183 0.000 0.204 109 K C 2.238 178.762 176.600 -0.126 0.000 1.052 109 K CA 1.618 57.765 56.287 -0.234 0.000 0.945 109 K CB -0.404 31.824 32.500 -0.455 0.000 0.722 109 K HN 0.419 nan 8.250 nan 0.000 0.443 110 T N 1.377 115.836 114.554 -0.158 0.000 2.652 110 T HA -0.137 4.323 4.350 0.183 0.000 0.267 110 T C 1.986 176.458 174.700 -0.380 0.000 1.039 110 T CA 1.898 63.901 62.100 -0.162 0.000 1.153 110 T CB -0.271 68.392 68.868 -0.342 0.000 0.863 110 T HN 0.204 nan 8.240 nan 0.000 0.428 111 V N -0.393 119.118 119.914 -0.671 0.000 2.970 111 V HA 0.064 4.293 4.120 0.183 0.000 0.260 111 V C 2.055 177.964 176.094 -0.309 0.000 1.100 111 V CA 1.374 63.284 62.300 -0.650 0.000 1.122 111 V CB -0.649 30.569 31.823 -1.007 0.000 0.721 111 V HN 0.273 nan 8.190 nan 0.000 0.483 112 S N 0.082 115.647 115.700 -0.224 0.000 2.528 112 S HA 0.113 4.693 4.470 0.183 0.000 0.219 112 S C 1.176 175.732 174.600 -0.072 0.000 0.985 112 S CA 0.738 58.867 58.200 -0.119 0.000 0.914 112 S CB -0.205 62.935 63.200 -0.099 0.000 0.776 112 S HN 0.666 nan 8.310 nan 0.000 0.526 113 S N 3.382 119.039 115.700 -0.071 0.000 2.525 113 S HA 0.141 4.720 4.470 0.183 0.000 0.285 113 S C -2.663 171.918 174.600 -0.032 0.000 1.283 113 S CA -1.402 56.778 58.200 -0.034 0.000 1.072 113 S CB 0.104 63.287 63.200 -0.028 0.000 0.867 113 S HN 0.028 nan 8.310 nan 0.000 0.492 114 P HA 0.145 nan 4.420 nan 0.000 0.261 114 P C 0.861 178.156 177.300 -0.008 0.000 1.183 114 P CA 1.129 64.223 63.100 -0.011 0.000 0.761 114 P CB 0.098 31.795 31.700 -0.005 0.000 0.785 115 G N 1.929 110.727 108.800 -0.004 0.000 2.168 115 G HA2 -0.266 3.804 3.960 0.183 0.000 0.263 115 G HA3 -0.266 3.804 3.960 0.183 0.000 0.263 115 G C 0.319 175.221 174.900 0.003 0.000 0.977 115 G CA 0.009 45.110 45.100 0.002 0.000 0.659 115 G HN 0.669 nan 8.290 nan 0.000 0.533 116 V N 2.206 122.116 119.914 -0.006 0.000 2.673 116 V HA 0.518 4.748 4.120 0.183 0.000 0.303 116 V C 1.323 177.431 176.094 0.023 0.000 1.046 116 V CA 1.047 63.343 62.300 -0.006 0.000 1.126 116 V CB 0.854 32.650 31.823 -0.044 0.000 0.934 116 V HN 1.024 nan 8.190 nan 0.000 0.487 117 T N 3.561 118.136 114.554 0.035 0.000 2.881 117 T HA 0.361 4.821 4.350 0.183 0.000 0.278 117 T C 1.080 175.840 174.700 0.099 0.000 0.982 117 T CA -0.072 62.061 62.100 0.055 0.000 0.989 117 T CB 1.515 70.408 68.868 0.042 0.000 1.058 117 T HN 0.408 nan 8.240 nan 0.000 0.529 118 V N 1.970 121.945 119.914 0.102 0.000 2.295 118 V HA -0.042 4.188 4.120 0.183 0.000 0.246 118 V C -0.526 175.655 176.094 0.145 0.000 1.049 118 V CA 1.525 63.908 62.300 0.139 0.000 1.024 118 V CB -1.732 30.075 31.823 -0.025 0.000 0.648 118 V HN 0.746 nan 8.190 nan 0.000 0.447 119 P HA -0.155 nan 4.420 nan 0.000 0.215 119 P C 1.607 178.972 177.300 0.108 0.000 1.153 119 P CA 1.440 64.600 63.100 0.101 0.000 0.853 119 P CB -0.007 31.734 31.700 0.069 0.000 0.788 120 E N -0.478 119.774 120.200 0.086 0.000 2.051 120 E HA -0.153 4.307 4.350 0.183 0.000 0.192 120 E C 2.116 178.768 176.600 0.086 0.000 0.991 120 E CA 1.261 57.703 56.400 0.069 0.000 0.799 120 E CB -0.618 29.105 29.700 0.039 0.000 0.748 120 E HN 0.153 nan 8.360 nan 0.000 0.449 121 A N 1.108 123.984 122.820 0.093 0.000 1.902 121 A HA -0.142 4.288 4.320 0.183 0.000 0.217 121 A C 2.539 180.290 177.584 0.278 0.000 1.181 121 A CA 1.166 53.244 52.037 0.069 0.000 0.623 121 A CB -0.741 18.205 19.000 -0.090 0.000 0.818 121 A HN 0.114 nan 8.150 nan 0.000 0.443 122 V N 0.318 120.434 119.914 0.337 0.000 2.332 122 V HA -0.266 3.963 4.120 0.183 0.000 0.248 122 V C 2.620 178.878 176.094 0.274 0.000 1.055 122 V CA 2.480 65.009 62.300 0.382 0.000 1.038 122 V CB -0.735 31.274 31.823 0.311 0.000 0.651 122 V HN 0.764 nan 8.190 nan 0.000 0.450 123 E N 0.527 120.845 120.200 0.196 0.000 2.209 123 E HA -0.207 4.252 4.350 0.183 0.000 0.196 123 E C 1.973 178.667 176.600 0.155 0.000 0.993 123 E CA 1.252 57.741 56.400 0.148 0.000 0.819 123 E CB -0.153 29.610 29.700 0.104 0.000 0.745 123 E HN 0.390 nan 8.360 nan 0.000 0.477 124 K N 0.142 120.656 120.400 0.191 0.000 2.459 124 K HA 0.104 4.534 4.320 0.183 0.000 0.193 124 K C 0.314 177.093 176.600 0.298 0.000 1.030 124 K CA -0.036 56.374 56.287 0.205 0.000 1.026 124 K CB -0.056 32.554 32.500 0.183 0.000 0.809 124 K HN 0.279 nan 8.250 nan 0.000 0.504 125 I N 2.805 123.558 120.570 0.307 0.000 2.741 125 I HA -0.119 4.160 4.170 0.183 0.000 0.288 125 I C 0.801 177.067 176.117 0.249 0.000 1.192 125 I CA 0.315 61.774 61.300 0.265 0.000 1.426 125 I CB 0.164 38.235 38.000 0.120 0.000 1.367 125 I HN 0.005 nan 8.210 nan 0.000 0.563 126 D N 7.087 127.690 120.400 0.338 0.000 2.351 126 D HA 0.106 4.856 4.640 0.183 0.000 0.251 126 D C 0.481 176.834 176.300 0.088 0.000 1.137 126 D CA -0.120 53.963 54.000 0.139 0.000 0.879 126 D CB 1.334 42.097 40.800 -0.062 0.000 1.181 126 D HN 0.309 nan 8.370 nan 0.000 0.448 127 I N 2.945 123.550 120.570 0.057 0.000 3.393 127 I HA 0.046 4.326 4.170 0.183 0.000 0.250 127 I C 2.354 178.488 176.117 0.029 0.000 1.122 127 I CA 0.381 61.707 61.300 0.043 0.000 1.484 127 I CB -1.376 36.652 38.000 0.047 0.000 1.468 127 I HN 0.539 nan 8.210 nan 0.000 0.461 128 G N 1.113 109.933 108.800 0.034 0.000 2.446 128 G HA2 -0.199 3.870 3.960 0.183 0.000 0.217 128 G HA3 -0.199 3.870 3.960 0.183 0.000 0.217 128 G C 1.648 176.567 174.900 0.032 0.000 1.168 128 G CA 1.051 46.178 45.100 0.044 0.000 0.771 128 G HN 0.475 nan 8.290 nan 0.000 0.551 129 G N 0.325 109.124 108.800 -0.002 0.000 2.418 129 G HA2 -0.137 3.932 3.960 0.183 0.000 0.217 129 G HA3 -0.137 3.932 3.960 0.183 0.000 0.217 129 G C 1.800 176.680 174.900 -0.034 0.000 1.158 129 G CA 1.215 46.301 45.100 -0.024 0.000 0.771 129 G HN 0.324 nan 8.290 nan 0.000 0.545 130 V N 1.652 121.530 119.914 -0.060 0.000 2.287 130 V HA -0.181 4.048 4.120 0.183 0.000 0.248 130 V C 3.346 179.445 176.094 0.008 0.000 1.053 130 V CA 2.144 64.413 62.300 -0.051 0.000 1.027 130 V CB -0.937 30.857 31.823 -0.049 0.000 0.646 130 V HN 0.483 nan 8.190 nan 0.000 0.447 131 A N -0.360 122.487 122.820 0.045 0.000 1.902 131 A HA -0.149 4.281 4.320 0.183 0.000 0.217 131 A C 2.220 179.916 177.584 0.187 0.000 1.181 131 A CA 1.759 53.859 52.037 0.105 0.000 0.623 131 A CB -0.518 18.542 19.000 0.101 0.000 0.818 131 A HN 0.503 nan 8.150 nan 0.000 0.443 132 L N -0.767 120.528 121.223 0.120 0.000 2.012 132 L HA -0.214 4.236 4.340 0.183 0.000 0.210 132 L C 2.641 179.501 176.870 -0.017 0.000 1.073 132 L CA 1.346 56.197 54.840 0.019 0.000 0.748 132 L CB -0.701 41.332 42.059 -0.044 0.000 0.891 132 L HN 0.385 nan 8.230 nan 0.000 0.431 133 L N -0.614 120.586 121.223 -0.039 0.000 2.017 133 L HA -0.219 4.231 4.340 0.183 0.000 0.208 133 L C 2.903 179.653 176.870 -0.201 0.000 1.073 133 L CA 1.394 56.170 54.840 -0.107 0.000 0.745 133 L CB -0.493 41.511 42.059 -0.091 0.000 0.894 133 L HN 0.221 nan 8.230 nan 0.000 0.432 134 R N -0.242 120.177 120.500 -0.135 0.000 2.075 134 R HA -0.112 4.337 4.340 0.183 0.000 0.232 134 R C 2.423 178.697 176.300 -0.044 0.000 1.126 134 R CA 1.253 57.260 56.100 -0.156 0.000 0.963 134 R CB -0.512 29.849 30.300 0.102 0.000 0.858 134 R HN 0.356 nan 8.270 nan 0.000 0.435 135 A N 1.494 124.342 122.820 0.046 0.000 1.877 135 A HA -0.104 4.325 4.320 0.183 0.000 0.216 135 A C 2.410 180.022 177.584 0.046 0.000 1.186 135 A CA 1.689 53.785 52.037 0.099 0.000 0.620 135 A CB -0.659 18.461 19.000 0.201 0.000 0.822 135 A HN 0.386 nan 8.150 nan 0.000 0.443 136 A N -0.179 122.634 122.820 -0.013 0.000 1.902 136 A HA 0.165 4.595 4.320 0.183 0.000 0.217 136 A C 2.508 180.086 177.584 -0.011 0.000 1.181 136 A CA 2.124 54.150 52.037 -0.018 0.000 0.623 136 A CB -1.030 17.944 19.000 -0.044 0.000 0.818 136 A HN 1.074 nan 8.150 nan 0.000 0.443 137 A N -0.233 122.502 122.820 -0.140 0.000 1.933 137 A HA -0.164 4.265 4.320 0.183 0.000 0.218 137 A C 2.133 179.845 177.584 0.213 0.000 1.175 137 A CA 1.998 53.922 52.037 -0.188 0.000 0.628 137 A CB -0.438 18.005 19.000 -0.929 0.000 0.814 137 A HN 0.577 nan 8.150 nan 0.000 0.444 138 K N -0.491 120.064 120.400 0.258 0.000 2.057 138 K HA -0.159 4.271 4.320 0.183 0.000 0.206 138 K C 0.960 177.709 176.600 0.248 0.000 1.050 138 K CA 1.536 58.066 56.287 0.406 0.000 0.935 138 K CB -0.163 32.523 32.500 0.310 0.000 0.715 138 K HN 0.369 nan 8.250 nan 0.000 0.439 139 N N 1.210 119.993 118.700 0.137 0.000 2.466 139 N HA -0.046 4.803 4.740 0.183 0.000 0.251 139 N C 0.633 176.148 175.510 0.008 0.000 1.164 139 N CA -0.054 53.015 53.050 0.031 0.000 0.888 139 N CB -0.128 38.380 38.487 0.035 0.000 1.177 139 N HN 0.355 nan 8.380 nan 0.000 0.498 140 H N -1.965 117.142 119.070 0.061 0.000 2.561 140 H HA 0.047 4.713 4.556 0.183 0.000 0.278 140 H C 1.334 176.690 175.328 0.048 0.000 1.014 140 H CA 0.900 56.979 56.048 0.051 0.000 1.211 140 H CB -0.184 29.619 29.762 0.068 0.000 1.365 140 H HN 0.237 nan 8.280 nan 0.000 0.594 141 A N 1.364 124.002 122.820 -0.302 0.000 2.019 141 A HA -0.132 4.297 4.320 0.183 0.000 0.219 141 A C 2.530 180.087 177.584 -0.044 0.000 1.164 141 A CA 1.615 53.551 52.037 -0.167 0.000 0.644 141 A CB -0.415 18.484 19.000 -0.168 0.000 0.805 141 A HN 0.478 nan 8.150 nan 0.000 0.449 142 R N -2.023 118.462 120.500 -0.024 0.000 2.444 142 R HA 0.230 4.679 4.340 0.183 0.000 0.201 142 R C -0.609 175.705 176.300 0.022 0.000 0.861 142 R CA 0.308 56.410 56.100 0.003 0.000 1.034 142 R CB 0.675 30.974 30.300 -0.002 0.000 1.347 142 R HN 0.199 nan 8.270 nan 0.000 0.659 143 V N 2.035 121.968 119.914 0.032 0.000 2.509 143 V HA 0.270 4.499 4.120 0.183 0.000 0.284 143 V C -0.141 175.989 176.094 0.061 0.000 1.047 143 V CA -0.227 62.095 62.300 0.037 0.000 0.952 143 V CB 1.586 33.425 31.823 0.026 0.000 0.988 143 V HN 0.144 nan 8.190 nan 0.000 0.469 144 T N 4.531 119.116 114.554 0.052 0.000 2.733 144 T HA 0.384 4.843 4.350 0.183 0.000 0.294 144 T C -0.399 174.338 174.700 0.061 0.000 0.956 144 T CA -0.037 62.104 62.100 0.069 0.000 0.987 144 T CB 1.212 70.128 68.868 0.080 0.000 0.920 144 T HN 0.472 nan 8.240 nan 0.000 0.470 145 V N 5.736 125.678 119.914 0.047 0.000 2.417 145 V HA 0.648 4.877 4.120 0.183 0.000 0.291 145 V C -0.854 175.256 176.094 0.027 0.000 1.024 145 V CA -0.461 61.851 62.300 0.019 0.000 0.861 145 V CB 1.417 33.218 31.823 -0.038 0.000 0.985 145 V HN 0.672 nan 8.190 nan 0.000 0.436 146 V N 6.969 126.917 119.914 0.058 0.000 2.380 146 V HA 0.241 4.470 4.120 0.183 0.000 0.286 146 V C 0.636 176.735 176.094 0.007 0.000 1.015 146 V CA -0.243 62.094 62.300 0.061 0.000 0.834 146 V CB 0.978 32.922 31.823 0.202 0.000 1.009 146 V HN 1.089 nan 8.190 nan 0.000 0.428 147 C N 0.014 119.238 119.300 -0.127 0.000 3.038 147 C HA 0.392 4.962 4.460 0.183 0.000 0.279 147 C C 0.389 175.186 174.990 -0.321 0.000 1.276 147 C CA -0.099 58.760 59.018 -0.265 0.000 1.697 147 C CB -0.699 26.750 27.740 -0.484 0.000 2.032 147 C HN 0.740 nan 8.230 nan 0.000 0.636 148 D N 1.159 121.390 120.400 -0.282 0.000 2.471 148 D HA 0.387 5.137 4.640 0.183 0.000 0.245 148 D C -1.924 174.026 176.300 -0.584 0.000 1.116 148 D CA -1.890 51.908 54.000 -0.337 0.000 0.853 148 D CB 1.998 42.648 40.800 -0.250 0.000 1.123 148 D HN -0.103 nan 8.370 nan 0.000 0.540 149 P HA -0.137 nan 4.420 nan 0.000 0.218 149 P C 0.986 177.723 177.300 -0.937 0.000 1.146 149 P CA 1.212 63.464 63.100 -1.413 0.000 0.820 149 P CB 0.273 31.554 31.700 -0.698 0.000 0.778 150 A N -0.542 121.983 122.820 -0.491 0.000 2.125 150 A HA -0.182 4.248 4.320 0.183 0.000 0.219 150 A C 1.713 179.143 177.584 -0.257 0.000 1.156 150 A CA 1.667 53.528 52.037 -0.293 0.000 0.671 150 A CB -0.913 17.974 19.000 -0.188 0.000 0.794 150 A HN 0.124 nan 8.150 nan 0.000 0.459 151 D N -1.797 118.408 120.400 -0.324 0.000 2.354 151 D HA 0.012 4.762 4.640 0.183 0.000 0.209 151 D C 1.117 177.305 176.300 -0.187 0.000 1.015 151 D CA 0.224 54.104 54.000 -0.199 0.000 0.867 151 D CB -0.189 40.520 40.800 -0.150 0.000 0.933 151 D HN 0.444 nan 8.370 nan 0.000 0.520 152 Y N 1.711 121.737 120.300 -0.458 0.000 2.069 152 Y HA -0.243 4.417 4.550 0.183 0.000 0.278 152 Y C 2.787 178.491 175.900 -0.327 0.000 1.175 152 Y CA 0.462 58.095 58.100 -0.778 0.000 1.134 152 Y CB -1.336 36.714 38.460 -0.683 0.000 0.965 152 Y HN -0.044 nan 8.280 nan 0.000 0.498 153 S N -0.202 115.506 115.700 0.013 0.000 2.359 153 S HA -0.232 4.348 4.470 0.183 0.000 0.222 153 S C 2.415 177.043 174.600 0.045 0.000 1.038 153 S CA 2.421 60.647 58.200 0.044 0.000 1.051 153 S CB -0.724 62.489 63.200 0.021 0.000 0.944 153 S HN 0.651 nan 8.310 nan 0.000 0.433 154 S N 0.453 116.163 115.700 0.016 0.000 2.402 154 S HA -0.022 4.558 4.470 0.183 0.000 0.229 154 S C 1.877 176.508 174.600 0.051 0.000 1.021 154 S CA 1.227 59.442 58.200 0.025 0.000 0.974 154 S CB -0.811 62.392 63.200 0.006 0.000 0.800 154 S HN 0.356 nan 8.310 nan 0.000 0.484 155 V N 2.495 122.445 119.914 0.061 0.000 2.358 155 V HA -0.083 4.147 4.120 0.183 0.000 0.246 155 V C 3.153 179.366 176.094 0.198 0.000 1.047 155 V CA 1.650 64.025 62.300 0.125 0.000 1.035 155 V CB -1.439 30.474 31.823 0.150 0.000 0.658 155 V HN 0.665 nan 8.190 nan 0.000 0.452 156 A N -0.218 122.766 122.820 0.274 0.000 1.902 156 A HA -0.269 4.160 4.320 0.183 0.000 0.217 156 A C 2.334 179.991 177.584 0.122 0.000 1.181 156 A CA 2.201 54.390 52.037 0.253 0.000 0.623 156 A CB -0.488 18.692 19.000 0.301 0.000 0.818 156 A HN 0.533 nan 8.150 nan 0.000 0.443 157 K N -0.189 120.268 120.400 0.096 0.000 2.057 157 K HA -0.217 4.212 4.320 0.183 0.000 0.207 157 K C 2.072 178.701 176.600 0.048 0.000 1.049 157 K CA 1.757 58.080 56.287 0.059 0.000 0.931 157 K CB -0.177 32.350 32.500 0.046 0.000 0.714 157 K HN 0.635 nan 8.250 nan 0.000 0.440 158 E N 0.297 120.529 120.200 0.053 0.000 2.047 158 E HA -0.194 4.266 4.350 0.183 0.000 0.191 158 E C 2.022 178.645 176.600 0.038 0.000 0.987 158 E CA 1.396 57.821 56.400 0.040 0.000 0.799 158 E CB -0.037 29.687 29.700 0.040 0.000 0.752 158 E HN 0.333 nan 8.360 nan 0.000 0.449 159 M N 0.331 119.961 119.600 0.050 0.000 2.159 159 M HA -0.122 4.467 4.480 0.183 0.000 0.263 159 M C 2.465 178.777 176.300 0.020 0.000 1.063 159 M CA 1.466 56.786 55.300 0.033 0.000 1.110 159 M CB -0.177 32.443 32.600 0.034 0.000 1.374 159 M HN 0.219 nan 8.290 nan 0.000 0.411 160 A N 0.398 123.232 122.820 0.025 0.000 1.933 160 A HA 0.002 4.432 4.320 0.183 0.000 0.218 160 A C 2.247 179.838 177.584 0.013 0.000 1.175 160 A CA 1.836 53.883 52.037 0.015 0.000 0.628 160 A CB -0.756 18.256 19.000 0.021 0.000 0.814 160 A HN 0.507 nan 8.150 nan 0.000 0.444 161 A N -0.880 121.950 122.820 0.016 0.000 2.238 161 A HA 0.357 4.786 4.320 0.183 0.000 0.208 161 A C 1.303 178.893 177.584 0.010 0.000 1.177 161 A CA 0.742 52.786 52.037 0.013 0.000 0.804 161 A CB -0.418 18.590 19.000 0.014 0.000 0.823 161 A HN 0.434 nan 8.150 nan 0.000 0.482 162 S N -0.413 115.294 115.700 0.011 0.000 2.537 162 S HA 0.277 4.857 4.470 0.183 0.000 0.275 162 S C 0.984 175.587 174.600 0.005 0.000 1.272 162 S CA -0.524 57.682 58.200 0.009 0.000 1.050 162 S CB 0.761 63.968 63.200 0.011 0.000 0.961 162 S HN 0.436 nan 8.310 nan 0.000 0.496 163 K N 2.256 122.658 120.400 0.004 0.000 2.148 163 K HA -0.044 4.386 4.320 0.183 0.000 0.204 163 K C 0.341 176.941 176.600 0.001 0.000 1.050 163 K CA 1.264 57.552 56.287 0.003 0.000 0.942 163 K CB -0.020 32.481 32.500 0.003 0.000 0.724 163 K HN 0.632 nan 8.250 nan 0.000 0.446 164 D N 0.735 121.137 120.400 0.002 0.000 2.342 164 D HA 0.030 4.779 4.640 0.183 0.000 0.221 164 D C -0.366 175.934 176.300 -0.000 0.000 1.101 164 D CA 0.127 54.127 54.000 0.001 0.000 0.837 164 D CB 0.401 41.203 40.800 0.003 0.000 0.938 164 D HN 0.025 nan 8.370 nan 0.000 0.508 165 K N 0.947 121.347 120.400 -0.000 0.000 3.071 165 K HA -0.204 4.226 4.320 0.183 0.000 0.262 165 K C -0.402 176.197 176.600 -0.001 0.000 0.977 165 K CA 0.651 56.937 56.287 -0.003 0.000 0.721 165 K CB -0.717 31.776 32.500 -0.011 0.000 1.293 165 K HN 0.207 nan 8.250 nan 0.000 0.475 166 D N -1.138 119.266 120.400 0.007 0.000 2.592 166 D HA 0.351 5.100 4.640 0.183 0.000 0.263 166 D C -0.168 176.146 176.300 0.024 0.000 1.132 166 D CA -0.153 53.855 54.000 0.013 0.000 0.996 166 D CB 1.346 42.153 40.800 0.011 0.000 1.442 166 D HN 0.078 nan 8.370 nan 0.000 0.486 167 T N -1.530 113.044 114.554 0.033 0.000 2.824 167 T HA 0.594 5.053 4.350 0.183 0.000 0.277 167 T C 0.516 175.235 174.700 0.032 0.000 0.975 167 T CA -0.672 61.452 62.100 0.040 0.000 0.966 167 T CB 0.731 69.632 68.868 0.055 0.000 1.054 167 T HN 0.356 nan 8.240 nan 0.000 0.533 168 S N -0.088 115.629 115.700 0.028 0.000 2.672 168 S HA 0.326 4.905 4.470 0.183 0.000 0.276 168 S C 1.695 176.315 174.600 0.035 0.000 1.207 168 S CA -0.371 57.843 58.200 0.023 0.000 1.002 168 S CB 1.008 64.213 63.200 0.010 0.000 0.998 168 S HN 1.206 nan 8.310 nan 0.000 0.542 169 V N -1.018 118.917 119.914 0.036 0.000 2.490 169 V HA -0.083 4.147 4.120 0.183 0.000 0.250 169 V C 1.976 178.110 176.094 0.067 0.000 1.061 169 V CA 1.851 64.187 62.300 0.060 0.000 1.064 169 V CB -1.462 30.392 31.823 0.052 0.000 0.670 169 V HN 0.805 nan 8.190 nan 0.000 0.461 170 E N 1.236 121.451 120.200 0.025 0.000 2.051 170 E HA -0.110 4.350 4.350 0.183 0.000 0.192 170 E C 2.370 178.955 176.600 -0.025 0.000 0.991 170 E CA 2.163 58.555 56.400 -0.014 0.000 0.799 170 E CB -1.046 28.617 29.700 -0.060 0.000 0.748 170 E HN 0.664 nan 8.360 nan 0.000 0.449 171 T N 0.651 115.199 114.554 -0.011 0.000 2.720 171 T HA -0.146 4.314 4.350 0.183 0.000 0.268 171 T C 1.759 176.497 174.700 0.064 0.000 1.037 171 T CA 1.342 63.449 62.100 0.011 0.000 1.144 171 T CB -0.172 68.710 68.868 0.023 0.000 0.864 171 T HN 0.111 nan 8.240 nan 0.000 0.444 172 R N 0.601 121.150 120.500 0.082 0.000 2.096 172 R HA -0.000 4.449 4.340 0.183 0.000 0.235 172 R C 2.715 179.081 176.300 0.110 0.000 1.127 172 R CA 1.108 57.277 56.100 0.115 0.000 0.968 172 R CB -0.201 30.189 30.300 0.149 0.000 0.861 172 R HN 0.368 nan 8.270 nan 0.000 0.440 173 R N -0.509 120.063 120.500 0.120 0.000 2.073 173 R HA -0.100 4.350 4.340 0.183 0.000 0.234 173 R C 2.162 178.503 176.300 0.070 0.000 1.134 173 R CA 1.372 57.496 56.100 0.040 0.000 0.952 173 R CB -0.378 29.995 30.300 0.122 0.000 0.850 173 R HN 0.459 nan 8.270 nan 0.000 0.433 174 H N 0.099 119.153 119.070 -0.027 0.000 2.421 174 H HA -0.062 4.604 4.556 0.184 0.000 0.298 174 H C 2.125 177.432 175.328 -0.036 0.000 1.087 174 H CA 1.073 57.105 56.048 -0.027 0.000 1.330 174 H CB 0.146 29.900 29.762 -0.013 0.000 1.388 174 H HN 0.150 nan 8.280 nan 0.000 0.526 175 L N -0.104 121.167 121.223 0.081 0.000 2.109 175 L HA -0.091 4.358 4.340 0.183 0.000 0.207 175 L C 2.895 179.744 176.870 -0.034 0.000 1.086 175 L CA 0.686 55.535 54.840 0.015 0.000 0.760 175 L CB -0.301 41.776 42.059 0.030 0.000 0.910 175 L HN 0.241 nan 8.230 nan 0.000 0.437 176 A N 0.099 122.887 122.820 -0.054 0.000 1.930 176 A HA -0.202 4.228 4.320 0.183 0.000 0.217 176 A C 2.186 179.754 177.584 -0.026 0.000 1.175 176 A CA 1.437 53.413 52.037 -0.102 0.000 0.627 176 A CB -0.576 18.266 19.000 -0.263 0.000 0.815 176 A HN 0.322 nan 8.150 nan 0.000 0.443 177 L N 0.070 121.276 121.223 -0.028 0.000 2.017 177 L HA -0.145 4.304 4.340 0.183 0.000 0.208 177 L C 2.124 179.006 176.870 0.020 0.000 1.073 177 L CA 2.340 57.187 54.840 0.012 0.000 0.745 177 L CB -0.646 41.368 42.059 -0.075 0.000 0.894 177 L HN 0.347 nan 8.230 nan 0.000 0.432 178 K N -0.332 120.050 120.400 -0.031 0.000 2.097 178 K HA -0.105 4.324 4.320 0.183 0.000 0.206 178 K C 2.092 178.683 176.600 -0.015 0.000 1.049 178 K CA 1.315 57.583 56.287 -0.032 0.000 0.933 178 K CB -0.428 32.031 32.500 -0.068 0.000 0.717 178 K HN 0.511 nan 8.250 nan 0.000 0.442 179 A N 1.036 123.817 122.820 -0.066 0.000 1.877 179 A HA -0.141 4.288 4.320 0.183 0.000 0.216 179 A C 1.911 179.460 177.584 -0.059 0.000 1.186 179 A CA 1.308 53.273 52.037 -0.119 0.000 0.620 179 A CB -0.689 18.163 19.000 -0.247 0.000 0.822 179 A HN 0.181 nan 8.150 nan 0.000 0.443 180 F N 0.737 120.701 119.950 0.022 0.000 2.293 180 F HA -0.078 4.559 4.527 0.183 0.000 0.300 180 F C 2.662 178.484 175.800 0.036 0.000 1.086 180 F CA 1.618 59.634 58.000 0.028 0.000 1.375 180 F CB -0.872 38.132 39.000 0.007 0.000 1.045 180 F HN 0.141 nan 8.300 nan 0.000 0.516 181 T N -2.124 112.551 114.554 0.202 0.000 2.821 181 T HA -0.225 4.235 4.350 0.183 0.000 0.267 181 T C 1.735 176.523 174.700 0.147 0.000 1.046 181 T CA 1.666 63.847 62.100 0.134 0.000 1.139 181 T CB -0.419 68.497 68.868 0.080 0.000 0.871 181 T HN 0.291 nan 8.240 nan 0.000 0.454 182 H N 1.214 120.303 119.070 0.032 0.000 2.353 182 H HA -0.076 4.590 4.556 0.183 0.000 0.300 182 H C 2.502 177.858 175.328 0.046 0.000 1.090 182 H CA 2.155 58.212 56.048 0.016 0.000 1.327 182 H CB -0.293 29.450 29.762 -0.032 0.000 1.383 182 H HN 0.427 nan 8.280 nan 0.000 0.508 183 T N -2.466 112.161 114.554 0.121 0.000 2.857 183 T HA 0.035 4.495 4.350 0.183 0.000 0.266 183 T C 2.256 177.020 174.700 0.108 0.000 1.048 183 T CA 0.888 63.037 62.100 0.082 0.000 1.139 183 T CB -0.675 68.257 68.868 0.106 0.000 0.874 183 T HN 0.367 nan 8.240 nan 0.000 0.455 184 A N 1.869 124.761 122.820 0.121 0.000 1.877 184 A HA -0.140 4.289 4.320 0.183 0.000 0.216 184 A C 2.492 180.103 177.584 0.045 0.000 1.186 184 A CA 1.731 53.817 52.037 0.081 0.000 0.620 184 A CB -0.928 18.121 19.000 0.081 0.000 0.822 184 A HN 0.640 nan 8.150 nan 0.000 0.443 185 Q N -2.220 117.606 119.800 0.043 0.000 2.124 185 Q HA -0.196 4.254 4.340 0.183 0.000 0.202 185 Q C 1.997 178.002 176.000 0.008 0.000 0.977 185 Q CA 1.702 57.515 55.803 0.018 0.000 0.850 185 Q CB -0.324 28.422 28.738 0.014 0.000 0.901 185 Q HN 0.809 nan 8.270 nan 0.000 0.429 186 Y N 1.888 122.105 120.300 -0.139 0.000 2.114 186 Y HA -0.245 4.415 4.550 0.183 0.000 0.284 186 Y C 1.639 177.419 175.900 -0.201 0.000 1.143 186 Y CA 1.876 59.875 58.100 -0.168 0.000 1.135 186 Y CB -0.068 38.274 38.460 -0.197 0.000 0.980 186 Y HN 0.082 nan 8.280 nan 0.000 0.499 187 D N -0.441 119.910 120.400 -0.081 0.000 2.269 187 D HA -0.069 4.680 4.640 0.183 0.000 0.208 187 D C 2.120 178.291 176.300 -0.216 0.000 0.963 187 D CA 1.066 54.939 54.000 -0.212 0.000 0.864 187 D CB -0.390 40.352 40.800 -0.097 0.000 0.936 187 D HN 0.455 nan 8.370 nan 0.000 0.505 188 A N 0.780 123.523 122.820 -0.129 0.000 1.898 188 A HA 0.035 4.464 4.320 0.183 0.000 0.216 188 A C 2.274 179.780 177.584 -0.130 0.000 1.181 188 A CA 1.746 53.722 52.037 -0.102 0.000 0.620 188 A CB -0.586 18.390 19.000 -0.041 0.000 0.819 188 A HN 0.216 nan 8.150 nan 0.000 0.442 189 A N 0.050 122.788 122.820 -0.136 0.000 1.930 189 A HA -0.052 4.377 4.320 0.183 0.000 0.217 189 A C 2.098 179.656 177.584 -0.044 0.000 1.175 189 A CA 1.446 53.450 52.037 -0.054 0.000 0.627 189 A CB -0.584 18.418 19.000 0.004 0.000 0.815 189 A HN 0.494 nan 8.150 nan 0.000 0.443 190 I N -0.383 119.933 120.570 -0.423 0.000 2.179 190 I HA -0.224 4.055 4.170 0.183 0.000 0.242 190 I C 2.677 178.570 176.117 -0.374 0.000 1.088 190 I CA 1.467 62.382 61.300 -0.643 0.000 1.357 190 I CB -0.388 36.964 38.000 -1.081 0.000 1.051 190 I HN 0.221 nan 8.210 nan 0.000 0.409 191 S N 0.248 115.749 115.700 -0.332 0.000 2.370 191 S HA -0.239 4.340 4.470 0.183 0.000 0.226 191 S C 1.695 176.234 174.600 -0.103 0.000 1.033 191 S CA 1.718 59.792 58.200 -0.210 0.000 1.011 191 S CB -0.345 62.753 63.200 -0.170 0.000 0.852 191 S HN 0.470 nan 8.310 nan 0.000 0.457 192 D N 0.143 120.477 120.400 -0.110 0.000 2.097 192 D HA -0.142 4.607 4.640 0.183 0.000 0.195 192 D C 1.761 178.080 176.300 0.031 0.000 0.989 192 D CA 1.117 55.041 54.000 -0.128 0.000 0.827 192 D CB -0.324 40.414 40.800 -0.102 0.000 0.966 192 D HN 0.428 nan 8.370 nan 0.000 0.456 193 Y N -0.022 120.296 120.300 0.029 0.000 2.181 193 Y HA -0.166 4.493 4.550 0.182 0.000 0.288 193 Y C 2.004 177.983 175.900 0.131 0.000 1.146 193 Y CA 1.416 59.583 58.100 0.111 0.000 1.164 193 Y CB -0.637 38.002 38.460 0.298 0.000 0.982 193 Y HN -0.089 nan 8.280 nan 0.000 0.515 194 F N 0.365 120.215 119.950 -0.167 0.000 2.216 194 F HA -0.121 4.515 4.527 0.182 0.000 0.300 194 F C 2.488 178.154 175.800 -0.222 0.000 1.085 194 F CA 1.358 59.171 58.000 -0.313 0.000 1.326 194 F CB -0.760 38.206 39.000 -0.056 0.000 1.027 194 F HN 0.008 nan 8.300 nan 0.000 0.497 195 R N 0.170 120.695 120.500 0.041 0.000 2.075 195 R HA -0.123 4.326 4.340 0.183 0.000 0.232 195 R C 2.124 178.389 176.300 -0.057 0.000 1.126 195 R CA 1.271 57.369 56.100 -0.003 0.000 0.963 195 R CB -0.217 30.052 30.300 -0.052 0.000 0.858 195 R HN 0.236 nan 8.270 nan 0.000 0.435 196 K N 0.060 120.396 120.400 -0.106 0.000 2.148 196 K HA -0.096 4.333 4.320 0.183 0.000 0.204 196 K C 1.846 178.329 176.600 -0.195 0.000 1.050 196 K CA 0.942 57.160 56.287 -0.116 0.000 0.942 196 K CB 0.157 32.607 32.500 -0.083 0.000 0.724 196 K HN 0.110 nan 8.250 nan 0.000 0.446 197 E N -0.389 119.575 120.200 -0.392 0.000 2.140 197 E HA -0.049 4.411 4.350 0.183 0.000 0.191 197 E C 1.323 177.763 176.600 -0.266 0.000 0.973 197 E CA 1.071 57.173 56.400 -0.497 0.000 0.829 197 E CB 0.191 29.280 29.700 -1.018 0.000 0.781 197 E HN 0.361 nan 8.360 nan 0.000 0.466 198 Y N -0.729 119.450 120.300 -0.201 0.000 2.442 198 Y HA 0.300 4.959 4.550 0.182 0.000 0.250 198 Y C 1.518 177.366 175.900 -0.086 0.000 1.113 198 Y CA -0.415 57.594 58.100 -0.152 0.000 1.273 198 Y CB 0.692 39.046 38.460 -0.176 0.000 1.138 198 Y HN -0.167 nan 8.280 nan 0.000 0.522 199 S N -0.056 115.687 115.700 0.072 0.000 2.941 199 S HA 0.168 4.748 4.470 0.183 0.000 0.251 199 S C 0.059 174.666 174.600 0.013 0.000 1.029 199 S CA -0.526 57.701 58.200 0.044 0.000 1.062 199 S CB -0.216 63.018 63.200 0.057 0.000 0.977 199 S HN 0.168 nan 8.310 nan 0.000 0.552 200 K N 0.731 121.130 120.400 -0.002 0.000 2.412 200 K HA 0.359 4.789 4.320 0.183 0.000 0.281 200 K C 1.152 177.745 176.600 -0.012 0.000 1.027 200 K CA 1.251 57.531 56.287 -0.012 0.000 0.989 200 K CB 0.015 32.503 32.500 -0.021 0.000 0.935 200 K HN 0.334 nan 8.250 nan 0.000 0.475 201 G N 2.082 110.872 108.800 -0.016 0.000 2.162 201 G HA2 -0.249 3.821 3.960 0.183 0.000 0.260 201 G HA3 -0.249 3.821 3.960 0.183 0.000 0.260 201 G C 0.353 175.239 174.900 -0.024 0.000 0.976 201 G CA 0.390 45.475 45.100 -0.024 0.000 0.655 201 G HN 0.465 nan 8.290 nan 0.000 0.533 202 V N 0.004 119.910 119.914 -0.014 0.000 3.444 202 V HA 0.293 4.523 4.120 0.183 0.000 0.210 202 V C 2.200 178.289 176.094 -0.008 0.000 1.217 202 V CA 2.058 64.351 62.300 -0.012 0.000 1.302 202 V CB 0.407 32.231 31.823 0.000 0.000 1.341 202 V HN 0.931 nan 8.190 nan 0.000 0.522 203 S N -1.239 114.469 115.700 0.013 0.000 2.603 203 S HA 0.272 4.852 4.470 0.183 0.000 0.232 203 S C 0.393 175.028 174.600 0.059 0.000 1.016 203 S CA -0.157 58.062 58.200 0.031 0.000 0.976 203 S CB 0.484 63.715 63.200 0.052 0.000 0.921 203 S HN 0.429 nan 8.310 nan 0.000 0.516 204 Q N 0.821 120.644 119.800 0.039 0.000 2.359 204 Q HA 0.540 4.990 4.340 0.183 0.000 0.274 204 Q C -2.228 173.784 176.000 0.020 0.000 1.074 204 Q CA -0.646 55.192 55.803 0.058 0.000 0.810 204 Q CB 2.334 31.096 28.738 0.039 0.000 1.342 204 Q HN 0.511 nan 8.270 nan 0.000 0.427 205 L N 5.150 126.387 121.223 0.024 0.000 2.446 205 L HA 0.525 4.975 4.340 0.183 0.000 0.268 205 L C -2.587 174.286 176.870 0.005 0.000 0.975 205 L CA -1.777 53.059 54.840 -0.007 0.000 0.848 205 L CB 2.497 44.532 42.059 -0.041 0.000 1.225 205 L HN 0.418 nan 8.230 nan 0.000 0.410 206 P HA 0.259 nan 4.420 nan 0.000 0.271 206 P C -1.105 176.194 177.300 -0.002 0.000 1.216 206 P CA 0.078 63.186 63.100 0.012 0.000 0.776 206 P CB 0.786 32.489 31.700 0.005 0.000 0.881 207 L N 2.893 124.124 121.223 0.013 0.000 2.354 207 L HA 0.454 4.903 4.340 0.183 0.000 0.269 207 L C 1.780 178.629 176.870 -0.034 0.000 1.005 207 L CA -0.886 53.944 54.840 -0.016 0.000 0.819 207 L CB 1.853 43.931 42.059 0.031 0.000 1.311 207 L HN 0.332 nan 8.230 nan 0.000 0.423 208 R N 1.223 121.644 120.500 -0.132 0.000 2.094 208 R HA -0.130 4.320 4.340 0.183 0.000 0.239 208 R C -0.518 175.781 176.300 -0.002 0.000 1.137 208 R CA 2.035 58.054 56.100 -0.134 0.000 0.943 208 R CB -0.150 29.949 30.300 -0.334 0.000 0.850 208 R HN 0.622 nan 8.270 nan 0.000 0.433 209 Y N -4.764 115.563 120.300 0.045 0.000 2.871 209 Y HA 0.563 5.220 4.550 0.180 0.000 0.331 209 Y C 0.294 176.201 175.900 0.011 0.000 1.378 209 Y CA -0.985 57.120 58.100 0.008 0.000 1.079 209 Y CB 0.144 38.592 38.460 -0.020 0.000 1.441 209 Y HN -0.070 nan 8.280 nan 0.000 0.446 210 G N 0.222 109.121 108.800 0.166 0.000 3.229 210 G HA2 0.205 4.274 3.960 0.183 0.000 0.165 210 G HA3 0.205 4.274 3.960 0.183 0.000 0.165 210 G C 0.553 175.331 174.900 -0.205 0.000 1.753 210 G CA 0.087 45.059 45.100 -0.213 0.000 1.054 210 G HN 0.693 nan 8.290 nan 0.000 0.544 211 M N 0.212 119.516 119.600 -0.493 0.000 2.213 211 M HA 0.087 4.677 4.480 0.183 0.000 0.263 211 M C 0.229 176.527 176.300 -0.004 0.000 1.062 211 M CA 1.031 56.208 55.300 -0.205 0.000 1.105 211 M CB -0.189 32.282 32.600 -0.215 0.000 1.385 211 M HN 0.290 nan 8.290 nan 0.000 0.417 212 N N -2.097 116.539 118.700 -0.107 0.000 2.416 212 N HA 0.260 5.110 4.740 0.183 0.000 0.276 212 N C -2.434 172.786 175.510 -0.484 0.000 1.261 212 N CA -1.221 51.732 53.050 -0.162 0.000 0.790 212 N CB 1.282 39.717 38.487 -0.086 0.000 1.554 212 N HN -0.288 nan 8.380 nan 0.000 0.481 213 P HA -0.190 nan 4.420 nan 0.000 0.217 213 P C 1.042 178.072 177.300 -0.449 0.000 1.151 213 P CA 1.556 63.970 63.100 -1.144 0.000 0.849 213 P CB -0.097 31.206 31.700 -0.662 0.000 0.787 214 H N -1.515 117.401 119.070 -0.256 0.000 2.556 214 H HA 0.104 4.771 4.556 0.185 0.000 0.268 214 H C 0.122 175.405 175.328 -0.075 0.000 0.996 214 H CA 0.366 56.338 56.048 -0.126 0.000 1.157 214 H CB -0.618 29.090 29.762 -0.091 0.000 1.355 214 H HN 0.232 nan 8.280 nan 0.000 0.597 215 Q N 2.101 121.619 119.800 -0.470 0.000 2.465 215 Q HA 0.333 4.783 4.340 0.183 0.000 0.237 215 Q C -0.563 175.382 176.000 -0.092 0.000 1.051 215 Q CA -0.530 55.090 55.803 -0.305 0.000 0.874 215 Q CB 1.360 29.856 28.738 -0.404 0.000 1.207 215 Q HN 0.475 nan 8.270 nan 0.000 0.508 216 S N 1.122 116.806 115.700 -0.026 0.000 2.564 216 S HA 0.787 5.367 4.470 0.183 0.000 0.274 216 S C -2.337 172.280 174.600 0.028 0.000 1.124 216 S CA -1.170 57.052 58.200 0.037 0.000 0.869 216 S CB 1.316 64.562 63.200 0.077 0.000 1.105 216 S HN 0.387 nan 8.310 nan 0.000 0.472 217 P HA 0.833 nan 4.420 nan 0.000 0.282 217 P C -0.944 176.401 177.300 0.075 0.000 1.287 217 P CA -0.620 62.517 63.100 0.061 0.000 0.792 217 P CB 0.854 32.587 31.700 0.055 0.000 1.163 218 A N -0.228 122.653 122.820 0.102 0.000 2.609 218 A HA 0.667 5.097 4.320 0.183 0.000 0.291 218 A C -1.361 176.314 177.584 0.151 0.000 1.096 218 A CA -0.528 51.604 52.037 0.157 0.000 0.684 218 A CB 1.829 20.958 19.000 0.215 0.000 1.282 218 A HN 0.797 nan 8.150 nan 0.000 0.412 219 Q N -0.375 119.535 119.800 0.184 0.000 2.687 219 Q HA 0.714 5.164 4.340 0.183 0.000 0.295 219 Q C -2.055 173.998 176.000 0.088 0.000 0.920 219 Q CA -0.879 55.001 55.803 0.130 0.000 0.766 219 Q CB 1.414 30.244 28.738 0.153 0.000 1.467 219 Q HN 1.214 nan 8.270 nan 0.000 0.415 220 L N 1.987 123.228 121.223 0.029 0.000 2.365 220 L HA 0.809 5.258 4.340 0.183 0.000 0.273 220 L C -1.741 175.158 176.870 0.047 0.000 1.000 220 L CA -0.340 54.457 54.840 -0.071 0.000 0.819 220 L CB 1.744 43.715 42.059 -0.147 0.000 1.284 220 L HN 0.760 nan 8.230 nan 0.000 0.418 221 Y N 0.972 121.239 120.300 -0.055 0.000 2.670 221 Y HA 0.832 5.502 4.550 0.200 0.000 0.334 221 Y C -1.140 174.739 175.900 -0.036 0.000 1.185 221 Y CA -0.871 57.206 58.100 -0.038 0.000 1.053 221 Y CB 1.339 39.792 38.460 -0.010 0.000 1.298 221 Y HN 0.698 nan 8.280 nan 0.000 0.459 222 T N -0.368 114.335 114.554 0.249 0.000 2.903 222 T HA 0.392 4.852 4.350 0.183 0.000 0.299 222 T C 0.306 175.157 174.700 0.252 0.000 1.093 222 T CA -0.034 62.158 62.100 0.153 0.000 1.002 222 T CB 1.326 70.220 68.868 0.044 0.000 1.127 222 T HN 1.068 nan 8.240 nan 0.000 0.488 223 T N 0.790 115.463 114.554 0.199 0.000 3.129 223 T HA 0.305 4.765 4.350 0.183 0.000 0.251 223 T C 0.883 175.642 174.700 0.099 0.000 1.117 223 T CA -0.058 62.132 62.100 0.151 0.000 1.034 223 T CB -0.098 68.849 68.868 0.132 0.000 0.968 223 T HN 0.469 nan 8.240 nan 0.000 0.526 224 R N 1.485 122.044 120.500 0.097 0.000 2.583 224 R HA 0.291 4.741 4.340 0.183 0.000 0.268 224 R C -1.670 174.669 176.300 0.064 0.000 1.101 224 R CA -1.968 54.180 56.100 0.079 0.000 1.180 224 R CB -0.098 30.260 30.300 0.098 0.000 1.128 224 R HN 0.000 nan 8.270 nan 0.000 0.568 225 P HA -0.101 nan 4.420 nan 0.000 0.220 225 P C -0.413 176.904 177.300 0.029 0.000 1.148 225 P CA 1.428 64.552 63.100 0.039 0.000 0.803 225 P CB 0.358 32.077 31.700 0.031 0.000 0.782 226 K N -0.901 119.511 120.400 0.021 0.000 2.523 226 K HA 0.331 4.761 4.320 0.183 0.000 0.257 226 K C -0.993 175.587 176.600 -0.034 0.000 0.932 226 K CA -0.793 55.492 56.287 -0.004 0.000 0.812 226 K CB 1.339 33.833 32.500 -0.011 0.000 1.326 226 K HN -0.172 nan 8.250 nan 0.000 0.433 227 L N 4.882 126.066 121.223 -0.065 0.000 2.461 227 L HA 0.182 4.631 4.340 0.183 0.000 0.272 227 L C -1.221 175.531 176.870 -0.197 0.000 1.197 227 L CA -1.081 53.676 54.840 -0.139 0.000 0.836 227 L CB 0.697 42.677 42.059 -0.132 0.000 1.105 227 L HN 0.637 nan 8.230 nan 0.000 0.477 228 P HA 0.011 nan 4.420 nan 0.000 0.245 228 P C -0.205 176.885 177.300 -0.349 0.000 1.206 228 P CA 0.305 63.179 63.100 -0.376 0.000 0.781 228 P CB 0.496 31.742 31.700 -0.756 0.000 0.994 229 L N 1.551 122.578 121.223 -0.326 0.000 2.305 229 L HA 0.457 4.907 4.340 0.183 0.000 0.284 229 L C -0.307 176.449 176.870 -0.191 0.000 1.013 229 L CA -0.319 54.350 54.840 -0.284 0.000 0.819 229 L CB 1.579 43.457 42.059 -0.302 0.000 1.227 229 L HN -0.162 nan 8.230 nan 0.000 0.417 230 T N 1.841 116.303 114.554 -0.153 0.000 2.856 230 T HA 0.653 5.113 4.350 0.183 0.000 0.283 230 T C -0.392 174.255 174.700 -0.089 0.000 1.008 230 T CA -0.811 61.226 62.100 -0.106 0.000 0.997 230 T CB 1.506 70.324 68.868 -0.083 0.000 0.992 230 T HN 0.270 nan 8.240 nan 0.000 0.454 231 V N 4.053 123.918 119.914 -0.081 0.000 2.408 231 V HA 0.145 4.375 4.120 0.183 0.000 0.267 231 V C 1.130 177.177 176.094 -0.080 0.000 1.047 231 V CA -0.276 61.976 62.300 -0.080 0.000 0.937 231 V CB 0.869 32.647 31.823 -0.075 0.000 0.999 231 V HN 0.940 nan 8.190 nan 0.000 0.472 232 V N 3.996 123.849 119.914 -0.100 0.000 2.949 232 V HA 0.169 4.399 4.120 0.183 0.000 0.245 232 V C 0.645 176.664 176.094 -0.125 0.000 1.086 232 V CA 0.804 63.034 62.300 -0.116 0.000 1.097 232 V CB -0.155 31.564 31.823 -0.174 0.000 0.762 232 V HN 0.918 nan 8.190 nan 0.000 0.470 233 N N -1.566 117.051 118.700 -0.139 0.000 2.405 233 N HA 0.538 5.387 4.740 0.183 0.000 0.274 233 N C -0.124 175.319 175.510 -0.112 0.000 1.170 233 N CA 0.660 53.641 53.050 -0.116 0.000 0.848 233 N CB 1.968 40.381 38.487 -0.123 0.000 1.629 233 N HN 0.395 nan 8.380 nan 0.000 0.481 234 G N 0.699 109.453 108.800 -0.077 0.000 2.598 234 G HA2 -0.103 3.967 3.960 0.183 0.000 0.244 234 G HA3 -0.103 3.967 3.960 0.183 0.000 0.244 234 G C -1.296 173.564 174.900 -0.066 0.000 1.302 234 G CA -0.013 45.045 45.100 -0.069 0.000 0.903 234 G HN 1.013 nan 8.290 nan 0.000 0.575 235 S N 1.769 117.432 115.700 -0.062 0.000 2.720 235 S HA 0.629 5.208 4.470 0.183 0.000 0.278 235 S C -2.547 172.019 174.600 -0.056 0.000 1.172 235 S CA -0.360 57.804 58.200 -0.059 0.000 1.019 235 S CB 2.707 65.876 63.200 -0.052 0.000 1.049 235 S HN 0.869 nan 8.310 nan 0.000 0.483 236 P HA 0.413 nan 4.420 nan 0.000 0.279 236 P C 0.217 177.470 177.300 -0.077 0.000 1.239 236 P CA -0.140 62.932 63.100 -0.046 0.000 0.789 236 P CB 0.803 32.464 31.700 -0.066 0.000 0.933 237 G N 0.711 109.472 108.800 -0.065 0.000 2.531 237 G HA2 0.237 4.307 3.960 0.183 0.000 0.313 237 G HA3 0.237 4.307 3.960 0.183 0.000 0.313 237 G C 0.220 175.102 174.900 -0.031 0.000 1.238 237 G CA -0.715 44.334 45.100 -0.084 0.000 0.994 237 G HN 0.399 nan 8.290 nan 0.000 0.493 238 F N -0.117 119.767 119.950 -0.111 0.000 2.046 238 F HA -0.089 4.546 4.527 0.181 0.000 0.297 238 F C 2.556 178.324 175.800 -0.054 0.000 1.123 238 F CA 1.626 59.588 58.000 -0.063 0.000 1.199 238 F CB -0.106 38.888 39.000 -0.011 0.000 0.972 238 F HN 0.248 nan 8.300 nan 0.000 0.474 239 I N 0.178 120.919 120.570 0.285 0.000 2.286 239 I HA -0.341 3.939 4.170 0.183 0.000 0.248 239 I C 1.952 178.056 176.117 -0.021 0.000 1.115 239 I CA 1.637 63.038 61.300 0.167 0.000 1.392 239 I CB -0.747 37.361 38.000 0.179 0.000 1.065 239 I HN 0.268 nan 8.210 nan 0.000 0.418 240 N N 0.863 119.529 118.700 -0.055 0.000 2.094 240 N HA -0.203 4.647 4.740 0.183 0.000 0.191 240 N C 1.878 177.058 175.510 -0.550 0.000 1.023 240 N CA 1.163 54.085 53.050 -0.215 0.000 0.857 240 N CB -0.136 38.309 38.487 -0.068 0.000 1.013 240 N HN 0.284 nan 8.380 nan 0.000 0.426 241 L N 0.135 121.120 121.223 -0.396 0.000 2.156 241 L HA -0.120 4.330 4.340 0.183 0.000 0.208 241 L C 2.287 178.923 176.870 -0.390 0.000 1.095 241 L CA 0.538 55.113 54.840 -0.442 0.000 0.770 241 L CB -0.352 41.468 42.059 -0.398 0.000 0.914 241 L HN 0.380 nan 8.230 nan 0.000 0.439 242 C N -0.239 118.885 119.300 -0.293 0.000 2.425 242 C HA -0.150 4.419 4.460 0.183 0.000 0.277 242 C C 2.447 177.345 174.990 -0.153 0.000 1.280 242 C CA 0.498 59.420 59.018 -0.159 0.000 1.744 242 C CB -0.687 27.048 27.740 -0.007 0.000 1.989 242 C HN 0.544 nan 8.230 nan 0.000 0.491 243 D N 0.860 121.134 120.400 -0.209 0.000 2.103 243 D HA -0.051 4.698 4.640 0.183 0.000 0.199 243 D C 2.367 178.338 176.300 -0.547 0.000 0.978 243 D CA 1.640 55.507 54.000 -0.222 0.000 0.829 243 D CB -0.528 40.241 40.800 -0.051 0.000 0.981 243 D HN 0.461 nan 8.370 nan 0.000 0.464 244 A N 1.089 123.449 122.820 -0.767 0.000 1.883 244 A HA -0.151 4.278 4.320 0.183 0.000 0.217 244 A C 2.427 179.810 177.584 -0.335 0.000 1.186 244 A CA 1.097 52.741 52.037 -0.654 0.000 0.624 244 A CB -0.861 17.632 19.000 -0.844 0.000 0.822 244 A HN 0.204 nan 8.150 nan 0.000 0.444 245 L N -0.524 120.518 121.223 -0.301 0.000 2.156 245 L HA -0.136 4.314 4.340 0.183 0.000 0.208 245 L C 2.286 179.065 176.870 -0.151 0.000 1.095 245 L CA 0.928 55.676 54.840 -0.154 0.000 0.770 245 L CB -0.517 41.458 42.059 -0.140 0.000 0.914 245 L HN 0.424 nan 8.230 nan 0.000 0.439 246 N N 0.168 118.705 118.700 -0.272 0.000 2.207 246 N HA -0.054 4.796 4.740 0.183 0.000 0.182 246 N C 1.923 177.024 175.510 -0.683 0.000 1.020 246 N CA 1.299 54.157 53.050 -0.319 0.000 0.858 246 N CB 0.042 38.498 38.487 -0.052 0.000 0.991 246 N HN 0.247 nan 8.380 nan 0.000 0.427 247 A N 1.323 123.542 122.820 -1.002 0.000 1.969 247 A HA -0.147 4.282 4.320 0.183 0.000 0.218 247 A C 1.993 179.383 177.584 -0.324 0.000 1.169 247 A CA 0.759 52.275 52.037 -0.867 0.000 0.635 247 A CB -0.990 17.563 19.000 -0.745 0.000 0.810 247 A HN 0.591 nan 8.150 nan 0.000 0.445 248 W N 0.709 121.796 121.300 -0.355 0.000 2.381 248 W HA -0.205 4.552 4.660 0.161 0.000 0.301 248 W C 1.984 178.353 176.519 -0.250 0.000 1.205 248 W CA 1.819 59.031 57.345 -0.223 0.000 1.285 248 W CB -0.297 29.056 29.460 -0.179 0.000 1.133 248 W HN 0.498 nan 8.180 nan 0.000 0.521 249 Q N 0.735 120.228 119.800 -0.512 0.000 2.050 249 Q HA -0.254 4.196 4.340 0.183 0.000 0.202 249 Q C 2.511 178.072 176.000 -0.731 0.000 0.980 249 Q CA 2.010 57.421 55.803 -0.654 0.000 0.840 249 Q CB -0.683 27.651 28.738 -0.673 0.000 0.898 249 Q HN 0.379 nan 8.270 nan 0.000 0.424 250 L N 0.754 121.478 121.223 -0.832 0.000 1.971 250 L HA -0.221 4.229 4.340 0.183 0.000 0.215 250 L C 2.426 179.133 176.870 -0.273 0.000 1.072 250 L CA 1.767 56.351 54.840 -0.426 0.000 0.758 250 L CB -0.413 41.558 42.059 -0.146 0.000 0.889 250 L HN 0.255 nan 8.230 nan 0.000 0.433 251 V N -2.517 117.212 119.914 -0.308 0.000 2.515 251 V HA -0.264 3.966 4.120 0.183 0.000 0.250 251 V C 2.487 178.338 176.094 -0.406 0.000 1.058 251 V CA 2.070 64.205 62.300 -0.276 0.000 1.064 251 V CB -0.926 30.774 31.823 -0.206 0.000 0.675 251 V HN 0.524 nan 8.190 nan 0.000 0.461 252 K N 0.506 120.492 120.400 -0.691 0.000 2.057 252 K HA -0.200 4.230 4.320 0.183 0.000 0.207 252 K C 2.211 178.618 176.600 -0.322 0.000 1.049 252 K CA 2.027 57.925 56.287 -0.648 0.000 0.931 252 K CB -0.207 31.762 32.500 -0.885 0.000 0.714 252 K HN 0.667 nan 8.250 nan 0.000 0.440 253 E N 0.494 120.536 120.200 -0.264 0.000 2.150 253 E HA -0.136 4.324 4.350 0.183 0.000 0.193 253 E C 2.060 178.608 176.600 -0.086 0.000 0.985 253 E CA 0.816 57.140 56.400 -0.126 0.000 0.814 253 E CB 0.043 29.715 29.700 -0.047 0.000 0.752 253 E HN 0.296 nan 8.360 nan 0.000 0.466 254 L N 0.999 122.167 121.223 -0.092 0.000 2.027 254 L HA -0.180 4.270 4.340 0.183 0.000 0.206 254 L C 2.656 179.494 176.870 -0.055 0.000 1.074 254 L CA 1.167 55.978 54.840 -0.049 0.000 0.745 254 L CB -0.324 41.714 42.059 -0.036 0.000 0.898 254 L HN 0.056 nan 8.230 nan 0.000 0.433 255 K N 0.071 120.419 120.400 -0.087 0.000 2.097 255 K HA -0.215 4.215 4.320 0.183 0.000 0.206 255 K C 2.065 178.632 176.600 -0.056 0.000 1.049 255 K CA 1.430 57.676 56.287 -0.069 0.000 0.933 255 K CB 0.029 32.475 32.500 -0.091 0.000 0.717 255 K HN 0.382 nan 8.250 nan 0.000 0.442 256 Q N -0.332 119.426 119.800 -0.071 0.000 2.084 256 Q HA -0.116 4.334 4.340 0.183 0.000 0.202 256 Q C 2.076 178.053 176.000 -0.039 0.000 0.978 256 Q CA 1.524 57.295 55.803 -0.053 0.000 0.844 256 Q CB -0.093 28.609 28.738 -0.061 0.000 0.898 256 Q HN 0.399 nan 8.270 nan 0.000 0.426 257 A N 0.215 123.012 122.820 -0.038 0.000 1.968 257 A HA -0.039 4.390 4.320 0.183 0.000 0.217 257 A C 1.778 179.354 177.584 -0.015 0.000 1.169 257 A CA 0.978 52.998 52.037 -0.027 0.000 0.638 257 A CB -0.041 18.945 19.000 -0.023 0.000 0.812 257 A HN 0.282 nan 8.150 nan 0.000 0.446 258 L N -2.548 118.667 121.223 -0.012 0.000 2.781 258 L HA 0.305 4.755 4.340 0.183 0.000 0.245 258 L C 1.545 178.412 176.870 -0.005 0.000 1.118 258 L CA 0.454 55.292 54.840 -0.004 0.000 0.918 258 L CB 0.241 42.302 42.059 0.004 0.000 1.246 258 L HN 0.497 nan 8.230 nan 0.000 0.526 259 G N 1.720 110.514 108.800 -0.011 0.000 2.153 259 G HA2 -0.286 3.784 3.960 0.183 0.000 0.252 259 G HA3 -0.286 3.784 3.960 0.183 0.000 0.252 259 G C 0.063 174.962 174.900 -0.002 0.000 0.994 259 G CA 0.310 45.405 45.100 -0.008 0.000 0.698 259 G HN 0.305 nan 8.290 nan 0.000 0.521 260 I N 0.554 121.124 120.570 -0.001 0.000 2.474 260 I HA 0.363 4.643 4.170 0.183 0.000 0.294 260 I C -2.133 173.988 176.117 0.007 0.000 1.005 260 I CA -2.786 58.518 61.300 0.008 0.000 1.113 260 I CB 2.163 40.172 38.000 0.015 0.000 1.289 260 I HN -0.210 nan 8.210 nan 0.000 0.436 261 P HA 0.035 nan 4.420 nan 0.000 0.263 261 P C -0.977 176.337 177.300 0.024 0.000 1.175 261 P CA 0.199 63.309 63.100 0.017 0.000 0.761 261 P CB 0.520 32.237 31.700 0.029 0.000 0.794 262 A N 2.141 124.970 122.820 0.015 0.000 2.469 262 A HA 0.877 5.307 4.320 0.183 0.000 0.299 262 A C -1.045 176.572 177.584 0.055 0.000 1.098 262 A CA -0.332 51.721 52.037 0.027 0.000 0.737 262 A CB 1.863 20.858 19.000 -0.010 0.000 1.312 262 A HN 0.536 nan 8.150 nan 0.000 0.414 263 A N -0.332 122.548 122.820 0.100 0.000 2.566 263 A HA 1.014 5.443 4.320 0.183 0.000 0.292 263 A C -0.514 177.189 177.584 0.197 0.000 1.112 263 A CA -0.101 52.038 52.037 0.171 0.000 0.707 263 A CB 1.458 20.625 19.000 0.278 0.000 1.302 263 A HN 2.619 nan 8.150 nan 0.000 0.409 264 A N -0.223 122.760 122.820 0.273 0.000 2.574 264 A HA 0.773 5.202 4.320 0.183 0.000 0.297 264 A C -0.644 177.196 177.584 0.427 0.000 1.062 264 A CA 0.142 52.371 52.037 0.321 0.000 0.686 264 A CB 1.422 20.635 19.000 0.354 0.000 1.285 264 A HN 1.863 nan 8.150 nan 0.000 0.403 265 S N 1.412 117.346 115.700 0.390 0.000 2.566 265 S HA 0.714 5.294 4.470 0.183 0.000 0.324 265 S C -1.324 173.484 174.600 0.345 0.000 1.081 265 S CA -0.268 58.170 58.200 0.397 0.000 1.105 265 S CB -0.304 63.063 63.200 0.278 0.000 0.981 265 S HN 0.449 nan 8.310 nan 0.000 0.464 266 F N 3.430 123.516 119.950 0.227 0.000 2.425 266 F HA 0.737 5.357 4.527 0.155 0.000 0.331 266 F C 0.288 176.206 175.800 0.197 0.000 1.085 266 F CA -0.561 57.562 58.000 0.205 0.000 1.028 266 F CB 1.784 40.906 39.000 0.204 0.000 1.177 266 F HN 0.469 nan 8.300 nan 0.000 0.487 267 K N 1.557 122.072 120.400 0.191 0.000 2.565 267 K HA 0.295 4.725 4.320 0.183 0.000 0.251 267 K C -0.726 175.991 176.600 0.194 0.000 0.956 267 K CA -0.440 55.955 56.287 0.180 0.000 0.809 267 K CB 0.348 32.956 32.500 0.180 0.000 1.267 267 K HN 0.579 nan 8.250 nan 0.000 0.438 268 H N 3.140 122.334 119.070 0.207 0.000 2.655 268 H HA -0.146 4.515 4.556 0.175 0.000 0.313 268 H C -0.217 175.228 175.328 0.195 0.000 1.141 268 H CA 1.290 57.447 56.048 0.181 0.000 1.138 268 H CB -1.269 28.575 29.762 0.138 0.000 1.446 268 H HN 0.667 nan 8.280 nan 0.000 0.415 269 V N -1.803 118.318 119.914 0.345 0.000 4.349 269 V HA -0.300 3.929 4.120 0.183 0.000 0.247 269 V C 0.654 176.992 176.094 0.405 0.000 0.442 269 V CA 1.563 64.131 62.300 0.447 0.000 0.865 269 V CB -1.929 30.086 31.823 0.321 0.000 0.887 269 V HN 0.578 nan 8.190 nan 0.000 1.302 270 S N 0.220 115.940 115.700 0.033 0.000 2.564 270 S HA 0.710 5.290 4.470 0.183 0.000 0.274 270 S C -2.835 171.147 174.600 -1.030 0.000 1.124 270 S CA -0.919 57.101 58.200 -0.300 0.000 0.869 270 S CB 3.333 66.500 63.200 -0.055 0.000 1.105 270 S HN 0.276 nan 8.310 nan 0.000 0.472 271 P HA 0.316 nan 4.420 nan 0.000 0.287 271 P C -0.135 176.995 177.300 -0.283 0.000 1.281 271 P CA -0.291 62.303 63.100 -0.843 0.000 0.781 271 P CB 1.197 32.669 31.700 -0.379 0.000 0.903 272 A N 3.474 126.209 122.820 -0.142 0.000 2.016 272 A HA 0.385 4.814 4.320 0.183 0.000 0.217 272 A C 1.092 178.685 177.584 0.015 0.000 1.162 272 A CA 1.395 53.426 52.037 -0.010 0.000 0.662 272 A CB -0.655 18.381 19.000 0.061 0.000 0.812 272 A HN 0.675 nan 8.150 nan 0.000 0.450 273 G N -3.089 105.723 108.800 0.020 0.000 2.601 273 G HA2 0.684 4.753 3.960 0.183 0.000 0.291 273 G HA3 0.684 4.753 3.960 0.183 0.000 0.291 273 G C -1.247 173.696 174.900 0.072 0.000 1.456 273 G CA 0.138 45.260 45.100 0.036 0.000 0.804 273 G HN 1.277 nan 8.290 nan 0.000 0.499 274 A N -1.096 121.763 122.820 0.065 0.000 2.599 274 A HA 1.128 5.558 4.320 0.183 0.000 0.294 274 A C -0.476 177.146 177.584 0.064 0.000 1.055 274 A CA 0.348 52.443 52.037 0.097 0.000 0.683 274 A CB 1.201 20.269 19.000 0.114 0.000 1.278 274 A HN 2.699 nan 8.150 nan 0.000 0.412 275 A N -0.279 122.585 122.820 0.073 0.000 2.544 275 A HA 0.803 5.233 4.320 0.183 0.000 0.291 275 A C -0.712 176.907 177.584 0.058 0.000 1.055 275 A CA 0.078 52.148 52.037 0.056 0.000 0.651 275 A CB 0.142 19.176 19.000 0.056 0.000 1.296 275 A HN 2.336 nan 8.150 nan 0.000 0.431 276 V N -1.395 118.548 119.914 0.048 0.000 2.975 276 V HA 0.851 5.080 4.120 0.183 0.000 0.318 276 V C 0.870 176.998 176.094 0.057 0.000 1.077 276 V CA -0.113 62.213 62.300 0.044 0.000 1.000 276 V CB 1.482 33.323 31.823 0.030 0.000 1.066 276 V HN 1.911 nan 8.190 nan 0.000 0.452 277 G N 2.833 111.667 108.800 0.057 0.000 3.180 277 G HA2 0.277 4.347 3.960 0.183 0.000 0.252 277 G HA3 0.277 4.347 3.960 0.183 0.000 0.252 277 G C 0.148 175.088 174.900 0.066 0.000 0.871 277 G CA -0.235 44.905 45.100 0.067 0.000 1.979 277 G HN 0.483 nan 8.290 nan 0.000 0.624 278 I N 2.472 123.086 120.570 0.073 0.000 2.471 278 I HA 0.174 4.454 4.170 0.183 0.000 0.286 278 I C -1.612 174.564 176.117 0.098 0.000 1.079 278 I CA -3.315 58.031 61.300 0.076 0.000 1.398 278 I CB 0.721 38.768 38.000 0.078 0.000 1.403 278 I HN 0.173 nan 8.210 nan 0.000 0.530 279 P HA 0.037 nan 4.420 nan 0.000 0.265 279 P C -0.639 176.761 177.300 0.165 0.000 1.187 279 P CA -0.269 62.902 63.100 0.118 0.000 0.766 279 P CB 0.656 32.409 31.700 0.088 0.000 0.820 280 L N 2.399 123.757 121.223 0.226 0.000 2.350 280 L HA 0.233 4.682 4.340 0.183 0.000 0.275 280 L C 1.379 178.433 176.870 0.306 0.000 1.099 280 L CA 0.187 55.167 54.840 0.233 0.000 0.808 280 L CB 0.647 42.801 42.059 0.159 0.000 1.149 280 L HN 0.450 nan 8.230 nan 0.000 0.442 281 S N 0.644 116.462 115.700 0.198 0.000 2.624 281 S HA 0.141 4.721 4.470 0.183 0.000 0.263 281 S C 1.027 175.668 174.600 0.068 0.000 1.287 281 S CA -0.185 58.131 58.200 0.193 0.000 0.990 281 S CB 0.721 64.022 63.200 0.168 0.000 0.950 281 S HN 0.670 nan 8.310 nan 0.000 0.561 282 E N 0.616 120.899 120.200 0.137 0.000 2.118 282 E HA -0.195 4.265 4.350 0.183 0.000 0.195 282 E C 1.750 178.350 176.600 0.001 0.000 0.992 282 E CA 1.893 58.316 56.400 0.038 0.000 0.804 282 E CB -0.244 29.568 29.700 0.186 0.000 0.741 282 E HN 0.781 nan 8.360 nan 0.000 0.458 283 E N -0.183 120.035 120.200 0.030 0.000 2.072 283 E HA -0.192 4.267 4.350 0.183 0.000 0.190 283 E C 2.011 178.572 176.600 -0.066 0.000 0.982 283 E CA 1.128 57.522 56.400 -0.011 0.000 0.803 283 E CB -0.089 29.635 29.700 0.040 0.000 0.755 283 E HN 0.206 nan 8.360 nan 0.000 0.453 284 E N 1.156 121.357 120.200 0.002 0.000 2.153 284 E HA -0.124 4.335 4.350 0.183 0.000 0.194 284 E C 1.803 178.368 176.600 -0.058 0.000 0.988 284 E CA 1.148 57.557 56.400 0.015 0.000 0.811 284 E CB -0.167 29.634 29.700 0.169 0.000 0.746 284 E HN 0.241 nan 8.360 nan 0.000 0.466 285 A N 0.307 123.038 122.820 -0.149 0.000 1.933 285 A HA -0.235 4.194 4.320 0.183 0.000 0.218 285 A C 2.103 179.652 177.584 -0.059 0.000 1.175 285 A CA 1.639 53.565 52.037 -0.185 0.000 0.628 285 A CB -0.484 18.191 19.000 -0.541 0.000 0.814 285 A HN 0.332 nan 8.150 nan 0.000 0.444 286 Q N -0.526 119.243 119.800 -0.051 0.000 2.050 286 Q HA -0.117 4.333 4.340 0.183 0.000 0.202 286 Q C 2.164 178.091 176.000 -0.121 0.000 0.980 286 Q CA 1.656 57.409 55.803 -0.082 0.000 0.840 286 Q CB -0.384 28.258 28.738 -0.161 0.000 0.898 286 Q HN 0.486 nan 8.270 nan 0.000 0.424 287 V N 0.249 120.048 119.914 -0.192 0.000 2.332 287 V HA -0.270 3.959 4.120 0.183 0.000 0.248 287 V C 1.936 177.968 176.094 -0.104 0.000 1.055 287 V CA 1.339 63.493 62.300 -0.243 0.000 1.038 287 V CB -0.317 31.190 31.823 -0.527 0.000 0.651 287 V HN 0.474 nan 8.190 nan 0.000 0.450 288 C N 0.662 119.933 119.300 -0.048 0.000 2.578 288 C HA 0.244 4.814 4.460 0.183 0.000 0.285 288 C C 1.309 176.292 174.990 -0.012 0.000 1.297 288 C CA -0.564 58.455 59.018 0.001 0.000 1.690 288 C CB -1.390 26.367 27.740 0.030 0.000 1.773 288 C HN 0.664 nan 8.230 nan 0.000 0.594 289 M N -0.457 119.127 119.600 -0.027 0.000 2.461 289 M HA -0.138 4.452 4.480 0.183 0.000 0.203 289 M C 0.458 176.759 176.300 0.001 0.000 0.428 289 M CA 0.873 56.159 55.300 -0.023 0.000 0.509 289 M CB -2.455 30.127 32.600 -0.030 0.000 1.851 289 M HN 0.464 nan 8.290 nan 0.000 0.834 290 V N -4.217 115.706 119.914 0.016 0.000 3.017 290 V HA 0.233 4.462 4.120 0.183 0.000 0.354 290 V C 1.692 177.806 176.094 0.033 0.000 1.389 290 V CA 0.292 62.609 62.300 0.029 0.000 1.163 290 V CB 0.036 31.881 31.823 0.036 0.000 1.178 290 V HN 0.596 nan 8.190 nan 0.000 0.547 291 H N 3.194 122.237 119.070 -0.045 0.000 2.352 291 H HA -0.174 4.492 4.556 0.182 0.000 0.299 291 H C 1.863 177.207 175.328 0.026 0.000 1.097 291 H CA 2.548 58.569 56.048 -0.044 0.000 1.311 291 H CB 0.105 29.829 29.762 -0.064 0.000 1.377 291 H HN 0.776 nan 8.280 nan 0.000 0.504 292 D N 0.486 120.906 120.400 0.032 0.000 2.264 292 D HA -0.130 4.620 4.640 0.183 0.000 0.208 292 D C 1.902 178.191 176.300 -0.017 0.000 0.966 292 D CA 0.577 54.580 54.000 0.005 0.000 0.864 292 D CB -0.501 40.322 40.800 0.040 0.000 0.933 292 D HN 0.432 nan 8.370 nan 0.000 0.499 293 L N -0.604 120.621 121.223 0.004 0.000 2.640 293 L HA 0.137 4.587 4.340 0.183 0.000 0.230 293 L C 2.322 179.226 176.870 0.057 0.000 1.123 293 L CA -0.270 54.584 54.840 0.024 0.000 0.900 293 L CB -0.448 41.633 42.059 0.038 0.000 1.146 293 L HN 0.082 nan 8.230 nan 0.000 0.484 294 H N 1.831 120.843 119.070 -0.097 0.000 2.325 294 H HA -0.239 4.427 4.556 0.182 0.000 0.293 294 H C 1.625 176.921 175.328 -0.053 0.000 1.106 294 H CA 1.754 57.751 56.048 -0.086 0.000 1.247 294 H CB 0.384 30.045 29.762 -0.170 0.000 1.359 294 H HN 0.283 nan 8.280 nan 0.000 0.488 295 K N -0.258 120.092 120.400 -0.083 0.000 2.439 295 K HA -0.055 4.375 4.320 0.183 0.000 0.197 295 K C 1.859 178.414 176.600 -0.074 0.000 1.041 295 K CA 1.275 57.478 56.287 -0.140 0.000 0.970 295 K CB 0.201 32.642 32.500 -0.098 0.000 0.773 295 K HN 0.450 nan 8.250 nan 0.000 0.479 296 T N -1.789 112.748 114.554 -0.028 0.000 3.040 296 T HA 0.187 4.647 4.350 0.183 0.000 0.250 296 T C 0.626 175.333 174.700 0.011 0.000 1.058 296 T CA -0.353 61.743 62.100 -0.007 0.000 0.988 296 T CB -0.059 68.812 68.868 0.006 0.000 0.993 296 T HN -0.064 nan 8.240 nan 0.000 0.519 297 L N 3.896 125.133 121.223 0.024 0.000 2.462 297 L HA 0.314 4.764 4.340 0.183 0.000 0.272 297 L C 1.063 177.956 176.870 0.038 0.000 1.166 297 L CA -0.491 54.380 54.840 0.053 0.000 0.880 297 L CB 0.311 42.431 42.059 0.101 0.000 1.142 297 L HN 0.349 nan 8.230 nan 0.000 0.473 298 T N -0.012 114.570 114.554 0.047 0.000 2.897 298 T HA 0.336 4.796 4.350 0.183 0.000 0.278 298 T C -1.931 172.801 174.700 0.053 0.000 0.981 298 T CA -1.896 60.228 62.100 0.040 0.000 0.973 298 T CB 1.510 70.400 68.868 0.037 0.000 1.092 298 T HN 0.262 nan 8.240 nan 0.000 0.543 299 P HA -0.043 nan 4.420 nan 0.000 0.215 299 P C 1.681 179.021 177.300 0.067 0.000 1.153 299 P CA 0.376 63.508 63.100 0.053 0.000 0.853 299 P CB -0.054 31.670 31.700 0.040 0.000 0.788 300 L N -0.501 120.759 121.223 0.063 0.000 2.083 300 L HA -0.095 4.354 4.340 0.183 0.000 0.209 300 L C 2.185 179.125 176.870 0.116 0.000 1.083 300 L CA 1.964 56.851 54.840 0.078 0.000 0.752 300 L CB -1.424 40.670 42.059 0.058 0.000 0.899 300 L HN -0.129 nan 8.230 nan 0.000 0.433 301 A N -1.681 121.204 122.820 0.109 0.000 1.930 301 A HA -0.162 4.268 4.320 0.183 0.000 0.217 301 A C 2.386 180.058 177.584 0.146 0.000 1.175 301 A CA 1.841 53.962 52.037 0.139 0.000 0.627 301 A CB -0.852 18.212 19.000 0.107 0.000 0.815 301 A HN 0.500 nan 8.150 nan 0.000 0.443 302 S N -0.099 115.672 115.700 0.119 0.000 2.382 302 S HA -0.038 4.542 4.470 0.183 0.000 0.228 302 S C 2.293 176.961 174.600 0.112 0.000 1.027 302 S CA 1.138 59.407 58.200 0.116 0.000 0.991 302 S CB -0.428 62.838 63.200 0.110 0.000 0.823 302 S HN 0.789 nan 8.310 nan 0.000 0.469 303 A N 0.405 123.297 122.820 0.118 0.000 1.902 303 A HA -0.123 4.307 4.320 0.183 0.000 0.217 303 A C 1.993 179.665 177.584 0.146 0.000 1.181 303 A CA 1.539 53.648 52.037 0.119 0.000 0.623 303 A CB -0.857 18.211 19.000 0.114 0.000 0.818 303 A HN 0.569 nan 8.150 nan 0.000 0.443 304 Y N 0.535 120.882 120.300 0.079 0.000 2.263 304 Y HA 0.057 4.715 4.550 0.179 0.000 0.292 304 Y C 2.629 178.585 175.900 0.093 0.000 1.130 304 Y CA 0.680 58.831 58.100 0.086 0.000 1.179 304 Y CB -0.663 37.844 38.460 0.078 0.000 0.998 304 Y HN 0.305 nan 8.280 nan 0.000 0.532 305 A N 0.724 123.491 122.820 -0.089 0.000 1.908 305 A HA -0.228 4.201 4.320 0.183 0.000 0.218 305 A C 2.361 179.891 177.584 -0.089 0.000 1.181 305 A CA 2.011 53.979 52.037 -0.115 0.000 0.627 305 A CB -0.607 18.407 19.000 0.024 0.000 0.818 305 A HN 0.519 nan 8.150 nan 0.000 0.445 306 R N -0.429 120.071 120.500 -0.001 0.000 2.092 306 R HA -0.049 4.401 4.340 0.183 0.000 0.231 306 R C 2.517 178.826 176.300 0.016 0.000 1.119 306 R CA 1.438 57.576 56.100 0.063 0.000 0.970 306 R CB -0.348 30.010 30.300 0.097 0.000 0.864 306 R HN 0.527 nan 8.270 nan 0.000 0.440 307 S N 0.626 116.299 115.700 -0.046 0.000 2.356 307 S HA -0.126 4.454 4.470 0.183 0.000 0.223 307 S C 1.856 176.406 174.600 -0.084 0.000 1.032 307 S CA 1.008 59.193 58.200 -0.026 0.000 1.005 307 S CB -0.156 63.081 63.200 0.061 0.000 0.867 307 S HN 0.300 nan 8.310 nan 0.000 0.449 308 R N 0.725 121.042 120.500 -0.305 0.000 2.189 308 R HA -0.008 4.442 4.340 0.183 0.000 0.218 308 R C 2.202 178.476 176.300 -0.044 0.000 1.074 308 R CA 0.841 56.810 56.100 -0.219 0.000 0.991 308 R CB -0.403 29.630 30.300 -0.445 0.000 0.883 308 R HN 0.451 nan 8.270 nan 0.000 0.457 309 G N -0.413 108.384 108.800 -0.006 0.000 2.598 309 G HA2 -0.153 3.916 3.960 0.183 0.000 0.215 309 G HA3 -0.153 3.916 3.960 0.183 0.000 0.215 309 G C 1.334 176.389 174.900 0.258 0.000 1.131 309 G CA 0.558 45.737 45.100 0.132 0.000 0.785 309 G HN 0.392 nan 8.290 nan 0.000 0.539 310 A N -0.129 122.794 122.820 0.172 0.000 1.858 310 A HA 0.026 4.455 4.320 0.183 0.000 0.216 310 A C 1.223 178.940 177.584 0.221 0.000 1.190 310 A CA 1.494 53.631 52.037 0.166 0.000 0.617 310 A CB 0.011 19.036 19.000 0.043 0.000 0.827 310 A HN 0.292 nan 8.150 nan 0.000 0.443 311 D N -1.817 118.678 120.400 0.159 0.000 2.328 311 D HA 0.213 4.963 4.640 0.183 0.000 0.243 311 D C 0.497 176.879 176.300 0.136 0.000 1.324 311 D CA -0.429 53.663 54.000 0.154 0.000 0.966 311 D CB 0.500 41.377 40.800 0.127 0.000 1.324 311 D HN 0.079 nan 8.370 nan 0.000 0.549 312 R N 2.029 122.610 120.500 0.136 0.000 2.117 312 R HA -0.109 4.340 4.340 0.183 0.000 0.243 312 R C 1.854 178.242 176.300 0.146 0.000 1.143 312 R CA 1.140 57.313 56.100 0.122 0.000 0.968 312 R CB -0.053 30.309 30.300 0.103 0.000 0.863 312 R HN 0.534 nan 8.270 nan 0.000 0.444 313 M N -0.070 119.615 119.600 0.141 0.000 2.200 313 M HA -0.070 4.520 4.480 0.183 0.000 0.265 313 M C 2.201 178.610 176.300 0.181 0.000 1.066 313 M CA 1.362 56.752 55.300 0.150 0.000 1.127 313 M CB -0.089 32.574 32.600 0.106 0.000 1.379 313 M HN -0.024 nan 8.290 nan 0.000 0.420 314 S N -0.051 115.744 115.700 0.158 0.000 2.423 314 S HA -0.065 4.515 4.470 0.183 0.000 0.231 314 S C 1.856 176.573 174.600 0.195 0.000 1.014 314 S CA 1.089 59.388 58.200 0.166 0.000 0.965 314 S CB -0.168 63.109 63.200 0.128 0.000 0.785 314 S HN 0.369 nan 8.310 nan 0.000 0.495 315 S N 0.774 116.587 115.700 0.188 0.000 2.603 315 S HA 0.211 4.791 4.470 0.183 0.000 0.220 315 S C 0.319 175.046 174.600 0.211 0.000 0.967 315 S CA -0.322 57.991 58.200 0.188 0.000 0.920 315 S CB -0.267 63.021 63.200 0.146 0.000 0.773 315 S HN 0.569 nan 8.310 nan 0.000 0.529 316 F N 2.695 122.711 119.950 0.111 0.000 2.571 316 F HA 0.376 5.011 4.527 0.180 0.000 0.384 316 F C 1.219 177.089 175.800 0.117 0.000 1.058 316 F CA 0.639 58.701 58.000 0.104 0.000 1.200 316 F CB -0.082 38.972 39.000 0.090 0.000 1.077 316 F HN 0.247 nan 8.300 nan 0.000 0.558 317 G N 4.121 112.667 108.800 -0.424 0.000 2.221 317 G HA2 -0.298 3.771 3.960 0.183 0.000 0.265 317 G HA3 -0.298 3.771 3.960 0.183 0.000 0.265 317 G C -0.303 174.627 174.900 0.051 0.000 1.041 317 G CA 0.134 45.112 45.100 -0.202 0.000 0.807 317 G HN 1.070 nan 8.290 nan 0.000 0.502 318 D N -0.870 119.585 120.400 0.092 0.000 2.360 318 D HA 0.492 5.242 4.640 0.183 0.000 0.242 318 D C -0.098 176.309 176.300 0.178 0.000 1.184 318 D CA -0.875 53.238 54.000 0.189 0.000 0.930 318 D CB 0.782 41.723 40.800 0.236 0.000 1.161 318 D HN 0.104 nan 8.370 nan 0.000 0.447 319 F N 0.098 120.154 119.950 0.177 0.000 2.426 319 F HA 0.433 5.087 4.527 0.212 0.000 0.348 319 F C -0.455 175.447 175.800 0.168 0.000 1.124 319 F CA -1.089 56.984 58.000 0.122 0.000 1.008 319 F CB 0.740 39.787 39.000 0.078 0.000 1.139 319 F HN 0.218 nan 8.300 nan 0.000 0.452 320 I N 5.081 125.647 120.570 -0.006 0.000 2.428 320 I HA 0.622 4.902 4.170 0.183 0.000 0.296 320 I C -0.217 176.011 176.117 0.186 0.000 0.985 320 I CA -0.737 60.627 61.300 0.106 0.000 1.260 320 I CB 1.524 39.424 38.000 -0.167 0.000 1.389 320 I HN 0.684 nan 8.210 nan 0.000 0.484 321 A N 7.249 130.197 122.820 0.213 0.000 2.355 321 A HA 0.884 5.314 4.320 0.183 0.000 0.317 321 A C -0.997 176.678 177.584 0.152 0.000 1.094 321 A CA -0.496 51.666 52.037 0.208 0.000 0.764 321 A CB 1.069 20.165 19.000 0.161 0.000 1.230 321 A HN 0.658 nan 8.150 nan 0.000 0.448 322 L N 2.248 123.563 121.223 0.154 0.000 2.381 322 L HA 0.369 4.818 4.340 0.183 0.000 0.274 322 L C 1.301 178.241 176.870 0.116 0.000 0.988 322 L CA -0.487 54.410 54.840 0.094 0.000 0.824 322 L CB 2.341 44.421 42.059 0.035 0.000 1.263 322 L HN 0.902 nan 8.230 nan 0.000 0.410 323 S N -0.640 115.072 115.700 0.020 0.000 2.489 323 S HA 0.062 4.642 4.470 0.183 0.000 0.228 323 S C 0.257 174.884 174.600 0.044 0.000 0.995 323 S CA 0.322 58.493 58.200 -0.047 0.000 0.934 323 S CB -0.108 63.020 63.200 -0.120 0.000 0.771 323 S HN 0.679 nan 8.310 nan 0.000 0.522 324 D N -0.001 120.419 120.400 0.034 0.000 2.450 324 D HA 0.525 5.274 4.640 0.183 0.000 0.238 324 D C -0.501 175.777 176.300 -0.037 0.000 1.020 324 D CA -0.798 53.210 54.000 0.014 0.000 1.010 324 D CB 1.070 41.874 40.800 0.006 0.000 1.342 324 D HN 0.095 nan 8.370 nan 0.000 0.530 325 I N 1.072 121.607 120.570 -0.059 0.000 2.752 325 I HA -0.083 4.197 4.170 0.183 0.000 0.289 325 I C 0.607 176.655 176.117 -0.114 0.000 1.197 325 I CA 0.084 61.307 61.300 -0.128 0.000 1.432 325 I CB 0.171 38.128 38.000 -0.071 0.000 1.359 325 I HN 0.271 nan 8.210 nan 0.000 0.571 326 C N 7.707 126.887 119.300 -0.199 0.000 2.648 326 C HA 0.100 4.670 4.460 0.183 0.000 0.415 326 C C 0.387 175.389 174.990 0.020 0.000 1.366 326 C CA -0.450 58.532 59.018 -0.059 0.000 1.756 326 C CB -1.087 26.671 27.740 0.029 0.000 2.549 326 C HN 0.874 nan 8.230 nan 0.000 0.597 327 D N 3.774 124.192 120.400 0.030 0.000 2.549 327 D HA 0.292 5.042 4.640 0.183 0.000 0.270 327 D C 0.850 177.178 176.300 0.046 0.000 1.181 327 D CA -0.707 53.315 54.000 0.037 0.000 1.070 327 D CB 0.411 41.228 40.800 0.029 0.000 1.154 327 D HN 0.232 nan 8.370 nan 0.000 0.602 328 V N -0.193 119.744 119.914 0.038 0.000 2.358 328 V HA -0.074 4.155 4.120 0.183 0.000 0.246 328 V C -0.972 175.142 176.094 0.034 0.000 1.047 328 V CA 1.681 64.001 62.300 0.033 0.000 1.035 328 V CB -1.493 30.345 31.823 0.024 0.000 0.658 328 V HN 0.538 nan 8.190 nan 0.000 0.452 329 P HA -0.094 nan 4.420 nan 0.000 0.217 329 P C 1.808 179.147 177.300 0.065 0.000 1.150 329 P CA 1.559 64.687 63.100 0.046 0.000 0.832 329 P CB -0.181 31.548 31.700 0.048 0.000 0.787 330 T N -0.421 114.175 114.554 0.070 0.000 2.708 330 T HA -0.148 4.312 4.350 0.183 0.000 0.266 330 T C 1.914 176.647 174.700 0.054 0.000 1.037 330 T CA 1.717 63.869 62.100 0.087 0.000 1.146 330 T CB -0.991 67.919 68.868 0.070 0.000 0.865 330 T HN 0.044 nan 8.240 nan 0.000 0.435 331 A N 1.674 124.516 122.820 0.037 0.000 1.933 331 A HA -0.101 4.328 4.320 0.183 0.000 0.218 331 A C 2.248 179.828 177.584 -0.006 0.000 1.175 331 A CA 1.379 53.423 52.037 0.011 0.000 0.628 331 A CB -0.392 18.623 19.000 0.025 0.000 0.814 331 A HN 0.447 nan 8.150 nan 0.000 0.444 332 K N -0.493 119.915 120.400 0.014 0.000 2.148 332 K HA -0.015 4.415 4.320 0.183 0.000 0.204 332 K C 1.739 178.350 176.600 0.018 0.000 1.050 332 K CA 1.318 57.609 56.287 0.007 0.000 0.942 332 K CB -0.306 32.202 32.500 0.014 0.000 0.724 332 K HN 0.545 nan 8.250 nan 0.000 0.446 333 I N 0.985 121.591 120.570 0.059 0.000 2.202 333 I HA -0.259 4.021 4.170 0.183 0.000 0.242 333 I C 2.225 178.399 176.117 0.095 0.000 1.091 333 I CA 1.212 62.573 61.300 0.102 0.000 1.368 333 I CB -0.221 37.900 38.000 0.201 0.000 1.058 333 I HN 0.083 nan 8.210 nan 0.000 0.410 334 I N -0.061 120.543 120.570 0.056 0.000 2.286 334 I HA -0.302 3.977 4.170 0.183 0.000 0.248 334 I C 2.780 178.813 176.117 -0.139 0.000 1.115 334 I CA 1.233 62.508 61.300 -0.042 0.000 1.392 334 I CB -0.388 37.518 38.000 -0.156 0.000 1.065 334 I HN 0.223 nan 8.210 nan 0.000 0.418 335 S N 1.585 117.208 115.700 -0.127 0.000 2.365 335 S HA -0.232 4.347 4.470 0.183 0.000 0.225 335 S C 2.092 176.616 174.600 -0.127 0.000 1.039 335 S CA 1.716 59.821 58.200 -0.159 0.000 1.033 335 S CB -0.242 62.897 63.200 -0.102 0.000 0.887 335 S HN 0.529 nan 8.310 nan 0.000 0.447 336 R N 0.077 120.535 120.500 -0.069 0.000 2.310 336 R HA 0.232 4.681 4.340 0.183 0.000 0.202 336 R C -0.246 176.029 176.300 -0.041 0.000 0.933 336 R CA 0.136 56.206 56.100 -0.050 0.000 1.054 336 R CB -0.018 30.266 30.300 -0.026 0.000 0.985 336 R HN 0.308 nan 8.270 nan 0.000 0.489 337 E N 1.192 121.364 120.200 -0.046 0.000 2.221 337 E HA 0.250 4.709 4.350 0.183 0.000 0.268 337 E C -0.818 175.722 176.600 -0.099 0.000 0.933 337 E CA -1.105 55.277 56.400 -0.029 0.000 0.809 337 E CB 2.752 32.480 29.700 0.046 0.000 1.190 337 E HN -0.134 nan 8.360 nan 0.000 0.406 338 V N 1.917 121.750 119.914 -0.136 0.000 2.427 338 V HA 0.208 4.437 4.120 0.183 0.000 0.268 338 V C 0.368 176.289 176.094 -0.289 0.000 1.046 338 V CA 0.286 62.407 62.300 -0.298 0.000 0.970 338 V CB 0.776 32.246 31.823 -0.589 0.000 1.001 338 V HN 0.574 nan 8.190 nan 0.000 0.476 339 S N 2.769 118.357 115.700 -0.187 0.000 2.588 339 S HA 0.460 5.039 4.470 0.183 0.000 0.275 339 S C 0.101 174.754 174.600 0.089 0.000 1.130 339 S CA -0.572 57.606 58.200 -0.038 0.000 0.855 339 S CB 2.169 65.392 63.200 0.037 0.000 1.116 339 S HN 0.733 nan 8.310 nan 0.000 0.472 340 D N 1.087 121.520 120.400 0.055 0.000 2.366 340 D HA 0.438 5.188 4.640 0.183 0.000 0.205 340 D C 0.548 176.684 176.300 -0.274 0.000 1.022 340 D CA 1.220 55.233 54.000 0.021 0.000 0.868 340 D CB 0.724 41.570 40.800 0.076 0.000 0.953 340 D HN 0.825 nan 8.370 nan 0.000 0.514 341 G N -1.122 107.278 108.800 -0.667 0.000 2.356 341 G HA2 0.421 4.490 3.960 0.183 0.000 0.294 341 G HA3 0.421 4.490 3.960 0.183 0.000 0.294 341 G C -2.121 171.809 174.900 -1.617 0.000 1.423 341 G CA -0.276 43.908 45.100 -1.526 0.000 0.806 341 G HN 0.136 nan 8.290 nan 0.000 0.527 342 V N -0.734 118.443 119.914 -1.228 0.000 2.932 342 V HA 0.830 5.060 4.120 0.183 0.000 0.307 342 V C -1.270 174.822 176.094 -0.005 0.000 1.147 342 V CA -0.578 61.441 62.300 -0.468 0.000 0.951 342 V CB 1.799 33.552 31.823 -0.116 0.000 1.031 342 V HN 1.626 nan 8.190 nan 0.000 0.426 343 V N 5.905 125.958 119.914 0.231 0.000 2.735 343 V HA 1.061 5.291 4.120 0.183 0.000 0.310 343 V C -0.185 176.010 176.094 0.167 0.000 1.061 343 V CA 0.448 62.889 62.300 0.235 0.000 0.913 343 V CB 1.648 33.608 31.823 0.229 0.000 1.005 343 V HN 1.947 nan 8.190 nan 0.000 0.428 344 A N 6.405 129.231 122.820 0.010 0.000 2.586 344 A HA 0.853 5.282 4.320 0.183 0.000 0.290 344 A C -2.781 174.650 177.584 -0.256 0.000 1.086 344 A CA -0.583 51.391 52.037 -0.104 0.000 0.665 344 A CB 1.658 20.369 19.000 -0.482 0.000 1.279 344 A HN 0.544 nan 8.150 nan 0.000 0.423 345 P HA 0.225 nan 4.420 nan 0.000 0.236 345 P C 0.712 177.903 177.300 -0.181 0.000 1.177 345 P CA 1.530 64.538 63.100 -0.155 0.000 0.773 345 P CB 0.569 32.305 31.700 0.059 0.000 0.878 346 G N -1.423 107.178 108.800 -0.332 0.000 2.349 346 G HA2 0.476 4.546 3.960 0.183 0.000 0.294 346 G HA3 0.476 4.546 3.960 0.183 0.000 0.294 346 G C -2.361 172.187 174.900 -0.587 0.000 1.380 346 G CA -0.617 44.317 45.100 -0.277 0.000 0.811 346 G HN -0.094 nan 8.290 nan 0.000 0.519 347 Y N 0.110 120.405 120.300 -0.008 0.000 2.470 347 Y HA 0.478 5.135 4.550 0.180 0.000 0.341 347 Y C 0.368 176.267 175.900 -0.002 0.000 1.021 347 Y CA -0.887 57.211 58.100 -0.004 0.000 1.025 347 Y CB 2.103 40.557 38.460 -0.010 0.000 1.266 347 Y HN 0.542 nan 8.280 nan 0.000 0.448 348 E N 2.020 122.294 120.200 0.124 0.000 2.390 348 E HA 0.034 4.494 4.350 0.183 0.000 0.261 348 E C 0.355 177.007 176.600 0.088 0.000 1.076 348 E CA -0.127 56.319 56.400 0.077 0.000 0.905 348 E CB 0.879 30.610 29.700 0.052 0.000 0.984 348 E HN 0.779 nan 8.360 nan 0.000 0.427 349 E N 1.864 122.097 120.200 0.055 0.000 2.049 349 E HA -0.277 4.182 4.350 0.183 0.000 0.198 349 E C 1.581 178.200 176.600 0.032 0.000 1.007 349 E CA 1.566 57.990 56.400 0.039 0.000 0.809 349 E CB 0.035 29.749 29.700 0.023 0.000 0.749 349 E HN 0.496 nan 8.360 nan 0.000 0.450 350 E N 0.342 120.560 120.200 0.029 0.000 2.077 350 E HA -0.171 4.289 4.350 0.183 0.000 0.193 350 E C 2.086 178.702 176.600 0.026 0.000 0.989 350 E CA 0.824 57.236 56.400 0.020 0.000 0.800 350 E CB -0.121 29.589 29.700 0.017 0.000 0.746 350 E HN 0.242 nan 8.360 nan 0.000 0.452 351 A N 1.247 124.097 122.820 0.051 0.000 1.902 351 A HA -0.171 4.259 4.320 0.183 0.000 0.217 351 A C 2.162 179.779 177.584 0.055 0.000 1.181 351 A CA 1.045 53.124 52.037 0.069 0.000 0.623 351 A CB -0.481 18.591 19.000 0.121 0.000 0.818 351 A HN 0.228 nan 8.150 nan 0.000 0.443 352 L N -0.293 120.958 121.223 0.047 0.000 2.141 352 L HA -0.085 4.364 4.340 0.183 0.000 0.209 352 L C 2.114 178.948 176.870 -0.059 0.000 1.094 352 L CA 2.053 56.858 54.840 -0.059 0.000 0.763 352 L CB -0.461 41.557 42.059 -0.069 0.000 0.908 352 L HN 0.336 nan 8.230 nan 0.000 0.437 353 K N -0.553 119.831 120.400 -0.027 0.000 2.057 353 K HA -0.099 4.331 4.320 0.183 0.000 0.206 353 K C 2.064 178.643 176.600 -0.035 0.000 1.050 353 K CA 1.744 58.013 56.287 -0.030 0.000 0.935 353 K CB -0.224 32.265 32.500 -0.017 0.000 0.715 353 K HN 0.340 nan 8.250 nan 0.000 0.439 354 I N 1.082 121.634 120.570 -0.030 0.000 2.202 354 I HA -0.287 3.993 4.170 0.183 0.000 0.242 354 I C 2.136 178.209 176.117 -0.073 0.000 1.091 354 I CA 1.245 62.519 61.300 -0.044 0.000 1.368 354 I CB -0.232 37.749 38.000 -0.031 0.000 1.058 354 I HN 0.095 nan 8.210 nan 0.000 0.410 355 L N -0.235 120.950 121.223 -0.063 0.000 2.046 355 L HA -0.177 4.272 4.340 0.183 0.000 0.208 355 L C 2.550 179.412 176.870 -0.013 0.000 1.077 355 L CA 1.127 55.926 54.840 -0.068 0.000 0.747 355 L CB -0.605 41.461 42.059 0.011 0.000 0.896 355 L HN 0.147 nan 8.230 nan 0.000 0.432 356 S N -0.463 115.222 115.700 -0.026 0.000 2.469 356 S HA -0.129 4.450 4.470 0.183 0.000 0.238 356 S C 1.830 176.423 174.600 -0.011 0.000 0.998 356 S CA 0.991 59.184 58.200 -0.011 0.000 0.957 356 S CB -0.118 63.053 63.200 -0.048 0.000 0.764 356 S HN 0.364 nan 8.310 nan 0.000 0.514 357 K N 1.020 121.394 120.400 -0.042 0.000 2.296 357 K HA 0.069 4.499 4.320 0.183 0.000 0.200 357 K C 0.418 176.980 176.600 -0.064 0.000 1.048 357 K CA 0.463 56.721 56.287 -0.048 0.000 0.966 357 K CB 0.103 32.569 32.500 -0.056 0.000 0.754 357 K HN 0.300 nan 8.250 nan 0.000 0.466 358 K N 1.502 121.830 120.400 -0.121 0.000 2.440 358 K HA -0.037 4.393 4.320 0.183 0.000 0.270 358 K C -0.177 176.397 176.600 -0.043 0.000 0.980 358 K CA 0.472 56.647 56.287 -0.186 0.000 0.953 358 K CB 0.272 32.423 32.500 -0.583 0.000 0.925 358 K HN -0.003 nan 8.250 nan 0.000 0.497 359 K N 2.146 122.519 120.400 -0.045 0.000 3.148 359 K HA -0.292 4.137 4.320 0.183 0.000 0.267 359 K C -0.648 175.962 176.600 0.018 0.000 0.996 359 K CA 0.630 56.925 56.287 0.012 0.000 0.737 359 K CB -1.449 31.096 32.500 0.075 0.000 1.308 359 K HN 0.815 nan 8.250 nan 0.000 0.470 360 N N -1.162 117.538 118.700 -0.001 0.000 2.725 360 N HA -0.218 4.632 4.740 0.183 0.000 0.249 360 N C 0.673 176.186 175.510 0.004 0.000 1.103 360 N CA 2.155 55.206 53.050 0.001 0.000 0.707 360 N CB -1.128 37.364 38.487 0.009 0.000 1.043 360 N HN 0.892 nan 8.380 nan 0.000 0.553 361 G N -2.853 105.951 108.800 0.006 0.000 2.176 361 G HA2 -0.206 3.864 3.960 0.183 0.000 0.253 361 G HA3 -0.206 3.864 3.960 0.183 0.000 0.253 361 G C 0.789 175.699 174.900 0.018 0.000 0.979 361 G CA 0.464 45.568 45.100 0.007 0.000 0.641 361 G HN 0.957 nan 8.290 nan 0.000 0.530 362 G N -0.788 108.033 108.800 0.035 0.000 3.277 362 G HA2 0.396 4.466 3.960 0.183 0.000 0.243 362 G HA3 0.396 4.466 3.960 0.183 0.000 0.243 362 G C 0.424 175.353 174.900 0.048 0.000 1.107 362 G CA 0.124 45.241 45.100 0.029 0.000 0.771 362 G HN 0.629 nan 8.290 nan 0.000 0.544 363 Y N 1.031 121.288 120.300 -0.072 0.000 2.717 363 Y HA 0.188 4.850 4.550 0.186 0.000 0.330 363 Y C 0.763 176.599 175.900 -0.107 0.000 1.217 363 Y CA -1.343 56.699 58.100 -0.098 0.000 1.506 363 Y CB 0.343 38.731 38.460 -0.119 0.000 1.268 363 Y HN 0.047 nan 8.280 nan 0.000 0.561 364 C N 8.050 127.003 119.300 -0.579 0.000 2.555 364 C HA 0.526 5.096 4.460 0.183 0.000 0.385 364 C C -0.542 174.063 174.990 -0.641 0.000 1.296 364 C CA -0.597 58.145 59.018 -0.461 0.000 1.757 364 C CB -2.177 25.413 27.740 -0.250 0.000 2.445 364 C HN 0.600 nan 8.230 nan 0.000 0.571 365 V N 8.681 128.371 119.914 -0.374 0.000 2.407 365 V HA 0.482 4.712 4.120 0.183 0.000 0.291 365 V C -0.094 175.897 176.094 -0.173 0.000 1.018 365 V CA -0.303 61.797 62.300 -0.333 0.000 0.842 365 V CB 1.329 32.905 31.823 -0.412 0.000 0.996 365 V HN 0.752 nan 8.190 nan 0.000 0.426 366 L N 4.224 125.429 121.223 -0.030 0.000 2.354 366 L HA 0.668 5.118 4.340 0.183 0.000 0.269 366 L C -0.373 176.556 176.870 0.097 0.000 1.005 366 L CA -0.527 54.321 54.840 0.014 0.000 0.819 366 L CB 2.149 44.225 42.059 0.029 0.000 1.311 366 L HN 0.597 nan 8.230 nan 0.000 0.423 367 Q N 2.840 122.649 119.800 0.016 0.000 2.333 367 Q HA 0.533 4.983 4.340 0.183 0.000 0.267 367 Q C -1.473 174.391 176.000 -0.227 0.000 1.012 367 Q CA -0.856 54.940 55.803 -0.013 0.000 0.824 367 Q CB 2.405 31.175 28.738 0.054 0.000 1.290 367 Q HN 0.596 nan 8.270 nan 0.000 0.449 368 M N 3.678 123.019 119.600 -0.432 0.000 2.294 368 M HA 0.256 4.846 4.480 0.183 0.000 0.335 368 M C -1.107 174.872 176.300 -0.535 0.000 1.079 368 M CA -0.461 54.431 55.300 -0.681 0.000 0.982 368 M CB 1.424 33.174 32.600 -1.417 0.000 1.651 368 M HN 0.505 nan 8.290 nan 0.000 0.437 369 D N 6.581 126.773 120.400 -0.346 0.000 2.346 369 D HA 0.150 4.900 4.640 0.183 0.000 0.260 369 D C -1.701 174.574 176.300 -0.042 0.000 1.252 369 D CA -1.591 52.322 54.000 -0.145 0.000 0.895 369 D CB 1.130 41.889 40.800 -0.067 0.000 1.097 369 D HN 0.436 nan 8.370 nan 0.000 0.489 370 P HA -0.096 nan 4.420 nan 0.000 0.228 370 P C 0.133 177.569 177.300 0.226 0.000 1.151 370 P CA 0.812 64.079 63.100 0.279 0.000 0.770 370 P CB 0.309 32.153 31.700 0.240 0.000 0.786 371 N N -1.899 116.890 118.700 0.148 0.000 2.299 371 N HA -0.005 4.845 4.740 0.183 0.000 0.187 371 N C 0.325 175.910 175.510 0.125 0.000 1.099 371 N CA -0.403 52.714 53.050 0.113 0.000 0.867 371 N CB -0.315 38.214 38.487 0.070 0.000 0.974 371 N HN 0.149 nan 8.380 nan 0.000 0.477 372 Y N 2.350 122.676 120.300 0.043 0.000 2.526 372 Y HA 0.075 4.729 4.550 0.172 0.000 0.330 372 Y C -0.308 175.627 175.900 0.058 0.000 1.156 372 Y CA 0.010 58.128 58.100 0.029 0.000 1.419 372 Y CB 0.465 38.921 38.460 -0.007 0.000 1.250 372 Y HN -0.054 nan 8.280 nan 0.000 0.540 373 E N 8.153 127.922 120.200 -0.718 0.000 2.248 373 E HA 0.330 4.790 4.350 0.183 0.000 0.267 373 E C -2.647 173.418 176.600 -0.892 0.000 0.877 373 E CA -2.136 53.921 56.400 -0.571 0.000 0.759 373 E CB 1.721 31.270 29.700 -0.251 0.000 1.182 373 E HN 0.524 nan 8.360 nan 0.000 0.418 374 P HA 0.220 nan 4.420 nan 0.000 0.276 374 P C -0.427 176.786 177.300 -0.146 0.000 1.244 374 P CA -0.497 62.416 63.100 -0.311 0.000 0.801 374 P CB 1.039 32.718 31.700 -0.035 0.000 1.006 375 D N 0.922 121.287 120.400 -0.059 0.000 2.378 375 D HA -0.012 4.737 4.640 0.183 0.000 0.238 375 D C 1.112 177.404 176.300 -0.014 0.000 1.180 375 D CA 0.121 54.105 54.000 -0.027 0.000 0.895 375 D CB 0.369 41.173 40.800 0.006 0.000 1.192 375 D HN 0.307 nan 8.370 nan 0.000 0.438 376 D N 0.031 120.424 120.400 -0.012 0.000 2.117 376 D HA -0.075 4.674 4.640 0.183 0.000 0.198 376 D C 0.303 176.609 176.300 0.010 0.000 0.982 376 D CA 1.025 55.023 54.000 -0.004 0.000 0.828 376 D CB 0.117 40.913 40.800 -0.007 0.000 0.967 376 D HN 0.309 nan 8.370 nan 0.000 0.464 377 N N 1.408 120.116 118.700 0.013 0.000 2.487 377 N HA 0.227 5.077 4.740 0.183 0.000 0.292 377 N C -0.220 175.306 175.510 0.027 0.000 1.108 377 N CA -0.105 52.957 53.050 0.020 0.000 0.956 377 N CB 1.691 40.188 38.487 0.016 0.000 1.176 377 N HN 0.218 nan 8.380 nan 0.000 0.484 378 E N 0.611 120.830 120.200 0.032 0.000 2.293 378 E HA 0.597 5.057 4.350 0.183 0.000 0.270 378 E C -0.926 175.694 176.600 0.035 0.000 0.879 378 E CA -0.698 55.723 56.400 0.035 0.000 0.756 378 E CB 1.833 31.561 29.700 0.046 0.000 1.208 378 E HN 0.373 nan 8.360 nan 0.000 0.428 379 I N 1.648 122.237 120.570 0.032 0.000 2.474 379 I HA 0.482 4.761 4.170 0.183 0.000 0.294 379 I C -0.297 175.844 176.117 0.039 0.000 1.005 379 I CA -0.891 60.430 61.300 0.035 0.000 1.113 379 I CB 1.988 40.009 38.000 0.035 0.000 1.289 379 I HN 0.450 nan 8.210 nan 0.000 0.436 380 R N 3.554 124.081 120.500 0.044 0.000 2.575 380 R HA 0.537 4.987 4.340 0.183 0.000 0.293 380 R C -1.315 175.016 176.300 0.052 0.000 0.983 380 R CA -0.395 55.735 56.100 0.051 0.000 0.887 380 R CB 2.008 32.340 30.300 0.054 0.000 1.184 380 R HN 0.610 nan 8.270 nan 0.000 0.445 381 T N 4.973 119.562 114.554 0.059 0.000 2.771 381 T HA 0.360 4.820 4.350 0.183 0.000 0.291 381 T C -0.949 173.791 174.700 0.067 0.000 0.954 381 T CA -0.353 61.782 62.100 0.058 0.000 1.045 381 T CB 0.855 69.757 68.868 0.057 0.000 0.917 381 T HN 0.345 nan 8.240 nan 0.000 0.484 382 L N 5.063 126.331 121.223 0.074 0.000 2.404 382 L HA 0.435 4.884 4.340 0.183 0.000 0.272 382 L C -0.474 176.501 176.870 0.174 0.000 0.980 382 L CA -0.742 54.158 54.840 0.100 0.000 0.836 382 L CB 0.702 42.806 42.059 0.074 0.000 1.238 382 L HN 0.704 nan 8.230 nan 0.000 0.408 383 Y N 5.473 125.775 120.300 0.004 0.000 3.491 383 Y HA -0.168 4.490 4.550 0.179 0.000 0.215 383 Y C 1.285 177.188 175.900 0.004 0.000 1.219 383 Y CA 1.485 59.587 58.100 0.002 0.000 1.485 383 Y CB -1.126 37.334 38.460 -0.001 0.000 1.450 383 Y HN 1.219 nan 8.280 nan 0.000 0.603 384 G N -0.626 108.179 108.800 0.007 0.000 2.184 384 G HA2 -0.305 3.765 3.960 0.183 0.000 0.264 384 G HA3 -0.305 3.765 3.960 0.183 0.000 0.264 384 G C 0.200 175.076 174.900 -0.040 0.000 0.975 384 G CA 0.308 45.372 45.100 -0.060 0.000 0.642 384 G HN 0.671 nan 8.290 nan 0.000 0.536 385 L N 0.006 121.229 121.223 0.000 0.000 2.334 385 L HA 0.634 5.084 4.340 0.183 0.000 0.270 385 L C -0.012 176.875 176.870 0.029 0.000 1.018 385 L CA -1.247 53.600 54.840 0.011 0.000 0.811 385 L CB 1.402 43.477 42.059 0.027 0.000 1.271 385 L HN -0.051 nan 8.230 nan 0.000 0.443 386 Q N 2.811 122.625 119.800 0.024 0.000 2.290 386 Q HA 0.552 5.001 4.340 0.183 0.000 0.259 386 Q C -0.894 175.125 176.000 0.031 0.000 0.941 386 Q CA -0.221 55.599 55.803 0.030 0.000 0.912 386 Q CB 2.329 31.083 28.738 0.026 0.000 1.244 386 Q HN 0.487 nan 8.270 nan 0.000 0.441 387 L N 3.033 124.277 121.223 0.036 0.000 2.296 387 L HA 0.589 5.038 4.340 0.183 0.000 0.286 387 L C -0.253 176.638 176.870 0.035 0.000 1.023 387 L CA -0.389 54.472 54.840 0.035 0.000 0.812 387 L CB 1.446 43.528 42.059 0.038 0.000 1.223 387 L HN 0.460 nan 8.230 nan 0.000 0.421 388 M N 4.616 124.235 119.600 0.032 0.000 2.464 388 M HA 0.486 5.075 4.480 0.183 0.000 0.308 388 M C -1.567 174.752 176.300 0.031 0.000 1.127 388 M CA -0.294 55.024 55.300 0.031 0.000 0.913 388 M CB 2.266 34.881 32.600 0.025 0.000 1.689 388 M HN 0.724 nan 8.290 nan 0.000 0.445 389 Q N 2.362 122.182 119.800 0.033 0.000 2.575 389 Q HA 0.497 4.946 4.340 0.183 0.000 0.290 389 Q C -1.685 174.333 176.000 0.030 0.000 0.963 389 Q CA -1.293 54.530 55.803 0.032 0.000 0.783 389 Q CB 1.531 30.294 28.738 0.042 0.000 1.467 389 Q HN 0.478 nan 8.270 nan 0.000 0.402 390 K N 1.842 122.256 120.400 0.024 0.000 2.298 390 K HA 0.190 4.620 4.320 0.183 0.000 0.280 390 K C -0.172 176.444 176.600 0.026 0.000 1.032 390 K CA -0.129 56.169 56.287 0.019 0.000 0.958 390 K CB 0.745 33.252 32.500 0.010 0.000 0.978 390 K HN 0.823 nan 8.250 nan 0.000 0.472 391 R N 2.254 122.771 120.500 0.029 0.000 2.801 391 R HA 0.065 4.515 4.340 0.183 0.000 0.273 391 R C 0.114 176.430 176.300 0.027 0.000 1.080 391 R CA -0.402 55.723 56.100 0.041 0.000 1.197 391 R CB 0.127 30.457 30.300 0.051 0.000 1.109 391 R HN 0.373 nan 8.270 nan 0.000 0.535 392 N N 0.979 119.696 118.700 0.027 0.000 2.555 392 N HA 0.030 4.880 4.740 0.183 0.000 0.244 392 N C -0.951 174.551 175.510 -0.014 0.000 1.114 392 N CA -0.191 52.853 53.050 -0.011 0.000 0.963 392 N CB 0.107 38.565 38.487 -0.047 0.000 1.276 392 N HN 0.494 nan 8.380 nan 0.000 0.510 393 N N 1.150 119.842 118.700 -0.013 0.000 2.276 393 N HA 0.091 4.940 4.740 0.183 0.000 0.212 393 N C -0.304 175.188 175.510 -0.030 0.000 1.127 393 N CA -0.120 52.923 53.050 -0.011 0.000 0.834 393 N CB 0.385 38.865 38.487 -0.012 0.000 1.014 393 N HN 0.492 nan 8.380 nan 0.000 0.491 394 A N 0.628 123.419 122.820 -0.048 0.000 2.524 394 A HA 0.208 4.637 4.320 0.183 0.000 0.250 394 A C 0.464 178.010 177.584 -0.063 0.000 1.078 394 A CA -0.089 51.910 52.037 -0.063 0.000 0.761 394 A CB 0.254 19.205 19.000 -0.082 0.000 1.012 394 A HN 0.023 nan 8.150 nan 0.000 0.500 395 V N 4.886 124.761 119.914 -0.065 0.000 2.461 395 V HA 0.138 4.368 4.120 0.183 0.000 0.275 395 V C 0.074 176.111 176.094 -0.094 0.000 1.047 395 V CA -0.306 61.954 62.300 -0.066 0.000 0.955 395 V CB 0.912 32.698 31.823 -0.063 0.000 0.988 395 V HN 0.640 nan 8.190 nan 0.000 0.471 396 I N 6.138 126.656 120.570 -0.087 0.000 2.307 396 I HA 0.496 4.776 4.170 0.183 0.000 0.289 396 I C -0.080 175.960 176.117 -0.129 0.000 1.021 396 I CA -0.265 60.963 61.300 -0.121 0.000 1.224 396 I CB 0.708 38.663 38.000 -0.074 0.000 1.376 396 I HN 0.881 nan 8.210 nan 0.000 0.470 397 D N 5.030 125.304 120.400 -0.210 0.000 2.921 397 D HA 0.275 5.025 4.640 0.183 0.000 0.329 397 D C 0.812 176.919 176.300 -0.322 0.000 1.293 397 D CA -0.754 53.137 54.000 -0.181 0.000 0.964 397 D CB 0.559 41.292 40.800 -0.113 0.000 1.435 397 D HN 0.297 nan 8.370 nan 0.000 0.548 398 R N -0.215 120.182 120.500 -0.170 0.000 2.200 398 R HA -0.096 4.354 4.340 0.183 0.000 0.234 398 R C 1.331 177.504 176.300 -0.211 0.000 1.127 398 R CA 1.875 57.899 56.100 -0.126 0.000 0.989 398 R CB -0.767 29.545 30.300 0.020 0.000 0.869 398 R HN 0.382 nan 8.270 nan 0.000 0.459 399 S N 0.786 116.361 115.700 -0.209 0.000 2.515 399 S HA -0.064 4.516 4.470 0.183 0.000 0.231 399 S C 1.761 176.218 174.600 -0.240 0.000 0.987 399 S CA 0.546 58.648 58.200 -0.164 0.000 0.936 399 S CB -0.074 63.055 63.200 -0.118 0.000 0.766 399 S HN 0.373 nan 8.310 nan 0.000 0.528 400 L N 0.195 121.133 121.223 -0.475 0.000 2.465 400 L HA 0.375 4.825 4.340 0.183 0.000 0.224 400 L C 0.391 177.021 176.870 -0.401 0.000 1.145 400 L CA 1.109 55.643 54.840 -0.511 0.000 0.834 400 L CB -0.651 40.983 42.059 -0.709 0.000 0.944 400 L HN 0.286 nan 8.230 nan 0.000 0.451 401 F N -1.507 118.427 119.950 -0.026 0.000 2.684 401 F HA 0.309 4.945 4.527 0.182 0.000 0.298 401 F C 1.825 177.615 175.800 -0.017 0.000 1.120 401 F CA -0.501 57.486 58.000 -0.022 0.000 1.332 401 F CB -0.561 38.419 39.000 -0.033 0.000 0.986 401 F HN -0.020 nan 8.300 nan 0.000 0.524 402 K N 1.142 121.600 120.400 0.096 0.000 2.155 402 K HA -0.120 4.310 4.320 0.183 0.000 0.203 402 K C 0.840 177.477 176.600 0.062 0.000 1.052 402 K CA 0.921 57.245 56.287 0.062 0.000 0.948 402 K CB -0.204 32.306 32.500 0.018 0.000 0.728 402 K HN 0.026 nan 8.250 nan 0.000 0.448 403 N N 1.109 119.852 118.700 0.071 0.000 3.245 403 N HA 0.117 4.966 4.740 0.183 0.000 0.296 403 N C -1.135 174.414 175.510 0.066 0.000 1.254 403 N CA -0.054 53.034 53.050 0.064 0.000 1.190 403 N CB -0.433 38.093 38.487 0.066 0.000 1.460 403 N HN 0.131 nan 8.380 nan 0.000 0.538 404 I N 1.440 122.041 120.570 0.051 0.000 2.517 404 I HA -0.040 4.239 4.170 0.183 0.000 0.285 404 I C 1.345 177.470 176.117 0.012 0.000 1.106 404 I CA -0.307 61.010 61.300 0.029 0.000 1.402 404 I CB 0.897 38.914 38.000 0.028 0.000 1.399 404 I HN 0.202 nan 8.210 nan 0.000 0.535 405 V N 1.612 121.516 119.914 -0.017 0.000 3.621 405 V HA 0.125 4.354 4.120 0.183 0.000 0.285 405 V C 0.814 176.891 176.094 -0.029 0.000 1.346 405 V CA -0.025 62.264 62.300 -0.018 0.000 1.104 405 V CB -0.674 31.135 31.823 -0.023 0.000 0.913 405 V HN 0.767 nan 8.190 nan 0.000 0.432 406 T N -1.151 113.383 114.554 -0.033 0.000 2.912 406 T HA 0.425 4.884 4.350 0.183 0.000 0.280 406 T C 0.959 175.651 174.700 -0.013 0.000 0.989 406 T CA -0.042 62.041 62.100 -0.029 0.000 0.995 406 T CB 1.936 70.782 68.868 -0.037 0.000 1.077 406 T HN 0.471 nan 8.240 nan 0.000 0.531 407 K N 0.764 121.156 120.400 -0.012 0.000 2.062 407 K HA -0.041 4.388 4.320 0.183 0.000 0.205 407 K C 0.389 176.987 176.600 -0.003 0.000 1.051 407 K CA 0.582 56.865 56.287 -0.006 0.000 0.941 407 K CB -0.460 32.035 32.500 -0.008 0.000 0.719 407 K HN 0.437 nan 8.250 nan 0.000 0.440 408 N N 2.952 121.648 118.700 -0.008 0.000 2.423 408 N HA -0.052 4.797 4.740 0.183 0.000 0.275 408 N C 0.174 175.692 175.510 0.014 0.000 1.283 408 N CA 0.505 53.555 53.050 0.000 0.000 0.932 408 N CB 0.865 39.344 38.487 -0.014 0.000 1.185 408 N HN 0.501 nan 8.380 nan 0.000 0.483 409 K N -0.679 119.733 120.400 0.020 0.000 2.440 409 K HA 0.133 4.563 4.320 0.183 0.000 0.207 409 K C 0.316 176.931 176.600 0.025 0.000 1.112 409 K CA -0.144 56.156 56.287 0.022 0.000 1.036 409 K CB 0.307 32.815 32.500 0.014 0.000 0.935 409 K HN 0.063 nan 8.250 nan 0.000 0.564 410 T N 1.855 116.426 114.554 0.028 0.000 2.770 410 T HA 0.431 4.890 4.350 0.183 0.000 0.281 410 T C -0.983 173.727 174.700 0.018 0.000 0.981 410 T CA -0.287 61.824 62.100 0.018 0.000 0.955 410 T CB 0.833 69.711 68.868 0.016 0.000 1.060 410 T HN 0.157 nan 8.240 nan 0.000 0.531 411 L N 2.255 123.465 121.223 -0.023 0.000 2.528 411 L HA 0.465 4.914 4.340 0.183 0.000 0.267 411 L C -2.630 174.143 176.870 -0.161 0.000 0.961 411 L CA -1.633 53.147 54.840 -0.102 0.000 0.866 411 L CB 1.468 43.454 42.059 -0.122 0.000 1.248 411 L HN 0.388 nan 8.230 nan 0.000 0.404 412 P HA 0.224 nan 4.420 nan 0.000 0.269 412 P C 0.200 177.359 177.300 -0.234 0.000 1.209 412 P CA -0.252 62.723 63.100 -0.208 0.000 0.776 412 P CB 0.724 32.292 31.700 -0.220 0.000 0.876 413 E N 0.724 120.841 120.200 -0.137 0.000 2.204 413 E HA -0.134 4.326 4.350 0.183 0.000 0.195 413 E C 1.724 178.245 176.600 -0.132 0.000 0.990 413 E CA 1.585 57.920 56.400 -0.108 0.000 0.821 413 E CB -0.441 29.226 29.700 -0.056 0.000 0.750 413 E HN 0.578 nan 8.360 nan 0.000 0.477 414 S N 0.321 115.930 115.700 -0.151 0.000 2.423 414 S HA 0.017 4.596 4.470 0.183 0.000 0.231 414 S C 2.120 176.585 174.600 -0.226 0.000 1.014 414 S CA 0.874 58.992 58.200 -0.136 0.000 0.965 414 S CB 0.027 63.172 63.200 -0.092 0.000 0.785 414 S HN 0.241 nan 8.310 nan 0.000 0.495 415 A N 1.387 123.949 122.820 -0.430 0.000 1.935 415 A HA 0.264 4.693 4.320 0.183 0.000 0.214 415 A C 2.318 179.629 177.584 -0.455 0.000 1.178 415 A CA 0.959 52.613 52.037 -0.638 0.000 0.640 415 A CB -0.875 17.233 19.000 -1.486 0.000 0.825 415 A HN 0.384 nan 8.150 nan 0.000 0.447 416 V N 0.605 120.311 119.914 -0.347 0.000 2.287 416 V HA -0.298 3.931 4.120 0.183 0.000 0.248 416 V C 2.668 178.735 176.094 -0.045 0.000 1.053 416 V CA 2.434 64.626 62.300 -0.180 0.000 1.027 416 V CB -0.820 30.994 31.823 -0.015 0.000 0.646 416 V HN 0.703 nan 8.190 nan 0.000 0.447 417 R N 0.250 120.712 120.500 -0.065 0.000 2.088 417 R HA -0.204 4.246 4.340 0.183 0.000 0.232 417 R C 2.086 178.372 176.300 -0.023 0.000 1.136 417 R CA 2.381 58.469 56.100 -0.020 0.000 0.926 417 R CB -0.586 29.697 30.300 -0.028 0.000 0.837 417 R HN 0.496 nan 8.270 nan 0.000 0.429 418 D N 0.783 121.143 120.400 -0.068 0.000 2.149 418 D HA -0.173 4.577 4.640 0.183 0.000 0.198 418 D C 2.068 178.342 176.300 -0.043 0.000 0.990 418 D CA 1.151 55.120 54.000 -0.051 0.000 0.839 418 D CB -0.228 40.538 40.800 -0.057 0.000 0.948 418 D HN 0.321 nan 8.370 nan 0.000 0.460 419 L N 0.253 121.413 121.223 -0.105 0.000 2.141 419 L HA -0.090 4.360 4.340 0.183 0.000 0.209 419 L C 2.471 179.428 176.870 0.144 0.000 1.094 419 L CA 0.541 55.331 54.840 -0.082 0.000 0.763 419 L CB -0.178 41.591 42.059 -0.484 0.000 0.908 419 L HN 0.008 nan 8.230 nan 0.000 0.437 420 I N -1.193 119.497 120.570 0.200 0.000 2.252 420 I HA -0.236 4.043 4.170 0.183 0.000 0.245 420 I C 2.406 178.581 176.117 0.097 0.000 1.102 420 I CA 0.830 62.249 61.300 0.198 0.000 1.385 420 I CB -0.148 37.943 38.000 0.152 0.000 1.064 420 I HN -0.012 nan 8.210 nan 0.000 0.414 421 V N 1.076 121.027 119.914 0.061 0.000 2.287 421 V HA -0.320 3.909 4.120 0.183 0.000 0.248 421 V C 2.699 178.820 176.094 0.046 0.000 1.053 421 V CA 2.138 64.464 62.300 0.043 0.000 1.027 421 V CB -1.008 30.829 31.823 0.023 0.000 0.646 421 V HN 0.502 nan 8.190 nan 0.000 0.447 422 A N -0.606 122.236 122.820 0.037 0.000 1.930 422 A HA -0.180 4.250 4.320 0.183 0.000 0.217 422 A C 2.465 180.072 177.584 0.039 0.000 1.175 422 A CA 2.170 54.225 52.037 0.030 0.000 0.627 422 A CB -0.583 18.422 19.000 0.009 0.000 0.815 422 A HN 0.518 nan 8.150 nan 0.000 0.443 423 S N -0.222 115.512 115.700 0.058 0.000 2.371 423 S HA -0.023 4.557 4.470 0.183 0.000 0.224 423 S C 1.778 176.393 174.600 0.025 0.000 1.029 423 S CA 1.257 59.483 58.200 0.043 0.000 0.978 423 S CB -0.404 62.843 63.200 0.079 0.000 0.833 423 S HN 0.542 nan 8.310 nan 0.000 0.466 424 I N 1.717 122.319 120.570 0.055 0.000 2.315 424 I HA -0.163 4.116 4.170 0.183 0.000 0.248 424 I C 2.675 178.881 176.117 0.149 0.000 1.117 424 I CA 0.902 62.258 61.300 0.093 0.000 1.404 424 I CB -0.479 37.582 38.000 0.102 0.000 1.071 424 I HN 0.255 nan 8.210 nan 0.000 0.419 425 A N 0.628 123.515 122.820 0.112 0.000 1.877 425 A HA -0.156 4.273 4.320 0.183 0.000 0.216 425 A C 2.429 180.068 177.584 0.091 0.000 1.186 425 A CA 1.735 53.845 52.037 0.123 0.000 0.620 425 A CB -0.965 18.080 19.000 0.075 0.000 0.822 425 A HN 0.225 nan 8.150 nan 0.000 0.443 426 V N 0.429 120.366 119.914 0.038 0.000 2.343 426 V HA -0.281 3.949 4.120 0.183 0.000 0.247 426 V C 2.528 178.587 176.094 -0.059 0.000 1.051 426 V CA 2.358 64.662 62.300 0.007 0.000 1.036 426 V CB -0.696 31.123 31.823 -0.008 0.000 0.654 426 V HN 0.727 nan 8.190 nan 0.000 0.451 427 K N -0.551 119.764 120.400 -0.142 0.000 2.160 427 K HA -0.209 4.221 4.320 0.183 0.000 0.206 427 K C 1.207 177.341 176.600 -0.776 0.000 1.047 427 K CA 1.859 57.901 56.287 -0.407 0.000 0.930 427 K CB -0.130 32.085 32.500 -0.476 0.000 0.720 427 K HN 0.575 nan 8.250 nan 0.000 0.450 428 Y N 0.168 120.371 120.300 -0.163 0.000 2.720 428 Y HA 0.232 4.857 4.550 0.126 0.000 0.277 428 Y C -0.388 175.546 175.900 0.056 0.000 1.144 428 Y CA -0.334 57.624 58.100 -0.236 0.000 1.221 428 Y CB 1.005 39.479 38.460 0.023 0.000 1.163 428 Y HN -0.187 nan 8.280 nan 0.000 0.537 429 T N 1.521 116.164 114.554 0.148 0.000 2.797 429 T HA 0.228 4.688 4.350 0.183 0.000 0.279 429 T C -0.230 174.614 174.700 0.239 0.000 0.991 429 T CA -0.871 61.342 62.100 0.188 0.000 0.979 429 T CB 1.129 70.045 68.868 0.080 0.000 0.943 429 T HN -0.069 nan 8.240 nan 0.000 0.444 430 Q N 2.193 122.111 119.800 0.197 0.000 2.263 430 Q HA 0.143 4.592 4.340 0.183 0.000 0.289 430 Q C 0.291 176.257 176.000 -0.056 0.000 1.061 430 Q CA 0.301 56.123 55.803 0.032 0.000 0.927 430 Q CB 0.299 29.075 28.738 0.064 0.000 1.154 430 Q HN 0.622 nan 8.270 nan 0.000 0.378 431 S N 2.320 117.842 115.700 -0.298 0.000 2.603 431 S HA 0.147 4.727 4.470 0.183 0.000 0.268 431 S C 0.370 174.934 174.600 -0.059 0.000 1.317 431 S CA -0.606 57.467 58.200 -0.213 0.000 1.012 431 S CB 0.486 63.437 63.200 -0.415 0.000 0.926 431 S HN 0.489 nan 8.310 nan 0.000 0.539 432 N N 0.638 119.322 118.700 -0.028 0.000 2.482 432 N HA 0.365 5.214 4.740 0.183 0.000 0.260 432 N C -0.549 174.991 175.510 0.049 0.000 1.236 432 N CA 0.050 53.100 53.050 -0.001 0.000 0.938 432 N CB 0.665 39.170 38.487 0.030 0.000 1.128 432 N HN 0.440 nan 8.380 nan 0.000 0.448 433 S N 0.867 116.614 115.700 0.077 0.000 2.536 433 S HA 0.547 5.127 4.470 0.183 0.000 0.271 433 S C -1.686 172.960 174.600 0.077 0.000 1.134 433 S CA -0.711 57.536 58.200 0.077 0.000 0.897 433 S CB 1.238 64.476 63.200 0.063 0.000 1.094 433 S HN 0.282 nan 8.310 nan 0.000 0.473 434 V N 3.995 123.964 119.914 0.092 0.000 2.841 434 V HA 0.835 5.065 4.120 0.183 0.000 0.310 434 V C -1.058 175.087 176.094 0.085 0.000 1.090 434 V CA -0.444 61.903 62.300 0.078 0.000 0.930 434 V CB 1.405 33.308 31.823 0.135 0.000 1.014 434 V HN 1.133 nan 8.190 nan 0.000 0.425 435 C N 6.863 126.178 119.300 0.025 0.000 2.431 435 C HA 0.758 5.328 4.460 0.183 0.000 0.321 435 C C -1.226 173.771 174.990 0.011 0.000 1.202 435 C CA -0.610 58.447 59.018 0.066 0.000 1.398 435 C CB 0.670 28.437 27.740 0.045 0.000 2.047 435 C HN 0.862 nan 8.230 nan 0.000 0.465 436 Y N 3.777 124.075 120.300 -0.004 0.000 2.320 436 Y HA 0.642 5.300 4.550 0.181 0.000 0.334 436 Y C 0.646 176.490 175.900 -0.093 0.000 1.055 436 Y CA 0.039 58.120 58.100 -0.032 0.000 1.143 436 Y CB 1.417 39.854 38.460 -0.038 0.000 1.193 436 Y HN 0.944 nan 8.280 nan 0.000 0.477 437 A N 3.218 126.061 122.820 0.037 0.000 2.498 437 A HA 0.895 5.324 4.320 0.183 0.000 0.298 437 A C -1.335 176.203 177.584 -0.077 0.000 1.075 437 A CA -0.863 51.140 52.037 -0.058 0.000 0.714 437 A CB 2.045 21.024 19.000 -0.036 0.000 1.299 437 A HN 0.602 nan 8.150 nan 0.000 0.407 438 K N 0.791 121.105 120.400 -0.143 0.000 2.562 438 K HA 0.510 4.939 4.320 0.183 0.000 0.267 438 K C -1.312 175.260 176.600 -0.046 0.000 0.938 438 K CA -0.048 56.183 56.287 -0.092 0.000 0.840 438 K CB 1.143 33.565 32.500 -0.131 0.000 1.390 438 K HN 0.585 nan 8.250 nan 0.000 0.428 439 D N 2.873 123.286 120.400 0.022 0.000 2.772 439 D HA -0.165 4.584 4.640 0.183 0.000 0.233 439 D C 0.521 176.852 176.300 0.052 0.000 1.143 439 D CA 2.166 56.208 54.000 0.070 0.000 0.700 439 D CB -1.232 39.663 40.800 0.158 0.000 1.076 439 D HN 1.118 nan 8.370 nan 0.000 0.430 440 G N -0.157 108.654 108.800 0.017 0.000 2.155 440 G HA2 -0.316 3.753 3.960 0.183 0.000 0.257 440 G HA3 -0.316 3.753 3.960 0.183 0.000 0.257 440 G C 0.154 175.061 174.900 0.012 0.000 0.983 440 G CA 1.199 46.309 45.100 0.017 0.000 0.676 440 G HN 0.824 nan 8.290 nan 0.000 0.528 441 Q N -1.397 118.391 119.800 -0.020 0.000 2.501 441 Q HA 0.739 5.189 4.340 0.183 0.000 0.288 441 Q C -0.528 175.407 176.000 -0.109 0.000 1.051 441 Q CA -1.188 54.592 55.803 -0.040 0.000 0.788 441 Q CB 2.028 30.753 28.738 -0.021 0.000 1.469 441 Q HN 0.338 nan 8.270 nan 0.000 0.416 442 V N 2.894 122.757 119.914 -0.085 0.000 2.572 442 V HA 0.057 4.286 4.120 0.183 0.000 0.291 442 V C 0.907 176.853 176.094 -0.247 0.000 1.039 442 V CA 0.426 62.667 62.300 -0.100 0.000 1.055 442 V CB 0.301 32.104 31.823 -0.033 0.000 0.969 442 V HN 0.831 nan 8.190 nan 0.000 0.482 443 I N 1.538 121.915 120.570 -0.322 0.000 4.288 443 I HA 0.662 4.942 4.170 0.183 0.000 0.331 443 I C 0.775 176.760 176.117 -0.221 0.000 1.322 443 I CA 0.172 61.109 61.300 -0.607 0.000 1.149 443 I CB 0.859 38.185 38.000 -1.123 0.000 1.112 443 I HN 0.609 nan 8.210 nan 0.000 0.403 444 G N 2.305 111.069 108.800 -0.059 0.000 2.659 444 G HA2 0.617 4.686 3.960 0.183 0.000 0.291 444 G HA3 0.617 4.686 3.960 0.183 0.000 0.291 444 G C -1.842 173.143 174.900 0.142 0.000 1.379 444 G CA -0.304 44.810 45.100 0.023 0.000 1.254 444 G HN 0.164 nan 8.290 nan 0.000 0.590 445 I N 1.776 122.411 120.570 0.109 0.000 2.686 445 I HA 0.810 5.090 4.170 0.183 0.000 0.295 445 I C 0.121 176.302 176.117 0.108 0.000 1.114 445 I CA -0.826 60.545 61.300 0.120 0.000 1.038 445 I CB 2.236 40.276 38.000 0.068 0.000 1.238 445 I HN 0.657 nan 8.210 nan 0.000 0.420 446 G N 4.849 113.721 108.800 0.119 0.000 2.448 446 G HA2 0.851 4.921 3.960 0.183 0.000 0.324 446 G HA3 0.851 4.921 3.960 0.183 0.000 0.324 446 G C -1.594 173.355 174.900 0.083 0.000 1.203 446 G CA -0.445 44.717 45.100 0.104 0.000 0.954 446 G HN 0.881 nan 8.290 nan 0.000 0.480 447 A N -0.296 122.567 122.820 0.071 0.000 2.572 447 A HA 0.805 5.235 4.320 0.183 0.000 0.295 447 A C 0.761 178.381 177.584 0.061 0.000 1.072 447 A CA 0.277 52.352 52.037 0.062 0.000 0.691 447 A CB 1.175 20.209 19.000 0.056 0.000 1.291 447 A HN 2.547 nan 8.150 nan 0.000 0.404 448 G N 0.256 109.090 108.800 0.056 0.000 2.180 448 G HA2 -0.216 3.853 3.960 0.183 0.000 0.263 448 G HA3 -0.216 3.853 3.960 0.183 0.000 0.263 448 G C 0.237 175.172 174.900 0.058 0.000 0.989 448 G CA 0.824 45.961 45.100 0.063 0.000 0.692 448 G HN 0.833 nan 8.290 nan 0.000 0.526 449 Q N -0.804 119.032 119.800 0.060 0.000 2.396 449 Q HA 0.467 4.916 4.340 0.183 0.000 0.221 449 Q C 1.319 177.350 176.000 0.052 0.000 1.025 449 Q CA 0.068 55.913 55.803 0.071 0.000 0.946 449 Q CB 0.426 29.223 28.738 0.098 0.000 1.224 449 Q HN 0.651 nan 8.270 nan 0.000 0.539 450 Q N -0.583 119.258 119.800 0.068 0.000 2.164 450 Q HA 0.208 4.657 4.340 0.183 0.000 0.226 450 Q C -0.182 175.825 176.000 0.013 0.000 0.813 450 Q CA -0.058 55.764 55.803 0.032 0.000 0.978 450 Q CB 1.314 30.074 28.738 0.037 0.000 1.149 450 Q HN 0.454 nan 8.270 nan 0.000 0.489 451 S N -0.212 115.502 115.700 0.023 0.000 2.547 451 S HA 0.358 4.937 4.470 0.183 0.000 0.281 451 S C 0.495 175.103 174.600 0.014 0.000 1.118 451 S CA -0.722 57.435 58.200 -0.071 0.000 0.947 451 S CB 1.227 64.184 63.200 -0.404 0.000 1.053 451 S HN 0.045 nan 8.310 nan 0.000 0.482 452 R N 2.492 123.010 120.500 0.031 0.000 2.073 452 R HA -0.028 4.422 4.340 0.183 0.000 0.234 452 R C 1.863 178.251 176.300 0.147 0.000 1.134 452 R CA 1.264 57.430 56.100 0.110 0.000 0.952 452 R CB -1.363 29.018 30.300 0.135 0.000 0.850 452 R HN 0.726 nan 8.270 nan 0.000 0.433 453 I N 1.010 121.644 120.570 0.107 0.000 2.315 453 I HA -0.216 4.063 4.170 0.183 0.000 0.248 453 I C 2.008 178.244 176.117 0.198 0.000 1.117 453 I CA 1.591 62.966 61.300 0.124 0.000 1.404 453 I CB -0.466 37.594 38.000 0.100 0.000 1.071 453 I HN 0.089 nan 8.210 nan 0.000 0.419 454 H N -0.793 118.329 119.070 0.086 0.000 2.352 454 H HA -0.184 4.481 4.556 0.181 0.000 0.299 454 H C 2.512 177.891 175.328 0.086 0.000 1.097 454 H CA 1.581 57.672 56.048 0.072 0.000 1.311 454 H CB -1.173 28.624 29.762 0.059 0.000 1.377 454 H HN 0.466 nan 8.280 nan 0.000 0.504 455 C N 0.392 119.831 119.300 0.233 0.000 2.446 455 C HA -0.116 4.454 4.460 0.183 0.000 0.277 455 C C 2.826 177.941 174.990 0.207 0.000 1.275 455 C CA 1.597 60.727 59.018 0.186 0.000 1.727 455 C CB -1.044 26.791 27.740 0.158 0.000 2.010 455 C HN 0.556 nan 8.230 nan 0.000 0.486 456 T N 0.208 114.894 114.554 0.220 0.000 2.833 456 T HA -0.143 4.317 4.350 0.183 0.000 0.269 456 T C 1.950 176.809 174.700 0.265 0.000 1.054 456 T CA 1.364 63.618 62.100 0.256 0.000 1.135 456 T CB -0.259 68.711 68.868 0.169 0.000 0.869 456 T HN 0.612 nan 8.240 nan 0.000 0.466 457 R N -0.018 120.593 120.500 0.185 0.000 2.075 457 R HA 0.103 4.553 4.340 0.183 0.000 0.226 457 R C 2.347 178.706 176.300 0.098 0.000 1.114 457 R CA 0.694 56.871 56.100 0.130 0.000 0.972 457 R CB -0.450 29.915 30.300 0.108 0.000 0.869 457 R HN 0.221 nan 8.270 nan 0.000 0.437 458 L N 0.837 122.125 121.223 0.109 0.000 2.017 458 L HA -0.071 4.379 4.340 0.183 0.000 0.208 458 L C 2.224 179.142 176.870 0.079 0.000 1.073 458 L CA 2.014 56.901 54.840 0.078 0.000 0.745 458 L CB -0.657 41.452 42.059 0.083 0.000 0.894 458 L HN 0.118 nan 8.230 nan 0.000 0.432 459 A N -0.674 122.231 122.820 0.142 0.000 1.972 459 A HA -0.055 4.375 4.320 0.183 0.000 0.219 459 A C 2.300 179.838 177.584 -0.077 0.000 1.169 459 A CA 1.477 53.607 52.037 0.156 0.000 0.635 459 A CB -1.509 17.710 19.000 0.366 0.000 0.810 459 A HN 0.550 nan 8.150 nan 0.000 0.446 460 G N -0.344 108.376 108.800 -0.133 0.000 2.408 460 G HA2 -0.181 3.889 3.960 0.183 0.000 0.217 460 G HA3 -0.181 3.889 3.960 0.183 0.000 0.217 460 G C 1.088 175.842 174.900 -0.244 0.000 1.150 460 G CA 1.109 45.904 45.100 -0.508 0.000 0.776 460 G HN 0.447 nan 8.290 nan 0.000 0.542 461 D N 0.616 120.971 120.400 -0.076 0.000 2.178 461 D HA -0.021 4.729 4.640 0.183 0.000 0.202 461 D C 2.429 178.740 176.300 0.019 0.000 0.974 461 D CA 0.733 54.726 54.000 -0.011 0.000 0.841 461 D CB -0.059 40.748 40.800 0.012 0.000 0.953 461 D HN 0.303 nan 8.370 nan 0.000 0.478 462 K N 0.513 120.920 120.400 0.010 0.000 2.155 462 K HA 0.047 4.477 4.320 0.183 0.000 0.203 462 K C 2.063 178.723 176.600 0.100 0.000 1.052 462 K CA 0.926 57.252 56.287 0.065 0.000 0.948 462 K CB 0.053 32.590 32.500 0.063 0.000 0.728 462 K HN 0.005 nan 8.250 nan 0.000 0.448 463 A N 1.628 124.437 122.820 -0.020 0.000 1.969 463 A HA -0.164 4.266 4.320 0.183 0.000 0.218 463 A C 1.722 179.443 177.584 0.229 0.000 1.169 463 A CA 1.405 53.464 52.037 0.036 0.000 0.635 463 A CB -0.599 18.221 19.000 -0.299 0.000 0.810 463 A HN 0.329 nan 8.150 nan 0.000 0.445 464 N N -0.042 118.738 118.700 0.133 0.000 2.069 464 N HA -0.142 4.708 4.740 0.183 0.000 0.191 464 N C 1.912 177.608 175.510 0.309 0.000 1.031 464 N CA 1.488 54.672 53.050 0.224 0.000 0.852 464 N CB -0.103 38.463 38.487 0.131 0.000 1.018 464 N HN 0.443 nan 8.380 nan 0.000 0.423 465 S N 0.116 115.965 115.700 0.248 0.000 2.368 465 S HA -0.160 4.420 4.470 0.183 0.000 0.225 465 S C 1.391 176.190 174.600 0.332 0.000 1.030 465 S CA 0.848 59.192 58.200 0.241 0.000 0.999 465 S CB -0.396 62.914 63.200 0.185 0.000 0.844 465 S HN 0.520 nan 8.310 nan 0.000 0.459 466 W N 1.522 122.959 121.300 0.228 0.000 2.335 466 W HA -0.134 4.638 4.660 0.186 0.000 0.311 466 W C 2.171 178.993 176.519 0.505 0.000 1.213 466 W CA 1.299 58.828 57.345 0.306 0.000 1.274 466 W CB -0.535 29.077 29.460 0.253 0.000 1.148 466 W HN 0.406 nan 8.180 nan 0.000 0.498 467 W N 0.581 122.088 121.300 0.344 0.000 2.388 467 W HA -0.206 4.563 4.660 0.182 0.000 0.294 467 W C 1.783 178.549 176.519 0.413 0.000 1.212 467 W CA 1.282 58.721 57.345 0.157 0.000 1.271 467 W CB -0.499 29.099 29.460 0.230 0.000 1.126 467 W HN -0.128 nan 8.180 nan 0.000 0.535 468 L N 0.629 122.029 121.223 0.295 0.000 2.191 468 L HA -0.174 4.276 4.340 0.183 0.000 0.212 468 L C 2.491 179.343 176.870 -0.031 0.000 1.103 468 L CA 1.152 56.056 54.840 0.107 0.000 0.769 468 L CB -0.617 41.519 42.059 0.128 0.000 0.908 468 L HN -0.106 nan 8.230 nan 0.000 0.438 469 R N -1.204 119.308 120.500 0.020 0.000 2.285 469 R HA -0.112 4.338 4.340 0.183 0.000 0.213 469 R C 1.465 177.606 176.300 -0.265 0.000 1.068 469 R CA 0.627 56.672 56.100 -0.091 0.000 1.004 469 R CB -0.191 30.048 30.300 -0.101 0.000 0.873 469 R HN 0.421 nan 8.270 nan 0.000 0.467 470 H N -1.580 117.284 119.070 -0.344 0.000 2.539 470 H HA 0.067 4.732 4.556 0.182 0.000 0.269 470 H C 0.231 175.255 175.328 -0.505 0.000 0.980 470 H CA -0.012 55.810 56.048 -0.376 0.000 1.152 470 H CB -0.071 29.419 29.762 -0.455 0.000 1.407 470 H HN 0.094 nan 8.280 nan 0.000 0.564 471 H N 1.709 120.322 119.070 -0.761 0.000 2.928 471 H HA -0.041 4.625 4.556 0.182 0.000 0.338 471 H C -1.617 173.276 175.328 -0.726 0.000 1.047 471 H CA -1.494 53.766 56.048 -1.313 0.000 1.435 471 H CB 1.297 30.341 29.762 -1.195 0.000 1.428 471 H HN 0.108 nan 8.280 nan 0.000 0.590 472 P HA -0.182 nan 4.420 nan 0.000 0.216 472 P C 1.573 178.791 177.300 -0.136 0.000 1.154 472 P CA 1.766 64.645 63.100 -0.368 0.000 0.865 472 P CB 0.045 31.512 31.700 -0.388 0.000 0.789 473 R N -0.374 120.191 120.500 0.107 0.000 2.120 473 R HA -0.088 4.362 4.340 0.183 0.000 0.234 473 R C 1.752 177.974 176.300 -0.130 0.000 1.123 473 R CA 1.207 57.305 56.100 -0.003 0.000 0.975 473 R CB -0.575 29.711 30.300 -0.024 0.000 0.866 473 R HN 0.047 nan 8.270 nan 0.000 0.446 474 V N 0.954 120.791 119.914 -0.129 0.000 2.346 474 V HA -0.172 4.058 4.120 0.183 0.000 0.244 474 V C 2.243 178.261 176.094 -0.127 0.000 1.037 474 V CA 1.365 63.560 62.300 -0.175 0.000 1.029 474 V CB -0.295 31.451 31.823 -0.130 0.000 0.663 474 V HN 0.320 nan 8.190 nan 0.000 0.454 475 L N 1.070 122.206 121.223 -0.145 0.000 2.191 475 L HA -0.123 4.327 4.340 0.183 0.000 0.212 475 L C 2.258 179.063 176.870 -0.108 0.000 1.103 475 L CA 1.799 56.558 54.840 -0.136 0.000 0.769 475 L CB -0.627 41.337 42.059 -0.158 0.000 0.908 475 L HN 0.550 nan 8.230 nan 0.000 0.438 476 S N -1.863 113.774 115.700 -0.105 0.000 2.577 476 S HA 0.188 4.768 4.470 0.183 0.000 0.219 476 S C 0.761 175.311 174.600 -0.084 0.000 0.962 476 S CA -0.431 57.716 58.200 -0.089 0.000 0.921 476 S CB -0.186 62.961 63.200 -0.088 0.000 0.789 476 S HN 0.168 nan 8.310 nan 0.000 0.497 477 M N 2.033 121.584 119.600 -0.081 0.000 2.250 477 M HA 0.105 4.695 4.480 0.183 0.000 0.337 477 M C 0.014 176.295 176.300 -0.032 0.000 1.161 477 M CA 0.822 56.060 55.300 -0.103 0.000 1.088 477 M CB 0.242 32.801 32.600 -0.069 0.000 1.639 477 M HN 0.084 nan 8.290 nan 0.000 0.447 478 K N 3.600 123.957 120.400 -0.073 0.000 2.419 478 K HA 0.357 4.787 4.320 0.183 0.000 0.244 478 K C -1.295 175.261 176.600 -0.074 0.000 1.045 478 K CA -0.258 56.012 56.287 -0.029 0.000 1.004 478 K CB 0.591 33.066 32.500 -0.041 0.000 1.376 478 K HN 0.340 nan 8.250 nan 0.000 0.460 479 F N 1.669 121.554 119.950 -0.108 0.000 2.406 479 F HA 0.184 4.821 4.527 0.183 0.000 0.327 479 F C 1.168 176.846 175.800 -0.203 0.000 1.153 479 F CA -0.297 57.517 58.000 -0.310 0.000 1.218 479 F CB 0.587 39.353 39.000 -0.389 0.000 1.215 479 F HN 0.102 nan 8.300 nan 0.000 0.570 480 K N 1.425 121.797 120.400 -0.045 0.000 2.382 480 K HA 0.402 4.831 4.320 0.183 0.000 0.275 480 K C -0.062 176.523 176.600 -0.024 0.000 1.009 480 K CA -0.491 55.772 56.287 -0.041 0.000 0.970 480 K CB 0.561 33.022 32.500 -0.065 0.000 0.934 480 K HN 0.704 nan 8.250 nan 0.000 0.479 481 A N 1.480 124.286 122.820 -0.023 0.000 2.483 481 A HA 0.396 4.825 4.320 0.183 0.000 0.238 481 A C 1.248 178.810 177.584 -0.037 0.000 1.070 481 A CA 0.807 52.828 52.037 -0.027 0.000 0.770 481 A CB -0.284 18.703 19.000 -0.021 0.000 1.008 481 A HN 0.926 nan 8.150 nan 0.000 0.497 482 G N 0.303 109.077 108.800 -0.044 0.000 2.284 482 G HA2 -0.173 3.896 3.960 0.183 0.000 0.216 482 G HA3 -0.173 3.896 3.960 0.183 0.000 0.216 482 G C 0.286 175.147 174.900 -0.064 0.000 1.009 482 G CA -0.013 45.060 45.100 -0.046 0.000 0.625 482 G HN 1.452 nan 8.290 nan 0.000 0.501 483 V N 2.712 122.576 119.914 -0.084 0.000 2.572 483 V HA 0.359 4.589 4.120 0.183 0.000 0.291 483 V C 0.915 176.919 176.094 -0.150 0.000 1.039 483 V CA 0.295 62.520 62.300 -0.125 0.000 1.055 483 V CB 1.226 32.950 31.823 -0.166 0.000 0.969 483 V HN 0.416 nan 8.190 nan 0.000 0.482 484 K N 3.848 124.167 120.400 -0.136 0.000 2.090 484 K HA 0.397 4.826 4.320 0.183 0.000 0.250 484 K C 1.178 177.677 176.600 -0.168 0.000 1.004 484 K CA -0.672 55.543 56.287 -0.121 0.000 0.919 484 K CB 1.013 33.468 32.500 -0.075 0.000 1.045 484 K HN 0.415 nan 8.250 nan 0.000 0.471 485 R N 0.664 121.084 120.500 -0.134 0.000 2.103 485 R HA -0.238 4.212 4.340 0.183 0.000 0.242 485 R C 2.126 178.351 176.300 -0.125 0.000 1.142 485 R CA 1.920 57.935 56.100 -0.142 0.000 0.960 485 R CB -0.484 29.766 30.300 -0.084 0.000 0.858 485 R HN 0.745 nan 8.270 nan 0.000 0.439 486 A N 1.101 123.878 122.820 -0.071 0.000 1.930 486 A HA -0.188 4.242 4.320 0.183 0.000 0.217 486 A C 1.894 179.449 177.584 -0.048 0.000 1.175 486 A CA 1.375 53.396 52.037 -0.026 0.000 0.627 486 A CB -0.283 18.732 19.000 0.025 0.000 0.815 486 A HN 0.333 nan 8.150 nan 0.000 0.443 487 E N -0.424 119.722 120.200 -0.091 0.000 2.072 487 E HA -0.108 4.352 4.350 0.183 0.000 0.191 487 E C 1.967 178.448 176.600 -0.198 0.000 0.985 487 E CA 1.220 57.556 56.400 -0.105 0.000 0.801 487 E CB -0.232 29.398 29.700 -0.118 0.000 0.750 487 E HN 0.386 nan 8.360 nan 0.000 0.452 488 V N 0.711 120.391 119.914 -0.389 0.000 2.295 488 V HA -0.266 3.964 4.120 0.183 0.000 0.246 488 V C 2.389 178.297 176.094 -0.310 0.000 1.049 488 V CA 1.928 63.792 62.300 -0.725 0.000 1.024 488 V CB -0.474 30.818 31.823 -0.886 0.000 0.648 488 V HN 0.261 nan 8.190 nan 0.000 0.447 489 S N 0.270 115.869 115.700 -0.168 0.000 2.368 489 S HA -0.208 4.372 4.470 0.183 0.000 0.225 489 S C 1.905 176.530 174.600 0.042 0.000 1.030 489 S CA 1.824 59.999 58.200 -0.042 0.000 0.999 489 S CB -0.424 62.766 63.200 -0.017 0.000 0.844 489 S HN 0.651 nan 8.310 nan 0.000 0.459 490 N N 1.611 120.340 118.700 0.048 0.000 2.188 490 N HA 0.082 4.932 4.740 0.183 0.000 0.184 490 N C 1.831 177.458 175.510 0.195 0.000 1.018 490 N CA 1.228 54.341 53.050 0.104 0.000 0.858 490 N CB -0.803 37.734 38.487 0.083 0.000 0.989 490 N HN 0.497 nan 8.380 nan 0.000 0.426 491 A N 0.972 123.932 122.820 0.233 0.000 1.930 491 A HA -0.019 4.411 4.320 0.183 0.000 0.217 491 A C 2.281 180.240 177.584 0.625 0.000 1.175 491 A CA 0.794 53.138 52.037 0.512 0.000 0.627 491 A CB -0.532 18.736 19.000 0.447 0.000 0.815 491 A HN 0.198 nan 8.150 nan 0.000 0.443 492 I N -0.279 120.534 120.570 0.404 0.000 2.286 492 I HA -0.192 4.088 4.170 0.183 0.000 0.245 492 I C 1.761 178.056 176.117 0.297 0.000 1.104 492 I CA 1.237 62.748 61.300 0.351 0.000 1.397 492 I CB -0.408 37.710 38.000 0.197 0.000 1.072 492 I HN 0.224 nan 8.210 nan 0.000 0.417 493 D N 0.673 121.203 120.400 0.217 0.000 2.117 493 D HA -0.205 4.544 4.640 0.183 0.000 0.197 493 D C 2.230 178.621 176.300 0.153 0.000 0.987 493 D CA 1.289 55.389 54.000 0.166 0.000 0.829 493 D CB -0.237 40.642 40.800 0.132 0.000 0.961 493 D HN 0.415 nan 8.370 nan 0.000 0.460 494 Q N -0.861 119.046 119.800 0.178 0.000 2.119 494 Q HA -0.167 4.283 4.340 0.183 0.000 0.201 494 Q C 1.979 177.996 176.000 0.029 0.000 0.972 494 Q CA 0.910 56.767 55.803 0.089 0.000 0.847 494 Q CB -0.154 28.644 28.738 0.100 0.000 0.903 494 Q HN 0.401 nan 8.270 nan 0.000 0.433 495 Y N 0.754 121.057 120.300 0.005 0.000 2.133 495 Y HA -0.225 4.434 4.550 0.182 0.000 0.287 495 Y C 2.109 177.963 175.900 -0.077 0.000 1.134 495 Y CA 1.583 59.634 58.100 -0.082 0.000 1.133 495 Y CB -0.190 38.360 38.460 0.150 0.000 0.987 495 Y HN 0.034 nan 8.280 nan 0.000 0.502 496 V N -1.941 118.049 119.914 0.127 0.000 2.809 496 V HA -0.100 4.130 4.120 0.183 0.000 0.256 496 V C 1.618 177.687 176.094 -0.042 0.000 1.080 496 V CA 2.021 64.326 62.300 0.009 0.000 1.102 496 V CB -1.459 30.433 31.823 0.115 0.000 0.705 496 V HN 0.606 nan 8.190 nan 0.000 0.475 497 T N -3.243 111.294 114.554 -0.028 0.000 3.069 497 T HA 0.439 4.899 4.350 0.183 0.000 0.252 497 T C 1.519 176.169 174.700 -0.083 0.000 1.053 497 T CA 0.502 62.584 62.100 -0.031 0.000 0.964 497 T CB 0.048 68.922 68.868 0.009 0.000 1.005 497 T HN 1.587 nan 8.240 nan 0.000 0.532 498 G N 2.296 111.003 108.800 -0.155 0.000 2.273 498 G HA2 -0.264 3.806 3.960 0.183 0.000 0.280 498 G HA3 -0.264 3.806 3.960 0.183 0.000 0.280 498 G C 0.421 175.233 174.900 -0.146 0.000 1.047 498 G CA 0.500 45.486 45.100 -0.189 0.000 0.869 498 G HN 1.127 nan 8.290 nan 0.000 0.502 499 T N -2.644 111.835 114.554 -0.125 0.000 3.308 499 T HA 0.572 5.031 4.350 0.183 0.000 0.270 499 T C 1.831 176.469 174.700 -0.105 0.000 0.992 499 T CA 0.161 62.207 62.100 -0.089 0.000 0.931 499 T CB 0.178 69.023 68.868 -0.038 0.000 1.142 499 T HN 0.248 nan 8.240 nan 0.000 0.525 500 I N 1.531 121.980 120.570 -0.202 0.000 2.333 500 I HA 0.312 4.591 4.170 0.183 0.000 0.246 500 I C 1.738 177.779 176.117 -0.127 0.000 1.106 500 I CA 1.251 62.397 61.300 -0.257 0.000 1.411 500 I CB -0.420 37.216 38.000 -0.608 0.000 1.082 500 I HN 0.752 nan 8.210 nan 0.000 0.420 501 G N 0.631 109.356 108.800 -0.124 0.000 2.566 501 G HA2 -0.083 3.986 3.960 0.183 0.000 0.599 501 G HA3 -0.083 3.986 3.960 0.183 0.000 0.599 501 G C -0.761 174.100 174.900 -0.066 0.000 1.292 501 G CA -0.793 44.266 45.100 -0.067 0.000 0.922 501 G HN 0.086 nan 8.290 nan 0.000 0.514 502 E N -0.213 119.966 120.200 -0.034 0.000 2.428 502 E HA 0.540 5.000 4.350 0.183 0.000 0.259 502 E C 0.487 177.088 176.600 0.001 0.000 0.930 502 E CA 0.070 56.456 56.400 -0.025 0.000 0.823 502 E CB 0.978 30.660 29.700 -0.030 0.000 1.403 502 E HN 0.690 nan 8.360 nan 0.000 0.415 503 D N 0.775 121.179 120.400 0.006 0.000 3.771 503 D HA -0.316 4.434 4.640 0.183 0.000 0.145 503 D C 1.153 177.473 176.300 0.033 0.000 0.892 503 D CA 1.883 55.892 54.000 0.016 0.000 1.080 503 D CB -0.626 40.180 40.800 0.010 0.000 0.498 503 D HN 0.695 nan 8.370 nan 0.000 0.499 504 E N 1.053 121.273 120.200 0.033 0.000 2.153 504 E HA -0.181 4.278 4.350 0.183 0.000 0.194 504 E C 1.448 178.088 176.600 0.066 0.000 0.988 504 E CA 1.587 58.014 56.400 0.045 0.000 0.811 504 E CB 0.003 29.724 29.700 0.035 0.000 0.746 504 E HN 0.263 nan 8.360 nan 0.000 0.466 505 D N 0.433 120.870 120.400 0.061 0.000 2.117 505 D HA -0.153 4.597 4.640 0.183 0.000 0.198 505 D C 1.982 178.365 176.300 0.138 0.000 0.982 505 D CA 0.594 54.645 54.000 0.085 0.000 0.828 505 D CB -0.189 40.641 40.800 0.051 0.000 0.967 505 D HN 0.207 nan 8.370 nan 0.000 0.464 506 L N 0.854 122.140 121.223 0.105 0.000 2.027 506 L HA -0.129 4.321 4.340 0.183 0.000 0.206 506 L C 2.262 179.273 176.870 0.234 0.000 1.074 506 L CA 1.266 56.197 54.840 0.151 0.000 0.745 506 L CB -0.531 41.566 42.059 0.064 0.000 0.898 506 L HN -0.152 nan 8.230 nan 0.000 0.433 507 V N 0.094 120.098 119.914 0.150 0.000 2.287 507 V HA -0.365 3.865 4.120 0.183 0.000 0.248 507 V C 2.665 178.852 176.094 0.155 0.000 1.053 507 V CA 2.309 64.689 62.300 0.133 0.000 1.027 507 V CB -0.813 31.059 31.823 0.082 0.000 0.646 507 V HN 0.546 nan 8.190 nan 0.000 0.447 508 K N -1.265 119.228 120.400 0.154 0.000 2.057 508 K HA -0.270 4.160 4.320 0.183 0.000 0.207 508 K C 2.019 178.735 176.600 0.194 0.000 1.049 508 K CA 2.104 58.475 56.287 0.140 0.000 0.931 508 K CB -0.320 32.254 32.500 0.122 0.000 0.714 508 K HN 0.588 nan 8.250 nan 0.000 0.440 509 W N 1.849 123.209 121.300 0.101 0.000 2.358 509 W HA -0.172 4.598 4.660 0.182 0.000 0.303 509 W C 1.810 178.493 176.519 0.273 0.000 1.208 509 W CA 1.572 59.019 57.345 0.170 0.000 1.274 509 W CB -0.019 29.544 29.460 0.173 0.000 1.138 509 W HN 0.152 nan 8.180 nan 0.000 0.515 510 Q N -0.159 119.881 119.800 0.399 0.000 2.224 510 Q HA -0.107 4.343 4.340 0.183 0.000 0.203 510 Q C 2.230 178.296 176.000 0.109 0.000 0.970 510 Q CA 1.296 57.222 55.803 0.205 0.000 0.865 510 Q CB -0.526 28.353 28.738 0.235 0.000 0.922 510 Q HN 0.362 nan 8.270 nan 0.000 0.445 511 A N 0.397 123.257 122.820 0.067 0.000 2.209 511 A HA -0.057 4.372 4.320 0.183 0.000 0.212 511 A C 1.769 179.307 177.584 -0.077 0.000 1.158 511 A CA 0.673 52.715 52.037 0.009 0.000 0.742 511 A CB -0.314 18.697 19.000 0.019 0.000 0.790 511 A HN 0.290 nan 8.150 nan 0.000 0.472 512 M N -1.374 118.105 119.600 -0.203 0.000 2.558 512 M HA 0.179 4.769 4.480 0.183 0.000 0.255 512 M C -0.638 175.273 176.300 -0.649 0.000 1.113 512 M CA 0.414 55.459 55.300 -0.425 0.000 1.097 512 M CB 0.061 32.296 32.600 -0.608 0.000 1.426 512 M HN 0.351 nan 8.290 nan 0.000 0.488 513 F N -0.361 119.368 119.950 -0.368 0.000 2.470 513 F HA 0.247 4.884 4.527 0.182 0.000 0.329 513 F C 1.368 177.027 175.800 -0.235 0.000 1.072 513 F CA -0.913 56.842 58.000 -0.407 0.000 0.989 513 F CB 0.723 39.378 39.000 -0.576 0.000 1.193 513 F HN -0.083 nan 8.300 nan 0.000 0.481 514 E N 0.084 120.276 120.200 -0.014 0.000 2.112 514 E HA -0.092 4.367 4.350 0.183 0.000 0.190 514 E C 0.115 176.701 176.600 -0.023 0.000 0.979 514 E CA 0.812 57.198 56.400 -0.023 0.000 0.814 514 E CB 0.346 30.029 29.700 -0.028 0.000 0.762 514 E HN 0.530 nan 8.360 nan 0.000 0.460 515 E N 1.131 121.312 120.200 -0.031 0.000 2.265 515 E HA 0.216 4.676 4.350 0.183 0.000 0.262 515 E C -1.267 175.218 176.600 -0.192 0.000 0.889 515 E CA -0.423 55.926 56.400 -0.084 0.000 0.789 515 E CB 1.789 31.435 29.700 -0.090 0.000 1.221 515 E HN -0.182 nan 8.360 nan 0.000 0.414 516 V N 6.448 126.229 119.914 -0.222 0.000 2.521 516 V HA 0.192 4.421 4.120 0.183 0.000 0.286 516 V C -1.662 174.190 176.094 -0.403 0.000 1.034 516 V CA -0.840 61.199 62.300 -0.435 0.000 1.045 516 V CB 0.498 32.198 31.823 -0.205 0.000 0.974 516 V HN 0.635 nan 8.190 nan 0.000 0.480 517 P HA 0.477 nan 4.420 nan 0.000 0.288 517 P C -0.646 176.607 177.300 -0.077 0.000 1.267 517 P CA -0.406 62.496 63.100 -0.331 0.000 0.815 517 P CB 1.568 32.971 31.700 -0.494 0.000 0.989 518 A N 3.368 126.170 122.820 -0.031 0.000 2.371 518 A HA 0.189 4.619 4.320 0.183 0.000 0.257 518 A C 0.454 178.092 177.584 0.090 0.000 1.089 518 A CA -0.348 51.699 52.037 0.017 0.000 0.794 518 A CB -0.098 18.889 19.000 -0.021 0.000 1.029 518 A HN 0.588 nan 8.150 nan 0.000 0.488 519 Q N 0.520 120.323 119.800 0.006 0.000 2.340 519 Q HA 0.330 4.780 4.340 0.183 0.000 0.249 519 Q C -0.639 175.246 176.000 -0.192 0.000 0.957 519 Q CA -0.161 55.539 55.803 -0.172 0.000 0.882 519 Q CB 0.767 29.316 28.738 -0.316 0.000 1.235 519 Q HN 0.656 nan 8.270 nan 0.000 0.439 520 L N 1.987 123.025 121.223 -0.308 0.000 2.453 520 L HA 0.083 4.533 4.340 0.183 0.000 0.272 520 L C 0.996 177.763 176.870 -0.172 0.000 1.182 520 L CA -0.287 54.416 54.840 -0.230 0.000 0.858 520 L CB 0.238 42.115 42.059 -0.303 0.000 1.120 520 L HN 0.757 nan 8.230 nan 0.000 0.474 521 T N -1.515 112.977 114.554 -0.104 0.000 2.766 521 T HA 0.074 4.534 4.350 0.183 0.000 0.295 521 T C 1.031 175.694 174.700 -0.062 0.000 1.024 521 T CA -0.780 61.275 62.100 -0.075 0.000 1.018 521 T CB 1.121 69.964 68.868 -0.042 0.000 1.002 521 T HN 0.522 nan 8.240 nan 0.000 0.532 522 E N 0.819 120.990 120.200 -0.048 0.000 2.110 522 E HA -0.101 4.358 4.350 0.183 0.000 0.193 522 E C 2.451 179.051 176.600 0.000 0.000 0.988 522 E CA 1.545 57.927 56.400 -0.030 0.000 0.804 522 E CB -0.964 28.720 29.700 -0.027 0.000 0.745 522 E HN 0.838 nan 8.360 nan 0.000 0.458 523 A N 1.304 124.127 122.820 0.006 0.000 1.933 523 A HA -0.202 4.227 4.320 0.183 0.000 0.218 523 A C 2.015 179.632 177.584 0.056 0.000 1.175 523 A CA 1.480 53.534 52.037 0.028 0.000 0.628 523 A CB -0.381 18.632 19.000 0.022 0.000 0.814 523 A HN 0.226 nan 8.150 nan 0.000 0.444 524 E N -0.191 120.037 120.200 0.046 0.000 2.106 524 E HA -0.151 4.309 4.350 0.183 0.000 0.192 524 E C 1.994 178.678 176.600 0.140 0.000 0.984 524 E CA 1.155 57.608 56.400 0.087 0.000 0.806 524 E CB -0.123 29.596 29.700 0.032 0.000 0.750 524 E HN 0.571 nan 8.360 nan 0.000 0.458 525 K N 1.021 121.467 120.400 0.077 0.000 2.057 525 K HA -0.105 4.324 4.320 0.183 0.000 0.206 525 K C 2.061 178.777 176.600 0.194 0.000 1.050 525 K CA 0.994 57.354 56.287 0.123 0.000 0.935 525 K CB 0.017 32.537 32.500 0.033 0.000 0.715 525 K HN -0.035 nan 8.250 nan 0.000 0.439 526 K N 0.942 121.420 120.400 0.129 0.000 2.057 526 K HA -0.170 4.260 4.320 0.183 0.000 0.207 526 K C 2.232 178.921 176.600 0.148 0.000 1.049 526 K CA 1.395 57.754 56.287 0.119 0.000 0.931 526 K CB -0.020 32.523 32.500 0.071 0.000 0.714 526 K HN 0.157 nan 8.250 nan 0.000 0.440 527 Q N -0.160 119.739 119.800 0.166 0.000 2.050 527 Q HA -0.183 4.266 4.340 0.183 0.000 0.202 527 Q C 1.860 178.005 176.000 0.241 0.000 0.980 527 Q CA 1.515 57.423 55.803 0.175 0.000 0.840 527 Q CB -0.176 28.669 28.738 0.178 0.000 0.898 527 Q HN 0.493 nan 8.270 nan 0.000 0.424 528 W N 1.045 122.438 121.300 0.156 0.000 2.379 528 W HA -0.169 4.600 4.660 0.182 0.000 0.307 528 W C 1.630 178.380 176.519 0.385 0.000 1.200 528 W CA 1.137 58.606 57.345 0.208 0.000 1.297 528 W CB -0.151 29.422 29.460 0.190 0.000 1.140 528 W HN 0.129 nan 8.180 nan 0.000 0.507 529 I N 1.476 122.254 120.570 0.347 0.000 2.335 529 I HA -0.307 3.973 4.170 0.183 0.000 0.251 529 I C 2.548 178.723 176.117 0.096 0.000 1.129 529 I CA 1.531 63.017 61.300 0.310 0.000 1.402 529 I CB -0.804 37.342 38.000 0.243 0.000 1.069 529 I HN -0.051 nan 8.210 nan 0.000 0.424 530 A N 0.339 123.195 122.820 0.060 0.000 2.172 530 A HA -0.130 4.299 4.320 0.183 0.000 0.216 530 A C 2.095 179.633 177.584 -0.078 0.000 1.154 530 A CA 1.050 53.080 52.037 -0.012 0.000 0.701 530 A CB -0.349 18.659 19.000 0.014 0.000 0.789 530 A HN 0.379 nan 8.150 nan 0.000 0.465 531 K N -1.069 119.266 120.400 -0.109 0.000 2.400 531 K HA 0.163 4.592 4.320 0.183 0.000 0.194 531 K C 0.027 176.427 176.600 -0.333 0.000 1.033 531 K CA -0.267 55.911 56.287 -0.180 0.000 1.021 531 K CB -0.057 32.300 32.500 -0.240 0.000 0.808 531 K HN 0.391 nan 8.250 nan 0.000 0.505 532 L N 2.126 123.001 121.223 -0.580 0.000 2.380 532 L HA 0.082 4.532 4.340 0.183 0.000 0.273 532 L C 0.076 176.657 176.870 -0.482 0.000 1.138 532 L CA 0.674 54.945 54.840 -0.949 0.000 0.832 532 L CB 0.750 41.994 42.059 -1.358 0.000 1.124 532 L HN 0.141 nan 8.230 nan 0.000 0.454 533 T N 1.589 115.908 114.554 -0.391 0.000 2.864 533 T HA 0.709 5.169 4.350 0.183 0.000 0.289 533 T C 0.335 174.938 174.700 -0.162 0.000 1.082 533 T CA -0.442 61.520 62.100 -0.229 0.000 1.009 533 T CB 1.314 70.085 68.868 -0.162 0.000 1.234 533 T HN 1.652 nan 8.240 nan 0.000 0.526 534 A N -0.065 122.687 122.820 -0.114 0.000 2.745 534 A HA -0.011 4.419 4.320 0.183 0.000 0.296 534 A C 0.366 177.999 177.584 0.082 0.000 1.500 534 A CA 0.620 52.666 52.037 0.015 0.000 0.766 534 A CB -2.607 16.468 19.000 0.125 0.000 1.030 534 A HN 1.212 nan 8.150 nan 0.000 0.489 535 V N 0.495 120.401 119.914 -0.012 0.000 2.686 535 V HA 0.547 4.776 4.120 0.183 0.000 0.295 535 V C 0.929 177.086 176.094 0.106 0.000 1.057 535 V CA 0.190 62.511 62.300 0.036 0.000 1.012 535 V CB 1.826 33.660 31.823 0.018 0.000 1.006 535 V HN 0.626 nan 8.190 nan 0.000 0.477 536 S N 3.817 119.584 115.700 0.112 0.000 2.593 536 S HA 0.775 5.354 4.470 0.183 0.000 0.297 536 S C -0.674 173.923 174.600 -0.006 0.000 1.112 536 S CA -0.510 57.752 58.200 0.102 0.000 1.043 536 S CB 1.537 64.768 63.200 0.052 0.000 1.054 536 S HN 0.634 nan 8.310 nan 0.000 0.516 537 L N 1.625 122.818 121.223 -0.050 0.000 2.431 537 L HA 0.739 5.188 4.340 0.183 0.000 0.266 537 L C -0.947 175.876 176.870 -0.078 0.000 0.978 537 L CA -0.186 54.562 54.840 -0.153 0.000 0.822 537 L CB 2.062 43.957 42.059 -0.273 0.000 1.310 537 L HN 0.673 nan 8.230 nan 0.000 0.409 538 S N 2.427 118.079 115.700 -0.081 0.000 2.532 538 S HA 0.631 5.210 4.470 0.183 0.000 0.299 538 S C -1.062 173.488 174.600 -0.083 0.000 1.105 538 S CA -0.367 57.800 58.200 -0.054 0.000 1.018 538 S CB 1.814 65.008 63.200 -0.010 0.000 1.021 538 S HN 0.700 nan 8.310 nan 0.000 0.483 539 S N 2.075 117.677 115.700 -0.163 0.000 2.537 539 S HA 0.377 4.957 4.470 0.183 0.000 0.301 539 S C 0.696 175.192 174.600 -0.172 0.000 1.092 539 S CA -0.595 57.480 58.200 -0.208 0.000 1.048 539 S CB 1.070 63.932 63.200 -0.563 0.000 1.053 539 S HN 0.863 nan 8.310 nan 0.000 0.501 540 D N 2.881 123.225 120.400 -0.094 0.000 2.224 540 D HA 0.185 4.935 4.640 0.183 0.000 0.205 540 D C 0.585 176.741 176.300 -0.240 0.000 0.965 540 D CA 0.871 54.821 54.000 -0.083 0.000 0.852 540 D CB -0.151 40.712 40.800 0.105 0.000 0.947 540 D HN 0.545 nan 8.370 nan 0.000 0.494 541 A N -0.690 121.981 122.820 -0.248 0.000 2.569 541 A HA 0.562 4.992 4.320 0.183 0.000 0.290 541 A C -0.739 176.625 177.584 -0.367 0.000 1.136 541 A CA -1.044 50.763 52.037 -0.383 0.000 0.710 541 A CB 0.510 19.252 19.000 -0.430 0.000 1.303 541 A HN 0.159 nan 8.150 nan 0.000 0.413 542 F N -0.473 119.341 119.950 -0.227 0.000 2.595 542 F HA 0.540 5.179 4.527 0.186 0.000 0.359 542 F C -0.738 175.001 175.800 -0.101 0.000 1.147 542 F CA -0.724 57.149 58.000 -0.211 0.000 1.341 542 F CB -0.362 38.532 39.000 -0.176 0.000 1.104 542 F HN 0.242 nan 8.300 nan 0.000 0.603 543 F N 4.374 124.485 119.950 0.269 0.000 2.472 543 F HA 0.315 4.953 4.527 0.184 0.000 0.364 543 F C -1.463 174.491 175.800 0.257 0.000 1.090 543 F CA -2.259 55.848 58.000 0.178 0.000 1.188 543 F CB 0.492 39.577 39.000 0.142 0.000 1.105 543 F HN 0.343 nan 8.300 nan 0.000 0.536 544 P HA -0.066 nan 4.420 nan 0.000 0.214 544 P C -0.374 176.678 177.300 -0.413 0.000 1.162 544 P CA 1.483 64.569 63.100 -0.024 0.000 0.874 544 P CB 0.288 31.891 31.700 -0.162 0.000 0.784 545 F N -2.305 117.749 119.950 0.174 0.000 2.618 545 F HA 0.392 5.028 4.527 0.183 0.000 0.332 545 F C 1.838 177.660 175.800 0.036 0.000 1.061 545 F CA -1.092 56.963 58.000 0.091 0.000 0.974 545 F CB 0.798 39.831 39.000 0.054 0.000 1.310 545 F HN -0.363 nan 8.300 nan 0.000 0.491 546 R N -0.204 120.434 120.500 0.229 0.000 2.285 546 R HA -0.087 4.363 4.340 0.183 0.000 0.213 546 R C 0.729 177.032 176.300 0.005 0.000 1.068 546 R CA 1.539 57.682 56.100 0.072 0.000 1.004 546 R CB -0.783 29.553 30.300 0.061 0.000 0.873 546 R HN 0.672 nan 8.270 nan 0.000 0.467 547 D N 1.090 121.522 120.400 0.052 0.000 2.221 547 D HA -0.227 4.523 4.640 0.183 0.000 0.204 547 D C 1.008 177.265 176.300 -0.072 0.000 0.982 547 D CA 1.145 55.145 54.000 -0.000 0.000 0.857 547 D CB -0.545 40.268 40.800 0.023 0.000 0.934 547 D HN 0.301 nan 8.370 nan 0.000 0.475 548 N N 0.410 119.006 118.700 -0.174 0.000 2.120 548 N HA -0.094 4.756 4.740 0.183 0.000 0.188 548 N C 2.037 177.293 175.510 -0.423 0.000 1.024 548 N CA 1.196 54.003 53.050 -0.405 0.000 0.852 548 N CB -0.098 37.783 38.487 -1.010 0.000 1.003 548 N HN 0.188 nan 8.380 nan 0.000 0.424 549 V N 2.180 121.864 119.914 -0.383 0.000 2.358 549 V HA -0.177 4.053 4.120 0.183 0.000 0.246 549 V C 1.800 177.820 176.094 -0.124 0.000 1.047 549 V CA 1.551 63.708 62.300 -0.238 0.000 1.035 549 V CB -0.451 31.283 31.823 -0.147 0.000 0.658 549 V HN 0.185 nan 8.190 nan 0.000 0.452 550 D N -0.060 120.286 120.400 -0.090 0.000 2.117 550 D HA -0.177 4.572 4.640 0.183 0.000 0.197 550 D C 2.327 178.610 176.300 -0.030 0.000 0.987 550 D CA 1.315 55.286 54.000 -0.048 0.000 0.829 550 D CB -0.155 40.626 40.800 -0.032 0.000 0.961 550 D HN 0.262 nan 8.370 nan 0.000 0.460 551 R N 1.460 121.945 120.500 -0.026 0.000 2.066 551 R HA -0.018 4.432 4.340 0.183 0.000 0.232 551 R C 2.015 178.354 176.300 0.065 0.000 1.131 551 R CA 1.781 57.894 56.100 0.022 0.000 0.955 551 R CB -0.839 29.487 30.300 0.044 0.000 0.851 551 R HN 0.047 nan 8.270 nan 0.000 0.432 552 A N 0.710 123.566 122.820 0.061 0.000 1.902 552 A HA -0.184 4.245 4.320 0.183 0.000 0.217 552 A C 2.086 179.719 177.584 0.081 0.000 1.181 552 A CA 1.974 54.099 52.037 0.148 0.000 0.623 552 A CB -0.605 18.389 19.000 -0.009 0.000 0.818 552 A HN 0.346 nan 8.150 nan 0.000 0.443 553 K N 0.224 120.622 120.400 -0.003 0.000 2.152 553 K HA -0.094 4.335 4.320 0.183 0.000 0.206 553 K C 1.981 178.566 176.600 -0.026 0.000 1.048 553 K CA 1.540 57.806 56.287 -0.035 0.000 0.933 553 K CB -0.328 32.141 32.500 -0.052 0.000 0.721 553 K HN 0.469 nan 8.250 nan 0.000 0.447 554 R N -0.548 119.950 120.500 -0.004 0.000 2.241 554 R HA -0.056 4.393 4.340 0.183 0.000 0.224 554 R C 0.832 177.124 176.300 -0.014 0.000 1.101 554 R CA 0.993 57.089 56.100 -0.006 0.000 0.995 554 R CB -0.145 30.160 30.300 0.007 0.000 0.870 554 R HN 0.190 nan 8.270 nan 0.000 0.463 555 I N -0.376 120.189 120.570 -0.010 0.000 3.762 555 I HA 0.246 4.525 4.170 0.183 0.000 0.333 555 I C 0.469 176.533 176.117 -0.089 0.000 1.566 555 I CA 0.042 61.311 61.300 -0.051 0.000 1.129 555 I CB 0.509 38.454 38.000 -0.092 0.000 1.218 555 I HN 0.266 nan 8.210 nan 0.000 0.456 556 G N 0.701 109.443 108.800 -0.096 0.000 2.143 556 G HA2 -0.203 3.867 3.960 0.183 0.000 0.249 556 G HA3 -0.203 3.867 3.960 0.183 0.000 0.249 556 G C 0.314 175.144 174.900 -0.118 0.000 0.981 556 G CA 0.203 45.218 45.100 -0.142 0.000 0.665 556 G HN 0.297 nan 8.290 nan 0.000 0.528 557 V N 0.522 120.403 119.914 -0.054 0.000 2.585 557 V HA 0.334 4.564 4.120 0.183 0.000 0.296 557 V C 1.285 177.249 176.094 -0.216 0.000 1.035 557 V CA 1.627 63.881 62.300 -0.077 0.000 1.084 557 V CB 1.642 33.457 31.823 -0.014 0.000 0.953 557 V HN 0.569 nan 8.190 nan 0.000 0.483 558 Q N 3.192 122.749 119.800 -0.404 0.000 2.210 558 Q HA 0.287 4.737 4.340 0.183 0.000 0.252 558 Q C -0.768 174.635 176.000 -0.995 0.000 0.811 558 Q CA 0.061 55.408 55.803 -0.760 0.000 0.953 558 Q CB 0.753 28.835 28.738 -1.093 0.000 1.136 558 Q HN 0.670 nan 8.270 nan 0.000 0.491 559 F N 0.929 120.827 119.950 -0.086 0.000 2.539 559 F HA 0.568 5.204 4.527 0.182 0.000 0.318 559 F C -0.515 175.220 175.800 -0.109 0.000 1.135 559 F CA -0.827 57.105 58.000 -0.114 0.000 0.915 559 F CB 1.511 40.418 39.000 -0.154 0.000 1.176 559 F HN -0.144 nan 8.300 nan 0.000 0.440 560 I N 3.337 123.941 120.570 0.056 0.000 2.619 560 I HA 0.581 4.861 4.170 0.183 0.000 0.292 560 I C -1.395 174.732 176.117 0.016 0.000 1.100 560 I CA -1.189 60.133 61.300 0.037 0.000 1.043 560 I CB 2.491 40.549 38.000 0.098 0.000 1.239 560 I HN 0.386 nan 8.210 nan 0.000 0.420 561 V N 5.511 125.430 119.914 0.008 0.000 2.531 561 V HA 0.963 5.192 4.120 0.183 0.000 0.301 561 V C -0.844 175.241 176.094 -0.014 0.000 1.034 561 V CA 0.030 62.356 62.300 0.043 0.000 0.865 561 V CB 1.507 33.420 31.823 0.150 0.000 0.995 561 V HN 0.943 nan 8.190 nan 0.000 0.424 562 A N 6.892 129.710 122.820 -0.003 0.000 2.608 562 A HA 0.932 5.361 4.320 0.183 0.000 0.292 562 A C -3.317 174.272 177.584 0.009 0.000 1.066 562 A CA -1.346 50.618 52.037 -0.122 0.000 0.676 562 A CB 2.099 20.850 19.000 -0.417 0.000 1.277 562 A HN 0.624 nan 8.150 nan 0.000 0.413 563 P HA 0.292 nan 4.420 nan 0.000 0.272 563 P C 0.186 177.402 177.300 -0.141 0.000 1.223 563 P CA 0.050 63.107 63.100 -0.071 0.000 0.784 563 P CB 0.902 32.544 31.700 -0.097 0.000 0.923 564 S N 0.477 115.981 115.700 -0.327 0.000 2.686 564 S HA 0.659 5.239 4.470 0.183 0.000 0.270 564 S C 0.999 175.370 174.600 -0.382 0.000 1.194 564 S CA 0.219 57.995 58.200 -0.706 0.000 0.990 564 S CB 0.601 63.414 63.200 -0.646 0.000 1.029 564 S HN 0.790 nan 8.310 nan 0.000 0.560 565 G N -0.752 107.728 108.800 -0.534 0.000 2.935 565 G HA2 -0.057 4.013 3.960 0.183 0.000 0.213 565 G HA3 -0.057 4.013 3.960 0.183 0.000 0.213 565 G C 0.038 174.150 174.900 -1.312 0.000 0.984 565 G CA 0.077 44.738 45.100 -0.731 0.000 0.790 565 G HN 1.054 nan 8.290 nan 0.000 0.538 566 S N 0.508 115.492 115.700 -1.194 0.000 2.562 566 S HA 0.654 5.234 4.470 0.183 0.000 0.275 566 S C 1.740 176.068 174.600 -0.454 0.000 1.281 566 S CA 0.838 58.483 58.200 -0.925 0.000 1.045 566 S CB 1.351 64.285 63.200 -0.444 0.000 0.962 566 S HN 1.415 nan 8.310 nan 0.000 0.503 567 A N 3.713 126.333 122.820 -0.333 0.000 2.125 567 A HA 0.188 4.617 4.320 0.183 0.000 0.219 567 A C 1.680 179.187 177.584 -0.129 0.000 1.156 567 A CA 1.454 53.379 52.037 -0.187 0.000 0.671 567 A CB -0.674 18.254 19.000 -0.120 0.000 0.794 567 A HN 1.174 nan 8.150 nan 0.000 0.459 568 A N -0.729 122.002 122.820 -0.148 0.000 2.577 568 A HA 0.306 4.736 4.320 0.183 0.000 0.280 568 A C 0.914 178.486 177.584 -0.020 0.000 1.331 568 A CA 0.303 52.307 52.037 -0.055 0.000 0.935 568 A CB -0.241 18.747 19.000 -0.020 0.000 1.082 568 A HN 0.288 nan 8.150 nan 0.000 0.525 569 D N 0.825 121.194 120.400 -0.052 0.000 2.133 569 D HA -0.173 4.577 4.640 0.183 0.000 0.195 569 D C 1.539 177.902 176.300 0.105 0.000 0.997 569 D CA 1.307 55.334 54.000 0.045 0.000 0.840 569 D CB 0.140 40.926 40.800 -0.023 0.000 0.947 569 D HN 0.423 nan 8.370 nan 0.000 0.452 570 E N 0.183 120.413 120.200 0.051 0.000 2.150 570 E HA -0.078 4.382 4.350 0.183 0.000 0.193 570 E C 2.383 179.011 176.600 0.048 0.000 0.985 570 E CA 0.205 56.634 56.400 0.048 0.000 0.814 570 E CB -0.138 29.577 29.700 0.026 0.000 0.752 570 E HN 0.208 nan 8.360 nan 0.000 0.466 571 V N 0.732 120.679 119.914 0.054 0.000 2.548 571 V HA -0.156 4.074 4.120 0.183 0.000 0.249 571 V C 2.468 178.601 176.094 0.064 0.000 1.055 571 V CA 0.919 63.255 62.300 0.060 0.000 1.065 571 V CB -0.327 31.546 31.823 0.083 0.000 0.681 571 V HN 0.055 nan 8.190 nan 0.000 0.462 572 V N -0.115 119.852 119.914 0.087 0.000 2.358 572 V HA -0.207 4.023 4.120 0.183 0.000 0.246 572 V C 2.171 178.296 176.094 0.051 0.000 1.047 572 V CA 1.946 64.303 62.300 0.096 0.000 1.035 572 V CB -0.380 31.556 31.823 0.188 0.000 0.658 572 V HN 0.431 nan 8.190 nan 0.000 0.452 573 I N -0.037 120.558 120.570 0.043 0.000 2.252 573 I HA -0.245 4.035 4.170 0.183 0.000 0.245 573 I C 2.601 178.714 176.117 -0.006 0.000 1.102 573 I CA 1.833 63.128 61.300 -0.009 0.000 1.385 573 I CB -0.282 37.719 38.000 0.001 0.000 1.064 573 I HN 0.399 nan 8.210 nan 0.000 0.414 574 E N 1.242 121.447 120.200 0.009 0.000 2.077 574 E HA -0.255 4.205 4.350 0.183 0.000 0.193 574 E C 2.278 178.875 176.600 -0.004 0.000 0.989 574 E CA 1.332 57.734 56.400 0.004 0.000 0.800 574 E CB -0.033 29.674 29.700 0.012 0.000 0.746 574 E HN 0.476 nan 8.360 nan 0.000 0.452 575 A N 0.548 123.369 122.820 0.001 0.000 1.908 575 A HA -0.226 4.203 4.320 0.183 0.000 0.218 575 A C 2.494 180.062 177.584 -0.027 0.000 1.181 575 A CA 1.564 53.595 52.037 -0.010 0.000 0.627 575 A CB -1.018 17.979 19.000 -0.005 0.000 0.818 575 A HN 0.538 nan 8.150 nan 0.000 0.445 576 C N -0.376 118.906 119.300 -0.030 0.000 2.429 576 C HA -0.089 4.481 4.460 0.183 0.000 0.277 576 C C 2.688 177.649 174.990 -0.049 0.000 1.262 576 C CA 1.114 60.104 59.018 -0.047 0.000 1.733 576 C CB -1.469 26.240 27.740 -0.050 0.000 2.010 576 C HN 0.636 nan 8.230 nan 0.000 0.483 577 N N 1.030 119.708 118.700 -0.036 0.000 2.120 577 N HA -0.135 4.715 4.740 0.183 0.000 0.188 577 N C 1.740 177.230 175.510 -0.034 0.000 1.024 577 N CA 1.668 54.698 53.050 -0.033 0.000 0.852 577 N CB -0.590 37.884 38.487 -0.022 0.000 1.003 577 N HN 0.784 nan 8.380 nan 0.000 0.424 578 E N 0.377 120.559 120.200 -0.029 0.000 2.274 578 E HA -0.050 4.409 4.350 0.183 0.000 0.194 578 E C 1.251 177.829 176.600 -0.038 0.000 0.996 578 E CA 0.600 56.983 56.400 -0.028 0.000 0.840 578 E CB -0.183 29.505 29.700 -0.021 0.000 0.772 578 E HN 0.296 nan 8.360 nan 0.000 0.491 579 L N 0.600 121.794 121.223 -0.048 0.000 2.700 579 L HA 0.325 4.775 4.340 0.183 0.000 0.234 579 L C 0.991 177.812 176.870 -0.082 0.000 1.156 579 L CA 0.155 54.958 54.840 -0.061 0.000 0.946 579 L CB 0.290 42.311 42.059 -0.063 0.000 1.216 579 L HN 0.398 nan 8.230 nan 0.000 0.493 580 G N 1.416 110.170 108.800 -0.078 0.000 2.221 580 G HA2 -0.286 3.784 3.960 0.183 0.000 0.265 580 G HA3 -0.286 3.784 3.960 0.183 0.000 0.265 580 G C 0.048 174.862 174.900 -0.142 0.000 1.041 580 G CA 0.081 45.124 45.100 -0.095 0.000 0.807 580 G HN 0.344 nan 8.290 nan 0.000 0.502 581 I N 0.531 121.022 120.570 -0.131 0.000 2.412 581 I HA 0.339 4.619 4.170 0.183 0.000 0.296 581 I C 0.496 176.546 176.117 -0.113 0.000 0.987 581 I CA -0.657 60.542 61.300 -0.168 0.000 1.180 581 I CB 1.872 39.789 38.000 -0.138 0.000 1.340 581 I HN 0.003 nan 8.210 nan 0.000 0.455 582 T N 6.985 121.474 114.554 -0.107 0.000 2.743 582 T HA 0.409 4.869 4.350 0.183 0.000 0.293 582 T C -0.481 174.219 174.700 -0.001 0.000 0.945 582 T CA -0.220 61.879 62.100 -0.001 0.000 1.030 582 T CB 0.645 69.600 68.868 0.145 0.000 0.912 582 T HN 0.193 nan 8.240 nan 0.000 0.483 583 L N 5.256 126.459 121.223 -0.034 0.000 2.322 583 L HA 0.699 5.148 4.340 0.183 0.000 0.281 583 L C -1.317 175.509 176.870 -0.073 0.000 1.014 583 L CA -0.640 54.159 54.840 -0.069 0.000 0.815 583 L CB 1.112 43.083 42.059 -0.147 0.000 1.247 583 L HN 0.494 nan 8.230 nan 0.000 0.421 584 I N 4.456 125.006 120.570 -0.032 0.000 2.362 584 I HA 0.346 4.626 4.170 0.183 0.000 0.289 584 I C -0.424 175.742 176.117 0.082 0.000 0.994 584 I CA -0.066 61.259 61.300 0.043 0.000 1.158 584 I CB 1.261 39.348 38.000 0.145 0.000 1.315 584 I HN 0.540 nan 8.210 nan 0.000 0.451 585 H N 4.070 123.165 119.070 0.041 0.000 2.519 585 H HA 0.483 5.148 4.556 0.182 0.000 0.316 585 H C 0.157 175.489 175.328 0.005 0.000 1.065 585 H CA -0.551 55.505 56.048 0.014 0.000 1.264 585 H CB 1.129 30.893 29.762 0.004 0.000 1.413 585 H HN 0.675 nan 8.280 nan 0.000 0.465 586 T N -0.086 114.533 114.554 0.109 0.000 2.922 586 T HA 0.135 4.594 4.350 0.183 0.000 0.281 586 T C 0.600 175.279 174.700 -0.034 0.000 1.005 586 T CA -1.034 61.080 62.100 0.023 0.000 0.982 586 T CB 1.443 70.310 68.868 -0.003 0.000 1.158 586 T HN 0.665 nan 8.240 nan 0.000 0.566 587 N N -0.164 118.505 118.700 -0.051 0.000 2.416 587 N HA 0.210 5.060 4.740 0.183 0.000 0.267 587 N C -1.050 174.412 175.510 -0.080 0.000 1.294 587 N CA -0.282 52.728 53.050 -0.068 0.000 0.891 587 N CB 0.191 38.643 38.487 -0.059 0.000 1.238 587 N HN 0.469 nan 8.380 nan 0.000 0.508 588 L N 1.563 122.732 121.223 -0.090 0.000 2.353 588 L HA 0.441 4.891 4.340 0.183 0.000 0.270 588 L C -0.364 176.419 176.870 -0.145 0.000 1.003 588 L CA -0.526 54.249 54.840 -0.109 0.000 0.862 588 L CB 0.932 42.929 42.059 -0.103 0.000 1.221 588 L HN -0.011 nan 8.230 nan 0.000 0.430 589 R N 3.912 124.301 120.500 -0.185 0.000 2.459 589 R HA 0.524 4.974 4.340 0.183 0.000 0.281 589 R C -0.549 175.595 176.300 -0.260 0.000 1.050 589 R CA -0.402 55.520 56.100 -0.296 0.000 1.055 589 R CB 0.731 30.779 30.300 -0.420 0.000 1.045 589 R HN 0.811 nan 8.270 nan 0.000 0.495 590 L N 4.862 125.920 121.223 -0.275 0.000 3.186 590 L HA 0.311 4.760 4.340 0.183 0.000 0.292 590 L C -0.764 176.101 176.870 -0.010 0.000 1.303 590 L CA -0.581 54.168 54.840 -0.151 0.000 0.940 590 L CB 0.143 42.121 42.059 -0.135 0.000 1.358 590 L HN 0.481 nan 8.230 nan 0.000 0.581 591 F N 0.196 120.101 119.950 -0.075 0.000 2.553 591 F HA 0.207 4.839 4.527 0.176 0.000 0.356 591 F C 0.706 176.475 175.800 -0.051 0.000 1.142 591 F CA -0.187 57.764 58.000 -0.081 0.000 1.322 591 F CB 0.085 39.065 39.000 -0.032 0.000 1.126 591 F HN 0.133 nan 8.300 nan 0.000 0.599 592 H N 2.589 121.592 119.070 -0.113 0.000 2.877 592 H HA 0.466 5.087 4.556 0.109 0.000 0.347 592 H C -1.226 173.877 175.328 -0.374 0.000 1.042 592 H CA -0.401 55.557 56.048 -0.149 0.000 1.276 592 H CB 0.711 30.410 29.762 -0.105 0.000 1.681 592 H HN 0.564 nan 8.280 nan 0.000 0.521 593 H N 0.000 118.904 119.070 -0.277 0.000 2.539 593 H HA 0.000 4.659 4.556 0.172 0.000 0.296 593 H CA 0.000 55.898 56.048 -0.249 0.000 1.023 593 H CB 0.000 29.696 29.762 -0.110 0.000 1.292 593 H HN 0.000 nan 8.280 nan 0.000 0.496