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 2iu3_1_B 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 0.000 176.306 176.300 0.010 0.000 0.893 4 R CA 0.000 56.108 56.100 0.013 0.000 0.921 4 R CB 0.000 30.312 30.300 0.020 0.000 0.687 5 Q N 2.844 122.648 119.800 0.006 0.000 2.315 5 Q HA 0.080 4.420 4.340 -0.000 0.000 0.289 5 Q C -0.654 175.347 176.000 0.002 0.000 1.044 5 Q CA 0.137 55.940 55.803 -0.000 0.000 0.920 5 Q CB 1.075 29.811 28.738 -0.005 0.000 1.214 5 Q HN 0.414 nan 8.270 nan 0.000 0.392 6 Q N 2.356 122.155 119.800 -0.003 0.000 2.260 6 Q HA 0.405 4.745 4.340 -0.000 0.000 0.242 6 Q C -0.073 175.919 176.000 -0.013 0.000 0.932 6 Q CA -0.422 55.379 55.803 -0.002 0.000 0.891 6 Q CB 1.056 29.792 28.738 -0.003 0.000 1.222 6 Q HN 0.712 nan 8.270 nan 0.000 0.453 7 L N -0.936 120.278 121.223 -0.014 0.000 2.790 7 L HA 0.989 5.329 4.340 -0.000 0.000 0.219 7 L C -0.422 176.429 176.870 -0.032 0.000 2.006 7 L CA -1.165 53.660 54.840 -0.025 0.000 2.500 7 L CB 0.397 42.442 42.059 -0.022 0.000 2.732 7 L HN 0.585 nan 8.230 nan 0.000 0.605 8 A N 0.300 123.099 122.820 -0.036 0.000 2.580 8 A HA 0.563 4.883 4.320 -0.000 0.000 0.301 8 A C -1.883 175.680 177.584 -0.035 0.000 1.054 8 A CA -0.318 51.698 52.037 -0.035 0.000 0.751 8 A CB 1.238 20.207 19.000 -0.053 0.000 1.275 8 A HN 0.461 nan 8.150 nan 0.000 0.403 9 L N 2.342 123.548 121.223 -0.029 0.000 2.322 9 L HA 0.848 5.188 4.340 -0.000 0.000 0.279 9 L C -1.507 175.355 176.870 -0.014 0.000 1.036 9 L CA -0.709 54.111 54.840 -0.034 0.000 0.807 9 L CB 1.265 43.292 42.059 -0.054 0.000 1.226 9 L HN 0.713 nan 8.230 nan 0.000 0.433 10 L N 3.616 124.830 121.223 -0.015 0.000 2.409 10 L HA 0.479 4.819 4.340 -0.000 0.000 0.272 10 L C -0.195 176.675 176.870 0.000 0.000 0.980 10 L CA -0.095 54.747 54.840 0.004 0.000 0.826 10 L CB 1.864 43.925 42.059 0.003 0.000 1.268 10 L HN 0.638 nan 8.230 nan 0.000 0.407 11 S N 3.022 118.729 115.700 0.012 0.000 2.479 11 S HA 0.620 5.090 4.470 -0.000 0.000 0.169 11 S C -1.058 173.558 174.600 0.027 0.000 1.181 11 S CA -0.443 57.764 58.200 0.010 0.000 1.169 11 S CB 0.526 63.724 63.200 -0.004 0.000 1.384 11 S HN 0.659 nan 8.310 nan 0.000 0.412 12 V N 2.152 122.090 119.914 0.039 0.000 2.823 12 V HA 0.837 4.957 4.120 -0.000 0.000 0.312 12 V C 0.995 177.123 176.094 0.056 0.000 1.072 12 V CA 0.024 62.358 62.300 0.057 0.000 0.937 12 V CB 1.489 33.363 31.823 0.086 0.000 1.013 12 V HN 0.801 nan 8.190 nan 0.000 0.430 13 S N 1.669 117.414 115.700 0.075 0.000 2.388 13 S HA 0.070 4.540 4.470 -0.000 0.000 0.223 13 S C 0.801 175.449 174.600 0.079 0.000 1.034 13 S CA 0.984 59.231 58.200 0.079 0.000 0.963 13 S CB -0.300 62.993 63.200 0.155 0.000 0.827 13 S HN 0.970 nan 8.310 nan 0.000 0.481 14 E N 1.228 121.482 120.200 0.090 0.000 2.044 14 E HA 0.415 4.765 4.350 -0.000 0.000 0.282 14 E C 0.064 176.719 176.600 0.092 0.000 1.031 14 E CA -0.252 56.196 56.400 0.080 0.000 0.824 14 E CB 1.071 30.806 29.700 0.058 0.000 1.076 14 E HN 0.131 nan 8.360 nan 0.000 0.395 15 K N 2.640 123.087 120.400 0.078 0.000 2.366 15 K HA 0.244 4.564 4.320 -0.000 0.000 0.198 15 K C 0.271 176.938 176.600 0.112 0.000 1.044 15 K CA 0.571 56.910 56.287 0.085 0.000 0.973 15 K CB -0.014 32.516 32.500 0.050 0.000 0.767 15 K HN 0.513 nan 8.250 nan 0.000 0.475 16 A N 0.515 123.396 122.820 0.101 0.000 2.584 16 A HA 0.347 4.667 4.320 -0.000 0.000 0.239 16 A C 1.525 179.237 177.584 0.212 0.000 1.043 16 A CA 0.988 53.087 52.037 0.104 0.000 0.756 16 A CB -0.789 18.246 19.000 0.058 0.000 0.963 16 A HN 0.507 nan 8.150 nan 0.000 0.511 17 G N 1.680 110.594 108.800 0.190 0.000 3.909 17 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 17 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 17 G C 1.135 176.105 174.900 0.116 0.000 1.404 17 G CA 0.805 46.077 45.100 0.287 0.000 0.905 17 G HN 2.172 nan 8.290 nan 0.000 0.589 18 L N 1.654 122.902 121.223 0.041 0.000 2.331 18 L HA -0.347 3.993 4.340 -0.000 0.000 0.245 18 L C 3.003 179.799 176.870 -0.123 0.000 1.126 18 L CA 4.343 59.044 54.840 -0.232 0.000 0.834 18 L CB -1.519 40.524 42.059 -0.026 0.000 0.982 18 L HN 1.289 nan 8.230 nan 0.000 0.432 19 V N -0.805 119.088 119.914 -0.036 0.000 2.232 19 V HA -0.432 3.688 4.120 -0.000 0.000 0.254 19 V C 2.494 178.574 176.094 -0.023 0.000 1.058 19 V CA 2.660 64.946 62.300 -0.023 0.000 1.048 19 V CB -1.453 30.369 31.823 -0.001 0.000 0.668 19 V HN 0.759 nan 8.190 nan 0.000 0.462 20 E N 0.089 120.293 120.200 0.007 0.000 2.065 20 E HA -0.262 4.088 4.350 -0.000 0.000 0.201 20 E C 1.827 178.445 176.600 0.031 0.000 1.016 20 E CA 2.033 58.449 56.400 0.025 0.000 0.818 20 E CB -0.586 29.150 29.700 0.060 0.000 0.749 20 E HN 0.493 nan 8.360 nan 0.000 0.453 21 F N 0.800 120.638 119.950 -0.188 0.000 2.011 21 F HA -0.250 4.277 4.527 -0.000 0.000 0.296 21 F C 2.244 177.930 175.800 -0.190 0.000 1.144 21 F CA 2.139 59.992 58.000 -0.245 0.000 1.185 21 F CB -1.293 37.335 39.000 -0.620 0.000 0.961 21 F HN 0.130 nan 8.300 nan 0.000 0.485 22 A N 0.635 123.339 122.820 -0.194 0.000 1.881 22 A HA -0.318 4.002 4.320 -0.000 0.000 0.219 22 A C 2.379 179.845 177.584 -0.197 0.000 1.215 22 A CA 2.475 54.377 52.037 -0.225 0.000 0.648 22 A CB -1.089 17.839 19.000 -0.120 0.000 0.832 22 A HN 0.519 nan 8.150 nan 0.000 0.455 23 R N -0.573 119.854 120.500 -0.122 0.000 2.154 23 R HA -0.180 4.160 4.340 -0.000 0.000 0.236 23 R C 2.594 178.821 176.300 -0.121 0.000 1.121 23 R CA 2.002 58.046 56.100 -0.093 0.000 0.915 23 R CB -0.864 29.403 30.300 -0.054 0.000 0.856 23 R HN 0.583 nan 8.270 nan 0.000 0.431 24 S N 1.414 117.040 115.700 -0.124 0.000 2.390 24 S HA -0.216 4.254 4.470 -0.000 0.000 0.234 24 S C 2.028 176.519 174.600 -0.182 0.000 1.063 24 S CA 2.103 60.225 58.200 -0.129 0.000 1.108 24 S CB -0.542 62.597 63.200 -0.101 0.000 0.975 24 S HN 0.496 nan 8.310 nan 0.000 0.442 25 L N 0.937 121.974 121.223 -0.310 0.000 2.341 25 L HA 0.181 4.521 4.340 -0.000 0.000 0.214 25 L C 1.923 178.677 176.870 -0.194 0.000 1.115 25 L CA 1.600 56.264 54.840 -0.293 0.000 0.820 25 L CB -0.737 41.042 42.059 -0.466 0.000 0.944 25 L HN 0.203 nan 8.230 nan 0.000 0.452 26 N N 2.016 120.610 118.700 -0.176 0.000 2.120 26 N HA -0.188 4.552 4.740 -0.000 0.000 0.188 26 N C 1.722 177.178 175.510 -0.091 0.000 1.024 26 N CA 1.696 54.675 53.050 -0.118 0.000 0.852 26 N CB -0.289 38.138 38.487 -0.100 0.000 1.003 26 N HN 0.440 nan 8.380 nan 0.000 0.424 27 A N -0.355 122.411 122.820 -0.090 0.000 2.247 27 A HA 0.131 4.451 4.320 -0.000 0.000 0.205 27 A C 0.940 178.487 177.584 -0.061 0.000 1.261 27 A CA 0.417 52.414 52.037 -0.066 0.000 0.853 27 A CB -0.693 18.271 19.000 -0.060 0.000 0.793 27 A HN 0.457 nan 8.150 nan 0.000 0.487 28 L N -1.918 119.263 121.223 -0.071 0.000 3.184 28 L HA 0.346 4.686 4.340 -0.000 0.000 0.283 28 L C 1.132 177.973 176.870 -0.049 0.000 1.218 28 L CA 0.270 55.075 54.840 -0.058 0.000 1.028 28 L CB 0.238 42.255 42.059 -0.071 0.000 1.400 28 L HN 0.428 nan 8.230 nan 0.000 0.591 29 G N 1.514 110.285 108.800 -0.048 0.000 2.248 29 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.252 29 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.252 29 G C -0.416 174.460 174.900 -0.040 0.000 1.085 29 G CA -0.181 44.896 45.100 -0.038 0.000 0.845 29 G HN 0.201 nan 8.290 nan 0.000 0.494 30 L N -0.057 121.134 121.223 -0.053 0.000 2.346 30 L HA 0.663 5.003 4.340 -0.000 0.000 0.276 30 L C 1.227 178.066 176.870 -0.052 0.000 1.006 30 L CA -0.702 54.105 54.840 -0.054 0.000 0.817 30 L CB 2.089 44.105 42.059 -0.073 0.000 1.272 30 L HN 0.224 nan 8.230 nan 0.000 0.421 31 G N 4.635 113.411 108.800 -0.039 0.000 2.789 31 G HA2 0.216 4.176 3.960 -0.000 0.000 0.281 31 G HA3 0.216 4.176 3.960 -0.000 0.000 0.281 31 G C 0.285 175.159 174.900 -0.043 0.000 0.708 31 G CA -0.429 44.650 45.100 -0.035 0.000 2.067 31 G HN 0.438 nan 8.290 nan 0.000 0.554 32 L N 1.703 122.894 121.223 -0.053 0.000 2.601 32 L HA 0.108 4.448 4.340 -0.000 0.000 0.277 32 L C 0.395 177.239 176.870 -0.043 0.000 1.219 32 L CA 0.677 55.483 54.840 -0.056 0.000 0.915 32 L CB 0.033 42.055 42.059 -0.062 0.000 1.160 32 L HN 0.293 nan 8.230 nan 0.000 0.494 33 I N 2.857 123.402 120.570 -0.042 0.000 2.607 33 I HA 0.740 4.910 4.170 -0.000 0.000 0.290 33 I C -0.125 175.970 176.117 -0.037 0.000 1.129 33 I CA -0.247 61.030 61.300 -0.039 0.000 1.042 33 I CB 2.032 40.007 38.000 -0.042 0.000 1.242 33 I HN 0.825 nan 8.210 nan 0.000 0.421 34 A N 3.988 126.789 122.820 -0.033 0.000 2.588 34 A HA 0.932 5.252 4.320 -0.000 0.000 0.309 34 A C -1.153 176.416 177.584 -0.026 0.000 1.173 34 A CA -0.444 51.577 52.037 -0.028 0.000 0.631 34 A CB 1.947 20.935 19.000 -0.021 0.000 1.364 34 A HN 0.597 nan 8.150 nan 0.000 0.526 35 S N -2.530 113.158 115.700 -0.019 0.000 2.633 35 S HA 0.656 5.126 4.470 -0.000 0.000 0.271 35 S C -0.073 174.521 174.600 -0.010 0.000 1.112 35 S CA 0.861 59.052 58.200 -0.016 0.000 0.828 35 S CB 0.609 63.798 63.200 -0.018 0.000 1.086 35 S HN 3.029 nan 8.310 nan 0.000 0.461 36 G N 1.347 110.142 108.800 -0.008 0.000 2.615 36 G HA2 0.091 4.051 3.960 -0.000 0.000 0.218 36 G HA3 0.091 4.051 3.960 -0.000 0.000 0.218 36 G C 0.834 175.730 174.900 -0.007 0.000 1.339 36 G CA 0.210 45.307 45.100 -0.006 0.000 0.884 36 G HN 1.889 nan 8.290 nan 0.000 0.559 37 G N -1.073 107.723 108.800 -0.008 0.000 2.559 37 G HA2 0.210 4.170 3.960 -0.000 0.000 0.216 37 G HA3 0.210 4.170 3.960 -0.000 0.000 0.216 37 G C 1.653 176.551 174.900 -0.004 0.000 1.126 37 G CA 2.349 47.445 45.100 -0.008 0.000 0.778 37 G HN 1.119 nan 8.290 nan 0.000 0.543 38 T N 1.514 116.067 114.554 -0.002 0.000 2.698 38 T HA 0.066 4.416 4.350 -0.000 0.000 0.260 38 T C 2.869 177.566 174.700 -0.005 0.000 1.044 38 T CA 1.322 63.423 62.100 0.002 0.000 1.149 38 T CB -0.369 68.501 68.868 0.005 0.000 0.864 38 T HN 0.314 nan 8.240 nan 0.000 0.419 39 A N 1.551 124.366 122.820 -0.008 0.000 1.877 39 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 39 A C 2.560 180.137 177.584 -0.011 0.000 1.186 39 A CA 2.127 54.156 52.037 -0.013 0.000 0.620 39 A CB -1.474 17.517 19.000 -0.014 0.000 0.822 39 A HN 0.465 nan 8.150 nan 0.000 0.443 40 T N 0.584 115.132 114.554 -0.009 0.000 2.624 40 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 40 T C 2.108 176.803 174.700 -0.008 0.000 1.041 40 T CA 2.170 64.265 62.100 -0.009 0.000 1.159 40 T CB -0.528 68.335 68.868 -0.008 0.000 0.863 40 T HN 0.640 nan 8.240 nan 0.000 0.434 41 A N 0.217 123.033 122.820 -0.007 0.000 2.066 41 A HA 0.168 4.488 4.320 -0.000 0.000 0.218 41 A C 2.265 179.844 177.584 -0.009 0.000 1.157 41 A CA 0.860 52.894 52.037 -0.005 0.000 0.670 41 A CB -0.546 18.453 19.000 -0.000 0.000 0.804 41 A HN 0.481 nan 8.150 nan 0.000 0.453 42 L N -1.709 119.507 121.223 -0.012 0.000 2.102 42 L HA -0.029 4.311 4.340 -0.000 0.000 0.202 42 L C 2.722 179.581 176.870 -0.018 0.000 1.076 42 L CA 0.911 55.740 54.840 -0.018 0.000 0.761 42 L CB -0.378 41.667 42.059 -0.023 0.000 0.921 42 L HN 0.267 nan 8.230 nan 0.000 0.444 43 R N 0.264 120.754 120.500 -0.016 0.000 2.103 43 R HA -0.209 4.131 4.340 -0.000 0.000 0.242 43 R C 1.864 178.156 176.300 -0.013 0.000 1.142 43 R CA 1.994 58.085 56.100 -0.015 0.000 0.960 43 R CB -0.299 29.993 30.300 -0.013 0.000 0.858 43 R HN 0.350 nan 8.270 nan 0.000 0.439 44 D N -0.064 120.330 120.400 -0.011 0.000 2.144 44 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 44 D C 1.558 177.852 176.300 -0.010 0.000 0.984 44 D CA 1.425 55.420 54.000 -0.009 0.000 0.834 44 D CB -0.288 40.508 40.800 -0.007 0.000 0.955 44 D HN 0.301 nan 8.370 nan 0.000 0.465 45 A N 0.074 122.887 122.820 -0.012 0.000 2.225 45 A HA 0.227 4.547 4.320 -0.000 0.000 0.215 45 A C 1.778 179.352 177.584 -0.016 0.000 1.164 45 A CA 1.390 53.419 52.037 -0.014 0.000 0.710 45 A CB -0.605 18.384 19.000 -0.018 0.000 0.780 45 A HN 0.315 nan 8.150 nan 0.000 0.473 46 G N -1.578 107.213 108.800 -0.016 0.000 2.182 46 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.248 46 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.248 46 G C -0.053 174.835 174.900 -0.020 0.000 1.042 46 G CA 0.290 45.381 45.100 -0.016 0.000 0.775 46 G HN 0.455 nan 8.290 nan 0.000 0.501 47 L N 0.866 122.075 121.223 -0.023 0.000 2.379 47 L HA 0.479 4.819 4.340 -0.000 0.000 0.269 47 L C -1.297 175.557 176.870 -0.028 0.000 1.084 47 L CA -2.204 52.618 54.840 -0.029 0.000 0.802 47 L CB 1.202 43.239 42.059 -0.037 0.000 1.175 47 L HN -0.014 nan 8.230 nan 0.000 0.448 48 P HA 0.053 nan 4.420 nan 0.000 0.260 48 P C -0.776 176.506 177.300 -0.029 0.000 1.651 48 P CA 0.123 63.207 63.100 -0.027 0.000 1.139 48 P CB 0.800 32.484 31.700 -0.028 0.000 1.756 49 V N 5.285 125.184 119.914 -0.026 0.000 2.378 49 V HA 0.378 4.498 4.120 -0.000 0.000 0.288 49 V C -0.001 176.079 176.094 -0.023 0.000 1.016 49 V CA -0.915 61.369 62.300 -0.027 0.000 0.840 49 V CB 1.374 33.181 31.823 -0.026 0.000 0.994 49 V HN 0.330 nan 8.190 nan 0.000 0.431 50 R N 4.267 124.753 120.500 -0.024 0.000 2.428 50 R HA 0.376 4.716 4.340 -0.000 0.000 0.294 50 R C -0.531 175.754 176.300 -0.025 0.000 1.000 50 R CA -0.686 55.400 56.100 -0.022 0.000 0.960 50 R CB 1.358 31.646 30.300 -0.020 0.000 1.076 50 R HN 0.761 nan 8.270 nan 0.000 0.475 51 D N 1.379 121.765 120.400 -0.023 0.000 2.304 51 D HA 0.012 4.652 4.640 -0.000 0.000 0.247 51 D C 1.308 177.587 176.300 -0.035 0.000 1.089 51 D CA -0.144 53.841 54.000 -0.026 0.000 0.910 51 D CB 1.739 42.528 40.800 -0.020 0.000 1.199 51 D HN 0.137 nan 8.370 nan 0.000 0.426 52 V N 3.141 123.030 119.914 -0.043 0.000 2.278 52 V HA -0.327 3.793 4.120 -0.000 0.000 0.251 52 V C 2.455 178.507 176.094 -0.070 0.000 1.062 52 V CA 2.201 64.462 62.300 -0.064 0.000 1.038 52 V CB -0.821 30.962 31.823 -0.067 0.000 0.646 52 V HN 0.577 nan 8.190 nan 0.000 0.447 53 S N 0.189 115.861 115.700 -0.046 0.000 2.372 53 S HA -0.340 4.130 4.470 -0.000 0.000 0.227 53 S C 1.667 176.245 174.600 -0.035 0.000 1.044 53 S CA 2.048 60.228 58.200 -0.034 0.000 1.050 53 S CB -0.757 62.436 63.200 -0.012 0.000 0.901 53 S HN 0.670 nan 8.310 nan 0.000 0.447 54 D N 0.815 121.198 120.400 -0.028 0.000 2.203 54 D HA -0.101 4.539 4.640 -0.000 0.000 0.199 54 D C 1.592 177.883 176.300 -0.015 0.000 0.997 54 D CA 0.878 54.868 54.000 -0.017 0.000 0.863 54 D CB -0.123 40.668 40.800 -0.015 0.000 0.928 54 D HN 0.221 nan 8.370 nan 0.000 0.458 55 L N -0.544 120.654 121.223 -0.040 0.000 2.249 55 L HA 0.064 4.404 4.340 -0.000 0.000 0.207 55 L C 2.438 179.262 176.870 -0.076 0.000 1.090 55 L CA 1.247 56.061 54.840 -0.044 0.000 0.802 55 L CB -1.504 40.511 42.059 -0.074 0.000 0.947 55 L HN 0.194 nan 8.230 nan 0.000 0.453 56 T N -1.787 112.670 114.554 -0.162 0.000 3.010 56 T HA 0.086 4.436 4.350 -0.000 0.000 0.252 56 T C 1.440 176.099 174.700 -0.067 0.000 1.047 56 T CA 0.954 62.851 62.100 -0.339 0.000 1.140 56 T CB -0.015 68.473 68.868 -0.634 0.000 0.885 56 T HN 0.406 nan 8.240 nan 0.000 0.464 57 G N 1.028 109.818 108.800 -0.017 0.000 2.249 57 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.273 57 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.273 57 G C -0.179 174.727 174.900 0.011 0.000 1.036 57 G CA 0.242 45.349 45.100 0.012 0.000 0.824 57 G HN 0.609 nan 8.290 nan 0.000 0.504 58 F N 1.133 121.031 119.950 -0.087 0.000 2.436 58 F HA 0.541 5.068 4.527 0.000 0.000 0.340 58 F C -1.413 174.374 175.800 -0.022 0.000 1.113 58 F CA -2.421 55.554 58.000 -0.041 0.000 1.022 58 F CB 1.876 40.842 39.000 -0.056 0.000 1.128 58 F HN -0.062 nan 8.300 nan 0.000 0.466 59 P HA -0.127 nan 4.420 nan 0.000 0.213 59 P C -0.653 176.712 177.300 0.108 0.000 1.492 59 P CA 0.218 63.294 63.100 -0.040 0.000 1.034 59 P CB -0.425 31.191 31.700 -0.140 0.000 1.816 60 E N 2.396 122.672 120.200 0.128 0.000 3.212 60 E HA -0.162 4.188 4.350 -0.000 0.000 0.266 60 E C 1.055 177.712 176.600 0.096 0.000 0.836 60 E CA 0.929 57.397 56.400 0.114 0.000 1.012 60 E CB -0.510 29.226 29.700 0.060 0.000 0.777 60 E HN 0.479 nan 8.360 nan 0.000 0.505 61 M N -0.399 119.276 119.600 0.125 0.000 2.649 61 M HA 0.368 4.848 4.480 -0.000 0.000 0.294 61 M C 0.937 177.281 176.300 0.073 0.000 1.206 61 M CA -0.870 54.487 55.300 0.096 0.000 0.928 61 M CB 1.002 33.674 32.600 0.120 0.000 1.571 61 M HN 0.399 nan 8.290 nan 0.000 0.501 62 L N -0.308 120.951 121.223 0.060 0.000 4.625 62 L HA -0.254 4.086 4.340 -0.000 0.000 0.428 62 L C 0.901 177.797 176.870 0.043 0.000 1.129 62 L CA 0.898 55.768 54.840 0.049 0.000 0.978 62 L CB -2.542 39.548 42.059 0.051 0.000 2.043 62 L HN 1.310 nan 8.230 nan 0.000 0.847 63 G N -1.162 107.663 108.800 0.041 0.000 2.147 63 G HA2 0.069 4.029 3.960 -0.000 0.000 0.244 63 G HA3 0.069 4.029 3.960 -0.000 0.000 0.244 63 G C 1.031 175.951 174.900 0.033 0.000 1.005 63 G CA 0.517 45.637 45.100 0.033 0.000 0.713 63 G HN 1.809 nan 8.290 nan 0.000 0.515 64 G N -0.981 107.843 108.800 0.040 0.000 2.153 64 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.252 64 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.252 64 G C 1.116 176.036 174.900 0.033 0.000 0.994 64 G CA 1.280 46.401 45.100 0.036 0.000 0.698 64 G HN 0.957 nan 8.290 nan 0.000 0.521 65 R N -1.182 119.341 120.500 0.038 0.000 2.200 65 R HA 0.110 4.450 4.340 -0.000 0.000 0.234 65 R C 0.882 177.206 176.300 0.040 0.000 1.127 65 R CA 1.328 57.453 56.100 0.042 0.000 0.989 65 R CB 0.042 30.370 30.300 0.047 0.000 0.869 65 R HN 0.386 nan 8.270 nan 0.000 0.459 66 V N 0.421 120.355 119.914 0.034 0.000 2.680 66 V HA 0.225 4.345 4.120 -0.000 0.000 0.309 66 V C 0.222 176.327 176.094 0.019 0.000 1.052 66 V CA -0.498 61.817 62.300 0.025 0.000 0.908 66 V CB 1.988 33.820 31.823 0.015 0.000 1.001 66 V HN 0.322 nan 8.190 nan 0.000 0.431 67 K N 0.667 121.071 120.400 0.006 0.000 2.256 67 K HA -0.057 4.263 4.320 -0.000 0.000 0.130 67 K C 1.222 177.800 176.600 -0.036 0.000 2.157 67 K CA 0.612 56.893 56.287 -0.011 0.000 1.240 67 K CB -0.040 32.458 32.500 -0.004 0.000 2.378 67 K HN 0.607 nan 8.250 nan 0.000 0.491 68 T N 0.534 115.073 114.554 -0.024 0.000 3.051 68 T HA 0.262 4.612 4.350 -0.000 0.000 0.255 68 T C 1.090 175.784 174.700 -0.009 0.000 1.085 68 T CA -0.165 61.891 62.100 -0.073 0.000 1.109 68 T CB -0.209 68.603 68.868 -0.093 0.000 0.921 68 T HN 0.151 nan 8.240 nan 0.000 0.488 69 L N 2.489 123.769 121.223 0.095 0.000 2.869 69 L HA 0.296 4.636 4.340 -0.000 0.000 0.240 69 L C 0.150 177.103 176.870 0.139 0.000 1.448 69 L CA -0.038 54.908 54.840 0.177 0.000 1.158 69 L CB -1.244 40.865 42.059 0.083 0.000 1.497 69 L HN 0.534 nan 8.230 nan 0.000 0.447 70 H N -0.526 118.560 119.070 0.027 0.000 2.954 70 H HA 0.249 4.805 4.556 -0.000 0.000 0.361 70 H C -2.070 173.221 175.328 -0.062 0.000 1.122 70 H CA -1.411 54.593 56.048 -0.074 0.000 1.217 70 H CB 2.370 32.027 29.762 -0.176 0.000 1.776 70 H HN -0.182 nan 8.280 nan 0.000 0.533 71 P HA -0.400 nan 4.420 nan 0.000 0.218 71 P C 1.332 178.452 177.300 -0.299 0.000 1.132 71 P CA 2.907 65.875 63.100 -0.220 0.000 0.968 71 P CB -0.406 31.160 31.700 -0.223 0.000 0.783 72 A N -0.407 121.994 122.820 -0.699 0.000 1.923 72 A HA -0.273 4.047 4.320 -0.000 0.000 0.222 72 A C 2.529 179.823 177.584 -0.484 0.000 1.258 72 A CA 3.268 54.512 52.037 -1.321 0.000 0.670 72 A CB -1.851 16.586 19.000 -0.938 0.000 0.834 72 A HN 0.155 nan 8.150 nan 0.000 0.470 73 V N -0.509 119.276 119.914 -0.216 0.000 2.220 73 V HA -0.286 3.834 4.120 -0.000 0.000 0.242 73 V C 2.361 178.334 176.094 -0.202 0.000 1.041 73 V CA 2.142 64.305 62.300 -0.227 0.000 0.990 73 V CB -1.204 30.438 31.823 -0.302 0.000 0.634 73 V HN 0.716 nan 8.190 nan 0.000 0.452 74 H N -0.001 119.030 119.070 -0.064 0.000 2.489 74 H HA -0.101 4.455 4.556 -0.000 0.000 0.295 74 H C 2.229 177.539 175.328 -0.029 0.000 1.082 74 H CA 1.483 57.508 56.048 -0.039 0.000 1.295 74 H CB -0.438 29.305 29.762 -0.032 0.000 1.380 74 H HN 0.498 nan 8.280 nan 0.000 0.548 75 A N 0.879 123.724 122.820 0.040 0.000 1.835 75 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 75 A C 2.905 180.528 177.584 0.065 0.000 1.199 75 A CA 1.696 53.773 52.037 0.065 0.000 0.615 75 A CB -1.253 17.788 19.000 0.069 0.000 0.838 75 A HN 0.448 nan 8.150 nan 0.000 0.444 76 G N -0.095 108.715 108.800 0.018 0.000 2.442 76 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 76 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 76 G C 1.509 176.426 174.900 0.028 0.000 1.141 76 G CA 1.185 46.303 45.100 0.030 0.000 0.763 76 G HN 0.503 nan 8.290 nan 0.000 0.554 77 I N 0.152 120.734 120.570 0.019 0.000 2.076 77 I HA -0.162 4.008 4.170 -0.000 0.000 0.237 77 I C 2.615 178.768 176.117 0.060 0.000 1.059 77 I CA 1.055 62.377 61.300 0.036 0.000 1.317 77 I CB -0.313 37.718 38.000 0.051 0.000 1.037 77 I HN 0.094 nan 8.210 nan 0.000 0.398 78 L N 0.682 121.951 121.223 0.077 0.000 2.395 78 L HA 0.087 4.427 4.340 -0.000 0.000 0.218 78 L C 1.408 178.314 176.870 0.060 0.000 1.130 78 L CA -0.325 54.559 54.840 0.072 0.000 0.826 78 L CB -0.462 41.642 42.059 0.075 0.000 0.941 78 L HN 0.170 nan 8.230 nan 0.000 0.451 79 A N 1.041 123.897 122.820 0.059 0.000 2.565 79 A HA 0.148 4.468 4.320 -0.000 0.000 0.237 79 A C 0.320 177.927 177.584 0.039 0.000 1.053 79 A CA 0.253 52.322 52.037 0.053 0.000 0.755 79 A CB -0.008 19.029 19.000 0.061 0.000 0.980 79 A HN 0.329 nan 8.150 nan 0.000 0.506 80 R N 1.155 121.674 120.500 0.032 0.000 2.691 80 R HA 0.301 4.641 4.340 -0.000 0.000 0.259 80 R C 0.757 177.068 176.300 0.017 0.000 1.048 80 R CA -0.394 55.718 56.100 0.020 0.000 1.086 80 R CB 0.393 30.703 30.300 0.017 0.000 1.166 80 R HN 0.793 nan 8.270 nan 0.000 0.526 81 N N 1.099 119.804 118.700 0.009 0.000 2.521 81 N HA -0.014 4.726 4.740 -0.000 0.000 0.188 81 N C -0.037 175.478 175.510 0.009 0.000 1.146 81 N CA -0.059 52.997 53.050 0.009 0.000 0.893 81 N CB -0.244 38.245 38.487 0.003 0.000 0.975 81 N HN 0.538 nan 8.380 nan 0.000 0.451 82 I N -2.454 118.122 120.570 0.010 0.000 2.683 82 I HA 0.181 4.351 4.170 -0.000 0.000 0.286 82 I C -1.556 174.568 176.117 0.011 0.000 1.175 82 I CA -1.469 59.836 61.300 0.009 0.000 1.429 82 I CB 0.525 38.531 38.000 0.010 0.000 1.371 82 I HN -0.159 nan 8.210 nan 0.000 0.569 83 P HA -0.230 nan 4.420 nan 0.000 0.217 83 P C 1.127 178.433 177.300 0.009 0.000 1.162 83 P CA 1.872 64.976 63.100 0.007 0.000 0.901 83 P CB 0.151 31.854 31.700 0.005 0.000 0.793 84 E N -0.362 119.843 120.200 0.009 0.000 2.035 84 E HA -0.228 4.122 4.350 -0.000 0.000 0.204 84 E C 1.866 178.475 176.600 0.014 0.000 1.025 84 E CA 1.811 58.217 56.400 0.010 0.000 0.835 84 E CB -1.308 28.398 29.700 0.010 0.000 0.764 84 E HN 0.260 nan 8.360 nan 0.000 0.457 85 D N 0.124 120.536 120.400 0.020 0.000 2.149 85 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 85 D C 1.583 177.902 176.300 0.030 0.000 1.001 85 D CA 1.119 55.137 54.000 0.030 0.000 0.849 85 D CB -0.410 40.410 40.800 0.032 0.000 0.939 85 D HN 0.146 nan 8.370 nan 0.000 0.449 86 N N 0.334 119.047 118.700 0.023 0.000 2.104 86 N HA -0.141 4.599 4.740 -0.000 0.000 0.190 86 N C 1.692 177.211 175.510 0.015 0.000 1.024 86 N CA 1.410 54.472 53.050 0.021 0.000 0.853 86 N CB -0.349 38.147 38.487 0.015 0.000 1.008 86 N HN 0.196 nan 8.380 nan 0.000 0.424 87 A N 1.304 124.129 122.820 0.008 0.000 1.898 87 A HA -0.081 4.239 4.320 -0.000 0.000 0.214 87 A C 1.843 179.422 177.584 -0.008 0.000 1.183 87 A CA 1.124 53.160 52.037 -0.002 0.000 0.622 87 A CB -0.273 18.725 19.000 -0.003 0.000 0.824 87 A HN 0.088 nan 8.150 nan 0.000 0.444 88 D N -0.236 120.164 120.400 0.001 0.000 2.158 88 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 88 D C 1.918 178.209 176.300 -0.015 0.000 0.995 88 D CA 1.351 55.349 54.000 -0.003 0.000 0.846 88 D CB -0.202 40.610 40.800 0.020 0.000 0.941 88 D HN 0.275 nan 8.370 nan 0.000 0.456 89 M N 0.558 120.168 119.600 0.017 0.000 2.132 89 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 89 M C 1.760 178.045 176.300 -0.025 0.000 1.065 89 M CA 0.961 56.283 55.300 0.038 0.000 1.122 89 M CB -1.277 31.371 32.600 0.080 0.000 1.365 89 M HN 0.053 nan 8.290 nan 0.000 0.411 90 N N 0.434 119.121 118.700 -0.021 0.000 2.007 90 N HA -0.213 4.527 4.740 -0.000 0.000 0.197 90 N C 1.781 177.246 175.510 -0.076 0.000 1.050 90 N CA 1.532 54.562 53.050 -0.033 0.000 0.856 90 N CB -0.203 38.271 38.487 -0.021 0.000 1.050 90 N HN 0.312 nan 8.380 nan 0.000 0.423 91 K N 0.717 121.069 120.400 -0.081 0.000 2.015 91 K HA -0.227 4.093 4.320 -0.000 0.000 0.216 91 K C 1.804 178.288 176.600 -0.194 0.000 1.052 91 K CA 1.504 57.728 56.287 -0.105 0.000 0.937 91 K CB 0.055 32.505 32.500 -0.083 0.000 0.719 91 K HN 0.144 nan 8.250 nan 0.000 0.446 92 Q N 0.385 119.997 119.800 -0.313 0.000 2.437 92 Q HA -0.126 4.213 4.340 -0.000 0.000 0.210 92 Q C 0.087 175.641 176.000 -0.744 0.000 0.972 92 Q CA 1.204 56.597 55.803 -0.684 0.000 0.903 92 Q CB -0.411 27.683 28.738 -1.073 0.000 0.967 92 Q HN 0.501 nan 8.270 nan 0.000 0.486 93 D N -1.533 118.661 120.400 -0.343 0.000 2.800 93 D HA -0.184 4.456 4.640 -0.000 0.000 0.232 93 D C -1.436 174.883 176.300 0.031 0.000 1.137 93 D CA 0.176 54.098 54.000 -0.130 0.000 0.718 93 D CB -1.035 39.713 40.800 -0.086 0.000 1.084 93 D HN 0.015 nan 8.370 nan 0.000 0.432 94 F N 0.885 120.856 119.950 0.036 0.000 2.410 94 F HA 0.478 5.005 4.527 -0.000 0.000 0.349 94 F C 1.385 177.202 175.800 0.028 0.000 1.117 94 F CA -1.028 56.997 58.000 0.041 0.000 1.104 94 F CB 1.413 40.444 39.000 0.051 0.000 1.122 94 F HN -0.196 nan 8.300 nan 0.000 0.483 95 S N 3.077 118.910 115.700 0.221 0.000 2.633 95 S HA 0.530 5.000 4.470 -0.000 0.000 0.257 95 S C -0.087 174.567 174.600 0.090 0.000 1.265 95 S CA -0.567 57.702 58.200 0.115 0.000 0.980 95 S CB 0.542 63.784 63.200 0.070 0.000 1.017 95 S HN 0.374 nan 8.310 nan 0.000 0.577 96 L N 1.364 122.620 121.223 0.054 0.000 2.329 96 L HA 0.499 4.839 4.340 -0.000 0.000 0.279 96 L C -0.917 175.962 176.870 0.015 0.000 1.014 96 L CA -0.886 53.977 54.840 0.038 0.000 0.814 96 L CB 1.581 43.661 42.059 0.035 0.000 1.257 96 L HN 0.284 nan 8.230 nan 0.000 0.424 97 V N 3.347 123.265 119.914 0.006 0.000 2.432 97 V HA 0.271 4.391 4.120 -0.000 0.000 0.275 97 V C 0.892 176.987 176.094 0.003 0.000 1.043 97 V CA -0.353 61.942 62.300 -0.007 0.000 0.925 97 V CB 1.291 33.101 31.823 -0.022 0.000 0.985 97 V HN 0.811 nan 8.190 nan 0.000 0.466 98 R N 3.398 123.898 120.500 -0.000 0.000 2.307 98 R HA 0.342 4.682 4.340 -0.000 0.000 0.200 98 R C -0.533 175.775 176.300 0.013 0.000 0.893 98 R CA 0.397 56.500 56.100 0.006 0.000 1.042 98 R CB 0.841 31.140 30.300 -0.001 0.000 1.059 98 R HN 0.547 nan 8.270 nan 0.000 0.530 99 V N 1.269 121.189 119.914 0.009 0.000 2.777 99 V HA 0.353 4.473 4.120 -0.000 0.000 0.306 99 V C -1.103 175.008 176.094 0.028 0.000 1.112 99 V CA -0.814 61.504 62.300 0.029 0.000 0.917 99 V CB 2.338 34.174 31.823 0.022 0.000 1.018 99 V HN -0.198 nan 8.190 nan 0.000 0.426 100 V N 5.147 125.088 119.914 0.045 0.000 2.409 100 V HA 0.456 4.576 4.120 -0.000 0.000 0.290 100 V C -0.370 175.762 176.094 0.064 0.000 1.017 100 V CA -0.568 61.751 62.300 0.031 0.000 0.841 100 V CB 1.956 33.781 31.823 0.003 0.000 1.003 100 V HN 0.608 nan 8.190 nan 0.000 0.426 101 V N 4.476 124.441 119.914 0.085 0.000 2.370 101 V HA 0.649 4.769 4.120 -0.000 0.000 0.279 101 V C -0.083 176.056 176.094 0.075 0.000 1.029 101 V CA -0.205 62.171 62.300 0.128 0.000 0.870 101 V CB 1.325 33.272 31.823 0.206 0.000 0.984 101 V HN 1.024 nan 8.190 nan 0.000 0.451 102 C N 5.522 124.854 119.300 0.053 0.000 3.302 102 C HA 0.774 5.234 4.460 -0.000 0.000 0.347 102 C C -1.779 173.213 174.990 0.002 0.000 1.218 102 C CA -0.577 58.458 59.018 0.029 0.000 1.234 102 C CB 1.589 29.334 27.740 0.008 0.000 1.551 102 C HN 1.160 nan 8.230 nan 0.000 0.501 103 N N 3.366 122.084 118.700 0.030 0.000 2.636 103 N HA 0.624 5.364 4.740 -0.000 0.000 0.261 103 N C -1.605 173.993 175.510 0.147 0.000 1.195 103 N CA -0.833 52.258 53.050 0.068 0.000 0.902 103 N CB 0.540 38.996 38.487 -0.052 0.000 1.627 103 N HN 0.692 nan 8.380 nan 0.000 0.491 104 L N -0.317 121.060 121.223 0.257 0.000 2.400 104 L HA 0.502 4.842 4.340 -0.000 0.000 0.264 104 L C -0.470 176.524 176.870 0.207 0.000 1.061 104 L CA -1.204 53.682 54.840 0.077 0.000 0.799 104 L CB 0.442 42.302 42.059 -0.332 0.000 1.240 104 L HN 0.630 nan 8.230 nan 0.000 0.461 105 Y N 2.292 122.651 120.300 0.098 0.000 2.452 105 Y HA 0.313 4.863 4.550 0.000 0.000 0.348 105 Y C -2.120 173.913 175.900 0.221 0.000 0.985 105 Y CA -2.915 55.262 58.100 0.129 0.000 1.214 105 Y CB 0.372 38.889 38.460 0.096 0.000 1.136 105 Y HN 0.284 nan 8.280 nan 0.000 0.523 106 P HA -0.128 nan 4.420 nan 0.000 0.261 106 P C 0.369 177.555 177.300 -0.189 0.000 1.173 106 P CA 0.580 63.615 63.100 -0.108 0.000 0.760 106 P CB 0.388 31.987 31.700 -0.168 0.000 0.783 107 F N 4.042 123.875 119.950 -0.196 0.000 2.075 107 F HA -0.232 4.295 4.527 -0.000 0.000 0.297 107 F C 2.244 177.875 175.800 -0.283 0.000 1.113 107 F CA 1.895 59.729 58.000 -0.276 0.000 1.218 107 F CB -0.938 37.802 39.000 -0.433 0.000 0.984 107 F HN 0.165 nan 8.300 nan 0.000 0.472 108 V N -0.893 118.972 119.914 -0.080 0.000 2.252 108 V HA -0.435 3.685 4.120 -0.000 0.000 0.255 108 V C 2.341 178.300 176.094 -0.225 0.000 1.071 108 V CA 2.541 64.758 62.300 -0.138 0.000 1.050 108 V CB -1.462 30.305 31.823 -0.093 0.000 0.654 108 V HN 0.387 nan 8.190 nan 0.000 0.448 109 K N 0.137 120.370 120.400 -0.279 0.000 1.969 109 K HA -0.188 4.132 4.320 -0.000 0.000 0.216 109 K C 2.373 178.816 176.600 -0.262 0.000 1.048 109 K CA 2.462 58.570 56.287 -0.298 0.000 0.948 109 K CB -0.773 31.397 32.500 -0.550 0.000 0.726 109 K HN 0.636 nan 8.250 nan 0.000 0.442 110 T N 1.054 115.398 114.554 -0.351 0.000 2.564 110 T HA -0.231 4.119 4.350 -0.000 0.000 0.264 110 T C 1.773 176.269 174.700 -0.340 0.000 1.100 110 T CA 2.526 64.491 62.100 -0.226 0.000 1.171 110 T CB -0.650 67.935 68.868 -0.471 0.000 0.863 110 T HN 0.345 nan 8.240 nan 0.000 0.430 111 V N -0.226 119.349 119.914 -0.566 0.000 2.828 111 V HA -0.043 4.077 4.120 -0.000 0.000 0.260 111 V C 1.938 177.851 176.094 -0.302 0.000 1.101 111 V CA 1.977 63.939 62.300 -0.564 0.000 1.123 111 V CB -0.713 30.621 31.823 -0.815 0.000 0.704 111 V HN 0.352 nan 8.190 nan 0.000 0.493 112 S N -0.054 115.516 115.700 -0.216 0.000 2.575 112 S HA 0.183 4.653 4.470 -0.000 0.000 0.215 112 S C 1.040 175.592 174.600 -0.080 0.000 0.966 112 S CA 0.616 58.741 58.200 -0.125 0.000 0.911 112 S CB -0.189 62.950 63.200 -0.102 0.000 0.780 112 S HN 0.739 nan 8.310 nan 0.000 0.514 113 S N 2.540 118.192 115.700 -0.080 0.000 2.558 113 S HA 0.090 4.559 4.470 -0.000 0.000 0.291 113 S C -1.349 173.229 174.600 -0.037 0.000 1.306 113 S CA -1.036 57.141 58.200 -0.039 0.000 1.056 113 S CB 0.352 63.533 63.200 -0.032 0.000 0.836 113 S HN 0.012 nan 8.310 nan 0.000 0.504 114 P HA -0.207 nan 4.420 nan 0.000 0.246 114 P C 0.802 178.091 177.300 -0.018 0.000 0.762 114 P CA 2.184 65.274 63.100 -0.017 0.000 1.095 114 P CB -0.229 31.464 31.700 -0.012 0.000 0.775 115 G N -1.796 106.995 108.800 -0.016 0.000 3.936 115 G HA2 0.284 4.244 3.960 -0.000 0.000 0.296 115 G HA3 0.284 4.244 3.960 -0.000 0.000 0.296 115 G C -0.350 174.543 174.900 -0.013 0.000 1.121 115 G CA -0.181 44.912 45.100 -0.012 0.000 0.899 115 G HN 0.476 nan 8.290 nan 0.000 0.542 116 V N 2.460 122.360 119.914 -0.024 0.000 2.625 116 V HA 0.333 4.453 4.120 -0.000 0.000 0.305 116 V C 0.898 176.988 176.094 -0.006 0.000 1.055 116 V CA 0.943 63.227 62.300 -0.027 0.000 1.209 116 V CB 0.530 32.315 31.823 -0.064 0.000 0.877 116 V HN 0.473 nan 8.190 nan 0.000 0.489 117 T N 3.883 118.441 114.554 0.006 0.000 2.934 117 T HA 0.447 4.797 4.350 -0.000 0.000 0.283 117 T C 1.055 175.782 174.700 0.046 0.000 1.005 117 T CA -0.096 62.017 62.100 0.021 0.000 1.041 117 T CB 1.638 70.514 68.868 0.013 0.000 1.042 117 T HN 0.514 nan 8.240 nan 0.000 0.505 118 V N 2.975 122.918 119.914 0.049 0.000 2.217 118 V HA -0.136 3.984 4.120 -0.000 0.000 0.248 118 V C -0.016 176.118 176.094 0.066 0.000 1.050 118 V CA 2.237 64.569 62.300 0.053 0.000 1.007 118 V CB -1.932 29.818 31.823 -0.122 0.000 0.639 118 V HN 0.881 nan 8.190 nan 0.000 0.452 119 P HA -0.279 nan 4.420 nan 0.000 0.219 119 P C 1.561 178.905 177.300 0.074 0.000 1.158 119 P CA 2.351 65.489 63.100 0.063 0.000 0.895 119 P CB 0.005 31.732 31.700 0.046 0.000 0.792 120 E N -0.124 120.108 120.200 0.053 0.000 2.021 120 E HA -0.196 4.154 4.350 -0.000 0.000 0.200 120 E C 2.315 178.946 176.600 0.051 0.000 1.015 120 E CA 1.613 58.038 56.400 0.042 0.000 0.824 120 E CB -0.646 29.066 29.700 0.020 0.000 0.762 120 E HN 0.150 nan 8.360 nan 0.000 0.454 121 A N 0.290 123.136 122.820 0.043 0.000 1.978 121 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 121 A C 2.377 180.039 177.584 0.130 0.000 1.170 121 A CA 1.590 53.627 52.037 0.000 0.000 0.636 121 A CB -0.646 18.311 19.000 -0.072 0.000 0.810 121 A HN 0.216 nan 8.150 nan 0.000 0.448 122 V N -0.009 120.038 119.914 0.222 0.000 2.237 122 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 122 V C 2.595 178.847 176.094 0.265 0.000 1.046 122 V CA 2.063 64.555 62.300 0.319 0.000 1.007 122 V CB -0.747 31.220 31.823 0.240 0.000 0.638 122 V HN 0.624 nan 8.190 nan 0.000 0.445 123 E N 0.320 120.626 120.200 0.177 0.000 2.209 123 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 123 E C 2.095 178.790 176.600 0.159 0.000 0.993 123 E CA 0.863 57.352 56.400 0.148 0.000 0.819 123 E CB -0.114 29.646 29.700 0.101 0.000 0.745 123 E HN 0.389 nan 8.360 nan 0.000 0.477 124 K N 0.436 120.929 120.400 0.155 0.000 2.442 124 K HA -0.032 4.288 4.320 -0.000 0.000 0.198 124 K C 0.815 177.572 176.600 0.263 0.000 1.044 124 K CA 0.170 56.546 56.287 0.149 0.000 0.948 124 K CB -0.365 32.172 32.500 0.062 0.000 0.762 124 K HN 0.252 nan 8.250 nan 0.000 0.472 125 I N 2.473 123.255 120.570 0.353 0.000 2.668 125 I HA -0.102 4.068 4.170 -0.000 0.000 0.285 125 I C 0.911 177.236 176.117 0.346 0.000 1.168 125 I CA 0.068 61.641 61.300 0.454 0.000 1.424 125 I CB 0.237 38.456 38.000 0.364 0.000 1.377 125 I HN 0.025 nan 8.210 nan 0.000 0.560 126 D N 6.912 127.570 120.400 0.430 0.000 2.389 126 D HA 0.078 4.718 4.640 -0.000 0.000 0.247 126 D C 0.361 176.759 176.300 0.162 0.000 1.128 126 D CA -0.028 54.110 54.000 0.231 0.000 0.884 126 D CB 1.331 42.189 40.800 0.097 0.000 1.194 126 D HN 0.304 nan 8.370 nan 0.000 0.441 127 I N 2.825 123.455 120.570 0.100 0.000 3.632 127 I HA 0.054 4.224 4.170 -0.000 0.000 0.246 127 I C 2.365 178.513 176.117 0.051 0.000 1.125 127 I CA 0.380 61.725 61.300 0.076 0.000 1.519 127 I CB -1.457 36.588 38.000 0.076 0.000 1.555 127 I HN 0.598 nan 8.210 nan 0.000 0.452 128 G N 1.246 110.077 108.800 0.052 0.000 2.491 128 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 128 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 128 G C 1.636 176.559 174.900 0.038 0.000 1.180 128 G CA 1.227 46.360 45.100 0.055 0.000 0.774 128 G HN 0.486 nan 8.290 nan 0.000 0.562 129 G N 0.614 109.417 108.800 0.006 0.000 2.514 129 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 129 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 129 G C 1.850 176.732 174.900 -0.030 0.000 1.198 129 G CA 1.927 47.016 45.100 -0.019 0.000 0.780 129 G HN 0.398 nan 8.290 nan 0.000 0.565 130 V N 1.914 121.790 119.914 -0.063 0.000 2.277 130 V HA -0.278 3.842 4.120 -0.000 0.000 0.253 130 V C 3.354 179.441 176.094 -0.011 0.000 1.067 130 V CA 2.399 64.659 62.300 -0.067 0.000 1.047 130 V CB -1.340 30.449 31.823 -0.057 0.000 0.649 130 V HN 0.528 nan 8.190 nan 0.000 0.447 131 A N -0.124 122.719 122.820 0.038 0.000 1.940 131 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 131 A C 2.209 179.898 177.584 0.175 0.000 1.176 131 A CA 2.196 54.290 52.037 0.094 0.000 0.631 131 A CB -0.552 18.526 19.000 0.131 0.000 0.814 131 A HN 0.559 nan 8.150 nan 0.000 0.446 132 L N -0.923 120.378 121.223 0.129 0.000 2.023 132 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 132 L C 2.539 179.410 176.870 0.002 0.000 1.073 132 L CA 1.008 55.887 54.840 0.064 0.000 0.745 132 L CB -0.707 41.339 42.059 -0.022 0.000 0.900 132 L HN 0.322 nan 8.230 nan 0.000 0.435 133 L N -0.317 120.880 121.223 -0.044 0.000 1.978 133 L HA -0.272 4.068 4.340 -0.000 0.000 0.218 133 L C 2.966 179.696 176.870 -0.235 0.000 1.075 133 L CA 1.629 56.395 54.840 -0.123 0.000 0.767 133 L CB -0.610 41.379 42.059 -0.115 0.000 0.890 133 L HN 0.218 nan 8.230 nan 0.000 0.434 134 R N -0.264 120.119 120.500 -0.195 0.000 2.081 134 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 134 R C 2.402 178.667 176.300 -0.058 0.000 1.131 134 R CA 1.302 57.275 56.100 -0.212 0.000 0.960 134 R CB -0.616 29.699 30.300 0.025 0.000 0.856 134 R HN 0.403 nan 8.270 nan 0.000 0.436 135 A N 1.633 124.467 122.820 0.023 0.000 1.858 135 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 135 A C 2.451 180.071 177.584 0.060 0.000 1.190 135 A CA 1.722 53.810 52.037 0.085 0.000 0.617 135 A CB -0.750 18.368 19.000 0.198 0.000 0.827 135 A HN 0.391 nan 8.150 nan 0.000 0.443 136 A N -0.144 122.685 122.820 0.015 0.000 1.858 136 A HA 0.138 4.458 4.320 -0.000 0.000 0.216 136 A C 2.559 180.144 177.584 0.002 0.000 1.190 136 A CA 2.376 54.417 52.037 0.007 0.000 0.617 136 A CB -1.216 17.774 19.000 -0.018 0.000 0.827 136 A HN 1.133 nan 8.150 nan 0.000 0.443 137 A N -0.038 122.705 122.820 -0.129 0.000 1.883 137 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 137 A C 2.122 179.768 177.584 0.103 0.000 1.186 137 A CA 2.370 54.288 52.037 -0.197 0.000 0.624 137 A CB -0.632 17.838 19.000 -0.883 0.000 0.822 137 A HN 0.617 nan 8.150 nan 0.000 0.444 138 K N 0.035 120.557 120.400 0.203 0.000 2.000 138 K HA -0.223 4.097 4.320 -0.000 0.000 0.218 138 K C 1.302 178.115 176.600 0.355 0.000 1.053 138 K CA 1.869 58.376 56.287 0.367 0.000 0.946 138 K CB -0.363 32.302 32.500 0.275 0.000 0.723 138 K HN 0.527 nan 8.250 nan 0.000 0.446 139 N N 1.002 119.834 118.700 0.219 0.000 2.906 139 N HA -0.076 4.664 4.740 -0.000 0.000 0.282 139 N C 0.773 176.374 175.510 0.152 0.000 1.293 139 N CA -0.160 52.983 53.050 0.155 0.000 1.059 139 N CB -0.015 38.526 38.487 0.090 0.000 1.388 139 N HN 0.440 nan 8.380 nan 0.000 0.533 140 H N -0.721 118.388 119.070 0.065 0.000 2.521 140 H HA -0.015 4.541 4.556 -0.000 0.000 0.286 140 H C 1.647 176.996 175.328 0.035 0.000 1.034 140 H CA 0.890 56.966 56.048 0.048 0.000 1.278 140 H CB -0.398 29.401 29.762 0.062 0.000 1.386 140 H HN 0.308 nan 8.280 nan 0.000 0.567 141 A N 1.652 124.222 122.820 -0.417 0.000 1.940 141 A HA -0.267 4.053 4.320 -0.000 0.000 0.221 141 A C 2.595 180.102 177.584 -0.130 0.000 1.190 141 A CA 2.530 54.369 52.037 -0.329 0.000 0.647 141 A CB -0.543 18.334 19.000 -0.204 0.000 0.821 141 A HN 0.531 nan 8.150 nan 0.000 0.457 142 R N -1.743 118.723 120.500 -0.055 0.000 2.207 142 R HA 0.215 4.555 4.340 -0.000 0.000 0.184 142 R C 0.133 176.443 176.300 0.016 0.000 1.280 142 R CA 0.479 56.571 56.100 -0.014 0.000 1.166 142 R CB -0.141 30.158 30.300 -0.003 0.000 1.116 142 R HN 0.199 nan 8.270 nan 0.000 0.494 143 V N 2.643 122.577 119.914 0.033 0.000 2.872 143 V HA -0.061 4.059 4.120 -0.000 0.000 0.302 143 V C -0.104 176.025 176.094 0.059 0.000 1.166 143 V CA 1.034 63.360 62.300 0.044 0.000 1.298 143 V CB 1.064 32.916 31.823 0.049 0.000 0.894 143 V HN 0.419 nan 8.190 nan 0.000 0.509 144 T N 4.691 119.278 114.554 0.055 0.000 3.254 144 T HA 0.301 4.651 4.350 -0.000 0.000 0.385 144 T C -0.226 174.520 174.700 0.077 0.000 1.528 144 T CA -0.122 62.022 62.100 0.072 0.000 1.212 144 T CB 0.794 69.709 68.868 0.078 0.000 1.145 144 T HN 0.557 nan 8.240 nan 0.000 0.631 145 V N 4.273 124.221 119.914 0.057 0.000 2.775 145 V HA 0.608 4.728 4.120 -0.000 0.000 0.299 145 V C -0.474 175.643 176.094 0.039 0.000 1.062 145 V CA 0.132 62.451 62.300 0.032 0.000 1.063 145 V CB 1.097 32.907 31.823 -0.021 0.000 0.994 145 V HN 0.547 nan 8.190 nan 0.000 0.483 146 V N 5.421 125.356 119.914 0.036 0.000 2.777 146 V HA 0.359 4.479 4.120 -0.000 0.000 0.306 146 V C 0.162 176.231 176.094 -0.042 0.000 1.112 146 V CA -0.076 62.230 62.300 0.010 0.000 0.917 146 V CB 1.526 33.404 31.823 0.090 0.000 1.018 146 V HN 1.147 nan 8.190 nan 0.000 0.426 147 C N -0.184 119.026 119.300 -0.149 0.000 3.911 147 C HA 0.432 4.892 4.460 -0.000 0.000 0.318 147 C C 0.027 174.803 174.990 -0.357 0.000 1.643 147 C CA -0.207 58.668 59.018 -0.239 0.000 1.845 147 C CB -0.482 27.062 27.740 -0.326 0.000 2.981 147 C HN 0.826 nan 8.230 nan 0.000 0.656 148 D N 1.445 121.627 120.400 -0.363 0.000 2.505 148 D HA 0.325 4.965 4.640 -0.000 0.000 0.250 148 D C -1.997 173.886 176.300 -0.695 0.000 1.164 148 D CA -1.184 52.560 54.000 -0.426 0.000 0.870 148 D CB 2.470 43.086 40.800 -0.306 0.000 1.160 148 D HN -0.135 nan 8.370 nan 0.000 0.549 149 P HA -0.182 nan 4.420 nan 0.000 0.216 149 P C 1.144 177.948 177.300 -0.828 0.000 1.154 149 P CA 1.627 63.856 63.100 -1.451 0.000 0.865 149 P CB 0.228 31.529 31.700 -0.664 0.000 0.789 150 A N -1.125 121.428 122.820 -0.445 0.000 2.186 150 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 150 A C 1.657 179.103 177.584 -0.230 0.000 1.159 150 A CA 2.140 54.026 52.037 -0.252 0.000 0.680 150 A CB -1.219 17.675 19.000 -0.177 0.000 0.787 150 A HN 0.164 nan 8.150 nan 0.000 0.467 151 D N -1.958 118.240 120.400 -0.336 0.000 2.214 151 D HA 0.050 4.690 4.640 -0.000 0.000 0.217 151 D C 1.318 177.500 176.300 -0.197 0.000 0.973 151 D CA 0.737 54.601 54.000 -0.228 0.000 0.880 151 D CB -0.355 40.309 40.800 -0.227 0.000 1.031 151 D HN 0.333 nan 8.370 nan 0.000 0.468 152 Y N 1.541 121.529 120.300 -0.520 0.000 1.807 152 Y HA -0.407 4.143 4.550 0.000 0.000 0.160 152 Y C 2.701 178.460 175.900 -0.234 0.000 1.054 152 Y CA 1.330 58.843 58.100 -0.978 0.000 0.792 152 Y CB -1.869 36.131 38.460 -0.766 0.000 0.659 152 Y HN -0.000 nan 8.280 nan 0.000 0.624 153 S N -0.256 115.530 115.700 0.143 0.000 2.434 153 S HA -0.312 4.158 4.470 -0.000 0.000 0.240 153 S C 2.278 176.963 174.600 0.142 0.000 1.052 153 S CA 3.313 61.611 58.200 0.162 0.000 1.198 153 S CB -0.982 62.274 63.200 0.093 0.000 1.124 153 S HN 0.658 nan 8.310 nan 0.000 0.426 154 S N 0.948 116.696 115.700 0.080 0.000 2.423 154 S HA -0.129 4.341 4.470 -0.000 0.000 0.238 154 S C 1.838 176.503 174.600 0.107 0.000 1.028 154 S CA 1.589 59.832 58.200 0.072 0.000 1.000 154 S CB -1.081 62.142 63.200 0.037 0.000 0.797 154 S HN 0.465 nan 8.310 nan 0.000 0.487 155 V N 2.582 122.590 119.914 0.157 0.000 2.255 155 V HA -0.078 4.042 4.120 -0.000 0.000 0.243 155 V C 3.018 179.258 176.094 0.245 0.000 1.038 155 V CA 1.403 63.837 62.300 0.223 0.000 1.008 155 V CB -1.675 30.352 31.823 0.341 0.000 0.645 155 V HN 0.596 nan 8.190 nan 0.000 0.449 156 A N 0.652 123.683 122.820 0.351 0.000 1.884 156 A HA -0.301 4.019 4.320 -0.000 0.000 0.219 156 A C 2.245 179.893 177.584 0.107 0.000 1.197 156 A CA 2.404 54.558 52.037 0.194 0.000 0.637 156 A CB -0.618 18.508 19.000 0.210 0.000 0.827 156 A HN 0.474 nan 8.150 nan 0.000 0.450 157 K N -0.215 120.250 120.400 0.108 0.000 2.044 157 K HA -0.212 4.108 4.320 -0.000 0.000 0.210 157 K C 1.907 178.542 176.600 0.059 0.000 1.049 157 K CA 1.754 58.083 56.287 0.070 0.000 0.927 157 K CB -0.811 31.727 32.500 0.064 0.000 0.713 157 K HN 0.821 nan 8.250 nan 0.000 0.443 158 E N 0.761 121.003 120.200 0.070 0.000 2.038 158 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 158 E C 2.034 178.661 176.600 0.045 0.000 1.000 158 E CA 1.342 57.776 56.400 0.057 0.000 0.803 158 E CB -0.021 29.719 29.700 0.066 0.000 0.750 158 E HN 0.238 nan 8.360 nan 0.000 0.448 159 M N 0.260 119.889 119.600 0.049 0.000 2.202 159 M HA -0.160 4.320 4.480 -0.000 0.000 0.262 159 M C 2.433 178.740 176.300 0.012 0.000 1.063 159 M CA 1.278 56.594 55.300 0.026 0.000 1.097 159 M CB -0.315 32.295 32.600 0.016 0.000 1.382 159 M HN 0.218 nan 8.290 nan 0.000 0.413 160 A N 0.828 123.657 122.820 0.016 0.000 1.845 160 A HA -0.044 4.276 4.320 -0.000 0.000 0.215 160 A C 2.411 180.000 177.584 0.010 0.000 1.195 160 A CA 2.079 54.121 52.037 0.009 0.000 0.616 160 A CB -0.979 18.030 19.000 0.014 0.000 0.832 160 A HN 0.489 nan 8.150 nan 0.000 0.443 161 A N 0.217 123.046 122.820 0.016 0.000 2.014 161 A HA 0.135 4.455 4.320 -0.000 0.000 0.218 161 A C 1.629 179.221 177.584 0.012 0.000 1.163 161 A CA 1.080 53.125 52.037 0.014 0.000 0.652 161 A CB -1.074 17.936 19.000 0.018 0.000 0.808 161 A HN 1.084 nan 8.150 nan 0.000 0.449 162 S N 1.171 116.879 115.700 0.015 0.000 2.611 162 S HA 0.121 4.591 4.470 -0.000 0.000 0.317 162 S C -0.157 174.448 174.600 0.007 0.000 1.208 162 S CA -0.262 57.945 58.200 0.013 0.000 1.217 162 S CB -0.397 62.813 63.200 0.016 0.000 1.085 162 S HN 0.374 nan 8.310 nan 0.000 0.529 163 K N 3.518 123.922 120.400 0.006 0.000 2.083 163 K HA 0.142 4.462 4.320 -0.000 0.000 0.246 163 K C -0.135 176.467 176.600 0.002 0.000 1.160 163 K CA -0.066 56.223 56.287 0.003 0.000 1.060 163 K CB -0.190 32.312 32.500 0.003 0.000 1.417 163 K HN 0.893 nan 8.250 nan 0.000 0.329 164 D N 0.835 121.235 120.400 0.001 0.000 3.681 164 D HA -0.155 4.485 4.640 -0.000 0.000 0.467 164 D C -0.508 175.790 176.300 -0.002 0.000 0.526 164 D CA -0.275 53.725 54.000 0.000 0.000 0.914 164 D CB -0.788 40.013 40.800 0.002 0.000 1.556 164 D HN 0.427 nan 8.370 nan 0.000 0.221 165 K N 0.431 120.829 120.400 -0.002 0.000 3.257 165 K HA -0.216 4.104 4.320 -0.000 0.000 0.270 165 K C -1.205 175.393 176.600 -0.004 0.000 0.984 165 K CA 1.555 57.838 56.287 -0.007 0.000 0.739 165 K CB -2.514 29.978 32.500 -0.014 0.000 1.351 165 K HN 0.400 nan 8.250 nan 0.000 0.463 166 D N 0.387 120.790 120.400 0.005 0.000 2.753 166 D HA 0.263 4.903 4.640 -0.000 0.000 0.224 166 D C -0.785 175.528 176.300 0.022 0.000 1.213 166 D CA -0.056 53.951 54.000 0.011 0.000 0.833 166 D CB 1.678 42.482 40.800 0.007 0.000 1.607 166 D HN 0.265 nan 8.370 nan 0.000 0.463 167 T N 0.169 114.742 114.554 0.032 0.000 2.901 167 T HA 0.428 4.778 4.350 -0.000 0.000 0.301 167 T C 0.711 175.430 174.700 0.032 0.000 1.012 167 T CA -0.718 61.408 62.100 0.044 0.000 1.135 167 T CB 0.854 69.759 68.868 0.062 0.000 0.936 167 T HN 0.407 nan 8.240 nan 0.000 0.539 168 S N 2.346 118.066 115.700 0.032 0.000 2.566 168 S HA 0.044 4.514 4.470 -0.000 0.000 0.280 168 S C 1.527 176.135 174.600 0.013 0.000 1.343 168 S CA -0.633 57.579 58.200 0.021 0.000 1.036 168 S CB 0.335 63.549 63.200 0.024 0.000 0.866 168 S HN 0.558 nan 8.310 nan 0.000 0.526 169 V N 2.799 122.712 119.914 -0.002 0.000 2.282 169 V HA -0.218 3.902 4.120 -0.000 0.000 0.249 169 V C 2.874 178.955 176.094 -0.022 0.000 1.057 169 V CA 2.238 64.529 62.300 -0.015 0.000 1.032 169 V CB -1.301 30.506 31.823 -0.026 0.000 0.645 169 V HN 0.997 nan 8.190 nan 0.000 0.447 170 E N 0.472 120.647 120.200 -0.042 0.000 2.051 170 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 170 E C 2.093 178.588 176.600 -0.174 0.000 0.991 170 E CA 1.982 58.308 56.400 -0.123 0.000 0.799 170 E CB -1.247 28.400 29.700 -0.088 0.000 0.748 170 E HN 0.577 nan 8.360 nan 0.000 0.449 171 T N 1.569 116.107 114.554 -0.028 0.000 2.788 171 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 171 T C 1.913 176.644 174.700 0.051 0.000 1.044 171 T CA 1.311 63.443 62.100 0.054 0.000 1.139 171 T CB -0.160 68.757 68.868 0.082 0.000 0.867 171 T HN 0.188 nan 8.240 nan 0.000 0.454 172 R N 0.804 121.332 120.500 0.046 0.000 2.120 172 R HA -0.013 4.327 4.340 -0.000 0.000 0.234 172 R C 2.648 179.027 176.300 0.132 0.000 1.123 172 R CA 1.010 57.164 56.100 0.090 0.000 0.975 172 R CB -0.181 30.170 30.300 0.085 0.000 0.866 172 R HN 0.464 nan 8.270 nan 0.000 0.446 173 R N -0.558 119.994 120.500 0.086 0.000 2.055 173 R HA -0.067 4.273 4.340 -0.000 0.000 0.228 173 R C 2.087 178.404 176.300 0.030 0.000 1.143 173 R CA 1.451 57.600 56.100 0.082 0.000 0.945 173 R CB -0.639 29.648 30.300 -0.022 0.000 0.841 173 R HN 0.461 nan 8.270 nan 0.000 0.429 174 H N 0.498 119.603 119.070 0.058 0.000 2.394 174 H HA -0.133 4.423 4.556 -0.000 0.000 0.297 174 H C 2.071 177.410 175.328 0.018 0.000 1.113 174 H CA 0.973 57.040 56.048 0.031 0.000 1.277 174 H CB 0.105 29.883 29.762 0.026 0.000 1.370 174 H HN 0.037 nan 8.280 nan 0.000 0.506 175 L N 0.262 121.569 121.223 0.140 0.000 2.056 175 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 175 L C 2.788 179.677 176.870 0.031 0.000 1.078 175 L CA 1.428 56.307 54.840 0.065 0.000 0.749 175 L CB -1.372 40.723 42.059 0.060 0.000 0.901 175 L HN 0.338 nan 8.230 nan 0.000 0.433 176 A N -0.176 122.664 122.820 0.033 0.000 1.908 176 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 176 A C 2.371 180.001 177.584 0.077 0.000 1.181 176 A CA 1.601 53.632 52.037 -0.011 0.000 0.627 176 A CB -0.686 18.246 19.000 -0.114 0.000 0.818 176 A HN 0.389 nan 8.150 nan 0.000 0.445 177 L N -0.319 120.964 121.223 0.101 0.000 1.948 177 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 177 L C 2.548 179.496 176.870 0.131 0.000 1.074 177 L CA 2.223 57.151 54.840 0.148 0.000 0.753 177 L CB -0.485 41.642 42.059 0.114 0.000 0.888 177 L HN 0.376 nan 8.230 nan 0.000 0.432 178 K N 0.072 120.516 120.400 0.074 0.000 2.071 178 K HA -0.309 4.011 4.320 -0.000 0.000 0.217 178 K C 1.991 178.617 176.600 0.044 0.000 1.054 178 K CA 1.852 58.162 56.287 0.040 0.000 0.937 178 K CB -0.780 31.713 32.500 -0.012 0.000 0.719 178 K HN 0.549 nan 8.250 nan 0.000 0.454 179 A N 1.591 124.404 122.820 -0.013 0.000 1.859 179 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 179 A C 2.117 179.679 177.584 -0.037 0.000 1.209 179 A CA 1.934 53.923 52.037 -0.080 0.000 0.639 179 A CB -1.028 17.833 19.000 -0.230 0.000 0.835 179 A HN 0.245 nan 8.150 nan 0.000 0.450 180 F N 0.777 120.745 119.950 0.029 0.000 2.202 180 F HA -0.157 4.370 4.527 0.000 0.000 0.301 180 F C 2.789 178.610 175.800 0.035 0.000 1.082 180 F CA 1.810 59.823 58.000 0.021 0.000 1.313 180 F CB -1.042 37.955 39.000 -0.005 0.000 1.024 180 F HN 0.188 nan 8.300 nan 0.000 0.495 181 T N -2.144 112.546 114.554 0.227 0.000 2.708 181 T HA -0.257 4.093 4.350 -0.000 0.000 0.266 181 T C 1.735 176.525 174.700 0.149 0.000 1.037 181 T CA 1.774 63.967 62.100 0.154 0.000 1.146 181 T CB -0.554 68.383 68.868 0.115 0.000 0.865 181 T HN 0.264 nan 8.240 nan 0.000 0.435 182 H N 1.359 120.451 119.070 0.035 0.000 2.390 182 H HA -0.110 4.446 4.556 -0.000 0.000 0.298 182 H C 2.329 177.680 175.328 0.040 0.000 1.106 182 H CA 2.104 58.160 56.048 0.014 0.000 1.297 182 H CB -0.403 29.338 29.762 -0.034 0.000 1.375 182 H HN 0.501 nan 8.280 nan 0.000 0.509 183 T N -2.529 112.054 114.554 0.048 0.000 2.781 183 T HA 0.065 4.415 4.350 -0.000 0.000 0.252 183 T C 2.367 177.112 174.700 0.075 0.000 1.039 183 T CA 0.953 63.068 62.100 0.026 0.000 1.147 183 T CB -1.032 67.871 68.868 0.059 0.000 0.865 183 T HN 0.341 nan 8.240 nan 0.000 0.423 184 A N 1.929 124.808 122.820 0.099 0.000 1.971 184 A HA -0.275 4.045 4.320 -0.000 0.000 0.222 184 A C 2.451 180.053 177.584 0.031 0.000 1.182 184 A CA 2.168 54.246 52.037 0.067 0.000 0.649 184 A CB -1.053 17.991 19.000 0.074 0.000 0.818 184 A HN 0.681 nan 8.150 nan 0.000 0.458 185 Q N -2.446 117.374 119.800 0.034 0.000 2.046 185 Q HA -0.179 4.161 4.340 -0.000 0.000 0.200 185 Q C 2.072 178.063 176.000 -0.016 0.000 0.975 185 Q CA 1.671 57.479 55.803 0.008 0.000 0.836 185 Q CB -0.336 28.412 28.738 0.017 0.000 0.896 185 Q HN 0.825 nan 8.270 nan 0.000 0.428 186 Y N 2.038 122.240 120.300 -0.162 0.000 2.097 186 Y HA -0.289 4.261 4.550 -0.000 0.000 0.282 186 Y C 1.462 177.211 175.900 -0.251 0.000 1.152 186 Y CA 2.225 60.205 58.100 -0.200 0.000 1.136 186 Y CB -0.172 38.157 38.460 -0.218 0.000 0.975 186 Y HN 0.142 nan 8.280 nan 0.000 0.498 187 D N -0.222 120.107 120.400 -0.118 0.000 2.097 187 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 187 D C 2.306 178.432 176.300 -0.290 0.000 0.984 187 D CA 1.514 55.360 54.000 -0.257 0.000 0.826 187 D CB -0.580 40.151 40.800 -0.116 0.000 0.973 187 D HN 0.439 nan 8.370 nan 0.000 0.460 188 A N 1.012 123.730 122.820 -0.171 0.000 1.917 188 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 188 A C 2.272 179.742 177.584 -0.191 0.000 1.182 188 A CA 2.351 54.305 52.037 -0.139 0.000 0.633 188 A CB -1.047 17.912 19.000 -0.068 0.000 0.819 188 A HN 0.254 nan 8.150 nan 0.000 0.448 189 A N -0.105 122.576 122.820 -0.232 0.000 1.883 189 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 189 A C 2.153 179.547 177.584 -0.317 0.000 1.186 189 A CA 1.592 53.490 52.037 -0.231 0.000 0.624 189 A CB -0.638 18.219 19.000 -0.239 0.000 0.822 189 A HN 0.521 nan 8.150 nan 0.000 0.444 190 I N 0.704 120.853 120.570 -0.701 0.000 2.099 190 I HA -0.299 3.871 4.170 -0.000 0.000 0.239 190 I C 2.914 178.827 176.117 -0.340 0.000 1.066 190 I CA 1.830 62.616 61.300 -0.857 0.000 1.324 190 I CB -0.533 36.778 38.000 -1.148 0.000 1.037 190 I HN 0.478 nan 8.210 nan 0.000 0.401 191 S N 0.287 115.734 115.700 -0.422 0.000 2.402 191 S HA -0.294 4.176 4.470 -0.000 0.000 0.233 191 S C 1.642 176.193 174.600 -0.081 0.000 1.030 191 S CA 1.757 59.792 58.200 -0.274 0.000 1.003 191 S CB -0.658 62.401 63.200 -0.235 0.000 0.813 191 S HN 0.512 nan 8.310 nan 0.000 0.477 192 D N 0.683 121.018 120.400 -0.107 0.000 2.117 192 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 192 D C 1.752 178.077 176.300 0.041 0.000 0.987 192 D CA 1.191 55.120 54.000 -0.120 0.000 0.829 192 D CB -0.500 40.221 40.800 -0.131 0.000 0.961 192 D HN 0.463 nan 8.370 nan 0.000 0.460 193 Y N -0.037 120.275 120.300 0.020 0.000 2.200 193 Y HA -0.115 4.435 4.550 -0.000 0.000 0.290 193 Y C 1.878 177.851 175.900 0.123 0.000 1.137 193 Y CA 1.263 59.427 58.100 0.108 0.000 1.163 193 Y CB -0.749 37.883 38.460 0.286 0.000 0.988 193 Y HN -0.075 nan 8.280 nan 0.000 0.518 194 F N 0.323 120.165 119.950 -0.179 0.000 2.134 194 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 194 F C 2.559 178.253 175.800 -0.178 0.000 1.097 194 F CA 1.561 59.404 58.000 -0.262 0.000 1.264 194 F CB -0.906 38.073 39.000 -0.035 0.000 1.001 194 F HN -0.055 nan 8.300 nan 0.000 0.479 195 R N 0.389 120.943 120.500 0.091 0.000 2.094 195 R HA -0.201 4.139 4.340 -0.000 0.000 0.239 195 R C 2.160 178.438 176.300 -0.036 0.000 1.137 195 R CA 1.868 57.982 56.100 0.024 0.000 0.943 195 R CB -0.435 29.840 30.300 -0.041 0.000 0.850 195 R HN 0.252 nan 8.270 nan 0.000 0.433 196 K N -0.016 120.337 120.400 -0.078 0.000 2.148 196 K HA -0.116 4.204 4.320 -0.000 0.000 0.204 196 K C 1.958 178.451 176.600 -0.178 0.000 1.050 196 K CA 0.978 57.211 56.287 -0.091 0.000 0.942 196 K CB 0.125 32.599 32.500 -0.043 0.000 0.724 196 K HN 0.177 nan 8.250 nan 0.000 0.446 197 E N -0.444 119.531 120.200 -0.376 0.000 2.102 197 E HA -0.067 4.283 4.350 -0.000 0.000 0.190 197 E C 1.363 177.720 176.600 -0.404 0.000 0.971 197 E CA 1.185 57.237 56.400 -0.580 0.000 0.821 197 E CB 0.135 29.110 29.700 -1.209 0.000 0.777 197 E HN 0.375 nan 8.360 nan 0.000 0.460 198 Y N -0.746 119.427 120.300 -0.213 0.000 2.430 198 Y HA 0.285 4.835 4.550 -0.000 0.000 0.248 198 Y C 1.687 177.537 175.900 -0.084 0.000 1.108 198 Y CA -0.176 57.834 58.100 -0.151 0.000 1.264 198 Y CB 0.683 39.046 38.460 -0.162 0.000 1.172 198 Y HN -0.167 nan 8.280 nan 0.000 0.520 199 S N 0.070 115.818 115.700 0.080 0.000 2.664 199 S HA 0.133 4.603 4.470 -0.000 0.000 0.245 199 S C 0.323 174.933 174.600 0.015 0.000 1.019 199 S CA -0.472 57.758 58.200 0.049 0.000 0.996 199 S CB -0.234 63.001 63.200 0.059 0.000 0.878 199 S HN 0.153 nan 8.310 nan 0.000 0.493 200 K N 0.917 121.316 120.400 -0.001 0.000 2.491 200 K HA 0.177 4.497 4.320 -0.000 0.000 0.279 200 K C 1.218 177.812 176.600 -0.010 0.000 1.026 200 K CA 1.263 57.543 56.287 -0.012 0.000 1.070 200 K CB -0.156 32.331 32.500 -0.021 0.000 0.887 200 K HN 0.358 nan 8.250 nan 0.000 0.481 201 G N 2.147 110.939 108.800 -0.013 0.000 2.184 201 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.264 201 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.264 201 G C 0.518 175.402 174.900 -0.026 0.000 0.975 201 G CA 0.500 45.586 45.100 -0.023 0.000 0.642 201 G HN 0.470 nan 8.290 nan 0.000 0.536 202 V N 0.298 120.203 119.914 -0.014 0.000 2.602 202 V HA 0.258 4.378 4.120 -0.000 0.000 0.235 202 V C 2.390 178.475 176.094 -0.015 0.000 1.087 202 V CA 2.431 64.722 62.300 -0.015 0.000 1.117 202 V CB 0.166 31.988 31.823 -0.002 0.000 0.820 202 V HN 1.006 nan 8.190 nan 0.000 0.490 203 S N -1.988 113.717 115.700 0.009 0.000 2.604 203 S HA 0.208 4.678 4.470 -0.000 0.000 0.235 203 S C 0.653 175.290 174.600 0.063 0.000 1.043 203 S CA -0.182 58.033 58.200 0.026 0.000 0.997 203 S CB 0.495 63.724 63.200 0.048 0.000 0.956 203 S HN 0.433 nan 8.310 nan 0.000 0.535 204 Q N 0.807 120.637 119.800 0.049 0.000 2.377 204 Q HA 0.647 4.987 4.340 -0.000 0.000 0.271 204 Q C -2.197 173.822 176.000 0.032 0.000 1.077 204 Q CA -0.821 55.025 55.803 0.072 0.000 0.820 204 Q CB 2.110 30.869 28.738 0.035 0.000 1.347 204 Q HN 0.416 nan 8.270 nan 0.000 0.444 205 L N 5.405 126.652 121.223 0.040 0.000 2.555 205 L HA 0.482 4.822 4.340 -0.000 0.000 0.264 205 L C -2.696 174.183 176.870 0.015 0.000 0.972 205 L CA -1.405 53.438 54.840 0.005 0.000 0.876 205 L CB 2.016 44.060 42.059 -0.026 0.000 1.216 205 L HN 0.403 nan 8.230 nan 0.000 0.415 206 P HA 0.183 nan 4.420 nan 0.000 0.271 206 P C -0.837 176.465 177.300 0.004 0.000 1.220 206 P CA 0.048 63.158 63.100 0.016 0.000 0.768 206 P CB 1.057 32.763 31.700 0.009 0.000 0.848 207 L N 3.770 125.003 121.223 0.017 0.000 2.334 207 L HA 0.412 4.752 4.340 -0.000 0.000 0.270 207 L C 2.281 179.132 176.870 -0.031 0.000 1.018 207 L CA -0.993 53.840 54.840 -0.011 0.000 0.811 207 L CB 1.068 43.144 42.059 0.029 0.000 1.271 207 L HN 0.307 nan 8.230 nan 0.000 0.443 208 R N 1.109 121.543 120.500 -0.110 0.000 2.088 208 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 208 R C -0.584 175.699 176.300 -0.029 0.000 1.136 208 R CA 1.760 57.795 56.100 -0.107 0.000 0.926 208 R CB -0.374 29.776 30.300 -0.250 0.000 0.837 208 R HN 0.631 nan 8.270 nan 0.000 0.429 209 Y N -4.033 116.283 120.300 0.026 0.000 2.750 209 Y HA 0.555 5.105 4.550 -0.000 0.000 0.335 209 Y C 0.239 176.105 175.900 -0.056 0.000 1.252 209 Y CA -1.019 57.068 58.100 -0.022 0.000 1.064 209 Y CB 0.221 38.654 38.460 -0.046 0.000 1.321 209 Y HN 0.019 nan 8.280 nan 0.000 0.451 210 G N 0.545 109.344 108.800 -0.002 0.000 2.820 210 G HA2 0.116 4.076 3.960 -0.000 0.000 0.158 210 G HA3 0.116 4.076 3.960 -0.000 0.000 0.158 210 G C 0.588 175.211 174.900 -0.463 0.000 1.715 210 G CA 0.243 45.073 45.100 -0.450 0.000 1.057 210 G HN 0.771 nan 8.290 nan 0.000 0.525 211 M N 0.058 119.267 119.600 -0.651 0.000 2.279 211 M HA 0.087 4.567 4.480 -0.000 0.000 0.264 211 M C 0.333 176.615 176.300 -0.030 0.000 1.062 211 M CA 0.947 56.066 55.300 -0.302 0.000 1.099 211 M CB -0.241 32.208 32.600 -0.253 0.000 1.394 211 M HN 0.341 nan 8.290 nan 0.000 0.426 212 N N -2.281 116.387 118.700 -0.054 0.000 2.647 212 N HA 0.277 5.017 4.740 -0.000 0.000 0.266 212 N C -2.466 172.925 175.510 -0.198 0.000 1.373 212 N CA -1.153 51.876 53.050 -0.035 0.000 0.807 212 N CB 1.079 39.529 38.487 -0.061 0.000 1.513 212 N HN -0.310 nan 8.380 nan 0.000 0.505 213 P HA -0.135 nan 4.420 nan 0.000 0.216 213 P C 1.036 178.112 177.300 -0.374 0.000 1.150 213 P CA 1.469 64.043 63.100 -0.878 0.000 0.837 213 P CB -0.090 31.250 31.700 -0.600 0.000 0.786 214 H N -1.409 117.543 119.070 -0.197 0.000 2.556 214 H HA 0.110 4.666 4.556 -0.000 0.000 0.268 214 H C 0.236 175.531 175.328 -0.056 0.000 0.996 214 H CA 0.377 56.364 56.048 -0.103 0.000 1.157 214 H CB -0.600 29.118 29.762 -0.074 0.000 1.355 214 H HN 0.214 nan 8.280 nan 0.000 0.597 215 Q N 1.473 120.980 119.800 -0.489 0.000 2.503 215 Q HA 0.350 4.690 4.340 -0.000 0.000 0.227 215 Q C -0.829 175.109 176.000 -0.102 0.000 1.109 215 Q CA -0.388 55.219 55.803 -0.326 0.000 0.922 215 Q CB 1.149 29.640 28.738 -0.412 0.000 1.249 215 Q HN 0.197 nan 8.270 nan 0.000 0.530 216 S N 1.755 117.431 115.700 -0.039 0.000 2.564 216 S HA 0.707 5.177 4.470 -0.000 0.000 0.274 216 S C -2.342 172.266 174.600 0.013 0.000 1.124 216 S CA -1.107 57.106 58.200 0.022 0.000 0.869 216 S CB 1.037 64.276 63.200 0.064 0.000 1.105 216 S HN 0.512 nan 8.310 nan 0.000 0.472 217 P HA 0.831 nan 4.420 nan 0.000 0.293 217 P C -1.368 175.961 177.300 0.048 0.000 1.304 217 P CA -0.594 62.532 63.100 0.043 0.000 0.767 217 P CB 0.859 32.583 31.700 0.040 0.000 1.247 218 A N -0.338 122.526 122.820 0.074 0.000 2.605 218 A HA 0.610 4.930 4.320 -0.000 0.000 0.294 218 A C -1.214 176.451 177.584 0.136 0.000 1.062 218 A CA -0.533 51.581 52.037 0.128 0.000 0.682 218 A CB 1.680 20.767 19.000 0.145 0.000 1.278 218 A HN 0.807 nan 8.150 nan 0.000 0.410 219 Q N -0.061 119.843 119.800 0.175 0.000 2.737 219 Q HA 0.807 5.147 4.340 -0.000 0.000 0.307 219 Q C -2.031 174.045 176.000 0.127 0.000 0.905 219 Q CA -0.918 54.965 55.803 0.132 0.000 0.753 219 Q CB 1.451 30.267 28.738 0.129 0.000 1.463 219 Q HN 1.271 nan 8.270 nan 0.000 0.455 220 L N 1.635 122.908 121.223 0.083 0.000 2.386 220 L HA 0.808 5.148 4.340 -0.000 0.000 0.271 220 L C -1.793 175.143 176.870 0.110 0.000 0.993 220 L CA -0.381 54.459 54.840 0.000 0.000 0.819 220 L CB 1.962 43.963 42.059 -0.097 0.000 1.294 220 L HN 0.775 nan 8.230 nan 0.000 0.414 221 Y N 0.694 120.958 120.300 -0.059 0.000 2.677 221 Y HA 0.740 5.290 4.550 0.000 0.000 0.334 221 Y C -1.436 174.437 175.900 -0.044 0.000 1.196 221 Y CA -0.833 57.240 58.100 -0.046 0.000 1.059 221 Y CB 1.239 39.687 38.460 -0.019 0.000 1.315 221 Y HN 0.703 nan 8.280 nan 0.000 0.455 222 T N 0.383 115.004 114.554 0.113 0.000 2.912 222 T HA 0.330 4.680 4.350 -0.000 0.000 0.299 222 T C 0.613 175.416 174.700 0.171 0.000 1.052 222 T CA 0.045 62.160 62.100 0.026 0.000 0.996 222 T CB 1.340 70.189 68.868 -0.032 0.000 1.070 222 T HN 1.187 nan 8.240 nan 0.000 0.465 223 T N 1.777 116.415 114.554 0.139 0.000 3.035 223 T HA 0.146 4.496 4.350 -0.000 0.000 0.268 223 T C 0.913 175.662 174.700 0.081 0.000 1.109 223 T CA 0.396 62.573 62.100 0.130 0.000 1.119 223 T CB -0.162 68.767 68.868 0.102 0.000 0.900 223 T HN 0.551 nan 8.240 nan 0.000 0.503 224 R N 1.604 122.146 120.500 0.071 0.000 2.726 224 R HA 0.253 4.593 4.340 -0.000 0.000 0.272 224 R C -1.550 174.777 176.300 0.046 0.000 1.097 224 R CA -1.760 54.375 56.100 0.058 0.000 1.198 224 R CB -0.251 30.094 30.300 0.075 0.000 1.114 224 R HN 0.058 nan 8.270 nan 0.000 0.550 225 P HA -0.161 nan 4.420 nan 0.000 0.216 225 P C -0.512 176.797 177.300 0.015 0.000 1.153 225 P CA 1.756 64.872 63.100 0.026 0.000 0.858 225 P CB 0.320 32.033 31.700 0.021 0.000 0.789 226 K N -1.616 118.784 120.400 0.001 0.000 2.508 226 K HA 0.412 4.732 4.320 -0.000 0.000 0.260 226 K C -0.842 175.716 176.600 -0.070 0.000 0.949 226 K CA -0.923 55.349 56.287 -0.026 0.000 0.834 226 K CB 1.913 34.395 32.500 -0.030 0.000 1.365 226 K HN -0.158 nan 8.250 nan 0.000 0.437 227 L N 3.791 124.955 121.223 -0.099 0.000 2.367 227 L HA 0.165 4.505 4.340 -0.000 0.000 0.275 227 L C -1.063 175.657 176.870 -0.250 0.000 1.129 227 L CA -1.320 53.411 54.840 -0.181 0.000 0.839 227 L CB 0.760 42.730 42.059 -0.149 0.000 1.133 227 L HN 0.536 nan 8.230 nan 0.000 0.453 228 P HA -0.100 nan 4.420 nan 0.000 0.222 228 P C 0.215 177.299 177.300 -0.361 0.000 1.153 228 P CA 0.811 63.639 63.100 -0.452 0.000 0.798 228 P CB 0.533 31.680 31.700 -0.922 0.000 0.796 229 L N 1.289 122.299 121.223 -0.356 0.000 2.272 229 L HA 0.387 4.727 4.340 -0.000 0.000 0.289 229 L C -0.259 176.492 176.870 -0.198 0.000 1.032 229 L CA -0.306 54.360 54.840 -0.290 0.000 0.810 229 L CB 1.200 43.076 42.059 -0.306 0.000 1.205 229 L HN -0.057 nan 8.230 nan 0.000 0.422 230 T N 1.495 115.954 114.554 -0.158 0.000 2.924 230 T HA 0.599 4.949 4.350 -0.000 0.000 0.291 230 T C -0.467 174.176 174.700 -0.095 0.000 1.045 230 T CA -0.781 61.252 62.100 -0.112 0.000 1.015 230 T CB 1.875 70.688 68.868 -0.091 0.000 1.103 230 T HN 0.234 nan 8.240 nan 0.000 0.496 231 V N 3.030 122.893 119.914 -0.084 0.000 2.383 231 V HA 0.223 4.343 4.120 -0.000 0.000 0.275 231 V C 1.154 177.196 176.094 -0.088 0.000 1.036 231 V CA -0.411 61.840 62.300 -0.082 0.000 0.889 231 V CB 1.085 32.863 31.823 -0.076 0.000 0.985 231 V HN 0.932 nan 8.190 nan 0.000 0.459 232 V N 4.037 123.883 119.914 -0.113 0.000 2.374 232 V HA 0.085 4.205 4.120 -0.000 0.000 0.241 232 V C 0.745 176.762 176.094 -0.128 0.000 1.034 232 V CA 1.084 63.298 62.300 -0.143 0.000 1.037 232 V CB -0.282 31.385 31.823 -0.261 0.000 0.682 232 V HN 0.880 nan 8.190 nan 0.000 0.463 233 N N -1.660 116.960 118.700 -0.133 0.000 2.284 233 N HA 0.552 5.292 4.740 -0.000 0.000 0.289 233 N C -0.095 175.355 175.510 -0.101 0.000 1.179 233 N CA 0.652 53.641 53.050 -0.102 0.000 0.774 233 N CB 1.941 40.374 38.487 -0.091 0.000 1.548 233 N HN 0.528 nan 8.380 nan 0.000 0.473 234 G N 0.465 109.217 108.800 -0.079 0.000 2.801 234 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.244 234 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.244 234 G C -0.708 174.142 174.900 -0.083 0.000 1.385 234 G CA 0.032 45.082 45.100 -0.084 0.000 0.894 234 G HN 0.826 nan 8.290 nan 0.000 0.562 235 S N 1.322 116.974 115.700 -0.080 0.000 2.498 235 S HA 0.726 5.196 4.470 -0.000 0.000 0.317 235 S C -1.709 172.846 174.600 -0.075 0.000 1.090 235 S CA -0.414 57.745 58.200 -0.069 0.000 1.089 235 S CB 1.664 64.833 63.200 -0.053 0.000 0.997 235 S HN 0.791 nan 8.310 nan 0.000 0.470 236 P HA 0.363 nan 4.420 nan 0.000 0.277 236 P C 0.336 177.601 177.300 -0.058 0.000 1.240 236 P CA -0.242 62.835 63.100 -0.039 0.000 0.798 236 P CB 0.862 32.542 31.700 -0.032 0.000 0.979 237 G N 0.425 109.204 108.800 -0.035 0.000 2.532 237 G HA2 0.248 4.208 3.960 -0.000 0.000 0.291 237 G HA3 0.248 4.208 3.960 -0.000 0.000 0.291 237 G C 0.027 174.916 174.900 -0.017 0.000 1.349 237 G CA -0.631 44.426 45.100 -0.071 0.000 1.038 237 G HN 0.461 nan 8.290 nan 0.000 0.518 238 F N -0.527 119.327 119.950 -0.161 0.000 2.104 238 F HA 0.180 4.707 4.527 -0.000 0.000 0.288 238 F C 2.517 178.276 175.800 -0.070 0.000 1.107 238 F CA 0.903 58.838 58.000 -0.108 0.000 1.208 238 F CB -0.225 38.718 39.000 -0.094 0.000 1.033 238 F HN 0.231 nan 8.300 nan 0.000 0.478 239 I N 0.931 121.728 120.570 0.378 0.000 2.248 239 I HA -0.413 3.757 4.170 -0.000 0.000 0.248 239 I C 1.898 178.044 176.117 0.049 0.000 1.107 239 I CA 1.931 63.382 61.300 0.251 0.000 1.373 239 I CB -0.669 37.479 38.000 0.247 0.000 1.055 239 I HN 0.358 nan 8.210 nan 0.000 0.418 240 N N 0.483 119.199 118.700 0.025 0.000 2.104 240 N HA -0.200 4.540 4.740 -0.000 0.000 0.190 240 N C 1.833 177.104 175.510 -0.398 0.000 1.024 240 N CA 1.049 54.064 53.050 -0.058 0.000 0.853 240 N CB -0.081 38.484 38.487 0.130 0.000 1.008 240 N HN 0.322 nan 8.380 nan 0.000 0.424 241 L N 0.252 121.281 121.223 -0.323 0.000 2.141 241 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 241 L C 2.216 178.848 176.870 -0.397 0.000 1.094 241 L CA 0.612 55.213 54.840 -0.399 0.000 0.763 241 L CB -0.478 41.352 42.059 -0.382 0.000 0.908 241 L HN 0.401 nan 8.230 nan 0.000 0.437 242 C N -0.338 118.768 119.300 -0.323 0.000 2.466 242 C HA -0.107 4.353 4.460 -0.000 0.000 0.278 242 C C 2.417 177.248 174.990 -0.265 0.000 1.288 242 C CA 0.148 59.028 59.018 -0.230 0.000 1.722 242 C CB -0.656 27.028 27.740 -0.092 0.000 2.017 242 C HN 0.540 nan 8.230 nan 0.000 0.488 243 D N 1.372 121.602 120.400 -0.283 0.000 2.084 243 D HA -0.075 4.565 4.640 -0.000 0.000 0.196 243 D C 2.380 178.274 176.300 -0.676 0.000 0.985 243 D CA 1.765 55.565 54.000 -0.333 0.000 0.826 243 D CB -0.680 40.053 40.800 -0.112 0.000 0.978 243 D HN 0.455 nan 8.370 nan 0.000 0.456 244 A N 1.498 123.766 122.820 -0.921 0.000 1.869 244 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 244 A C 2.500 179.815 177.584 -0.448 0.000 1.203 244 A CA 1.424 52.960 52.037 -0.835 0.000 0.638 244 A CB -1.067 17.395 19.000 -0.895 0.000 0.831 244 A HN 0.203 nan 8.150 nan 0.000 0.450 245 L N -1.029 119.962 121.223 -0.387 0.000 2.012 245 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 245 L C 2.483 179.181 176.870 -0.288 0.000 1.073 245 L CA 1.874 56.571 54.840 -0.239 0.000 0.748 245 L CB -0.821 41.115 42.059 -0.204 0.000 0.891 245 L HN 0.397 nan 8.230 nan 0.000 0.431 246 N N 0.044 118.480 118.700 -0.440 0.000 2.120 246 N HA -0.144 4.596 4.740 -0.000 0.000 0.188 246 N C 1.836 176.803 175.510 -0.905 0.000 1.024 246 N CA 1.491 54.193 53.050 -0.580 0.000 0.852 246 N CB -0.270 37.952 38.487 -0.442 0.000 1.003 246 N HN 0.317 nan 8.380 nan 0.000 0.424 247 A N 0.520 122.674 122.820 -1.109 0.000 1.877 247 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 247 A C 2.073 179.499 177.584 -0.264 0.000 1.186 247 A CA 1.317 52.901 52.037 -0.755 0.000 0.620 247 A CB -1.235 17.480 19.000 -0.477 0.000 0.822 247 A HN 0.653 nan 8.150 nan 0.000 0.443 248 W N 0.843 121.933 121.300 -0.350 0.000 2.335 248 W HA -0.256 4.404 4.660 0.000 0.000 0.311 248 W C 2.064 178.458 176.519 -0.210 0.000 1.213 248 W CA 2.083 59.302 57.345 -0.210 0.000 1.274 248 W CB -0.342 29.012 29.460 -0.177 0.000 1.148 248 W HN 0.543 nan 8.180 nan 0.000 0.498 249 Q N 0.590 120.137 119.800 -0.423 0.000 2.084 249 Q HA -0.243 4.097 4.340 -0.000 0.000 0.202 249 Q C 2.451 178.162 176.000 -0.481 0.000 0.978 249 Q CA 1.887 57.391 55.803 -0.499 0.000 0.844 249 Q CB -0.679 27.780 28.738 -0.465 0.000 0.898 249 Q HN 0.383 nan 8.270 nan 0.000 0.426 250 L N 0.879 121.736 121.223 -0.609 0.000 1.989 250 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 250 L C 2.387 179.199 176.870 -0.097 0.000 1.071 250 L CA 1.504 56.251 54.840 -0.154 0.000 0.749 250 L CB -0.342 41.738 42.059 0.035 0.000 0.890 250 L HN 0.228 nan 8.230 nan 0.000 0.431 251 V N -2.721 117.076 119.914 -0.196 0.000 2.427 251 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 251 V C 2.504 178.409 176.094 -0.315 0.000 1.051 251 V CA 2.039 64.223 62.300 -0.194 0.000 1.048 251 V CB -0.994 30.723 31.823 -0.176 0.000 0.666 251 V HN 0.504 nan 8.190 nan 0.000 0.456 252 K N 0.350 120.414 120.400 -0.560 0.000 2.057 252 K HA -0.189 4.131 4.320 -0.000 0.000 0.207 252 K C 2.232 178.683 176.600 -0.248 0.000 1.049 252 K CA 2.002 57.965 56.287 -0.539 0.000 0.931 252 K CB -0.214 31.850 32.500 -0.726 0.000 0.714 252 K HN 0.642 nan 8.250 nan 0.000 0.440 253 E N 0.385 120.486 120.200 -0.165 0.000 2.338 253 E HA -0.132 4.218 4.350 -0.000 0.000 0.197 253 E C 1.924 178.503 176.600 -0.034 0.000 1.007 253 E CA 0.492 56.860 56.400 -0.053 0.000 0.849 253 E CB 0.143 29.869 29.700 0.043 0.000 0.774 253 E HN 0.369 nan 8.360 nan 0.000 0.506 254 L N 0.484 121.676 121.223 -0.051 0.000 2.071 254 L HA -0.082 4.258 4.340 -0.000 0.000 0.201 254 L C 2.604 179.454 176.870 -0.033 0.000 1.076 254 L CA 0.868 55.694 54.840 -0.022 0.000 0.755 254 L CB -0.272 41.782 42.059 -0.009 0.000 0.915 254 L HN -0.022 nan 8.230 nan 0.000 0.445 255 K N -0.083 120.281 120.400 -0.060 0.000 2.152 255 K HA -0.223 4.098 4.320 -0.000 0.000 0.206 255 K C 2.077 178.654 176.600 -0.039 0.000 1.048 255 K CA 1.368 57.627 56.287 -0.046 0.000 0.933 255 K CB 0.112 32.576 32.500 -0.060 0.000 0.721 255 K HN 0.348 nan 8.250 nan 0.000 0.447 256 Q N -0.730 119.040 119.800 -0.051 0.000 2.046 256 Q HA -0.078 4.262 4.340 -0.000 0.000 0.200 256 Q C 1.895 177.884 176.000 -0.019 0.000 0.975 256 Q CA 1.430 57.211 55.803 -0.036 0.000 0.836 256 Q CB -0.008 28.703 28.738 -0.044 0.000 0.896 256 Q HN 0.357 nan 8.270 nan 0.000 0.428 257 A N -0.279 122.533 122.820 -0.013 0.000 2.208 257 A HA 0.076 4.396 4.320 -0.000 0.000 0.209 257 A C 1.475 179.061 177.584 0.004 0.000 1.161 257 A CA 0.601 52.640 52.037 0.003 0.000 0.782 257 A CB 0.173 19.183 19.000 0.018 0.000 0.816 257 A HN 0.276 nan 8.150 nan 0.000 0.477 258 L N -2.727 118.494 121.223 -0.004 0.000 3.174 258 L HA 0.265 4.605 4.340 -0.000 0.000 0.283 258 L C 1.486 178.352 176.870 -0.007 0.000 1.187 258 L CA 0.377 55.213 54.840 -0.006 0.000 1.018 258 L CB 0.308 42.364 42.059 -0.006 0.000 1.433 258 L HN 0.437 nan 8.230 nan 0.000 0.593 259 G N 1.886 110.681 108.800 -0.008 0.000 2.212 259 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.267 259 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.267 259 G C 0.189 175.088 174.900 -0.002 0.000 1.002 259 G CA 0.691 45.788 45.100 -0.006 0.000 0.729 259 G HN 0.349 nan 8.290 nan 0.000 0.517 260 I N -0.116 120.453 120.570 -0.001 0.000 2.603 260 I HA 0.346 4.516 4.170 -0.000 0.000 0.300 260 I C -2.298 173.824 176.117 0.008 0.000 1.017 260 I CA -2.845 58.459 61.300 0.007 0.000 1.098 260 I CB 2.247 40.254 38.000 0.011 0.000 1.279 260 I HN -0.228 nan 8.210 nan 0.000 0.437 261 P HA 0.111 nan 4.420 nan 0.000 0.267 261 P C -0.925 176.392 177.300 0.028 0.000 1.205 261 P CA 0.164 63.276 63.100 0.019 0.000 0.765 261 P CB 0.703 32.421 31.700 0.030 0.000 0.828 262 A N 2.782 125.614 122.820 0.019 0.000 2.346 262 A HA 0.946 5.266 4.320 -0.000 0.000 0.313 262 A C -0.961 176.661 177.584 0.063 0.000 1.140 262 A CA -0.436 51.622 52.037 0.035 0.000 0.826 262 A CB 1.595 20.598 19.000 0.005 0.000 1.332 262 A HN 0.528 nan 8.150 nan 0.000 0.457 263 A N -1.073 121.810 122.820 0.106 0.000 2.605 263 A HA 0.883 5.203 4.320 -0.000 0.000 0.294 263 A C -0.675 177.036 177.584 0.212 0.000 1.062 263 A CA 0.122 52.261 52.037 0.171 0.000 0.682 263 A CB 0.865 20.022 19.000 0.261 0.000 1.278 263 A HN 2.585 nan 8.150 nan 0.000 0.410 264 A N -0.035 122.945 122.820 0.267 0.000 2.539 264 A HA 0.876 5.196 4.320 -0.000 0.000 0.296 264 A C -0.505 177.316 177.584 0.395 0.000 1.073 264 A CA 0.035 52.256 52.037 0.307 0.000 0.700 264 A CB 1.614 20.816 19.000 0.336 0.000 1.296 264 A HN 1.902 nan 8.150 nan 0.000 0.405 265 S N 0.962 116.871 115.700 0.349 0.000 2.622 265 S HA 0.655 5.125 4.470 -0.000 0.000 0.283 265 S C -1.335 173.427 174.600 0.270 0.000 1.197 265 S CA -0.285 58.131 58.200 0.360 0.000 1.146 265 S CB -0.511 62.869 63.200 0.300 0.000 1.007 265 S HN 0.428 nan 8.310 nan 0.000 0.478 266 F N 3.226 123.313 119.950 0.228 0.000 2.377 266 F HA 0.659 5.186 4.527 0.000 0.000 0.328 266 F C 0.488 176.407 175.800 0.198 0.000 1.094 266 F CA -0.402 57.715 58.000 0.195 0.000 1.093 266 F CB 1.408 40.504 39.000 0.161 0.000 1.214 266 F HN 0.452 nan 8.300 nan 0.000 0.518 267 K N 1.728 122.298 120.400 0.285 0.000 2.579 267 K HA 0.201 4.521 4.320 -0.000 0.000 0.283 267 K C -1.237 175.502 176.600 0.232 0.000 1.069 267 K CA -0.463 55.943 56.287 0.199 0.000 0.977 267 K CB 0.237 32.816 32.500 0.132 0.000 1.334 267 K HN 0.713 nan 8.250 nan 0.000 0.462 268 H N 2.412 121.615 119.070 0.221 0.000 2.973 268 H HA -0.125 4.431 4.556 -0.000 0.000 0.285 268 H C 0.279 175.733 175.328 0.210 0.000 1.277 268 H CA 1.040 57.199 56.048 0.185 0.000 1.137 268 H CB -1.709 28.137 29.762 0.139 0.000 1.326 268 H HN 0.644 nan 8.280 nan 0.000 0.398 269 V N -2.286 117.880 119.914 0.420 0.000 1.963 269 V HA -0.341 3.779 4.120 -0.000 0.000 0.089 269 V C 0.860 177.290 176.094 0.560 0.000 0.495 269 V CA 1.900 64.472 62.300 0.454 0.000 1.412 269 V CB -1.563 30.416 31.823 0.262 0.000 1.645 269 V HN 0.556 nan 8.190 nan 0.000 0.889 270 S N 0.962 116.845 115.700 0.305 0.000 2.500 270 S HA 0.617 5.087 4.470 -0.000 0.000 0.301 270 S C -2.425 171.842 174.600 -0.554 0.000 1.092 270 S CA -0.929 57.275 58.200 0.008 0.000 1.030 270 S CB 2.756 65.988 63.200 0.054 0.000 1.031 270 S HN 0.352 nan 8.310 nan 0.000 0.483 271 P HA 0.187 nan 4.420 nan 0.000 0.271 271 P C -0.164 176.929 177.300 -0.345 0.000 1.216 271 P CA -0.091 62.411 63.100 -0.996 0.000 0.771 271 P CB 1.143 32.474 31.700 -0.614 0.000 0.864 272 A N 3.709 126.406 122.820 -0.205 0.000 1.924 272 A HA 0.442 4.762 4.320 -0.000 0.000 0.211 272 A C 1.124 178.707 177.584 -0.001 0.000 1.198 272 A CA 1.271 53.287 52.037 -0.035 0.000 0.657 272 A CB -0.538 18.488 19.000 0.042 0.000 0.852 272 A HN 0.647 nan 8.150 nan 0.000 0.454 273 G N -2.298 106.509 108.800 0.011 0.000 2.690 273 G HA2 0.700 4.660 3.960 -0.000 0.000 0.293 273 G HA3 0.700 4.660 3.960 -0.000 0.000 0.293 273 G C -1.125 173.813 174.900 0.064 0.000 1.399 273 G CA 0.049 45.172 45.100 0.038 0.000 0.890 273 G HN 1.238 nan 8.290 nan 0.000 0.485 274 A N -0.935 121.923 122.820 0.064 0.000 2.599 274 A HA 1.097 5.417 4.320 -0.000 0.000 0.294 274 A C -0.395 177.234 177.584 0.074 0.000 1.055 274 A CA 0.342 52.436 52.037 0.095 0.000 0.683 274 A CB 1.219 20.276 19.000 0.095 0.000 1.278 274 A HN 2.656 nan 8.150 nan 0.000 0.412 275 A N -0.462 122.411 122.820 0.087 0.000 2.410 275 A HA 0.836 5.156 4.320 -0.000 0.000 0.300 275 A C -1.081 176.544 177.584 0.068 0.000 1.077 275 A CA 0.124 52.202 52.037 0.068 0.000 0.610 275 A CB -0.058 18.983 19.000 0.069 0.000 1.371 275 A HN 2.356 nan 8.150 nan 0.000 0.510 276 V N -2.301 117.647 119.914 0.056 0.000 2.914 276 V HA 0.825 4.945 4.120 -0.000 0.000 0.314 276 V C 0.810 176.939 176.094 0.058 0.000 1.084 276 V CA -0.148 62.182 62.300 0.049 0.000 0.963 276 V CB 1.434 33.275 31.823 0.030 0.000 1.025 276 V HN 2.078 nan 8.190 nan 0.000 0.432 277 G N 2.151 110.986 108.800 0.058 0.000 3.100 277 G HA2 0.220 4.180 3.960 -0.000 0.000 0.246 277 G HA3 0.220 4.180 3.960 -0.000 0.000 0.246 277 G C -0.016 174.922 174.900 0.063 0.000 0.898 277 G CA 0.092 45.231 45.100 0.065 0.000 1.934 277 G HN 0.520 nan 8.290 nan 0.000 0.600 278 I N 1.071 121.681 120.570 0.066 0.000 2.556 278 I HA 0.214 4.384 4.170 -0.000 0.000 0.284 278 I C -1.683 174.488 176.117 0.089 0.000 1.114 278 I CA -2.485 58.856 61.300 0.068 0.000 1.418 278 I CB 1.256 39.297 38.000 0.069 0.000 1.394 278 I HN 0.059 nan 8.210 nan 0.000 0.552 279 P HA 0.112 nan 4.420 nan 0.000 0.269 279 P C -1.244 176.145 177.300 0.148 0.000 1.217 279 P CA -0.055 63.113 63.100 0.114 0.000 0.783 279 P CB 0.397 32.151 31.700 0.089 0.000 0.898 280 L N 0.586 121.935 121.223 0.210 0.000 2.322 280 L HA 0.395 4.735 4.340 -0.000 0.000 0.281 280 L C 0.577 177.631 176.870 0.306 0.000 1.014 280 L CA -0.427 54.544 54.840 0.219 0.000 0.815 280 L CB 1.011 43.145 42.059 0.127 0.000 1.247 280 L HN 0.300 nan 8.230 nan 0.000 0.421 281 S N 0.465 116.304 115.700 0.231 0.000 2.560 281 S HA -0.023 4.447 4.470 -0.000 0.000 0.276 281 S C 1.071 175.867 174.600 0.327 0.000 1.350 281 S CA 0.009 58.347 58.200 0.230 0.000 1.024 281 S CB 0.555 63.869 63.200 0.190 0.000 0.864 281 S HN 0.822 nan 8.310 nan 0.000 0.536 282 E N 1.424 121.831 120.200 0.345 0.000 2.209 282 E HA -0.237 4.113 4.350 -0.000 0.000 0.196 282 E C 1.356 178.143 176.600 0.313 0.000 0.993 282 E CA 1.698 58.357 56.400 0.431 0.000 0.819 282 E CB -0.143 29.724 29.700 0.278 0.000 0.745 282 E HN 0.876 nan 8.360 nan 0.000 0.477 283 E N 0.387 120.703 120.200 0.192 0.000 2.005 283 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 283 E C 2.047 178.661 176.600 0.023 0.000 0.987 283 E CA 0.931 57.386 56.400 0.092 0.000 0.814 283 E CB -0.339 29.411 29.700 0.084 0.000 0.772 283 E HN 0.082 nan 8.360 nan 0.000 0.453 284 E N 1.492 121.721 120.200 0.049 0.000 2.197 284 E HA -0.287 4.063 4.350 -0.000 0.000 0.205 284 E C 1.756 178.345 176.600 -0.020 0.000 1.029 284 E CA 1.721 58.135 56.400 0.023 0.000 0.828 284 E CB -0.348 29.453 29.700 0.168 0.000 0.737 284 E HN 0.295 nan 8.360 nan 0.000 0.464 285 A N 0.210 123.004 122.820 -0.044 0.000 1.877 285 A HA -0.259 4.061 4.320 -0.000 0.000 0.216 285 A C 2.169 179.714 177.584 -0.065 0.000 1.186 285 A CA 1.887 53.814 52.037 -0.183 0.000 0.620 285 A CB -0.624 18.026 19.000 -0.582 0.000 0.822 285 A HN 0.454 nan 8.150 nan 0.000 0.443 286 Q N -0.403 119.401 119.800 0.008 0.000 2.124 286 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 286 Q C 1.932 177.885 176.000 -0.077 0.000 0.977 286 Q CA 1.510 57.301 55.803 -0.020 0.000 0.850 286 Q CB -0.399 28.290 28.738 -0.083 0.000 0.901 286 Q HN 0.478 nan 8.270 nan 0.000 0.429 287 V N 0.056 119.888 119.914 -0.136 0.000 3.026 287 V HA -0.193 3.927 4.120 -0.000 0.000 0.265 287 V C 1.440 177.487 176.094 -0.078 0.000 1.121 287 V CA 0.992 63.174 62.300 -0.196 0.000 1.142 287 V CB -0.193 31.350 31.823 -0.467 0.000 0.730 287 V HN 0.445 nan 8.190 nan 0.000 0.503 288 C N 0.446 119.717 119.300 -0.047 0.000 2.760 288 C HA 0.372 4.832 4.460 -0.000 0.000 0.293 288 C C 1.121 176.092 174.990 -0.031 0.000 1.383 288 C CA -0.852 58.153 59.018 -0.021 0.000 1.771 288 C CB -0.922 26.809 27.740 -0.015 0.000 2.353 288 C HN 0.618 nan 8.230 nan 0.000 0.578 289 M N 0.509 120.090 119.600 -0.031 0.000 2.175 289 M HA -0.154 4.326 4.480 -0.000 0.000 0.192 289 M C 0.493 176.785 176.300 -0.014 0.000 0.473 289 M CA 0.840 56.126 55.300 -0.025 0.000 0.414 289 M CB -2.194 30.388 32.600 -0.030 0.000 1.069 289 M HN 0.497 nan 8.290 nan 0.000 0.933 290 V N -5.566 114.340 119.914 -0.013 0.000 3.544 290 V HA 0.094 4.214 4.120 -0.000 0.000 0.298 290 V C 1.434 177.509 176.094 -0.033 0.000 1.580 290 V CA 0.721 63.007 62.300 -0.023 0.000 1.122 290 V CB -0.331 31.462 31.823 -0.050 0.000 0.951 290 V HN 0.596 nan 8.190 nan 0.000 0.448 291 H N 3.443 122.450 119.070 -0.104 0.000 2.518 291 H HA -0.197 4.359 4.556 -0.000 0.000 0.294 291 H C 1.605 176.940 175.328 0.012 0.000 1.083 291 H CA 2.496 58.498 56.048 -0.077 0.000 1.264 291 H CB 0.031 29.771 29.762 -0.037 0.000 1.370 291 H HN 0.772 nan 8.280 nan 0.000 0.560 292 D N -0.635 119.815 120.400 0.084 0.000 2.349 292 D HA -0.000 4.640 4.640 -0.000 0.000 0.215 292 D C 1.056 177.369 176.300 0.022 0.000 1.016 292 D CA 0.603 54.643 54.000 0.066 0.000 0.870 292 D CB 0.125 40.974 40.800 0.080 0.000 0.917 292 D HN 0.484 nan 8.370 nan 0.000 0.524 293 L N -1.468 119.762 121.223 0.012 0.000 3.135 293 L HA 0.342 4.682 4.340 -0.000 0.000 0.279 293 L C 1.512 178.418 176.870 0.060 0.000 1.200 293 L CA -0.473 54.384 54.840 0.027 0.000 1.016 293 L CB -0.456 41.618 42.059 0.025 0.000 1.391 293 L HN 0.020 nan 8.230 nan 0.000 0.588 294 H N 1.824 120.855 119.070 -0.064 0.000 2.394 294 H HA -0.152 4.404 4.556 -0.000 0.000 0.297 294 H C 1.518 176.820 175.328 -0.044 0.000 1.113 294 H CA 1.131 57.139 56.048 -0.067 0.000 1.277 294 H CB 0.527 30.201 29.762 -0.148 0.000 1.370 294 H HN 0.133 nan 8.280 nan 0.000 0.506 295 K N 0.303 120.748 120.400 0.075 0.000 2.442 295 K HA -0.062 4.258 4.320 -0.000 0.000 0.200 295 K C 0.193 176.810 176.600 0.027 0.000 1.045 295 K CA 1.014 57.311 56.287 0.017 0.000 0.937 295 K CB -0.128 32.376 32.500 0.006 0.000 0.757 295 K HN 0.335 nan 8.250 nan 0.000 0.474 296 T N 0.478 115.063 114.554 0.051 0.000 3.313 296 T HA 0.449 4.799 4.350 -0.000 0.000 0.333 296 T C -0.248 174.490 174.700 0.064 0.000 0.904 296 T CA -0.562 61.565 62.100 0.046 0.000 1.079 296 T CB 0.556 69.445 68.868 0.035 0.000 1.017 296 T HN -0.077 nan 8.240 nan 0.000 0.471 297 L N 3.203 124.470 121.223 0.074 0.000 2.490 297 L HA 0.373 4.713 4.340 -0.000 0.000 0.256 297 L C 0.946 177.859 176.870 0.072 0.000 1.089 297 L CA -0.959 53.931 54.840 0.085 0.000 0.916 297 L CB 1.260 43.394 42.059 0.124 0.000 1.188 297 L HN 0.748 nan 8.230 nan 0.000 0.476 298 T N -1.641 112.949 114.554 0.061 0.000 2.855 298 T HA 0.121 4.471 4.350 -0.000 0.000 0.322 298 T C -1.624 173.113 174.700 0.062 0.000 1.088 298 T CA -0.853 61.278 62.100 0.053 0.000 1.104 298 T CB 0.872 69.767 68.868 0.045 0.000 0.996 298 T HN 0.182 nan 8.240 nan 0.000 0.549 299 P HA -0.105 nan 4.420 nan 0.000 0.215 299 P C 1.751 179.093 177.300 0.071 0.000 1.157 299 P CA 0.534 63.669 63.100 0.059 0.000 0.874 299 P CB -0.091 31.636 31.700 0.045 0.000 0.790 300 L N -0.380 120.882 121.223 0.065 0.000 1.989 300 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 300 L C 2.300 179.240 176.870 0.115 0.000 1.071 300 L CA 2.343 57.230 54.840 0.079 0.000 0.749 300 L CB -1.528 40.564 42.059 0.054 0.000 0.890 300 L HN -0.101 nan 8.230 nan 0.000 0.431 301 A N -0.785 122.097 122.820 0.103 0.000 1.873 301 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 301 A C 2.495 180.160 177.584 0.134 0.000 1.193 301 A CA 2.646 54.759 52.037 0.127 0.000 0.629 301 A CB -1.383 17.673 19.000 0.094 0.000 0.826 301 A HN 0.692 nan 8.150 nan 0.000 0.447 302 S N -0.169 115.593 115.700 0.104 0.000 2.447 302 S HA 0.125 4.595 4.470 -0.000 0.000 0.233 302 S C 1.959 176.619 174.600 0.100 0.000 1.006 302 S CA 1.262 59.518 58.200 0.094 0.000 0.957 302 S CB -0.503 62.753 63.200 0.093 0.000 0.773 302 S HN 0.914 nan 8.310 nan 0.000 0.507 303 A N 0.545 123.436 122.820 0.118 0.000 1.929 303 A HA 0.068 4.388 4.320 -0.000 0.000 0.216 303 A C 2.027 179.712 177.584 0.169 0.000 1.176 303 A CA 1.239 53.351 52.037 0.124 0.000 0.628 303 A CB -1.052 18.016 19.000 0.114 0.000 0.816 303 A HN 0.632 nan 8.150 nan 0.000 0.444 304 Y N 0.751 121.092 120.300 0.068 0.000 2.133 304 Y HA 0.016 4.566 4.550 0.000 0.000 0.287 304 Y C 2.607 178.557 175.900 0.084 0.000 1.134 304 Y CA 0.924 59.070 58.100 0.077 0.000 1.133 304 Y CB -0.909 37.593 38.460 0.070 0.000 0.987 304 Y HN 0.277 nan 8.280 nan 0.000 0.502 305 A N 0.653 123.341 122.820 -0.221 0.000 2.084 305 A HA -0.215 4.105 4.320 -0.000 0.000 0.221 305 A C 2.241 179.740 177.584 -0.142 0.000 1.161 305 A CA 1.743 53.615 52.037 -0.275 0.000 0.653 305 A CB -0.655 18.290 19.000 -0.093 0.000 0.802 305 A HN 0.570 nan 8.150 nan 0.000 0.457 306 R N -0.712 119.765 120.500 -0.039 0.000 2.275 306 R HA 0.061 4.401 4.340 -0.000 0.000 0.199 306 R C 1.885 178.205 176.300 0.032 0.000 0.989 306 R CA 0.986 57.117 56.100 0.053 0.000 1.016 306 R CB -0.030 30.324 30.300 0.089 0.000 0.918 306 R HN 0.516 nan 8.270 nan 0.000 0.473 307 S N 0.434 116.114 115.700 -0.033 0.000 2.371 307 S HA -0.009 4.461 4.470 -0.000 0.000 0.219 307 S C 1.739 176.322 174.600 -0.028 0.000 1.040 307 S CA 0.460 58.670 58.200 0.016 0.000 0.958 307 S CB 0.020 63.298 63.200 0.131 0.000 0.860 307 S HN 0.150 nan 8.310 nan 0.000 0.487 308 R N 1.650 122.018 120.500 -0.219 0.000 2.070 308 R HA -0.016 4.324 4.340 -0.000 0.000 0.233 308 R C 2.196 178.486 176.300 -0.017 0.000 1.137 308 R CA 1.742 57.749 56.100 -0.155 0.000 0.945 308 R CB -1.066 29.009 30.300 -0.376 0.000 0.845 308 R HN 0.398 nan 8.270 nan 0.000 0.430 309 G N -0.836 107.958 108.800 -0.010 0.000 2.625 309 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.214 309 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.214 309 G C 1.326 176.374 174.900 0.247 0.000 1.132 309 G CA 0.585 45.751 45.100 0.110 0.000 0.782 309 G HN 0.478 nan 8.290 nan 0.000 0.538 310 A N -0.374 122.560 122.820 0.189 0.000 2.015 310 A HA 0.143 4.463 4.320 -0.000 0.000 0.219 310 A C 1.080 178.791 177.584 0.212 0.000 1.163 310 A CA 1.444 53.593 52.037 0.188 0.000 0.646 310 A CB 0.160 19.190 19.000 0.051 0.000 0.806 310 A HN 0.245 nan 8.150 nan 0.000 0.448 311 D N -2.090 118.412 120.400 0.171 0.000 2.881 311 D HA 0.169 4.809 4.640 -0.000 0.000 0.238 311 D C 0.744 177.126 176.300 0.137 0.000 1.368 311 D CA -0.419 53.676 54.000 0.159 0.000 0.871 311 D CB 0.140 41.015 40.800 0.124 0.000 1.516 311 D HN -0.048 nan 8.370 nan 0.000 0.544 312 R N 1.189 121.770 120.500 0.136 0.000 2.154 312 R HA -0.140 4.200 4.340 -0.000 0.000 0.248 312 R C 1.772 178.148 176.300 0.127 0.000 1.155 312 R CA 1.110 57.279 56.100 0.115 0.000 0.979 312 R CB -0.160 30.196 30.300 0.093 0.000 0.869 312 R HN 0.504 nan 8.270 nan 0.000 0.452 313 M N -0.501 119.167 119.600 0.113 0.000 2.102 313 M HA -0.069 4.411 4.480 -0.000 0.000 0.259 313 M C 2.190 178.566 176.300 0.127 0.000 1.083 313 M CA 1.299 56.654 55.300 0.093 0.000 1.141 313 M CB -0.316 32.327 32.600 0.071 0.000 1.318 313 M HN -0.008 nan 8.290 nan 0.000 0.421 314 S N 0.545 116.319 115.700 0.123 0.000 2.461 314 S HA -0.105 4.365 4.470 -0.000 0.000 0.246 314 S C 1.404 176.100 174.600 0.161 0.000 1.007 314 S CA 0.804 59.084 58.200 0.133 0.000 0.976 314 S CB -0.139 63.127 63.200 0.111 0.000 0.763 314 S HN 0.380 nan 8.310 nan 0.000 0.508 315 S N -0.252 115.555 115.700 0.179 0.000 2.646 315 S HA 0.453 4.923 4.470 -0.000 0.000 0.192 315 S C 0.055 174.838 174.600 0.305 0.000 1.218 315 S CA -0.415 57.907 58.200 0.203 0.000 1.545 315 S CB -0.289 63.018 63.200 0.179 0.000 0.737 315 S HN 0.506 nan 8.310 nan 0.000 0.467 316 F N 1.033 121.036 119.950 0.090 0.000 2.111 316 F HA -0.031 4.496 4.527 -0.000 0.000 0.433 316 F C 0.688 176.534 175.800 0.078 0.000 1.193 316 F CA 0.883 58.928 58.000 0.076 0.000 1.413 316 F CB -1.021 38.016 39.000 0.062 0.000 2.218 316 F HN 0.883 nan 8.300 nan 0.000 0.736 317 G N 3.490 112.076 108.800 -0.356 0.000 2.143 317 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.248 317 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.248 317 G C 0.029 174.909 174.900 -0.033 0.000 0.991 317 G CA 0.281 45.224 45.100 -0.260 0.000 0.689 317 G HN 1.610 nan 8.290 nan 0.000 0.522 318 D N -0.655 119.776 120.400 0.053 0.000 2.362 318 D HA 0.362 5.002 4.640 -0.000 0.000 0.238 318 D C -0.155 176.233 176.300 0.147 0.000 1.212 318 D CA -0.577 53.519 54.000 0.159 0.000 0.902 318 D CB 0.599 41.532 40.800 0.221 0.000 1.180 318 D HN 0.125 nan 8.370 nan 0.000 0.445 319 F N 0.723 120.771 119.950 0.163 0.000 2.347 319 F HA 0.376 4.903 4.527 -0.000 0.000 0.366 319 F C -0.369 175.533 175.800 0.170 0.000 1.107 319 F CA -1.335 56.743 58.000 0.130 0.000 1.058 319 F CB 0.282 39.343 39.000 0.100 0.000 1.236 319 F HN 0.219 nan 8.300 nan 0.000 0.456 320 I N 5.376 126.058 120.570 0.187 0.000 2.496 320 I HA 0.433 4.603 4.170 -0.000 0.000 0.285 320 I C 0.185 176.468 176.117 0.277 0.000 1.080 320 I CA -0.263 61.141 61.300 0.174 0.000 1.404 320 I CB 0.853 38.760 38.000 -0.155 0.000 1.403 320 I HN 0.664 nan 8.210 nan 0.000 0.539 321 A N 7.876 130.846 122.820 0.250 0.000 2.343 321 A HA 0.824 5.144 4.320 -0.000 0.000 0.316 321 A C -0.783 176.898 177.584 0.161 0.000 1.104 321 A CA -0.549 51.637 52.037 0.248 0.000 0.768 321 A CB 0.858 20.003 19.000 0.241 0.000 1.213 321 A HN 0.675 nan 8.150 nan 0.000 0.456 322 L N 2.338 123.654 121.223 0.155 0.000 2.333 322 L HA 0.385 4.725 4.340 -0.000 0.000 0.280 322 L C 1.436 178.379 176.870 0.120 0.000 1.004 322 L CA -0.544 54.345 54.840 0.081 0.000 0.820 322 L CB 1.902 43.953 42.059 -0.013 0.000 1.247 322 L HN 0.831 nan 8.230 nan 0.000 0.416 323 S N 1.338 117.061 115.700 0.038 0.000 2.383 323 S HA -0.073 4.397 4.470 -0.000 0.000 0.227 323 S C 0.422 175.044 174.600 0.037 0.000 1.026 323 S CA 1.294 59.476 58.200 -0.030 0.000 0.981 323 S CB 0.023 63.188 63.200 -0.058 0.000 0.818 323 S HN 0.798 nan 8.310 nan 0.000 0.472 324 D N -0.917 119.500 120.400 0.028 0.000 2.621 324 D HA 0.430 5.070 4.640 -0.000 0.000 0.255 324 D C -0.513 175.765 176.300 -0.036 0.000 1.122 324 D CA -0.671 53.339 54.000 0.018 0.000 1.096 324 D CB 0.605 41.410 40.800 0.009 0.000 1.282 324 D HN 0.092 nan 8.370 nan 0.000 0.619 325 I N 1.308 121.852 120.570 -0.044 0.000 2.752 325 I HA -0.060 4.110 4.170 -0.000 0.000 0.286 325 I C 0.468 176.521 176.117 -0.106 0.000 1.180 325 I CA -0.040 61.202 61.300 -0.097 0.000 1.404 325 I CB -0.021 37.957 38.000 -0.037 0.000 1.389 325 I HN 0.326 nan 8.210 nan 0.000 0.549 326 C N 8.014 127.182 119.300 -0.220 0.000 2.638 326 C HA 0.046 4.506 4.460 -0.000 0.000 0.410 326 C C 0.316 175.299 174.990 -0.011 0.000 1.404 326 C CA -0.505 58.437 59.018 -0.128 0.000 1.651 326 C CB -1.378 26.258 27.740 -0.175 0.000 2.495 326 C HN 0.820 nan 8.230 nan 0.000 0.606 327 D N 4.080 124.485 120.400 0.008 0.000 2.217 327 D HA 0.314 4.954 4.640 -0.000 0.000 0.248 327 D C 0.798 177.119 176.300 0.036 0.000 1.008 327 D CA -0.845 53.171 54.000 0.027 0.000 0.914 327 D CB 1.074 41.889 40.800 0.025 0.000 1.182 327 D HN 0.234 nan 8.370 nan 0.000 0.451 328 V N 1.527 121.462 119.914 0.035 0.000 2.317 328 V HA -0.198 3.922 4.120 -0.000 0.000 0.251 328 V C -0.885 175.227 176.094 0.031 0.000 1.065 328 V CA 2.096 64.415 62.300 0.031 0.000 1.049 328 V CB -1.373 30.465 31.823 0.025 0.000 0.651 328 V HN 0.646 nan 8.190 nan 0.000 0.450 329 P HA -0.125 nan 4.420 nan 0.000 0.215 329 P C 1.877 179.209 177.300 0.053 0.000 1.157 329 P CA 1.824 64.950 63.100 0.042 0.000 0.868 329 P CB -0.219 31.509 31.700 0.047 0.000 0.788 330 T N -0.566 114.022 114.554 0.056 0.000 2.684 330 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 330 T C 1.806 176.534 174.700 0.046 0.000 1.036 330 T CA 1.775 63.916 62.100 0.068 0.000 1.148 330 T CB -1.018 67.876 68.868 0.043 0.000 0.863 330 T HN 0.053 nan 8.240 nan 0.000 0.436 331 A N 2.207 125.042 122.820 0.026 0.000 1.834 331 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 331 A C 2.240 179.820 177.584 -0.006 0.000 1.203 331 A CA 1.663 53.700 52.037 -0.001 0.000 0.621 331 A CB -0.653 18.350 19.000 0.005 0.000 0.841 331 A HN 0.242 nan 8.150 nan 0.000 0.446 332 K N -0.339 120.064 120.400 0.006 0.000 2.137 332 K HA -0.257 4.063 4.320 -0.000 0.000 0.216 332 K C 1.821 178.430 176.600 0.016 0.000 1.052 332 K CA 2.105 58.396 56.287 0.006 0.000 0.939 332 K CB -0.958 31.552 32.500 0.016 0.000 0.724 332 K HN 0.681 nan 8.250 nan 0.000 0.465 333 I N 0.448 121.048 120.570 0.050 0.000 2.058 333 I HA -0.319 3.851 4.170 -0.000 0.000 0.235 333 I C 2.465 178.630 176.117 0.080 0.000 1.053 333 I CA 1.363 62.717 61.300 0.089 0.000 1.313 333 I CB -0.438 37.675 38.000 0.187 0.000 1.039 333 I HN 0.076 nan 8.210 nan 0.000 0.396 334 I N 1.094 121.710 120.570 0.077 0.000 2.143 334 I HA -0.383 3.787 4.170 -0.000 0.000 0.245 334 I C 2.745 178.794 176.117 -0.113 0.000 1.068 334 I CA 2.140 63.435 61.300 -0.009 0.000 1.326 334 I CB -0.575 37.344 38.000 -0.134 0.000 1.028 334 I HN 0.412 nan 8.210 nan 0.000 0.412 335 S N 1.334 116.953 115.700 -0.135 0.000 2.500 335 S HA -0.198 4.272 4.470 -0.000 0.000 0.239 335 S C 1.776 176.316 174.600 -0.100 0.000 0.989 335 S CA 1.108 59.209 58.200 -0.165 0.000 0.951 335 S CB -0.523 62.600 63.200 -0.128 0.000 0.759 335 S HN 0.656 nan 8.310 nan 0.000 0.523 336 R N -0.022 120.448 120.500 -0.050 0.000 2.397 336 R HA 0.381 4.721 4.340 -0.000 0.000 0.241 336 R C -0.074 176.221 176.300 -0.007 0.000 0.914 336 R CA -0.339 55.745 56.100 -0.026 0.000 1.071 336 R CB 0.208 30.501 30.300 -0.012 0.000 1.116 336 R HN 0.240 nan 8.270 nan 0.000 0.524 337 E N 1.202 121.402 120.200 -0.001 0.000 2.264 337 E HA 0.278 4.628 4.350 -0.000 0.000 0.260 337 E C -0.753 175.844 176.600 -0.006 0.000 0.961 337 E CA -1.065 55.354 56.400 0.033 0.000 0.834 337 E CB 2.529 32.283 29.700 0.090 0.000 1.230 337 E HN -0.053 nan 8.360 nan 0.000 0.412 338 V N 1.052 120.961 119.914 -0.010 0.000 2.368 338 V HA 0.397 4.517 4.120 -0.000 0.000 0.266 338 V C 0.329 176.329 176.094 -0.157 0.000 1.045 338 V CA -0.342 61.871 62.300 -0.145 0.000 0.899 338 V CB 0.655 32.257 31.823 -0.368 0.000 1.006 338 V HN 0.516 nan 8.190 nan 0.000 0.470 339 S N 2.126 117.787 115.700 -0.065 0.000 2.627 339 S HA 0.518 4.988 4.470 -0.000 0.000 0.283 339 S C 0.024 174.654 174.600 0.050 0.000 1.127 339 S CA -0.589 57.618 58.200 0.012 0.000 0.863 339 S CB 2.345 65.609 63.200 0.107 0.000 1.121 339 S HN 0.686 nan 8.310 nan 0.000 0.479 340 D N 0.741 121.064 120.400 -0.129 0.000 2.338 340 D HA 0.374 5.014 4.640 -0.000 0.000 0.208 340 D C 0.806 176.657 176.300 -0.748 0.000 0.997 340 D CA 1.184 55.006 54.000 -0.296 0.000 0.880 340 D CB 0.670 41.363 40.800 -0.178 0.000 0.980 340 D HN 0.784 nan 8.370 nan 0.000 0.509 341 G N -0.732 107.469 108.800 -0.998 0.000 2.313 341 G HA2 0.393 4.353 3.960 -0.000 0.000 0.296 341 G HA3 0.393 4.353 3.960 -0.000 0.000 0.296 341 G C -2.111 172.154 174.900 -1.059 0.000 1.356 341 G CA -0.221 44.053 45.100 -1.377 0.000 0.833 341 G HN 0.110 nan 8.290 nan 0.000 0.552 342 V N -1.151 118.475 119.914 -0.480 0.000 3.087 342 V HA 0.851 4.971 4.120 -0.000 0.000 0.306 342 V C -1.346 174.927 176.094 0.298 0.000 1.187 342 V CA -0.505 61.804 62.300 0.015 0.000 0.999 342 V CB 1.932 33.838 31.823 0.138 0.000 1.049 342 V HN 1.809 nan 8.190 nan 0.000 0.431 343 V N 5.485 125.616 119.914 0.361 0.000 2.638 343 V HA 1.021 5.141 4.120 -0.000 0.000 0.306 343 V C -0.203 175.994 176.094 0.172 0.000 1.052 343 V CA 0.498 62.954 62.300 0.260 0.000 0.885 343 V CB 1.389 33.313 31.823 0.168 0.000 0.999 343 V HN 1.826 nan 8.190 nan 0.000 0.424 344 A N 7.244 130.083 122.820 0.033 0.000 2.566 344 A HA 0.923 5.243 4.320 -0.000 0.000 0.292 344 A C -2.548 174.940 177.584 -0.161 0.000 1.112 344 A CA -1.110 50.867 52.037 -0.099 0.000 0.707 344 A CB 1.912 20.590 19.000 -0.538 0.000 1.302 344 A HN 0.553 nan 8.150 nan 0.000 0.409 345 P HA 0.115 nan 4.420 nan 0.000 0.221 345 P C 0.736 177.998 177.300 -0.063 0.000 1.150 345 P CA 1.756 64.844 63.100 -0.019 0.000 0.800 345 P CB 0.372 32.180 31.700 0.181 0.000 0.787 346 G N -1.672 107.030 108.800 -0.164 0.000 2.523 346 G HA2 0.490 4.450 3.960 -0.000 0.000 0.291 346 G HA3 0.490 4.450 3.960 -0.000 0.000 0.291 346 G C -2.303 172.426 174.900 -0.286 0.000 1.450 346 G CA -0.573 44.475 45.100 -0.087 0.000 0.790 346 G HN -0.139 nan 8.290 nan 0.000 0.496 347 Y N 0.243 120.548 120.300 0.008 0.000 2.442 347 Y HA 0.477 5.027 4.550 -0.000 0.000 0.344 347 Y C 0.484 176.389 175.900 0.007 0.000 0.976 347 Y CA -1.055 57.050 58.100 0.009 0.000 1.040 347 Y CB 1.883 40.345 38.460 0.003 0.000 1.228 347 Y HN 0.500 nan 8.280 nan 0.000 0.451 348 E N 1.562 121.844 120.200 0.136 0.000 2.398 348 E HA -0.013 4.337 4.350 -0.000 0.000 0.263 348 E C 0.348 177.003 176.600 0.093 0.000 1.046 348 E CA -0.086 56.365 56.400 0.086 0.000 0.908 348 E CB 1.094 30.827 29.700 0.056 0.000 0.963 348 E HN 0.739 nan 8.360 nan 0.000 0.431 349 E N 2.383 122.619 120.200 0.060 0.000 2.065 349 E HA -0.273 4.077 4.350 -0.000 0.000 0.201 349 E C 1.396 178.015 176.600 0.032 0.000 1.016 349 E CA 1.884 58.308 56.400 0.040 0.000 0.818 349 E CB 0.151 29.866 29.700 0.025 0.000 0.749 349 E HN 0.507 nan 8.360 nan 0.000 0.453 350 E N -0.366 119.852 120.200 0.030 0.000 2.023 350 E HA -0.261 4.089 4.350 -0.000 0.000 0.196 350 E C 2.122 178.738 176.600 0.027 0.000 1.003 350 E CA 0.889 57.302 56.400 0.021 0.000 0.809 350 E CB -0.306 29.406 29.700 0.020 0.000 0.755 350 E HN 0.356 nan 8.360 nan 0.000 0.449 351 A N 1.652 124.501 122.820 0.049 0.000 1.881 351 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 351 A C 2.216 179.842 177.584 0.071 0.000 1.215 351 A CA 1.911 53.991 52.037 0.072 0.000 0.648 351 A CB -0.929 18.139 19.000 0.113 0.000 0.832 351 A HN 0.275 nan 8.150 nan 0.000 0.455 352 L N -0.165 121.102 121.223 0.073 0.000 2.012 352 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 352 L C 2.236 179.084 176.870 -0.036 0.000 1.073 352 L CA 2.522 57.353 54.840 -0.014 0.000 0.748 352 L CB -0.870 41.164 42.059 -0.042 0.000 0.891 352 L HN 0.443 nan 8.230 nan 0.000 0.431 353 K N -0.383 120.007 120.400 -0.017 0.000 2.020 353 K HA -0.213 4.107 4.320 -0.000 0.000 0.212 353 K C 2.091 178.674 176.600 -0.028 0.000 1.050 353 K CA 2.208 58.482 56.287 -0.022 0.000 0.929 353 K CB -0.451 32.042 32.500 -0.012 0.000 0.714 353 K HN 0.409 nan 8.250 nan 0.000 0.443 354 I N 1.149 121.705 120.570 -0.024 0.000 2.264 354 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 354 I C 2.174 178.250 176.117 -0.069 0.000 1.111 354 I CA 1.273 62.550 61.300 -0.039 0.000 1.382 354 I CB -0.368 37.613 38.000 -0.032 0.000 1.060 354 I HN 0.139 nan 8.210 nan 0.000 0.418 355 L N -0.113 121.069 121.223 -0.069 0.000 2.141 355 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 355 L C 2.539 179.378 176.870 -0.052 0.000 1.094 355 L CA 0.922 55.698 54.840 -0.106 0.000 0.763 355 L CB -0.486 41.540 42.059 -0.054 0.000 0.908 355 L HN 0.140 nan 8.230 nan 0.000 0.437 356 S N 0.122 115.798 115.700 -0.040 0.000 2.428 356 S HA -0.113 4.357 4.470 -0.000 0.000 0.230 356 S C 1.722 176.314 174.600 -0.013 0.000 1.014 356 S CA 0.991 59.179 58.200 -0.021 0.000 0.957 356 S CB -0.121 63.055 63.200 -0.039 0.000 0.784 356 S HN 0.520 nan 8.310 nan 0.000 0.499 357 K N 1.632 122.015 120.400 -0.029 0.000 2.444 357 K HA 0.179 4.499 4.320 -0.000 0.000 0.193 357 K C 0.460 177.042 176.600 -0.030 0.000 1.024 357 K CA 0.068 56.340 56.287 -0.025 0.000 1.077 357 K CB 0.097 32.580 32.500 -0.028 0.000 0.833 357 K HN 0.071 nan 8.250 nan 0.000 0.517 358 K N 2.471 122.842 120.400 -0.048 0.000 2.322 358 K HA 0.023 4.343 4.320 -0.000 0.000 0.283 358 K C -0.648 175.965 176.600 0.022 0.000 1.042 358 K CA -0.057 56.183 56.287 -0.078 0.000 0.958 358 K CB 0.405 32.740 32.500 -0.275 0.000 0.984 358 K HN 0.072 nan 8.250 nan 0.000 0.473 359 K N 3.497 123.905 120.400 0.014 0.000 3.419 359 K HA -0.312 4.008 4.320 -0.000 0.000 0.272 359 K C -0.961 175.657 176.600 0.031 0.000 0.973 359 K CA 0.990 57.300 56.287 0.039 0.000 0.749 359 K CB -1.716 30.838 32.500 0.091 0.000 1.403 359 K HN 1.062 nan 8.250 nan 0.000 0.456 360 N N -0.619 118.088 118.700 0.013 0.000 2.705 360 N HA -0.260 4.480 4.740 -0.000 0.000 0.255 360 N C 0.744 176.260 175.510 0.010 0.000 1.008 360 N CA 0.459 53.514 53.050 0.008 0.000 0.742 360 N CB -0.847 37.645 38.487 0.007 0.000 0.906 360 N HN 0.852 nan 8.380 nan 0.000 0.541 361 G N -1.334 107.474 108.800 0.012 0.000 2.205 361 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.269 361 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.269 361 G C 0.940 175.847 174.900 0.011 0.000 0.977 361 G CA 0.842 45.947 45.100 0.009 0.000 0.652 361 G HN 0.729 nan 8.290 nan 0.000 0.539 362 G N -1.019 107.793 108.800 0.020 0.000 2.986 362 G HA2 0.310 4.270 3.960 -0.000 0.000 0.213 362 G HA3 0.310 4.270 3.960 -0.000 0.000 0.213 362 G C 0.577 175.468 174.900 -0.016 0.000 1.156 362 G CA 0.269 45.368 45.100 -0.002 0.000 0.763 362 G HN 0.623 nan 8.290 nan 0.000 0.547 363 Y N 1.173 121.428 120.300 -0.075 0.000 2.865 363 Y HA 0.060 4.610 4.550 -0.000 0.000 0.338 363 Y C 0.934 176.768 175.900 -0.110 0.000 1.269 363 Y CA -1.167 56.873 58.100 -0.100 0.000 1.585 363 Y CB 0.100 38.497 38.460 -0.105 0.000 1.224 363 Y HN 0.058 nan 8.280 nan 0.000 0.554 364 C N 8.089 126.918 119.300 -0.786 0.000 2.663 364 C HA 0.446 4.906 4.460 -0.000 0.000 0.398 364 C C -0.404 174.272 174.990 -0.522 0.000 1.356 364 C CA -0.587 58.112 59.018 -0.531 0.000 1.629 364 C CB -2.310 25.171 27.740 -0.432 0.000 2.402 364 C HN 0.593 nan 8.230 nan 0.000 0.598 365 V N 8.864 128.637 119.914 -0.234 0.000 2.407 365 V HA 0.462 4.582 4.120 -0.000 0.000 0.291 365 V C -0.007 176.031 176.094 -0.095 0.000 1.018 365 V CA -0.288 61.928 62.300 -0.140 0.000 0.842 365 V CB 1.297 33.005 31.823 -0.192 0.000 0.996 365 V HN 0.752 nan 8.190 nan 0.000 0.426 366 L N 4.025 125.267 121.223 0.032 0.000 2.319 366 L HA 0.716 5.056 4.340 -0.000 0.000 0.267 366 L C -0.421 176.522 176.870 0.123 0.000 1.011 366 L CA -0.608 54.252 54.840 0.035 0.000 0.818 366 L CB 2.135 44.216 42.059 0.037 0.000 1.316 366 L HN 0.621 nan 8.230 nan 0.000 0.432 367 Q N 2.303 122.117 119.800 0.022 0.000 2.292 367 Q HA 0.539 4.879 4.340 -0.000 0.000 0.270 367 Q C -1.411 174.474 176.000 -0.192 0.000 1.024 367 Q CA -0.730 55.090 55.803 0.029 0.000 0.768 367 Q CB 2.338 31.142 28.738 0.111 0.000 1.250 367 Q HN 0.574 nan 8.270 nan 0.000 0.447 368 M N 3.116 122.479 119.600 -0.395 0.000 2.404 368 M HA 0.346 4.826 4.480 -0.000 0.000 0.338 368 M C -1.233 174.785 176.300 -0.469 0.000 1.150 368 M CA -0.433 54.490 55.300 -0.628 0.000 1.016 368 M CB 1.584 33.385 32.600 -1.331 0.000 1.672 368 M HN 0.565 nan 8.290 nan 0.000 0.448 369 D N 5.613 125.831 120.400 -0.304 0.000 2.339 369 D HA 0.243 4.883 4.640 -0.000 0.000 0.256 369 D C -1.808 174.518 176.300 0.044 0.000 1.214 369 D CA -1.827 52.114 54.000 -0.097 0.000 0.877 369 D CB 1.171 41.944 40.800 -0.045 0.000 1.111 369 D HN 0.408 nan 8.370 nan 0.000 0.478 370 P HA -0.068 nan 4.420 nan 0.000 0.230 370 P C 0.085 177.535 177.300 0.249 0.000 1.158 370 P CA 0.511 63.823 63.100 0.353 0.000 0.769 370 P CB 0.418 32.296 31.700 0.296 0.000 0.807 371 N N -1.270 117.535 118.700 0.175 0.000 2.230 371 N HA -0.005 4.735 4.740 -0.000 0.000 0.202 371 N C -0.070 175.526 175.510 0.144 0.000 1.119 371 N CA -0.200 52.928 53.050 0.129 0.000 0.851 371 N CB -0.170 38.370 38.487 0.087 0.000 0.990 371 N HN 0.268 nan 8.380 nan 0.000 0.497 372 Y N 1.922 122.263 120.300 0.068 0.000 2.350 372 Y HA 0.309 4.859 4.550 -0.000 0.000 0.340 372 Y C -0.479 175.464 175.900 0.071 0.000 1.006 372 Y CA -0.557 57.570 58.100 0.044 0.000 1.166 372 Y CB 0.518 38.981 38.460 0.006 0.000 1.168 372 Y HN -0.140 nan 8.280 nan 0.000 0.502 373 E N 8.094 127.930 120.200 -0.608 0.000 2.222 373 E HA 0.425 4.775 4.350 -0.000 0.000 0.267 373 E C -2.528 173.605 176.600 -0.779 0.000 0.884 373 E CA -2.112 53.986 56.400 -0.503 0.000 0.764 373 E CB 1.541 31.112 29.700 -0.215 0.000 1.169 373 E HN 0.476 nan 8.360 nan 0.000 0.413 374 P HA 0.244 nan 4.420 nan 0.000 0.278 374 P C -0.806 176.395 177.300 -0.164 0.000 1.266 374 P CA -0.585 62.311 63.100 -0.340 0.000 0.807 374 P CB 0.824 32.449 31.700 -0.125 0.000 1.094 375 D N 0.008 120.358 120.400 -0.084 0.000 2.360 375 D HA 0.038 4.678 4.640 -0.000 0.000 0.242 375 D C 1.030 177.309 176.300 -0.036 0.000 1.184 375 D CA 0.007 53.978 54.000 -0.048 0.000 0.930 375 D CB 0.115 40.903 40.800 -0.019 0.000 1.161 375 D HN 0.291 nan 8.370 nan 0.000 0.447 376 D N -0.444 119.940 120.400 -0.027 0.000 2.277 376 D HA -0.042 4.598 4.640 -0.000 0.000 0.208 376 D C 0.109 176.406 176.300 -0.006 0.000 0.962 376 D CA 0.659 54.648 54.000 -0.019 0.000 0.865 376 D CB 0.115 40.903 40.800 -0.020 0.000 0.939 376 D HN 0.249 nan 8.370 nan 0.000 0.510 377 N N 1.172 119.870 118.700 -0.003 0.000 2.489 377 N HA 0.256 4.996 4.740 -0.000 0.000 0.284 377 N C -0.074 175.442 175.510 0.011 0.000 1.158 377 N CA -0.061 52.992 53.050 0.006 0.000 0.965 377 N CB 1.825 40.314 38.487 0.005 0.000 1.195 377 N HN 0.019 nan 8.380 nan 0.000 0.506 378 E N 0.608 120.819 120.200 0.018 0.000 2.343 378 E HA 0.588 4.938 4.350 -0.000 0.000 0.270 378 E C -0.704 175.910 176.600 0.024 0.000 0.895 378 E CA -0.611 55.802 56.400 0.023 0.000 0.767 378 E CB 2.465 32.187 29.700 0.037 0.000 1.248 378 E HN 0.369 nan 8.360 nan 0.000 0.440 379 I N 2.502 123.086 120.570 0.024 0.000 2.563 379 I HA 0.248 4.418 4.170 -0.000 0.000 0.285 379 I C -0.691 175.446 176.117 0.034 0.000 1.123 379 I CA -0.624 60.693 61.300 0.028 0.000 1.059 379 I CB 1.598 39.614 38.000 0.027 0.000 1.229 379 I HN 0.403 nan 8.210 nan 0.000 0.442 380 R N 3.282 123.807 120.500 0.041 0.000 2.664 380 R HA 0.751 5.091 4.340 -0.000 0.000 0.286 380 R C -0.929 175.402 176.300 0.052 0.000 0.967 380 R CA -0.585 55.544 56.100 0.049 0.000 0.933 380 R CB 1.742 32.073 30.300 0.052 0.000 1.146 380 R HN 0.281 nan 8.270 nan 0.000 0.468 381 T N 2.834 117.424 114.554 0.060 0.000 2.909 381 T HA 0.415 4.765 4.350 -0.000 0.000 0.286 381 T C -0.451 174.290 174.700 0.070 0.000 1.002 381 T CA -0.535 61.600 62.100 0.059 0.000 1.074 381 T CB 0.726 69.629 68.868 0.058 0.000 0.984 381 T HN 0.452 nan 8.240 nan 0.000 0.495 382 L N 3.959 125.229 121.223 0.080 0.000 2.617 382 L HA 0.288 4.628 4.340 -0.000 0.000 0.259 382 L C -1.078 175.909 176.870 0.194 0.000 0.995 382 L CA -0.644 54.262 54.840 0.109 0.000 0.899 382 L CB 0.621 42.728 42.059 0.080 0.000 1.181 382 L HN 0.835 nan 8.230 nan 0.000 0.437 383 Y N 3.715 124.021 120.300 0.009 0.000 3.790 383 Y HA -0.246 4.304 4.550 0.000 0.000 0.226 383 Y C 1.045 176.950 175.900 0.008 0.000 1.257 383 Y CA 1.405 59.509 58.100 0.006 0.000 1.765 383 Y CB -1.131 37.330 38.460 0.002 0.000 1.552 383 Y HN 0.882 nan 8.280 nan 0.000 0.650 384 G N -0.917 107.848 108.800 -0.058 0.000 2.253 384 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.251 384 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.251 384 G C 0.239 175.119 174.900 -0.033 0.000 0.998 384 G CA 0.169 45.210 45.100 -0.098 0.000 0.621 384 G HN 0.655 nan 8.290 nan 0.000 0.524 385 L N -0.086 121.146 121.223 0.015 0.000 2.375 385 L HA 0.758 5.098 4.340 -0.000 0.000 0.268 385 L C 0.269 177.161 176.870 0.037 0.000 1.058 385 L CA -1.078 53.779 54.840 0.029 0.000 0.803 385 L CB 1.300 43.389 42.059 0.051 0.000 1.212 385 L HN 0.012 nan 8.230 nan 0.000 0.451 386 Q N 1.594 121.413 119.800 0.032 0.000 2.293 386 Q HA 0.596 4.936 4.340 -0.000 0.000 0.261 386 Q C -1.348 174.672 176.000 0.034 0.000 0.960 386 Q CA -0.265 55.559 55.803 0.034 0.000 0.882 386 Q CB 2.044 30.799 28.738 0.029 0.000 1.275 386 Q HN 0.275 nan 8.270 nan 0.000 0.445 387 L N 2.718 123.963 121.223 0.036 0.000 2.319 387 L HA 0.601 4.941 4.340 -0.000 0.000 0.281 387 L C -0.983 175.908 176.870 0.034 0.000 1.005 387 L CA -0.082 54.779 54.840 0.035 0.000 0.828 387 L CB 1.429 43.510 42.059 0.037 0.000 1.227 387 L HN 0.678 nan 8.230 nan 0.000 0.415 388 M N 4.698 124.316 119.600 0.030 0.000 2.465 388 M HA 0.655 5.135 4.480 -0.000 0.000 0.316 388 M C -1.438 174.879 176.300 0.027 0.000 1.121 388 M CA -0.235 55.082 55.300 0.028 0.000 0.934 388 M CB 1.892 34.505 32.600 0.022 0.000 1.692 388 M HN 0.745 nan 8.290 nan 0.000 0.444 389 Q N 2.348 122.165 119.800 0.028 0.000 2.575 389 Q HA 0.466 4.806 4.340 -0.000 0.000 0.290 389 Q C -1.707 174.306 176.000 0.022 0.000 0.963 389 Q CA -1.288 54.531 55.803 0.026 0.000 0.783 389 Q CB 1.341 30.101 28.738 0.037 0.000 1.467 389 Q HN 0.514 nan 8.270 nan 0.000 0.402 390 K N 1.789 122.198 120.400 0.015 0.000 2.350 390 K HA 0.172 4.492 4.320 -0.000 0.000 0.279 390 K C -0.219 176.390 176.600 0.014 0.000 1.027 390 K CA -0.006 56.286 56.287 0.008 0.000 0.969 390 K CB 0.647 33.147 32.500 -0.000 0.000 0.954 390 K HN 0.808 nan 8.250 nan 0.000 0.474 391 R N 2.242 122.750 120.500 0.013 0.000 2.822 391 R HA 0.076 4.416 4.340 -0.000 0.000 0.277 391 R C 0.315 176.619 176.300 0.005 0.000 1.102 391 R CA -0.319 55.794 56.100 0.022 0.000 1.207 391 R CB 0.094 30.408 30.300 0.023 0.000 1.139 391 R HN 0.341 nan 8.270 nan 0.000 0.557 392 N N 0.228 118.929 118.700 0.001 0.000 2.868 392 N HA 0.063 4.803 4.740 -0.000 0.000 0.252 392 N C -0.743 174.735 175.510 -0.053 0.000 1.130 392 N CA 0.003 53.029 53.050 -0.039 0.000 1.026 392 N CB -0.114 38.328 38.487 -0.075 0.000 1.335 392 N HN 0.654 nan 8.380 nan 0.000 0.516 393 N N 0.899 119.573 118.700 -0.042 0.000 2.446 393 N HA 0.038 4.778 4.740 -0.000 0.000 0.179 393 N C 0.257 175.731 175.510 -0.060 0.000 1.054 393 N CA -0.104 52.921 53.050 -0.042 0.000 0.905 393 N CB 0.137 38.603 38.487 -0.035 0.000 0.973 393 N HN 0.463 nan 8.380 nan 0.000 0.448 394 A N 1.582 124.358 122.820 -0.074 0.000 2.550 394 A HA -0.032 4.288 4.320 -0.000 0.000 0.273 394 A C 0.426 177.953 177.584 -0.095 0.000 1.017 394 A CA 0.372 52.356 52.037 -0.088 0.000 0.910 394 A CB -0.528 18.408 19.000 -0.106 0.000 0.891 394 A HN 0.026 nan 8.150 nan 0.000 0.507 395 V N 4.301 124.169 119.914 -0.077 0.000 2.924 395 V HA 0.280 4.400 4.120 -0.000 0.000 0.305 395 V C 0.697 176.742 176.094 -0.081 0.000 1.073 395 V CA 0.130 62.389 62.300 -0.068 0.000 1.098 395 V CB 0.808 32.601 31.823 -0.051 0.000 1.000 395 V HN 0.657 nan 8.190 nan 0.000 0.484 396 I N 3.015 123.547 120.570 -0.063 0.000 2.608 396 I HA 0.706 4.876 4.170 -0.000 0.000 0.295 396 I C -0.878 175.236 176.117 -0.005 0.000 1.049 396 I CA -0.404 60.859 61.300 -0.061 0.000 1.063 396 I CB 2.156 40.123 38.000 -0.056 0.000 1.248 396 I HN 1.000 nan 8.210 nan 0.000 0.424 397 D N 2.917 123.332 120.400 0.024 0.000 2.896 397 D HA 0.117 4.757 4.640 -0.000 0.000 0.326 397 D C 0.269 176.705 176.300 0.227 0.000 1.348 397 D CA -0.817 53.251 54.000 0.114 0.000 0.746 397 D CB 0.567 41.396 40.800 0.049 0.000 1.307 397 D HN 0.333 nan 8.370 nan 0.000 0.447 398 R N -0.003 120.641 120.500 0.239 0.000 2.191 398 R HA -0.267 4.073 4.340 -0.000 0.000 0.248 398 R C 2.159 178.637 176.300 0.297 0.000 1.127 398 R CA 3.043 59.322 56.100 0.300 0.000 0.943 398 R CB -1.150 29.221 30.300 0.118 0.000 0.891 398 R HN 0.652 nan 8.270 nan 0.000 0.439 399 S N 1.262 117.023 115.700 0.101 0.000 2.400 399 S HA -0.204 4.266 4.470 -0.000 0.000 0.234 399 S C 1.834 176.398 174.600 -0.060 0.000 1.049 399 S CA 1.644 59.859 58.200 0.025 0.000 1.039 399 S CB -0.388 62.803 63.200 -0.015 0.000 0.856 399 S HN 0.346 nan 8.310 nan 0.000 0.465 400 L N 0.326 121.413 121.223 -0.227 0.000 2.721 400 L HA 0.296 4.636 4.340 -0.000 0.000 0.241 400 L C -0.015 176.396 176.870 -0.765 0.000 1.168 400 L CA 1.061 55.587 54.840 -0.524 0.000 0.866 400 L CB -0.776 40.860 42.059 -0.705 0.000 0.996 400 L HN 0.408 nan 8.230 nan 0.000 0.451 401 F N -0.923 119.017 119.950 -0.018 0.000 2.881 401 F HA 0.256 4.783 4.527 0.000 0.000 0.343 401 F C 1.102 176.898 175.800 -0.006 0.000 1.233 401 F CA -0.505 57.489 58.000 -0.010 0.000 1.262 401 F CB -0.070 38.918 39.000 -0.020 0.000 0.980 401 F HN 0.058 nan 8.300 nan 0.000 0.506 402 K N -0.741 119.707 120.400 0.080 0.000 2.498 402 K HA 0.240 4.560 4.320 -0.000 0.000 0.207 402 K C 0.166 176.790 176.600 0.039 0.000 1.033 402 K CA -0.014 56.309 56.287 0.060 0.000 1.138 402 K CB -0.059 32.460 32.500 0.032 0.000 0.860 402 K HN 0.110 nan 8.250 nan 0.000 0.490 403 N N 1.625 120.353 118.700 0.047 0.000 2.599 403 N HA 0.188 4.928 4.740 -0.000 0.000 0.309 403 N C -0.862 174.674 175.510 0.043 0.000 1.743 403 N CA -0.491 52.580 53.050 0.036 0.000 0.918 403 N CB 0.233 38.738 38.487 0.030 0.000 1.339 403 N HN 0.182 nan 8.380 nan 0.000 0.493 404 I N 1.817 122.417 120.570 0.050 0.000 2.849 404 I HA -0.089 4.081 4.170 -0.000 0.000 0.288 404 I C 1.494 177.612 176.117 0.002 0.000 1.156 404 I CA -0.097 61.229 61.300 0.042 0.000 1.394 404 I CB 0.225 38.255 38.000 0.050 0.000 1.462 404 I HN 0.201 nan 8.210 nan 0.000 0.587 405 V N 2.163 122.054 119.914 -0.038 0.000 3.444 405 V HA -0.040 4.080 4.120 -0.000 0.000 0.271 405 V C 1.036 177.081 176.094 -0.081 0.000 1.188 405 V CA 0.706 62.953 62.300 -0.088 0.000 1.168 405 V CB -1.603 30.088 31.823 -0.221 0.000 0.810 405 V HN 0.811 nan 8.190 nan 0.000 0.500 406 T N -3.532 110.992 114.554 -0.050 0.000 2.912 406 T HA 0.496 4.846 4.350 -0.000 0.000 0.288 406 T C 0.623 175.311 174.700 -0.020 0.000 1.030 406 T CA -0.620 61.456 62.100 -0.040 0.000 1.020 406 T CB 2.363 71.208 68.868 -0.038 0.000 1.056 406 T HN 0.201 nan 8.240 nan 0.000 0.480 407 K N 1.368 121.755 120.400 -0.021 0.000 1.987 407 K HA -0.102 4.218 4.320 -0.000 0.000 0.216 407 K C 0.691 177.285 176.600 -0.009 0.000 1.051 407 K CA 1.372 57.650 56.287 -0.015 0.000 0.942 407 K CB -0.452 32.038 32.500 -0.017 0.000 0.722 407 K HN 0.655 nan 8.250 nan 0.000 0.444 408 N N 2.633 121.325 118.700 -0.014 0.000 2.414 408 N HA -0.060 4.680 4.740 -0.000 0.000 0.268 408 N C -0.187 175.328 175.510 0.008 0.000 1.286 408 N CA 0.649 53.693 53.050 -0.010 0.000 0.896 408 N CB 0.598 39.068 38.487 -0.029 0.000 1.093 408 N HN 0.270 nan 8.380 nan 0.000 0.480 409 K N 0.523 120.936 120.400 0.021 0.000 2.564 409 K HA 0.108 4.428 4.320 -0.000 0.000 0.205 409 K C -0.118 176.521 176.600 0.064 0.000 1.053 409 K CA -0.244 56.067 56.287 0.039 0.000 1.072 409 K CB 0.604 33.119 32.500 0.025 0.000 0.822 409 K HN 0.393 nan 8.250 nan 0.000 0.497 410 T N 1.745 116.352 114.554 0.088 0.000 2.932 410 T HA 0.103 4.453 4.350 -0.000 0.000 0.312 410 T C -0.173 174.631 174.700 0.173 0.000 1.071 410 T CA 0.180 62.358 62.100 0.129 0.000 1.128 410 T CB 0.692 69.663 68.868 0.171 0.000 0.984 410 T HN 0.032 nan 8.240 nan 0.000 0.549 411 L N 4.607 125.867 121.223 0.061 0.000 2.392 411 L HA 0.382 4.722 4.340 -0.000 0.000 0.262 411 L C -2.674 174.092 176.870 -0.174 0.000 1.498 411 L CA -1.726 53.066 54.840 -0.081 0.000 0.820 411 L CB 0.092 42.118 42.059 -0.056 0.000 0.990 411 L HN 0.391 nan 8.230 nan 0.000 0.520 412 P HA 0.136 nan 4.420 nan 0.000 0.271 412 P C 0.550 177.707 177.300 -0.238 0.000 1.233 412 P CA 0.034 63.017 63.100 -0.195 0.000 0.795 412 P CB 0.810 32.395 31.700 -0.192 0.000 0.936 413 E N -0.197 119.903 120.200 -0.167 0.000 2.170 413 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 413 E C 1.860 178.345 176.600 -0.191 0.000 0.981 413 E CA 1.204 57.506 56.400 -0.164 0.000 0.830 413 E CB -0.594 29.044 29.700 -0.103 0.000 0.775 413 E HN 0.490 nan 8.360 nan 0.000 0.470 414 S N 1.086 116.681 115.700 -0.176 0.000 2.399 414 S HA -0.080 4.390 4.470 -0.000 0.000 0.231 414 S C 2.211 176.657 174.600 -0.256 0.000 1.022 414 S CA 1.050 59.151 58.200 -0.164 0.000 0.983 414 S CB -0.221 62.914 63.200 -0.109 0.000 0.803 414 S HN 0.252 nan 8.310 nan 0.000 0.480 415 A N 1.852 124.417 122.820 -0.424 0.000 1.898 415 A HA 0.092 4.412 4.320 -0.000 0.000 0.216 415 A C 2.415 179.679 177.584 -0.533 0.000 1.181 415 A CA 1.477 53.112 52.037 -0.671 0.000 0.620 415 A CB -1.135 17.015 19.000 -1.417 0.000 0.819 415 A HN 0.404 nan 8.150 nan 0.000 0.442 416 V N 0.286 119.897 119.914 -0.505 0.000 2.252 416 V HA -0.326 3.794 4.120 -0.000 0.000 0.249 416 V C 2.600 178.434 176.094 -0.433 0.000 1.056 416 V CA 2.444 64.394 62.300 -0.583 0.000 1.022 416 V CB -0.939 30.613 31.823 -0.451 0.000 0.641 416 V HN 0.653 nan 8.190 nan 0.000 0.445 417 R N 0.118 120.454 120.500 -0.272 0.000 2.122 417 R HA -0.262 4.078 4.340 -0.000 0.000 0.236 417 R C 2.118 178.334 176.300 -0.139 0.000 1.129 417 R CA 2.695 58.697 56.100 -0.162 0.000 0.925 417 R CB -0.584 29.645 30.300 -0.118 0.000 0.850 417 R HN 0.587 nan 8.270 nan 0.000 0.431 418 D N 0.514 120.824 120.400 -0.150 0.000 2.103 418 D HA -0.200 4.440 4.640 -0.000 0.000 0.190 418 D C 1.977 178.223 176.300 -0.090 0.000 0.997 418 D CA 1.320 55.259 54.000 -0.102 0.000 0.833 418 D CB -0.453 40.288 40.800 -0.100 0.000 0.961 418 D HN 0.264 nan 8.370 nan 0.000 0.447 419 L N 0.330 121.460 121.223 -0.155 0.000 2.197 419 L HA -0.180 4.160 4.340 -0.000 0.000 0.215 419 L C 2.320 179.222 176.870 0.053 0.000 1.095 419 L CA 0.702 55.493 54.840 -0.081 0.000 0.764 419 L CB -0.254 41.661 42.059 -0.240 0.000 0.897 419 L HN 0.124 nan 8.230 nan 0.000 0.436 420 I N -1.573 118.997 120.570 -0.001 0.000 2.480 420 I HA -0.180 3.990 4.170 -0.000 0.000 0.251 420 I C 2.300 178.461 176.117 0.074 0.000 1.124 420 I CA 0.466 61.845 61.300 0.132 0.000 1.444 420 I CB 0.104 38.157 38.000 0.090 0.000 1.098 420 I HN -0.008 nan 8.210 nan 0.000 0.428 421 V N 1.122 121.053 119.914 0.028 0.000 2.358 421 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 421 V C 2.666 178.783 176.094 0.038 0.000 1.047 421 V CA 1.951 64.269 62.300 0.030 0.000 1.035 421 V CB -0.832 30.998 31.823 0.011 0.000 0.658 421 V HN 0.466 nan 8.190 nan 0.000 0.452 422 A N -0.536 122.302 122.820 0.031 0.000 1.969 422 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 422 A C 2.446 180.050 177.584 0.035 0.000 1.169 422 A CA 1.963 54.019 52.037 0.030 0.000 0.635 422 A CB -0.436 18.576 19.000 0.020 0.000 0.810 422 A HN 0.519 nan 8.150 nan 0.000 0.445 423 S N -0.107 115.624 115.700 0.053 0.000 2.377 423 S HA -0.007 4.463 4.470 -0.000 0.000 0.223 423 S C 1.799 176.391 174.600 -0.015 0.000 1.030 423 S CA 1.204 59.420 58.200 0.027 0.000 0.970 423 S CB -0.393 62.848 63.200 0.068 0.000 0.830 423 S HN 0.553 nan 8.310 nan 0.000 0.473 424 I N 1.948 122.526 120.570 0.014 0.000 2.252 424 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 424 I C 2.790 178.939 176.117 0.053 0.000 1.102 424 I CA 1.016 62.319 61.300 0.006 0.000 1.385 424 I CB -0.636 37.406 38.000 0.069 0.000 1.064 424 I HN 0.253 nan 8.210 nan 0.000 0.414 425 A N 0.763 123.636 122.820 0.087 0.000 1.873 425 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 425 A C 2.470 180.103 177.584 0.083 0.000 1.193 425 A CA 2.077 54.184 52.037 0.116 0.000 0.629 425 A CB -1.134 17.909 19.000 0.072 0.000 0.826 425 A HN 0.237 nan 8.150 nan 0.000 0.447 426 V N 0.517 120.445 119.914 0.025 0.000 2.332 426 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 426 V C 2.581 178.644 176.094 -0.052 0.000 1.055 426 V CA 2.491 64.792 62.300 0.000 0.000 1.038 426 V CB -0.680 31.130 31.823 -0.021 0.000 0.651 426 V HN 0.768 nan 8.190 nan 0.000 0.450 427 K N -0.903 119.397 120.400 -0.166 0.000 2.218 427 K HA -0.223 4.097 4.320 -0.000 0.000 0.205 427 K C 1.454 177.717 176.600 -0.561 0.000 1.046 427 K CA 1.947 57.996 56.287 -0.396 0.000 0.933 427 K CB -0.143 31.998 32.500 -0.599 0.000 0.728 427 K HN 0.564 nan 8.250 nan 0.000 0.454 428 Y N 0.139 120.417 120.300 -0.036 0.000 2.584 428 Y HA 0.234 4.784 4.550 -0.000 0.000 0.254 428 Y C 0.109 176.202 175.900 0.321 0.000 1.177 428 Y CA -0.263 57.871 58.100 0.057 0.000 1.216 428 Y CB 0.730 39.299 38.460 0.181 0.000 1.172 428 Y HN -0.157 nan 8.280 nan 0.000 0.529 429 T N 1.491 116.229 114.554 0.305 0.000 2.928 429 T HA 0.236 4.586 4.350 -0.000 0.000 0.284 429 T C -0.042 174.768 174.700 0.184 0.000 1.008 429 T CA -0.760 61.465 62.100 0.209 0.000 1.057 429 T CB 0.985 69.909 68.868 0.093 0.000 1.018 429 T HN -0.096 nan 8.240 nan 0.000 0.493 430 Q N 1.806 121.656 119.800 0.083 0.000 2.293 430 Q HA 0.202 4.542 4.340 -0.000 0.000 0.263 430 Q C 0.352 176.273 176.000 -0.132 0.000 1.002 430 Q CA -0.061 55.698 55.803 -0.073 0.000 0.910 430 Q CB 1.091 29.818 28.738 -0.017 0.000 1.185 430 Q HN 0.662 nan 8.270 nan 0.000 0.401 431 S N 3.086 118.569 115.700 -0.362 0.000 2.563 431 S HA 0.025 4.495 4.470 -0.000 0.000 0.284 431 S C 0.208 174.719 174.600 -0.149 0.000 1.331 431 S CA -0.515 57.497 58.200 -0.313 0.000 1.047 431 S CB 0.266 63.096 63.200 -0.615 0.000 0.859 431 S HN 0.667 nan 8.310 nan 0.000 0.514 432 N N 1.573 120.212 118.700 -0.102 0.000 2.495 432 N HA 0.599 5.339 4.740 -0.000 0.000 0.280 432 N C -0.882 174.626 175.510 -0.003 0.000 1.168 432 N CA -0.542 52.464 53.050 -0.073 0.000 0.978 432 N CB 1.258 39.721 38.487 -0.039 0.000 1.191 432 N HN 0.598 nan 8.380 nan 0.000 0.497 433 S N -1.117 114.597 115.700 0.023 0.000 2.625 433 S HA 0.790 5.260 4.470 -0.000 0.000 0.271 433 S C -1.279 173.348 174.600 0.045 0.000 1.161 433 S CA -0.804 57.422 58.200 0.042 0.000 0.820 433 S CB 1.044 64.268 63.200 0.040 0.000 1.137 433 S HN 0.474 nan 8.310 nan 0.000 0.470 434 V N -0.067 119.891 119.914 0.074 0.000 2.971 434 V HA 0.789 4.909 4.120 -0.000 0.000 0.309 434 V C -0.908 175.235 176.094 0.082 0.000 1.130 434 V CA -0.698 61.644 62.300 0.071 0.000 0.964 434 V CB 1.612 33.512 31.823 0.129 0.000 1.029 434 V HN 1.336 nan 8.190 nan 0.000 0.427 435 C N 3.832 123.143 119.300 0.018 0.000 2.608 435 C HA 0.776 5.236 4.460 -0.000 0.000 0.325 435 C C -1.548 173.443 174.990 0.002 0.000 1.147 435 C CA -0.553 58.508 59.018 0.073 0.000 1.359 435 C CB 0.785 28.555 27.740 0.049 0.000 1.912 435 C HN 0.783 nan 8.230 nan 0.000 0.466 436 Y N 3.719 124.011 120.300 -0.014 0.000 2.330 436 Y HA 0.684 5.234 4.550 -0.000 0.000 0.336 436 Y C 0.623 176.458 175.900 -0.107 0.000 1.036 436 Y CA -0.032 58.041 58.100 -0.046 0.000 1.125 436 Y CB 1.533 39.955 38.460 -0.065 0.000 1.194 436 Y HN 0.976 nan 8.280 nan 0.000 0.469 437 A N 3.491 126.332 122.820 0.035 0.000 2.469 437 A HA 0.946 5.266 4.320 -0.000 0.000 0.299 437 A C -1.106 176.431 177.584 -0.079 0.000 1.098 437 A CA -0.862 51.142 52.037 -0.055 0.000 0.737 437 A CB 2.264 21.246 19.000 -0.031 0.000 1.312 437 A HN 0.722 nan 8.150 nan 0.000 0.414 438 K N 0.219 120.547 120.400 -0.120 0.000 2.675 438 K HA 0.336 4.655 4.320 -0.000 0.000 0.280 438 K C -1.457 175.123 176.600 -0.034 0.000 0.993 438 K CA -0.331 55.908 56.287 -0.079 0.000 0.863 438 K CB 1.054 33.493 32.500 -0.103 0.000 1.438 438 K HN 0.678 nan 8.250 nan 0.000 0.389 439 D N 1.728 122.141 120.400 0.021 0.000 2.837 439 D HA -0.172 4.468 4.640 -0.000 0.000 0.230 439 D C 0.455 176.786 176.300 0.050 0.000 1.152 439 D CA 2.085 56.127 54.000 0.069 0.000 0.736 439 D CB -1.104 39.797 40.800 0.169 0.000 1.084 439 D HN 1.089 nan 8.370 nan 0.000 0.429 440 G N 0.217 109.023 108.800 0.009 0.000 2.160 440 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.251 440 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.251 440 G C 0.158 175.068 174.900 0.017 0.000 1.008 440 G CA 1.461 46.566 45.100 0.009 0.000 0.724 440 G HN 0.805 nan 8.290 nan 0.000 0.514 441 Q N -1.656 118.142 119.800 -0.003 0.000 2.553 441 Q HA 0.768 5.108 4.340 -0.000 0.000 0.293 441 Q C -0.835 175.119 176.000 -0.077 0.000 1.038 441 Q CA -1.155 54.641 55.803 -0.013 0.000 0.777 441 Q CB 1.934 30.684 28.738 0.020 0.000 1.487 441 Q HN 0.368 nan 8.270 nan 0.000 0.426 442 V N 2.549 122.420 119.914 -0.071 0.000 2.509 442 V HA 0.249 4.369 4.120 -0.000 0.000 0.284 442 V C 0.646 176.601 176.094 -0.232 0.000 1.047 442 V CA -0.142 62.100 62.300 -0.096 0.000 0.952 442 V CB 1.027 32.832 31.823 -0.031 0.000 0.988 442 V HN 0.834 nan 8.190 nan 0.000 0.469 443 I N 1.272 121.641 120.570 -0.335 0.000 4.338 443 I HA 0.702 4.872 4.170 -0.000 0.000 0.329 443 I C 0.548 176.490 176.117 -0.291 0.000 1.378 443 I CA -0.031 60.883 61.300 -0.644 0.000 1.170 443 I CB 0.926 38.120 38.000 -1.344 0.000 1.206 443 I HN 0.624 nan 8.210 nan 0.000 0.432 444 G N 2.160 110.900 108.800 -0.100 0.000 2.750 444 G HA2 0.615 4.575 3.960 -0.000 0.000 0.298 444 G HA3 0.615 4.575 3.960 -0.000 0.000 0.298 444 G C -1.876 173.099 174.900 0.125 0.000 1.412 444 G CA -0.399 44.691 45.100 -0.016 0.000 1.078 444 G HN 0.189 nan 8.290 nan 0.000 0.573 445 I N 1.762 122.395 120.570 0.104 0.000 2.667 445 I HA 0.641 4.811 4.170 -0.000 0.000 0.288 445 I C 0.029 176.208 176.117 0.103 0.000 1.267 445 I CA -0.581 60.789 61.300 0.118 0.000 1.055 445 I CB 1.727 39.766 38.000 0.064 0.000 1.294 445 I HN 0.777 nan 8.210 nan 0.000 0.429 446 G N 5.042 113.916 108.800 0.124 0.000 2.417 446 G HA2 0.885 4.845 3.960 -0.000 0.000 0.334 446 G HA3 0.885 4.845 3.960 -0.000 0.000 0.334 446 G C -1.256 173.692 174.900 0.080 0.000 1.150 446 G CA -0.223 44.940 45.100 0.104 0.000 0.923 446 G HN 0.923 nan 8.290 nan 0.000 0.485 447 A N -0.719 122.140 122.820 0.065 0.000 2.609 447 A HA 0.785 5.105 4.320 -0.000 0.000 0.291 447 A C 0.757 178.365 177.584 0.040 0.000 1.096 447 A CA 0.311 52.377 52.037 0.048 0.000 0.684 447 A CB 0.861 19.888 19.000 0.045 0.000 1.282 447 A HN 2.542 nan 8.150 nan 0.000 0.412 448 G N -0.022 108.793 108.800 0.026 0.000 2.212 448 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.267 448 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.267 448 G C 0.342 175.258 174.900 0.027 0.000 1.002 448 G CA 1.002 46.118 45.100 0.028 0.000 0.729 448 G HN 0.817 nan 8.290 nan 0.000 0.517 449 Q N -1.017 118.802 119.800 0.032 0.000 2.397 449 Q HA 0.436 4.776 4.340 -0.000 0.000 0.193 449 Q C 1.489 177.506 176.000 0.028 0.000 1.083 449 Q CA 0.201 56.030 55.803 0.043 0.000 1.108 449 Q CB 0.208 28.990 28.738 0.075 0.000 1.172 449 Q HN 0.643 nan 8.270 nan 0.000 0.617 450 Q N -0.948 118.881 119.800 0.048 0.000 2.140 450 Q HA 0.231 4.571 4.340 -0.000 0.000 0.227 450 Q C -0.328 175.705 176.000 0.054 0.000 0.798 450 Q CA -0.046 55.776 55.803 0.032 0.000 0.987 450 Q CB 1.406 30.160 28.738 0.028 0.000 1.161 450 Q HN 0.351 nan 8.270 nan 0.000 0.480 451 S N -0.372 115.387 115.700 0.098 0.000 2.538 451 S HA 0.427 4.897 4.470 -0.000 0.000 0.288 451 S C 0.010 174.639 174.600 0.048 0.000 1.108 451 S CA -0.521 57.726 58.200 0.079 0.000 0.971 451 S CB 1.675 64.993 63.200 0.197 0.000 1.041 451 S HN 0.110 nan 8.310 nan 0.000 0.483 452 R N 2.819 123.316 120.500 -0.004 0.000 2.062 452 R HA 0.080 4.420 4.340 -0.000 0.000 0.231 452 R C 1.964 178.303 176.300 0.065 0.000 1.136 452 R CA 2.041 58.167 56.100 0.043 0.000 0.948 452 R CB -0.988 29.331 30.300 0.033 0.000 0.845 452 R HN 0.731 nan 8.270 nan 0.000 0.430 453 I N 0.642 121.183 120.570 -0.048 0.000 2.700 453 I HA -0.212 3.958 4.170 -0.000 0.000 0.261 453 I C 1.063 177.145 176.117 -0.059 0.000 1.219 453 I CA 1.699 62.952 61.300 -0.079 0.000 1.463 453 I CB -0.298 37.604 38.000 -0.162 0.000 1.092 453 I HN 0.251 nan 8.210 nan 0.000 0.452 454 H N -1.696 117.429 119.070 0.091 0.000 2.516 454 H HA 0.127 4.683 4.556 -0.000 0.000 0.284 454 H C 2.214 177.594 175.328 0.086 0.000 0.999 454 H CA 0.998 57.093 56.048 0.079 0.000 1.303 454 H CB -0.733 29.067 29.762 0.062 0.000 1.452 454 H HN 0.426 nan 8.280 nan 0.000 0.530 455 C N 1.223 120.643 119.300 0.200 0.000 2.481 455 C HA 0.003 4.463 4.460 -0.000 0.000 0.275 455 C C 2.479 177.581 174.990 0.188 0.000 1.419 455 C CA 1.027 60.144 59.018 0.164 0.000 1.773 455 C CB -1.191 26.625 27.740 0.127 0.000 1.862 455 C HN 0.456 nan 8.230 nan 0.000 0.530 456 T N -0.066 114.606 114.554 0.197 0.000 2.942 456 T HA -0.034 4.316 4.350 -0.000 0.000 0.265 456 T C 2.000 176.842 174.700 0.236 0.000 1.062 456 T CA 0.975 63.211 62.100 0.227 0.000 1.139 456 T CB -0.144 68.815 68.868 0.152 0.000 0.883 456 T HN 0.577 nan 8.240 nan 0.000 0.468 457 R N 0.293 120.902 120.500 0.181 0.000 2.100 457 R HA 0.248 4.588 4.340 -0.000 0.000 0.220 457 R C 2.373 178.744 176.300 0.117 0.000 1.091 457 R CA 0.481 56.668 56.100 0.145 0.000 0.986 457 R CB -0.327 30.064 30.300 0.150 0.000 0.888 457 R HN 0.279 nan 8.270 nan 0.000 0.444 458 L N 0.358 121.658 121.223 0.129 0.000 2.046 458 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 458 L C 2.257 179.181 176.870 0.089 0.000 1.077 458 L CA 1.622 56.522 54.840 0.098 0.000 0.747 458 L CB -0.261 41.858 42.059 0.101 0.000 0.896 458 L HN 0.186 nan 8.230 nan 0.000 0.432 459 A N -0.368 122.533 122.820 0.136 0.000 1.929 459 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 459 A C 2.291 179.810 177.584 -0.109 0.000 1.176 459 A CA 1.227 53.345 52.037 0.135 0.000 0.628 459 A CB -1.360 17.861 19.000 0.368 0.000 0.816 459 A HN 0.526 nan 8.150 nan 0.000 0.444 460 G N 0.217 108.956 108.800 -0.102 0.000 2.446 460 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 460 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 460 G C 1.143 175.920 174.900 -0.206 0.000 1.168 460 G CA 1.258 46.142 45.100 -0.360 0.000 0.771 460 G HN 0.495 nan 8.290 nan 0.000 0.551 461 D N 0.698 121.066 120.400 -0.053 0.000 2.144 461 D HA -0.057 4.583 4.640 -0.000 0.000 0.200 461 D C 2.403 178.718 176.300 0.024 0.000 0.978 461 D CA 0.801 54.804 54.000 0.005 0.000 0.833 461 D CB -0.169 40.651 40.800 0.032 0.000 0.961 461 D HN 0.316 nan 8.370 nan 0.000 0.470 462 K N 0.844 121.250 120.400 0.009 0.000 2.147 462 K HA -0.066 4.254 4.320 -0.000 0.000 0.205 462 K C 2.135 178.780 176.600 0.075 0.000 1.049 462 K CA 0.885 57.204 56.287 0.053 0.000 0.936 462 K CB 0.003 32.531 32.500 0.045 0.000 0.722 462 K HN 0.021 nan 8.250 nan 0.000 0.446 463 A N 2.211 125.003 122.820 -0.047 0.000 1.845 463 A HA -0.236 4.084 4.320 -0.000 0.000 0.215 463 A C 1.748 179.482 177.584 0.250 0.000 1.195 463 A CA 1.846 53.866 52.037 -0.029 0.000 0.616 463 A CB -0.846 17.939 19.000 -0.358 0.000 0.832 463 A HN 0.388 nan 8.150 nan 0.000 0.443 464 N N 0.304 119.118 118.700 0.190 0.000 2.011 464 N HA -0.197 4.543 4.740 -0.000 0.000 0.199 464 N C 1.956 177.686 175.510 0.368 0.000 1.047 464 N CA 1.767 55.004 53.050 0.312 0.000 0.863 464 N CB -0.342 38.264 38.487 0.197 0.000 1.056 464 N HN 0.447 nan 8.380 nan 0.000 0.427 465 S N 0.527 116.386 115.700 0.264 0.000 2.390 465 S HA -0.267 4.203 4.470 -0.000 0.000 0.234 465 S C 1.457 176.269 174.600 0.353 0.000 1.063 465 S CA 1.707 60.056 58.200 0.248 0.000 1.108 465 S CB -0.762 62.561 63.200 0.205 0.000 0.975 465 S HN 0.518 nan 8.310 nan 0.000 0.442 466 W N 1.359 122.798 121.300 0.232 0.000 2.329 466 W HA -0.150 4.510 4.660 -0.000 0.000 0.324 466 W C 2.321 179.140 176.519 0.501 0.000 1.222 466 W CA 1.493 59.029 57.345 0.318 0.000 1.270 466 W CB -0.908 28.701 29.460 0.248 0.000 1.167 466 W HN 0.393 nan 8.180 nan 0.000 0.467 467 W N 0.799 122.335 121.300 0.393 0.000 2.302 467 W HA -0.333 4.327 4.660 -0.000 0.000 0.320 467 W C 1.976 178.766 176.519 0.452 0.000 1.241 467 W CA 1.813 59.233 57.345 0.125 0.000 1.264 467 W CB -0.690 28.931 29.460 0.269 0.000 1.154 467 W HN -0.075 nan 8.180 nan 0.000 0.483 468 L N 0.471 121.895 121.223 0.335 0.000 2.265 468 L HA -0.162 4.178 4.340 -0.000 0.000 0.215 468 L C 2.359 179.201 176.870 -0.047 0.000 1.117 468 L CA 1.074 55.956 54.840 0.069 0.000 0.782 468 L CB -0.709 41.386 42.059 0.061 0.000 0.914 468 L HN -0.062 nan 8.230 nan 0.000 0.441 469 R N -1.160 119.400 120.500 0.100 0.000 2.346 469 R HA -0.065 4.275 4.340 -0.000 0.000 0.199 469 R C 1.195 177.419 176.300 -0.127 0.000 1.015 469 R CA 0.311 56.420 56.100 0.015 0.000 1.058 469 R CB -0.119 30.211 30.300 0.050 0.000 0.921 469 R HN 0.418 nan 8.270 nan 0.000 0.475 470 H N -2.094 116.842 119.070 -0.223 0.000 2.654 470 H HA 0.074 4.630 4.556 -0.000 0.000 0.264 470 H C 0.266 175.420 175.328 -0.291 0.000 0.954 470 H CA -0.127 55.810 56.048 -0.186 0.000 1.199 470 H CB 0.086 29.759 29.762 -0.148 0.000 1.446 470 H HN 0.059 nan 8.280 nan 0.000 0.516 471 H N 2.255 120.886 119.070 -0.733 0.000 3.034 471 H HA -0.043 4.513 4.556 -0.000 0.000 0.324 471 H C -1.666 173.295 175.328 -0.611 0.000 1.015 471 H CA -1.679 53.566 56.048 -1.339 0.000 1.429 471 H CB 1.163 30.036 29.762 -1.481 0.000 1.429 471 H HN 0.112 nan 8.280 nan 0.000 0.585 472 P HA -0.229 nan 4.420 nan 0.000 0.214 472 P C 1.627 178.909 177.300 -0.029 0.000 1.169 472 P CA 2.166 65.232 63.100 -0.055 0.000 0.908 472 P CB 0.063 31.723 31.700 -0.067 0.000 0.791 473 R N -0.249 120.266 120.500 0.026 0.000 2.196 473 R HA -0.228 4.112 4.340 -0.000 0.000 0.259 473 R C 1.767 177.924 176.300 -0.237 0.000 1.154 473 R CA 2.466 58.461 56.100 -0.176 0.000 0.976 473 R CB -1.115 28.974 30.300 -0.351 0.000 0.888 473 R HN 0.057 nan 8.270 nan 0.000 0.453 474 V N 0.447 120.235 119.914 -0.210 0.000 2.302 474 V HA -0.180 3.940 4.120 -0.000 0.000 0.243 474 V C 2.372 178.395 176.094 -0.119 0.000 1.036 474 V CA 1.794 63.989 62.300 -0.174 0.000 1.020 474 V CB -0.551 31.214 31.823 -0.097 0.000 0.657 474 V HN 0.298 nan 8.190 nan 0.000 0.453 475 L N 0.480 121.633 121.223 -0.116 0.000 2.021 475 L HA -0.253 4.087 4.340 -0.000 0.000 0.215 475 L C 2.639 179.452 176.870 -0.094 0.000 1.074 475 L CA 1.930 56.708 54.840 -0.105 0.000 0.760 475 L CB -0.972 41.023 42.059 -0.105 0.000 0.889 475 L HN 0.332 nan 8.230 nan 0.000 0.433 476 S N -0.740 114.896 115.700 -0.107 0.000 2.426 476 S HA -0.161 4.309 4.470 -0.000 0.000 0.220 476 S C 0.908 175.444 174.600 -0.106 0.000 1.040 476 S CA 0.586 58.720 58.200 -0.109 0.000 1.094 476 S CB -0.394 62.730 63.200 -0.127 0.000 1.072 476 S HN 0.296 nan 8.310 nan 0.000 0.415 477 M N 1.381 120.878 119.600 -0.171 0.000 2.490 477 M HA -0.193 4.287 4.480 -0.000 0.000 0.522 477 M C -1.170 175.083 176.300 -0.079 0.000 1.258 477 M CA 0.688 55.854 55.300 -0.223 0.000 0.628 477 M CB -0.514 31.962 32.600 -0.207 0.000 1.835 477 M HN 0.104 nan 8.290 nan 0.000 0.560 478 K N 4.776 125.095 120.400 -0.135 0.000 2.527 478 K HA 0.531 4.851 4.320 -0.000 0.000 0.240 478 K C -0.945 175.662 176.600 0.012 0.000 0.989 478 K CA -0.183 56.104 56.287 0.001 0.000 0.985 478 K CB 0.627 33.107 32.500 -0.033 0.000 1.221 478 K HN 0.205 nan 8.250 nan 0.000 0.458 479 F N 1.304 121.260 119.950 0.011 0.000 2.410 479 F HA 0.240 4.767 4.527 0.000 0.000 0.334 479 F C 1.052 176.791 175.800 -0.102 0.000 1.134 479 F CA -0.618 57.329 58.000 -0.088 0.000 1.227 479 F CB 0.580 39.470 39.000 -0.184 0.000 1.194 479 F HN 0.146 nan 8.300 nan 0.000 0.571 480 K N 1.949 122.369 120.400 0.032 0.000 2.466 480 K HA 0.235 4.555 4.320 -0.000 0.000 0.278 480 K C 0.144 176.753 176.600 0.015 0.000 1.048 480 K CA -0.239 56.044 56.287 -0.007 0.000 1.088 480 K CB -0.023 32.447 32.500 -0.052 0.000 0.884 480 K HN 0.713 nan 8.250 nan 0.000 0.478 481 A N 3.152 125.979 122.820 0.011 0.000 2.587 481 A HA 0.291 4.611 4.320 -0.000 0.000 0.233 481 A C 1.019 178.592 177.584 -0.019 0.000 1.049 481 A CA 0.573 52.611 52.037 0.002 0.000 0.754 481 A CB -0.360 18.640 19.000 -0.001 0.000 0.977 481 A HN 0.985 nan 8.150 nan 0.000 0.509 482 G N -0.277 108.504 108.800 -0.031 0.000 2.438 482 G HA2 0.220 4.180 3.960 -0.000 0.000 0.272 482 G HA3 0.220 4.180 3.960 -0.000 0.000 0.272 482 G C -0.202 174.664 174.900 -0.057 0.000 0.991 482 G CA 0.432 45.507 45.100 -0.042 0.000 1.348 482 G HN 2.442 nan 8.290 nan 0.000 0.483 483 V N 2.681 122.542 119.914 -0.088 0.000 2.559 483 V HA 0.586 4.706 4.120 -0.000 0.000 0.289 483 V C 0.545 176.556 176.094 -0.139 0.000 1.036 483 V CA -1.064 61.171 62.300 -0.108 0.000 0.887 483 V CB 1.068 32.818 31.823 -0.121 0.000 1.022 483 V HN 0.728 nan 8.190 nan 0.000 0.442 484 K N 4.676 125.020 120.400 -0.092 0.000 2.412 484 K HA -0.219 4.101 4.320 -0.000 0.000 0.245 484 K C 1.081 177.612 176.600 -0.114 0.000 1.044 484 K CA 0.977 57.221 56.287 -0.072 0.000 1.125 484 K CB 0.280 32.755 32.500 -0.042 0.000 0.719 484 K HN 0.829 nan 8.250 nan 0.000 0.454 485 R N 1.763 122.214 120.500 -0.083 0.000 2.152 485 R HA -0.148 4.192 4.340 -0.000 0.000 0.232 485 R C 2.235 178.488 176.300 -0.079 0.000 1.117 485 R CA 1.415 57.453 56.100 -0.104 0.000 0.981 485 R CB -0.150 30.120 30.300 -0.050 0.000 0.870 485 R HN 0.749 nan 8.270 nan 0.000 0.451 486 A N 1.140 123.947 122.820 -0.022 0.000 1.930 486 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 486 A C 1.818 179.347 177.584 -0.091 0.000 1.176 486 A CA 0.937 52.962 52.037 -0.021 0.000 0.632 486 A CB -0.139 18.887 19.000 0.043 0.000 0.819 486 A HN 0.250 nan 8.150 nan 0.000 0.445 487 E N -0.111 120.028 120.200 -0.101 0.000 2.058 487 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 487 E C 2.032 178.555 176.600 -0.128 0.000 0.997 487 E CA 1.403 57.738 56.400 -0.108 0.000 0.801 487 E CB -0.372 29.255 29.700 -0.122 0.000 0.746 487 E HN 0.391 nan 8.360 nan 0.000 0.450 488 V N 1.392 121.159 119.914 -0.246 0.000 2.215 488 V HA -0.340 3.780 4.120 -0.000 0.000 0.246 488 V C 2.262 178.291 176.094 -0.110 0.000 1.047 488 V CA 2.170 64.242 62.300 -0.381 0.000 0.999 488 V CB -0.898 30.552 31.823 -0.622 0.000 0.635 488 V HN 0.249 nan 8.190 nan 0.000 0.450 489 S N 0.337 115.986 115.700 -0.085 0.000 2.461 489 S HA -0.378 4.092 4.470 -0.000 0.000 0.266 489 S C 1.686 176.325 174.600 0.066 0.000 1.138 489 S CA 2.418 60.621 58.200 0.005 0.000 1.146 489 S CB -0.819 62.383 63.200 0.005 0.000 1.042 489 S HN 0.683 nan 8.310 nan 0.000 0.448 490 N N 1.098 119.833 118.700 0.058 0.000 2.148 490 N HA 0.032 4.772 4.740 -0.000 0.000 0.186 490 N C 2.174 177.830 175.510 0.244 0.000 1.031 490 N CA 0.958 54.076 53.050 0.113 0.000 0.848 490 N CB -0.432 38.096 38.487 0.068 0.000 1.005 490 N HN 0.437 nan 8.380 nan 0.000 0.427 491 A N 2.430 125.423 122.820 0.290 0.000 1.882 491 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 491 A C 2.256 180.237 177.584 0.661 0.000 1.253 491 A CA 1.594 53.964 52.037 0.554 0.000 0.664 491 A CB -1.141 18.091 19.000 0.387 0.000 0.838 491 A HN 0.203 nan 8.150 nan 0.000 0.460 492 I N -0.652 120.204 120.570 0.477 0.000 2.069 492 I HA -0.311 3.859 4.170 -0.000 0.000 0.237 492 I C 2.474 178.797 176.117 0.343 0.000 1.053 492 I CA 1.985 63.532 61.300 0.411 0.000 1.311 492 I CB -0.553 37.610 38.000 0.271 0.000 1.030 492 I HN 0.471 nan 8.210 nan 0.000 0.398 493 D N 0.774 121.318 120.400 0.241 0.000 2.157 493 D HA -0.277 4.363 4.640 -0.000 0.000 0.191 493 D C 2.089 178.482 176.300 0.154 0.000 1.004 493 D CA 2.179 56.284 54.000 0.176 0.000 0.854 493 D CB -0.037 40.844 40.800 0.135 0.000 0.936 493 D HN 0.625 nan 8.370 nan 0.000 0.446 494 Q N -1.423 118.489 119.800 0.187 0.000 2.424 494 Q HA -0.102 4.238 4.340 -0.000 0.000 0.204 494 Q C 2.003 178.034 176.000 0.051 0.000 0.933 494 Q CA 0.334 56.196 55.803 0.099 0.000 0.929 494 Q CB -0.458 28.337 28.738 0.095 0.000 1.037 494 Q HN 0.378 nan 8.270 nan 0.000 0.511 495 Y N 2.806 123.157 120.300 0.085 0.000 2.153 495 Y HA -0.199 4.351 4.550 -0.000 0.000 0.289 495 Y C 2.199 178.063 175.900 -0.060 0.000 1.127 495 Y CA 1.704 59.799 58.100 -0.008 0.000 1.131 495 Y CB -0.415 38.182 38.460 0.227 0.000 0.995 495 Y HN 0.049 nan 8.280 nan 0.000 0.505 496 V N -2.315 117.572 119.914 -0.046 0.000 2.223 496 V HA -0.251 3.869 4.120 -0.000 0.000 0.244 496 V C 2.029 178.050 176.094 -0.122 0.000 1.045 496 V CA 2.621 64.843 62.300 -0.130 0.000 1.000 496 V CB -1.846 30.000 31.823 0.037 0.000 0.635 496 V HN 0.412 nan 8.190 nan 0.000 0.445 497 T N 0.912 115.447 114.554 -0.032 0.000 2.946 497 T HA 0.030 4.380 4.350 -0.000 0.000 0.270 497 T C 1.278 175.925 174.700 -0.087 0.000 1.129 497 T CA 1.548 63.631 62.100 -0.028 0.000 1.103 497 T CB -1.284 67.590 68.868 0.010 0.000 0.839 497 T HN 1.600 nan 8.240 nan 0.000 0.544 498 G N 1.838 110.536 108.800 -0.169 0.000 2.367 498 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.295 498 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.295 498 G C 0.405 175.209 174.900 -0.160 0.000 1.019 498 G CA 0.485 45.454 45.100 -0.219 0.000 1.224 498 G HN 0.664 nan 8.290 nan 0.000 0.510 499 T N -2.345 112.116 114.554 -0.155 0.000 3.488 499 T HA 0.304 4.654 4.350 -0.000 0.000 0.312 499 T C 1.986 176.604 174.700 -0.136 0.000 0.931 499 T CA 0.294 62.326 62.100 -0.113 0.000 0.982 499 T CB -0.105 68.731 68.868 -0.055 0.000 1.198 499 T HN 0.332 nan 8.240 nan 0.000 0.545 500 I N 2.246 122.658 120.570 -0.263 0.000 2.367 500 I HA -0.061 4.109 4.170 -0.000 0.000 0.256 500 I C 1.639 177.636 176.117 -0.199 0.000 1.132 500 I CA 1.776 62.828 61.300 -0.413 0.000 1.397 500 I CB -0.854 36.611 38.000 -0.893 0.000 1.074 500 I HN 0.767 nan 8.210 nan 0.000 0.435 501 G N 1.147 109.861 108.800 -0.144 0.000 2.699 501 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.686 501 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.686 501 G C -0.310 174.552 174.900 -0.064 0.000 1.301 501 G CA -0.463 44.595 45.100 -0.069 0.000 0.816 501 G HN 0.352 nan 8.290 nan 0.000 0.595 502 E N 0.936 121.115 120.200 -0.035 0.000 2.359 502 E HA 0.457 4.807 4.350 -0.000 0.000 0.255 502 E C 1.357 177.958 176.600 0.002 0.000 1.191 502 E CA 0.159 56.544 56.400 -0.024 0.000 0.952 502 E CB 0.553 30.240 29.700 -0.021 0.000 1.152 502 E HN 0.755 nan 8.360 nan 0.000 0.496 503 D N 0.840 121.243 120.400 0.006 0.000 1.580 503 D HA -0.453 4.187 4.640 -0.000 0.000 0.625 503 D C 1.383 177.704 176.300 0.036 0.000 0.627 503 D CA 2.416 56.428 54.000 0.020 0.000 1.731 503 D CB -0.794 40.014 40.800 0.014 0.000 0.240 503 D HN 0.768 nan 8.370 nan 0.000 0.217 504 E N 0.596 120.814 120.200 0.031 0.000 2.058 504 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 504 E C 1.903 178.536 176.600 0.056 0.000 0.997 504 E CA 1.739 58.162 56.400 0.039 0.000 0.801 504 E CB -0.160 29.558 29.700 0.028 0.000 0.746 504 E HN 0.404 nan 8.360 nan 0.000 0.450 505 D N 0.381 120.811 120.400 0.051 0.000 2.084 505 D HA -0.171 4.469 4.640 -0.000 0.000 0.194 505 D C 2.047 178.420 176.300 0.121 0.000 0.990 505 D CA 0.862 54.904 54.000 0.071 0.000 0.826 505 D CB -0.302 40.524 40.800 0.044 0.000 0.971 505 D HN 0.198 nan 8.370 nan 0.000 0.453 506 L N 1.284 122.566 121.223 0.097 0.000 2.151 506 L HA -0.188 4.152 4.340 -0.000 0.000 0.215 506 L C 2.247 179.262 176.870 0.240 0.000 1.084 506 L CA 1.299 56.227 54.840 0.148 0.000 0.764 506 L CB -0.721 41.381 42.059 0.072 0.000 0.891 506 L HN -0.107 nan 8.230 nan 0.000 0.435 507 V N -0.489 119.518 119.914 0.155 0.000 2.358 507 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 507 V C 2.484 178.655 176.094 0.129 0.000 1.047 507 V CA 1.936 64.314 62.300 0.130 0.000 1.035 507 V CB -0.691 31.178 31.823 0.077 0.000 0.658 507 V HN 0.469 nan 8.190 nan 0.000 0.452 508 K N -1.103 119.374 120.400 0.128 0.000 2.147 508 K HA -0.231 4.089 4.320 -0.000 0.000 0.205 508 K C 1.934 178.600 176.600 0.109 0.000 1.049 508 K CA 1.815 58.158 56.287 0.094 0.000 0.936 508 K CB -0.286 32.267 32.500 0.088 0.000 0.722 508 K HN 0.578 nan 8.250 nan 0.000 0.446 509 W N 2.674 123.989 121.300 0.025 0.000 2.381 509 W HA -0.161 4.498 4.660 -0.000 0.000 0.321 509 W C 1.965 178.515 176.519 0.052 0.000 1.196 509 W CA 1.444 58.819 57.345 0.051 0.000 1.304 509 W CB -0.241 29.290 29.460 0.118 0.000 1.166 509 W HN 0.011 nan 8.180 nan 0.000 0.473 510 Q N -0.079 119.879 119.800 0.263 0.000 2.364 510 Q HA -0.085 4.255 4.340 -0.000 0.000 0.209 510 Q C 1.553 177.513 176.000 -0.066 0.000 0.977 510 Q CA 0.976 56.874 55.803 0.158 0.000 0.885 510 Q CB -0.552 28.364 28.738 0.297 0.000 0.941 510 Q HN 0.301 nan 8.270 nan 0.000 0.464 511 A N 0.160 122.917 122.820 -0.105 0.000 2.426 511 A HA 0.127 4.447 4.320 -0.000 0.000 0.247 511 A C 1.076 178.503 177.584 -0.262 0.000 1.389 511 A CA 0.315 52.276 52.037 -0.127 0.000 1.129 511 A CB -0.313 18.651 19.000 -0.060 0.000 0.928 511 A HN 0.300 nan 8.150 nan 0.000 0.557 512 M N -1.889 117.398 119.600 -0.522 0.000 2.163 512 M HA 0.292 4.772 4.480 -0.000 0.000 0.356 512 M C -0.946 174.913 176.300 -0.735 0.000 0.863 512 M CA 0.276 55.186 55.300 -0.650 0.000 1.113 512 M CB 0.778 32.902 32.600 -0.793 0.000 2.038 512 M HN 0.402 nan 8.290 nan 0.000 0.691 513 F N 0.653 120.378 119.950 -0.374 0.000 2.458 513 F HA 0.364 4.891 4.527 0.000 0.000 0.330 513 F C 1.441 177.099 175.800 -0.237 0.000 1.082 513 F CA -0.905 56.838 58.000 -0.428 0.000 0.995 513 F CB 0.585 39.207 39.000 -0.630 0.000 1.170 513 F HN -0.149 nan 8.300 nan 0.000 0.478 514 E N 0.597 120.796 120.200 -0.002 0.000 2.072 514 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 514 E C 0.184 176.770 176.600 -0.024 0.000 0.985 514 E CA 0.995 57.385 56.400 -0.017 0.000 0.801 514 E CB 0.014 29.704 29.700 -0.015 0.000 0.750 514 E HN 0.695 nan 8.360 nan 0.000 0.452 515 E N 0.787 120.961 120.200 -0.044 0.000 2.165 515 E HA 0.284 4.634 4.350 -0.000 0.000 0.266 515 E C -0.967 175.525 176.600 -0.181 0.000 0.889 515 E CA -0.388 55.956 56.400 -0.093 0.000 0.756 515 E CB 1.537 31.167 29.700 -0.116 0.000 1.131 515 E HN -0.262 nan 8.360 nan 0.000 0.411 516 V N 6.456 126.276 119.914 -0.156 0.000 2.614 516 V HA 0.254 4.374 4.120 -0.000 0.000 0.291 516 V C -1.611 174.266 176.094 -0.361 0.000 1.049 516 V CA -0.879 61.258 62.300 -0.271 0.000 1.038 516 V CB 0.716 32.509 31.823 -0.050 0.000 0.980 516 V HN 0.707 nan 8.190 nan 0.000 0.481 517 P HA 0.593 nan 4.420 nan 0.000 0.292 517 P C -1.102 176.123 177.300 -0.124 0.000 1.300 517 P CA -0.667 62.197 63.100 -0.393 0.000 0.900 517 P CB 1.975 33.257 31.700 -0.696 0.000 1.139 518 A N 2.516 125.284 122.820 -0.086 0.000 2.331 518 A HA 0.304 4.624 4.320 -0.000 0.000 0.283 518 A C 0.341 177.978 177.584 0.089 0.000 1.142 518 A CA -0.448 51.586 52.037 -0.006 0.000 0.812 518 A CB -0.009 18.971 19.000 -0.033 0.000 1.074 518 A HN 0.567 nan 8.150 nan 0.000 0.497 519 Q N 0.819 120.669 119.800 0.084 0.000 2.394 519 Q HA 0.397 4.737 4.340 -0.000 0.000 0.248 519 Q C -0.711 175.216 176.000 -0.122 0.000 0.992 519 Q CA -0.042 55.763 55.803 0.003 0.000 0.888 519 Q CB 0.827 29.471 28.738 -0.156 0.000 1.257 519 Q HN 0.677 nan 8.270 nan 0.000 0.462 520 L N 1.769 122.825 121.223 -0.279 0.000 2.349 520 L HA 0.261 4.601 4.340 -0.000 0.000 0.275 520 L C 0.768 177.534 176.870 -0.173 0.000 1.115 520 L CA -0.645 54.062 54.840 -0.222 0.000 0.820 520 L CB 0.611 42.491 42.059 -0.299 0.000 1.135 520 L HN 0.739 nan 8.230 nan 0.000 0.445 521 T N -1.996 112.500 114.554 -0.098 0.000 2.849 521 T HA 0.116 4.466 4.350 -0.000 0.000 0.284 521 T C 1.062 175.730 174.700 -0.052 0.000 1.004 521 T CA -0.787 61.271 62.100 -0.069 0.000 1.021 521 T CB 1.335 70.180 68.868 -0.037 0.000 1.013 521 T HN 0.522 nan 8.240 nan 0.000 0.527 522 E N 0.883 121.060 120.200 -0.038 0.000 2.147 522 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 522 E C 2.343 178.953 176.600 0.017 0.000 1.005 522 E CA 1.777 58.168 56.400 -0.015 0.000 0.810 522 E CB -0.997 28.698 29.700 -0.008 0.000 0.736 522 E HN 0.831 nan 8.360 nan 0.000 0.460 523 A N 1.328 124.159 122.820 0.019 0.000 1.845 523 A HA -0.204 4.116 4.320 -0.000 0.000 0.215 523 A C 1.999 179.626 177.584 0.072 0.000 1.195 523 A CA 1.579 53.642 52.037 0.042 0.000 0.616 523 A CB -0.630 18.388 19.000 0.031 0.000 0.832 523 A HN 0.239 nan 8.150 nan 0.000 0.443 524 E N -0.265 119.968 120.200 0.055 0.000 2.393 524 E HA -0.217 4.133 4.350 -0.000 0.000 0.201 524 E C 1.738 178.429 176.600 0.153 0.000 1.025 524 E CA 1.357 57.812 56.400 0.092 0.000 0.856 524 E CB -0.077 29.638 29.700 0.024 0.000 0.771 524 E HN 0.650 nan 8.360 nan 0.000 0.526 525 K N 0.205 120.675 120.400 0.117 0.000 2.218 525 K HA 0.104 4.424 4.320 -0.000 0.000 0.214 525 K C 1.860 178.591 176.600 0.218 0.000 1.033 525 K CA -0.115 56.276 56.287 0.173 0.000 0.949 525 K CB -0.051 32.490 32.500 0.068 0.000 0.993 525 K HN -0.156 nan 8.250 nan 0.000 0.464 526 K N 1.668 122.149 120.400 0.134 0.000 2.148 526 K HA -0.313 4.007 4.320 -0.000 0.000 0.213 526 K C 2.409 179.087 176.600 0.130 0.000 1.050 526 K CA 2.446 58.801 56.287 0.115 0.000 0.932 526 K CB -0.173 32.370 32.500 0.073 0.000 0.717 526 K HN 0.387 nan 8.250 nan 0.000 0.462 527 Q N -0.180 119.709 119.800 0.148 0.000 2.134 527 Q HA -0.131 4.209 4.340 -0.000 0.000 0.195 527 Q C 2.111 178.210 176.000 0.165 0.000 0.958 527 Q CA 0.564 56.446 55.803 0.131 0.000 0.840 527 Q CB -0.851 27.954 28.738 0.113 0.000 0.918 527 Q HN 0.523 nan 8.270 nan 0.000 0.467 528 W N 2.252 123.595 121.300 0.072 0.000 2.321 528 W HA -0.199 4.461 4.660 -0.000 0.000 0.285 528 W C 1.390 178.042 176.519 0.222 0.000 1.213 528 W CA 1.112 58.486 57.345 0.048 0.000 1.205 528 W CB -0.064 29.379 29.460 -0.029 0.000 1.134 528 W HN 0.195 nan 8.180 nan 0.000 0.549 529 I N 1.153 121.846 120.570 0.206 0.000 2.406 529 I HA -0.181 3.989 4.170 -0.000 0.000 0.249 529 I C 2.669 178.884 176.117 0.163 0.000 1.122 529 I CA 1.157 62.647 61.300 0.317 0.000 1.431 529 I CB -0.864 37.314 38.000 0.296 0.000 1.087 529 I HN -0.087 nan 8.210 nan 0.000 0.424 530 A N 0.760 123.631 122.820 0.085 0.000 2.172 530 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 530 A C 2.025 179.590 177.584 -0.031 0.000 1.154 530 A CA 1.079 53.127 52.037 0.019 0.000 0.701 530 A CB -0.449 18.565 19.000 0.024 0.000 0.789 530 A HN 0.357 nan 8.150 nan 0.000 0.465 531 K N -0.971 119.410 120.400 -0.031 0.000 2.459 531 K HA 0.097 4.417 4.320 -0.000 0.000 0.193 531 K C -0.134 176.343 176.600 -0.205 0.000 1.030 531 K CA -0.154 56.083 56.287 -0.082 0.000 1.026 531 K CB -0.167 32.265 32.500 -0.113 0.000 0.809 531 K HN 0.367 nan 8.250 nan 0.000 0.504 532 L N 2.445 123.457 121.223 -0.352 0.000 2.361 532 L HA 0.070 4.410 4.340 -0.000 0.000 0.278 532 L C 0.022 176.672 176.870 -0.368 0.000 1.113 532 L CA 0.548 54.974 54.840 -0.689 0.000 0.849 532 L CB 0.584 42.072 42.059 -0.951 0.000 1.155 532 L HN 0.105 nan 8.230 nan 0.000 0.452 533 T N 2.055 116.414 114.554 -0.326 0.000 2.916 533 T HA 0.752 5.102 4.350 -0.000 0.000 0.292 533 T C 0.158 174.782 174.700 -0.127 0.000 1.055 533 T CA -0.477 61.510 62.100 -0.188 0.000 1.009 533 T CB 1.546 70.334 68.868 -0.134 0.000 1.118 533 T HN 1.490 nan 8.240 nan 0.000 0.497 534 A N 0.692 123.460 122.820 -0.087 0.000 2.251 534 A HA 0.077 4.397 4.320 -0.000 0.000 0.283 534 A C 0.150 177.808 177.584 0.123 0.000 1.415 534 A CA 0.294 52.359 52.037 0.047 0.000 0.742 534 A CB -2.361 16.751 19.000 0.186 0.000 1.151 534 A HN 1.248 nan 8.150 nan 0.000 0.354 535 V N 1.801 121.739 119.914 0.040 0.000 2.532 535 V HA 0.657 4.777 4.120 -0.000 0.000 0.295 535 V C 0.740 176.946 176.094 0.187 0.000 1.041 535 V CA -0.053 62.293 62.300 0.078 0.000 0.926 535 V CB 2.108 33.952 31.823 0.035 0.000 0.992 535 V HN 0.833 nan 8.190 nan 0.000 0.457 536 S N 4.712 120.511 115.700 0.165 0.000 2.509 536 S HA 0.785 5.255 4.470 -0.000 0.000 0.297 536 S C -0.625 174.002 174.600 0.045 0.000 1.118 536 S CA -0.528 57.768 58.200 0.160 0.000 1.074 536 S CB 1.477 64.717 63.200 0.065 0.000 1.038 536 S HN 0.673 nan 8.310 nan 0.000 0.498 537 L N 1.997 123.227 121.223 0.012 0.000 2.464 537 L HA 0.705 5.045 4.340 -0.000 0.000 0.266 537 L C -0.865 175.993 176.870 -0.020 0.000 0.965 537 L CA -0.149 54.620 54.840 -0.118 0.000 0.833 537 L CB 2.010 43.885 42.059 -0.308 0.000 1.296 537 L HN 0.695 nan 8.230 nan 0.000 0.405 538 S N 2.627 118.310 115.700 -0.029 0.000 2.503 538 S HA 0.698 5.168 4.470 -0.000 0.000 0.301 538 S C -0.927 173.667 174.600 -0.010 0.000 1.087 538 S CA -0.339 57.870 58.200 0.015 0.000 1.042 538 S CB 1.876 65.091 63.200 0.025 0.000 1.043 538 S HN 0.723 nan 8.310 nan 0.000 0.489 539 S N 1.295 116.967 115.700 -0.047 0.000 2.568 539 S HA 0.420 4.890 4.470 -0.000 0.000 0.302 539 S C 0.162 174.647 174.600 -0.191 0.000 1.082 539 S CA -0.642 57.465 58.200 -0.155 0.000 1.009 539 S CB 1.157 64.067 63.200 -0.484 0.000 1.069 539 S HN 0.866 nan 8.310 nan 0.000 0.500 540 D N 1.657 121.955 120.400 -0.171 0.000 2.349 540 D HA 0.348 4.988 4.640 -0.000 0.000 0.214 540 D C 0.217 176.354 176.300 -0.271 0.000 1.063 540 D CA 0.002 53.913 54.000 -0.147 0.000 0.847 540 D CB 0.253 41.050 40.800 -0.006 0.000 0.933 540 D HN 0.533 nan 8.370 nan 0.000 0.513 541 A N 0.131 122.720 122.820 -0.385 0.000 2.608 541 A HA 0.495 4.815 4.320 -0.000 0.000 0.292 541 A C -0.680 176.521 177.584 -0.637 0.000 1.066 541 A CA -1.127 50.573 52.037 -0.562 0.000 0.676 541 A CB 0.375 19.024 19.000 -0.585 0.000 1.277 541 A HN 0.128 nan 8.150 nan 0.000 0.413 542 F N -0.387 119.306 119.950 -0.428 0.000 2.586 542 F HA 0.600 5.127 4.527 -0.000 0.000 0.344 542 F C -0.629 174.898 175.800 -0.455 0.000 1.188 542 F CA -0.700 57.031 58.000 -0.449 0.000 1.359 542 F CB -0.289 38.527 39.000 -0.308 0.000 1.129 542 F HN 0.259 nan 8.300 nan 0.000 0.609 543 F N 2.881 122.981 119.950 0.249 0.000 2.404 543 F HA 0.372 4.899 4.527 0.000 0.000 0.358 543 F C -1.507 174.386 175.800 0.154 0.000 1.120 543 F CA -2.210 55.874 58.000 0.140 0.000 1.144 543 F CB 0.777 39.828 39.000 0.084 0.000 1.133 543 F HN 0.296 nan 8.300 nan 0.000 0.495 544 P HA -0.127 nan 4.420 nan 0.000 0.214 544 P C -0.408 176.756 177.300 -0.227 0.000 1.163 544 P CA 1.693 64.663 63.100 -0.218 0.000 0.883 544 P CB 0.222 31.502 31.700 -0.700 0.000 0.788 545 F N -2.869 117.179 119.950 0.164 0.000 2.679 545 F HA 0.418 4.945 4.527 -0.000 0.000 0.341 545 F C 1.811 177.647 175.800 0.060 0.000 1.095 545 F CA -1.231 56.823 58.000 0.090 0.000 1.004 545 F CB 0.014 39.045 39.000 0.051 0.000 1.388 545 F HN -0.342 nan 8.300 nan 0.000 0.505 546 R N -0.015 120.629 120.500 0.240 0.000 2.236 546 R HA -0.036 4.304 4.340 -0.000 0.000 0.208 546 R C 0.632 176.952 176.300 0.034 0.000 1.036 546 R CA 1.407 57.559 56.100 0.086 0.000 1.001 546 R CB -0.731 29.603 30.300 0.056 0.000 0.896 546 R HN 0.617 nan 8.270 nan 0.000 0.464 547 D N 1.404 121.858 120.400 0.090 0.000 2.228 547 D HA -0.232 4.408 4.640 -0.000 0.000 0.203 547 D C 0.984 177.278 176.300 -0.010 0.000 0.988 547 D CA 1.094 55.124 54.000 0.051 0.000 0.864 547 D CB -0.615 40.244 40.800 0.098 0.000 0.928 547 D HN 0.312 nan 8.370 nan 0.000 0.469 548 N N 0.375 119.039 118.700 -0.061 0.000 2.188 548 N HA -0.081 4.659 4.740 -0.000 0.000 0.184 548 N C 1.997 177.313 175.510 -0.323 0.000 1.018 548 N CA 1.089 54.002 53.050 -0.229 0.000 0.858 548 N CB 0.070 38.273 38.487 -0.473 0.000 0.989 548 N HN 0.235 nan 8.380 nan 0.000 0.426 549 V N 1.668 121.420 119.914 -0.269 0.000 2.591 549 V HA -0.101 4.019 4.120 -0.000 0.000 0.249 549 V C 1.635 177.663 176.094 -0.109 0.000 1.053 549 V CA 1.262 63.433 62.300 -0.215 0.000 1.068 549 V CB -0.386 31.348 31.823 -0.149 0.000 0.689 549 V HN 0.135 nan 8.190 nan 0.000 0.462 550 D N 0.716 121.076 120.400 -0.066 0.000 2.097 550 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 550 D C 2.216 178.505 176.300 -0.017 0.000 0.984 550 D CA 1.302 55.283 54.000 -0.032 0.000 0.826 550 D CB -0.175 40.617 40.800 -0.013 0.000 0.973 550 D HN 0.284 nan 8.370 nan 0.000 0.460 551 R N 1.664 122.158 120.500 -0.010 0.000 2.088 551 R HA -0.083 4.257 4.340 -0.000 0.000 0.232 551 R C 2.187 178.516 176.300 0.049 0.000 1.136 551 R CA 2.130 58.246 56.100 0.027 0.000 0.926 551 R CB -1.091 29.237 30.300 0.046 0.000 0.837 551 R HN 0.071 nan 8.270 nan 0.000 0.429 552 A N 0.633 123.475 122.820 0.038 0.000 1.971 552 A HA -0.300 4.020 4.320 -0.000 0.000 0.222 552 A C 2.117 179.732 177.584 0.052 0.000 1.182 552 A CA 2.355 54.446 52.037 0.091 0.000 0.649 552 A CB -0.705 18.257 19.000 -0.064 0.000 0.818 552 A HN 0.402 nan 8.150 nan 0.000 0.458 553 K N 0.228 120.622 120.400 -0.011 0.000 2.002 553 K HA -0.068 4.252 4.320 -0.000 0.000 0.209 553 K C 1.594 178.187 176.600 -0.011 0.000 1.048 553 K CA 1.424 57.694 56.287 -0.029 0.000 0.930 553 K CB -0.339 32.136 32.500 -0.042 0.000 0.714 553 K HN 0.446 nan 8.250 nan 0.000 0.438 554 R N 0.034 120.538 120.500 0.006 0.000 2.500 554 R HA -0.031 4.309 4.340 -0.000 0.000 0.212 554 R C 0.531 176.846 176.300 0.024 0.000 1.330 554 R CA 0.414 56.523 56.100 0.015 0.000 1.262 554 R CB -0.303 30.011 30.300 0.023 0.000 0.998 554 R HN 0.255 nan 8.270 nan 0.000 0.484 555 I N -2.744 117.836 120.570 0.017 0.000 4.967 555 I HA 0.193 4.363 4.170 -0.000 0.000 0.361 555 I C 0.843 176.930 176.117 -0.050 0.000 1.230 555 I CA 0.577 61.877 61.300 0.001 0.000 1.420 555 I CB 1.233 39.224 38.000 -0.017 0.000 1.716 555 I HN 0.190 nan 8.210 nan 0.000 0.578 556 G N 0.656 109.426 108.800 -0.050 0.000 2.205 556 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.180 556 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.180 556 G C 0.130 174.978 174.900 -0.086 0.000 1.004 556 G CA -0.033 45.004 45.100 -0.105 0.000 0.670 556 G HN 0.243 nan 8.290 nan 0.000 0.496 557 V N 1.220 121.119 119.914 -0.025 0.000 2.673 557 V HA 0.313 4.433 4.120 -0.000 0.000 0.303 557 V C 1.314 177.304 176.094 -0.172 0.000 1.046 557 V CA 1.563 63.837 62.300 -0.043 0.000 1.126 557 V CB 1.660 33.480 31.823 -0.005 0.000 0.934 557 V HN 0.486 nan 8.190 nan 0.000 0.487 558 Q N 2.372 121.979 119.800 -0.321 0.000 2.171 558 Q HA 0.275 4.615 4.340 -0.000 0.000 0.250 558 Q C -0.854 174.603 176.000 -0.904 0.000 0.791 558 Q CA 0.158 55.560 55.803 -0.667 0.000 0.950 558 Q CB 0.913 29.077 28.738 -0.957 0.000 1.151 558 Q HN 0.700 nan 8.270 nan 0.000 0.480 559 F N 0.811 120.742 119.950 -0.032 0.000 2.539 559 F HA 0.570 5.097 4.527 -0.000 0.000 0.318 559 F C -0.414 175.382 175.800 -0.006 0.000 1.135 559 F CA -0.764 57.223 58.000 -0.022 0.000 0.915 559 F CB 1.501 40.475 39.000 -0.042 0.000 1.176 559 F HN -0.174 nan 8.300 nan 0.000 0.440 560 I N 3.499 124.178 120.570 0.180 0.000 2.569 560 I HA 0.506 4.676 4.170 -0.000 0.000 0.290 560 I C -1.289 174.949 176.117 0.201 0.000 1.088 560 I CA -1.109 60.285 61.300 0.157 0.000 1.047 560 I CB 2.344 40.421 38.000 0.129 0.000 1.237 560 I HN 0.403 nan 8.210 nan 0.000 0.421 561 V N 5.907 125.939 119.914 0.195 0.000 2.628 561 V HA 0.989 5.109 4.120 -0.000 0.000 0.306 561 V C -0.532 175.631 176.094 0.115 0.000 1.045 561 V CA 0.026 62.439 62.300 0.189 0.000 0.905 561 V CB 1.567 33.530 31.823 0.233 0.000 0.997 561 V HN 0.971 nan 8.190 nan 0.000 0.436 562 A N 6.351 129.213 122.820 0.071 0.000 2.567 562 A HA 0.866 5.186 4.320 -0.000 0.000 0.291 562 A C -3.338 174.153 177.584 -0.155 0.000 1.048 562 A CA -1.115 50.874 52.037 -0.080 0.000 0.661 562 A CB 1.664 20.591 19.000 -0.122 0.000 1.288 562 A HN 0.622 nan 8.150 nan 0.000 0.424 563 P HA 0.494 nan 4.420 nan 0.000 0.278 563 P C 0.158 177.200 177.300 -0.430 0.000 1.266 563 P CA -0.108 62.834 63.100 -0.263 0.000 0.807 563 P CB 1.124 32.688 31.700 -0.226 0.000 1.094 564 S N -0.092 115.385 115.700 -0.370 0.000 2.298 564 S HA 0.460 4.930 4.470 -0.000 0.000 0.245 564 S C 1.388 175.858 174.600 -0.217 0.000 1.230 564 S CA 0.490 58.434 58.200 -0.427 0.000 1.009 564 S CB -0.799 62.310 63.200 -0.152 0.000 1.019 564 S HN 0.824 nan 8.310 nan 0.000 0.459 565 G N 0.488 109.153 108.800 -0.224 0.000 2.268 565 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.240 565 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.240 565 G C 0.390 174.763 174.900 -0.879 0.000 1.010 565 G CA 0.389 45.290 45.100 -0.331 0.000 0.618 565 G HN 0.880 nan 8.290 nan 0.000 0.516 566 S N 1.359 116.471 115.700 -0.979 0.000 2.466 566 S HA 0.521 4.991 4.470 -0.000 0.000 0.286 566 S C 1.869 176.194 174.600 -0.459 0.000 1.221 566 S CA 0.779 58.367 58.200 -1.021 0.000 1.091 566 S CB 0.641 63.592 63.200 -0.415 0.000 0.956 566 S HN 1.691 nan 8.310 nan 0.000 0.501 567 A N 4.494 127.070 122.820 -0.408 0.000 2.148 567 A HA 0.033 4.353 4.320 -0.000 0.000 0.222 567 A C 1.511 179.051 177.584 -0.073 0.000 1.161 567 A CA 1.648 53.580 52.037 -0.175 0.000 0.662 567 A CB -0.460 18.477 19.000 -0.105 0.000 0.799 567 A HN 1.295 nan 8.150 nan 0.000 0.466 568 A N -0.916 121.875 122.820 -0.049 0.000 2.985 568 A HA 0.421 4.741 4.320 -0.000 0.000 0.303 568 A C 0.480 178.100 177.584 0.058 0.000 1.048 568 A CA -0.069 51.994 52.037 0.043 0.000 1.016 568 A CB 0.101 19.191 19.000 0.150 0.000 1.118 568 A HN 0.231 nan 8.150 nan 0.000 0.529 569 D N 0.379 120.800 120.400 0.035 0.000 2.224 569 D HA -0.098 4.542 4.640 -0.000 0.000 0.205 569 D C 1.282 177.634 176.300 0.088 0.000 0.965 569 D CA 1.195 55.270 54.000 0.125 0.000 0.852 569 D CB 0.354 41.263 40.800 0.181 0.000 0.947 569 D HN 0.601 nan 8.370 nan 0.000 0.494 570 E N 0.206 120.432 120.200 0.044 0.000 2.076 570 E HA -0.068 4.282 4.350 -0.000 0.000 0.190 570 E C 2.376 178.989 176.600 0.022 0.000 0.979 570 E CA 0.234 56.645 56.400 0.018 0.000 0.807 570 E CB -0.258 29.447 29.700 0.009 0.000 0.761 570 E HN 0.037 nan 8.360 nan 0.000 0.454 571 V N 0.627 120.564 119.914 0.039 0.000 2.255 571 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 571 V C 2.235 178.357 176.094 0.047 0.000 1.051 571 V CA 1.501 63.825 62.300 0.041 0.000 1.018 571 V CB -0.692 31.167 31.823 0.060 0.000 0.641 571 V HN 0.119 nan 8.190 nan 0.000 0.445 572 V N 0.053 120.014 119.914 0.079 0.000 2.214 572 V HA -0.322 3.798 4.120 -0.000 0.000 0.247 572 V C 2.260 178.377 176.094 0.039 0.000 1.051 572 V CA 2.625 64.977 62.300 0.086 0.000 1.003 572 V CB -0.580 31.340 31.823 0.162 0.000 0.635 572 V HN 0.436 nan 8.190 nan 0.000 0.447 573 I N -0.131 120.448 120.570 0.015 0.000 2.182 573 I HA -0.324 3.846 4.170 -0.000 0.000 0.248 573 I C 2.613 178.714 176.117 -0.026 0.000 1.073 573 I CA 1.682 62.958 61.300 -0.039 0.000 1.335 573 I CB -0.554 37.398 38.000 -0.080 0.000 1.031 573 I HN 0.410 nan 8.210 nan 0.000 0.420 574 E N 0.731 120.923 120.200 -0.013 0.000 2.153 574 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 574 E C 2.317 178.908 176.600 -0.014 0.000 0.988 574 E CA 1.332 57.724 56.400 -0.013 0.000 0.811 574 E CB -0.274 29.422 29.700 -0.006 0.000 0.746 574 E HN 0.561 nan 8.360 nan 0.000 0.466 575 A N 0.760 123.576 122.820 -0.008 0.000 1.877 575 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 575 A C 2.612 180.179 177.584 -0.028 0.000 1.186 575 A CA 1.539 53.568 52.037 -0.014 0.000 0.620 575 A CB -0.871 18.125 19.000 -0.006 0.000 0.822 575 A HN 0.362 nan 8.150 nan 0.000 0.443 576 C N -0.248 119.034 119.300 -0.030 0.000 2.457 576 C HA -0.045 4.415 4.460 -0.000 0.000 0.278 576 C C 2.637 177.600 174.990 -0.044 0.000 1.309 576 C CA 0.845 59.837 59.018 -0.043 0.000 1.735 576 C CB -1.433 26.284 27.740 -0.037 0.000 1.992 576 C HN 0.623 nan 8.230 nan 0.000 0.493 577 N N 1.447 120.125 118.700 -0.036 0.000 2.120 577 N HA -0.144 4.596 4.740 -0.000 0.000 0.188 577 N C 1.648 177.138 175.510 -0.033 0.000 1.024 577 N CA 1.632 54.661 53.050 -0.034 0.000 0.852 577 N CB -0.698 37.773 38.487 -0.028 0.000 1.003 577 N HN 0.788 nan 8.380 nan 0.000 0.424 578 E N 0.495 120.677 120.200 -0.030 0.000 2.516 578 E HA -0.026 4.324 4.350 -0.000 0.000 0.199 578 E C 1.036 177.615 176.600 -0.035 0.000 1.069 578 E CA 0.501 56.885 56.400 -0.028 0.000 0.876 578 E CB -0.042 29.644 29.700 -0.023 0.000 0.843 578 E HN 0.335 nan 8.360 nan 0.000 0.530 579 L N -0.543 120.653 121.223 -0.044 0.000 3.086 579 L HA 0.369 4.709 4.340 -0.000 0.000 0.274 579 L C 1.147 177.973 176.870 -0.072 0.000 1.184 579 L CA 0.085 54.892 54.840 -0.055 0.000 1.002 579 L CB 0.888 42.913 42.059 -0.058 0.000 1.383 579 L HN 0.368 nan 8.230 nan 0.000 0.582 580 G N 1.441 110.200 108.800 -0.068 0.000 2.168 580 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.263 580 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.263 580 G C 0.289 175.117 174.900 -0.119 0.000 0.977 580 G CA 0.088 45.139 45.100 -0.083 0.000 0.659 580 G HN 0.311 nan 8.290 nan 0.000 0.533 581 I N 1.992 122.492 120.570 -0.117 0.000 2.416 581 I HA 0.196 4.366 4.170 -0.000 0.000 0.288 581 I C 0.780 176.842 176.117 -0.093 0.000 1.051 581 I CA -0.103 61.107 61.300 -0.150 0.000 1.375 581 I CB 0.990 38.918 38.000 -0.120 0.000 1.407 581 I HN 0.017 nan 8.210 nan 0.000 0.516 582 T N 7.759 122.256 114.554 -0.094 0.000 2.752 582 T HA 0.310 4.660 4.350 -0.000 0.000 0.295 582 T C -0.319 174.423 174.700 0.070 0.000 0.923 582 T CA -0.251 61.870 62.100 0.035 0.000 1.112 582 T CB 0.485 69.469 68.868 0.192 0.000 0.884 582 T HN 0.206 nan 8.240 nan 0.000 0.525 583 L N 5.487 126.740 121.223 0.049 0.000 2.333 583 L HA 0.675 5.015 4.340 -0.000 0.000 0.280 583 L C -1.108 175.801 176.870 0.066 0.000 1.004 583 L CA -0.796 54.082 54.840 0.063 0.000 0.820 583 L CB 0.989 43.057 42.059 0.015 0.000 1.247 583 L HN 0.595 nan 8.230 nan 0.000 0.416 584 I N 4.784 125.439 120.570 0.141 0.000 2.404 584 I HA 0.396 4.566 4.170 -0.000 0.000 0.293 584 I C -0.297 175.959 176.117 0.232 0.000 0.992 584 I CA -0.474 60.920 61.300 0.156 0.000 1.149 584 I CB 1.364 39.494 38.000 0.216 0.000 1.315 584 I HN 0.604 nan 8.210 nan 0.000 0.446 585 H N 3.255 122.343 119.070 0.031 0.000 2.499 585 H HA 0.586 5.142 4.556 0.000 0.000 0.340 585 H C -0.408 174.898 175.328 -0.036 0.000 1.148 585 H CA -0.644 55.406 56.048 0.004 0.000 1.215 585 H CB 2.102 31.867 29.762 0.004 0.000 1.529 585 H HN 0.655 nan 8.280 nan 0.000 0.510 586 T N -0.958 113.593 114.554 -0.006 0.000 2.742 586 T HA 0.155 4.505 4.350 -0.000 0.000 0.282 586 T C 0.429 175.068 174.700 -0.103 0.000 1.025 586 T CA -0.820 61.233 62.100 -0.077 0.000 1.020 586 T CB 1.833 70.622 68.868 -0.132 0.000 1.317 586 T HN 0.497 nan 8.240 nan 0.000 0.538 587 N N -1.445 117.189 118.700 -0.110 0.000 2.297 587 N HA 0.176 4.916 4.740 -0.000 0.000 0.208 587 N C -0.128 175.305 175.510 -0.129 0.000 1.176 587 N CA -0.306 52.680 53.050 -0.106 0.000 0.882 587 N CB 0.016 38.455 38.487 -0.081 0.000 1.134 587 N HN 0.545 nan 8.380 nan 0.000 0.489 588 L N 2.840 123.979 121.223 -0.141 0.000 2.530 588 L HA 0.248 4.588 4.340 -0.000 0.000 0.273 588 L C 0.445 177.202 176.870 -0.189 0.000 1.141 588 L CA 0.241 54.988 54.840 -0.155 0.000 0.905 588 L CB -0.242 41.722 42.059 -0.159 0.000 1.202 588 L HN 0.079 nan 8.230 nan 0.000 0.473 589 R N 4.499 124.873 120.500 -0.211 0.000 2.528 589 R HA 0.399 4.739 4.340 -0.000 0.000 0.271 589 R C -0.270 175.887 176.300 -0.238 0.000 1.056 589 R CA -0.556 55.367 56.100 -0.295 0.000 1.117 589 R CB 0.617 30.669 30.300 -0.412 0.000 1.085 589 R HN 0.858 nan 8.270 nan 0.000 0.530 590 L N 3.443 124.529 121.223 -0.230 0.000 3.289 590 L HA 0.288 4.628 4.340 -0.000 0.000 0.291 590 L C -0.593 176.308 176.870 0.051 0.000 1.279 590 L CA -0.575 54.196 54.840 -0.115 0.000 1.025 590 L CB 0.296 42.276 42.059 -0.132 0.000 1.413 590 L HN 0.475 nan 8.230 nan 0.000 0.593 591 F N 0.885 120.773 119.950 -0.102 0.000 2.623 591 F HA 0.016 4.543 4.527 -0.000 0.000 0.383 591 F C 0.737 176.519 175.800 -0.030 0.000 1.077 591 F CA 0.280 58.232 58.000 -0.080 0.000 1.268 591 F CB -0.223 38.755 39.000 -0.037 0.000 1.053 591 F HN 0.116 nan 8.300 nan 0.000 0.571 592 H N 3.921 122.889 119.070 -0.169 0.000 2.840 592 H HA 0.451 5.007 4.556 -0.000 0.000 0.340 592 H C -0.911 174.095 175.328 -0.536 0.000 1.004 592 H CA -0.437 55.480 56.048 -0.218 0.000 1.288 592 H CB 0.615 30.320 29.762 -0.096 0.000 1.607 592 H HN 0.570 nan 8.280 nan 0.000 0.522 593 H N 0.000 118.898 119.070 -0.287 0.000 2.539 593 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 593 H CA 0.000 55.873 56.048 -0.291 0.000 1.023 593 H CB 0.000 29.680 29.762 -0.137 0.000 1.292 593 H HN 0.000 nan 8.280 nan 0.000 0.496