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 2c8n_1_D DATA FIRST_RESID 4 DATA SEQUENCE ARMTVDKDYK IAEIDKRIYG SFVEHLGRAV YDGLYQPGNS KSDEDGFRKD DATA SEQUENCE VIELVKELNV PIIRYPGGNF VSNYFWEDGV GPVEDRPRRL DLAWKSIEPN DATA SEQUENCE QVGINEFAKW CKKVNAEIMM AVNLGTRGIS DACNLLEYCN HPGGSKYSDM DATA SEQUENCE RIKHGVKEPH NIKVWCLGNA MDGPWQVGHK TMDEYGRIAE ETARAMKMID DATA SEQUENCE PSIELVACGS SSKDMPTFPQ WEATVLDYAY DYVDYISLHQ YYGNKENDTA DATA SEQUENCE DFLAKSDDLD DFIRSVIATC DYIKAKKRSK KDIYLSFDEW NVWYHSNNED DATA SEQUENCE ANIMQNEPWR IAPPLLEDIY TFEDALLVGL MLITLMKHAD RIKIACLAQL DATA SEQUENCE INVIAPIVTE RNGGAAWRQT IFYPFMHASK YGRGIVLQPV INSPLHDTSK DATA SEQUENCE HEDVTDIESV AIYNEEKEEV TIFAVNRNIH EDIVLVSDVR GMKDYRLLEH DATA SEQUENCE IVLEHQDLKI RNSVNGEEVY PKNSDKSSFD DGIXTSMLRR ASWNVIRIG 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 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.587 177.584 0.005 0.000 1.274 4 A CA 0.000 52.044 52.037 0.012 0.000 0.836 4 A CB 0.000 19.008 19.000 0.014 0.000 0.831 5 R N 1.530 122.032 120.500 0.003 0.000 2.536 5 R HA 0.968 5.308 4.340 -0.000 0.000 0.279 5 R C -0.153 176.143 176.300 -0.007 0.000 1.001 5 R CA 0.423 56.522 56.100 -0.001 0.000 1.027 5 R CB 1.169 nan 30.300 nan 0.000 1.096 5 R HN 1.813 nan 8.270 nan 0.000 0.502 6 M N 1.236 120.829 119.600 -0.011 0.000 2.465 6 M HA 0.501 4.981 4.480 -0.000 0.000 0.284 6 M C -1.064 175.224 176.300 -0.020 0.000 1.212 6 M CA -0.469 54.820 55.300 -0.018 0.000 0.910 6 M CB 2.848 35.433 32.600 -0.025 0.000 1.725 6 M HN 0.886 nan 8.290 nan 0.000 0.477 7 T N 1.052 115.592 114.554 -0.024 0.000 2.807 7 T HA 0.708 5.058 4.350 -0.000 0.000 0.279 7 T C -1.082 173.594 174.700 -0.040 0.000 0.993 7 T CA -0.672 61.411 62.100 -0.028 0.000 0.970 7 T CB 1.390 70.242 68.868 -0.026 0.000 0.950 7 T HN 0.425 nan 8.240 nan 0.000 0.441 8 V N 3.572 123.455 119.914 -0.052 0.000 2.328 8 V HA 0.523 4.643 4.120 -0.000 0.000 0.278 8 V C -0.582 175.456 176.094 -0.092 0.000 1.021 8 V CA -0.476 61.780 62.300 -0.073 0.000 0.838 8 V CB 1.034 32.802 31.823 -0.093 0.000 0.999 8 V HN 1.046 nan 8.190 nan 0.000 0.447 9 D N 2.903 123.251 120.400 -0.087 0.000 2.757 9 D HA 0.311 4.951 4.640 -0.000 0.000 0.249 9 D C 0.919 177.155 176.300 -0.106 0.000 1.168 9 D CA -0.446 53.495 54.000 -0.097 0.000 0.870 9 D CB 2.186 42.948 40.800 -0.065 0.000 1.411 9 D HN 0.271 nan 8.370 nan 0.000 0.525 10 K N 1.309 121.613 120.400 -0.158 0.000 2.211 10 K HA -0.077 4.243 4.320 -0.000 0.000 0.203 10 K C 0.835 177.402 176.600 -0.056 0.000 1.050 10 K CA 1.065 57.260 56.287 -0.153 0.000 0.945 10 K CB -0.522 31.814 32.500 -0.275 0.000 0.732 10 K HN 0.449 nan 8.250 nan 0.000 0.451 11 D N -0.065 120.303 120.400 -0.053 0.000 2.310 11 D HA -0.039 4.601 4.640 -0.000 0.000 0.212 11 D C 0.955 177.247 176.300 -0.014 0.000 0.965 11 D CA 1.618 55.603 54.000 -0.025 0.000 0.879 11 D CB -0.464 40.320 40.800 -0.028 0.000 0.921 11 D HN 0.712 nan 8.370 nan 0.000 0.510 12 Y N 1.335 121.623 120.300 -0.020 0.000 2.888 12 Y HA 0.401 4.951 4.550 -0.000 0.000 0.341 12 Y C 0.588 176.485 175.900 -0.004 0.000 1.241 12 Y CA -1.099 56.993 58.100 -0.013 0.000 1.440 12 Y CB -1.003 37.444 38.460 -0.021 0.000 1.517 12 Y HN -0.231 nan 8.280 nan 0.000 0.518 13 K N 1.412 121.817 120.400 0.008 0.000 2.185 13 K HA 0.529 4.849 4.320 -0.000 0.000 0.271 13 K C 0.376 176.981 176.600 0.009 0.000 1.013 13 K CA -0.104 56.194 56.287 0.018 0.000 0.943 13 K CB 1.962 34.481 32.500 0.032 0.000 0.998 13 K HN 0.715 nan 8.250 nan 0.000 0.468 14 I N 0.651 121.225 120.570 0.007 0.000 2.726 14 I HA 0.096 4.266 4.170 -0.000 0.000 0.243 14 I C 0.470 176.594 176.117 0.012 0.000 1.082 14 I CA 0.289 61.587 61.300 -0.003 0.000 1.447 14 I CB 0.522 38.502 38.000 -0.033 0.000 1.250 14 I HN 0.689 nan 8.210 nan 0.000 0.453 15 A N 0.321 123.150 122.820 0.015 0.000 2.566 15 A HA 0.444 4.764 4.320 -0.000 0.000 0.290 15 A C -1.297 176.299 177.584 0.019 0.000 1.071 15 A CA -0.504 51.545 52.037 0.019 0.000 0.658 15 A CB 0.956 19.967 19.000 0.017 0.000 1.285 15 A HN 0.155 nan 8.150 nan 0.000 0.427 16 E N 0.740 120.948 120.200 0.013 0.000 2.316 16 E HA 0.480 4.829 4.350 -0.000 0.000 0.275 16 E C -0.766 175.831 176.600 -0.006 0.000 1.029 16 E CA -0.119 56.285 56.400 0.006 0.000 0.871 16 E CB 0.434 30.134 29.700 -0.000 0.000 1.022 16 E HN 0.454 nan 8.360 nan 0.000 0.418 17 I N 4.033 124.604 120.570 0.001 0.000 2.556 17 I HA 0.010 4.180 4.170 -0.000 0.000 0.284 17 I C 0.348 176.452 176.117 -0.023 0.000 1.114 17 I CA 0.155 61.446 61.300 -0.014 0.000 1.418 17 I CB 0.628 38.641 38.000 0.022 0.000 1.394 17 I HN 0.648 nan 8.210 nan 0.000 0.552 18 D N 6.903 127.268 120.400 -0.059 0.000 2.249 18 D HA 0.045 4.685 4.640 -0.000 0.000 0.246 18 D C 0.947 177.206 176.300 -0.068 0.000 1.114 18 D CA -0.365 53.602 54.000 -0.056 0.000 0.854 18 D CB 1.317 42.074 40.800 -0.071 0.000 1.132 18 D HN 0.544 nan 8.370 nan 0.000 0.461 19 K N 3.320 123.720 120.400 -0.001 0.000 2.280 19 K HA -0.103 4.217 4.320 -0.000 0.000 0.202 19 K C 1.244 177.855 176.600 0.019 0.000 1.047 19 K CA 0.685 57.015 56.287 0.071 0.000 0.942 19 K CB 0.094 32.653 32.500 0.099 0.000 0.739 19 K HN 0.256 nan 8.250 nan 0.000 0.457 20 R N 1.349 121.833 120.500 -0.027 0.000 2.357 20 R HA 0.008 4.348 4.340 -0.000 0.000 0.202 20 R C 2.111 178.370 176.300 -0.068 0.000 1.047 20 R CA 0.901 56.985 56.100 -0.027 0.000 1.034 20 R CB -0.533 29.745 30.300 -0.038 0.000 0.875 20 R HN 0.549 nan 8.270 nan 0.000 0.473 21 I N -3.471 116.970 120.570 -0.215 0.000 2.928 21 I HA -0.096 4.073 4.170 -0.000 0.000 0.266 21 I C 0.329 176.250 176.117 -0.325 0.000 1.234 21 I CA 0.880 61.989 61.300 -0.318 0.000 1.483 21 I CB 0.018 37.726 38.000 -0.486 0.000 1.097 21 I HN -0.064 nan 8.210 nan 0.000 0.455 22 Y N 2.895 123.198 120.300 0.006 0.000 2.801 22 Y HA 0.540 5.090 4.550 -0.000 0.000 0.340 22 Y C 1.390 177.468 175.900 0.298 0.000 1.088 22 Y CA -0.723 57.368 58.100 -0.016 0.000 1.444 22 Y CB -0.636 37.664 38.460 -0.267 0.000 1.251 22 Y HN 0.114 nan 8.280 nan 0.000 0.522 23 G N -0.537 108.471 108.800 0.345 0.000 2.528 23 G HA2 0.442 4.402 3.960 -0.000 0.000 0.289 23 G HA3 0.442 4.402 3.960 -0.000 0.000 0.289 23 G C -0.279 174.782 174.900 0.267 0.000 1.192 23 G CA -0.237 45.022 45.100 0.265 0.000 0.921 23 G HN 0.259 nan 8.290 nan 0.000 0.512 24 S N -1.535 114.248 115.700 0.138 0.000 2.971 24 S HA 0.826 5.296 4.470 -0.000 0.000 0.320 24 S C -1.890 172.818 174.600 0.179 0.000 1.111 24 S CA -0.598 57.632 58.200 0.050 0.000 0.870 24 S CB 1.392 64.542 63.200 -0.084 0.000 1.331 24 S HN 1.008 nan 8.310 nan 0.000 0.635 25 F N 1.087 121.006 119.950 -0.052 0.000 2.622 25 F HA 0.672 5.199 4.527 -0.000 0.000 0.318 25 F C -2.072 173.707 175.800 -0.036 0.000 1.135 25 F CA -0.802 57.184 58.000 -0.024 0.000 1.015 25 F CB 0.942 39.904 39.000 -0.064 0.000 1.275 25 F HN 0.329 nan 8.300 nan 0.000 0.457 26 V N 5.656 125.498 119.914 -0.121 0.000 2.483 26 V HA 0.485 4.605 4.120 -0.000 0.000 0.297 26 V C -0.703 175.098 176.094 -0.487 0.000 1.027 26 V CA -0.627 61.457 62.300 -0.360 0.000 0.855 26 V CB 1.716 33.520 31.823 -0.032 0.000 0.995 26 V HN 0.810 nan 8.190 nan 0.000 0.424 27 E N 2.603 122.376 120.200 -0.712 0.000 2.244 27 E HA 0.403 4.753 4.350 -0.000 0.000 0.266 27 E C -0.475 175.800 176.600 -0.542 0.000 0.914 27 E CA -0.825 55.258 56.400 -0.529 0.000 0.794 27 E CB 1.239 30.648 29.700 -0.483 0.000 1.210 27 E HN 0.770 nan 8.360 nan 0.000 0.414 28 H N 3.991 122.584 119.070 -0.795 0.000 3.792 28 H HA 0.121 4.677 4.556 -0.000 0.000 0.229 28 H C -0.528 174.463 175.328 -0.562 0.000 1.632 28 H CA 0.264 55.821 56.048 -0.818 0.000 1.522 28 H CB -0.267 28.599 29.762 -1.493 0.000 1.822 28 H HN 0.212 nan 8.280 nan 0.000 0.672 29 L N 1.143 122.097 121.223 -0.447 0.000 2.409 29 L HA 0.358 4.698 4.340 -0.000 0.000 0.272 29 L C 0.945 177.542 176.870 -0.456 0.000 0.980 29 L CA -0.217 54.279 54.840 -0.574 0.000 0.826 29 L CB 1.457 43.010 42.059 -0.844 0.000 1.268 29 L HN 0.703 nan 8.230 nan 0.000 0.407 30 G N 4.292 112.879 108.800 -0.355 0.000 2.702 30 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.342 30 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.342 30 G C 0.565 175.355 174.900 -0.185 0.000 1.258 30 G CA 0.766 45.716 45.100 -0.250 0.000 0.990 30 G HN 0.718 nan 8.290 nan 0.000 0.548 31 R N 1.201 121.573 120.500 -0.213 0.000 2.696 31 R HA 0.540 4.880 4.340 -0.000 0.000 0.355 31 R C 2.139 178.298 176.300 -0.235 0.000 1.138 31 R CA 0.519 56.519 56.100 -0.168 0.000 1.059 31 R CB 0.301 30.520 30.300 -0.135 0.000 1.380 31 R HN 0.524 nan 8.270 nan 0.000 0.578 32 A N 0.422 123.052 122.820 -0.317 0.000 1.855 32 A HA -0.065 4.255 4.320 -0.000 0.000 0.215 32 A C 1.894 179.237 177.584 -0.401 0.000 1.191 32 A CA 1.247 53.060 52.037 -0.373 0.000 0.613 32 A CB -0.041 18.688 19.000 -0.452 0.000 0.829 32 A HN 0.118 nan 8.150 nan 0.000 0.442 33 V N -1.628 117.997 119.914 -0.481 0.000 2.423 33 V HA 0.012 4.132 4.120 -0.000 0.000 0.233 33 V C 0.730 176.553 176.094 -0.451 0.000 1.067 33 V CA 0.452 62.380 62.300 -0.620 0.000 1.073 33 V CB -0.975 30.226 31.823 -1.038 0.000 0.715 33 V HN 0.502 nan 8.190 nan 0.000 0.485 34 Y N 1.218 121.452 120.300 -0.110 0.000 2.442 34 Y HA 0.310 4.860 4.550 -0.000 0.000 0.330 34 Y C 0.941 176.800 175.900 -0.068 0.000 1.129 34 Y CA 0.071 58.162 58.100 -0.015 0.000 1.365 34 Y CB -0.262 38.201 38.460 0.005 0.000 1.233 34 Y HN 0.402 nan 8.280 nan 0.000 0.529 35 D N 0.374 120.814 120.400 0.066 0.000 2.911 35 D HA -0.180 4.460 4.640 -0.000 0.000 0.227 35 D C 0.499 176.760 176.300 -0.064 0.000 1.164 35 D CA 1.446 55.438 54.000 -0.013 0.000 0.782 35 D CB -0.892 39.905 40.800 -0.005 0.000 1.094 35 D HN 0.871 nan 8.370 nan 0.000 0.425 36 G N -0.906 107.836 108.800 -0.096 0.000 3.088 36 G HA2 0.357 4.317 3.960 -0.000 0.000 0.197 36 G HA3 0.357 4.317 3.960 -0.000 0.000 0.197 36 G C 1.090 175.918 174.900 -0.120 0.000 1.611 36 G CA 0.027 45.044 45.100 -0.138 0.000 0.771 36 G HN 0.448 nan 8.290 nan 0.000 0.789 37 L N -1.279 119.828 121.223 -0.193 0.000 2.141 37 L HA 0.337 4.677 4.340 -0.000 0.000 0.209 37 L C 1.044 177.901 176.870 -0.021 0.000 1.094 37 L CA 1.057 55.792 54.840 -0.175 0.000 0.763 37 L CB -0.583 41.101 42.059 -0.624 0.000 0.908 37 L HN 0.216 nan 8.230 nan 0.000 0.437 38 Y N 1.932 122.114 120.300 -0.197 0.000 2.417 38 Y HA 0.527 5.077 4.550 -0.000 0.000 0.336 38 Y C -0.739 175.114 175.900 -0.078 0.000 0.961 38 Y CA -0.915 57.123 58.100 -0.103 0.000 1.215 38 Y CB 0.598 38.940 38.460 -0.198 0.000 1.120 38 Y HN 0.258 nan 8.280 nan 0.000 0.499 39 Q N 8.159 127.665 119.800 -0.489 0.000 3.244 39 Q HA 0.217 4.557 4.340 -0.000 0.000 0.249 39 Q C -2.293 173.441 176.000 -0.444 0.000 0.951 39 Q CA -1.894 53.670 55.803 -0.398 0.000 0.740 39 Q CB 1.527 30.161 28.738 -0.174 0.000 1.334 39 Q HN 0.506 nan 8.270 nan 0.000 0.448 40 P HA -0.270 nan 4.420 nan 0.000 0.218 40 P C 1.389 178.561 177.300 -0.213 0.000 1.165 40 P CA 2.069 64.919 63.100 -0.417 0.000 0.922 40 P CB 0.157 31.675 31.700 -0.304 0.000 0.794 41 G N -1.275 107.431 108.800 -0.157 0.000 2.422 41 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 41 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 41 G C 0.924 175.776 174.900 -0.081 0.000 1.140 41 G CA 0.046 45.089 45.100 -0.095 0.000 0.775 41 G HN 0.300 nan 8.290 nan 0.000 0.545 42 N N 0.706 119.350 118.700 -0.094 0.000 2.395 42 N HA -0.042 4.697 4.740 -0.000 0.000 0.246 42 N C 1.941 177.423 175.510 -0.047 0.000 1.246 42 N CA 0.688 53.700 53.050 -0.065 0.000 0.879 42 N CB 1.034 39.481 38.487 -0.066 0.000 1.098 42 N HN 0.192 nan 8.380 nan 0.000 0.444 43 S N 2.905 118.586 115.700 -0.032 0.000 2.428 43 S HA -0.064 4.406 4.470 -0.000 0.000 0.230 43 S C 1.169 175.761 174.600 -0.015 0.000 1.014 43 S CA 0.897 59.084 58.200 -0.022 0.000 0.957 43 S CB 0.009 63.199 63.200 -0.016 0.000 0.784 43 S HN 0.609 nan 8.310 nan 0.000 0.499 44 K N 1.423 121.815 120.400 -0.013 0.000 2.487 44 K HA 0.272 4.591 4.320 -0.000 0.000 0.192 44 K C 0.022 176.627 176.600 0.008 0.000 1.027 44 K CA 0.005 56.292 56.287 -0.001 0.000 1.054 44 K CB 0.202 32.703 32.500 0.002 0.000 0.824 44 K HN 0.225 nan 8.250 nan 0.000 0.510 45 S N 1.523 117.218 115.700 -0.007 0.000 2.654 45 S HA 0.115 4.585 4.470 -0.000 0.000 0.283 45 S C -0.269 174.335 174.600 0.006 0.000 1.180 45 S CA -1.092 57.108 58.200 -0.001 0.000 1.021 45 S CB 1.202 64.366 63.200 -0.061 0.000 1.018 45 S HN 0.262 nan 8.310 nan 0.000 0.532 46 D N 0.099 120.520 120.400 0.035 0.000 2.440 46 D HA 0.082 4.722 4.640 -0.000 0.000 0.269 46 D C 0.677 176.969 176.300 -0.013 0.000 1.249 46 D CA -0.620 53.399 54.000 0.032 0.000 1.055 46 D CB 0.094 40.945 40.800 0.086 0.000 1.104 46 D HN 0.661 nan 8.370 nan 0.000 0.561 47 E N -1.276 118.924 120.200 -0.001 0.000 2.463 47 E HA -0.002 4.348 4.350 -0.000 0.000 0.191 47 E C -0.200 176.376 176.600 -0.041 0.000 1.083 47 E CA 0.065 56.454 56.400 -0.019 0.000 0.872 47 E CB -0.211 29.490 29.700 0.003 0.000 0.966 47 E HN 0.287 nan 8.360 nan 0.000 0.491 48 D N 0.288 120.634 120.400 -0.089 0.000 2.417 48 D HA 0.090 4.730 4.640 -0.000 0.000 0.207 48 D C 1.265 177.320 176.300 -0.409 0.000 1.075 48 D CA 0.792 54.658 54.000 -0.223 0.000 0.851 48 D CB 1.045 41.699 40.800 -0.243 0.000 0.976 48 D HN 0.377 nan 8.370 nan 0.000 0.505 49 G N 0.654 109.257 108.800 -0.328 0.000 2.159 49 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.227 49 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.227 49 G C -0.070 174.627 174.900 -0.339 0.000 0.986 49 G CA -0.485 44.387 45.100 -0.379 0.000 0.651 49 G HN 0.148 nan 8.290 nan 0.000 0.523 50 F N 1.576 121.573 119.950 0.078 0.000 2.412 50 F HA 0.595 5.122 4.527 -0.000 0.000 0.348 50 F C 1.254 177.098 175.800 0.073 0.000 1.102 50 F CA -1.214 56.861 58.000 0.124 0.000 1.196 50 F CB 0.647 39.823 39.000 0.293 0.000 1.144 50 F HN -0.144 nan 8.300 nan 0.000 0.541 51 R N 3.426 124.077 120.500 0.251 0.000 2.404 51 R HA 0.039 4.379 4.340 -0.000 0.000 0.315 51 R C 1.159 177.548 176.300 0.149 0.000 1.032 51 R CA 0.036 56.218 56.100 0.136 0.000 0.992 51 R CB 0.406 30.755 30.300 0.082 0.000 0.959 51 R HN 0.755 nan 8.270 nan 0.000 0.428 52 K N 1.874 122.332 120.400 0.097 0.000 2.063 52 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 52 K C 1.239 177.863 176.600 0.041 0.000 1.048 52 K CA 2.029 58.357 56.287 0.068 0.000 0.928 52 K CB 0.099 32.625 32.500 0.043 0.000 0.713 52 K HN 0.582 nan 8.250 nan 0.000 0.442 53 D N 1.066 121.487 120.400 0.035 0.000 2.117 53 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 53 D C 2.024 178.337 176.300 0.022 0.000 0.987 53 D CA 0.850 54.862 54.000 0.019 0.000 0.829 53 D CB -0.825 39.983 40.800 0.014 0.000 0.961 53 D HN -0.057 nan 8.370 nan 0.000 0.460 54 V N 1.182 121.124 119.914 0.047 0.000 2.252 54 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 54 V C 2.767 178.895 176.094 0.057 0.000 1.056 54 V CA 1.699 64.041 62.300 0.069 0.000 1.022 54 V CB -0.567 31.333 31.823 0.128 0.000 0.641 54 V HN 0.186 nan 8.190 nan 0.000 0.445 55 I N -0.350 120.247 120.570 0.045 0.000 2.145 55 I HA -0.281 3.889 4.170 -0.000 0.000 0.244 55 I C 2.644 178.696 176.117 -0.108 0.000 1.075 55 I CA 1.634 62.870 61.300 -0.108 0.000 1.332 55 I CB -0.536 37.393 38.000 -0.119 0.000 1.033 55 I HN 0.328 nan 8.210 nan 0.000 0.410 56 E N 0.745 120.918 120.200 -0.046 0.000 2.058 56 E HA -0.204 4.145 4.350 -0.000 0.000 0.194 56 E C 2.314 178.912 176.600 -0.004 0.000 0.997 56 E CA 1.391 57.773 56.400 -0.030 0.000 0.801 56 E CB -0.551 29.143 29.700 -0.009 0.000 0.746 56 E HN 0.511 nan 8.360 nan 0.000 0.450 57 L N 0.371 121.606 121.223 0.020 0.000 2.131 57 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 57 L C 2.477 179.411 176.870 0.105 0.000 1.092 57 L CA 0.556 55.458 54.840 0.103 0.000 0.759 57 L CB -0.408 41.698 42.059 0.078 0.000 0.903 57 L HN -0.019 nan 8.230 nan 0.000 0.435 58 V N -0.360 119.544 119.914 -0.017 0.000 2.358 58 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 58 V C 2.459 178.480 176.094 -0.121 0.000 1.047 58 V CA 1.605 63.842 62.300 -0.104 0.000 1.035 58 V CB -0.513 31.173 31.823 -0.229 0.000 0.658 58 V HN 0.388 nan 8.190 nan 0.000 0.452 59 K N -0.109 120.217 120.400 -0.123 0.000 2.097 59 K HA -0.222 4.097 4.320 -0.000 0.000 0.206 59 K C 2.250 178.820 176.600 -0.050 0.000 1.049 59 K CA 1.619 57.842 56.287 -0.106 0.000 0.933 59 K CB -0.162 32.274 32.500 -0.107 0.000 0.717 59 K HN 0.519 nan 8.250 nan 0.000 0.442 60 E N 1.020 121.226 120.200 0.010 0.000 2.097 60 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 60 E C 1.873 178.482 176.600 0.014 0.000 1.000 60 E CA 0.933 57.382 56.400 0.081 0.000 0.804 60 E CB 0.022 29.862 29.700 0.233 0.000 0.740 60 E HN 0.231 nan 8.360 nan 0.000 0.454 61 L N 0.767 121.944 121.223 -0.077 0.000 2.362 61 L HA -0.106 4.233 4.340 -0.000 0.000 0.219 61 L C 0.701 177.533 176.870 -0.064 0.000 1.134 61 L CA 0.169 54.888 54.840 -0.201 0.000 0.807 61 L CB -0.337 41.548 42.059 -0.290 0.000 0.927 61 L HN 0.303 nan 8.230 nan 0.000 0.447 62 N N 0.943 119.603 118.700 -0.067 0.000 2.614 62 N HA -0.176 4.564 4.740 -0.000 0.000 0.276 62 N C -0.928 174.584 175.510 0.003 0.000 1.119 62 N CA 0.186 53.199 53.050 -0.062 0.000 0.742 62 N CB -0.555 37.870 38.487 -0.103 0.000 0.900 62 N HN -0.052 nan 8.380 nan 0.000 0.549 63 V N 4.174 124.094 119.914 0.009 0.000 2.333 63 V HA 0.241 4.361 4.120 -0.000 0.000 0.274 63 V C -1.253 174.850 176.094 0.015 0.000 1.028 63 V CA -1.077 61.267 62.300 0.074 0.000 0.851 63 V CB 1.689 33.538 31.823 0.043 0.000 1.000 63 V HN 0.298 nan 8.190 nan 0.000 0.456 64 P HA 0.200 nan 4.420 nan 0.000 0.231 64 P C 0.084 177.387 177.300 0.005 0.000 1.168 64 P CA 0.635 63.744 63.100 0.014 0.000 0.779 64 P CB 0.700 32.423 31.700 0.039 0.000 0.844 65 I N -0.903 119.687 120.570 0.033 0.000 2.692 65 I HA 0.378 4.548 4.170 -0.000 0.000 0.293 65 I C -1.700 174.461 176.117 0.073 0.000 1.200 65 I CA -1.226 60.093 61.300 0.033 0.000 1.036 65 I CB 2.165 40.177 38.000 0.021 0.000 1.258 65 I HN -0.380 nan 8.210 nan 0.000 0.421 66 I N 6.914 127.545 120.570 0.101 0.000 2.439 66 I HA 0.438 4.608 4.170 -0.000 0.000 0.285 66 I C -0.119 176.144 176.117 0.243 0.000 1.021 66 I CA -0.648 60.772 61.300 0.199 0.000 1.091 66 I CB 1.756 39.927 38.000 0.285 0.000 1.242 66 I HN 0.531 nan 8.210 nan 0.000 0.439 67 R N 5.749 126.397 120.500 0.248 0.000 2.489 67 R HA 0.270 4.610 4.340 -0.000 0.000 0.287 67 R C -1.753 174.803 176.300 0.427 0.000 1.053 67 R CA 0.286 56.524 56.100 0.230 0.000 1.036 67 R CB 0.549 30.869 30.300 0.033 0.000 0.966 67 R HN 0.611 nan 8.270 nan 0.000 0.432 68 Y N 5.572 125.929 120.300 0.095 0.000 2.521 68 Y HA 0.280 4.829 4.550 -0.000 0.000 0.328 68 Y C -2.412 173.457 175.900 -0.052 0.000 1.151 68 Y CA -1.802 56.258 58.100 -0.067 0.000 1.054 68 Y CB 2.416 40.635 38.460 -0.402 0.000 1.338 68 Y HN 0.523 nan 8.280 nan 0.000 0.453 69 P HA 0.369 nan 4.420 nan 0.000 0.268 69 P C -0.180 176.973 177.300 -0.245 0.000 1.329 69 P CA 0.657 63.050 63.100 -1.179 0.000 0.899 69 P CB 0.997 31.846 31.700 -1.418 0.000 1.378 70 G N -1.829 107.040 108.800 0.117 0.000 2.466 70 G HA2 0.504 4.464 3.960 -0.000 0.000 0.291 70 G HA3 0.504 4.464 3.960 -0.000 0.000 0.291 70 G C -0.737 174.325 174.900 0.271 0.000 1.460 70 G CA 0.032 45.362 45.100 0.385 0.000 0.791 70 G HN 0.258 nan 8.290 nan 0.000 0.505 71 G N -0.744 108.238 108.800 0.304 0.000 2.699 71 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.686 71 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.686 71 G C 0.657 175.818 174.900 0.435 0.000 1.301 71 G CA 0.389 45.832 45.100 0.571 0.000 0.816 71 G HN 1.087 nan 8.290 nan 0.000 0.595 72 N N -0.653 118.344 118.700 0.495 0.000 2.137 72 N HA -0.154 4.586 4.740 -0.000 0.000 0.190 72 N C 2.138 177.795 175.510 0.245 0.000 1.017 72 N CA 1.802 55.035 53.050 0.304 0.000 0.859 72 N CB -0.135 38.420 38.487 0.113 0.000 1.002 72 N HN 0.571 nan 8.380 nan 0.000 0.428 73 F N 1.545 121.639 119.950 0.241 0.000 2.111 73 F HA -0.267 4.259 4.527 -0.000 0.000 0.300 73 F C 2.175 178.012 175.800 0.062 0.000 1.088 73 F CA 1.200 59.293 58.000 0.154 0.000 1.243 73 F CB -0.585 38.504 39.000 0.148 0.000 0.996 73 F HN -0.131 nan 8.300 nan 0.000 0.483 74 V N -0.663 119.305 119.914 0.090 0.000 2.809 74 V HA -0.189 3.930 4.120 -0.000 0.000 0.256 74 V C 2.093 178.158 176.094 -0.049 0.000 1.080 74 V CA 2.073 64.366 62.300 -0.012 0.000 1.102 74 V CB -0.501 31.379 31.823 0.095 0.000 0.705 74 V HN 0.421 nan 8.190 nan 0.000 0.475 75 S N 0.787 116.467 115.700 -0.034 0.000 2.595 75 S HA -0.051 4.419 4.470 -0.000 0.000 0.235 75 S C 1.282 175.817 174.600 -0.108 0.000 0.974 75 S CA 1.196 59.368 58.200 -0.045 0.000 0.942 75 S CB -0.373 62.819 63.200 -0.014 0.000 0.766 75 S HN 0.727 nan 8.310 nan 0.000 0.536 76 N N -0.120 118.476 118.700 -0.172 0.000 2.381 76 N HA 0.110 4.850 4.740 -0.000 0.000 0.257 76 N C -1.109 174.227 175.510 -0.291 0.000 1.409 76 N CA -0.375 52.554 53.050 -0.202 0.000 0.836 76 N CB 0.224 38.673 38.487 -0.064 0.000 1.384 76 N HN 0.259 nan 8.380 nan 0.000 0.490 77 Y N 0.569 120.546 120.300 -0.538 0.000 2.334 77 Y HA 0.545 5.095 4.550 -0.000 0.000 0.328 77 Y C -1.242 174.355 175.900 -0.505 0.000 1.130 77 Y CA -0.925 56.879 58.100 -0.493 0.000 1.163 77 Y CB 0.421 38.554 38.460 -0.545 0.000 1.207 77 Y HN -0.073 nan 8.280 nan 0.000 0.471 78 F N 7.138 126.633 119.950 -0.759 0.000 2.359 78 F HA 0.165 4.692 4.527 -0.000 0.000 0.369 78 F C 0.610 175.785 175.800 -1.042 0.000 1.084 78 F CA -1.138 56.445 58.000 -0.694 0.000 1.096 78 F CB 0.428 39.170 39.000 -0.429 0.000 1.335 78 F HN 0.804 nan 8.300 nan 0.000 0.457 79 W N 1.911 122.729 121.300 -0.804 0.000 2.331 79 W HA -0.199 4.461 4.660 -0.000 0.000 0.291 79 W C 0.707 177.089 176.519 -0.228 0.000 1.214 79 W CA 1.514 58.544 57.345 -0.526 0.000 1.228 79 W CB -0.701 28.691 29.460 -0.114 0.000 1.135 79 W HN 0.447 nan 8.180 nan 0.000 0.537 80 E N 1.191 120.794 120.200 -0.995 0.000 2.130 80 E HA -0.211 4.138 4.350 -0.000 0.000 0.196 80 E C 1.577 177.999 176.600 -0.297 0.000 0.998 80 E CA 2.201 58.145 56.400 -0.761 0.000 0.806 80 E CB -0.536 28.706 29.700 -0.762 0.000 0.738 80 E HN 0.168 nan 8.360 nan 0.000 0.459 81 D N -0.702 119.558 120.400 -0.234 0.000 2.309 81 D HA -0.067 4.573 4.640 -0.000 0.000 0.212 81 D C 1.373 177.700 176.300 0.045 0.000 0.968 81 D CA 1.227 55.178 54.000 -0.080 0.000 0.882 81 D CB -0.160 40.614 40.800 -0.043 0.000 0.918 81 D HN 0.290 nan 8.370 nan 0.000 0.503 82 G N 0.197 109.060 108.800 0.104 0.000 3.575 82 G HA2 0.353 4.313 3.960 -0.000 0.000 0.273 82 G HA3 0.353 4.313 3.960 -0.000 0.000 0.273 82 G C 0.284 175.297 174.900 0.187 0.000 1.053 82 G CA -0.068 45.172 45.100 0.233 0.000 0.803 82 G HN 0.184 nan 8.290 nan 0.000 0.528 83 V N -3.651 116.305 119.914 0.069 0.000 3.102 83 V HA 0.996 5.116 4.120 -0.000 0.000 0.312 83 V C 0.451 176.405 176.094 -0.234 0.000 1.135 83 V CA -0.395 61.889 62.300 -0.027 0.000 1.022 83 V CB 1.188 33.023 31.823 0.021 0.000 1.056 83 V HN 1.446 nan 8.190 nan 0.000 0.436 84 G N 1.829 110.309 108.800 -0.533 0.000 2.757 84 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.638 84 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.638 84 G C -2.814 172.043 174.900 -0.072 0.000 1.344 84 G CA -0.404 44.435 45.100 -0.435 0.000 0.855 84 G HN 1.080 nan 8.290 nan 0.000 0.537 85 P HA 0.054 nan 4.420 nan 0.000 0.255 85 P C 1.194 178.517 177.300 0.039 0.000 1.151 85 P CA 0.653 63.785 63.100 0.053 0.000 0.767 85 P CB 0.733 32.472 31.700 0.065 0.000 0.736 86 V N 3.495 123.439 119.914 0.050 0.000 2.828 86 V HA -0.264 3.856 4.120 -0.000 0.000 0.260 86 V C 1.772 177.896 176.094 0.050 0.000 1.101 86 V CA 2.077 64.410 62.300 0.056 0.000 1.123 86 V CB -0.732 31.134 31.823 0.072 0.000 0.704 86 V HN 0.432 nan 8.190 nan 0.000 0.493 87 E N -0.069 120.157 120.200 0.043 0.000 2.152 87 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 87 E C 1.656 178.272 176.600 0.026 0.000 0.983 87 E CA 1.428 57.849 56.400 0.034 0.000 0.818 87 E CB -0.212 29.507 29.700 0.032 0.000 0.758 87 E HN 0.615 nan 8.360 nan 0.000 0.467 88 D N 0.248 120.662 120.400 0.024 0.000 2.349 88 D HA 0.015 4.655 4.640 -0.000 0.000 0.215 88 D C 0.055 176.359 176.300 0.006 0.000 1.016 88 D CA 0.160 54.168 54.000 0.013 0.000 0.870 88 D CB 0.099 40.908 40.800 0.016 0.000 0.917 88 D HN 0.044 nan 8.370 nan 0.000 0.524 89 R N 2.260 122.771 120.500 0.018 0.000 2.401 89 R HA 0.180 4.520 4.340 -0.000 0.000 0.299 89 R C -2.098 174.216 176.300 0.024 0.000 1.064 89 R CA -0.942 55.172 56.100 0.024 0.000 1.000 89 R CB 0.408 30.740 30.300 0.054 0.000 0.973 89 R HN 0.074 nan 8.270 nan 0.000 0.438 90 P HA 0.194 nan 4.420 nan 0.000 0.279 90 P C -0.883 176.438 177.300 0.035 0.000 1.252 90 P CA -0.585 62.518 63.100 0.005 0.000 0.811 90 P CB 0.934 32.616 31.700 -0.030 0.000 1.035 91 R N 1.529 122.046 120.500 0.029 0.000 2.308 91 R HA 0.407 4.747 4.340 -0.000 0.000 0.305 91 R C 0.344 176.677 176.300 0.055 0.000 1.053 91 R CA -0.433 55.698 56.100 0.052 0.000 0.957 91 R CB 0.653 30.974 30.300 0.036 0.000 1.022 91 R HN 0.344 nan 8.270 nan 0.000 0.461 92 R N 2.652 123.216 120.500 0.107 0.000 2.711 92 R HA 0.367 4.707 4.340 -0.000 0.000 0.284 92 R C -0.468 175.938 176.300 0.176 0.000 0.968 92 R CA -1.023 55.145 56.100 0.114 0.000 0.924 92 R CB 1.146 31.531 30.300 0.142 0.000 1.162 92 R HN 0.505 nan 8.270 nan 0.000 0.465 93 L N 2.044 123.358 121.223 0.153 0.000 2.477 93 L HA 0.066 4.406 4.340 -0.000 0.000 0.272 93 L C 0.445 177.519 176.870 0.341 0.000 1.157 93 L CA -0.158 54.849 54.840 0.278 0.000 0.889 93 L CB 0.036 42.162 42.059 0.112 0.000 1.158 93 L HN 0.462 nan 8.230 nan 0.000 0.473 94 D N 3.737 124.401 120.400 0.440 0.000 2.347 94 D HA 0.209 4.849 4.640 -0.000 0.000 0.235 94 D C 0.849 177.324 176.300 0.293 0.000 1.149 94 D CA -0.316 53.889 54.000 0.342 0.000 0.850 94 D CB 1.042 42.107 40.800 0.443 0.000 1.061 94 D HN 0.379 nan 8.370 nan 0.000 0.487 95 L N 3.206 124.549 121.223 0.200 0.000 2.341 95 L HA 0.078 4.418 4.340 -0.000 0.000 0.214 95 L C 2.252 179.117 176.870 -0.007 0.000 1.115 95 L CA 0.582 55.518 54.840 0.159 0.000 0.820 95 L CB -0.462 41.676 42.059 0.133 0.000 0.944 95 L HN 0.484 nan 8.230 nan 0.000 0.452 96 A N 0.075 122.841 122.820 -0.089 0.000 1.902 96 A HA -0.178 4.141 4.320 -0.000 0.000 0.217 96 A C 1.222 178.392 177.584 -0.690 0.000 1.181 96 A CA 1.353 53.133 52.037 -0.429 0.000 0.623 96 A CB -0.548 18.165 19.000 -0.478 0.000 0.818 96 A HN 0.616 nan 8.150 nan 0.000 0.443 97 W N -1.717 119.608 121.300 0.042 0.000 2.128 97 W HA 0.521 5.181 4.660 -0.000 0.000 0.356 97 W C 0.327 176.727 176.519 -0.199 0.000 0.891 97 W CA -0.797 56.522 57.345 -0.045 0.000 2.408 97 W CB 0.429 29.884 29.460 -0.009 0.000 1.234 97 W HN 0.023 nan 8.180 nan 0.000 0.597 98 K N 0.742 121.003 120.400 -0.231 0.000 3.100 98 K HA -0.219 4.101 4.320 -0.000 0.000 0.261 98 K C -0.326 175.724 176.600 -0.916 0.000 0.920 98 K CA 0.688 56.435 56.287 -0.899 0.000 0.683 98 K CB -1.670 30.341 32.500 -0.815 0.000 1.349 98 K HN 0.107 nan 8.250 nan 0.000 0.473 99 S N -0.320 115.215 115.700 -0.274 0.000 2.648 99 S HA 0.629 5.099 4.470 -0.000 0.000 0.305 99 S C -0.059 174.737 174.600 0.327 0.000 1.094 99 S CA -1.013 57.206 58.200 0.031 0.000 0.983 99 S CB 1.517 64.787 63.200 0.116 0.000 1.101 99 S HN 0.136 nan 8.310 nan 0.000 0.514 100 I N 2.505 123.252 120.570 0.295 0.000 2.304 100 I HA 0.321 4.491 4.170 -0.000 0.000 0.291 100 I C 0.135 176.362 176.117 0.182 0.000 1.018 100 I CA -0.395 61.071 61.300 0.277 0.000 1.260 100 I CB 0.946 39.069 38.000 0.206 0.000 1.390 100 I HN 0.628 nan 8.210 nan 0.000 0.475 101 E N 10.357 130.696 120.200 0.233 0.000 2.089 101 E HA 0.319 4.669 4.350 -0.000 0.000 0.284 101 E C -1.924 174.762 176.600 0.144 0.000 1.023 101 E CA -1.940 54.601 56.400 0.234 0.000 0.819 101 E CB 1.251 31.215 29.700 0.440 0.000 1.076 101 E HN 0.255 nan 8.360 nan 0.000 0.396 102 P HA -0.017 nan 4.420 nan 0.000 0.231 102 P C -0.565 176.794 177.300 0.099 0.000 1.168 102 P CA 0.323 63.414 63.100 -0.014 0.000 0.779 102 P CB 0.209 31.796 31.700 -0.189 0.000 0.844 103 N N -0.496 118.341 118.700 0.228 0.000 2.782 103 N HA -0.177 4.563 4.740 -0.000 0.000 0.251 103 N C 0.823 176.499 175.510 0.277 0.000 1.101 103 N CA 0.777 54.014 53.050 0.312 0.000 0.764 103 N CB -1.822 36.812 38.487 0.245 0.000 1.122 103 N HN 0.416 nan 8.380 nan 0.000 0.561 104 Q N -0.332 119.651 119.800 0.306 0.000 2.297 104 Q HA 0.067 4.407 4.340 -0.000 0.000 0.204 104 Q C 0.525 176.552 176.000 0.045 0.000 0.962 104 Q CA 0.855 56.783 55.803 0.208 0.000 0.879 104 Q CB 0.465 29.379 28.738 0.293 0.000 0.947 104 Q HN 0.191 nan 8.270 nan 0.000 0.462 105 V N -0.439 119.523 119.914 0.081 0.000 2.581 105 V HA 0.771 4.891 4.120 -0.000 0.000 0.303 105 V C 0.016 176.261 176.094 0.251 0.000 1.041 105 V CA -0.515 61.754 62.300 -0.051 0.000 0.907 105 V CB 1.773 33.374 31.823 -0.369 0.000 0.994 105 V HN 0.191 nan 8.190 nan 0.000 0.442 106 G N 3.060 112.022 108.800 0.270 0.000 2.030 106 G HA2 0.445 4.405 3.960 -0.000 0.000 0.309 106 G HA3 0.445 4.405 3.960 -0.000 0.000 0.309 106 G C -0.304 174.822 174.900 0.378 0.000 1.668 106 G CA 0.002 45.346 45.100 0.406 0.000 0.926 106 G HN 0.683 nan 8.290 nan 0.000 0.652 107 I N 0.234 121.061 120.570 0.428 0.000 4.740 107 I HA -0.491 3.679 4.170 -0.000 0.000 0.046 107 I C 2.267 178.519 176.117 0.225 0.000 0.628 107 I CA 2.200 63.704 61.300 0.340 0.000 0.634 107 I CB -0.876 37.377 38.000 0.422 0.000 0.604 107 I HN 0.549 nan 8.210 nan 0.000 0.157 108 N N 0.587 119.488 118.700 0.336 0.000 2.142 108 N HA -0.133 4.607 4.740 -0.000 0.000 0.186 108 N C 1.599 177.253 175.510 0.240 0.000 1.023 108 N CA 1.989 55.242 53.050 0.337 0.000 0.852 108 N CB -0.326 38.398 38.487 0.396 0.000 0.998 108 N HN 0.547 nan 8.380 nan 0.000 0.424 109 E N 0.210 120.548 120.200 0.230 0.000 2.072 109 E HA -0.049 4.301 4.350 -0.000 0.000 0.191 109 E C 1.576 178.304 176.600 0.214 0.000 0.985 109 E CA 0.548 57.101 56.400 0.256 0.000 0.801 109 E CB -0.363 29.424 29.700 0.144 0.000 0.750 109 E HN 0.286 nan 8.360 nan 0.000 0.452 110 F N 0.622 120.522 119.950 -0.083 0.000 2.259 110 F HA -0.015 4.512 4.527 -0.000 0.000 0.298 110 F C 2.041 177.704 175.800 -0.228 0.000 1.088 110 F CA 1.000 58.817 58.000 -0.305 0.000 1.358 110 F CB -0.259 38.271 39.000 -0.784 0.000 1.040 110 F HN 0.021 nan 8.300 nan 0.000 0.505 111 A N 0.984 123.725 122.820 -0.131 0.000 1.902 111 A HA -0.252 4.067 4.320 -0.000 0.000 0.217 111 A C 2.183 179.663 177.584 -0.172 0.000 1.181 111 A CA 2.080 53.980 52.037 -0.229 0.000 0.623 111 A CB -0.788 17.950 19.000 -0.436 0.000 0.818 111 A HN 0.560 nan 8.150 nan 0.000 0.443 112 K N -2.419 117.941 120.400 -0.066 0.000 2.296 112 K HA -0.124 4.195 4.320 -0.000 0.000 0.200 112 K C 1.800 178.273 176.600 -0.211 0.000 1.048 112 K CA 0.999 57.266 56.287 -0.034 0.000 0.966 112 K CB -0.340 32.245 32.500 0.140 0.000 0.754 112 K HN 0.535 nan 8.250 nan 0.000 0.466 113 W N 1.784 122.671 121.300 -0.689 0.000 2.379 113 W HA -0.128 4.532 4.660 -0.000 0.000 0.307 113 W C 1.716 177.807 176.519 -0.713 0.000 1.200 113 W CA 1.114 57.837 57.345 -1.036 0.000 1.297 113 W CB -0.457 28.155 29.460 -1.415 0.000 1.140 113 W HN 0.119 nan 8.180 nan 0.000 0.507 114 C N 0.916 119.840 119.300 -0.627 0.000 2.413 114 C HA -0.178 4.282 4.460 -0.000 0.000 0.277 114 C C 2.656 177.380 174.990 -0.443 0.000 1.265 114 C CA 1.270 59.934 59.018 -0.589 0.000 1.752 114 C CB -1.205 26.290 27.740 -0.408 0.000 1.998 114 C HN 0.301 nan 8.230 nan 0.000 0.489 115 K N 0.981 121.187 120.400 -0.323 0.000 2.032 115 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 115 K C 2.067 178.512 176.600 -0.260 0.000 1.048 115 K CA 1.440 57.595 56.287 -0.219 0.000 0.927 115 K CB -0.254 32.170 32.500 -0.125 0.000 0.712 115 K HN 0.561 nan 8.250 nan 0.000 0.441 116 K N 0.650 120.843 120.400 -0.344 0.000 2.148 116 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 116 K C 1.878 178.228 176.600 -0.418 0.000 1.050 116 K CA 1.347 57.434 56.287 -0.334 0.000 0.942 116 K CB 0.010 32.311 32.500 -0.332 0.000 0.724 116 K HN 0.121 nan 8.250 nan 0.000 0.446 117 V N -1.484 118.055 119.914 -0.626 0.000 3.649 117 V HA 0.114 4.233 4.120 -0.000 0.000 0.275 117 V C -0.219 175.643 176.094 -0.387 0.000 1.281 117 V CA -0.159 61.781 62.300 -0.599 0.000 1.143 117 V CB -0.695 30.544 31.823 -0.974 0.000 0.892 117 V HN 0.297 nan 8.190 nan 0.000 0.441 118 N N 0.537 119.052 118.700 -0.308 0.000 2.754 118 N HA -0.155 4.585 4.740 -0.000 0.000 0.248 118 N C 0.114 175.517 175.510 -0.179 0.000 1.093 118 N CA 1.201 54.130 53.050 -0.201 0.000 0.699 118 N CB -1.375 37.022 38.487 -0.149 0.000 1.016 118 N HN 1.067 nan 8.380 nan 0.000 0.552 119 A N -0.328 122.357 122.820 -0.224 0.000 2.387 119 A HA 0.756 5.076 4.320 -0.000 0.000 0.303 119 A C -0.096 177.406 177.584 -0.136 0.000 1.145 119 A CA -0.542 51.395 52.037 -0.167 0.000 0.801 119 A CB 1.875 20.757 19.000 -0.196 0.000 1.342 119 A HN 0.150 nan 8.150 nan 0.000 0.440 120 E N -0.255 119.898 120.200 -0.077 0.000 2.244 120 E HA 0.469 4.819 4.350 -0.000 0.000 0.266 120 E C -1.072 175.513 176.600 -0.025 0.000 0.914 120 E CA -0.630 55.737 56.400 -0.055 0.000 0.794 120 E CB 2.502 32.183 29.700 -0.031 0.000 1.210 120 E HN 0.609 nan 8.360 nan 0.000 0.414 121 I N 1.943 122.498 120.570 -0.026 0.000 2.365 121 I HA 0.301 4.471 4.170 -0.000 0.000 0.291 121 I C -0.727 175.354 176.117 -0.059 0.000 1.004 121 I CA -0.504 60.811 61.300 0.024 0.000 1.311 121 I CB 0.648 38.686 38.000 0.064 0.000 1.401 121 I HN 0.545 nan 8.210 nan 0.000 0.491 122 M N 8.667 128.257 119.600 -0.018 0.000 2.055 122 M HA 0.353 4.833 4.480 -0.000 0.000 0.347 122 M C -1.066 175.169 176.300 -0.108 0.000 1.123 122 M CA -0.685 54.559 55.300 -0.093 0.000 1.035 122 M CB 0.988 33.568 32.600 -0.034 0.000 1.484 122 M HN 0.764 nan 8.290 nan 0.000 0.428 123 M N 5.146 124.542 119.600 -0.340 0.000 2.188 123 M HA 0.610 5.090 4.480 -0.000 0.000 0.357 123 M C -0.930 175.329 176.300 -0.068 0.000 1.204 123 M CA 0.071 55.183 55.300 -0.312 0.000 1.095 123 M CB 1.185 33.296 32.600 -0.815 0.000 1.604 123 M HN 0.704 nan 8.290 nan 0.000 0.464 124 A N 4.897 127.741 122.820 0.040 0.000 2.305 124 A HA 0.727 5.046 4.320 -0.000 0.000 0.322 124 A C -0.928 176.765 177.584 0.183 0.000 1.187 124 A CA -0.717 51.395 52.037 0.125 0.000 0.825 124 A CB 0.631 19.680 19.000 0.081 0.000 1.164 124 A HN 1.023 nan 8.150 nan 0.000 0.498 125 V N 0.951 120.998 119.914 0.222 0.000 2.483 125 V HA 0.478 4.598 4.120 -0.000 0.000 0.295 125 V C 0.181 176.359 176.094 0.140 0.000 1.035 125 V CA -1.192 61.229 62.300 0.202 0.000 0.896 125 V CB 1.524 33.464 31.823 0.196 0.000 0.986 125 V HN 0.830 nan 8.190 nan 0.000 0.447 126 N N 3.804 122.568 118.700 0.106 0.000 2.412 126 N HA 0.123 4.863 4.740 -0.000 0.000 0.279 126 N C -0.041 175.480 175.510 0.017 0.000 1.287 126 N CA 0.211 53.273 53.050 0.020 0.000 0.948 126 N CB 0.151 38.573 38.487 -0.109 0.000 1.255 126 N HN 0.864 nan 8.380 nan 0.000 0.485 127 L N 2.606 123.860 121.223 0.051 0.000 3.017 127 L HA 0.331 4.671 4.340 -0.000 0.000 0.255 127 L C 1.623 178.523 176.870 0.050 0.000 1.247 127 L CA -0.308 54.571 54.840 0.065 0.000 1.038 127 L CB 0.511 42.655 42.059 0.141 0.000 1.380 127 L HN 0.583 nan 8.230 nan 0.000 0.548 128 G N -0.170 108.631 108.800 0.002 0.000 2.662 128 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.207 128 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.207 128 G C 1.291 176.178 174.900 -0.021 0.000 1.154 128 G CA 1.080 46.175 45.100 -0.008 0.000 0.837 128 G HN 0.334 nan 8.290 nan 0.000 0.580 129 T N -2.240 112.279 114.554 -0.059 0.000 3.040 129 T HA 0.480 4.830 4.350 -0.000 0.000 0.266 129 T C 0.849 175.517 174.700 -0.052 0.000 1.005 129 T CA -0.406 61.670 62.100 -0.040 0.000 0.906 129 T CB 0.698 69.552 68.868 -0.024 0.000 1.082 129 T HN 0.093 nan 8.240 nan 0.000 0.531 130 R N -0.554 119.895 120.500 -0.086 0.000 2.930 130 R HA 0.785 5.125 4.340 -0.000 0.000 0.257 130 R C -0.060 176.228 176.300 -0.020 0.000 1.107 130 R CA -0.760 55.304 56.100 -0.059 0.000 0.999 130 R CB 1.988 32.212 30.300 -0.127 0.000 1.209 130 R HN 0.274 nan 8.270 nan 0.000 0.486 131 G N -0.331 108.466 108.800 -0.005 0.000 2.976 131 G HA2 0.279 4.239 3.960 -0.000 0.000 0.276 131 G HA3 0.279 4.239 3.960 -0.000 0.000 0.276 131 G C 0.711 175.601 174.900 -0.015 0.000 1.207 131 G CA -0.638 44.455 45.100 -0.011 0.000 0.803 131 G HN 0.455 nan 8.290 nan 0.000 0.572 132 I N 1.146 121.695 120.570 -0.035 0.000 2.053 132 I HA -0.266 3.904 4.170 -0.000 0.000 0.236 132 I C 3.209 179.298 176.117 -0.046 0.000 1.038 132 I CA 2.550 63.818 61.300 -0.054 0.000 1.304 132 I CB -0.427 37.532 38.000 -0.068 0.000 1.023 132 I HN 0.510 nan 8.210 nan 0.000 0.395 133 S N 0.270 115.954 115.700 -0.028 0.000 2.400 133 S HA -0.216 4.254 4.470 -0.000 0.000 0.232 133 S C 1.548 176.143 174.600 -0.009 0.000 1.025 133 S CA 1.603 59.791 58.200 -0.020 0.000 0.993 133 S CB -0.584 62.617 63.200 0.003 0.000 0.808 133 S HN 0.427 nan 8.310 nan 0.000 0.478 134 D N 2.066 122.484 120.400 0.030 0.000 2.224 134 D HA 0.131 4.771 4.640 -0.000 0.000 0.205 134 D C 2.217 178.569 176.300 0.086 0.000 0.965 134 D CA 1.162 55.231 54.000 0.115 0.000 0.852 134 D CB -0.439 40.447 40.800 0.143 0.000 0.947 134 D HN 0.605 nan 8.370 nan 0.000 0.494 135 A N 0.594 123.412 122.820 -0.002 0.000 1.929 135 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 135 A C 2.504 179.981 177.584 -0.178 0.000 1.176 135 A CA 0.858 52.854 52.037 -0.069 0.000 0.628 135 A CB -0.768 18.193 19.000 -0.065 0.000 0.816 135 A HN 0.298 nan 8.150 nan 0.000 0.444 136 C N -0.054 119.153 119.300 -0.155 0.000 2.453 136 C HA -0.089 4.371 4.460 -0.000 0.000 0.277 136 C C 2.646 177.505 174.990 -0.219 0.000 1.262 136 C CA 1.022 59.929 59.018 -0.185 0.000 1.718 136 C CB -1.443 26.221 27.740 -0.128 0.000 2.031 136 C HN 0.648 nan 8.230 nan 0.000 0.480 137 N N 1.305 119.855 118.700 -0.249 0.000 2.061 137 N HA -0.136 4.603 4.740 -0.000 0.000 0.193 137 N C 1.472 176.720 175.510 -0.438 0.000 1.030 137 N CA 1.147 53.896 53.050 -0.501 0.000 0.856 137 N CB -0.779 37.399 38.487 -0.515 0.000 1.023 137 N HN 0.362 nan 8.380 nan 0.000 0.424 138 L N 0.795 121.691 121.223 -0.546 0.000 2.056 138 L HA 0.005 4.345 4.340 -0.000 0.000 0.207 138 L C 2.042 178.782 176.870 -0.217 0.000 1.078 138 L CA 1.132 55.467 54.840 -0.842 0.000 0.749 138 L CB -0.943 40.607 42.059 -0.849 0.000 0.901 138 L HN 0.125 nan 8.230 nan 0.000 0.433 139 L N -0.208 120.852 121.223 -0.271 0.000 2.017 139 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 139 L C 2.488 179.332 176.870 -0.043 0.000 1.073 139 L CA 2.170 56.816 54.840 -0.323 0.000 0.745 139 L CB -0.861 40.839 42.059 -0.597 0.000 0.894 139 L HN 0.541 nan 8.230 nan 0.000 0.432 140 E N -1.535 118.637 120.200 -0.047 0.000 2.051 140 E HA -0.328 4.022 4.350 -0.000 0.000 0.192 140 E C 2.281 178.996 176.600 0.192 0.000 0.991 140 E CA 1.575 58.016 56.400 0.070 0.000 0.799 140 E CB -0.501 29.224 29.700 0.042 0.000 0.748 140 E HN 0.633 nan 8.360 nan 0.000 0.449 141 Y N 0.327 120.667 120.300 0.067 0.000 2.256 141 Y HA -0.280 4.270 4.550 -0.000 0.000 0.288 141 Y C 2.116 178.108 175.900 0.154 0.000 1.155 141 Y CA 1.800 59.987 58.100 0.144 0.000 1.203 141 Y CB -0.193 38.292 38.460 0.043 0.000 0.980 141 Y HN 0.204 nan 8.280 nan 0.000 0.530 142 C N -0.492 118.999 119.300 0.318 0.000 2.518 142 C HA 0.091 4.551 4.460 -0.000 0.000 0.283 142 C C 1.983 177.127 174.990 0.257 0.000 1.351 142 C CA 0.889 60.125 59.018 0.364 0.000 1.745 142 C CB -0.711 27.362 27.740 0.555 0.000 2.107 142 C HN 0.576 nan 8.230 nan 0.000 0.502 143 N N -1.532 117.315 118.700 0.245 0.000 2.397 143 N HA 0.055 4.795 4.740 -0.000 0.000 0.190 143 N C 0.411 176.005 175.510 0.139 0.000 1.099 143 N CA 0.130 53.302 53.050 0.204 0.000 0.876 143 N CB -0.239 38.394 38.487 0.243 0.000 1.143 143 N HN 0.529 nan 8.380 nan 0.000 0.468 144 H N 1.587 120.687 119.070 0.050 0.000 2.683 144 H HA 0.110 4.666 4.556 -0.000 0.000 0.339 144 H C -1.636 173.695 175.328 0.005 0.000 1.081 144 H CA -1.281 54.785 56.048 0.029 0.000 1.432 144 H CB 1.856 31.641 29.762 0.038 0.000 1.462 144 H HN -0.026 nan 8.280 nan 0.000 0.557 145 P HA 0.066 nan 4.420 nan 0.000 0.216 145 P C 0.083 177.333 177.300 -0.084 0.000 1.153 145 P CA 1.018 64.008 63.100 -0.184 0.000 0.844 145 P CB 0.548 32.113 31.700 -0.225 0.000 0.787 146 G N -4.346 104.441 108.800 -0.021 0.000 2.320 146 G HA2 0.392 4.352 3.960 -0.000 0.000 0.297 146 G HA3 0.392 4.352 3.960 -0.000 0.000 0.297 146 G C 0.068 175.055 174.900 0.145 0.000 1.344 146 G CA 0.285 45.430 45.100 0.074 0.000 0.851 146 G HN 0.305 nan 8.290 nan 0.000 0.567 147 G N -1.623 107.237 108.800 0.099 0.000 2.176 147 G HA2 0.169 4.129 3.960 -0.000 0.000 0.253 147 G HA3 0.169 4.129 3.960 -0.000 0.000 0.253 147 G C 0.696 175.653 174.900 0.095 0.000 0.979 147 G CA 1.533 46.687 45.100 0.090 0.000 0.641 147 G HN 2.399 nan 8.290 nan 0.000 0.530 148 S N -1.453 114.312 115.700 0.108 0.000 2.709 148 S HA 0.741 5.211 4.470 -0.000 0.000 0.302 148 S C 1.020 175.644 174.600 0.040 0.000 1.127 148 S CA 0.273 58.502 58.200 0.048 0.000 0.905 148 S CB 2.187 65.364 63.200 -0.039 0.000 1.151 148 S HN 0.297 nan 8.310 nan 0.000 0.510 149 K N -0.262 120.146 120.400 0.013 0.000 2.020 149 K HA -0.174 4.146 4.320 -0.000 0.000 0.212 149 K C 1.376 177.902 176.600 -0.124 0.000 1.050 149 K CA 1.993 58.221 56.287 -0.099 0.000 0.929 149 K CB -0.453 31.928 32.500 -0.199 0.000 0.714 149 K HN 0.749 nan 8.250 nan 0.000 0.443 150 Y N 0.291 120.675 120.300 0.140 0.000 2.397 150 Y HA -0.061 4.489 4.550 -0.000 0.000 0.292 150 Y C 2.707 178.715 175.900 0.181 0.000 1.115 150 Y CA 1.016 59.273 58.100 0.263 0.000 1.208 150 Y CB 0.041 38.710 38.460 0.349 0.000 1.046 150 Y HN 0.239 nan 8.280 nan 0.000 0.552 151 S N -0.531 115.305 115.700 0.226 0.000 2.402 151 S HA -0.166 4.303 4.470 -0.000 0.000 0.229 151 S C 1.456 176.062 174.600 0.011 0.000 1.021 151 S CA 1.442 59.705 58.200 0.106 0.000 0.974 151 S CB -0.359 62.981 63.200 0.234 0.000 0.800 151 S HN 0.301 nan 8.310 nan 0.000 0.484 152 D N 1.307 121.723 120.400 0.027 0.000 2.144 152 D HA 0.009 4.649 4.640 -0.000 0.000 0.200 152 D C 1.818 178.072 176.300 -0.077 0.000 0.978 152 D CA 0.932 54.918 54.000 -0.023 0.000 0.833 152 D CB -0.389 40.400 40.800 -0.018 0.000 0.961 152 D HN 0.388 nan 8.370 nan 0.000 0.470 153 M N 0.148 119.718 119.600 -0.050 0.000 2.082 153 M HA -0.206 4.274 4.480 -0.000 0.000 0.258 153 M C 2.233 178.353 176.300 -0.300 0.000 1.069 153 M CA 1.476 56.710 55.300 -0.111 0.000 1.102 153 M CB 0.105 32.843 32.600 0.230 0.000 1.336 153 M HN -0.136 nan 8.290 nan 0.000 0.404 154 R N 0.290 120.622 120.500 -0.280 0.000 2.096 154 R HA -0.148 4.191 4.340 -0.000 0.000 0.235 154 R C 1.918 178.118 176.300 -0.166 0.000 1.127 154 R CA 1.690 57.532 56.100 -0.431 0.000 0.968 154 R CB -0.449 29.333 30.300 -0.863 0.000 0.861 154 R HN 0.423 nan 8.270 nan 0.000 0.440 155 I N 1.110 121.590 120.570 -0.150 0.000 2.127 155 I HA -0.320 3.850 4.170 -0.000 0.000 0.241 155 I C 2.610 178.702 176.117 -0.041 0.000 1.075 155 I CA 1.572 62.826 61.300 -0.075 0.000 1.334 155 I CB -0.319 37.645 38.000 -0.060 0.000 1.040 155 I HN 0.181 nan 8.210 nan 0.000 0.405 156 K N 0.282 120.628 120.400 -0.091 0.000 2.281 156 K HA -0.217 4.103 4.320 -0.000 0.000 0.203 156 K C 1.606 178.233 176.600 0.045 0.000 1.046 156 K CA 1.612 57.862 56.287 -0.062 0.000 0.938 156 K CB -0.197 32.226 32.500 -0.128 0.000 0.737 156 K HN 0.549 nan 8.250 nan 0.000 0.458 157 H N -1.876 117.266 119.070 0.120 0.000 2.539 157 H HA 0.123 4.679 4.556 -0.000 0.000 0.267 157 H C 0.757 176.165 175.328 0.134 0.000 0.982 157 H CA 0.044 56.189 56.048 0.162 0.000 1.146 157 H CB 0.747 30.673 29.762 0.273 0.000 1.382 157 H HN 0.492 nan 8.280 nan 0.000 0.577 158 G N 0.740 109.652 108.800 0.187 0.000 2.134 158 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.209 158 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.209 158 G C -0.204 174.763 174.900 0.112 0.000 0.993 158 G CA 0.097 45.277 45.100 0.134 0.000 0.669 158 G HN 0.197 nan 8.290 nan 0.000 0.519 159 V N 1.665 121.628 119.914 0.081 0.000 2.305 159 V HA 0.381 4.501 4.120 -0.000 0.000 0.275 159 V C 1.402 177.463 176.094 -0.056 0.000 1.020 159 V CA -0.504 61.805 62.300 0.016 0.000 0.811 159 V CB 1.307 33.121 31.823 -0.014 0.000 1.031 159 V HN 0.198 nan 8.190 nan 0.000 0.439 160 K N 2.000 122.383 120.400 -0.029 0.000 1.973 160 K HA -0.028 4.292 4.320 -0.000 0.000 0.212 160 K C 0.865 177.424 176.600 -0.069 0.000 1.047 160 K CA 1.278 57.542 56.287 -0.039 0.000 0.937 160 K CB 0.312 32.803 32.500 -0.015 0.000 0.721 160 K HN 0.580 nan 8.250 nan 0.000 0.440 161 E N 1.742 121.903 120.200 -0.064 0.000 2.366 161 E HA 0.145 4.495 4.350 -0.000 0.000 0.266 161 E C -2.154 174.365 176.600 -0.135 0.000 1.051 161 E CA -2.201 54.156 56.400 -0.071 0.000 0.884 161 E CB 0.274 29.954 29.700 -0.034 0.000 1.006 161 E HN 0.238 nan 8.360 nan 0.000 0.417 162 P HA 0.012 nan 4.420 nan 0.000 0.269 162 P C 0.495 177.742 177.300 -0.088 0.000 1.215 162 P CA -0.021 63.004 63.100 -0.125 0.000 0.780 162 P CB 0.627 32.309 31.700 -0.029 0.000 0.898 163 H N 0.548 119.661 119.070 0.071 0.000 2.495 163 H HA -0.069 4.487 4.556 -0.000 0.000 0.287 163 H C 0.650 176.024 175.328 0.078 0.000 1.033 163 H CA 0.888 56.981 56.048 0.076 0.000 1.307 163 H CB -0.661 29.160 29.762 0.099 0.000 1.401 163 H HN 0.503 nan 8.280 nan 0.000 0.555 164 N N 0.723 119.546 118.700 0.206 0.000 2.650 164 N HA -0.205 4.535 4.740 -0.000 0.000 0.272 164 N C -0.893 174.732 175.510 0.192 0.000 1.058 164 N CA 0.102 53.262 53.050 0.184 0.000 0.765 164 N CB -1.662 36.895 38.487 0.116 0.000 0.902 164 N HN 0.294 nan 8.380 nan 0.000 0.551 165 I N 1.460 122.178 120.570 0.247 0.000 2.452 165 I HA -0.016 4.153 4.170 -0.000 0.000 0.287 165 I C 1.571 177.841 176.117 0.255 0.000 1.079 165 I CA -0.201 61.161 61.300 0.103 0.000 1.387 165 I CB 0.839 38.692 38.000 -0.245 0.000 1.404 165 I HN 0.317 nan 8.210 nan 0.000 0.522 166 K N 4.009 124.486 120.400 0.129 0.000 2.067 166 K HA 0.130 4.450 4.320 -0.000 0.000 0.203 166 K C -0.018 176.740 176.600 0.262 0.000 1.048 166 K CA 0.833 57.238 56.287 0.196 0.000 0.954 166 K CB 0.301 32.871 32.500 0.117 0.000 0.737 166 K HN 0.352 nan 8.250 nan 0.000 0.444 167 V N 0.965 120.947 119.914 0.113 0.000 2.513 167 V HA 0.284 4.404 4.120 -0.000 0.000 0.299 167 V C -1.450 174.675 176.094 0.052 0.000 1.035 167 V CA -0.725 61.667 62.300 0.153 0.000 0.889 167 V CB 1.189 33.027 31.823 0.025 0.000 0.988 167 V HN 0.216 nan 8.190 nan 0.000 0.440 168 W N 2.631 123.979 121.300 0.081 0.000 2.883 168 W HA 0.572 5.232 4.660 -0.000 0.000 0.335 168 W C -0.619 175.951 176.519 0.085 0.000 1.083 168 W CA -0.532 56.861 57.345 0.080 0.000 1.233 168 W CB 1.664 31.170 29.460 0.075 0.000 1.412 168 W HN 0.410 nan 8.180 nan 0.000 0.490 169 C N 3.832 123.296 119.300 0.273 0.000 2.285 169 C HA 0.392 4.852 4.460 -0.000 0.000 0.335 169 C C 0.755 175.892 174.990 0.244 0.000 1.267 169 C CA -0.705 58.441 59.018 0.213 0.000 1.762 169 C CB -0.733 27.082 27.740 0.124 0.000 2.365 169 C HN 0.469 nan 8.230 nan 0.000 0.527 170 L N 5.174 126.547 121.223 0.250 0.000 2.382 170 L HA 0.401 4.741 4.340 -0.000 0.000 0.259 170 L C 1.199 178.252 176.870 0.305 0.000 1.291 170 L CA 0.724 55.714 54.840 0.250 0.000 1.176 170 L CB -1.242 40.947 42.059 0.217 0.000 1.373 170 L HN 1.138 nan 8.230 nan 0.000 0.426 171 G N 2.171 111.106 108.800 0.225 0.000 2.725 171 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 171 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 171 G C -0.850 174.127 174.900 0.129 0.000 1.357 171 G CA -0.514 44.694 45.100 0.180 0.000 0.866 171 G HN 0.612 nan 8.290 nan 0.000 0.548 172 N N -0.386 118.359 118.700 0.074 0.000 2.269 172 N HA 0.689 5.429 4.740 -0.000 0.000 0.304 172 N C 0.383 175.869 175.510 -0.040 0.000 1.072 172 N CA 0.706 53.796 53.050 0.066 0.000 0.802 172 N CB 1.597 40.159 38.487 0.125 0.000 1.348 172 N HN 1.905 nan 8.380 nan 0.000 0.484 173 A N 3.242 126.009 122.820 -0.088 0.000 2.407 173 A HA -0.152 4.168 4.320 -0.000 0.000 0.303 173 A C 0.660 178.066 177.584 -0.296 0.000 0.910 173 A CA 0.931 52.802 52.037 -0.277 0.000 1.219 173 A CB -0.678 18.105 19.000 -0.362 0.000 0.726 173 A HN 0.877 nan 8.150 nan 0.000 0.375 174 M N 1.848 121.221 119.600 -0.378 0.000 2.475 174 M HA 0.064 4.544 4.480 -0.000 0.000 0.283 174 M C 0.826 176.928 176.300 -0.331 0.000 1.165 174 M CA 0.469 55.596 55.300 -0.289 0.000 0.976 174 M CB 0.251 32.761 32.600 -0.150 0.000 1.428 174 M HN 0.883 nan 8.290 nan 0.000 0.495 175 D N -1.184 118.828 120.400 -0.647 0.000 2.348 175 D HA 0.041 4.681 4.640 -0.000 0.000 0.211 175 D C 0.952 177.022 176.300 -0.384 0.000 0.998 175 D CA 0.150 53.822 54.000 -0.548 0.000 0.873 175 D CB -0.018 40.191 40.800 -0.985 0.000 0.925 175 D HN 0.181 nan 8.370 nan 0.000 0.524 176 G N 0.930 109.242 108.800 -0.814 0.000 2.415 176 G HA2 0.369 4.329 3.960 -0.000 0.000 0.269 176 G HA3 0.369 4.329 3.960 -0.000 0.000 0.269 176 G C -1.621 172.643 174.900 -1.060 0.000 1.209 176 G CA -1.271 42.928 45.100 -1.502 0.000 0.835 176 G HN -0.025 nan 8.290 nan 0.000 0.534 177 P HA 0.020 nan 4.420 nan 0.000 0.253 177 P C 0.497 177.676 177.300 -0.201 0.000 1.281 177 P CA 0.245 63.086 63.100 -0.432 0.000 0.792 177 P CB -0.081 31.485 31.700 -0.224 0.000 1.193 178 W N -1.256 119.973 121.300 -0.119 0.000 3.058 178 W HA 0.400 5.060 4.660 -0.000 0.000 0.306 178 W C 0.455 176.907 176.519 -0.113 0.000 1.188 178 W CA -0.376 56.902 57.345 -0.112 0.000 1.651 178 W CB -0.586 28.805 29.460 -0.115 0.000 1.051 178 W HN -0.180 nan 8.180 nan 0.000 0.592 179 Q N 1.960 121.542 119.800 -0.363 0.000 2.271 179 Q HA 0.350 4.690 4.340 -0.000 0.000 0.258 179 Q C -0.165 175.778 176.000 -0.094 0.000 0.936 179 Q CA -0.771 54.927 55.803 -0.175 0.000 0.909 179 Q CB 2.534 31.113 28.738 -0.265 0.000 1.253 179 Q HN 0.008 nan 8.270 nan 0.000 0.440 180 V N 4.294 124.184 119.914 -0.039 0.000 2.599 180 V HA 0.271 4.391 4.120 -0.000 0.000 0.300 180 V C 0.785 176.872 176.094 -0.011 0.000 1.034 180 V CA 1.838 64.130 62.300 -0.014 0.000 1.115 180 V CB 0.152 31.973 31.823 -0.002 0.000 0.934 180 V HN 1.074 nan 8.190 nan 0.000 0.485 181 G N 4.141 112.948 108.800 0.012 0.000 2.212 181 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.255 181 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.255 181 G C 0.232 175.142 174.900 0.015 0.000 1.062 181 G CA 0.445 45.553 45.100 0.013 0.000 0.815 181 G HN 1.756 nan 8.290 nan 0.000 0.497 182 H N 0.907 119.934 119.070 -0.072 0.000 2.964 182 H HA 0.346 4.902 4.556 -0.000 0.000 0.328 182 H C -0.035 175.288 175.328 -0.008 0.000 1.030 182 H CA 0.542 56.535 56.048 -0.091 0.000 1.445 182 H CB 0.583 30.255 29.762 -0.150 0.000 1.449 182 H HN 0.239 nan 8.280 nan 0.000 0.581 183 K N 3.707 123.805 120.400 -0.502 0.000 2.221 183 K HA 0.204 4.524 4.320 -0.000 0.000 0.243 183 K C 0.310 176.726 176.600 -0.305 0.000 0.968 183 K CA -0.812 55.290 56.287 -0.308 0.000 0.846 183 K CB 1.848 34.353 32.500 0.009 0.000 1.141 183 K HN 0.781 nan 8.250 nan 0.000 0.434 184 T N -2.129 112.339 114.554 -0.143 0.000 2.847 184 T HA 0.177 4.526 4.350 -0.000 0.000 0.279 184 T C 1.732 176.366 174.700 -0.110 0.000 0.984 184 T CA -0.684 61.415 62.100 -0.003 0.000 0.988 184 T CB 0.493 69.358 68.868 -0.005 0.000 1.040 184 T HN 0.692 nan 8.240 nan 0.000 0.528 185 M N 0.062 119.564 119.600 -0.163 0.000 2.213 185 M HA -0.063 4.417 4.480 -0.000 0.000 0.263 185 M C 1.095 177.177 176.300 -0.364 0.000 1.062 185 M CA 1.751 56.684 55.300 -0.612 0.000 1.105 185 M CB -0.689 31.728 32.600 -0.306 0.000 1.385 185 M HN 0.543 nan 8.290 nan 0.000 0.417 186 D N 0.922 121.224 120.400 -0.163 0.000 2.213 186 D HA -0.066 4.573 4.640 -0.000 0.000 0.205 186 D C 1.808 177.934 176.300 -0.289 0.000 0.961 186 D CA 1.119 55.035 54.000 -0.140 0.000 0.853 186 D CB -0.031 40.767 40.800 -0.004 0.000 0.967 186 D HN 0.608 nan 8.370 nan 0.000 0.496 187 E N 0.087 120.169 120.200 -0.197 0.000 2.047 187 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 187 E C 1.940 178.422 176.600 -0.198 0.000 0.987 187 E CA 0.756 57.051 56.400 -0.176 0.000 0.799 187 E CB -0.089 29.550 29.700 -0.102 0.000 0.752 187 E HN 0.272 nan 8.360 nan 0.000 0.449 188 Y N 0.877 120.991 120.300 -0.310 0.000 2.200 188 Y HA -0.070 4.480 4.550 -0.000 0.000 0.290 188 Y C 2.191 177.906 175.900 -0.307 0.000 1.137 188 Y CA 1.672 59.611 58.100 -0.270 0.000 1.163 188 Y CB -0.721 37.586 38.460 -0.254 0.000 0.988 188 Y HN -0.004 nan 8.280 nan 0.000 0.518 189 G N 0.868 109.330 108.800 -0.564 0.000 2.476 189 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 189 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 189 G C 1.831 176.322 174.900 -0.681 0.000 1.164 189 G CA 0.936 45.698 45.100 -0.562 0.000 0.768 189 G HN 0.249 nan 8.290 nan 0.000 0.560 190 R N -0.271 119.726 120.500 -0.837 0.000 2.075 190 R HA 0.025 4.365 4.340 -0.000 0.000 0.232 190 R C 2.507 178.568 176.300 -0.399 0.000 1.126 190 R CA 0.970 56.679 56.100 -0.651 0.000 0.963 190 R CB -0.882 29.076 30.300 -0.570 0.000 0.858 190 R HN 0.484 nan 8.270 nan 0.000 0.435 191 I N 0.949 121.294 120.570 -0.375 0.000 2.252 191 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 191 I C 2.139 178.079 176.117 -0.295 0.000 1.102 191 I CA 1.337 62.477 61.300 -0.268 0.000 1.385 191 I CB -0.313 37.588 38.000 -0.165 0.000 1.064 191 I HN 0.101 nan 8.210 nan 0.000 0.414 192 A N -0.049 122.478 122.820 -0.489 0.000 1.877 192 A HA -0.286 4.034 4.320 -0.000 0.000 0.216 192 A C 2.365 179.811 177.584 -0.231 0.000 1.186 192 A CA 1.982 53.770 52.037 -0.415 0.000 0.620 192 A CB -0.967 17.600 19.000 -0.722 0.000 0.822 192 A HN 0.614 nan 8.150 nan 0.000 0.443 193 E N -0.432 119.637 120.200 -0.219 0.000 2.033 193 E HA -0.269 4.081 4.350 -0.000 0.000 0.199 193 E C 1.822 178.298 176.600 -0.205 0.000 1.011 193 E CA 1.606 57.941 56.400 -0.108 0.000 0.815 193 E CB -0.161 29.515 29.700 -0.040 0.000 0.755 193 E HN 0.510 nan 8.360 nan 0.000 0.451 194 E N -0.110 119.962 120.200 -0.215 0.000 2.106 194 E HA -0.116 4.233 4.350 -0.000 0.000 0.192 194 E C 2.175 178.655 176.600 -0.199 0.000 0.984 194 E CA 1.435 57.705 56.400 -0.217 0.000 0.806 194 E CB -0.487 29.108 29.700 -0.174 0.000 0.750 194 E HN 0.328 nan 8.360 nan 0.000 0.458 195 T N 1.058 115.511 114.554 -0.167 0.000 2.812 195 T HA -0.032 4.317 4.350 -0.000 0.000 0.264 195 T C 1.949 176.567 174.700 -0.137 0.000 1.042 195 T CA 1.301 63.320 62.100 -0.134 0.000 1.140 195 T CB -0.181 68.629 68.868 -0.095 0.000 0.870 195 T HN 0.263 nan 8.240 nan 0.000 0.445 196 A N 1.805 124.553 122.820 -0.120 0.000 1.908 196 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 196 A C 2.311 179.817 177.584 -0.131 0.000 1.181 196 A CA 1.649 53.644 52.037 -0.070 0.000 0.627 196 A CB -0.577 18.440 19.000 0.028 0.000 0.818 196 A HN 0.371 nan 8.150 nan 0.000 0.445 197 R N -0.543 119.766 120.500 -0.318 0.000 2.073 197 R HA -0.097 4.243 4.340 -0.000 0.000 0.234 197 R C 2.362 178.520 176.300 -0.236 0.000 1.134 197 R CA 1.412 57.231 56.100 -0.469 0.000 0.952 197 R CB -0.378 29.496 30.300 -0.710 0.000 0.850 197 R HN 0.462 nan 8.270 nan 0.000 0.433 198 A N 0.818 123.519 122.820 -0.198 0.000 1.873 198 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 198 A C 2.232 179.734 177.584 -0.136 0.000 1.186 198 A CA 1.433 53.382 52.037 -0.146 0.000 0.616 198 A CB -0.443 18.477 19.000 -0.134 0.000 0.823 198 A HN 0.318 nan 8.150 nan 0.000 0.442 199 M N -0.498 119.006 119.600 -0.159 0.000 2.080 199 M HA -0.170 4.310 4.480 -0.000 0.000 0.260 199 M C 1.984 178.194 176.300 -0.150 0.000 1.068 199 M CA 1.604 56.785 55.300 -0.200 0.000 1.109 199 M CB -0.305 32.134 32.600 -0.268 0.000 1.342 199 M HN 0.256 nan 8.290 nan 0.000 0.405 200 K N -0.133 120.213 120.400 -0.089 0.000 2.360 200 K HA -0.071 4.249 4.320 -0.000 0.000 0.201 200 K C 1.732 178.321 176.600 -0.018 0.000 1.046 200 K CA 0.982 57.252 56.287 -0.028 0.000 0.945 200 K CB -0.116 32.409 32.500 0.042 0.000 0.750 200 K HN 0.482 nan 8.250 nan 0.000 0.464 201 M N -0.106 119.469 119.600 -0.041 0.000 2.349 201 M HA -0.062 4.417 4.480 -0.000 0.000 0.266 201 M C 1.924 178.210 176.300 -0.023 0.000 1.076 201 M CA 1.226 56.509 55.300 -0.028 0.000 1.126 201 M CB -0.053 32.521 32.600 -0.043 0.000 1.392 201 M HN 0.078 nan 8.290 nan 0.000 0.440 202 I N -0.878 119.665 120.570 -0.046 0.000 2.296 202 I HA -0.088 4.081 4.170 -0.000 0.000 0.242 202 I C 0.599 176.724 176.117 0.013 0.000 1.087 202 I CA 0.771 62.054 61.300 -0.028 0.000 1.393 202 I CB 0.211 38.166 38.000 -0.074 0.000 1.093 202 I HN 0.074 nan 8.210 nan 0.000 0.421 203 D N 0.297 120.686 120.400 -0.019 0.000 2.420 203 D HA 0.210 4.850 4.640 -0.000 0.000 0.255 203 D C -2.051 174.256 176.300 0.012 0.000 1.185 203 D CA -2.118 51.890 54.000 0.014 0.000 0.904 203 D CB 1.526 42.336 40.800 0.017 0.000 1.102 203 D HN -0.121 nan 8.370 nan 0.000 0.534 204 P HA -0.084 nan 4.420 nan 0.000 0.228 204 P C 1.198 178.530 177.300 0.053 0.000 1.151 204 P CA 0.721 63.843 63.100 0.038 0.000 0.770 204 P CB 0.278 32.001 31.700 0.038 0.000 0.786 205 S N -0.660 115.079 115.700 0.064 0.000 2.470 205 S HA -0.006 4.463 4.470 -0.000 0.000 0.225 205 S C 1.086 175.754 174.600 0.113 0.000 1.006 205 S CA -0.352 57.897 58.200 0.081 0.000 0.934 205 S CB -1.336 61.913 63.200 0.081 0.000 0.778 205 S HN 0.206 nan 8.310 nan 0.000 0.517 206 I N 0.058 120.703 120.570 0.125 0.000 2.993 206 I HA 0.361 4.531 4.170 -0.000 0.000 0.286 206 I C -0.270 175.965 176.117 0.196 0.000 1.215 206 I CA -0.376 61.042 61.300 0.197 0.000 1.393 206 I CB 0.360 38.464 38.000 0.172 0.000 1.371 206 I HN 0.080 nan 8.210 nan 0.000 0.602 207 E N 4.769 125.136 120.200 0.279 0.000 2.195 207 E HA 0.636 4.986 4.350 -0.000 0.000 0.271 207 E C -1.234 175.575 176.600 0.348 0.000 0.923 207 E CA -0.802 55.780 56.400 0.303 0.000 0.790 207 E CB 2.541 32.488 29.700 0.413 0.000 1.155 207 E HN 0.491 nan 8.360 nan 0.000 0.402 208 L N 1.940 123.347 121.223 0.307 0.000 2.346 208 L HA 0.530 4.870 4.340 -0.000 0.000 0.274 208 L C -0.747 176.326 176.870 0.338 0.000 1.007 208 L CA -1.157 53.856 54.840 0.289 0.000 0.818 208 L CB 1.817 43.985 42.059 0.181 0.000 1.284 208 L HN 0.237 nan 8.230 nan 0.000 0.424 209 V N 2.081 122.177 119.914 0.304 0.000 2.417 209 V HA 0.616 4.736 4.120 -0.000 0.000 0.291 209 V C 0.262 176.512 176.094 0.259 0.000 1.024 209 V CA -0.540 61.936 62.300 0.293 0.000 0.861 209 V CB 1.575 33.520 31.823 0.203 0.000 0.985 209 V HN 0.855 nan 8.190 nan 0.000 0.436 210 A N 3.908 126.881 122.820 0.256 0.000 2.309 210 A HA 0.488 4.808 4.320 -0.000 0.000 0.298 210 A C 0.130 177.927 177.584 0.354 0.000 1.165 210 A CA -0.336 51.888 52.037 0.310 0.000 0.821 210 A CB 0.398 19.541 19.000 0.239 0.000 1.102 210 A HN 0.874 nan 8.150 nan 0.000 0.500 211 C N 2.773 122.343 119.300 0.450 0.000 2.633 211 C HA 0.454 4.914 4.460 -0.000 0.000 0.415 211 C C 1.545 176.767 174.990 0.387 0.000 1.393 211 C CA 0.354 59.537 59.018 0.274 0.000 1.700 211 C CB -0.809 26.931 27.740 -0.001 0.000 2.541 211 C HN 0.983 nan 8.230 nan 0.000 0.603 212 G N 3.076 112.002 108.800 0.210 0.000 2.525 212 G HA2 0.425 4.385 3.960 -0.000 0.000 0.287 212 G HA3 0.425 4.385 3.960 -0.000 0.000 0.287 212 G C -0.106 174.702 174.900 -0.154 0.000 1.350 212 G CA -0.328 44.901 45.100 0.216 0.000 1.039 212 G HN 0.764 nan 8.290 nan 0.000 0.513 213 S N -0.878 114.729 115.700 -0.156 0.000 2.573 213 S HA 0.114 4.584 4.470 -0.000 0.000 0.277 213 S C 1.741 176.126 174.600 -0.358 0.000 1.346 213 S CA -0.190 57.776 58.200 -0.390 0.000 1.034 213 S CB 1.388 64.583 63.200 -0.008 0.000 0.879 213 S HN 0.535 nan 8.310 nan 0.000 0.528 214 S N 1.458 116.933 115.700 -0.375 0.000 2.382 214 S HA -0.036 4.434 4.470 -0.000 0.000 0.228 214 S C 0.940 175.495 174.600 -0.075 0.000 1.027 214 S CA 0.998 59.079 58.200 -0.199 0.000 0.991 214 S CB -0.159 63.108 63.200 0.110 0.000 0.823 214 S HN 0.911 nan 8.310 nan 0.000 0.469 215 S N -0.086 115.530 115.700 -0.139 0.000 2.615 215 S HA 0.409 4.879 4.470 -0.000 0.000 0.269 215 S C 0.050 174.354 174.600 -0.495 0.000 1.161 215 S CA -0.950 57.093 58.200 -0.261 0.000 0.817 215 S CB 1.555 64.663 63.200 -0.154 0.000 1.131 215 S HN 0.241 nan 8.310 nan 0.000 0.467 216 K N -0.303 119.571 120.400 -0.876 0.000 2.439 216 K HA 0.064 4.383 4.320 -0.000 0.000 0.197 216 K C -0.025 176.292 176.600 -0.472 0.000 1.041 216 K CA 1.049 56.641 56.287 -1.159 0.000 0.970 216 K CB -0.329 31.343 32.500 -1.380 0.000 0.773 216 K HN 0.488 nan 8.250 nan 0.000 0.479 217 D N 0.612 120.841 120.400 -0.286 0.000 2.348 217 D HA 0.030 4.669 4.640 -0.000 0.000 0.211 217 D C 0.342 176.623 176.300 -0.030 0.000 0.998 217 D CA 0.303 54.237 54.000 -0.111 0.000 0.873 217 D CB 0.152 40.895 40.800 -0.095 0.000 0.925 217 D HN 0.177 nan 8.370 nan 0.000 0.524 218 M N 2.225 121.805 119.600 -0.033 0.000 2.269 218 M HA 0.020 4.500 4.480 -0.000 0.000 0.350 218 M C -1.358 174.995 176.300 0.088 0.000 1.429 218 M CA -1.227 54.086 55.300 0.020 0.000 1.063 218 M CB 0.455 33.042 32.600 -0.021 0.000 1.841 218 M HN -0.183 nan 8.290 nan 0.000 0.455 219 P HA -0.085 nan 4.420 nan 0.000 0.226 219 P C 0.744 178.122 177.300 0.130 0.000 1.146 219 P CA 1.172 64.331 63.100 0.098 0.000 0.773 219 P CB -0.394 31.347 31.700 0.069 0.000 0.772 220 T N -4.662 109.981 114.554 0.148 0.000 3.144 220 T HA 0.126 4.476 4.350 -0.000 0.000 0.249 220 T C 0.220 175.075 174.700 0.259 0.000 1.089 220 T CA -0.501 61.717 62.100 0.196 0.000 0.989 220 T CB -0.814 68.197 68.868 0.238 0.000 0.992 220 T HN -0.091 nan 8.240 nan 0.000 0.540 221 F N 4.166 124.170 119.950 0.090 0.000 2.396 221 F HA 0.470 4.997 4.527 -0.000 0.000 0.343 221 F C -1.878 173.986 175.800 0.107 0.000 1.104 221 F CA -2.415 55.651 58.000 0.110 0.000 1.161 221 F CB 1.684 40.729 39.000 0.075 0.000 1.146 221 F HN -0.121 nan 8.300 nan 0.000 0.522 222 P HA 0.047 nan 4.420 nan 0.000 0.272 222 P C 0.700 177.905 177.300 -0.159 0.000 1.408 222 P CA 0.206 62.842 63.100 -0.774 0.000 0.996 222 P CB 0.338 31.369 31.700 -1.116 0.000 1.481 223 Q N -0.492 119.291 119.800 -0.029 0.000 2.135 223 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 223 Q C 1.673 177.765 176.000 0.154 0.000 0.981 223 Q CA 1.408 57.244 55.803 0.056 0.000 0.856 223 Q CB -0.407 28.368 28.738 0.062 0.000 0.902 223 Q HN 0.266 nan 8.270 nan 0.000 0.425 224 W N 1.440 122.768 121.300 0.046 0.000 2.304 224 W HA -0.289 4.371 4.660 -0.000 0.000 0.315 224 W C 1.235 177.822 176.519 0.113 0.000 1.233 224 W CA 2.282 59.684 57.345 0.095 0.000 1.261 224 W CB -0.159 29.366 29.460 0.108 0.000 1.150 224 W HN 0.266 nan 8.180 nan 0.000 0.494 225 E N 0.303 120.725 120.200 0.371 0.000 2.047 225 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 225 E C 2.452 179.138 176.600 0.143 0.000 0.987 225 E CA 2.023 58.580 56.400 0.262 0.000 0.799 225 E CB -0.984 28.843 29.700 0.211 0.000 0.752 225 E HN 0.231 nan 8.360 nan 0.000 0.449 226 A N 0.309 123.198 122.820 0.114 0.000 1.883 226 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 226 A C 2.373 179.996 177.584 0.065 0.000 1.186 226 A CA 2.224 54.336 52.037 0.124 0.000 0.624 226 A CB -1.111 17.984 19.000 0.159 0.000 0.822 226 A HN 0.277 nan 8.150 nan 0.000 0.444 227 T N -0.309 114.266 114.554 0.034 0.000 2.614 227 T HA -0.123 4.226 4.350 -0.000 0.000 0.263 227 T C 1.928 176.652 174.700 0.040 0.000 1.055 227 T CA 1.688 63.786 62.100 -0.003 0.000 1.162 227 T CB -0.650 68.215 68.868 -0.006 0.000 0.863 227 T HN 0.138 nan 8.240 nan 0.000 0.414 228 V N 1.812 121.715 119.914 -0.018 0.000 2.250 228 V HA -0.203 3.917 4.120 -0.000 0.000 0.250 228 V C 2.556 178.706 176.094 0.093 0.000 1.060 228 V CA 1.740 64.043 62.300 0.006 0.000 1.030 228 V CB -0.806 30.987 31.823 -0.050 0.000 0.643 228 V HN 0.429 nan 8.190 nan 0.000 0.445 229 L N -0.274 121.007 121.223 0.098 0.000 2.083 229 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 229 L C 2.444 179.397 176.870 0.138 0.000 1.083 229 L CA 1.734 56.661 54.840 0.144 0.000 0.752 229 L CB -0.723 41.447 42.059 0.185 0.000 0.899 229 L HN 0.375 nan 8.230 nan 0.000 0.433 230 D N -0.639 119.765 120.400 0.008 0.000 2.182 230 D HA -0.212 4.428 4.640 -0.000 0.000 0.201 230 D C 1.972 178.169 176.300 -0.171 0.000 0.986 230 D CA 1.523 55.435 54.000 -0.147 0.000 0.847 230 D CB 0.120 40.757 40.800 -0.272 0.000 0.942 230 D HN 0.268 nan 8.370 nan 0.000 0.467 231 Y N 0.197 120.485 120.300 -0.020 0.000 2.177 231 Y HA 0.192 4.742 4.550 -0.000 0.000 0.291 231 Y C 2.382 178.310 175.900 0.047 0.000 1.117 231 Y CA 1.189 59.279 58.100 -0.018 0.000 1.114 231 Y CB -0.513 37.899 38.460 -0.080 0.000 1.017 231 Y HN -0.038 nan 8.280 nan 0.000 0.505 232 A N -1.686 121.265 122.820 0.219 0.000 2.251 232 A HA -0.029 4.291 4.320 -0.000 0.000 0.209 232 A C 1.654 179.334 177.584 0.160 0.000 1.187 232 A CA -0.099 52.052 52.037 0.191 0.000 0.823 232 A CB -1.122 17.925 19.000 0.078 0.000 0.846 232 A HN 0.567 nan 8.150 nan 0.000 0.486 233 Y N 1.341 121.638 120.300 -0.004 0.000 2.062 233 Y HA -0.316 4.234 4.550 -0.000 0.000 0.273 233 Y C 1.392 177.199 175.900 -0.156 0.000 1.206 233 Y CA 2.554 60.606 58.100 -0.080 0.000 1.125 233 Y CB 0.090 38.480 38.460 -0.117 0.000 0.951 233 Y HN 0.375 nan 8.280 nan 0.000 0.501 234 D N -1.813 118.524 120.400 -0.105 0.000 2.363 234 D HA -0.074 4.566 4.640 -0.000 0.000 0.226 234 D C 0.323 176.202 176.300 -0.702 0.000 1.020 234 D CA 0.823 54.569 54.000 -0.423 0.000 0.892 234 D CB -0.076 40.388 40.800 -0.561 0.000 0.900 234 D HN 0.518 nan 8.370 nan 0.000 0.531 235 Y N -0.825 119.465 120.300 -0.016 0.000 2.499 235 Y HA 0.117 4.667 4.550 -0.000 0.000 0.253 235 Y C 0.694 176.573 175.900 -0.035 0.000 1.105 235 Y CA -0.529 57.556 58.100 -0.025 0.000 1.240 235 Y CB 0.573 39.019 38.460 -0.022 0.000 1.289 235 Y HN -0.228 nan 8.280 nan 0.000 0.534 236 V N -2.929 116.999 119.914 0.023 0.000 2.919 236 V HA 0.608 4.728 4.120 -0.000 0.000 0.316 236 V C -0.640 175.387 176.094 -0.112 0.000 1.077 236 V CA -0.587 61.717 62.300 0.007 0.000 0.977 236 V CB 2.301 34.142 31.823 0.030 0.000 1.039 236 V HN 0.047 nan 8.190 nan 0.000 0.441 237 D N -0.265 120.090 120.400 -0.076 0.000 2.479 237 D HA 0.274 4.914 4.640 -0.000 0.000 0.221 237 D C -0.871 175.118 176.300 -0.520 0.000 1.104 237 D CA 0.509 54.324 54.000 -0.309 0.000 0.849 237 D CB 0.401 41.013 40.800 -0.313 0.000 1.072 237 D HN 0.632 nan 8.370 nan 0.000 0.502 238 Y N 0.106 120.431 120.300 0.042 0.000 2.492 238 Y HA 0.489 5.038 4.550 -0.000 0.000 0.346 238 Y C -0.797 175.138 175.900 0.059 0.000 0.997 238 Y CA -1.386 56.755 58.100 0.069 0.000 1.025 238 Y CB 1.694 40.219 38.460 0.108 0.000 1.263 238 Y HN -0.234 nan 8.280 nan 0.000 0.454 239 I N 2.154 122.844 120.570 0.201 0.000 2.577 239 I HA 0.624 4.794 4.170 -0.000 0.000 0.305 239 I C -0.126 176.087 176.117 0.161 0.000 0.986 239 I CA -0.143 61.262 61.300 0.174 0.000 1.189 239 I CB 1.413 39.490 38.000 0.128 0.000 1.355 239 I HN 0.655 nan 8.210 nan 0.000 0.476 240 S N 6.503 122.291 115.700 0.147 0.000 2.621 240 S HA 0.884 5.354 4.470 -0.000 0.000 0.302 240 S C -1.029 173.578 174.600 0.011 0.000 1.093 240 S CA -0.665 57.591 58.200 0.094 0.000 1.017 240 S CB 1.457 64.757 63.200 0.166 0.000 1.077 240 S HN 0.420 nan 8.310 nan 0.000 0.517 241 L N 1.886 123.026 121.223 -0.138 0.000 2.401 241 L HA 0.548 4.888 4.340 -0.000 0.000 0.266 241 L C -0.439 176.379 176.870 -0.086 0.000 0.991 241 L CA -0.467 54.179 54.840 -0.322 0.000 0.818 241 L CB 2.027 43.357 42.059 -1.215 0.000 1.321 241 L HN 0.820 nan 8.230 nan 0.000 0.413 242 H N 1.810 120.822 119.070 -0.097 0.000 2.547 242 H HA 0.609 5.165 4.556 -0.000 0.000 0.342 242 H C -1.203 174.148 175.328 0.038 0.000 1.048 242 H CA -0.839 55.212 56.048 0.004 0.000 1.204 242 H CB 2.675 32.455 29.762 0.030 0.000 1.493 242 H HN 0.397 nan 8.280 nan 0.000 0.511 243 Q N 3.010 122.923 119.800 0.189 0.000 2.263 243 Q HA 0.303 4.643 4.340 -0.000 0.000 0.266 243 Q C -2.073 173.718 176.000 -0.348 0.000 1.002 243 Q CA -0.626 55.152 55.803 -0.042 0.000 0.790 243 Q CB 1.155 30.047 28.738 0.256 0.000 1.272 243 Q HN 0.490 nan 8.270 nan 0.000 0.435 244 Y N 2.204 122.397 120.300 -0.179 0.000 2.524 244 Y HA 0.671 5.221 4.550 -0.000 0.000 0.344 244 Y C -0.983 174.704 175.900 -0.354 0.000 1.012 244 Y CA -0.670 57.377 58.100 -0.090 0.000 1.068 244 Y CB 1.690 40.230 38.460 0.133 0.000 1.249 244 Y HN 0.529 nan 8.280 nan 0.000 0.468 245 Y N -0.193 120.352 120.300 0.409 0.000 2.545 245 Y HA 0.794 5.344 4.550 -0.000 0.000 0.348 245 Y C 0.348 176.451 175.900 0.338 0.000 1.002 245 Y CA -1.517 56.754 58.100 0.285 0.000 1.039 245 Y CB 2.441 41.013 38.460 0.186 0.000 1.271 245 Y HN 0.675 nan 8.280 nan 0.000 0.467 246 G N 0.426 109.438 108.800 0.353 0.000 2.695 246 G HA2 0.365 4.325 3.960 -0.000 0.000 0.290 246 G HA3 0.365 4.325 3.960 -0.000 0.000 0.290 246 G C -1.276 173.259 174.900 -0.608 0.000 1.410 246 G CA -0.821 44.125 45.100 -0.256 0.000 0.844 246 G HN 0.455 nan 8.290 nan 0.000 0.478 247 N N -0.814 116.865 118.700 -1.702 0.000 2.517 247 N HA 0.153 4.893 4.740 -0.000 0.000 0.285 247 N C 1.245 176.393 175.510 -0.603 0.000 1.528 247 N CA -0.364 52.028 53.050 -1.097 0.000 0.892 247 N CB 0.695 38.269 38.487 -1.522 0.000 1.356 247 N HN 0.371 nan 8.380 nan 0.000 0.495 248 K N 0.438 120.604 120.400 -0.390 0.000 2.113 248 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 248 K C 1.183 177.734 176.600 -0.083 0.000 1.047 248 K CA 1.673 57.887 56.287 -0.121 0.000 0.928 248 K CB 0.099 32.561 32.500 -0.064 0.000 0.716 248 K HN 0.526 nan 8.250 nan 0.000 0.446 249 E N -0.060 120.084 120.200 -0.093 0.000 2.516 249 E HA -0.087 4.263 4.350 -0.000 0.000 0.199 249 E C 0.193 176.773 176.600 -0.032 0.000 1.069 249 E CA 0.390 56.765 56.400 -0.041 0.000 0.876 249 E CB -0.121 29.570 29.700 -0.015 0.000 0.843 249 E HN 0.147 nan 8.360 nan 0.000 0.530 250 N N 0.851 119.510 118.700 -0.069 0.000 2.857 250 N HA -0.160 4.580 4.740 -0.000 0.000 0.242 250 N C -0.831 174.673 175.510 -0.010 0.000 0.983 250 N CA 1.406 54.431 53.050 -0.041 0.000 0.934 250 N CB -1.247 37.242 38.487 0.003 0.000 1.115 250 N HN 0.325 nan 8.380 nan 0.000 0.593 251 D N 0.641 121.042 120.400 0.002 0.000 2.551 251 D HA 0.184 4.823 4.640 -0.000 0.000 0.223 251 D C 0.928 177.286 176.300 0.097 0.000 1.144 251 D CA 0.189 54.222 54.000 0.056 0.000 1.025 251 D CB 0.157 40.999 40.800 0.070 0.000 1.085 251 D HN 0.176 nan 8.370 nan 0.000 0.506 252 T N 1.141 115.750 114.554 0.093 0.000 2.665 252 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 252 T C 1.861 176.657 174.700 0.160 0.000 1.035 252 T CA 1.645 63.836 62.100 0.152 0.000 1.151 252 T CB 0.102 69.041 68.868 0.119 0.000 0.862 252 T HN 0.497 nan 8.240 nan 0.000 0.438 253 A N 1.414 124.286 122.820 0.088 0.000 1.883 253 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 253 A C 2.125 179.757 177.584 0.080 0.000 1.186 253 A CA 2.220 54.288 52.037 0.052 0.000 0.624 253 A CB -0.926 18.085 19.000 0.018 0.000 0.822 253 A HN 0.540 nan 8.150 nan 0.000 0.444 254 D N -1.855 118.604 120.400 0.099 0.000 2.178 254 D HA -0.130 4.510 4.640 -0.000 0.000 0.202 254 D C 1.573 177.879 176.300 0.010 0.000 0.974 254 D CA 1.111 55.157 54.000 0.076 0.000 0.841 254 D CB -0.210 40.679 40.800 0.149 0.000 0.953 254 D HN 0.364 nan 8.370 nan 0.000 0.478 255 F N 0.739 120.640 119.950 -0.082 0.000 2.186 255 F HA 0.009 4.536 4.527 -0.000 0.000 0.299 255 F C 1.636 177.335 175.800 -0.168 0.000 1.090 255 F CA 1.146 59.074 58.000 -0.120 0.000 1.307 255 F CB -0.171 38.778 39.000 -0.085 0.000 1.019 255 F HN -0.015 nan 8.300 nan 0.000 0.489 256 L N -0.147 120.950 121.223 -0.209 0.000 2.478 256 L HA 0.019 4.359 4.340 -0.000 0.000 0.223 256 L C 2.347 179.035 176.870 -0.304 0.000 1.140 256 L CA 0.722 55.385 54.840 -0.294 0.000 0.842 256 L CB -0.984 41.019 42.059 -0.093 0.000 0.953 256 L HN 0.234 nan 8.230 nan 0.000 0.452 257 A N -0.239 122.373 122.820 -0.347 0.000 2.238 257 A HA -0.035 4.285 4.320 -0.000 0.000 0.208 257 A C 1.989 179.190 177.584 -0.639 0.000 1.177 257 A CA 0.392 52.137 52.037 -0.487 0.000 0.804 257 A CB -0.187 18.432 19.000 -0.635 0.000 0.823 257 A HN 0.271 nan 8.150 nan 0.000 0.482 258 K N 0.555 120.578 120.400 -0.629 0.000 2.486 258 K HA -0.051 4.269 4.320 -0.000 0.000 0.194 258 K C 1.912 178.148 176.600 -0.606 0.000 1.033 258 K CA 1.012 56.890 56.287 -0.682 0.000 1.004 258 K CB -0.004 31.872 32.500 -1.040 0.000 0.798 258 K HN 0.625 nan 8.250 nan 0.000 0.495 259 S N 0.895 116.345 115.700 -0.417 0.000 2.453 259 S HA -0.112 4.358 4.470 -0.000 0.000 0.231 259 S C 1.302 175.863 174.600 -0.065 0.000 1.005 259 S CA 0.963 59.046 58.200 -0.195 0.000 0.949 259 S CB -0.028 63.078 63.200 -0.156 0.000 0.774 259 S HN 0.125 nan 8.310 nan 0.000 0.510 260 D N 2.154 122.506 120.400 -0.080 0.000 2.144 260 D HA -0.037 4.603 4.640 -0.000 0.000 0.200 260 D C 1.442 177.799 176.300 0.095 0.000 0.978 260 D CA 1.171 55.180 54.000 0.015 0.000 0.833 260 D CB -0.472 40.339 40.800 0.018 0.000 0.961 260 D HN 0.385 nan 8.370 nan 0.000 0.470 261 D N -0.065 120.402 120.400 0.112 0.000 2.117 261 D HA -0.108 4.531 4.640 -0.000 0.000 0.197 261 D C 2.082 178.544 176.300 0.270 0.000 0.987 261 D CA 0.281 54.401 54.000 0.200 0.000 0.829 261 D CB -0.314 40.632 40.800 0.242 0.000 0.961 261 D HN 0.121 nan 8.370 nan 0.000 0.460 262 L N 0.961 122.363 121.223 0.297 0.000 2.046 262 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 262 L C 1.734 178.759 176.870 0.258 0.000 1.077 262 L CA 1.810 56.875 54.840 0.374 0.000 0.747 262 L CB -0.446 41.791 42.059 0.296 0.000 0.896 262 L HN -0.039 nan 8.230 nan 0.000 0.432 263 D N -0.724 119.770 120.400 0.156 0.000 2.104 263 D HA -0.222 4.418 4.640 -0.000 0.000 0.194 263 D C 1.523 177.876 176.300 0.089 0.000 0.994 263 D CA 1.614 55.679 54.000 0.108 0.000 0.830 263 D CB 0.126 41.018 40.800 0.153 0.000 0.959 263 D HN 0.418 nan 8.370 nan 0.000 0.452 264 D N -0.167 120.324 120.400 0.152 0.000 2.123 264 D HA -0.168 4.472 4.640 -0.000 0.000 0.196 264 D C 1.807 178.244 176.300 0.229 0.000 0.992 264 D CA 0.477 54.577 54.000 0.166 0.000 0.833 264 D CB -0.632 40.271 40.800 0.172 0.000 0.954 264 D HN 0.260 nan 8.370 nan 0.000 0.455 265 F N 1.368 121.380 119.950 0.102 0.000 2.102 265 F HA -0.114 4.413 4.527 -0.000 0.000 0.298 265 F C 2.124 177.991 175.800 0.113 0.000 1.105 265 F CA 0.862 58.932 58.000 0.117 0.000 1.239 265 F CB -0.646 38.406 39.000 0.087 0.000 0.991 265 F HN -0.124 nan 8.300 nan 0.000 0.474 266 I N 0.370 120.864 120.570 -0.126 0.000 2.127 266 I HA -0.352 3.818 4.170 -0.000 0.000 0.241 266 I C 2.672 178.663 176.117 -0.210 0.000 1.075 266 I CA 1.650 62.777 61.300 -0.288 0.000 1.334 266 I CB -0.545 37.237 38.000 -0.362 0.000 1.040 266 I HN 0.043 nan 8.210 nan 0.000 0.405 267 R N 0.086 120.495 120.500 -0.151 0.000 2.103 267 R HA -0.181 4.159 4.340 -0.000 0.000 0.242 267 R C 2.524 178.834 176.300 0.017 0.000 1.142 267 R CA 1.825 57.901 56.100 -0.040 0.000 0.960 267 R CB -0.532 29.787 30.300 0.031 0.000 0.858 267 R HN 0.296 nan 8.270 nan 0.000 0.439 268 S N 0.111 115.855 115.700 0.074 0.000 2.356 268 S HA -0.105 4.365 4.470 -0.000 0.000 0.223 268 S C 2.046 176.679 174.600 0.055 0.000 1.032 268 S CA 1.280 59.548 58.200 0.114 0.000 1.005 268 S CB -0.062 63.322 63.200 0.307 0.000 0.867 268 S HN 0.101 nan 8.310 nan 0.000 0.449 269 V N 1.823 121.760 119.914 0.039 0.000 2.358 269 V HA -0.135 3.984 4.120 -0.000 0.000 0.246 269 V C 2.015 178.109 176.094 -0.001 0.000 1.047 269 V CA 1.410 63.713 62.300 0.005 0.000 1.035 269 V CB -0.633 31.137 31.823 -0.088 0.000 0.658 269 V HN 0.436 nan 8.190 nan 0.000 0.452 270 I N 0.587 121.149 120.570 -0.013 0.000 2.127 270 I HA -0.286 3.884 4.170 -0.000 0.000 0.241 270 I C 2.743 178.879 176.117 0.031 0.000 1.075 270 I CA 1.655 62.963 61.300 0.012 0.000 1.334 270 I CB -0.708 37.306 38.000 0.022 0.000 1.040 270 I HN 0.290 nan 8.210 nan 0.000 0.405 271 A N 0.576 123.415 122.820 0.032 0.000 1.884 271 A HA -0.285 4.034 4.320 -0.000 0.000 0.219 271 A C 2.384 180.006 177.584 0.065 0.000 1.197 271 A CA 2.893 54.954 52.037 0.040 0.000 0.637 271 A CB -1.391 17.621 19.000 0.021 0.000 0.827 271 A HN 0.455 nan 8.150 nan 0.000 0.450 272 T N -0.762 113.818 114.554 0.043 0.000 2.759 272 T HA -0.221 4.129 4.350 -0.000 0.000 0.269 272 T C 1.886 176.674 174.700 0.147 0.000 1.042 272 T CA 1.568 63.718 62.100 0.082 0.000 1.140 272 T CB -0.810 68.064 68.868 0.011 0.000 0.864 272 T HN 0.598 nan 8.240 nan 0.000 0.455 273 C N 1.584 120.942 119.300 0.096 0.000 2.453 273 C HA -0.060 4.400 4.460 -0.000 0.000 0.277 273 C C 2.645 177.697 174.990 0.103 0.000 1.262 273 C CA 0.380 59.458 59.018 0.101 0.000 1.718 273 C CB -0.950 26.814 27.740 0.040 0.000 2.031 273 C HN 0.544 nan 8.230 nan 0.000 0.480 274 D N -0.640 119.806 120.400 0.077 0.000 2.178 274 D HA -0.108 4.532 4.640 -0.000 0.000 0.202 274 D C 1.676 178.005 176.300 0.049 0.000 0.974 274 D CA 1.038 55.068 54.000 0.050 0.000 0.841 274 D CB -0.495 40.332 40.800 0.045 0.000 0.953 274 D HN 0.675 nan 8.370 nan 0.000 0.478 275 Y N 1.515 121.798 120.300 -0.029 0.000 2.145 275 Y HA -0.191 4.359 4.550 -0.000 0.000 0.286 275 Y C 1.974 177.828 175.900 -0.077 0.000 1.145 275 Y CA 1.218 59.289 58.100 -0.048 0.000 1.148 275 Y CB -0.323 38.111 38.460 -0.042 0.000 0.981 275 Y HN -0.160 nan 8.280 nan 0.000 0.507 276 I N 1.290 121.660 120.570 -0.333 0.000 2.286 276 I HA -0.282 3.887 4.170 -0.000 0.000 0.248 276 I C 2.447 178.262 176.117 -0.503 0.000 1.115 276 I CA 1.595 62.624 61.300 -0.453 0.000 1.392 276 I CB -1.366 36.551 38.000 -0.137 0.000 1.065 276 I HN 0.342 nan 8.210 nan 0.000 0.418 277 K N 1.176 121.376 120.400 -0.334 0.000 2.020 277 K HA -0.225 4.095 4.320 -0.000 0.000 0.212 277 K C 2.207 178.612 176.600 -0.326 0.000 1.050 277 K CA 1.993 58.063 56.287 -0.362 0.000 0.929 277 K CB -0.066 32.383 32.500 -0.084 0.000 0.714 277 K HN 0.246 nan 8.250 nan 0.000 0.443 278 A N 1.419 124.096 122.820 -0.239 0.000 1.908 278 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 278 A C 2.072 179.503 177.584 -0.255 0.000 1.181 278 A CA 2.021 53.941 52.037 -0.196 0.000 0.627 278 A CB -0.550 18.375 19.000 -0.124 0.000 0.818 278 A HN 0.421 nan 8.150 nan 0.000 0.445 279 K N -0.782 119.392 120.400 -0.376 0.000 2.097 279 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 279 K C 1.526 177.928 176.600 -0.330 0.000 1.049 279 K CA 1.381 57.441 56.287 -0.379 0.000 0.933 279 K CB -0.002 32.173 32.500 -0.542 0.000 0.717 279 K HN 0.200 nan 8.250 nan 0.000 0.442 280 K N 0.412 120.570 120.400 -0.403 0.000 2.400 280 K HA 0.037 4.357 4.320 -0.000 0.000 0.194 280 K C -0.013 176.422 176.600 -0.275 0.000 1.033 280 K CA 0.247 56.305 56.287 -0.381 0.000 1.021 280 K CB 0.316 32.454 32.500 -0.602 0.000 0.808 280 K HN 0.073 nan 8.250 nan 0.000 0.505 281 R N 0.576 120.932 120.500 -0.240 0.000 3.264 281 R HA -0.130 4.210 4.340 -0.000 0.000 0.251 281 R C -0.308 175.900 176.300 -0.152 0.000 0.971 281 R CA 0.577 56.578 56.100 -0.166 0.000 0.658 281 R CB -2.528 27.698 30.300 -0.125 0.000 1.095 281 R HN 0.035 nan 8.270 nan 0.000 0.443 282 S N -0.494 115.095 115.700 -0.185 0.000 2.489 282 S HA 0.360 4.830 4.470 -0.000 0.000 0.291 282 S C 1.163 175.730 174.600 -0.055 0.000 1.151 282 S CA -0.992 57.134 58.200 -0.122 0.000 1.082 282 S CB 0.971 64.078 63.200 -0.156 0.000 1.019 282 S HN 0.251 nan 8.310 nan 0.000 0.492 283 K N 2.499 122.883 120.400 -0.027 0.000 2.155 283 K HA 0.001 4.321 4.320 -0.000 0.000 0.203 283 K C 0.699 177.297 176.600 -0.003 0.000 1.052 283 K CA 0.645 56.922 56.287 -0.016 0.000 0.948 283 K CB -0.165 32.327 32.500 -0.013 0.000 0.728 283 K HN 0.515 nan 8.250 nan 0.000 0.448 284 K N 2.332 122.744 120.400 0.020 0.000 2.298 284 K HA -0.005 4.315 4.320 -0.000 0.000 0.280 284 K C -0.755 175.822 176.600 -0.039 0.000 1.032 284 K CA -0.068 56.212 56.287 -0.012 0.000 0.958 284 K CB 0.662 33.150 32.500 -0.021 0.000 0.978 284 K HN -0.117 nan 8.250 nan 0.000 0.472 285 D N 4.242 124.518 120.400 -0.206 0.000 2.198 285 D HA 0.184 4.824 4.640 -0.000 0.000 0.245 285 D C 0.237 176.123 176.300 -0.688 0.000 1.079 285 D CA -0.367 53.411 54.000 -0.370 0.000 0.854 285 D CB 0.987 41.518 40.800 -0.449 0.000 1.148 285 D HN 0.358 nan 8.370 nan 0.000 0.456 286 I N 2.557 122.807 120.570 -0.534 0.000 2.529 286 I HA 0.055 4.224 4.170 -0.000 0.000 0.284 286 I C 0.194 175.976 176.117 -0.559 0.000 1.082 286 I CA -0.099 60.868 61.300 -0.555 0.000 1.406 286 I CB -0.304 37.462 38.000 -0.390 0.000 1.405 286 I HN 0.211 nan 8.210 nan 0.000 0.548 287 Y N 5.258 125.440 120.300 -0.197 0.000 2.488 287 Y HA 0.446 4.996 4.550 -0.000 0.000 0.325 287 Y C 0.042 176.030 175.900 0.147 0.000 1.204 287 Y CA -1.027 57.052 58.100 -0.036 0.000 1.229 287 Y CB 0.893 39.324 38.460 -0.047 0.000 1.274 287 Y HN 0.250 nan 8.280 nan 0.000 0.493 288 L N 1.387 122.822 121.223 0.354 0.000 2.276 288 L HA 0.337 4.677 4.340 -0.000 0.000 0.286 288 L C 0.175 177.202 176.870 0.261 0.000 1.061 288 L CA 0.004 54.985 54.840 0.235 0.000 0.807 288 L CB 1.379 43.509 42.059 0.120 0.000 1.177 288 L HN 0.581 nan 8.230 nan 0.000 0.429 289 S N 4.006 119.819 115.700 0.189 0.000 2.512 289 S HA 0.324 4.793 4.470 -0.000 0.000 0.291 289 S C -0.222 174.431 174.600 0.088 0.000 1.151 289 S CA -0.513 57.734 58.200 0.078 0.000 1.120 289 S CB -0.329 62.858 63.200 -0.022 0.000 1.029 289 S HN 0.341 nan 8.310 nan 0.000 0.485 290 F N 4.813 124.784 119.950 0.034 0.000 2.678 290 F HA 0.194 4.721 4.527 -0.000 0.000 0.358 290 F C 0.962 176.815 175.800 0.088 0.000 1.256 290 F CA -1.126 56.912 58.000 0.062 0.000 1.278 290 F CB -0.009 39.002 39.000 0.018 0.000 1.681 290 F HN 0.661 nan 8.300 nan 0.000 0.661 291 D N -0.073 120.410 120.400 0.138 0.000 2.336 291 D HA -0.031 4.609 4.640 -0.000 0.000 0.229 291 D C -0.227 175.954 176.300 -0.198 0.000 1.061 291 D CA 0.390 54.374 54.000 -0.027 0.000 0.875 291 D CB -0.199 40.524 40.800 -0.128 0.000 0.904 291 D HN 0.447 nan 8.370 nan 0.000 0.525 292 E N 0.221 120.376 120.200 -0.075 0.000 2.307 292 E HA 0.337 4.687 4.350 -0.000 0.000 0.280 292 E C -1.368 175.317 176.600 0.142 0.000 0.900 292 E CA -0.903 55.405 56.400 -0.154 0.000 0.790 292 E CB 1.787 31.154 29.700 -0.554 0.000 1.261 292 E HN 0.316 nan 8.360 nan 0.000 0.405 293 W N 3.156 124.398 121.300 -0.097 0.000 3.707 293 W HA 0.681 5.341 4.660 -0.000 0.000 0.294 293 W C -1.648 174.847 176.519 -0.040 0.000 1.248 293 W CA -0.538 56.717 57.345 -0.150 0.000 1.217 293 W CB 1.097 30.417 29.460 -0.233 0.000 1.306 293 W HN 0.510 nan 8.180 nan 0.000 0.532 294 N N 0.435 119.240 118.700 0.174 0.000 3.836 294 N HA 0.272 5.012 4.740 -0.000 0.000 0.229 294 N C -2.046 173.755 175.510 0.485 0.000 1.375 294 N CA -0.471 52.696 53.050 0.194 0.000 0.838 294 N CB 1.951 40.505 38.487 0.112 0.000 1.447 294 N HN 0.272 nan 8.380 nan 0.000 0.458 295 V N 1.430 121.614 119.914 0.451 0.000 2.649 295 V HA 0.533 4.653 4.120 -0.000 0.000 0.292 295 V C -0.638 175.936 176.094 0.800 0.000 1.055 295 V CA 0.053 62.748 62.300 0.659 0.000 1.023 295 V CB 0.954 33.183 31.823 0.676 0.000 0.992 295 V HN 0.655 nan 8.190 nan 0.000 0.480 296 W N 8.158 129.770 121.300 0.519 0.000 3.261 296 W HA 0.516 5.176 4.660 -0.000 0.000 0.321 296 W C -1.015 175.667 176.519 0.271 0.000 1.076 296 W CA -1.483 56.027 57.345 0.275 0.000 1.261 296 W CB 0.898 30.338 29.460 -0.033 0.000 1.166 296 W HN 0.665 nan 8.180 nan 0.000 0.395 297 Y N 1.172 121.610 120.300 0.231 0.000 2.473 297 Y HA 0.223 4.773 4.550 -0.000 0.000 0.291 297 Y C 1.547 177.419 175.900 -0.046 0.000 1.042 297 Y CA 0.701 58.763 58.100 -0.062 0.000 0.996 297 Y CB -0.307 38.057 38.460 -0.159 0.000 1.385 297 Y HN 0.214 nan 8.280 nan 0.000 0.578 298 H N 1.781 120.524 119.070 -0.545 0.000 2.319 298 H HA -0.119 4.437 4.556 -0.000 0.000 0.297 298 H C 2.164 177.381 175.328 -0.185 0.000 1.097 298 H CA 3.132 58.900 56.048 -0.467 0.000 1.285 298 H CB -0.008 29.430 29.762 -0.540 0.000 1.368 298 H HN 0.520 nan 8.280 nan 0.000 0.495 299 S N 0.103 115.812 115.700 0.015 0.000 2.562 299 S HA -0.062 4.408 4.470 -0.000 0.000 0.221 299 S C 1.652 176.279 174.600 0.046 0.000 0.975 299 S CA 0.372 58.578 58.200 0.010 0.000 0.918 299 S CB 0.002 63.183 63.200 -0.032 0.000 0.772 299 S HN 0.312 nan 8.310 nan 0.000 0.531 300 N N 3.559 122.297 118.700 0.064 0.000 2.049 300 N HA -0.149 4.591 4.740 -0.000 0.000 0.198 300 N C 1.415 176.932 175.510 0.011 0.000 1.030 300 N CA 1.996 55.063 53.050 0.030 0.000 0.870 300 N CB -0.848 37.621 38.487 -0.029 0.000 1.045 300 N HN 0.455 nan 8.380 nan 0.000 0.434 301 N N 0.485 119.188 118.700 0.004 0.000 2.039 301 N HA -0.142 4.598 4.740 -0.000 0.000 0.193 301 N C 1.667 177.177 175.510 -0.001 0.000 1.044 301 N CA 1.016 54.066 53.050 -0.000 0.000 0.847 301 N CB -0.632 37.856 38.487 0.001 0.000 1.030 301 N HN 0.325 nan 8.380 nan 0.000 0.422 302 E N 1.162 121.359 120.200 -0.004 0.000 2.130 302 E HA -0.181 4.168 4.350 -0.000 0.000 0.196 302 E C 0.945 177.540 176.600 -0.008 0.000 0.998 302 E CA 1.415 57.809 56.400 -0.011 0.000 0.806 302 E CB -0.420 29.268 29.700 -0.021 0.000 0.738 302 E HN 0.210 nan 8.360 nan 0.000 0.459 303 D N -0.612 119.788 120.400 0.001 0.000 2.221 303 D HA -0.121 4.519 4.640 -0.000 0.000 0.204 303 D C 1.546 177.855 176.300 0.014 0.000 0.982 303 D CA 1.373 55.380 54.000 0.011 0.000 0.857 303 D CB -0.282 40.546 40.800 0.048 0.000 0.934 303 D HN 0.373 nan 8.370 nan 0.000 0.475 304 A N 0.332 123.156 122.820 0.008 0.000 1.935 304 A HA -0.083 4.237 4.320 -0.000 0.000 0.214 304 A C 1.944 179.528 177.584 -0.000 0.000 1.178 304 A CA 0.595 52.634 52.037 0.004 0.000 0.640 304 A CB -0.232 18.768 19.000 0.000 0.000 0.825 304 A HN 0.123 nan 8.150 nan 0.000 0.447 305 N N 0.420 119.119 118.700 -0.003 0.000 2.272 305 N HA -0.101 4.638 4.740 -0.000 0.000 0.185 305 N C 0.480 175.986 175.510 -0.007 0.000 1.014 305 N CA 1.037 54.084 53.050 -0.004 0.000 0.870 305 N CB -0.255 38.228 38.487 -0.007 0.000 0.975 305 N HN 0.518 nan 8.380 nan 0.000 0.433 306 I N 1.695 122.258 120.570 -0.011 0.000 2.212 306 I HA 0.189 4.359 4.170 -0.000 0.000 0.285 306 I C 0.767 176.869 176.117 -0.025 0.000 1.116 306 I CA -0.146 61.143 61.300 -0.019 0.000 1.644 306 I CB -0.693 37.291 38.000 -0.027 0.000 1.485 306 I HN -0.019 nan 8.210 nan 0.000 0.728 307 M N 2.620 122.209 119.600 -0.017 0.000 0.000 307 M HA 0.548 5.028 4.480 -0.000 0.000 0.000 307 M C -0.945 175.344 176.300 -0.018 0.000 0.000 307 M CA -0.887 nan 55.300 nan 0.000 0.000 307 M CB 0.902 nan 32.600 nan 0.000 0.000 307 M HN 0.534 nan 8.290 nan 0.000 0.000 308 Q N 0.280 120.059 119.800 -0.036 0.000 2.584 308 Q HA 0.070 4.410 4.340 -0.000 0.000 0.235 308 Q C -0.641 175.365 176.000 0.009 0.000 1.360 308 Q CA 1.353 57.155 55.803 -0.003 0.000 0.626 308 Q CB -1.959 26.794 28.738 0.025 0.000 0.753 308 Q HN 2.275 nan 8.270 nan 0.000 0.316 309 N N 0.424 119.135 118.700 0.018 0.000 2.416 309 N HA 0.053 4.793 4.740 -0.000 0.000 0.326 309 N C -1.254 174.275 175.510 0.031 0.000 0.742 309 N CA 0.985 54.047 53.050 0.021 0.000 0.558 309 N CB 0.501 38.992 38.487 0.007 0.000 2.406 309 N HN 0.777 nan 8.380 nan 0.000 1.113 310 E N -1.221 119.002 120.200 0.038 0.000 8.961 310 E HA -0.081 4.269 4.350 -0.000 0.000 0.534 310 E C -2.700 173.953 176.600 0.089 0.000 1.431 310 E CA 0.785 57.205 56.400 0.032 0.000 2.555 310 E CB -0.846 28.845 29.700 -0.016 0.000 1.011 310 E HN 0.349 nan 8.360 nan 0.000 0.269 311 P HA 0.540 nan 4.420 nan 0.000 0.348 311 P C -0.626 176.708 177.300 0.056 0.000 1.239 311 P CA -0.048 62.967 63.100 -0.142 0.000 0.783 311 P CB 0.274 31.598 31.700 -0.627 0.000 1.515 312 W N -2.850 118.478 121.300 0.046 0.000 1.814 312 W HA -0.158 4.501 4.660 -0.000 0.000 0.259 312 W C -0.045 176.490 176.519 0.027 0.000 1.042 312 W CA -0.008 57.362 57.345 0.042 0.000 0.450 312 W CB -2.356 27.126 29.460 0.037 0.000 2.061 312 W HN 0.314 nan 8.180 nan 0.000 1.213 313 R N -0.103 120.490 120.500 0.155 0.000 2.730 313 R HA -0.159 4.180 4.340 -0.000 0.000 0.290 313 R C -0.290 176.044 176.300 0.056 0.000 0.964 313 R CA 1.408 57.543 56.100 0.057 0.000 0.782 313 R CB -1.714 28.571 30.300 -0.025 0.000 2.060 313 R HN 0.648 nan 8.270 nan 0.000 0.503 314 I N -0.824 119.770 120.570 0.039 0.000 2.359 314 I HA 0.496 4.666 4.170 -0.000 0.000 0.294 314 I C 0.898 177.008 176.117 -0.013 0.000 0.987 314 I CA 0.447 61.752 61.300 0.008 0.000 1.225 314 I CB 1.747 39.729 38.000 -0.031 0.000 1.366 314 I HN 0.655 nan 8.210 nan 0.000 0.466 315 A N 4.653 127.470 122.820 -0.005 0.000 2.519 315 A HA -0.108 4.212 4.320 -0.000 0.000 0.297 315 A C -2.542 175.023 177.584 -0.030 0.000 1.472 315 A CA 0.049 52.087 52.037 0.002 0.000 0.739 315 A CB -2.430 16.598 19.000 0.047 0.000 1.096 315 A HN 0.669 nan 8.150 nan 0.000 0.414 316 P HA 0.391 nan 4.420 nan 0.000 0.276 316 P C -2.564 174.681 177.300 -0.092 0.000 1.244 316 P CA -1.813 61.251 63.100 -0.059 0.000 0.801 316 P CB 0.132 31.798 31.700 -0.058 0.000 1.006 317 P HA 0.159 nan 4.420 nan 0.000 0.230 317 P C -0.581 176.637 177.300 -0.137 0.000 1.791 317 P CA 0.282 63.316 63.100 -0.111 0.000 1.020 317 P CB -0.152 31.499 31.700 -0.082 0.000 1.977 318 L N 2.255 123.366 121.223 -0.186 0.000 2.375 318 L HA 0.237 4.576 4.340 -0.000 0.000 0.271 318 L C 1.080 177.769 176.870 -0.303 0.000 1.107 318 L CA -0.956 53.753 54.840 -0.219 0.000 0.806 318 L CB 0.450 42.349 42.059 -0.265 0.000 1.146 318 L HN 0.021 nan 8.230 nan 0.000 0.447 319 L N 1.918 122.983 121.223 -0.263 0.000 3.717 319 L HA -0.225 4.115 4.340 -0.000 0.000 0.414 319 L C 0.208 176.864 176.870 -0.358 0.000 1.228 319 L CA 0.841 55.469 54.840 -0.353 0.000 0.918 319 L CB -1.520 40.148 42.059 -0.652 0.000 1.865 319 L HN 0.635 nan 8.230 nan 0.000 0.922 320 E N -0.105 119.942 120.200 -0.255 0.000 2.201 320 E HA 0.152 4.502 4.350 -0.000 0.000 0.272 320 E C 0.042 176.482 176.600 -0.266 0.000 1.228 320 E CA -0.530 55.718 56.400 -0.255 0.000 1.305 320 E CB 0.001 29.588 29.700 -0.189 0.000 1.381 320 E HN 0.300 nan 8.360 nan 0.000 0.475 321 D N 1.657 121.842 120.400 -0.358 0.000 2.450 321 D HA 0.012 4.652 4.640 -0.000 0.000 0.247 321 D C -0.113 175.788 176.300 -0.666 0.000 1.162 321 D CA 0.238 53.946 54.000 -0.487 0.000 0.879 321 D CB 0.613 41.027 40.800 -0.643 0.000 1.163 321 D HN 0.200 nan 8.370 nan 0.000 0.472 322 I N 4.171 124.414 120.570 -0.545 0.000 2.297 322 I HA 0.110 4.280 4.170 -0.000 0.000 0.291 322 I C -0.104 175.656 176.117 -0.595 0.000 1.033 322 I CA -0.688 60.364 61.300 -0.413 0.000 1.253 322 I CB -0.526 37.366 38.000 -0.181 0.000 1.396 322 I HN 0.224 nan 8.210 nan 0.000 0.476 323 Y N 4.409 124.621 120.300 -0.146 0.000 2.319 323 Y HA 0.275 4.824 4.550 -0.000 0.000 0.328 323 Y C 1.565 177.461 175.900 -0.007 0.000 1.133 323 Y CA -0.389 57.667 58.100 -0.073 0.000 1.265 323 Y CB 0.755 39.254 38.460 0.066 0.000 1.218 323 Y HN 0.603 nan 8.280 nan 0.000 0.508 324 T N -0.868 113.832 114.554 0.243 0.000 2.824 324 T HA 0.117 4.466 4.350 -0.000 0.000 0.277 324 T C 0.812 175.704 174.700 0.320 0.000 0.975 324 T CA -0.536 61.709 62.100 0.241 0.000 0.966 324 T CB 0.531 69.552 68.868 0.256 0.000 1.054 324 T HN 0.561 nan 8.240 nan 0.000 0.533 325 F N 1.752 121.787 119.950 0.142 0.000 2.171 325 F HA -0.035 4.492 4.527 -0.000 0.000 0.300 325 F C 2.437 178.362 175.800 0.210 0.000 1.090 325 F CA 1.803 59.892 58.000 0.148 0.000 1.293 325 F CB -0.629 38.424 39.000 0.088 0.000 1.013 325 F HN 0.874 nan 8.300 nan 0.000 0.486 326 E N -0.670 119.578 120.200 0.081 0.000 2.153 326 E HA -0.239 4.110 4.350 -0.000 0.000 0.194 326 E C 1.489 178.243 176.600 0.258 0.000 0.988 326 E CA 1.547 57.994 56.400 0.079 0.000 0.811 326 E CB -0.744 29.103 29.700 0.244 0.000 0.746 326 E HN 0.347 nan 8.360 nan 0.000 0.466 327 D N 1.464 122.080 120.400 0.360 0.000 2.178 327 D HA -0.098 4.542 4.640 -0.000 0.000 0.201 327 D C 1.988 178.382 176.300 0.156 0.000 0.980 327 D CA 1.581 55.838 54.000 0.429 0.000 0.842 327 D CB -0.252 40.870 40.800 0.537 0.000 0.948 327 D HN 0.382 nan 8.370 nan 0.000 0.472 328 A N 0.472 123.323 122.820 0.051 0.000 1.930 328 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 328 A C 2.339 179.851 177.584 -0.121 0.000 1.175 328 A CA 0.679 52.689 52.037 -0.046 0.000 0.627 328 A CB -0.644 18.371 19.000 0.025 0.000 0.815 328 A HN 0.185 nan 8.150 nan 0.000 0.443 329 L N -1.156 119.959 121.223 -0.180 0.000 2.046 329 L HA -0.152 4.187 4.340 -0.000 0.000 0.208 329 L C 2.524 179.363 176.870 -0.050 0.000 1.077 329 L CA 1.067 55.830 54.840 -0.128 0.000 0.747 329 L CB -0.437 41.496 42.059 -0.211 0.000 0.896 329 L HN 0.439 nan 8.230 nan 0.000 0.432 330 L N -0.824 120.353 121.223 -0.076 0.000 2.109 330 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 330 L C 2.347 179.201 176.870 -0.027 0.000 1.086 330 L CA 1.395 56.144 54.840 -0.152 0.000 0.760 330 L CB -0.288 41.524 42.059 -0.412 0.000 0.910 330 L HN -0.102 nan 8.230 nan 0.000 0.437 331 V N 0.080 120.019 119.914 0.041 0.000 2.332 331 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 331 V C 2.567 178.693 176.094 0.053 0.000 1.055 331 V CA 1.917 64.304 62.300 0.145 0.000 1.038 331 V CB -1.449 30.432 31.823 0.096 0.000 0.651 331 V HN 0.646 nan 8.190 nan 0.000 0.450 332 G N -0.495 108.262 108.800 -0.072 0.000 2.446 332 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.217 332 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.217 332 G C 1.584 176.592 174.900 0.180 0.000 1.168 332 G CA 1.075 46.151 45.100 -0.041 0.000 0.771 332 G HN 0.472 nan 8.290 nan 0.000 0.551 333 L N -0.112 121.174 121.223 0.106 0.000 2.042 333 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 333 L C 3.137 179.979 176.870 -0.046 0.000 1.076 333 L CA 1.217 56.079 54.840 0.037 0.000 0.749 333 L CB -0.294 41.742 42.059 -0.039 0.000 0.893 333 L HN 0.242 nan 8.230 nan 0.000 0.432 334 M N -0.898 118.648 119.600 -0.090 0.000 2.086 334 M HA -0.231 4.249 4.480 -0.000 0.000 0.261 334 M C 2.327 178.375 176.300 -0.421 0.000 1.067 334 M CA 1.794 56.952 55.300 -0.237 0.000 1.116 334 M CB -0.447 32.033 32.600 -0.199 0.000 1.348 334 M HN 0.216 nan 8.290 nan 0.000 0.407 335 L N -0.056 120.960 121.223 -0.344 0.000 2.083 335 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 335 L C 2.340 179.081 176.870 -0.216 0.000 1.083 335 L CA 1.192 55.837 54.840 -0.324 0.000 0.752 335 L CB -0.536 41.455 42.059 -0.115 0.000 0.899 335 L HN 0.270 nan 8.230 nan 0.000 0.433 336 I N -0.790 119.726 120.570 -0.090 0.000 2.179 336 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 336 I C 2.483 178.548 176.117 -0.086 0.000 1.088 336 I CA 1.557 62.821 61.300 -0.060 0.000 1.357 336 I CB -0.369 37.653 38.000 0.037 0.000 1.051 336 I HN 0.248 nan 8.210 nan 0.000 0.409 337 T N 1.253 115.752 114.554 -0.093 0.000 2.708 337 T HA -0.154 4.196 4.350 -0.000 0.000 0.266 337 T C 1.935 176.623 174.700 -0.021 0.000 1.037 337 T CA 1.269 63.350 62.100 -0.031 0.000 1.146 337 T CB -0.375 68.471 68.868 -0.038 0.000 0.865 337 T HN 0.217 nan 8.240 nan 0.000 0.435 338 L N 0.211 121.310 121.223 -0.207 0.000 1.990 338 L HA -0.182 4.158 4.340 -0.000 0.000 0.213 338 L C 2.758 179.548 176.870 -0.133 0.000 1.072 338 L CA 1.650 56.350 54.840 -0.234 0.000 0.755 338 L CB -0.607 41.168 42.059 -0.473 0.000 0.889 338 L HN 0.307 nan 8.230 nan 0.000 0.432 339 M N -0.568 118.930 119.600 -0.170 0.000 2.106 339 M HA -0.249 4.231 4.480 -0.000 0.000 0.259 339 M C 2.251 178.493 176.300 -0.096 0.000 1.068 339 M CA 1.770 56.989 55.300 -0.134 0.000 1.100 339 M CB -0.338 32.175 32.600 -0.144 0.000 1.351 339 M HN 0.122 nan 8.290 nan 0.000 0.404 340 K N -0.758 119.576 120.400 -0.111 0.000 2.209 340 K HA -0.124 4.196 4.320 -0.000 0.000 0.204 340 K C 0.705 177.091 176.600 -0.358 0.000 1.048 340 K CA 0.875 57.030 56.287 -0.220 0.000 0.940 340 K CB -0.180 32.158 32.500 -0.270 0.000 0.729 340 K HN 0.553 nan 8.250 nan 0.000 0.451 341 H N -0.991 118.059 119.070 -0.034 0.000 2.472 341 H HA 0.254 4.810 4.556 -0.000 0.000 0.287 341 H C 0.939 176.262 175.328 -0.008 0.000 1.112 341 H CA -0.057 55.987 56.048 -0.007 0.000 1.021 341 H CB 0.659 30.424 29.762 0.006 0.000 1.635 341 H HN 0.120 nan 8.280 nan 0.000 0.559 342 A N 1.139 123.976 122.820 0.027 0.000 2.172 342 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 342 A C 2.036 179.636 177.584 0.026 0.000 1.154 342 A CA 1.224 53.260 52.037 -0.002 0.000 0.701 342 A CB -0.124 18.849 19.000 -0.046 0.000 0.789 342 A HN 0.448 nan 8.150 nan 0.000 0.465 343 D N -1.276 119.159 120.400 0.058 0.000 2.317 343 D HA -0.106 4.534 4.640 -0.000 0.000 0.211 343 D C 1.609 178.008 176.300 0.166 0.000 0.966 343 D CA 0.646 54.696 54.000 0.084 0.000 0.876 343 D CB -0.109 40.737 40.800 0.078 0.000 0.927 343 D HN 0.300 nan 8.370 nan 0.000 0.519 344 R N -0.162 120.452 120.500 0.190 0.000 2.350 344 R HA 0.349 4.689 4.340 -0.000 0.000 0.199 344 R C 0.720 177.184 176.300 0.272 0.000 0.876 344 R CA -0.208 56.063 56.100 0.285 0.000 1.062 344 R CB 0.368 30.787 30.300 0.198 0.000 1.263 344 R HN 0.187 nan 8.270 nan 0.000 0.641 345 I N 2.991 123.665 120.570 0.173 0.000 2.363 345 I HA 0.036 4.206 4.170 -0.000 0.000 0.292 345 I C 1.053 177.218 176.117 0.080 0.000 1.075 345 I CA 0.240 61.626 61.300 0.142 0.000 1.333 345 I CB 0.721 38.783 38.000 0.103 0.000 1.415 345 I HN -0.237 nan 8.210 nan 0.000 0.502 346 K N 6.159 126.631 120.400 0.120 0.000 2.391 346 K HA 0.446 4.766 4.320 -0.000 0.000 0.197 346 K C 0.104 176.697 176.600 -0.011 0.000 1.087 346 K CA 0.419 56.731 56.287 0.041 0.000 1.012 346 K CB 0.969 33.504 32.500 0.058 0.000 0.925 346 K HN 0.461 nan 8.250 nan 0.000 0.547 347 I N 0.346 120.904 120.570 -0.019 0.000 2.686 347 I HA 0.458 4.628 4.170 -0.000 0.000 0.295 347 I C -1.130 175.000 176.117 0.022 0.000 1.114 347 I CA -1.064 60.193 61.300 -0.072 0.000 1.038 347 I CB 2.383 40.248 38.000 -0.224 0.000 1.238 347 I HN -0.168 nan 8.210 nan 0.000 0.420 348 A N 3.970 126.828 122.820 0.063 0.000 2.572 348 A HA 0.845 5.165 4.320 -0.000 0.000 0.295 348 A C -1.659 176.107 177.584 0.303 0.000 1.072 348 A CA -0.463 51.703 52.037 0.215 0.000 0.691 348 A CB 1.741 20.827 19.000 0.143 0.000 1.291 348 A HN 0.726 nan 8.150 nan 0.000 0.404 349 C N 1.546 121.079 119.300 0.388 0.000 2.432 349 C HA 0.608 5.068 4.460 -0.000 0.000 0.334 349 C C -0.297 174.658 174.990 -0.058 0.000 1.155 349 C CA -0.495 58.652 59.018 0.215 0.000 1.335 349 C CB 0.211 28.010 27.740 0.098 0.000 1.964 349 C HN 0.925 nan 8.230 nan 0.000 0.444 350 L N 3.641 124.623 121.223 -0.402 0.000 2.264 350 L HA 0.739 5.079 4.340 -0.000 0.000 0.289 350 L C 0.522 177.153 176.870 -0.398 0.000 1.044 350 L CA 0.746 55.056 54.840 -0.884 0.000 0.807 350 L CB 1.058 42.234 42.059 -1.471 0.000 1.192 350 L HN 1.124 nan 8.230 nan 0.000 0.425 351 A N 3.310 126.016 122.820 -0.190 0.000 4.275 351 A HA -0.081 4.239 4.320 -0.000 0.000 0.193 351 A C -0.173 177.311 177.584 -0.167 0.000 1.206 351 A CA 0.251 52.245 52.037 -0.072 0.000 0.906 351 A CB -2.087 16.819 19.000 -0.156 0.000 0.925 351 A HN 0.792 nan 8.150 nan 0.000 0.536 352 Q N -1.569 118.064 119.800 -0.278 0.000 2.814 352 Q HA 0.720 5.060 4.340 -0.000 0.000 0.283 352 Q C 1.004 176.802 176.000 -0.336 0.000 1.071 352 Q CA -0.728 54.869 55.803 -0.344 0.000 0.849 352 Q CB 0.754 29.174 28.738 -0.530 0.000 1.437 352 Q HN 0.667 nan 8.270 nan 0.000 0.492 353 L N 0.238 121.281 121.223 -0.301 0.000 2.102 353 L HA 0.175 4.514 4.340 -0.000 0.000 0.202 353 L C 0.005 176.745 176.870 -0.217 0.000 1.076 353 L CA 1.472 56.169 54.840 -0.238 0.000 0.761 353 L CB 0.632 42.627 42.059 -0.106 0.000 0.921 353 L HN 0.427 nan 8.230 nan 0.000 0.444 354 I N 0.735 121.164 120.570 -0.235 0.000 2.418 354 I HA 0.306 4.475 4.170 -0.000 0.000 0.287 354 I C 0.492 176.436 176.117 -0.289 0.000 1.008 354 I CA -0.337 60.824 61.300 -0.231 0.000 1.104 354 I CB 0.929 38.807 38.000 -0.204 0.000 1.264 354 I HN 0.207 nan 8.210 nan 0.000 0.438 355 N N 3.104 121.630 118.700 -0.289 0.000 2.282 355 N HA -0.187 4.553 4.740 -0.000 0.000 0.222 355 N C 0.290 175.604 175.510 -0.326 0.000 0.937 355 N CA 1.450 54.321 53.050 -0.298 0.000 2.775 355 N CB -0.745 37.585 38.487 -0.262 0.000 0.817 355 N HN 0.414 nan 8.380 nan 0.000 0.463 356 V N 3.670 123.360 119.914 -0.374 0.000 2.389 356 V HA 0.264 4.384 4.120 -0.000 0.000 0.264 356 V C 1.118 176.947 176.094 -0.440 0.000 1.049 356 V CA -0.000 62.026 62.300 -0.455 0.000 0.932 356 V CB -0.140 31.353 31.823 -0.550 0.000 1.011 356 V HN 0.386 nan 8.190 nan 0.000 0.475 357 I N 3.107 123.417 120.570 -0.433 0.000 3.088 357 I HA -0.193 3.977 4.170 -0.000 0.000 0.126 357 I C 0.121 176.189 176.117 -0.082 0.000 0.929 357 I CA 0.861 61.998 61.300 -0.271 0.000 2.771 357 I CB -1.219 36.521 38.000 -0.434 0.000 0.874 357 I HN 0.629 nan 8.210 nan 0.000 0.349 358 A N 5.433 128.240 122.820 -0.022 0.000 2.498 358 A HA 0.914 5.233 4.320 -0.000 0.000 0.298 358 A C -1.897 175.640 177.584 -0.078 0.000 1.075 358 A CA -1.159 50.798 52.037 -0.134 0.000 0.714 358 A CB 1.569 20.421 19.000 -0.246 0.000 1.299 358 A HN 0.310 nan 8.150 nan 0.000 0.407 359 P HA 0.081 nan 4.420 nan 0.000 0.225 359 P C 0.064 177.307 177.300 -0.096 0.000 1.156 359 P CA 0.991 64.016 63.100 -0.124 0.000 0.787 359 P CB 0.160 31.726 31.700 -0.224 0.000 0.802 360 I N -0.002 120.460 120.570 -0.179 0.000 2.433 360 I HA 0.299 4.469 4.170 -0.000 0.000 0.292 360 I C -0.502 175.372 176.117 -0.405 0.000 1.001 360 I CA -1.014 60.143 61.300 -0.240 0.000 1.119 360 I CB 2.582 40.521 38.000 -0.102 0.000 1.289 360 I HN -0.372 nan 8.210 nan 0.000 0.438 361 V N 3.865 123.387 119.914 -0.653 0.000 2.638 361 V HA 0.484 4.604 4.120 -0.000 0.000 0.306 361 V C -0.093 175.680 176.094 -0.535 0.000 1.052 361 V CA -0.604 61.260 62.300 -0.727 0.000 0.885 361 V CB 2.274 33.356 31.823 -1.235 0.000 0.999 361 V HN 0.842 nan 8.190 nan 0.000 0.424 362 T N -0.218 114.186 114.554 -0.251 0.000 2.859 362 T HA 0.466 4.816 4.350 -0.000 0.000 0.281 362 T C 0.657 175.361 174.700 0.007 0.000 1.005 362 T CA -0.598 61.456 62.100 -0.076 0.000 1.025 362 T CB 2.197 71.027 68.868 -0.064 0.000 0.977 362 T HN 0.517 nan 8.240 nan 0.000 0.458 363 E N 1.416 121.679 120.200 0.105 0.000 2.012 363 E HA -0.083 4.267 4.350 -0.000 0.000 0.197 363 E C 0.723 177.349 176.600 0.043 0.000 1.007 363 E CA 1.416 57.890 56.400 0.124 0.000 0.816 363 E CB -0.053 29.710 29.700 0.105 0.000 0.762 363 E HN 0.790 nan 8.360 nan 0.000 0.451 364 R N -1.167 119.341 120.500 0.012 0.000 7.668 364 R HA -0.046 4.294 4.340 -0.000 0.000 0.247 364 R C -1.024 175.270 176.300 -0.010 0.000 0.843 364 R CA 0.613 56.708 56.100 -0.008 0.000 1.897 364 R CB -0.995 29.300 30.300 -0.008 0.000 1.140 364 R HN 0.133 nan 8.270 nan 0.000 0.926 365 N N -0.034 118.657 118.700 -0.016 0.000 2.690 365 N HA -0.226 4.513 4.740 -0.000 0.000 0.249 365 N C 0.168 175.667 175.510 -0.017 0.000 1.125 365 N CA 1.961 55.001 53.050 -0.017 0.000 0.794 365 N CB -0.938 37.540 38.487 -0.015 0.000 1.152 365 N HN 0.748 nan 8.380 nan 0.000 0.571 366 G N -1.116 107.676 108.800 -0.014 0.000 3.175 366 G HA2 0.673 4.633 3.960 -0.000 0.000 0.153 366 G HA3 0.673 4.633 3.960 -0.000 0.000 0.153 366 G C 0.239 175.131 174.900 -0.014 0.000 1.216 366 G CA 0.508 45.602 45.100 -0.010 0.000 0.943 366 G HN 0.914 nan 8.290 nan 0.000 0.611 367 G N -1.522 107.275 108.800 -0.004 0.000 3.379 367 G HA2 0.468 4.428 3.960 -0.000 0.000 0.653 367 G HA3 0.468 4.428 3.960 -0.000 0.000 0.653 367 G C -0.182 174.736 174.900 0.030 0.000 0.872 367 G CA 0.260 45.366 45.100 0.010 0.000 0.754 367 G HN 1.974 nan 8.290 nan 0.000 0.467 368 A N 1.894 124.755 122.820 0.069 0.000 2.572 368 A HA 1.102 5.422 4.320 -0.000 0.000 0.295 368 A C 0.221 177.897 177.584 0.153 0.000 1.072 368 A CA 0.309 52.393 52.037 0.078 0.000 0.691 368 A CB 1.356 20.392 19.000 0.061 0.000 1.291 368 A HN 2.665 nan 8.150 nan 0.000 0.404 369 A N 1.556 124.438 122.820 0.104 0.000 2.316 369 A HA 0.824 5.144 4.320 -0.000 0.000 0.284 369 A C -0.211 177.478 177.584 0.175 0.000 1.115 369 A CA -0.223 51.852 52.037 0.062 0.000 0.812 369 A CB 0.215 19.209 19.000 -0.011 0.000 1.064 369 A HN 1.716 nan 8.150 nan 0.000 0.489 370 W N 0.404 121.647 121.300 -0.095 0.000 2.988 370 W HA 0.622 5.282 4.660 -0.000 0.000 0.355 370 W C -1.360 175.052 176.519 -0.178 0.000 1.233 370 W CA -1.069 56.198 57.345 -0.131 0.000 1.176 370 W CB 0.736 30.135 29.460 -0.102 0.000 1.477 370 W HN 0.615 nan 8.180 nan 0.000 0.582 371 R N 2.000 122.511 120.500 0.018 0.000 2.295 371 R HA 0.262 4.602 4.340 -0.000 0.000 0.324 371 R C 0.329 176.659 176.300 0.051 0.000 0.968 371 R CA -0.764 55.173 56.100 -0.273 0.000 0.837 371 R CB 2.164 32.006 30.300 -0.763 0.000 1.133 371 R HN 0.307 nan 8.270 nan 0.000 0.450 372 Q N 0.726 120.500 119.800 -0.043 0.000 2.417 372 Q HA 0.001 4.341 4.340 -0.000 0.000 0.241 372 Q C 1.381 177.500 176.000 0.198 0.000 1.008 372 Q CA 0.367 56.261 55.803 0.151 0.000 0.901 372 Q CB 1.203 30.003 28.738 0.104 0.000 1.259 372 Q HN 0.753 nan 8.270 nan 0.000 0.489 373 T N -1.496 113.225 114.554 0.278 0.000 2.721 373 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 373 T C 1.725 176.552 174.700 0.211 0.000 1.038 373 T CA 2.108 64.386 62.100 0.298 0.000 1.145 373 T CB -0.530 68.532 68.868 0.324 0.000 0.858 373 T HN 0.708 nan 8.240 nan 0.000 0.459 374 I N -2.089 118.520 120.570 0.065 0.000 2.928 374 I HA 0.193 4.363 4.170 -0.000 0.000 0.266 374 I C 2.197 178.286 176.117 -0.047 0.000 1.234 374 I CA 0.375 61.629 61.300 -0.077 0.000 1.483 374 I CB -0.869 36.916 38.000 -0.359 0.000 1.097 374 I HN 0.089 nan 8.210 nan 0.000 0.455 375 F N 2.075 121.908 119.950 -0.195 0.000 2.063 375 F HA -0.316 4.211 4.527 -0.000 0.000 0.298 375 F C 2.102 177.776 175.800 -0.210 0.000 1.109 375 F CA 1.960 59.788 58.000 -0.287 0.000 1.212 375 F CB -0.487 38.227 39.000 -0.477 0.000 0.973 375 F HN 0.027 nan 8.300 nan 0.000 0.480 376 Y N -0.163 120.297 120.300 0.267 0.000 2.220 376 Y HA -0.008 4.542 4.550 -0.000 0.000 0.291 376 Y C -0.398 175.429 175.900 -0.122 0.000 1.129 376 Y CA 0.881 59.041 58.100 0.101 0.000 1.161 376 Y CB -2.392 36.176 38.460 0.181 0.000 0.997 376 Y HN 0.101 nan 8.280 nan 0.000 0.522 377 P HA -0.239 nan 4.420 nan 0.000 0.216 377 P C 1.595 178.803 177.300 -0.154 0.000 1.153 377 P CA 1.673 64.429 63.100 -0.574 0.000 0.858 377 P CB -0.280 30.962 31.700 -0.765 0.000 0.789 378 F N -0.836 119.003 119.950 -0.184 0.000 2.171 378 F HA -0.135 4.392 4.527 -0.000 0.000 0.300 378 F C 2.328 178.026 175.800 -0.170 0.000 1.090 378 F CA 1.382 59.316 58.000 -0.110 0.000 1.293 378 F CB -0.483 38.418 39.000 -0.164 0.000 1.013 378 F HN -0.205 nan 8.300 nan 0.000 0.486 379 M N -0.708 118.851 119.600 -0.068 0.000 2.159 379 M HA -0.227 4.253 4.480 -0.000 0.000 0.263 379 M C 2.188 178.430 176.300 -0.097 0.000 1.063 379 M CA 1.686 56.887 55.300 -0.165 0.000 1.110 379 M CB -0.636 31.866 32.600 -0.163 0.000 1.374 379 M HN 0.205 nan 8.290 nan 0.000 0.411 380 H N -0.187 119.005 119.070 0.203 0.000 2.326 380 H HA 0.038 4.594 4.556 -0.000 0.000 0.301 380 H C 2.120 177.655 175.328 0.344 0.000 1.081 380 H CA 1.699 57.993 56.048 0.410 0.000 1.334 380 H CB -0.645 29.622 29.762 0.841 0.000 1.385 380 H HN 0.481 nan 8.280 nan 0.000 0.504 381 A N 0.116 123.111 122.820 0.292 0.000 1.902 381 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 381 A C 2.748 179.893 177.584 -0.731 0.000 1.181 381 A CA 1.973 53.939 52.037 -0.117 0.000 0.623 381 A CB -0.733 18.174 19.000 -0.155 0.000 0.818 381 A HN 0.375 nan 8.150 nan 0.000 0.443 382 S N -1.066 114.068 115.700 -0.943 0.000 2.406 382 S HA -0.117 4.353 4.470 -0.000 0.000 0.228 382 S C 2.065 176.258 174.600 -0.679 0.000 1.020 382 S CA 1.707 59.154 58.200 -1.256 0.000 0.965 382 S CB -0.224 62.526 63.200 -0.751 0.000 0.798 382 S HN 0.639 nan 8.310 nan 0.000 0.488 383 K N -0.994 119.124 120.400 -0.470 0.000 2.067 383 K HA 0.002 4.322 4.320 -0.000 0.000 0.203 383 K C 1.191 177.555 176.600 -0.394 0.000 1.048 383 K CA 1.161 57.153 56.287 -0.493 0.000 0.954 383 K CB -0.139 31.917 32.500 -0.739 0.000 0.737 383 K HN 0.428 nan 8.250 nan 0.000 0.444 384 Y N -0.742 119.606 120.300 0.080 0.000 2.458 384 Y HA 0.284 4.834 4.550 -0.000 0.000 0.254 384 Y C 1.431 177.452 175.900 0.203 0.000 1.120 384 Y CA 0.070 58.246 58.100 0.125 0.000 1.282 384 Y CB 0.540 39.062 38.460 0.105 0.000 1.109 384 Y HN 0.067 nan 8.280 nan 0.000 0.526 385 G N 1.527 110.496 108.800 0.281 0.000 3.741 385 G HA2 0.204 4.164 3.960 -0.000 0.000 0.263 385 G HA3 0.204 4.164 3.960 -0.000 0.000 0.263 385 G C 0.072 175.089 174.900 0.195 0.000 1.175 385 G CA -0.415 44.845 45.100 0.266 0.000 1.642 385 G HN -0.109 nan 8.290 nan 0.000 0.644 386 R N 0.401 120.985 120.500 0.140 0.000 2.393 386 R HA 0.733 5.073 4.340 -0.000 0.000 0.315 386 R C 0.406 176.746 176.300 0.067 0.000 0.952 386 R CA 0.181 56.344 56.100 0.106 0.000 0.842 386 R CB 1.632 31.965 30.300 0.054 0.000 1.163 386 R HN 0.446 nan 8.270 nan 0.000 0.450 387 G N 2.442 111.272 108.800 0.049 0.000 2.249 387 G HA2 -0.017 3.942 3.960 -0.000 0.000 0.089 387 G HA3 -0.017 3.942 3.960 -0.000 0.000 0.089 387 G C -1.260 173.652 174.900 0.020 0.000 1.206 387 G CA -0.850 44.251 45.100 0.002 0.000 1.190 387 G HN 0.374 nan 8.290 nan 0.000 0.454 388 I N 1.315 121.907 120.570 0.037 0.000 2.418 388 I HA 0.477 4.647 4.170 -0.000 0.000 0.287 388 I C 0.062 176.235 176.117 0.094 0.000 1.008 388 I CA -0.995 60.345 61.300 0.067 0.000 1.104 388 I CB 2.106 40.159 38.000 0.089 0.000 1.264 388 I HN 0.267 nan 8.210 nan 0.000 0.438 389 V N 7.448 127.398 119.914 0.061 0.000 2.439 389 V HA 0.168 4.288 4.120 -0.000 0.000 0.271 389 V C 0.273 176.390 176.094 0.039 0.000 1.040 389 V CA -0.153 62.176 62.300 0.048 0.000 1.002 389 V CB 0.565 32.393 31.823 0.009 0.000 1.000 389 V HN 0.440 nan 8.190 nan 0.000 0.477 390 L N 4.551 125.799 121.223 0.042 0.000 2.275 390 L HA 0.409 4.749 4.340 -0.000 0.000 0.288 390 L C 0.379 177.246 176.870 -0.006 0.000 1.046 390 L CA -0.675 54.176 54.840 0.019 0.000 0.805 390 L CB 1.169 43.235 42.059 0.012 0.000 1.193 390 L HN 0.606 nan 8.230 nan 0.000 0.426 391 Q N 6.541 126.332 119.800 -0.015 0.000 2.362 391 Q HA 0.008 4.348 4.340 -0.000 0.000 0.305 391 Q C -2.153 173.831 176.000 -0.027 0.000 1.120 391 Q CA -0.561 55.225 55.803 -0.028 0.000 1.011 391 Q CB 0.330 29.054 28.738 -0.024 0.000 1.048 391 Q HN 0.208 nan 8.270 nan 0.000 0.386 392 P HA -0.001 nan 4.420 nan 0.000 0.273 392 P C -0.919 176.366 177.300 -0.024 0.000 1.319 392 P CA -0.149 62.935 63.100 -0.027 0.000 0.885 392 P CB 0.691 32.375 31.700 -0.026 0.000 1.015 393 V N 6.189 126.090 119.914 -0.022 0.000 2.353 393 V HA 0.442 4.562 4.120 -0.000 0.000 0.264 393 V C -0.425 175.660 176.094 -0.016 0.000 1.049 393 V CA -0.638 61.652 62.300 -0.018 0.000 0.896 393 V CB -0.013 31.799 31.823 -0.017 0.000 1.025 393 V HN 0.393 nan 8.190 nan 0.000 0.475 394 I N 5.879 126.441 120.570 -0.013 0.000 2.468 394 I HA 0.534 4.704 4.170 -0.000 0.000 0.285 394 I C -0.627 175.486 176.117 -0.006 0.000 1.039 394 I CA -0.308 60.985 61.300 -0.011 0.000 1.074 394 I CB 1.945 39.938 38.000 -0.012 0.000 1.228 394 I HN 0.670 nan 8.210 nan 0.000 0.436 395 N N 5.080 123.778 118.700 -0.004 0.000 2.949 395 N HA 0.279 5.019 4.740 -0.000 0.000 0.243 395 N C -1.146 174.366 175.510 0.004 0.000 1.113 395 N CA -0.034 53.016 53.050 0.000 0.000 0.980 395 N CB 0.554 39.041 38.487 0.001 0.000 1.256 395 N HN 0.526 nan 8.380 nan 0.000 0.508 396 S N 2.744 118.447 115.700 0.004 0.000 2.489 396 S HA 0.562 5.032 4.470 -0.000 0.000 0.291 396 S C -2.365 172.244 174.600 0.015 0.000 1.151 396 S CA -1.355 56.851 58.200 0.011 0.000 1.082 396 S CB 0.471 63.676 63.200 0.009 0.000 1.019 396 S HN 0.388 nan 8.310 nan 0.000 0.492 397 P HA 0.242 nan 4.420 nan 0.000 0.267 397 P C -0.434 176.889 177.300 0.039 0.000 1.200 397 P CA -0.185 62.937 63.100 0.037 0.000 0.772 397 P CB 0.062 31.792 31.700 0.050 0.000 0.855 398 L N 3.202 124.443 121.223 0.030 0.000 2.344 398 L HA 0.745 5.085 4.340 -0.000 0.000 0.272 398 L C 0.381 177.286 176.870 0.059 0.000 1.035 398 L CA -1.046 53.791 54.840 -0.005 0.000 0.807 398 L CB 0.299 nan 42.059 nan 0.000 1.237 398 L HN 0.891 nan 8.230 nan 0.000 0.442 399 H N -1.208 117.879 119.070 0.028 0.000 2.928 399 H HA 0.864 5.420 4.556 -0.000 0.000 0.371 399 H C -1.638 173.714 175.328 0.042 0.000 1.186 399 H CA -1.171 54.899 56.048 0.036 0.000 1.134 399 H CB 1.334 31.118 29.762 0.038 0.000 1.824 399 H HN 0.570 nan 8.280 nan 0.000 0.554 400 D N 1.163 121.696 120.400 0.222 0.000 2.181 400 D HA 0.335 4.975 4.640 -0.000 0.000 0.248 400 D C 0.327 176.786 176.300 0.265 0.000 1.020 400 D CA -0.312 53.790 54.000 0.170 0.000 0.891 400 D CB 2.070 42.936 40.800 0.110 0.000 1.187 400 D HN 0.796 nan 8.370 nan 0.000 0.443 401 T N -2.910 111.775 114.554 0.218 0.000 2.844 401 T HA 0.324 4.674 4.350 -0.000 0.000 0.274 401 T C 1.412 176.204 174.700 0.154 0.000 0.991 401 T CA -0.329 61.891 62.100 0.201 0.000 0.983 401 T CB 0.811 69.803 68.868 0.207 0.000 1.310 401 T HN 0.207 nan 8.240 nan 0.000 0.596 402 S N 0.123 115.907 115.700 0.139 0.000 2.383 402 S HA -0.021 4.449 4.470 -0.000 0.000 0.227 402 S C 1.421 176.075 174.600 0.090 0.000 1.026 402 S CA 0.641 58.902 58.200 0.102 0.000 0.981 402 S CB -0.550 62.703 63.200 0.088 0.000 0.818 402 S HN 0.736 nan 8.310 nan 0.000 0.472 403 K N 0.088 120.569 120.400 0.135 0.000 2.447 403 K HA 0.306 4.626 4.320 -0.000 0.000 0.205 403 K C -0.967 175.533 176.600 -0.166 0.000 1.059 403 K CA -0.102 56.195 56.287 0.017 0.000 1.065 403 K CB 0.615 33.119 32.500 0.006 0.000 0.885 403 K HN 0.442 nan 8.250 nan 0.000 0.545 404 H N 0.443 119.529 119.070 0.026 0.000 2.894 404 H HA 0.172 4.728 4.556 -0.000 0.000 0.367 404 H C -0.815 174.519 175.328 0.010 0.000 1.144 404 H CA -0.997 55.058 56.048 0.011 0.000 1.180 404 H CB 1.450 31.208 29.762 -0.006 0.000 1.758 404 H HN 0.038 nan 8.280 nan 0.000 0.541 405 E N 1.420 121.678 120.200 0.098 0.000 2.299 405 E HA 0.285 4.634 4.350 -0.000 0.000 0.265 405 E C -0.843 175.769 176.600 0.021 0.000 0.911 405 E CA -0.867 55.566 56.400 0.055 0.000 0.789 405 E CB 1.540 31.263 29.700 0.039 0.000 1.246 405 E HN 0.612 nan 8.360 nan 0.000 0.427 406 D N -0.017 120.377 120.400 -0.010 0.000 2.723 406 D HA -0.112 4.528 4.640 -0.000 0.000 0.236 406 D C -0.549 175.695 176.300 -0.092 0.000 1.138 406 D CA 0.606 54.583 54.000 -0.037 0.000 0.676 406 D CB -1.617 39.177 40.800 -0.009 0.000 1.069 406 D HN 0.285 nan 8.370 nan 0.000 0.430 407 V N 1.272 121.060 119.914 -0.208 0.000 2.455 407 V HA 0.193 4.313 4.120 -0.000 0.000 0.273 407 V C 1.438 177.293 176.094 -0.398 0.000 1.045 407 V CA -0.218 61.883 62.300 -0.331 0.000 0.976 407 V CB 1.127 32.658 31.823 -0.486 0.000 0.993 407 V HN 0.356 nan 8.190 nan 0.000 0.475 408 T N 1.119 115.558 114.554 -0.192 0.000 2.946 408 T HA 0.022 4.372 4.350 -0.000 0.000 0.311 408 T C 0.636 175.298 174.700 -0.064 0.000 1.063 408 T CA -0.355 61.684 62.100 -0.100 0.000 1.139 408 T CB 0.735 69.575 68.868 -0.045 0.000 0.994 408 T HN 0.637 nan 8.240 nan 0.000 0.547 409 D N 1.057 121.481 120.400 0.041 0.000 2.110 409 D HA 0.059 4.699 4.640 -0.000 0.000 0.202 409 D C 0.760 177.106 176.300 0.076 0.000 0.975 409 D CA 0.738 54.823 54.000 0.141 0.000 0.839 409 D CB -0.043 40.848 40.800 0.152 0.000 0.996 409 D HN 0.473 nan 8.370 nan 0.000 0.464 410 I N 1.543 122.139 120.570 0.043 0.000 2.352 410 I HA 0.219 4.389 4.170 -0.000 0.000 0.290 410 I C 0.225 176.350 176.117 0.013 0.000 1.036 410 I CA -0.502 60.814 61.300 0.026 0.000 1.336 410 I CB 0.684 38.693 38.000 0.014 0.000 1.407 410 I HN -0.112 nan 8.210 nan 0.000 0.497 411 E N 4.530 124.740 120.200 0.017 0.000 2.171 411 E HA 0.591 4.941 4.350 -0.000 0.000 0.271 411 E C -1.014 175.593 176.600 0.013 0.000 0.916 411 E CA -0.264 56.143 56.400 0.012 0.000 0.774 411 E CB 1.357 31.067 29.700 0.016 0.000 1.128 411 E HN 0.548 nan 8.360 nan 0.000 0.403 412 S N 2.730 118.434 115.700 0.006 0.000 2.537 412 S HA 0.738 5.208 4.470 -0.000 0.000 0.270 412 S C -1.780 172.830 174.600 0.016 0.000 1.142 412 S CA -0.580 57.624 58.200 0.006 0.000 0.870 412 S CB 0.933 64.121 63.200 -0.021 0.000 1.112 412 S HN 0.330 nan 8.310 nan 0.000 0.466 413 V N 1.264 121.211 119.914 0.055 0.000 2.888 413 V HA 0.946 5.066 4.120 -0.000 0.000 0.309 413 V C -0.217 175.948 176.094 0.118 0.000 1.114 413 V CA -0.844 61.494 62.300 0.064 0.000 0.940 413 V CB 1.361 33.214 31.823 0.051 0.000 1.021 413 V HN 1.196 nan 8.190 nan 0.000 0.426 414 A N 4.190 127.052 122.820 0.070 0.000 2.287 414 A HA 0.938 5.258 4.320 -0.000 0.000 0.317 414 A C -0.708 176.943 177.584 0.112 0.000 1.220 414 A CA -0.474 51.602 52.037 0.065 0.000 0.835 414 A CB 0.874 19.869 19.000 -0.009 0.000 1.180 414 A HN 1.540 nan 8.150 nan 0.000 0.500 415 I N 0.336 121.011 120.570 0.176 0.000 2.474 415 I HA 0.732 4.902 4.170 -0.000 0.000 0.294 415 I C -1.109 175.131 176.117 0.206 0.000 1.005 415 I CA -0.806 60.608 61.300 0.189 0.000 1.113 415 I CB 1.485 39.617 38.000 0.219 0.000 1.289 415 I HN 0.548 nan 8.210 nan 0.000 0.436 416 Y N 6.286 126.615 120.300 0.048 0.000 2.352 416 Y HA 0.562 5.111 4.550 -0.000 0.000 0.339 416 Y C -1.077 174.854 175.900 0.051 0.000 0.992 416 Y CA -1.153 56.967 58.100 0.035 0.000 1.100 416 Y CB 1.245 39.710 38.460 0.008 0.000 1.192 416 Y HN 0.786 nan 8.280 nan 0.000 0.458 417 N N 6.062 124.576 118.700 -0.311 0.000 2.626 417 N HA 0.138 4.877 4.740 -0.000 0.000 0.242 417 N C 0.436 175.643 175.510 -0.505 0.000 1.005 417 N CA -0.020 52.823 53.050 -0.344 0.000 0.905 417 N CB 0.813 39.251 38.487 -0.083 0.000 1.128 417 N HN 0.984 nan 8.380 nan 0.000 0.512 418 E N 1.451 121.238 120.200 -0.689 0.000 2.049 418 E HA -0.236 4.114 4.350 -0.000 0.000 0.198 418 E C 0.353 176.871 176.600 -0.137 0.000 1.007 418 E CA 1.535 57.678 56.400 -0.429 0.000 0.809 418 E CB 0.362 29.904 29.700 -0.264 0.000 0.749 418 E HN 0.558 nan 8.360 nan 0.000 0.450 419 E N -0.055 120.079 120.200 -0.110 0.000 2.158 419 E HA -0.016 4.334 4.350 -0.000 0.000 0.191 419 E C 0.387 176.971 176.600 -0.026 0.000 0.982 419 E CA 1.301 57.674 56.400 -0.045 0.000 0.823 419 E CB 0.454 30.131 29.700 -0.038 0.000 0.766 419 E HN 0.155 nan 8.360 nan 0.000 0.468 420 K N -2.094 118.286 120.400 -0.033 0.000 0.000 420 K HA 0.579 4.899 4.320 -0.000 0.000 0.000 420 K C -0.209 176.400 176.600 0.015 0.000 0.000 420 K CA 0.026 nan 56.287 nan 0.000 0.000 420 K CB -1.022 nan 32.500 nan 0.000 0.000 420 K HN 0.236 nan 8.250 nan 0.000 0.000 421 E N 0.411 120.636 120.200 0.042 0.000 2.149 421 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 421 E C -0.148 176.558 176.600 0.176 0.000 1.384 421 E CA 2.168 58.663 56.400 0.157 0.000 0.698 421 E CB -2.154 nan 29.700 nan 0.000 1.086 421 E HN 0.698 nan 8.360 nan 0.000 0.338 422 E N -1.429 118.887 120.200 0.193 0.000 2.272 422 E HA 0.666 5.016 4.350 -0.000 0.000 0.269 422 E C -0.809 175.935 176.600 0.241 0.000 0.877 422 E CA -0.962 55.538 56.400 0.166 0.000 0.755 422 E CB 2.579 32.314 29.700 0.058 0.000 1.192 422 E HN 0.264 nan 8.360 nan 0.000 0.422 423 V N 2.051 122.079 119.914 0.190 0.000 2.540 423 V HA 0.437 4.557 4.120 -0.000 0.000 0.302 423 V C -0.426 175.629 176.094 -0.064 0.000 1.035 423 V CA -0.622 61.743 62.300 0.110 0.000 0.873 423 V CB 1.956 33.802 31.823 0.039 0.000 0.992 423 V HN 0.694 nan 8.190 nan 0.000 0.428 424 T N 5.871 120.372 114.554 -0.089 0.000 2.809 424 T HA 0.666 5.016 4.350 -0.000 0.000 0.284 424 T C -0.481 174.019 174.700 -0.333 0.000 0.992 424 T CA -0.163 61.760 62.100 -0.295 0.000 0.957 424 T CB 1.184 69.859 68.868 -0.321 0.000 0.942 424 T HN 0.346 nan 8.240 nan 0.000 0.439 425 I N 3.675 123.978 120.570 -0.445 0.000 2.330 425 I HA 0.395 4.564 4.170 -0.000 0.000 0.289 425 I C -0.687 175.104 176.117 -0.542 0.000 1.001 425 I CA -0.476 60.615 61.300 -0.348 0.000 1.193 425 I CB 0.587 38.428 38.000 -0.264 0.000 1.345 425 I HN 0.525 nan 8.210 nan 0.000 0.461 426 F N 5.683 125.481 119.950 -0.254 0.000 2.411 426 F HA 0.734 5.261 4.527 -0.000 0.000 0.350 426 F C 0.568 176.170 175.800 -0.330 0.000 1.114 426 F CA -0.385 57.377 58.000 -0.395 0.000 1.135 426 F CB 1.112 39.947 39.000 -0.274 0.000 1.120 426 F HN 0.452 nan 8.300 nan 0.000 0.495 427 A N 2.573 125.227 122.820 -0.277 0.000 2.475 427 A HA 0.906 5.226 4.320 -0.000 0.000 0.301 427 A C -1.639 175.892 177.584 -0.089 0.000 1.059 427 A CA -0.748 51.203 52.037 -0.143 0.000 0.710 427 A CB 1.755 20.671 19.000 -0.140 0.000 1.288 427 A HN 0.501 nan 8.150 nan 0.000 0.408 428 V N 2.565 122.490 119.914 0.019 0.000 2.668 428 V HA 0.316 4.435 4.120 -0.000 0.000 0.304 428 V C -0.422 175.716 176.094 0.073 0.000 1.071 428 V CA -0.859 61.497 62.300 0.093 0.000 0.894 428 V CB 1.941 33.867 31.823 0.172 0.000 1.008 428 V HN 0.962 nan 8.190 nan 0.000 0.425 429 N N 2.898 121.648 118.700 0.082 0.000 2.524 429 N HA 0.374 5.114 4.740 -0.000 0.000 0.283 429 N C -0.267 175.282 175.510 0.065 0.000 1.142 429 N CA -0.912 52.180 53.050 0.070 0.000 0.984 429 N CB 1.107 39.633 38.487 0.066 0.000 1.155 429 N HN 0.694 nan 8.380 nan 0.000 0.467 430 R N 1.334 121.859 120.500 0.041 0.000 3.745 430 R HA -0.220 4.119 4.340 -0.000 0.000 0.146 430 R C 0.094 176.424 176.300 0.051 0.000 0.603 430 R CA 0.322 56.440 56.100 0.030 0.000 0.844 430 R CB -0.755 29.623 30.300 0.130 0.000 1.082 430 R HN 0.502 nan 8.270 nan 0.000 0.279 431 N N 3.516 122.208 118.700 -0.015 0.000 2.097 431 N HA 0.066 4.806 4.740 -0.000 0.000 0.235 431 N C 0.228 175.653 175.510 -0.143 0.000 1.252 431 N CA 0.565 53.527 53.050 -0.146 0.000 0.944 431 N CB -0.387 38.013 38.487 -0.145 0.000 1.005 431 N HN 0.791 nan 8.380 nan 0.000 0.399 432 I N -1.782 118.688 120.570 -0.166 0.000 6.211 432 I HA -0.251 3.918 4.170 -0.000 0.000 0.126 432 I C -1.454 174.290 176.117 -0.622 0.000 1.376 432 I CA 0.622 61.656 61.300 -0.443 0.000 2.526 432 I CB -1.272 36.298 38.000 -0.717 0.000 2.573 432 I HN 0.512 nan 8.210 nan 0.000 0.296 433 H N 3.281 122.338 119.070 -0.020 0.000 2.600 433 H HA 0.782 5.338 4.556 -0.000 0.000 0.224 433 H C 0.340 175.675 175.328 0.012 0.000 1.413 433 H CA 0.223 56.276 56.048 0.008 0.000 1.401 433 H CB 0.287 30.055 29.762 0.011 0.000 1.772 433 H HN 0.854 nan 8.280 nan 0.000 0.528 434 E N -0.065 120.196 120.200 0.102 0.000 2.621 434 E HA -0.010 4.340 4.350 -0.000 0.000 0.286 434 E C -0.381 176.244 176.600 0.043 0.000 1.101 434 E CA 0.067 56.496 56.400 0.050 0.000 2.100 434 E CB -0.202 nan 29.700 nan 0.000 2.411 434 E HN 0.324 nan 8.360 nan 0.000 1.091 435 D N 2.004 122.431 120.400 0.045 0.000 2.586 435 D HA 0.259 4.899 4.640 -0.000 0.000 0.234 435 D C 0.680 177.001 176.300 0.036 0.000 1.132 435 D CA 1.141 55.164 54.000 0.038 0.000 0.860 435 D CB 0.485 41.304 40.800 0.032 0.000 1.159 435 D HN 0.665 nan 8.370 nan 0.000 0.490 436 I N -1.503 119.088 120.570 0.036 0.000 2.865 436 I HA 0.498 4.668 4.170 -0.000 0.000 0.302 436 I C -0.606 175.528 176.117 0.029 0.000 1.140 436 I CA -1.252 60.068 61.300 0.033 0.000 1.021 436 I CB 1.789 39.811 38.000 0.036 0.000 1.233 436 I HN 0.065 nan 8.210 nan 0.000 0.427 437 V N 5.109 125.038 119.914 0.024 0.000 2.398 437 V HA 0.474 4.594 4.120 -0.000 0.000 0.286 437 V C -0.850 175.254 176.094 0.017 0.000 1.026 437 V CA -0.596 61.717 62.300 0.022 0.000 0.868 437 V CB 1.619 33.454 31.823 0.019 0.000 0.982 437 V HN 0.629 nan 8.190 nan 0.000 0.443 438 L N 7.591 128.823 121.223 0.014 0.000 2.259 438 L HA 0.653 4.993 4.340 -0.000 0.000 0.288 438 L C -0.017 176.855 176.870 0.004 0.000 1.051 438 L CA 0.302 55.143 54.840 0.003 0.000 0.824 438 L CB 0.949 42.999 42.059 -0.014 0.000 1.206 438 L HN 0.700 nan 8.230 nan 0.000 0.429 439 V N 3.738 123.656 119.914 0.006 0.000 2.322 439 V HA 0.486 4.606 4.120 -0.000 0.000 0.258 439 V C 0.322 176.419 176.094 0.005 0.000 1.074 439 V CA 0.006 62.313 62.300 0.011 0.000 0.909 439 V CB 0.321 nan 31.823 nan 0.000 1.090 439 V HN 0.755 nan 8.190 nan 0.000 0.486 440 S N 3.071 118.775 115.700 0.008 0.000 2.461 440 S HA 0.429 4.899 4.470 -0.000 0.000 0.322 440 S C -0.465 174.148 174.600 0.021 0.000 1.063 440 S CA -0.605 57.593 58.200 -0.003 0.000 1.120 440 S CB 1.234 64.412 63.200 -0.036 0.000 0.968 440 S HN 0.779 nan 8.310 nan 0.000 0.467 441 D N 2.740 123.146 120.400 0.010 0.000 2.346 441 D HA 0.125 4.765 4.640 -0.000 0.000 0.260 441 D C -0.397 175.906 176.300 0.004 0.000 1.252 441 D CA 0.023 54.032 54.000 0.015 0.000 0.895 441 D CB 0.973 41.771 40.800 -0.003 0.000 1.097 441 D HN 0.334 nan 8.370 nan 0.000 0.489 442 V N 4.634 124.572 119.914 0.039 0.000 2.498 442 V HA 0.530 4.650 4.120 -0.000 0.000 0.279 442 V C 1.382 177.455 176.094 -0.035 0.000 1.048 442 V CA 0.405 62.701 62.300 -0.006 0.000 0.967 442 V CB 1.042 32.886 31.823 0.034 0.000 0.988 442 V HN 0.719 nan 8.190 nan 0.000 0.473 443 R N 4.645 125.093 120.500 -0.086 0.000 2.036 443 R HA 0.203 4.543 4.340 -0.000 0.000 0.216 443 R C 2.032 178.266 176.300 -0.110 0.000 1.241 443 R CA 1.305 57.353 56.100 -0.088 0.000 0.964 443 R CB -1.699 nan 30.300 nan 0.000 0.828 443 R HN 0.994 nan 8.270 nan 0.000 0.468 444 G N 0.803 109.504 108.800 -0.164 0.000 2.414 444 G HA2 0.034 3.993 3.960 -0.000 0.000 0.215 444 G HA3 0.034 3.993 3.960 -0.000 0.000 0.215 444 G C 0.721 175.504 174.900 -0.194 0.000 1.188 444 G CA 0.815 45.811 45.100 -0.173 0.000 0.783 444 G HN 0.453 nan 8.290 nan 0.000 0.537 445 M N 1.557 120.959 119.600 -0.329 0.000 2.574 445 M HA 0.412 4.892 4.480 -0.000 0.000 0.349 445 M C 0.718 176.932 176.300 -0.144 0.000 1.735 445 M CA 1.184 56.205 55.300 -0.465 0.000 1.178 445 M CB -0.304 31.652 32.600 -1.074 0.000 2.070 445 M HN 0.544 nan 8.290 nan 0.000 0.460 446 K N 0.176 120.566 120.400 -0.017 0.000 3.218 446 K HA 0.306 4.626 4.320 -0.000 0.000 0.260 446 K C -0.116 176.644 176.600 0.266 0.000 1.233 446 K CA 1.497 57.800 56.287 0.026 0.000 0.784 446 K CB -2.848 nan 32.500 nan 0.000 1.464 446 K HN 1.284 nan 8.250 nan 0.000 0.526 447 D N -2.426 118.161 120.400 0.312 0.000 5.307 447 D HA 0.529 5.169 4.640 -0.000 0.000 0.281 447 D C -0.256 176.195 176.300 0.251 0.000 1.916 447 D CA 0.589 54.817 54.000 0.380 0.000 0.760 447 D CB -0.430 nan 40.800 nan 0.000 2.791 447 D HN 1.851 nan 8.370 nan 0.000 0.444 448 Y N 0.544 120.905 120.300 0.102 0.000 2.318 448 Y HA 0.493 5.043 4.550 -0.000 0.000 0.317 448 Y C -1.129 174.932 175.900 0.268 0.000 1.290 448 Y CA -0.731 57.466 58.100 0.163 0.000 1.177 448 Y CB 1.569 40.149 38.460 0.200 0.000 1.307 448 Y HN 0.861 nan 8.280 nan 0.000 0.428 449 R N 3.944 124.530 120.500 0.143 0.000 2.664 449 R HA 0.725 5.065 4.340 -0.000 0.000 0.286 449 R C -1.489 174.871 176.300 0.100 0.000 0.967 449 R CA -1.253 54.950 56.100 0.171 0.000 0.933 449 R CB 2.063 32.390 30.300 0.046 0.000 1.146 449 R HN 0.528 nan 8.270 nan 0.000 0.468 450 L N 3.234 124.542 121.223 0.143 0.000 2.462 450 L HA 0.100 4.439 4.340 -0.000 0.000 0.272 450 L C 0.107 176.955 176.870 -0.036 0.000 1.166 450 L CA 0.264 55.102 54.840 -0.004 0.000 0.880 450 L CB 0.434 42.526 42.059 0.054 0.000 1.142 450 L HN 0.836 nan 8.230 nan 0.000 0.473 451 L N 3.771 124.938 121.223 -0.094 0.000 2.116 451 L HA 0.232 4.572 4.340 -0.000 0.000 0.200 451 L C 0.639 177.458 176.870 -0.084 0.000 1.084 451 L CA 0.868 55.653 54.840 -0.092 0.000 0.766 451 L CB -0.130 41.855 42.059 -0.124 0.000 0.930 451 L HN 0.881 nan 8.230 nan 0.000 0.453 452 E N -2.312 117.816 120.200 -0.120 0.000 2.432 452 E HA 0.183 4.533 4.350 -0.000 0.000 0.279 452 E C -1.177 175.365 176.600 -0.097 0.000 1.099 452 E CA -0.820 55.528 56.400 -0.087 0.000 0.859 452 E CB 1.305 30.951 29.700 -0.090 0.000 1.402 452 E HN -0.053 nan 8.360 nan 0.000 0.451 453 H N 1.234 120.206 119.070 -0.163 0.000 2.761 453 H HA 0.394 4.950 4.556 -0.000 0.000 0.263 453 H C -1.324 173.902 175.328 -0.170 0.000 1.292 453 H CA -0.754 55.183 56.048 -0.185 0.000 1.540 453 H CB -0.024 29.655 29.762 -0.138 0.000 1.569 453 H HN 0.519 nan 8.280 nan 0.000 0.510 454 I N 4.583 125.147 120.570 -0.010 0.000 2.396 454 I HA 0.129 4.299 4.170 -0.000 0.000 0.289 454 I C 0.417 176.551 176.117 0.029 0.000 1.056 454 I CA -0.333 60.950 61.300 -0.027 0.000 1.365 454 I CB 1.153 39.055 38.000 -0.164 0.000 1.407 454 I HN 0.139 nan 8.210 nan 0.000 0.509 455 V N 7.816 127.781 119.914 0.084 0.000 2.881 455 V HA 0.546 4.666 4.120 -0.000 0.000 0.316 455 V C -0.833 175.381 176.094 0.199 0.000 1.070 455 V CA -0.750 61.623 62.300 0.122 0.000 0.976 455 V CB 2.420 34.268 31.823 0.041 0.000 1.038 455 V HN 0.530 nan 8.190 nan 0.000 0.446 456 L N 5.335 126.764 121.223 0.342 0.000 2.485 456 L HA 0.579 4.919 4.340 -0.000 0.000 0.260 456 L C -0.483 176.654 176.870 0.446 0.000 0.998 456 L CA 0.190 55.278 54.840 0.414 0.000 0.883 456 L CB 1.126 43.597 42.059 0.686 0.000 1.196 456 L HN 0.844 nan 8.230 nan 0.000 0.443 457 E N 2.027 122.316 120.200 0.149 0.000 2.416 457 E HA 0.718 5.068 4.350 -0.000 0.000 0.273 457 E C -1.432 174.953 176.600 -0.358 0.000 0.935 457 E CA -1.117 55.303 56.400 0.034 0.000 0.784 457 E CB 2.650 32.406 29.700 0.093 0.000 1.301 457 E HN 0.506 nan 8.360 nan 0.000 0.454 458 H N -0.712 117.995 119.070 -0.605 0.000 3.043 458 H HA 0.136 4.692 4.556 -0.000 0.000 0.317 458 H C -1.524 173.666 175.328 -0.229 0.000 1.321 458 H CA -0.435 55.292 56.048 -0.533 0.000 1.243 458 H CB 1.794 31.028 29.762 -0.880 0.000 1.924 458 H HN 0.552 nan 8.280 nan 0.000 0.527 459 Q N 1.589 121.331 119.800 -0.096 0.000 2.206 459 Q HA 0.195 4.535 4.340 -0.000 0.000 0.265 459 Q C -0.247 175.859 176.000 0.177 0.000 0.866 459 Q CA -0.061 55.785 55.803 0.072 0.000 1.073 459 Q CB 0.907 29.652 28.738 0.011 0.000 1.165 459 Q HN 0.499 nan 8.270 nan 0.000 0.465 460 D N -0.107 120.510 120.400 0.361 0.000 2.479 460 D HA 0.159 4.799 4.640 -0.000 0.000 0.221 460 D C 1.005 177.463 176.300 0.263 0.000 1.104 460 D CA 0.052 54.223 54.000 0.285 0.000 0.849 460 D CB 0.431 41.401 40.800 0.283 0.000 1.072 460 D HN 0.244 nan 8.370 nan 0.000 0.502 461 L N -0.502 120.947 121.223 0.378 0.000 4.775 461 L HA -0.370 3.970 4.340 -0.000 0.000 0.388 461 L C 1.319 178.371 176.870 0.304 0.000 1.571 461 L CA 1.976 57.072 54.840 0.427 0.000 2.261 461 L CB -1.120 41.117 42.059 0.295 0.000 1.390 461 L HN 0.127 nan 8.230 nan 0.000 0.654 462 K N 0.083 120.608 120.400 0.208 0.000 2.444 462 K HA 0.277 4.597 4.320 -0.000 0.000 0.193 462 K C 0.625 177.291 176.600 0.111 0.000 1.024 462 K CA -0.023 56.359 56.287 0.159 0.000 1.077 462 K CB 0.240 32.816 32.500 0.127 0.000 0.833 462 K HN 0.241 nan 8.250 nan 0.000 0.517 463 I N 2.106 122.724 120.570 0.081 0.000 2.634 463 I HA -0.000 4.170 4.170 -0.000 0.000 0.284 463 I C 0.213 176.335 176.117 0.007 0.000 1.124 463 I CA 0.153 61.434 61.300 -0.031 0.000 1.417 463 I CB 0.471 38.289 38.000 -0.304 0.000 1.396 463 I HN 0.050 nan 8.210 nan 0.000 0.571 464 R N 4.406 124.902 120.500 -0.006 0.000 2.939 464 R HA 0.457 4.797 4.340 -0.000 0.000 0.254 464 R C -0.573 175.749 176.300 0.036 0.000 1.123 464 R CA -0.713 55.410 56.100 0.039 0.000 1.020 464 R CB 0.772 31.075 30.300 0.004 0.000 1.206 464 R HN 0.506 nan 8.270 nan 0.000 0.491 465 N N -0.866 117.903 118.700 0.116 0.000 2.491 465 N HA 0.615 5.355 4.740 -0.000 0.000 0.279 465 N C -0.951 174.413 175.510 -0.244 0.000 1.236 465 N CA -0.563 52.529 53.050 0.069 0.000 0.982 465 N CB 1.543 40.209 38.487 0.298 0.000 1.194 465 N HN 0.401 nan 8.380 nan 0.000 0.582 466 S N -1.796 113.474 115.700 -0.716 0.000 2.611 466 S HA 0.141 4.611 4.470 -0.000 0.000 0.270 466 S C 0.317 174.020 174.600 -1.495 0.000 1.131 466 S CA -0.633 56.769 58.200 -1.329 0.000 0.826 466 S CB 0.468 63.302 63.200 -0.610 0.000 1.095 466 S HN 0.200 nan 8.310 nan 0.000 0.461 467 V N 2.587 121.565 119.914 -1.561 0.000 2.688 467 V HA -0.042 4.078 4.120 -0.000 0.000 0.256 467 V C 0.804 176.646 176.094 -0.420 0.000 1.084 467 V CA 2.169 63.940 62.300 -0.881 0.000 1.103 467 V CB -0.609 30.920 31.823 -0.490 0.000 0.688 467 V HN 0.720 nan 8.190 nan 0.000 0.480 468 N N 1.098 119.567 118.700 -0.384 0.000 2.558 468 N HA 0.355 5.095 4.740 -0.000 0.000 0.281 468 N C 0.482 175.874 175.510 -0.196 0.000 1.219 468 N CA 0.733 53.646 53.050 -0.229 0.000 0.942 468 N CB 0.633 39.011 38.487 -0.182 0.000 1.241 468 N HN 0.511 nan 8.380 nan 0.000 0.511 469 G N 1.863 110.543 108.800 -0.201 0.000 2.862 469 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.686 469 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.686 469 G C -0.417 174.399 174.900 -0.139 0.000 1.134 469 G CA -0.242 44.773 45.100 -0.143 0.000 0.791 469 G HN 0.517 nan 8.290 nan 0.000 0.592 470 E N -0.194 119.985 120.200 -0.036 0.000 5.193 470 E HA 0.010 4.360 4.350 -0.000 0.000 0.181 470 E C -0.450 176.190 176.600 0.066 0.000 1.240 470 E CA 1.440 57.870 56.400 0.050 0.000 1.194 470 E CB -1.234 28.456 29.700 -0.015 0.000 1.015 470 E HN 1.352 nan 8.360 nan 0.000 0.369 471 E N 2.729 123.091 120.200 0.271 0.000 2.782 471 E HA 0.420 4.770 4.350 -0.000 0.000 0.372 471 E C -1.300 175.466 176.600 0.277 0.000 0.944 471 E CA -0.014 56.630 56.400 0.406 0.000 0.749 471 E CB 0.939 30.763 29.700 0.206 0.000 1.453 471 E HN 0.605 nan 8.360 nan 0.000 0.402 472 V N 3.282 123.382 119.914 0.309 0.000 3.242 472 V HA -0.182 3.938 4.120 -0.000 0.000 0.467 472 V C -1.423 174.955 176.094 0.473 0.000 0.682 472 V CA 0.990 63.427 62.300 0.228 0.000 2.006 472 V CB -1.562 30.413 31.823 0.253 0.000 2.468 472 V HN 0.946 nan 8.190 nan 0.000 0.497 473 Y N 3.751 124.129 120.300 0.131 0.000 2.026 473 Y HA 0.471 5.021 4.550 -0.000 0.000 0.313 473 Y C -2.999 172.801 175.900 -0.167 0.000 1.343 473 Y CA -1.193 56.839 58.100 -0.113 0.000 1.671 473 Y CB 0.223 38.691 38.460 0.013 0.000 1.238 473 Y HN 0.476 nan 8.280 nan 0.000 0.397 474 P HA 0.086 nan 4.420 nan 0.000 0.261 474 P C -1.018 176.259 177.300 -0.038 0.000 1.183 474 P CA 0.385 63.465 63.100 -0.035 0.000 0.761 474 P CB 0.914 32.707 31.700 0.156 0.000 0.785 475 K N 2.833 123.193 120.400 -0.066 0.000 2.235 475 K HA 0.229 4.549 4.320 -0.000 0.000 0.266 475 K C 0.514 177.110 176.600 -0.006 0.000 0.980 475 K CA -0.565 55.690 56.287 -0.054 0.000 0.849 475 K CB 1.197 33.621 32.500 -0.126 0.000 1.098 475 K HN 0.330 nan 8.250 nan 0.000 0.445 476 N N 2.607 121.316 118.700 0.014 0.000 2.671 476 N HA 0.041 4.781 4.740 -0.000 0.000 0.274 476 N C -0.948 174.550 175.510 -0.021 0.000 1.188 476 N CA 0.207 53.264 53.050 0.011 0.000 1.065 476 N CB 0.351 38.854 38.487 0.027 0.000 1.415 476 N HN 0.468 nan 8.380 nan 0.000 0.511 477 S N 1.436 117.103 115.700 -0.054 0.000 2.766 477 S HA 0.601 5.071 4.470 -0.000 0.000 0.307 477 S C -0.937 173.552 174.600 -0.185 0.000 1.121 477 S CA -0.548 57.587 58.200 -0.109 0.000 0.980 477 S CB 1.559 64.682 63.200 -0.128 0.000 1.159 477 S HN 0.611 nan 8.310 nan 0.000 0.546 478 D N -0.311 119.973 120.400 -0.193 0.000 10.478 478 D HA 0.046 4.686 4.640 -0.000 0.000 0.333 478 D C -0.640 175.588 176.300 -0.120 0.000 3.155 478 D CA 0.846 54.698 54.000 -0.247 0.000 2.684 478 D CB -0.297 40.147 40.800 -0.594 0.000 1.281 478 D HN 0.476 nan 8.370 nan 0.000 0.955 479 K N -1.500 118.847 120.400 -0.087 0.000 3.343 479 K HA -0.135 4.185 4.320 -0.000 0.000 0.280 479 K C 0.422 176.991 176.600 -0.053 0.000 1.330 479 K CA 1.620 57.848 56.287 -0.099 0.000 0.824 479 K CB -1.678 30.730 32.500 -0.154 0.000 1.603 479 K HN 0.527 nan 8.250 nan 0.000 0.518 480 S N -0.758 114.956 115.700 0.023 0.000 3.164 480 S HA 0.648 5.118 4.470 -0.000 0.000 0.198 480 S C 0.929 175.567 174.600 0.063 0.000 1.108 480 S CA 0.105 58.363 58.200 0.097 0.000 1.501 480 S CB 0.810 64.083 63.200 0.122 0.000 0.788 480 S HN 1.030 nan 8.310 nan 0.000 0.552 481 S N -0.489 115.257 115.700 0.077 0.000 3.848 481 S HA 0.702 5.172 4.470 -0.000 0.000 0.266 481 S C -1.576 173.145 174.600 0.201 0.000 1.050 481 S CA -0.548 57.721 58.200 0.114 0.000 1.322 481 S CB 0.549 63.803 63.200 0.090 0.000 1.264 481 S HN 0.402 nan 8.310 nan 0.000 0.751 482 F N 1.894 121.841 119.950 -0.005 0.000 2.579 482 F HA 0.637 5.164 4.527 -0.000 0.000 0.325 482 F C -1.216 174.583 175.800 -0.002 0.000 1.162 482 F CA -1.137 56.860 58.000 -0.005 0.000 0.946 482 F CB 1.209 40.209 39.000 -0.001 0.000 1.211 482 F HN 0.672 nan 8.300 nan 0.000 0.447 483 D N 1.575 121.748 120.400 -0.377 0.000 2.494 483 D HA 0.300 4.940 4.640 -0.000 0.000 0.256 483 D C -1.164 174.712 176.300 -0.706 0.000 1.197 483 D CA -0.213 53.540 54.000 -0.412 0.000 1.096 483 D CB 0.482 41.162 40.800 -0.199 0.000 1.191 483 D HN 0.504 nan 8.370 nan 0.000 0.608 484 D N -1.511 118.649 120.400 -0.400 0.000 2.440 484 D HA 0.511 5.151 4.640 -0.000 0.000 0.239 484 D C -0.567 175.612 176.300 -0.200 0.000 1.084 484 D CA -1.020 52.774 54.000 -0.343 0.000 0.843 484 D CB 1.443 42.113 40.800 -0.216 0.000 1.097 484 D HN 0.410 nan 8.370 nan 0.000 0.531 485 G N 1.646 110.352 108.800 -0.158 0.000 3.986 485 G HA2 0.606 4.566 3.960 -0.000 0.000 0.343 485 G HA3 0.606 4.566 3.960 -0.000 0.000 0.343 485 G C -0.279 174.631 174.900 0.016 0.000 1.413 485 G CA -0.071 44.914 45.100 -0.192 0.000 1.143 485 G HN 0.817 nan 8.290 nan 0.000 0.488 489 S N 2.956 118.682 115.700 0.043 0.000 2.689 489 S HA 0.455 4.924 4.470 -0.000 0.000 0.274 489 S C -0.627 174.008 174.600 0.059 0.000 1.176 489 S CA -0.639 57.603 58.200 0.069 0.000 1.014 489 S CB 1.395 64.634 63.200 0.065 0.000 1.071 489 S HN 0.758 nan 8.310 nan 0.000 0.478 490 M N 4.064 123.693 119.600 0.049 0.000 2.200 490 M HA 0.415 4.895 4.480 -0.000 0.000 0.355 490 M C -1.371 174.956 176.300 0.045 0.000 1.283 490 M CA -0.017 55.302 55.300 0.032 0.000 1.124 490 M CB 0.227 32.832 32.600 0.010 0.000 1.625 490 M HN 0.529 nan 8.290 nan 0.000 0.463 491 L N 4.855 126.106 121.223 0.045 0.000 2.316 491 L HA 0.540 4.880 4.340 -0.000 0.000 0.280 491 L C 0.547 177.448 176.870 0.052 0.000 1.006 491 L CA -0.880 53.995 54.840 0.058 0.000 0.836 491 L CB 0.923 43.013 42.059 0.051 0.000 1.221 491 L HN 0.842 nan 8.230 nan 0.000 0.418 492 R N 1.688 122.220 120.500 0.053 0.000 2.811 492 R HA 0.452 4.791 4.340 -0.000 0.000 0.265 492 R C 1.492 177.838 176.300 0.076 0.000 1.026 492 R CA 1.016 57.148 56.100 0.053 0.000 1.142 492 R CB -0.435 29.891 30.300 0.044 0.000 1.027 492 R HN 0.842 nan 8.270 nan 0.000 0.465 493 R N 0.184 120.725 120.500 0.069 0.000 2.562 493 R HA -0.081 4.259 4.340 -0.000 0.000 0.226 493 R C 1.508 177.855 176.300 0.079 0.000 0.907 493 R CA 3.130 59.274 56.100 0.073 0.000 0.366 493 R CB -1.694 28.659 30.300 0.088 0.000 0.654 493 R HN 2.548 nan 8.270 nan 0.000 0.255 494 A N 0.537 123.438 122.820 0.135 0.000 2.323 494 A HA 0.610 4.930 4.320 -0.000 0.000 0.305 494 A C -0.131 177.611 177.584 0.263 0.000 1.275 494 A CA 0.381 52.507 52.037 0.149 0.000 0.804 494 A CB 1.061 20.137 19.000 0.126 0.000 1.152 494 A HN 1.814 nan 8.150 nan 0.000 0.487 495 S N 1.906 117.743 115.700 0.227 0.000 2.556 495 S HA 0.714 5.184 4.470 -0.000 0.000 0.271 495 S C -0.999 173.792 174.600 0.318 0.000 1.135 495 S CA -0.667 57.725 58.200 0.320 0.000 0.858 495 S CB 1.396 64.742 63.200 0.244 0.000 1.114 495 S HN 1.133 nan 8.310 nan 0.000 0.468 496 W N 2.867 124.286 121.300 0.198 0.000 2.391 496 W HA 0.587 5.246 4.660 -0.000 0.000 0.311 496 W C -1.931 174.679 176.519 0.153 0.000 1.087 496 W CA -0.485 56.961 57.345 0.167 0.000 1.209 496 W CB 1.006 30.588 29.460 0.204 0.000 1.273 496 W HN 0.809 nan 8.180 nan 0.000 0.482 497 N N 3.702 122.095 118.700 -0.512 0.000 2.284 497 N HA 0.486 5.226 4.740 -0.000 0.000 0.300 497 N C -1.472 173.523 175.510 -0.858 0.000 1.047 497 N CA -0.652 52.104 53.050 -0.490 0.000 0.821 497 N CB 2.519 40.876 38.487 -0.217 0.000 1.337 497 N HN 0.097 nan 8.380 nan 0.000 0.482 498 V N 2.623 122.098 119.914 -0.732 0.000 2.380 498 V HA 0.455 4.575 4.120 -0.000 0.000 0.286 498 V C -0.618 175.037 176.094 -0.732 0.000 1.015 498 V CA -0.539 61.278 62.300 -0.806 0.000 0.834 498 V CB 0.555 31.958 31.823 -0.700 0.000 1.009 498 V HN 0.589 nan 8.190 nan 0.000 0.428 499 I N 5.364 125.479 120.570 -0.758 0.000 2.362 499 I HA 0.567 4.736 4.170 -0.000 0.000 0.289 499 I C 0.219 176.020 176.117 -0.526 0.000 0.994 499 I CA -0.426 60.474 61.300 -0.668 0.000 1.158 499 I CB 1.397 38.988 38.000 -0.681 0.000 1.315 499 I HN 0.421 nan 8.210 nan 0.000 0.451 500 R N 6.518 126.758 120.500 -0.435 0.000 2.589 500 R HA 0.810 5.150 4.340 -0.000 0.000 0.293 500 R C -1.097 175.041 176.300 -0.270 0.000 0.963 500 R CA -0.783 55.099 56.100 -0.364 0.000 0.905 500 R CB 2.358 32.420 30.300 -0.397 0.000 1.144 500 R HN 0.523 nan 8.270 nan 0.000 0.459 501 I N 0.380 120.826 120.570 -0.208 0.000 2.647 501 I HA 0.728 4.898 4.170 -0.000 0.000 0.295 501 I C 0.223 176.319 176.117 -0.036 0.000 1.078 501 I CA -0.753 60.458 61.300 -0.147 0.000 1.048 501 I CB 2.557 40.425 38.000 -0.220 0.000 1.239 501 I HN 0.746 nan 8.210 nan 0.000 0.421 502 G N 0.000 108.719 108.800 -0.136 0.000 5.446 502 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 502 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 502 G CA 0.000 44.892 45.100 -0.347 0.000 0.502 502 G HN 0.000 nan 8.290 nan 0.000 0.925