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 1ui7_1_A DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNYDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQAIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.587 177.584 0.004 0.000 1.274 9 A CA 0.000 52.041 52.037 0.007 0.000 0.836 9 A CB 0.000 19.009 19.000 0.015 0.000 0.831 10 S N 2.000 117.711 115.700 0.018 0.000 2.549 10 S HA 0.407 4.848 4.470 -0.047 0.000 0.283 10 S C -1.398 173.204 174.600 0.003 0.000 1.320 10 S CA -0.387 57.837 58.200 0.041 0.000 1.058 10 S CB 0.779 64.031 63.200 0.088 0.000 0.882 10 S HN 0.397 nan 8.310 nan 0.000 0.498 11 P HA 0.084 nan 4.420 nan 0.000 0.247 11 P C 0.040 177.017 177.300 -0.539 0.000 1.225 11 P CA 0.554 63.485 63.100 -0.282 0.000 0.768 11 P CB -0.177 31.309 31.700 -0.356 0.000 1.020 12 F N 0.288 120.172 119.950 -0.111 0.000 2.661 12 F HA 0.227 4.725 4.527 -0.048 0.000 0.306 12 F C 1.501 177.244 175.800 -0.095 0.000 1.094 12 F CA -0.736 57.152 58.000 -0.187 0.000 1.254 12 F CB 0.075 38.956 39.000 -0.198 0.000 1.040 12 F HN -0.172 nan 8.300 nan 0.000 0.562 13 R N 0.664 121.199 120.500 0.059 0.000 2.784 13 R HA 0.289 4.600 4.340 -0.047 0.000 0.266 13 R C -0.179 176.150 176.300 0.048 0.000 1.044 13 R CA -0.466 55.676 56.100 0.069 0.000 1.151 13 R CB 0.432 30.763 30.300 0.052 0.000 1.037 13 R HN 0.124 nan 8.270 nan 0.000 0.478 14 L N 1.460 122.725 121.223 0.070 0.000 2.461 14 L HA 0.159 4.471 4.340 -0.047 0.000 0.272 14 L C 0.670 177.585 176.870 0.075 0.000 1.197 14 L CA -0.348 54.535 54.840 0.072 0.000 0.836 14 L CB 0.725 42.826 42.059 0.070 0.000 1.105 14 L HN 0.843 nan 8.230 nan 0.000 0.477 15 A N 2.981 125.858 122.820 0.095 0.000 2.520 15 A HA 0.235 4.527 4.320 -0.047 0.000 0.245 15 A C 0.328 177.993 177.584 0.135 0.000 1.072 15 A CA 0.056 52.203 52.037 0.185 0.000 0.761 15 A CB 0.415 19.580 19.000 0.274 0.000 1.004 15 A HN 0.678 nan 8.150 nan 0.000 0.499 16 S N 1.501 117.273 115.700 0.121 0.000 2.652 16 S HA 0.491 4.932 4.470 -0.047 0.000 0.270 16 S C 1.448 176.067 174.600 0.031 0.000 1.243 16 S CA -0.028 58.207 58.200 0.058 0.000 0.999 16 S CB 1.025 64.249 63.200 0.040 0.000 0.973 16 S HN 1.374 nan 8.310 nan 0.000 0.544 17 A N 3.226 126.052 122.820 0.010 0.000 1.902 17 A HA 0.100 4.392 4.320 -0.047 0.000 0.217 17 A C 2.146 179.711 177.584 -0.031 0.000 1.181 17 A CA 1.861 53.894 52.037 -0.007 0.000 0.623 17 A CB -1.653 17.344 19.000 -0.005 0.000 0.818 17 A HN 1.074 nan 8.150 nan 0.000 0.443 18 G N -0.434 108.349 108.800 -0.028 0.000 2.450 18 G HA2 -0.223 3.709 3.960 -0.047 0.000 0.220 18 G HA3 -0.223 3.709 3.960 -0.047 0.000 0.220 18 G C 1.389 176.236 174.900 -0.089 0.000 1.130 18 G CA 1.068 46.141 45.100 -0.045 0.000 0.760 18 G HN 0.696 nan 8.290 nan 0.000 0.557 19 E N -0.260 119.876 120.200 -0.107 0.000 2.170 19 E HA 0.026 4.348 4.350 -0.047 0.000 0.191 19 E C 2.403 178.759 176.600 -0.406 0.000 0.981 19 E CA 0.027 56.274 56.400 -0.254 0.000 0.830 19 E CB 0.055 29.641 29.700 -0.191 0.000 0.775 19 E HN 0.301 nan 8.360 nan 0.000 0.470 20 I N 1.135 121.565 120.570 -0.234 0.000 2.202 20 I HA -0.187 3.955 4.170 -0.047 0.000 0.242 20 I C 2.276 178.294 176.117 -0.166 0.000 1.091 20 I CA 1.159 62.338 61.300 -0.202 0.000 1.368 20 I CB -1.133 36.825 38.000 -0.070 0.000 1.058 20 I HN -0.025 nan 8.210 nan 0.000 0.410 21 S N 0.464 116.095 115.700 -0.114 0.000 2.356 21 S HA -0.229 4.212 4.470 -0.047 0.000 0.223 21 S C 1.919 176.457 174.600 -0.104 0.000 1.032 21 S CA 1.493 59.645 58.200 -0.082 0.000 1.005 21 S CB -0.233 62.934 63.200 -0.056 0.000 0.867 21 S HN 0.387 nan 8.310 nan 0.000 0.449 22 E N 0.938 121.055 120.200 -0.139 0.000 2.209 22 E HA -0.095 4.227 4.350 -0.047 0.000 0.196 22 E C 1.720 178.221 176.600 -0.165 0.000 0.993 22 E CA 0.760 57.076 56.400 -0.140 0.000 0.819 22 E CB -0.152 29.456 29.700 -0.153 0.000 0.745 22 E HN 0.309 nan 8.360 nan 0.000 0.477 23 V N 0.345 120.119 119.914 -0.235 0.000 2.488 23 V HA -0.187 3.904 4.120 -0.047 0.000 0.246 23 V C 2.455 178.485 176.094 -0.106 0.000 1.046 23 V CA 1.845 64.017 62.300 -0.212 0.000 1.053 23 V CB -0.522 31.114 31.823 -0.311 0.000 0.679 23 V HN 0.358 nan 8.190 nan 0.000 0.458 24 Q N 0.628 120.375 119.800 -0.088 0.000 1.993 24 Q HA -0.165 4.147 4.340 -0.047 0.000 0.202 24 Q C 2.277 178.259 176.000 -0.030 0.000 0.984 24 Q CA 2.305 58.086 55.803 -0.037 0.000 0.837 24 Q CB -0.595 28.130 28.738 -0.023 0.000 0.902 24 Q HN 0.583 nan 8.270 nan 0.000 0.423 25 G N 1.399 110.175 108.800 -0.041 0.000 2.514 25 G HA2 -0.286 3.646 3.960 -0.047 0.000 0.217 25 G HA3 -0.286 3.646 3.960 -0.047 0.000 0.217 25 G C 1.458 176.341 174.900 -0.030 0.000 1.198 25 G CA 1.206 46.287 45.100 -0.032 0.000 0.780 25 G HN 0.426 nan 8.290 nan 0.000 0.565 26 I N 0.378 120.923 120.570 -0.041 0.000 2.194 26 I HA -0.207 3.935 4.170 -0.047 0.000 0.246 26 I C 2.782 178.889 176.117 -0.017 0.000 1.093 26 I CA 0.820 62.101 61.300 -0.032 0.000 1.355 26 I CB -0.229 37.745 38.000 -0.044 0.000 1.046 26 I HN 0.162 nan 8.210 nan 0.000 0.413 27 L N -0.062 121.152 121.223 -0.015 0.000 2.027 27 L HA -0.185 4.126 4.340 -0.047 0.000 0.206 27 L C 2.828 179.701 176.870 0.005 0.000 1.074 27 L CA 1.344 56.185 54.840 0.003 0.000 0.745 27 L CB -0.490 41.576 42.059 0.011 0.000 0.898 27 L HN 0.170 nan 8.230 nan 0.000 0.433 28 R N -0.564 119.937 120.500 0.001 0.000 2.082 28 R HA -0.163 4.149 4.340 -0.047 0.000 0.234 28 R C 2.170 178.468 176.300 -0.003 0.000 1.136 28 R CA 2.077 58.177 56.100 0.001 0.000 0.935 28 R CB -0.761 29.536 30.300 -0.004 0.000 0.842 28 R HN 0.272 nan 8.270 nan 0.000 0.430 29 T N 0.404 114.954 114.554 -0.007 0.000 2.869 29 T HA -0.156 4.166 4.350 -0.047 0.000 0.270 29 T C 1.487 176.184 174.700 -0.005 0.000 1.082 29 T CA 1.415 63.510 62.100 -0.008 0.000 1.123 29 T CB -0.088 68.773 68.868 -0.011 0.000 0.856 29 T HN 0.398 nan 8.240 nan 0.000 0.499 30 A N -0.131 122.688 122.820 -0.002 0.000 2.308 30 A HA 0.577 4.869 4.320 -0.047 0.000 0.217 30 A C 1.853 179.439 177.584 0.003 0.000 1.216 30 A CA 0.656 52.694 52.037 0.002 0.000 0.864 30 A CB -0.311 18.692 19.000 0.005 0.000 0.902 30 A HN 0.638 nan 8.150 nan 0.000 0.499 31 G N -0.834 107.967 108.800 0.002 0.000 2.143 31 G HA2 -0.256 3.676 3.960 -0.047 0.000 0.249 31 G HA3 -0.256 3.676 3.960 -0.047 0.000 0.249 31 G C 0.700 175.604 174.900 0.006 0.000 0.981 31 G CA 0.536 45.637 45.100 0.002 0.000 0.665 31 G HN 0.461 nan 8.290 nan 0.000 0.528 32 L N -1.162 120.068 121.223 0.012 0.000 2.446 32 L HA 0.386 4.698 4.340 -0.047 0.000 0.219 32 L C 1.255 178.142 176.870 0.028 0.000 1.116 32 L CA 0.322 55.174 54.840 0.021 0.000 0.844 32 L CB 0.265 42.341 42.059 0.029 0.000 0.970 32 L HN 0.218 nan 8.230 nan 0.000 0.457 33 L N 0.797 122.036 121.223 0.026 0.000 2.506 33 L HA 0.491 4.803 4.340 -0.047 0.000 0.247 33 L C 0.590 177.479 176.870 0.031 0.000 1.141 33 L CA -0.201 54.663 54.840 0.040 0.000 0.973 33 L CB 0.332 42.418 42.059 0.045 0.000 1.319 33 L HN -0.083 nan 8.230 nan 0.000 0.455 34 G N 1.814 110.629 108.800 0.024 0.000 2.494 34 G HA2 0.342 4.273 3.960 -0.047 0.000 0.270 34 G HA3 0.342 4.273 3.960 -0.047 0.000 0.270 34 G C -1.644 173.266 174.900 0.017 0.000 1.423 34 G CA -0.248 44.858 45.100 0.010 0.000 1.055 34 G HN 0.453 nan 8.290 nan 0.000 0.536 35 P HA 0.094 nan 4.420 nan 0.000 0.231 35 P C 0.603 177.919 177.300 0.026 0.000 1.168 35 P CA 0.808 63.901 63.100 -0.011 0.000 0.779 35 P CB 0.619 32.301 31.700 -0.030 0.000 0.844 36 E N -0.323 119.888 120.200 0.018 0.000 2.501 36 E HA 0.133 4.455 4.350 -0.047 0.000 0.201 36 E C 0.210 176.801 176.600 -0.014 0.000 1.016 36 E CA 0.131 56.535 56.400 0.006 0.000 0.920 36 E CB 0.461 30.141 29.700 -0.032 0.000 1.023 36 E HN 0.257 nan 8.360 nan 0.000 0.474 37 K N 1.481 121.901 120.400 0.033 0.000 2.159 37 K HA 0.395 4.686 4.320 -0.047 0.000 0.266 37 K C 0.257 176.922 176.600 0.110 0.000 0.975 37 K CA -0.575 55.728 56.287 0.027 0.000 0.865 37 K CB 1.711 34.232 32.500 0.036 0.000 1.087 37 K HN -0.172 nan 8.250 nan 0.000 0.446 38 R N 1.979 122.526 120.500 0.079 0.000 2.686 38 R HA 0.451 4.763 4.340 -0.047 0.000 0.283 38 R C -0.084 176.257 176.300 0.069 0.000 0.978 38 R CA -0.929 55.201 56.100 0.049 0.000 0.897 38 R CB 1.271 31.600 30.300 0.048 0.000 1.192 38 R HN 0.492 nan 8.270 nan 0.000 0.457 39 I N 2.708 123.285 120.570 0.011 0.000 2.329 39 I HA 0.083 4.225 4.170 -0.047 0.000 0.295 39 I C 1.350 177.501 176.117 0.056 0.000 1.109 39 I CA 0.139 61.468 61.300 0.049 0.000 1.297 39 I CB 0.580 38.582 38.000 0.004 0.000 1.433 39 I HN 0.697 nan 8.210 nan 0.000 0.509 40 A N 6.858 129.771 122.820 0.154 0.000 2.169 40 A HA -0.001 4.290 4.320 -0.047 0.000 0.212 40 A C 0.456 178.206 177.584 0.276 0.000 1.153 40 A CA 0.636 52.770 52.037 0.162 0.000 0.756 40 A CB 0.049 19.144 19.000 0.158 0.000 0.813 40 A HN 0.711 nan 8.150 nan 0.000 0.471 41 Y N -2.426 117.947 120.300 0.121 0.000 2.527 41 Y HA 0.484 5.006 4.550 -0.048 0.000 0.328 41 Y C -2.038 173.828 175.900 -0.056 0.000 1.216 41 Y CA -1.080 57.035 58.100 0.025 0.000 1.152 41 Y CB 0.711 39.184 38.460 0.021 0.000 1.342 41 Y HN 0.179 nan 8.280 nan 0.000 0.465 42 L N 5.270 125.854 121.223 -1.064 0.000 2.493 42 L HA 1.003 5.314 4.340 -0.047 0.000 0.265 42 L C -1.290 175.036 176.870 -0.906 0.000 0.954 42 L CA -0.178 54.214 54.840 -0.747 0.000 0.844 42 L CB 2.177 44.087 42.059 -0.249 0.000 1.302 42 L HN 0.987 nan 8.230 nan 0.000 0.405 43 G N 2.889 111.345 108.800 -0.572 0.000 2.742 43 G HA2 0.454 4.386 3.960 -0.047 0.000 0.296 43 G HA3 0.454 4.386 3.960 -0.047 0.000 0.296 43 G C -1.734 172.977 174.900 -0.315 0.000 1.436 43 G CA -0.530 44.370 45.100 -0.333 0.000 0.928 43 G HN 0.548 nan 8.290 nan 0.000 0.520 44 V N 1.200 120.775 119.914 -0.564 0.000 2.963 44 V HA 0.450 4.542 4.120 -0.047 0.000 0.306 44 V C -0.150 175.668 176.094 -0.459 0.000 1.077 44 V CA -0.235 61.480 62.300 -0.975 0.000 1.124 44 V CB 1.042 32.291 31.823 -0.956 0.000 0.987 44 V HN 0.578 nan 8.190 nan 0.000 0.487 45 L N 5.087 126.061 121.223 -0.415 0.000 2.325 45 L HA 0.512 4.823 4.340 -0.047 0.000 0.279 45 L C 0.073 176.799 176.870 -0.239 0.000 1.054 45 L CA -0.067 54.637 54.840 -0.226 0.000 0.804 45 L CB 1.321 43.290 42.059 -0.150 0.000 1.200 45 L HN 0.643 nan 8.230 nan 0.000 0.436 46 D N 3.543 123.843 120.400 -0.166 0.000 2.341 46 D HA 0.238 4.850 4.640 -0.047 0.000 0.245 46 D C -2.103 174.077 176.300 -0.199 0.000 1.106 46 D CA -0.985 52.897 54.000 -0.196 0.000 0.905 46 D CB 0.572 41.364 40.800 -0.013 0.000 1.202 46 D HN 0.281 nan 8.370 nan 0.000 0.426 47 P HA 0.185 nan 4.420 nan 0.000 0.270 47 P C -0.554 176.700 177.300 -0.077 0.000 1.242 47 P CA -0.058 62.904 63.100 -0.229 0.000 0.768 47 P CB 0.575 32.056 31.700 -0.366 0.000 0.820 48 A N 4.262 127.054 122.820 -0.046 0.000 2.262 48 A HA 0.294 4.585 4.320 -0.047 0.000 0.273 48 A C 0.377 177.949 177.584 -0.020 0.000 1.202 48 A CA -0.241 51.796 52.037 -0.001 0.000 0.811 48 A CB 0.115 19.120 19.000 0.008 0.000 1.159 48 A HN 0.378 nan 8.150 nan 0.000 0.505 49 R N -0.308 120.171 120.500 -0.035 0.000 2.446 49 R HA 0.422 4.733 4.340 -0.047 0.000 0.314 49 R C 0.530 176.811 176.300 -0.032 0.000 1.003 49 R CA 1.125 57.178 56.100 -0.078 0.000 1.018 49 R CB -0.358 29.869 30.300 -0.120 0.000 0.945 49 R HN 1.605 nan 8.270 nan 0.000 0.419 50 G N 1.570 110.361 108.800 -0.015 0.000 2.441 50 G HA2 0.068 4.000 3.960 -0.047 0.000 0.233 50 G HA3 0.068 4.000 3.960 -0.047 0.000 0.233 50 G C 0.422 175.326 174.900 0.007 0.000 1.703 50 G CA -0.255 44.844 45.100 -0.001 0.000 1.020 50 G HN 0.628 nan 8.290 nan 0.000 0.600 51 A N -0.031 122.804 122.820 0.024 0.000 2.121 51 A HA 0.379 4.671 4.320 -0.047 0.000 0.218 51 A C 2.644 180.239 177.584 0.018 0.000 1.154 51 A CA 2.283 54.337 52.037 0.028 0.000 0.679 51 A CB -0.347 18.686 19.000 0.055 0.000 0.795 51 A HN 1.784 nan 8.150 nan 0.000 0.458 52 G N -0.531 108.278 108.800 0.016 0.000 2.475 52 G HA2 -0.166 3.766 3.960 -0.047 0.000 0.220 52 G HA3 -0.166 3.766 3.960 -0.047 0.000 0.220 52 G C 1.169 176.073 174.900 0.006 0.000 1.125 52 G CA 1.087 46.195 45.100 0.012 0.000 0.755 52 G HN 0.524 nan 8.290 nan 0.000 0.565 53 S N 0.976 116.677 115.700 0.002 0.000 3.919 53 S HA 0.207 4.648 4.470 -0.047 0.000 0.245 53 S C 1.126 175.722 174.600 -0.006 0.000 1.344 53 S CA -0.397 57.801 58.200 -0.003 0.000 0.896 53 S CB -0.128 63.068 63.200 -0.006 0.000 1.557 53 S HN 0.257 nan 8.310 nan 0.000 0.468 54 E N 1.911 122.109 120.200 -0.003 0.000 2.533 54 E HA -0.007 4.314 4.350 -0.047 0.000 0.203 54 E C 0.610 177.204 176.600 -0.010 0.000 1.101 54 E CA 0.041 56.438 56.400 -0.005 0.000 0.894 54 E CB -0.254 29.447 29.700 0.001 0.000 0.843 54 E HN 0.688 nan 8.360 nan 0.000 0.552 55 A N 1.775 124.588 122.820 -0.012 0.000 2.350 55 A HA 0.061 4.352 4.320 -0.047 0.000 0.293 55 A C 0.360 177.931 177.584 -0.022 0.000 1.231 55 A CA -0.286 51.743 52.037 -0.013 0.000 0.883 55 A CB -0.074 18.921 19.000 -0.010 0.000 1.133 55 A HN 0.077 nan 8.150 nan 0.000 0.533 56 E N 2.631 122.816 120.200 -0.025 0.000 2.328 56 E HA 0.027 4.348 4.350 -0.047 0.000 0.265 56 E C -1.112 175.469 176.600 -0.032 0.000 1.057 56 E CA -0.054 56.322 56.400 -0.039 0.000 0.916 56 E CB 0.376 30.053 29.700 -0.038 0.000 0.993 56 E HN 0.525 nan 8.360 nan 0.000 0.446 57 D N 4.666 125.041 120.400 -0.042 0.000 2.472 57 D HA 0.136 4.747 4.640 -0.047 0.000 0.234 57 D C -0.885 175.397 176.300 -0.029 0.000 1.088 57 D CA -0.596 53.389 54.000 -0.025 0.000 0.882 57 D CB 0.319 41.107 40.800 -0.021 0.000 1.037 57 D HN 0.235 nan 8.370 nan 0.000 0.520 58 R N 3.475 123.978 120.500 0.005 0.000 2.291 58 R HA 0.286 4.598 4.340 -0.047 0.000 0.333 58 R C 0.219 176.600 176.300 0.135 0.000 1.082 58 R CA -0.089 56.036 56.100 0.042 0.000 0.948 58 R CB 0.370 30.745 30.300 0.126 0.000 1.009 58 R HN 0.373 nan 8.270 nan 0.000 0.460 59 R N 2.476 123.005 120.500 0.049 0.000 2.664 59 R HA 0.493 4.805 4.340 -0.047 0.000 0.286 59 R C -0.586 175.762 176.300 0.081 0.000 0.967 59 R CA -0.674 55.497 56.100 0.119 0.000 0.933 59 R CB 1.355 31.669 30.300 0.023 0.000 1.146 59 R HN 0.194 nan 8.270 nan 0.000 0.468 60 F N 0.539 120.464 119.950 -0.043 0.000 2.551 60 F HA 0.463 4.961 4.527 -0.048 0.000 0.316 60 F C 0.428 176.206 175.800 -0.037 0.000 1.089 60 F CA -0.824 57.145 58.000 -0.052 0.000 0.915 60 F CB 1.736 40.697 39.000 -0.064 0.000 1.186 60 F HN 0.170 nan 8.300 nan 0.000 0.456 61 R N 1.942 122.494 120.500 0.087 0.000 2.532 61 R HA 0.895 5.206 4.340 -0.047 0.000 0.295 61 R C -1.815 174.506 176.300 0.035 0.000 0.968 61 R CA -0.559 55.578 56.100 0.060 0.000 0.916 61 R CB 1.674 31.991 30.300 0.028 0.000 1.124 61 R HN 0.566 nan 8.270 nan 0.000 0.463 62 V N 3.783 123.733 119.914 0.059 0.000 2.971 62 V HA 0.481 4.573 4.120 -0.047 0.000 0.309 62 V C -1.287 174.967 176.094 0.265 0.000 1.130 62 V CA -0.871 61.475 62.300 0.077 0.000 0.964 62 V CB 2.112 33.989 31.823 0.089 0.000 1.029 62 V HN 0.563 nan 8.190 nan 0.000 0.427 63 F N 3.589 123.705 119.950 0.277 0.000 2.375 63 F HA 0.627 5.125 4.527 -0.048 0.000 0.361 63 F C 0.089 175.989 175.800 0.168 0.000 1.117 63 F CA -1.561 56.594 58.000 0.257 0.000 1.037 63 F CB 1.344 40.543 39.000 0.332 0.000 1.192 63 F HN 0.215 nan 8.300 nan 0.000 0.452 64 I N 4.033 124.789 120.570 0.310 0.000 2.321 64 I HA 0.191 4.332 4.170 -0.047 0.000 0.291 64 I C -0.312 175.898 176.117 0.155 0.000 0.998 64 I CA -0.699 60.714 61.300 0.188 0.000 1.227 64 I CB 1.255 39.330 38.000 0.124 0.000 1.368 64 I HN 0.492 nan 8.210 nan 0.000 0.466 65 H N 4.896 123.990 119.070 0.039 0.000 2.467 65 H HA 0.337 4.865 4.556 -0.047 0.000 0.331 65 H C -1.279 174.044 175.328 -0.008 0.000 1.120 65 H CA -0.601 55.441 56.048 -0.009 0.000 1.270 65 H CB 1.490 31.238 29.762 -0.023 0.000 1.466 65 H HN 0.566 nan 8.280 nan 0.000 0.504 66 D N 3.719 123.706 120.400 -0.688 0.000 2.441 66 D HA 0.168 4.779 4.640 -0.047 0.000 0.231 66 D C 0.457 176.312 176.300 -0.741 0.000 1.073 66 D CA -0.574 53.112 54.000 -0.522 0.000 0.850 66 D CB 0.945 41.598 40.800 -0.245 0.000 1.062 66 D HN 0.384 nan 8.370 nan 0.000 0.524 67 V N 2.758 122.351 119.914 -0.536 0.000 2.828 67 V HA -0.179 3.912 4.120 -0.047 0.000 0.260 67 V C 1.689 177.708 176.094 -0.125 0.000 1.101 67 V CA 1.913 64.064 62.300 -0.249 0.000 1.123 67 V CB -0.785 31.003 31.823 -0.058 0.000 0.704 67 V HN 0.724 nan 8.190 nan 0.000 0.493 68 S N -0.526 115.093 115.700 -0.134 0.000 2.552 68 S HA 0.469 4.911 4.470 -0.047 0.000 0.246 68 S C 1.430 175.985 174.600 -0.075 0.000 1.019 68 S CA 0.305 58.458 58.200 -0.078 0.000 1.045 68 S CB 0.345 63.509 63.200 -0.060 0.000 0.784 68 S HN 0.974 nan 8.310 nan 0.000 0.453 69 G N 0.626 109.376 108.800 -0.084 0.000 2.220 69 G HA2 -0.236 3.695 3.960 -0.047 0.000 0.269 69 G HA3 -0.236 3.695 3.960 -0.047 0.000 0.269 69 G C 0.436 175.293 174.900 -0.071 0.000 0.977 69 G CA -0.023 45.041 45.100 -0.061 0.000 0.634 69 G HN 1.398 nan 8.290 nan 0.000 0.539 70 A N 0.469 123.235 122.820 -0.090 0.000 2.386 70 A HA 0.618 4.909 4.320 -0.047 0.000 0.248 70 A C 1.002 178.534 177.584 -0.087 0.000 1.082 70 A CA -0.169 51.820 52.037 -0.080 0.000 0.789 70 A CB 0.277 19.231 19.000 -0.076 0.000 1.025 70 A HN 0.455 nan 8.150 nan 0.000 0.490 71 R N 1.646 122.101 120.500 -0.076 0.000 2.537 71 R HA 0.068 4.380 4.340 -0.047 0.000 0.281 71 R C -2.186 174.065 176.300 -0.082 0.000 0.988 71 R CA -0.501 55.548 56.100 -0.084 0.000 1.077 71 R CB -0.233 30.020 30.300 -0.078 0.000 0.932 71 R HN 0.597 nan 8.270 nan 0.000 0.409 72 P HA 0.145 nan 4.420 nan 0.000 0.277 72 P C -0.893 176.363 177.300 -0.073 0.000 1.271 72 P CA -0.392 62.665 63.100 -0.072 0.000 0.795 72 P CB 1.006 32.651 31.700 -0.091 0.000 1.101 73 Q N -1.266 118.528 119.800 -0.011 0.000 2.456 73 Q HA 0.392 4.704 4.340 -0.047 0.000 0.284 73 Q C -1.039 175.054 176.000 0.155 0.000 1.061 73 Q CA -0.710 55.114 55.803 0.034 0.000 0.799 73 Q CB 2.348 31.116 28.738 0.051 0.000 1.445 73 Q HN 0.428 nan 8.270 nan 0.000 0.411 74 E N 1.440 121.763 120.200 0.204 0.000 2.114 74 E HA 0.427 4.748 4.350 -0.047 0.000 0.266 74 E C -1.489 175.263 176.600 0.253 0.000 0.896 74 E CA -0.447 56.188 56.400 0.392 0.000 0.750 74 E CB 1.140 31.109 29.700 0.449 0.000 1.121 74 E HN 0.307 nan 8.360 nan 0.000 0.413 75 V N 3.830 123.885 119.914 0.235 0.000 2.459 75 V HA 0.373 4.464 4.120 -0.047 0.000 0.295 75 V C -0.140 176.031 176.094 0.129 0.000 1.029 75 V CA -0.659 61.730 62.300 0.147 0.000 0.874 75 V CB 1.963 33.854 31.823 0.114 0.000 0.985 75 V HN 0.698 nan 8.190 nan 0.000 0.438 76 T N 4.267 118.881 114.554 0.100 0.000 2.809 76 T HA 0.592 4.913 4.350 -0.047 0.000 0.296 76 T C -0.287 174.458 174.700 0.075 0.000 1.015 76 T CA -0.343 61.809 62.100 0.087 0.000 0.954 76 T CB 1.311 70.222 68.868 0.071 0.000 0.950 76 T HN 0.353 nan 8.240 nan 0.000 0.450 77 V N 2.329 122.297 119.914 0.089 0.000 2.850 77 V HA 0.726 4.817 4.120 -0.047 0.000 0.315 77 V C 0.314 176.463 176.094 0.091 0.000 1.064 77 V CA -0.920 61.422 62.300 0.068 0.000 0.979 77 V CB 2.044 33.892 31.823 0.042 0.000 1.039 77 V HN 0.850 nan 8.190 nan 0.000 0.452 78 S N 1.786 117.520 115.700 0.057 0.000 2.622 78 S HA 0.278 4.720 4.470 -0.047 0.000 0.283 78 S C 0.584 175.205 174.600 0.034 0.000 1.197 78 S CA -0.530 57.707 58.200 0.062 0.000 1.146 78 S CB 1.086 64.307 63.200 0.035 0.000 1.007 78 S HN 0.439 nan 8.310 nan 0.000 0.478 79 V N 4.748 124.687 119.914 0.043 0.000 2.568 79 V HA -0.117 3.974 4.120 -0.047 0.000 0.253 79 V C 2.499 178.585 176.094 -0.013 0.000 1.072 79 V CA 2.443 64.722 62.300 -0.036 0.000 1.084 79 V CB -0.915 30.832 31.823 -0.126 0.000 0.676 79 V HN 0.856 nan 8.190 nan 0.000 0.469 80 T N 0.024 114.588 114.554 0.017 0.000 2.896 80 T HA -0.079 4.242 4.350 -0.047 0.000 0.263 80 T C 1.785 176.485 174.700 -0.001 0.000 1.050 80 T CA 1.258 63.362 62.100 0.007 0.000 1.140 80 T CB -0.239 68.636 68.868 0.012 0.000 0.877 80 T HN 0.451 nan 8.240 nan 0.000 0.457 81 N N 0.496 119.197 118.700 0.002 0.000 2.333 81 N HA 0.089 4.800 4.740 -0.047 0.000 0.178 81 N C 1.575 177.081 175.510 -0.006 0.000 1.018 81 N CA 1.058 54.107 53.050 -0.001 0.000 0.882 81 N CB -0.184 38.305 38.487 0.003 0.000 0.984 81 N HN 0.523 nan 8.380 nan 0.000 0.434 82 G N 0.280 109.073 108.800 -0.011 0.000 2.132 82 G HA2 -0.248 3.683 3.960 -0.047 0.000 0.234 82 G HA3 -0.248 3.683 3.960 -0.047 0.000 0.234 82 G C 0.183 175.075 174.900 -0.014 0.000 0.989 82 G CA 0.759 45.848 45.100 -0.019 0.000 0.676 82 G HN 0.604 nan 8.290 nan 0.000 0.522 83 T N -2.857 111.693 114.554 -0.005 0.000 2.949 83 T HA 0.724 5.045 4.350 -0.047 0.000 0.287 83 T C -0.147 174.557 174.700 0.007 0.000 1.034 83 T CA -0.587 61.513 62.100 0.000 0.000 1.018 83 T CB 2.761 71.632 68.868 0.004 0.000 1.135 83 T HN 0.727 nan 8.240 nan 0.000 0.532 84 V N 3.161 123.081 119.914 0.011 0.000 2.348 84 V HA 0.192 4.284 4.120 -0.047 0.000 0.270 84 V C 1.074 177.182 176.094 0.023 0.000 1.037 84 V CA -0.682 61.630 62.300 0.020 0.000 0.872 84 V CB 0.441 32.276 31.823 0.019 0.000 1.002 84 V HN 0.794 nan 8.190 nan 0.000 0.464 85 I N 2.807 123.395 120.570 0.030 0.000 2.286 85 I HA 0.034 4.176 4.170 -0.047 0.000 0.245 85 I C 1.014 177.150 176.117 0.030 0.000 1.104 85 I CA 1.156 62.473 61.300 0.027 0.000 1.397 85 I CB -0.287 37.730 38.000 0.029 0.000 1.072 85 I HN 0.555 nan 8.210 nan 0.000 0.417 86 S N -1.035 114.690 115.700 0.041 0.000 2.596 86 S HA 0.823 5.265 4.470 -0.047 0.000 0.270 86 S C -1.214 173.420 174.600 0.056 0.000 1.155 86 S CA -0.450 57.777 58.200 0.045 0.000 0.827 86 S CB 2.827 66.057 63.200 0.050 0.000 1.130 86 S HN 0.295 nan 8.310 nan 0.000 0.467 87 A N 1.375 124.228 122.820 0.055 0.000 2.500 87 A HA 0.668 4.959 4.320 -0.047 0.000 0.291 87 A C -1.684 175.932 177.584 0.053 0.000 1.048 87 A CA -0.435 51.639 52.037 0.061 0.000 0.791 87 A CB 0.783 19.810 19.000 0.045 0.000 1.309 87 A HN 0.614 nan 8.150 nan 0.000 0.397 88 V N 2.032 121.985 119.914 0.065 0.000 2.735 88 V HA 0.513 4.605 4.120 -0.047 0.000 0.310 88 V C -0.342 175.764 176.094 0.021 0.000 1.061 88 V CA -0.879 61.447 62.300 0.044 0.000 0.913 88 V CB 2.039 33.898 31.823 0.061 0.000 1.005 88 V HN 0.875 nan 8.190 nan 0.000 0.428 89 E N 3.385 123.581 120.200 -0.006 0.000 2.289 89 E HA 0.440 4.762 4.350 -0.047 0.000 0.278 89 E C -1.015 175.543 176.600 -0.070 0.000 1.032 89 E CA -0.234 56.144 56.400 -0.038 0.000 0.854 89 E CB 1.802 31.479 29.700 -0.038 0.000 1.046 89 E HN 0.452 nan 8.360 nan 0.000 0.409 90 L N 2.563 123.709 121.223 -0.129 0.000 2.282 90 L HA 0.203 4.515 4.340 -0.047 0.000 0.288 90 L C 0.314 177.054 176.870 -0.218 0.000 1.033 90 L CA -0.760 53.947 54.840 -0.221 0.000 0.807 90 L CB 0.966 42.773 42.059 -0.419 0.000 1.209 90 L HN 0.324 nan 8.230 nan 0.000 0.423 91 D N 1.475 121.758 120.400 -0.194 0.000 2.522 91 D HA 0.040 4.651 4.640 -0.047 0.000 0.218 91 D C 1.490 177.652 176.300 -0.230 0.000 1.149 91 D CA -0.212 53.685 54.000 -0.172 0.000 0.981 91 D CB 0.862 41.589 40.800 -0.122 0.000 1.041 91 D HN 0.640 nan 8.370 nan 0.000 0.518 92 T N 0.218 114.610 114.554 -0.271 0.000 2.822 92 T HA -0.245 4.077 4.350 -0.047 0.000 0.270 92 T C 1.819 176.369 174.700 -0.251 0.000 1.064 92 T CA 1.050 62.961 62.100 -0.316 0.000 1.131 92 T CB -0.192 68.501 68.868 -0.293 0.000 0.858 92 T HN 0.263 nan 8.240 nan 0.000 0.483 93 A N 0.766 123.475 122.820 -0.185 0.000 2.168 93 A HA 0.584 4.876 4.320 -0.047 0.000 0.215 93 A C 2.509 179.999 177.584 -0.156 0.000 1.152 93 A CA 1.264 53.212 52.037 -0.149 0.000 0.716 93 A CB -0.777 18.159 19.000 -0.107 0.000 0.794 93 A HN 0.759 nan 8.150 nan 0.000 0.465 94 A N -0.951 121.763 122.820 -0.177 0.000 1.969 94 A HA 0.160 4.452 4.320 -0.047 0.000 0.205 94 A C 2.080 179.519 177.584 -0.241 0.000 1.364 94 A CA 1.508 53.448 52.037 -0.161 0.000 0.756 94 A CB -0.616 18.315 19.000 -0.115 0.000 0.988 94 A HN 0.612 nan 8.150 nan 0.000 0.490 95 T N -2.672 111.713 114.554 -0.280 0.000 3.107 95 T HA 0.460 4.781 4.350 -0.047 0.000 0.249 95 T C 0.942 175.343 174.700 -0.499 0.000 1.096 95 T CA 0.832 62.740 62.100 -0.320 0.000 1.012 95 T CB -0.414 68.360 68.868 -0.157 0.000 0.977 95 T HN 1.913 nan 8.240 nan 0.000 0.527 96 G N 1.336 109.823 108.800 -0.522 0.000 2.712 96 G HA2 -0.061 3.871 3.960 -0.047 0.000 0.686 96 G HA3 -0.061 3.871 3.960 -0.047 0.000 0.686 96 G C -0.823 173.867 174.900 -0.349 0.000 1.321 96 G CA -1.026 43.821 45.100 -0.421 0.000 0.813 96 G HN 0.336 nan 8.290 nan 0.000 0.599 97 E N -0.360 119.689 120.200 -0.251 0.000 2.392 97 E HA 0.467 4.788 4.350 -0.047 0.000 0.256 97 E C 0.877 177.343 176.600 -0.222 0.000 1.145 97 E CA -0.481 55.765 56.400 -0.256 0.000 0.929 97 E CB 0.849 30.432 29.700 -0.195 0.000 0.998 97 E HN 0.395 nan 8.360 nan 0.000 0.442 98 L N 1.924 122.999 121.223 -0.247 0.000 2.468 98 L HA 0.226 4.537 4.340 -0.047 0.000 0.254 98 L C -2.039 174.779 176.870 -0.087 0.000 1.171 98 L CA -1.446 53.315 54.840 -0.132 0.000 0.809 98 L CB -0.485 41.487 42.059 -0.144 0.000 1.155 98 L HN 0.287 nan 8.230 nan 0.000 0.473 99 P HA 0.008 nan 4.420 nan 0.000 0.267 99 P C -1.014 176.212 177.300 -0.123 0.000 1.200 99 P CA -0.214 62.880 63.100 -0.010 0.000 0.772 99 P CB 0.323 32.089 31.700 0.109 0.000 0.855 100 V N 4.081 123.882 119.914 -0.188 0.000 2.572 100 V HA 0.023 4.114 4.120 -0.047 0.000 0.291 100 V C 0.743 176.627 176.094 -0.350 0.000 1.039 100 V CA 0.029 62.098 62.300 -0.384 0.000 1.055 100 V CB -0.211 31.269 31.823 -0.572 0.000 0.969 100 V HN 0.327 nan 8.190 nan 0.000 0.482 101 L N 3.361 124.334 121.223 -0.416 0.000 2.371 101 L HA 0.286 4.598 4.340 -0.047 0.000 0.272 101 L C 1.659 178.360 176.870 -0.282 0.000 1.124 101 L CA -0.080 54.609 54.840 -0.251 0.000 0.816 101 L CB 0.661 42.597 42.059 -0.204 0.000 1.129 101 L HN 0.749 nan 8.230 nan 0.000 0.448 102 E N 1.741 121.969 120.200 0.047 0.000 2.160 102 E HA -0.256 4.066 4.350 -0.047 0.000 0.195 102 E C 1.616 178.344 176.600 0.213 0.000 0.991 102 E CA 1.802 58.410 56.400 0.346 0.000 0.810 102 E CB 0.288 30.197 29.700 0.348 0.000 0.742 102 E HN 0.811 nan 8.360 nan 0.000 0.466 103 E N 0.242 120.472 120.200 0.049 0.000 2.152 103 E HA -0.195 4.127 4.350 -0.047 0.000 0.192 103 E C 1.672 178.277 176.600 0.008 0.000 0.983 103 E CA 1.154 57.584 56.400 0.051 0.000 0.818 103 E CB -0.206 29.511 29.700 0.028 0.000 0.758 103 E HN 0.307 nan 8.360 nan 0.000 0.467 104 E N 0.044 120.165 120.200 -0.132 0.000 2.204 104 E HA -0.122 4.200 4.350 -0.047 0.000 0.194 104 E C 1.571 178.116 176.600 -0.093 0.000 0.989 104 E CA 0.808 57.106 56.400 -0.169 0.000 0.824 104 E CB -0.176 29.334 29.700 -0.317 0.000 0.756 104 E HN 0.272 nan 8.360 nan 0.000 0.477 105 F N 1.759 121.736 119.950 0.045 0.000 2.075 105 F HA -0.148 4.351 4.527 -0.047 0.000 0.297 105 F C 2.158 177.996 175.800 0.063 0.000 1.113 105 F CA 1.258 59.299 58.000 0.068 0.000 1.218 105 F CB -0.690 38.383 39.000 0.122 0.000 0.984 105 F HN -0.011 nan 8.300 nan 0.000 0.472 106 E N 0.002 120.363 120.200 0.267 0.000 2.085 106 E HA -0.188 4.133 4.350 -0.047 0.000 0.194 106 E C 2.339 179.000 176.600 0.102 0.000 0.994 106 E CA 1.571 58.072 56.400 0.167 0.000 0.801 106 E CB -0.581 29.206 29.700 0.145 0.000 0.743 106 E HN 0.152 nan 8.360 nan 0.000 0.453 107 V N 1.268 121.226 119.914 0.074 0.000 2.317 107 V HA -0.320 3.772 4.120 -0.047 0.000 0.251 107 V C 2.375 178.470 176.094 0.002 0.000 1.065 107 V CA 1.742 64.059 62.300 0.029 0.000 1.049 107 V CB -0.613 31.214 31.823 0.007 0.000 0.651 107 V HN 0.158 nan 8.190 nan 0.000 0.450 108 V N -0.301 119.619 119.914 0.010 0.000 2.231 108 V HA -0.374 3.718 4.120 -0.047 0.000 0.248 108 V C 2.449 178.483 176.094 -0.101 0.000 1.054 108 V CA 2.598 64.871 62.300 -0.046 0.000 1.015 108 V CB -0.680 31.140 31.823 -0.004 0.000 0.638 108 V HN 0.681 nan 8.190 nan 0.000 0.444 109 E N -0.540 119.640 120.200 -0.034 0.000 2.118 109 E HA -0.286 4.036 4.350 -0.047 0.000 0.195 109 E C 2.288 178.863 176.600 -0.041 0.000 0.992 109 E CA 1.582 57.961 56.400 -0.035 0.000 0.804 109 E CB -0.050 29.678 29.700 0.048 0.000 0.741 109 E HN 0.710 nan 8.360 nan 0.000 0.458 110 Q N -0.214 119.577 119.800 -0.015 0.000 2.016 110 Q HA -0.174 4.137 4.340 -0.047 0.000 0.200 110 Q C 2.267 178.245 176.000 -0.036 0.000 0.978 110 Q CA 1.168 56.968 55.803 -0.005 0.000 0.833 110 Q CB -0.045 28.701 28.738 0.013 0.000 0.895 110 Q HN 0.223 nan 8.270 nan 0.000 0.427 111 L N 0.380 121.562 121.223 -0.067 0.000 2.012 111 L HA -0.202 4.110 4.340 -0.047 0.000 0.210 111 L C 2.149 178.936 176.870 -0.138 0.000 1.073 111 L CA 1.653 56.441 54.840 -0.087 0.000 0.748 111 L CB -0.814 41.186 42.059 -0.097 0.000 0.891 111 L HN 0.239 nan 8.230 nan 0.000 0.431 112 L N -1.100 119.958 121.223 -0.275 0.000 2.083 112 L HA -0.214 4.098 4.340 -0.047 0.000 0.209 112 L C 2.616 179.382 176.870 -0.173 0.000 1.083 112 L CA 1.074 55.612 54.840 -0.504 0.000 0.752 112 L CB -0.830 40.469 42.059 -1.267 0.000 0.899 112 L HN 0.288 nan 8.230 nan 0.000 0.433 113 A N 0.009 122.817 122.820 -0.021 0.000 2.032 113 A HA -0.222 4.070 4.320 -0.047 0.000 0.221 113 A C 2.228 179.886 177.584 0.123 0.000 1.165 113 A CA 2.324 54.444 52.037 0.139 0.000 0.645 113 A CB -0.783 18.271 19.000 0.091 0.000 0.807 113 A HN 0.543 nan 8.150 nan 0.000 0.453 114 T N -3.364 111.227 114.554 0.063 0.000 3.054 114 T HA 0.139 4.460 4.350 -0.047 0.000 0.255 114 T C 0.302 175.037 174.700 0.057 0.000 1.035 114 T CA 0.160 62.293 62.100 0.055 0.000 0.941 114 T CB -0.090 68.795 68.868 0.028 0.000 1.026 114 T HN 0.373 nan 8.240 nan 0.000 0.533 115 D N 1.872 122.315 120.400 0.072 0.000 2.325 115 D HA 0.086 4.697 4.640 -0.047 0.000 0.251 115 D C 0.725 177.105 176.300 0.132 0.000 1.196 115 D CA -0.005 54.041 54.000 0.077 0.000 0.866 115 D CB 1.175 42.002 40.800 0.046 0.000 1.101 115 D HN 0.338 nan 8.370 nan 0.000 0.476 116 E N 3.032 123.280 120.200 0.081 0.000 2.085 116 E HA -0.222 4.099 4.350 -0.047 0.000 0.194 116 E C 1.859 178.504 176.600 0.074 0.000 0.994 116 E CA 1.076 57.516 56.400 0.066 0.000 0.801 116 E CB 0.248 29.970 29.700 0.036 0.000 0.743 116 E HN 0.482 nan 8.360 nan 0.000 0.453 117 R N 0.089 120.639 120.500 0.083 0.000 2.096 117 R HA -0.134 4.178 4.340 -0.047 0.000 0.235 117 R C 2.178 178.556 176.300 0.131 0.000 1.127 117 R CA 1.369 57.516 56.100 0.079 0.000 0.968 117 R CB -0.309 30.033 30.300 0.069 0.000 0.861 117 R HN 0.422 nan 8.270 nan 0.000 0.440 118 W N 1.464 122.743 121.300 -0.034 0.000 2.353 118 W HA -0.183 4.467 4.660 -0.017 0.000 0.319 118 W C 1.550 178.055 176.519 -0.024 0.000 1.207 118 W CA 1.277 58.603 57.345 -0.031 0.000 1.291 118 W CB -0.259 29.187 29.460 -0.024 0.000 1.159 118 W HN 0.065 nan 8.180 nan 0.000 0.478 119 L N 0.900 122.202 121.223 0.131 0.000 2.081 119 L HA -0.281 4.031 4.340 -0.047 0.000 0.212 119 L C 2.467 179.299 176.870 -0.063 0.000 1.080 119 L CA 1.643 56.486 54.840 0.006 0.000 0.754 119 L CB -0.825 41.270 42.059 0.061 0.000 0.893 119 L HN -0.022 nan 8.230 nan 0.000 0.433 120 K N -0.027 120.349 120.400 -0.041 0.000 2.057 120 K HA -0.086 4.206 4.320 -0.047 0.000 0.206 120 K C 2.306 178.843 176.600 -0.106 0.000 1.050 120 K CA 1.205 57.458 56.287 -0.057 0.000 0.935 120 K CB -0.239 32.242 32.500 -0.031 0.000 0.715 120 K HN 0.274 nan 8.250 nan 0.000 0.439 121 A N 1.579 124.308 122.820 -0.153 0.000 1.877 121 A HA -0.127 4.164 4.320 -0.047 0.000 0.216 121 A C 2.117 179.540 177.584 -0.268 0.000 1.186 121 A CA 1.235 53.143 52.037 -0.215 0.000 0.620 121 A CB -0.674 18.154 19.000 -0.287 0.000 0.822 121 A HN 0.144 nan 8.150 nan 0.000 0.443 122 L N -0.876 120.136 121.223 -0.352 0.000 2.083 122 L HA -0.197 4.115 4.340 -0.047 0.000 0.209 122 L C 3.098 179.863 176.870 -0.175 0.000 1.083 122 L CA 1.035 55.692 54.840 -0.306 0.000 0.752 122 L CB -0.717 41.146 42.059 -0.326 0.000 0.899 122 L HN 0.468 nan 8.230 nan 0.000 0.433 123 A N 0.376 123.115 122.820 -0.135 0.000 1.877 123 A HA -0.174 4.118 4.320 -0.047 0.000 0.216 123 A C 2.578 180.112 177.584 -0.083 0.000 1.186 123 A CA 1.745 53.730 52.037 -0.088 0.000 0.620 123 A CB -0.734 18.227 19.000 -0.065 0.000 0.822 123 A HN 0.385 nan 8.150 nan 0.000 0.443 124 A N -0.206 122.559 122.820 -0.091 0.000 1.940 124 A HA -0.190 4.102 4.320 -0.047 0.000 0.219 124 A C 2.140 179.675 177.584 -0.082 0.000 1.176 124 A CA 1.656 53.645 52.037 -0.081 0.000 0.631 124 A CB -0.415 18.534 19.000 -0.085 0.000 0.814 124 A HN 0.567 nan 8.150 nan 0.000 0.446 125 R N -0.819 119.621 120.500 -0.101 0.000 2.317 125 R HA 0.081 4.392 4.340 -0.047 0.000 0.208 125 R C -0.205 176.045 176.300 -0.083 0.000 0.914 125 R CA 0.273 56.317 56.100 -0.093 0.000 1.060 125 R CB 0.021 30.251 30.300 -0.116 0.000 1.015 125 R HN 0.508 nan 8.270 nan 0.000 0.498 126 N N 0.805 119.458 118.700 -0.078 0.000 2.725 126 N HA -0.183 4.529 4.740 -0.047 0.000 0.249 126 N C -0.879 174.591 175.510 -0.066 0.000 1.103 126 N CA 0.985 53.997 53.050 -0.063 0.000 0.707 126 N CB -1.377 37.081 38.487 -0.048 0.000 1.043 126 N HN 0.287 nan 8.380 nan 0.000 0.553 127 L N 0.448 121.619 121.223 -0.088 0.000 2.292 127 L HA 0.287 4.598 4.340 -0.047 0.000 0.284 127 L C 0.796 177.624 176.870 -0.069 0.000 1.065 127 L CA -0.741 54.047 54.840 -0.087 0.000 0.806 127 L CB 1.020 43.005 42.059 -0.122 0.000 1.175 127 L HN -0.084 nan 8.230 nan 0.000 0.431 128 D N 2.346 122.721 120.400 -0.043 0.000 2.339 128 D HA -0.001 4.610 4.640 -0.047 0.000 0.256 128 D C 0.821 177.118 176.300 -0.006 0.000 1.214 128 D CA 0.045 54.034 54.000 -0.019 0.000 0.877 128 D CB 1.766 42.563 40.800 -0.005 0.000 1.111 128 D HN 0.291 nan 8.370 nan 0.000 0.478 129 V N 3.983 123.900 119.914 0.006 0.000 2.453 129 V HA -0.269 3.823 4.120 -0.047 0.000 0.252 129 V C 2.036 178.174 176.094 0.072 0.000 1.068 129 V CA 2.816 65.145 62.300 0.049 0.000 1.070 129 V CB -0.490 31.381 31.823 0.080 0.000 0.664 129 V HN 0.743 nan 8.190 nan 0.000 0.461 130 S N -1.518 114.213 115.700 0.052 0.000 2.555 130 S HA -0.076 4.366 4.470 -0.047 0.000 0.230 130 S C 1.637 176.267 174.600 0.050 0.000 0.978 130 S CA 1.025 59.258 58.200 0.055 0.000 0.934 130 S CB -0.290 62.936 63.200 0.044 0.000 0.766 130 S HN 0.730 nan 8.310 nan 0.000 0.533 131 K N 0.430 120.853 120.400 0.039 0.000 2.355 131 K HA 0.286 4.578 4.320 -0.047 0.000 0.198 131 K C -0.598 176.020 176.600 0.030 0.000 1.039 131 K CA -0.025 56.278 56.287 0.026 0.000 1.075 131 K CB 0.957 33.462 32.500 0.007 0.000 0.870 131 K HN 0.187 nan 8.250 nan 0.000 0.540 132 V N 3.967 123.916 119.914 0.058 0.000 2.356 132 V HA 0.141 4.233 4.120 -0.047 0.000 0.258 132 V C 0.258 176.440 176.094 0.146 0.000 1.065 132 V CA -0.468 61.886 62.300 0.090 0.000 0.935 132 V CB 0.139 32.019 31.823 0.094 0.000 1.061 132 V HN 0.172 nan 8.190 nan 0.000 0.484 133 R N 3.215 123.782 120.500 0.111 0.000 2.582 133 R HA 0.554 4.866 4.340 -0.047 0.000 0.271 133 R C -0.584 175.833 176.300 0.195 0.000 1.078 133 R CA -0.351 55.813 56.100 0.108 0.000 1.127 133 R CB 1.523 31.829 30.300 0.010 0.000 1.038 133 R HN 0.421 nan 8.270 nan 0.000 0.500 134 V N 1.276 121.302 119.914 0.186 0.000 2.531 134 V HA 0.426 4.518 4.120 -0.047 0.000 0.301 134 V C -0.258 175.981 176.094 0.242 0.000 1.034 134 V CA -1.108 61.335 62.300 0.238 0.000 0.865 134 V CB 1.882 33.788 31.823 0.140 0.000 0.995 134 V HN 0.843 nan 8.190 nan 0.000 0.424 135 A N 7.244 130.287 122.820 0.370 0.000 2.316 135 A HA 0.677 4.969 4.320 -0.047 0.000 0.311 135 A C -2.333 175.455 177.584 0.340 0.000 1.339 135 A CA -1.470 50.806 52.037 0.398 0.000 0.960 135 A CB 0.205 19.613 19.000 0.680 0.000 1.152 135 A HN 0.564 nan 8.150 nan 0.000 0.547 136 P HA 0.314 nan 4.420 nan 0.000 0.274 136 P C -0.686 176.789 177.300 0.292 0.000 1.470 136 P CA 0.225 63.484 63.100 0.264 0.000 1.001 136 P CB 0.474 32.384 31.700 0.351 0.000 1.332 137 L N 1.622 123.002 121.223 0.260 0.000 2.358 137 L HA 0.411 4.723 4.340 -0.047 0.000 0.268 137 L C 1.060 178.052 176.870 0.202 0.000 1.032 137 L CA -0.971 54.023 54.840 0.257 0.000 0.805 137 L CB 1.031 43.250 42.059 0.267 0.000 1.253 137 L HN 0.206 nan 8.230 nan 0.000 0.452 138 S N 0.245 116.074 115.700 0.215 0.000 2.569 138 S HA 0.120 4.562 4.470 -0.047 0.000 0.274 138 S C 0.807 175.494 174.600 0.145 0.000 1.353 138 S CA 0.031 58.312 58.200 0.135 0.000 1.023 138 S CB 1.161 64.480 63.200 0.198 0.000 0.876 138 S HN 0.752 nan 8.310 nan 0.000 0.540 139 A N 1.414 124.268 122.820 0.056 0.000 2.063 139 A HA 0.567 4.858 4.320 -0.047 0.000 0.211 139 A C 1.379 179.138 177.584 0.292 0.000 1.177 139 A CA 0.654 52.701 52.037 0.016 0.000 0.759 139 A CB -1.156 17.767 19.000 -0.128 0.000 0.857 139 A HN 1.736 nan 8.150 nan 0.000 0.468 140 G N -1.323 107.607 108.800 0.217 0.000 2.645 140 G HA2 -0.077 3.855 3.960 -0.047 0.000 0.246 140 G HA3 -0.077 3.855 3.960 -0.047 0.000 0.246 140 G C -0.339 174.536 174.900 -0.043 0.000 1.322 140 G CA -0.107 45.079 45.100 0.143 0.000 0.898 140 G HN 1.146 nan 8.290 nan 0.000 0.573 141 V N 0.694 120.352 119.914 -0.426 0.000 2.482 141 V HA 0.755 4.846 4.120 -0.047 0.000 0.295 141 V C -0.252 175.380 176.094 -0.769 0.000 1.026 141 V CA -0.385 61.694 62.300 -0.369 0.000 0.856 141 V CB 1.125 32.804 31.823 -0.240 0.000 1.001 141 V HN 0.713 nan 8.190 nan 0.000 0.424 142 F N 1.424 121.338 119.950 -0.060 0.000 3.043 142 F HA 0.439 4.939 4.527 -0.045 0.000 0.357 142 F C 1.577 177.213 175.800 -0.273 0.000 1.302 142 F CA -0.839 57.062 58.000 -0.166 0.000 1.069 142 F CB 0.455 39.328 39.000 -0.211 0.000 1.539 142 F HN 0.481 nan 8.300 nan 0.000 0.505 143 E N 0.486 120.553 120.200 -0.220 0.000 2.510 143 E HA -0.185 4.137 4.350 -0.047 0.000 0.202 143 E C -0.675 175.819 176.600 -0.177 0.000 1.072 143 E CA 0.853 57.117 56.400 -0.227 0.000 0.883 143 E CB -1.099 28.486 29.700 -0.191 0.000 0.818 143 E HN 0.463 nan 8.360 nan 0.000 0.548 144 Y N 1.182 121.542 120.300 0.100 0.000 2.616 144 Y HA 0.385 4.906 4.550 -0.047 0.000 0.350 144 Y C 1.546 177.463 175.900 0.028 0.000 1.119 144 Y CA -0.513 57.625 58.100 0.062 0.000 1.467 144 Y CB 0.290 38.777 38.460 0.045 0.000 1.287 144 Y HN 0.052 nan 8.280 nan 0.000 0.504 145 A N 2.437 125.348 122.820 0.153 0.000 2.121 145 A HA -0.142 4.149 4.320 -0.047 0.000 0.218 145 A C 2.026 179.648 177.584 0.063 0.000 1.154 145 A CA 1.357 53.441 52.037 0.079 0.000 0.679 145 A CB -0.245 18.789 19.000 0.056 0.000 0.795 145 A HN 0.712 nan 8.150 nan 0.000 0.458 146 E N 0.430 120.680 120.200 0.082 0.000 2.478 146 E HA -0.085 4.237 4.350 -0.047 0.000 0.194 146 E C 0.920 177.534 176.600 0.024 0.000 1.045 146 E CA 0.808 57.234 56.400 0.042 0.000 0.868 146 E CB -0.326 29.396 29.700 0.037 0.000 0.885 146 E HN 0.747 nan 8.360 nan 0.000 0.505 147 E N 1.035 121.261 120.200 0.043 0.000 2.385 147 E HA 0.051 4.373 4.350 -0.047 0.000 0.194 147 E C 0.122 176.712 176.600 -0.017 0.000 1.013 147 E CA -0.152 56.254 56.400 0.010 0.000 0.866 147 E CB 0.086 29.809 29.700 0.038 0.000 0.832 147 E HN 0.179 nan 8.360 nan 0.000 0.500 148 R N 0.655 121.147 120.500 -0.013 0.000 2.507 148 R HA 0.105 4.417 4.340 -0.047 0.000 0.341 148 R C 0.845 177.113 176.300 -0.054 0.000 0.960 148 R CA 0.671 56.747 56.100 -0.039 0.000 1.032 148 R CB 0.020 30.300 30.300 -0.033 0.000 0.933 148 R HN 0.282 nan 8.270 nan 0.000 0.418 149 G N 2.132 110.886 108.800 -0.076 0.000 2.234 149 G HA2 -0.233 3.698 3.960 -0.047 0.000 0.235 149 G HA3 -0.233 3.698 3.960 -0.047 0.000 0.235 149 G C 0.113 174.967 174.900 -0.077 0.000 0.997 149 G CA -0.500 44.550 45.100 -0.084 0.000 0.623 149 G HN 0.419 nan 8.290 nan 0.000 0.514 150 R N 0.886 121.347 120.500 -0.066 0.000 2.404 150 R HA 0.523 4.835 4.340 -0.047 0.000 0.291 150 R C 0.680 176.932 176.300 -0.079 0.000 1.025 150 R CA -0.618 55.445 56.100 -0.062 0.000 0.991 150 R CB 0.860 31.130 30.300 -0.050 0.000 1.053 150 R HN 0.709 nan 8.270 nan 0.000 0.479 151 R N 2.482 122.932 120.500 -0.084 0.000 2.215 151 R HA 0.397 4.709 4.340 -0.047 0.000 0.337 151 R C -0.194 176.040 176.300 -0.110 0.000 1.010 151 R CA -0.492 55.542 56.100 -0.111 0.000 0.871 151 R CB 0.479 30.697 30.300 -0.138 0.000 1.134 151 R HN 0.225 nan 8.270 nan 0.000 0.477 152 I N 3.998 124.499 120.570 -0.116 0.000 2.793 152 I HA 0.469 4.610 4.170 -0.047 0.000 0.313 152 I C 0.208 176.246 176.117 -0.132 0.000 0.998 152 I CA -1.402 59.822 61.300 -0.126 0.000 1.140 152 I CB 1.424 39.329 38.000 -0.159 0.000 1.327 152 I HN 0.677 nan 8.210 nan 0.000 0.491 153 L N 3.623 124.771 121.223 -0.126 0.000 2.455 153 L HA 0.488 4.800 4.340 -0.047 0.000 0.264 153 L C -0.487 176.300 176.870 -0.139 0.000 0.968 153 L CA -0.751 54.036 54.840 -0.089 0.000 0.827 153 L CB 2.637 44.688 42.059 -0.012 0.000 1.317 153 L HN 0.532 nan 8.230 nan 0.000 0.407 154 R N 1.208 121.579 120.500 -0.214 0.000 2.460 154 R HA 0.638 4.949 4.340 -0.047 0.000 0.303 154 R C -0.121 176.144 176.300 -0.058 0.000 0.968 154 R CA -0.699 55.223 56.100 -0.297 0.000 0.889 154 R CB 2.109 31.794 30.300 -1.023 0.000 1.123 154 R HN 0.734 nan 8.270 nan 0.000 0.455 155 G N 2.928 111.740 108.800 0.020 0.000 2.415 155 G HA2 0.586 4.518 3.960 -0.047 0.000 0.327 155 G HA3 0.586 4.518 3.960 -0.047 0.000 0.327 155 G C -0.774 174.286 174.900 0.267 0.000 1.182 155 G CA -0.617 44.555 45.100 0.120 0.000 0.924 155 G HN 0.312 nan 8.290 nan 0.000 0.470 156 L N 1.525 122.982 121.223 0.390 0.000 2.362 156 L HA 0.665 4.977 4.340 -0.047 0.000 0.275 156 L C 0.496 177.526 176.870 0.267 0.000 0.998 156 L CA -0.973 54.093 54.840 0.376 0.000 0.820 156 L CB 2.186 44.577 42.059 0.553 0.000 1.270 156 L HN 0.632 nan 8.230 nan 0.000 0.415 157 A N 3.165 126.024 122.820 0.065 0.000 2.310 157 A HA 0.831 5.122 4.320 -0.047 0.000 0.299 157 A C -1.143 176.121 177.584 -0.533 0.000 1.147 157 A CA -0.094 51.940 52.037 -0.005 0.000 0.818 157 A CB 0.360 19.415 19.000 0.093 0.000 1.096 157 A HN 0.508 nan 8.150 nan 0.000 0.495 158 F N 0.835 120.770 119.950 -0.026 0.000 2.574 158 F HA 0.420 4.921 4.527 -0.043 0.000 0.313 158 F C -0.157 175.594 175.800 -0.081 0.000 1.130 158 F CA -0.665 57.268 58.000 -0.111 0.000 0.936 158 F CB 2.277 41.086 39.000 -0.319 0.000 1.219 158 F HN 0.321 nan 8.300 nan 0.000 0.445 159 V N 2.790 122.767 119.914 0.105 0.000 2.498 159 V HA 0.298 4.389 4.120 -0.047 0.000 0.279 159 V C -0.267 175.853 176.094 0.044 0.000 1.048 159 V CA -0.512 61.805 62.300 0.029 0.000 0.967 159 V CB 1.381 33.163 31.823 -0.069 0.000 0.988 159 V HN 0.780 nan 8.190 nan 0.000 0.473 160 Q N 3.183 122.972 119.800 -0.018 0.000 2.508 160 Q HA 0.214 4.526 4.340 -0.047 0.000 0.247 160 Q C 0.232 176.183 176.000 -0.082 0.000 1.047 160 Q CA -0.508 55.256 55.803 -0.064 0.000 0.783 160 Q CB 0.888 29.574 28.738 -0.087 0.000 1.172 160 Q HN 0.793 nan 8.270 nan 0.000 0.515 161 D N 3.168 123.504 120.400 -0.106 0.000 2.315 161 D HA -0.076 4.535 4.640 -0.047 0.000 0.211 161 D C 0.016 176.440 176.300 0.208 0.000 0.977 161 D CA 1.239 55.262 54.000 0.038 0.000 0.894 161 D CB 0.024 40.927 40.800 0.171 0.000 0.910 161 D HN 0.441 nan 8.370 nan 0.000 0.490 162 F N -5.020 114.947 119.950 0.028 0.000 2.769 162 F HA 0.253 4.747 4.527 -0.055 0.000 0.313 162 F C -2.439 173.366 175.800 0.010 0.000 1.146 162 F CA -1.678 56.328 58.000 0.010 0.000 0.934 162 F CB 0.513 39.509 39.000 -0.007 0.000 1.283 162 F HN -0.408 nan 8.300 nan 0.000 0.443 163 P HA -0.242 nan 4.420 nan 0.000 0.217 163 P C 0.731 178.059 177.300 0.048 0.000 1.162 163 P CA 2.179 65.337 63.100 0.096 0.000 0.901 163 P CB 0.174 31.945 31.700 0.117 0.000 0.793 164 E N -0.275 120.024 120.200 0.166 0.000 2.511 164 E HA -0.025 4.297 4.350 -0.047 0.000 0.196 164 E C 0.387 176.905 176.600 -0.137 0.000 1.066 164 E CA 0.257 56.709 56.400 0.087 0.000 0.871 164 E CB -0.791 29.040 29.700 0.217 0.000 0.863 164 E HN 0.396 nan 8.360 nan 0.000 0.520 165 D N 0.192 120.266 120.400 -0.542 0.000 2.372 165 D HA -0.004 4.608 4.640 -0.047 0.000 0.243 165 D C -0.538 175.568 176.300 -0.323 0.000 1.121 165 D CA 0.071 53.618 54.000 -0.755 0.000 0.898 165 D CB 0.820 40.852 40.800 -1.280 0.000 1.202 165 D HN -0.249 nan 8.370 nan 0.000 0.428 166 S N 2.174 117.743 115.700 -0.218 0.000 2.415 166 S HA 0.443 4.884 4.470 -0.047 0.000 0.313 166 S C 0.902 175.444 174.600 -0.097 0.000 1.067 166 S CA -0.345 57.790 58.200 -0.108 0.000 1.099 166 S CB 0.383 63.542 63.200 -0.069 0.000 0.991 166 S HN 0.517 nan 8.310 nan 0.000 0.491 167 A N 4.608 127.275 122.820 -0.255 0.000 2.172 167 A HA 0.013 4.304 4.320 -0.047 0.000 0.216 167 A C 1.292 178.720 177.584 -0.260 0.000 1.154 167 A CA 0.586 52.487 52.037 -0.226 0.000 0.701 167 A CB -0.607 18.190 19.000 -0.338 0.000 0.789 167 A HN 0.985 nan 8.150 nan 0.000 0.465 168 W N -0.367 120.916 121.300 -0.027 0.000 2.465 168 W HA 0.073 4.710 4.660 -0.039 0.000 0.268 168 W C 2.326 178.948 176.519 0.171 0.000 1.242 168 W CA 0.657 57.966 57.345 -0.060 0.000 1.248 168 W CB -0.030 29.397 29.460 -0.055 0.000 1.118 168 W HN 0.356 nan 8.180 nan 0.000 0.587 169 A N -0.654 122.310 122.820 0.240 0.000 2.168 169 A HA -0.056 4.236 4.320 -0.047 0.000 0.215 169 A C 0.529 177.885 177.584 -0.380 0.000 1.152 169 A CA 0.797 52.839 52.037 0.009 0.000 0.716 169 A CB -0.590 18.305 19.000 -0.175 0.000 0.794 169 A HN 0.315 nan 8.150 nan 0.000 0.465 170 H N -0.104 119.071 119.070 0.175 0.000 2.386 170 H HA 0.243 4.782 4.556 -0.028 0.000 0.232 170 H C -2.941 172.399 175.328 0.021 0.000 1.416 170 H CA -2.233 53.856 56.048 0.068 0.000 1.285 170 H CB -0.171 29.603 29.762 0.020 0.000 1.625 170 H HN 0.343 nan 8.280 nan 0.000 0.521 171 P HA 0.025 nan 4.420 nan 0.000 0.276 171 P C 0.340 177.459 177.300 -0.302 0.000 1.230 171 P CA -0.288 62.587 63.100 -0.375 0.000 0.776 171 P CB 2.034 33.568 31.700 -0.277 0.000 0.888 172 V N 4.179 123.854 119.914 -0.399 0.000 2.304 172 V HA 0.133 4.224 4.120 -0.047 0.000 0.262 172 V C 0.740 176.701 176.094 -0.221 0.000 1.061 172 V CA -0.102 62.058 62.300 -0.233 0.000 0.872 172 V CB 0.304 31.989 31.823 -0.228 0.000 1.077 172 V HN 0.536 nan 8.190 nan 0.000 0.480 173 D N 3.252 123.543 120.400 -0.182 0.000 2.383 173 D HA 0.435 5.046 4.640 -0.047 0.000 0.248 173 D C 1.269 177.599 176.300 0.051 0.000 1.170 173 D CA 1.132 54.974 54.000 -0.262 0.000 0.977 173 D CB 1.711 42.075 40.800 -0.727 0.000 1.120 173 D HN 0.735 nan 8.370 nan 0.000 0.481 174 G N 0.025 108.868 108.800 0.071 0.000 2.148 174 G HA2 -0.208 3.724 3.960 -0.047 0.000 0.254 174 G HA3 -0.208 3.724 3.960 -0.047 0.000 0.254 174 G C -0.143 174.848 174.900 0.151 0.000 0.981 174 G CA 0.676 45.996 45.100 0.366 0.000 0.670 174 G HN 0.492 nan 8.290 nan 0.000 0.528 175 L N -0.347 120.923 121.223 0.078 0.000 2.455 175 L HA 0.915 5.227 4.340 -0.047 0.000 0.264 175 L C -0.850 176.111 176.870 0.152 0.000 0.968 175 L CA -1.046 53.831 54.840 0.061 0.000 0.827 175 L CB 2.470 44.489 42.059 -0.067 0.000 1.317 175 L HN 0.714 nan 8.230 nan 0.000 0.407 176 V N 3.887 123.916 119.914 0.192 0.000 2.924 176 V HA 0.932 5.024 4.120 -0.047 0.000 0.300 176 V C -1.301 174.837 176.094 0.073 0.000 1.227 176 V CA 0.315 62.749 62.300 0.223 0.000 0.954 176 V CB 1.989 33.976 31.823 0.274 0.000 1.055 176 V HN 1.225 nan 8.190 nan 0.000 0.429 177 A N 5.557 128.407 122.820 0.051 0.000 2.355 177 A HA 0.965 5.256 4.320 -0.047 0.000 0.324 177 A C -1.824 175.726 177.584 -0.057 0.000 1.117 177 A CA -0.460 51.493 52.037 -0.140 0.000 0.785 177 A CB 1.443 20.267 19.000 -0.293 0.000 1.254 177 A HN 0.853 nan 8.150 nan 0.000 0.453 178 Y N 0.546 120.713 120.300 -0.221 0.000 2.352 178 Y HA 0.586 5.108 4.550 -0.046 0.000 0.339 178 Y C -0.143 175.631 175.900 -0.210 0.000 0.992 178 Y CA -1.577 56.366 58.100 -0.261 0.000 1.100 178 Y CB 1.721 39.992 38.460 -0.313 0.000 1.192 178 Y HN 0.354 nan 8.280 nan 0.000 0.458 179 V N 3.095 122.989 119.914 -0.033 0.000 2.656 179 V HA 0.242 4.334 4.120 -0.047 0.000 0.307 179 V C -0.577 175.475 176.094 -0.070 0.000 1.051 179 V CA -1.112 61.146 62.300 -0.070 0.000 0.893 179 V CB 2.292 34.057 31.823 -0.097 0.000 0.999 179 V HN 0.640 nan 8.190 nan 0.000 0.426 180 D N 3.074 123.437 120.400 -0.062 0.000 2.393 180 D HA 0.154 4.765 4.640 -0.047 0.000 0.232 180 D C 1.026 177.293 176.300 -0.056 0.000 1.192 180 D CA -0.130 53.834 54.000 -0.059 0.000 0.882 180 D CB 1.891 42.662 40.800 -0.047 0.000 1.038 180 D HN 0.474 nan 8.370 nan 0.000 0.499 181 V N 2.158 122.033 119.914 -0.065 0.000 3.141 181 V HA -0.073 4.019 4.120 -0.047 0.000 0.265 181 V C 1.763 177.839 176.094 -0.030 0.000 1.126 181 V CA 0.423 62.688 62.300 -0.058 0.000 1.141 181 V CB -0.241 31.528 31.823 -0.091 0.000 0.743 181 V HN 0.339 nan 8.190 nan 0.000 0.492 182 V N 1.730 121.632 119.914 -0.021 0.000 2.374 182 V HA -0.075 4.017 4.120 -0.047 0.000 0.241 182 V C 2.713 178.803 176.094 -0.008 0.000 1.034 182 V CA 2.056 64.360 62.300 0.007 0.000 1.037 182 V CB 0.068 31.900 31.823 0.016 0.000 0.682 182 V HN 0.764 nan 8.190 nan 0.000 0.463 183 S N -0.989 114.699 115.700 -0.019 0.000 2.603 183 S HA 0.016 4.458 4.470 -0.047 0.000 0.220 183 S C 0.645 175.232 174.600 -0.022 0.000 0.967 183 S CA -0.192 57.995 58.200 -0.021 0.000 0.920 183 S CB -0.278 62.907 63.200 -0.024 0.000 0.773 183 S HN 0.528 nan 8.310 nan 0.000 0.529 184 K N 1.211 121.596 120.400 -0.025 0.000 3.689 184 K HA -0.188 4.103 4.320 -0.047 0.000 0.276 184 K C -0.424 176.155 176.600 -0.034 0.000 0.932 184 K CA 1.000 57.271 56.287 -0.028 0.000 0.758 184 K CB -1.811 30.678 32.500 -0.018 0.000 1.500 184 K HN 0.871 nan 8.250 nan 0.000 0.448 185 E N 0.240 120.414 120.200 -0.043 0.000 2.278 185 E HA 0.238 4.559 4.350 -0.047 0.000 0.272 185 E C -0.826 175.739 176.600 -0.059 0.000 0.890 185 E CA -0.710 55.662 56.400 -0.045 0.000 0.770 185 E CB 1.750 31.428 29.700 -0.036 0.000 1.212 185 E HN 0.044 nan 8.360 nan 0.000 0.415 186 V N 4.813 124.685 119.914 -0.070 0.000 2.364 186 V HA 0.011 4.103 4.120 -0.047 0.000 0.252 186 V C 1.564 177.616 176.094 -0.070 0.000 1.075 186 V CA 0.780 63.026 62.300 -0.089 0.000 1.033 186 V CB -0.008 31.747 31.823 -0.113 0.000 1.116 186 V HN 0.883 nan 8.190 nan 0.000 0.488 187 T N 2.167 116.685 114.554 -0.059 0.000 3.035 187 T HA 0.092 4.413 4.350 -0.047 0.000 0.268 187 T C 0.791 175.439 174.700 -0.086 0.000 1.109 187 T CA 0.593 62.662 62.100 -0.052 0.000 1.119 187 T CB 0.297 69.147 68.868 -0.031 0.000 0.900 187 T HN 0.534 nan 8.240 nan 0.000 0.503 188 R N -0.838 119.577 120.500 -0.141 0.000 2.664 188 R HA 0.589 4.901 4.340 -0.047 0.000 0.266 188 R C -2.302 173.839 176.300 -0.264 0.000 1.046 188 R CA -0.666 55.282 56.100 -0.253 0.000 0.885 188 R CB 2.654 32.654 30.300 -0.500 0.000 1.254 188 R HN 0.062 nan 8.270 nan 0.000 0.465 189 V N 4.340 124.141 119.914 -0.188 0.000 2.509 189 V HA 0.424 4.516 4.120 -0.047 0.000 0.289 189 V C -0.502 175.541 176.094 -0.085 0.000 1.026 189 V CA -0.531 61.731 62.300 -0.063 0.000 0.872 189 V CB 1.744 33.618 31.823 0.084 0.000 1.017 189 V HN 0.544 nan 8.190 nan 0.000 0.436 190 I N 3.974 124.476 120.570 -0.113 0.000 2.336 190 I HA 0.489 4.631 4.170 -0.047 0.000 0.292 190 I C -0.600 175.516 176.117 -0.002 0.000 0.991 190 I CA -0.176 61.079 61.300 -0.075 0.000 1.227 190 I CB 1.660 39.600 38.000 -0.100 0.000 1.366 190 I HN 0.476 nan 8.210 nan 0.000 0.466 191 D N 4.627 125.025 120.400 -0.003 0.000 2.440 191 D HA 0.223 4.835 4.640 -0.047 0.000 0.252 191 D C 0.560 176.866 176.300 0.011 0.000 1.180 191 D CA -0.315 53.686 54.000 0.002 0.000 0.894 191 D CB 1.631 42.414 40.800 -0.028 0.000 1.111 191 D HN 0.470 nan 8.370 nan 0.000 0.544 192 T N 0.725 115.309 114.554 0.051 0.000 3.014 192 T HA 0.361 4.682 4.350 -0.047 0.000 0.263 192 T C 0.940 175.633 174.700 -0.012 0.000 1.078 192 T CA 0.470 62.602 62.100 0.053 0.000 1.135 192 T CB 0.332 69.278 68.868 0.129 0.000 0.895 192 T HN 0.598 nan 8.240 nan 0.000 0.480 193 G N 0.022 108.799 108.800 -0.039 0.000 2.340 193 G HA2 0.384 4.316 3.960 -0.047 0.000 0.300 193 G HA3 0.384 4.316 3.960 -0.047 0.000 0.300 193 G C -1.722 173.046 174.900 -0.220 0.000 1.488 193 G CA -1.033 43.947 45.100 -0.199 0.000 0.878 193 G HN 0.053 nan 8.290 nan 0.000 0.618 194 V N 0.652 120.408 119.914 -0.263 0.000 2.461 194 V HA 0.616 4.707 4.120 -0.047 0.000 0.275 194 V C -0.428 175.496 176.094 -0.284 0.000 1.047 194 V CA 0.022 62.218 62.300 -0.173 0.000 0.955 194 V CB 0.544 32.288 31.823 -0.131 0.000 0.988 194 V HN 0.497 nan 8.190 nan 0.000 0.471 195 F N 4.561 124.467 119.950 -0.074 0.000 2.532 195 F HA 0.564 5.056 4.527 -0.059 0.000 0.321 195 F C -1.989 173.773 175.800 -0.064 0.000 1.089 195 F CA -2.398 55.562 58.000 -0.067 0.000 0.926 195 F CB 1.804 40.761 39.000 -0.071 0.000 1.168 195 F HN 0.342 nan 8.300 nan 0.000 0.459 196 P HA 0.083 nan 4.420 nan 0.000 0.266 196 P C -0.902 176.434 177.300 0.060 0.000 1.195 196 P CA -0.152 62.986 63.100 0.062 0.000 0.768 196 P CB 0.552 32.283 31.700 0.053 0.000 0.838 197 V N 6.254 126.183 119.914 0.024 0.000 2.385 197 V HA 0.175 4.266 4.120 -0.047 0.000 0.269 197 V C -1.889 174.235 176.094 0.051 0.000 1.043 197 V CA -1.601 60.710 62.300 0.019 0.000 0.906 197 V CB 0.601 32.416 31.823 -0.013 0.000 0.995 197 V HN 0.574 nan 8.190 nan 0.000 0.467 198 P HA -0.024 nan 4.420 nan 0.000 0.257 198 P C 0.481 177.882 177.300 0.168 0.000 1.162 198 P CA 0.462 63.603 63.100 0.068 0.000 0.762 198 P CB 0.707 32.407 31.700 0.000 0.000 0.753 199 A N 3.957 126.831 122.820 0.089 0.000 2.030 199 A HA -0.025 4.266 4.320 -0.047 0.000 0.215 199 A C 0.825 178.425 177.584 0.027 0.000 1.164 199 A CA 0.482 52.554 52.037 0.060 0.000 0.697 199 A CB -0.522 18.485 19.000 0.013 0.000 0.827 199 A HN 0.657 nan 8.150 nan 0.000 0.457 200 E N 0.707 120.930 120.200 0.037 0.000 2.343 200 E HA 0.266 4.588 4.350 -0.047 0.000 0.269 200 E C -0.881 175.723 176.600 0.007 0.000 1.047 200 E CA -0.743 55.662 56.400 0.009 0.000 0.874 200 E CB 0.352 30.111 29.700 0.098 0.000 1.033 200 E HN 0.519 nan 8.360 nan 0.000 0.409 201 H N 1.263 120.476 119.070 0.238 0.000 2.551 201 H HA 0.259 4.788 4.556 -0.045 0.000 0.358 201 H C 0.324 175.739 175.328 0.144 0.000 1.151 201 H CA -0.060 56.095 56.048 0.179 0.000 1.374 201 H CB 1.530 31.409 29.762 0.194 0.000 1.473 201 H HN 0.820 nan 8.280 nan 0.000 0.574 202 G N 1.953 110.859 108.800 0.176 0.000 4.959 202 G HA2 -0.013 3.919 3.960 -0.047 0.000 0.297 202 G HA3 -0.013 3.919 3.960 -0.047 0.000 0.297 202 G C -0.243 174.561 174.900 -0.161 0.000 1.351 202 G CA -0.539 44.542 45.100 -0.032 0.000 1.016 202 G HN 0.429 nan 8.290 nan 0.000 0.592 203 N N 1.680 120.325 118.700 -0.093 0.000 2.602 203 N HA 0.119 4.831 4.740 -0.047 0.000 0.238 203 N C 0.851 176.217 175.510 -0.241 0.000 1.084 203 N CA -0.556 52.336 53.050 -0.262 0.000 0.952 203 N CB 0.596 39.015 38.487 -0.113 0.000 1.244 203 N HN 0.570 nan 8.380 nan 0.000 0.512 204 Y N -0.474 119.779 120.300 -0.078 0.000 2.716 204 Y HA -0.047 4.475 4.550 -0.046 0.000 0.302 204 Y C 1.488 177.367 175.900 -0.035 0.000 1.160 204 Y CA 0.315 58.369 58.100 -0.075 0.000 1.362 204 Y CB -0.845 37.546 38.460 -0.114 0.000 0.988 204 Y HN 0.254 nan 8.280 nan 0.000 0.546 205 T N -4.162 110.355 114.554 -0.060 0.000 3.044 205 T HA 0.085 4.407 4.350 -0.047 0.000 0.260 205 T C -0.094 174.605 174.700 -0.002 0.000 1.019 205 T CA -0.152 61.951 62.100 0.004 0.000 0.921 205 T CB -0.005 68.851 68.868 -0.021 0.000 1.053 205 T HN 0.202 nan 8.240 nan 0.000 0.533 206 D N 2.303 122.696 120.400 -0.012 0.000 2.313 206 D HA 0.330 4.941 4.640 -0.047 0.000 0.239 206 D C -1.846 174.463 176.300 0.016 0.000 1.142 206 D CA -2.672 51.331 54.000 0.004 0.000 0.847 206 D CB 1.919 42.724 40.800 0.009 0.000 1.082 206 D HN -0.096 nan 8.370 nan 0.000 0.480 207 P HA -0.138 nan 4.420 nan 0.000 0.218 207 P C 0.747 178.060 177.300 0.021 0.000 1.146 207 P CA 0.880 63.990 63.100 0.017 0.000 0.813 207 P CB 0.358 32.063 31.700 0.010 0.000 0.778 208 E N -1.404 118.808 120.200 0.021 0.000 2.274 208 E HA -0.091 4.230 4.350 -0.047 0.000 0.194 208 E C 1.685 178.312 176.600 0.046 0.000 0.996 208 E CA 0.656 57.075 56.400 0.031 0.000 0.840 208 E CB -0.554 29.165 29.700 0.030 0.000 0.772 208 E HN 0.272 nan 8.360 nan 0.000 0.491 209 L N 0.479 121.730 121.223 0.047 0.000 2.262 209 L HA -0.006 4.305 4.340 -0.047 0.000 0.197 209 L C 2.343 179.241 176.870 0.046 0.000 1.073 209 L CA 1.843 56.716 54.840 0.056 0.000 0.800 209 L CB -0.943 41.151 42.059 0.058 0.000 0.987 209 L HN 0.109 nan 8.230 nan 0.000 0.470 210 T N -1.935 112.643 114.554 0.041 0.000 2.788 210 T HA 0.252 4.574 4.350 -0.047 0.000 0.268 210 T C 1.241 175.960 174.700 0.031 0.000 1.044 210 T CA 0.810 62.933 62.100 0.037 0.000 1.139 210 T CB -1.119 67.772 68.868 0.038 0.000 0.867 210 T HN 0.881 nan 8.240 nan 0.000 0.454 211 G N 1.748 110.565 108.800 0.029 0.000 2.741 211 G HA2 -0.044 3.887 3.960 -0.047 0.000 0.222 211 G HA3 -0.044 3.887 3.960 -0.047 0.000 0.222 211 G C -2.877 172.035 174.900 0.020 0.000 1.364 211 G CA -0.688 44.426 45.100 0.024 0.000 0.866 211 G HN 0.568 nan 8.290 nan 0.000 0.555 212 P HA 0.454 nan 4.420 nan 0.000 0.271 212 P C 0.226 177.534 177.300 0.013 0.000 1.220 212 P CA -0.501 62.607 63.100 0.014 0.000 0.768 212 P CB 0.576 32.283 31.700 0.012 0.000 0.848 213 L N 3.764 124.994 121.223 0.013 0.000 2.472 213 L HA 0.164 4.475 4.340 -0.047 0.000 0.260 213 L C 1.199 178.075 176.870 0.009 0.000 1.209 213 L CA 0.227 55.075 54.840 0.012 0.000 0.817 213 L CB -0.122 41.944 42.059 0.012 0.000 1.106 213 L HN 0.306 nan 8.230 nan 0.000 0.479 214 R N -0.018 120.487 120.500 0.007 0.000 2.389 214 R HA 0.233 4.545 4.340 -0.047 0.000 0.295 214 R C 0.306 176.609 176.300 0.004 0.000 1.075 214 R CA 0.394 56.497 56.100 0.005 0.000 1.005 214 R CB 0.361 30.663 30.300 0.003 0.000 0.987 214 R HN 0.758 nan 8.270 nan 0.000 0.452 215 T N -2.976 111.581 114.554 0.004 0.000 3.182 215 T HA -0.001 4.321 4.350 -0.047 0.000 0.277 215 T C 1.320 176.021 174.700 0.002 0.000 1.013 215 T CA -0.057 62.045 62.100 0.003 0.000 0.900 215 T CB 0.359 69.230 68.868 0.004 0.000 1.098 215 T HN 0.638 nan 8.240 nan 0.000 0.543 216 T N -0.504 114.051 114.554 0.001 0.000 3.035 216 T HA 0.106 4.428 4.350 -0.047 0.000 0.259 216 T C 0.833 175.532 174.700 -0.001 0.000 1.078 216 T CA -0.002 62.098 62.100 0.000 0.000 1.132 216 T CB -0.360 68.507 68.868 -0.001 0.000 0.900 216 T HN 0.444 nan 8.240 nan 0.000 0.480 217 Q N 1.987 121.787 119.800 -0.001 0.000 2.297 217 Q HA 0.286 4.598 4.340 -0.047 0.000 0.267 217 Q C -0.302 175.698 176.000 -0.000 0.000 1.006 217 Q CA 0.057 55.859 55.803 -0.002 0.000 0.896 217 Q CB 0.723 29.460 28.738 -0.002 0.000 1.186 217 Q HN 0.296 nan 8.270 nan 0.000 0.392 218 K N 2.635 123.035 120.400 -0.001 0.000 2.185 218 K HA 0.522 4.813 4.320 -0.047 0.000 0.240 218 K C -2.277 174.324 176.600 0.002 0.000 0.983 218 K CA -1.956 54.331 56.287 0.001 0.000 0.873 218 K CB 0.448 32.948 32.500 -0.000 0.000 1.118 218 K HN 0.406 nan 8.250 nan 0.000 0.441 219 P HA 0.285 nan 4.420 nan 0.000 0.271 219 P C -0.625 176.678 177.300 0.006 0.000 1.216 219 P CA -0.039 63.065 63.100 0.005 0.000 0.771 219 P CB 0.376 32.080 31.700 0.007 0.000 0.864 220 I N 1.811 122.386 120.570 0.008 0.000 2.382 220 I HA 0.168 4.310 4.170 -0.047 0.000 0.285 220 I C -0.181 175.945 176.117 0.015 0.000 1.007 220 I CA -0.327 60.979 61.300 0.010 0.000 1.142 220 I CB 1.360 39.366 38.000 0.010 0.000 1.289 220 I HN 0.224 nan 8.210 nan 0.000 0.453 221 S N 7.405 123.114 115.700 0.016 0.000 2.438 221 S HA 0.570 5.012 4.470 -0.047 0.000 0.293 221 S C -0.161 174.454 174.600 0.026 0.000 1.141 221 S CA -0.472 57.739 58.200 0.019 0.000 1.080 221 S CB 0.960 64.171 63.200 0.017 0.000 0.978 221 S HN 0.371 nan 8.310 nan 0.000 0.479 222 I N 3.981 124.570 120.570 0.031 0.000 2.355 222 I HA 0.373 4.515 4.170 -0.047 0.000 0.288 222 I C 0.362 176.505 176.117 0.044 0.000 0.999 222 I CA -0.264 61.062 61.300 0.044 0.000 1.163 222 I CB 1.458 39.492 38.000 0.057 0.000 1.316 222 I HN 0.642 nan 8.210 nan 0.000 0.454 223 T N 2.097 116.678 114.554 0.045 0.000 2.887 223 T HA 0.512 4.833 4.350 -0.047 0.000 0.292 223 T C -0.703 174.027 174.700 0.050 0.000 1.087 223 T CA -0.885 61.241 62.100 0.042 0.000 1.009 223 T CB 2.332 71.219 68.868 0.031 0.000 1.203 223 T HN 0.489 nan 8.240 nan 0.000 0.518 224 Q N 0.752 120.578 119.800 0.044 0.000 2.771 224 Q HA 0.258 4.570 4.340 -0.047 0.000 0.247 224 Q C -2.242 173.774 176.000 0.026 0.000 0.986 224 Q CA -1.825 54.004 55.803 0.044 0.000 0.713 224 Q CB 1.818 30.587 28.738 0.051 0.000 1.241 224 Q HN 0.499 nan 8.270 nan 0.000 0.488 225 P HA -0.209 nan 4.420 nan 0.000 0.218 225 P C 0.196 177.502 177.300 0.010 0.000 1.146 225 P CA 1.505 64.615 63.100 0.016 0.000 0.820 225 P CB 0.367 32.077 31.700 0.016 0.000 0.778 226 E N -1.545 118.660 120.200 0.009 0.000 2.603 226 E HA 0.377 4.699 4.350 -0.047 0.000 0.211 226 E C 0.582 177.175 176.600 -0.012 0.000 0.995 226 E CA -0.077 56.323 56.400 0.000 0.000 0.990 226 E CB 0.378 30.079 29.700 0.002 0.000 1.036 226 E HN 0.115 nan 8.360 nan 0.000 0.475 227 G N 2.801 111.593 108.800 -0.014 0.000 2.746 227 G HA2 -0.181 3.751 3.960 -0.047 0.000 0.685 227 G HA3 -0.181 3.751 3.960 -0.047 0.000 0.685 227 G C -2.739 172.127 174.900 -0.056 0.000 1.350 227 G CA -0.906 44.167 45.100 -0.044 0.000 0.837 227 G HN -0.030 nan 8.290 nan 0.000 0.564 228 P HA 0.332 nan 4.420 nan 0.000 0.277 228 P C 0.627 177.855 177.300 -0.120 0.000 1.276 228 P CA 0.208 63.227 63.100 -0.135 0.000 0.788 228 P CB 0.854 32.248 31.700 -0.510 0.000 1.114 229 S N -1.373 114.373 115.700 0.077 0.000 2.535 229 S HA 0.161 4.602 4.470 -0.047 0.000 0.214 229 S C 0.627 175.377 174.600 0.251 0.000 0.980 229 S CA -0.139 58.147 58.200 0.143 0.000 0.907 229 S CB -0.702 62.614 63.200 0.193 0.000 0.790 229 S HN 0.527 nan 8.310 nan 0.000 0.510 230 F N 2.467 122.627 119.950 0.351 0.000 2.377 230 F HA 0.731 5.230 4.527 -0.047 0.000 0.328 230 F C 0.135 176.029 175.800 0.156 0.000 1.094 230 F CA -1.034 57.151 58.000 0.308 0.000 1.093 230 F CB 0.332 39.469 39.000 0.228 0.000 1.214 230 F HN -0.115 nan 8.300 nan 0.000 0.518 231 T N 0.307 115.021 114.554 0.267 0.000 2.829 231 T HA 0.686 5.008 4.350 -0.047 0.000 0.280 231 T C -0.985 173.866 174.700 0.253 0.000 0.999 231 T CA -0.805 61.387 62.100 0.154 0.000 0.983 231 T CB 1.285 70.226 68.868 0.121 0.000 0.968 231 T HN 0.658 nan 8.240 nan 0.000 0.446 232 V N 4.184 124.232 119.914 0.222 0.000 2.347 232 V HA 0.638 4.730 4.120 -0.047 0.000 0.280 232 V C 0.590 176.784 176.094 0.166 0.000 1.021 232 V CA -0.640 61.788 62.300 0.213 0.000 0.847 232 V CB 0.829 32.782 31.823 0.216 0.000 0.990 232 V HN 1.230 nan 8.190 nan 0.000 0.444 233 T N 0.312 114.981 114.554 0.192 0.000 2.908 233 T HA 0.682 5.004 4.350 -0.047 0.000 0.290 233 T C 0.788 175.583 174.700 0.159 0.000 1.034 233 T CA -0.077 62.118 62.100 0.158 0.000 1.010 233 T CB 1.761 70.722 68.868 0.154 0.000 1.068 233 T HN 1.646 nan 8.240 nan 0.000 0.481 234 G N 0.025 108.887 108.800 0.104 0.000 2.225 234 G HA2 0.119 4.051 3.960 -0.047 0.000 0.267 234 G HA3 0.119 4.051 3.960 -0.047 0.000 0.267 234 G C 1.300 176.261 174.900 0.102 0.000 1.024 234 G CA 0.872 46.025 45.100 0.089 0.000 0.784 234 G HN 2.358 nan 8.290 nan 0.000 0.507 235 G N 0.064 108.923 108.800 0.099 0.000 2.779 235 G HA2 -0.323 3.608 3.960 -0.047 0.000 0.230 235 G HA3 -0.323 3.608 3.960 -0.047 0.000 0.230 235 G C 0.974 175.936 174.900 0.103 0.000 1.243 235 G CA 1.299 46.454 45.100 0.092 0.000 0.769 235 G HN 2.190 nan 8.290 nan 0.000 0.516 236 N N -0.115 118.658 118.700 0.122 0.000 2.240 236 N HA 0.123 4.835 4.740 -0.047 0.000 0.240 236 N C -0.204 175.387 175.510 0.136 0.000 1.277 236 N CA 0.107 53.224 53.050 0.112 0.000 0.873 236 N CB -0.274 38.277 38.487 0.106 0.000 1.222 236 N HN 0.631 nan 8.380 nan 0.000 0.507 237 H N 1.632 120.747 119.070 0.075 0.000 2.640 237 H HA 0.290 4.818 4.556 -0.047 0.000 0.297 237 H C -0.765 174.617 175.328 0.091 0.000 1.073 237 H CA -0.404 55.688 56.048 0.073 0.000 1.305 237 H CB 0.889 30.695 29.762 0.073 0.000 1.404 237 H HN -0.034 nan 8.280 nan 0.000 0.459 238 I N 4.692 125.066 120.570 -0.326 0.000 2.359 238 I HA 0.230 4.372 4.170 -0.047 0.000 0.294 238 I C 0.253 176.258 176.117 -0.186 0.000 0.987 238 I CA -0.459 60.752 61.300 -0.149 0.000 1.225 238 I CB 1.385 39.309 38.000 -0.126 0.000 1.366 238 I HN 0.586 nan 8.210 nan 0.000 0.466 239 E N 5.431 125.676 120.200 0.075 0.000 2.216 239 E HA 0.360 4.682 4.350 -0.047 0.000 0.260 239 E C -1.758 175.043 176.600 0.334 0.000 0.880 239 E CA -0.572 55.921 56.400 0.155 0.000 0.765 239 E CB 2.493 32.285 29.700 0.154 0.000 1.174 239 E HN 0.589 nan 8.360 nan 0.000 0.417 240 W N 4.091 125.468 121.300 0.128 0.000 3.326 240 W HA 0.157 4.789 4.660 -0.047 0.000 0.333 240 W C -0.713 175.926 176.519 0.201 0.000 1.108 240 W CA -0.407 57.043 57.345 0.174 0.000 1.245 240 W CB 0.997 30.565 29.460 0.180 0.000 1.331 240 W HN 0.335 nan 8.180 nan 0.000 0.464 241 E N 5.779 125.700 120.200 -0.466 0.000 2.197 241 E HA -0.319 4.003 4.350 -0.047 0.000 0.184 241 E C 0.562 176.914 176.600 -0.413 0.000 1.439 241 E CA 1.833 57.883 56.400 -0.584 0.000 0.688 241 E CB -1.072 27.927 29.700 -1.170 0.000 1.090 241 E HN 0.913 nan 8.360 nan 0.000 0.341 242 K N -3.537 116.648 120.400 -0.358 0.000 3.610 242 K HA -0.254 4.038 4.320 -0.047 0.000 0.283 242 K C 0.193 176.430 176.600 -0.605 0.000 1.210 242 K CA 1.921 57.857 56.287 -0.585 0.000 1.026 242 K CB -1.290 30.614 32.500 -0.993 0.000 1.295 242 K HN 0.317 nan 8.250 nan 0.000 0.468 243 W N 1.792 122.904 121.300 -0.314 0.000 2.283 243 W HA 0.411 5.042 4.660 -0.047 0.000 0.341 243 W C 0.711 177.219 176.519 -0.019 0.000 1.206 243 W CA 0.140 57.436 57.345 -0.081 0.000 1.294 243 W CB 1.306 30.873 29.460 0.179 0.000 1.154 243 W HN 0.117 nan 8.180 nan 0.000 0.613 244 S N 2.741 118.610 115.700 0.281 0.000 2.533 244 S HA 0.859 5.300 4.470 -0.047 0.000 0.271 244 S C -1.151 173.454 174.600 0.009 0.000 1.143 244 S CA -0.974 57.263 58.200 0.062 0.000 0.891 244 S CB 1.048 64.318 63.200 0.116 0.000 1.105 244 S HN 0.870 nan 8.310 nan 0.000 0.468 245 L N -1.044 120.052 121.223 -0.211 0.000 3.041 245 L HA 0.762 5.074 4.340 -0.047 0.000 0.278 245 L C -2.305 174.457 176.870 -0.179 0.000 1.051 245 L CA -1.114 53.641 54.840 -0.140 0.000 0.957 245 L CB 1.366 43.342 42.059 -0.138 0.000 1.538 245 L HN 0.577 nan 8.230 nan 0.000 0.393 246 D N 1.299 121.664 120.400 -0.059 0.000 2.502 246 D HA 0.478 5.089 4.640 -0.047 0.000 0.249 246 D C -0.827 175.498 176.300 0.041 0.000 1.092 246 D CA -0.265 53.768 54.000 0.055 0.000 0.839 246 D CB 3.233 44.124 40.800 0.152 0.000 1.264 246 D HN 0.364 nan 8.370 nan 0.000 0.511 247 V N 2.090 122.019 119.914 0.025 0.000 2.368 247 V HA 0.473 4.564 4.120 -0.047 0.000 0.266 247 V C 1.016 177.164 176.094 0.090 0.000 1.045 247 V CA -0.316 61.978 62.300 -0.009 0.000 0.899 247 V CB 1.028 32.829 31.823 -0.036 0.000 1.006 247 V HN 0.603 nan 8.190 nan 0.000 0.470 248 G N 3.215 112.072 108.800 0.096 0.000 2.521 248 G HA2 0.708 4.639 3.960 -0.047 0.000 0.323 248 G HA3 0.708 4.639 3.960 -0.047 0.000 0.323 248 G C -1.508 173.480 174.900 0.146 0.000 1.211 248 G CA -0.461 44.751 45.100 0.188 0.000 0.979 248 G HN 0.499 nan 8.290 nan 0.000 0.490 249 F N -0.086 119.843 119.950 -0.035 0.000 2.605 249 F HA 0.479 4.978 4.527 -0.048 0.000 0.320 249 F C -1.520 174.227 175.800 -0.088 0.000 1.159 249 F CA -0.893 57.041 58.000 -0.110 0.000 0.999 249 F CB 2.481 41.406 39.000 -0.126 0.000 1.258 249 F HN 0.527 nan 8.300 nan 0.000 0.464 250 D N 3.704 123.685 120.400 -0.698 0.000 2.619 250 D HA 0.321 4.933 4.640 -0.047 0.000 0.241 250 D C 0.160 176.095 176.300 -0.608 0.000 1.087 250 D CA -0.540 53.211 54.000 -0.415 0.000 0.851 250 D CB 2.490 43.183 40.800 -0.178 0.000 1.474 250 D HN 0.365 nan 8.370 nan 0.000 0.478 251 V N 4.118 123.871 119.914 -0.268 0.000 2.594 251 V HA -0.115 3.977 4.120 -0.047 0.000 0.253 251 V C 2.046 178.097 176.094 -0.072 0.000 1.069 251 V CA 2.104 64.306 62.300 -0.163 0.000 1.082 251 V CB -0.393 31.387 31.823 -0.072 0.000 0.680 251 V HN 0.611 nan 8.190 nan 0.000 0.469 252 R N -0.439 120.085 120.500 0.040 0.000 2.057 252 R HA -0.033 4.279 4.340 -0.047 0.000 0.224 252 R C 2.168 178.448 176.300 -0.033 0.000 1.136 252 R CA 1.690 57.822 56.100 0.053 0.000 0.968 252 R CB -0.138 30.190 30.300 0.047 0.000 0.863 252 R HN 0.585 nan 8.270 nan 0.000 0.433 253 E N -0.751 119.393 120.200 -0.093 0.000 2.276 253 E HA 0.171 4.492 4.350 -0.047 0.000 0.193 253 E C 0.690 177.118 176.600 -0.286 0.000 0.983 253 E CA 0.335 56.673 56.400 -0.104 0.000 0.861 253 E CB 0.725 30.404 29.700 -0.035 0.000 0.817 253 E HN 0.542 nan 8.360 nan 0.000 0.485 254 G N 0.887 109.292 108.800 -0.658 0.000 2.503 254 G HA2 -0.285 3.646 3.960 -0.047 0.000 0.235 254 G HA3 -0.285 3.646 3.960 -0.047 0.000 0.235 254 G C -0.154 174.198 174.900 -0.914 0.000 1.179 254 G CA -0.362 44.019 45.100 -1.198 0.000 0.944 254 G HN 0.092 nan 8.290 nan 0.000 0.580 255 V N 0.804 120.403 119.914 -0.524 0.000 2.585 255 V HA 0.433 4.525 4.120 -0.047 0.000 0.296 255 V C 0.819 176.833 176.094 -0.134 0.000 1.035 255 V CA 0.195 62.437 62.300 -0.097 0.000 1.084 255 V CB 0.901 32.831 31.823 0.178 0.000 0.953 255 V HN 0.892 nan 8.190 nan 0.000 0.483 256 V N 6.467 126.233 119.914 -0.245 0.000 2.735 256 V HA 0.547 4.639 4.120 -0.047 0.000 0.310 256 V C -0.316 175.434 176.094 -0.573 0.000 1.061 256 V CA -0.672 61.377 62.300 -0.417 0.000 0.913 256 V CB 2.068 33.678 31.823 -0.355 0.000 1.005 256 V HN 0.631 nan 8.190 nan 0.000 0.428 257 L N 4.321 125.079 121.223 -0.775 0.000 2.346 257 L HA 0.688 5.000 4.340 -0.047 0.000 0.276 257 L C -0.677 175.771 176.870 -0.703 0.000 1.006 257 L CA -0.643 53.794 54.840 -0.671 0.000 0.817 257 L CB 1.738 43.369 42.059 -0.713 0.000 1.272 257 L HN 0.630 nan 8.230 nan 0.000 0.421 258 H N 2.776 121.689 119.070 -0.262 0.000 2.679 258 H HA 0.317 4.845 4.556 -0.047 0.000 0.367 258 H C -0.373 174.755 175.328 -0.332 0.000 1.162 258 H CA -0.834 55.029 56.048 -0.307 0.000 1.181 258 H CB 1.888 31.400 29.762 -0.416 0.000 1.693 258 H HN 0.580 nan 8.280 nan 0.000 0.538 259 N N 1.051 119.626 118.700 -0.209 0.000 2.705 259 N HA -0.198 4.514 4.740 -0.047 0.000 0.255 259 N C -0.361 175.098 175.510 -0.086 0.000 1.008 259 N CA 0.483 53.422 53.050 -0.184 0.000 0.742 259 N CB -1.367 36.961 38.487 -0.265 0.000 0.906 259 N HN 0.529 nan 8.380 nan 0.000 0.541 260 I N 0.541 121.065 120.570 -0.077 0.000 2.505 260 I HA 0.236 4.378 4.170 -0.047 0.000 0.287 260 I C 1.002 177.194 176.117 0.125 0.000 1.104 260 I CA 0.221 61.538 61.300 0.028 0.000 1.387 260 I CB 0.487 38.471 38.000 -0.026 0.000 1.404 260 I HN 0.355 nan 8.210 nan 0.000 0.528 261 A N 6.868 129.833 122.820 0.242 0.000 2.515 261 A HA 0.778 5.069 4.320 -0.047 0.000 0.296 261 A C -1.532 176.242 177.584 0.318 0.000 1.094 261 A CA -0.444 51.729 52.037 0.227 0.000 0.718 261 A CB 1.434 20.508 19.000 0.124 0.000 1.307 261 A HN 0.509 nan 8.150 nan 0.000 0.408 262 F N 0.608 120.605 119.950 0.078 0.000 2.477 262 F HA 0.558 5.056 4.527 -0.048 0.000 0.335 262 F C 0.532 176.370 175.800 0.064 0.000 1.130 262 F CA -0.389 57.598 58.000 -0.022 0.000 0.948 262 F CB 1.738 40.672 39.000 -0.109 0.000 1.154 262 F HN 0.619 nan 8.300 nan 0.000 0.439 263 R N 3.850 124.276 120.500 -0.123 0.000 2.441 263 R HA 0.065 4.377 4.340 -0.047 0.000 0.300 263 R C -0.817 175.559 176.300 0.126 0.000 1.284 263 R CA -0.113 55.984 56.100 -0.004 0.000 1.069 263 R CB -0.282 29.964 30.300 -0.090 0.000 1.087 263 R HN 0.494 nan 8.270 nan 0.000 0.519 264 D N 3.706 124.268 120.400 0.272 0.000 2.483 264 D HA 0.175 4.786 4.640 -0.047 0.000 0.220 264 D C 1.045 177.432 176.300 0.145 0.000 1.173 264 D CA 1.013 55.202 54.000 0.315 0.000 0.964 264 D CB 0.460 41.434 40.800 0.289 0.000 1.046 264 D HN 0.734 nan 8.370 nan 0.000 0.517 265 G N 4.848 113.711 108.800 0.105 0.000 2.889 265 G HA2 -0.402 3.530 3.960 -0.047 0.000 0.308 265 G HA3 -0.402 3.530 3.960 -0.047 0.000 0.308 265 G C 0.922 175.842 174.900 0.034 0.000 1.248 265 G CA 0.643 45.775 45.100 0.054 0.000 0.982 265 G HN 0.552 nan 8.290 nan 0.000 0.571 266 D N 1.218 121.635 120.400 0.029 0.000 2.201 266 D HA 0.036 4.648 4.640 -0.047 0.000 0.209 266 D C 1.543 177.856 176.300 0.021 0.000 0.961 266 D CA 0.721 54.732 54.000 0.019 0.000 0.861 266 D CB -0.083 40.724 40.800 0.012 0.000 0.997 266 D HN 0.626 nan 8.370 nan 0.000 0.486 267 R N 0.579 121.093 120.500 0.024 0.000 2.267 267 R HA 0.250 4.561 4.340 -0.047 0.000 0.319 267 R C -0.724 175.603 176.300 0.045 0.000 1.067 267 R CA -0.647 55.466 56.100 0.021 0.000 0.936 267 R CB 0.422 30.722 30.300 -0.000 0.000 1.006 267 R HN 0.039 nan 8.270 nan 0.000 0.452 268 L N 5.943 127.190 121.223 0.041 0.000 2.283 268 L HA 0.273 4.584 4.340 -0.047 0.000 0.287 268 L C -0.543 176.367 176.870 0.066 0.000 1.073 268 L CA 0.175 55.052 54.840 0.061 0.000 0.822 268 L CB 0.587 42.676 42.059 0.050 0.000 1.186 268 L HN 0.569 nan 8.230 nan 0.000 0.436 269 R N 7.274 127.847 120.500 0.122 0.000 2.229 269 R HA 0.435 4.747 4.340 -0.047 0.000 0.332 269 R C -2.342 174.063 176.300 0.174 0.000 0.989 269 R CA -1.764 54.418 56.100 0.137 0.000 0.842 269 R CB 0.688 31.079 30.300 0.152 0.000 1.119 269 R HN 0.506 nan 8.270 nan 0.000 0.456 270 P HA 0.091 nan 4.420 nan 0.000 0.275 270 P C -0.153 177.144 177.300 -0.005 0.000 1.228 270 P CA 0.032 63.128 63.100 -0.007 0.000 0.786 270 P CB 1.311 32.925 31.700 -0.144 0.000 0.927 271 I N 1.017 121.528 120.570 -0.098 0.000 3.669 271 I HA 0.238 4.379 4.170 -0.047 0.000 0.255 271 I C 0.743 176.716 176.117 -0.240 0.000 1.144 271 I CA 0.132 61.270 61.300 -0.271 0.000 1.447 271 I CB 0.282 38.011 38.000 -0.452 0.000 1.622 271 I HN 0.125 nan 8.210 nan 0.000 0.435 272 I N 1.592 122.058 120.570 -0.174 0.000 2.418 272 I HA 0.175 4.317 4.170 -0.047 0.000 0.287 272 I C 0.618 176.659 176.117 -0.126 0.000 1.008 272 I CA -0.134 61.080 61.300 -0.143 0.000 1.104 272 I CB 1.869 39.790 38.000 -0.132 0.000 1.264 272 I HN 0.189 nan 8.210 nan 0.000 0.438 273 N N 5.173 123.822 118.700 -0.086 0.000 2.216 273 N HA 0.018 4.729 4.740 -0.047 0.000 0.183 273 N C 0.593 176.071 175.510 -0.054 0.000 1.017 273 N CA 0.737 53.768 53.050 -0.032 0.000 0.861 273 N CB 0.529 39.112 38.487 0.160 0.000 0.986 273 N HN 0.520 nan 8.380 nan 0.000 0.428 274 R N -0.156 120.284 120.500 -0.100 0.000 2.536 274 R HA 0.465 4.776 4.340 -0.047 0.000 0.269 274 R C -2.158 173.984 176.300 -0.263 0.000 1.113 274 R CA -0.506 55.483 56.100 -0.185 0.000 0.948 274 R CB 1.826 32.082 30.300 -0.074 0.000 1.237 274 R HN 0.038 nan 8.270 nan 0.000 0.441 275 A N 2.212 124.781 122.820 -0.419 0.000 2.356 275 A HA 0.748 5.040 4.320 -0.047 0.000 0.310 275 A C -1.041 176.242 177.584 -0.503 0.000 1.075 275 A CA -0.409 51.359 52.037 -0.448 0.000 0.746 275 A CB 1.583 20.189 19.000 -0.658 0.000 1.221 275 A HN 0.823 nan 8.150 nan 0.000 0.443 276 S N 1.236 116.837 115.700 -0.165 0.000 2.611 276 S HA 0.649 5.091 4.470 -0.047 0.000 0.268 276 S C -1.149 173.565 174.600 0.190 0.000 1.156 276 S CA -0.720 57.483 58.200 0.005 0.000 0.817 276 S CB 0.842 63.986 63.200 -0.094 0.000 1.122 276 S HN 0.575 nan 8.310 nan 0.000 0.466 277 I N 2.210 122.923 120.570 0.238 0.000 2.282 277 I HA 0.373 4.514 4.170 -0.047 0.000 0.290 277 I C 1.353 177.576 176.117 0.176 0.000 1.090 277 I CA -0.462 60.971 61.300 0.223 0.000 1.231 277 I CB 0.139 38.369 38.000 0.382 0.000 1.434 277 I HN 0.978 nan 8.210 nan 0.000 0.487 278 A N 5.016 127.916 122.820 0.133 0.000 2.235 278 A HA 0.098 4.390 4.320 -0.047 0.000 0.208 278 A C 0.718 178.377 177.584 0.124 0.000 1.172 278 A CA 0.879 53.020 52.037 0.173 0.000 0.786 278 A CB -0.055 19.072 19.000 0.212 0.000 0.804 278 A HN 0.696 nan 8.150 nan 0.000 0.479 279 E N -2.221 117.992 120.200 0.022 0.000 2.398 279 E HA 0.500 4.822 4.350 -0.047 0.000 0.280 279 E C -1.256 175.297 176.600 -0.078 0.000 1.122 279 E CA -0.350 55.997 56.400 -0.087 0.000 0.873 279 E CB 0.584 30.045 29.700 -0.398 0.000 1.294 279 E HN 0.268 nan 8.360 nan 0.000 0.435 280 M N 3.681 123.223 119.600 -0.096 0.000 2.310 280 M HA 0.428 4.879 4.480 -0.047 0.000 0.242 280 M C -2.042 174.080 176.300 -0.295 0.000 1.000 280 M CA -0.692 54.418 55.300 -0.316 0.000 0.970 280 M CB 1.278 33.599 32.600 -0.465 0.000 2.191 280 M HN 0.416 nan 8.290 nan 0.000 0.470 281 V N 5.612 125.337 119.914 -0.316 0.000 2.547 281 V HA 0.739 4.831 4.120 -0.047 0.000 0.299 281 V C -1.243 174.613 176.094 -0.397 0.000 1.040 281 V CA -0.239 61.775 62.300 -0.477 0.000 0.913 281 V CB 2.089 33.566 31.823 -0.576 0.000 0.992 281 V HN 0.681 nan 8.190 nan 0.000 0.449 282 V N 8.989 128.741 119.914 -0.270 0.000 2.266 282 V HA 0.393 4.485 4.120 -0.047 0.000 0.266 282 V C -2.348 173.734 176.094 -0.020 0.000 1.036 282 V CA -1.343 60.865 62.300 -0.153 0.000 0.828 282 V CB 1.269 33.025 31.823 -0.112 0.000 1.081 282 V HN 0.830 nan 8.190 nan 0.000 0.449 283 P HA 0.309 nan 4.420 nan 0.000 0.280 283 P C -1.252 176.008 177.300 -0.067 0.000 1.244 283 P CA -0.238 62.857 63.100 -0.009 0.000 0.784 283 P CB 1.046 32.714 31.700 -0.054 0.000 0.913 284 Y N 0.416 120.749 120.300 0.056 0.000 2.387 284 Y HA 0.495 5.017 4.550 -0.046 0.000 0.330 284 Y C 1.689 177.626 175.900 0.062 0.000 1.133 284 Y CA 0.164 58.315 58.100 0.084 0.000 1.152 284 Y CB 1.506 39.967 38.460 0.002 0.000 1.215 284 Y HN 0.475 nan 8.280 nan 0.000 0.466 285 G N 1.029 109.940 108.800 0.184 0.000 3.805 285 G HA2 0.013 3.945 3.960 -0.047 0.000 0.290 285 G HA3 0.013 3.945 3.960 -0.047 0.000 0.290 285 G C -0.716 174.253 174.900 0.114 0.000 1.077 285 G CA -0.185 45.004 45.100 0.148 0.000 0.852 285 G HN 0.491 nan 8.290 nan 0.000 0.531 286 D N 1.372 121.832 120.400 0.099 0.000 2.280 286 D HA 0.240 4.851 4.640 -0.047 0.000 0.243 286 D C -1.180 175.119 176.300 -0.001 0.000 1.129 286 D CA -2.210 51.800 54.000 0.017 0.000 0.848 286 D CB 2.432 43.244 40.800 0.020 0.000 1.107 286 D HN 0.057 nan 8.370 nan 0.000 0.471 287 P HA -0.020 nan 4.420 nan 0.000 0.245 287 P C 0.365 177.667 177.300 0.003 0.000 1.212 287 P CA -0.056 63.047 63.100 0.006 0.000 0.774 287 P CB 0.279 31.989 31.700 0.016 0.000 0.999 288 S N 2.440 118.133 115.700 -0.012 0.000 2.533 288 S HA 0.134 4.576 4.470 -0.047 0.000 0.282 288 S C -0.931 173.686 174.600 0.028 0.000 1.304 288 S CA -1.278 56.927 58.200 0.008 0.000 1.063 288 S CB 0.280 63.468 63.200 -0.019 0.000 0.881 288 S HN -0.000 nan 8.310 nan 0.000 0.493 289 P HA -0.153 nan 4.420 nan 0.000 0.218 289 P C 1.440 178.896 177.300 0.259 0.000 1.146 289 P CA 0.920 64.112 63.100 0.154 0.000 0.813 289 P CB -0.079 31.716 31.700 0.157 0.000 0.778 290 I N -0.431 120.256 120.570 0.195 0.000 2.454 290 I HA -0.130 4.011 4.170 -0.047 0.000 0.254 290 I C 2.213 178.481 176.117 0.251 0.000 1.156 290 I CA 1.454 62.914 61.300 0.266 0.000 1.433 290 I CB -0.985 37.088 38.000 0.122 0.000 1.082 290 I HN 0.054 nan 8.210 nan 0.000 0.432 291 R N -0.770 119.675 120.500 -0.092 0.000 2.544 291 R HA 0.092 4.404 4.340 -0.047 0.000 0.303 291 R C 1.935 177.803 176.300 -0.720 0.000 0.939 291 R CA 0.501 56.275 56.100 -0.543 0.000 1.102 291 R CB 0.290 30.430 30.300 -0.267 0.000 1.440 291 R HN 0.263 nan 8.270 nan 0.000 0.532 292 S N 0.838 116.312 115.700 -0.376 0.000 2.528 292 S HA -0.122 4.319 4.470 -0.047 0.000 0.244 292 S C 1.370 175.778 174.600 -0.321 0.000 0.982 292 S CA 0.564 58.621 58.200 -0.238 0.000 0.953 292 S CB -0.405 62.745 63.200 -0.082 0.000 0.754 292 S HN 0.587 nan 8.310 nan 0.000 0.529 293 W N 0.525 121.649 121.300 -0.294 0.000 3.114 293 W HA 0.375 5.004 4.660 -0.052 0.000 0.279 293 W C 0.534 177.055 176.519 0.004 0.000 1.277 293 W CA -0.636 56.351 57.345 -0.596 0.000 1.630 293 W CB -0.645 28.367 29.460 -0.745 0.000 1.087 293 W HN 0.257 nan 8.180 nan 0.000 0.637 294 Q N 2.946 122.248 119.800 -0.830 0.000 2.244 294 Q HA 0.056 4.368 4.340 -0.047 0.000 0.278 294 Q C -0.770 175.222 176.000 -0.012 0.000 1.093 294 Q CA 0.891 56.291 55.803 -0.671 0.000 0.916 294 Q CB 0.122 28.184 28.738 -1.127 0.000 1.159 294 Q HN 0.036 nan 8.270 nan 0.000 0.384 295 N N 4.492 123.273 118.700 0.135 0.000 2.697 295 N HA 0.113 4.824 4.740 -0.047 0.000 0.271 295 N C -1.839 173.823 175.510 0.254 0.000 1.149 295 N CA -0.422 52.776 53.050 0.247 0.000 0.939 295 N CB 0.813 39.479 38.487 0.300 0.000 1.534 295 N HN 0.391 nan 8.380 nan 0.000 0.556 296 Y N 0.514 120.877 120.300 0.106 0.000 2.301 296 Y HA 0.429 4.950 4.550 -0.049 0.000 0.325 296 Y C 0.379 176.281 175.900 0.003 0.000 1.203 296 Y CA -0.323 57.876 58.100 0.165 0.000 1.255 296 Y CB 0.810 39.256 38.460 -0.024 0.000 1.232 296 Y HN 0.399 nan 8.280 nan 0.000 0.501 297 F N 1.472 121.666 119.950 0.406 0.000 2.584 297 F HA 0.237 4.735 4.527 -0.048 0.000 0.328 297 F C 0.574 176.556 175.800 0.304 0.000 1.407 297 F CA -0.954 57.200 58.000 0.257 0.000 1.145 297 F CB 0.302 39.420 39.000 0.198 0.000 1.440 297 F HN 0.510 nan 8.300 nan 0.000 0.580 298 D N -0.262 120.303 120.400 0.276 0.000 2.200 298 D HA -0.232 4.380 4.640 -0.047 0.000 0.192 298 D C 2.025 178.499 176.300 0.290 0.000 1.008 298 D CA 2.325 56.452 54.000 0.212 0.000 0.872 298 D CB 0.067 40.874 40.800 0.011 0.000 0.923 298 D HN 0.324 nan 8.370 nan 0.000 0.447 299 T N -1.201 113.477 114.554 0.207 0.000 2.852 299 T HA 0.045 4.366 4.350 -0.047 0.000 0.256 299 T C 2.007 176.775 174.700 0.114 0.000 1.038 299 T CA 1.129 63.320 62.100 0.152 0.000 1.141 299 T CB -0.479 68.447 68.868 0.098 0.000 0.869 299 T HN 0.293 nan 8.240 nan 0.000 0.439 300 G N 0.953 109.831 108.800 0.132 0.000 2.396 300 G HA2 -0.067 3.865 3.960 -0.047 0.000 0.214 300 G HA3 -0.067 3.865 3.960 -0.047 0.000 0.214 300 G C 1.437 176.368 174.900 0.052 0.000 1.166 300 G CA 0.377 45.477 45.100 0.001 0.000 0.793 300 G HN 0.467 nan 8.290 nan 0.000 0.533 301 E N -1.072 119.263 120.200 0.224 0.000 2.201 301 E HA 0.094 4.416 4.350 -0.047 0.000 0.193 301 E C 1.666 178.364 176.600 0.163 0.000 0.957 301 E CA 0.361 56.848 56.400 0.144 0.000 0.858 301 E CB 0.142 29.931 29.700 0.148 0.000 0.816 301 E HN 0.548 nan 8.360 nan 0.000 0.475 302 Y N -0.106 120.375 120.300 0.301 0.000 2.481 302 Y HA 0.316 4.837 4.550 -0.048 0.000 0.258 302 Y C -0.013 176.131 175.900 0.408 0.000 1.103 302 Y CA -0.214 58.141 58.100 0.425 0.000 1.287 302 Y CB 0.396 39.127 38.460 0.452 0.000 1.108 302 Y HN -0.161 nan 8.280 nan 0.000 0.529 303 L N 0.703 122.179 121.223 0.421 0.000 3.000 303 L HA -0.210 4.102 4.340 -0.047 0.000 0.682 303 L C 1.162 178.213 176.870 0.300 0.000 1.047 303 L CA 0.074 55.076 54.840 0.270 0.000 1.334 303 L CB -1.506 40.675 42.059 0.204 0.000 1.859 303 L HN 0.171 nan 8.230 nan 0.000 0.890 304 V N -0.038 120.033 119.914 0.263 0.000 2.453 304 V HA -0.163 3.929 4.120 -0.047 0.000 0.252 304 V C 2.188 178.439 176.094 0.262 0.000 1.068 304 V CA 2.313 64.793 62.300 0.300 0.000 1.070 304 V CB -0.614 31.329 31.823 0.201 0.000 0.664 304 V HN 0.866 nan 8.190 nan 0.000 0.461 305 G N -0.890 107.932 108.800 0.037 0.000 2.422 305 G HA2 -0.300 3.632 3.960 -0.047 0.000 0.218 305 G HA3 -0.300 3.632 3.960 -0.047 0.000 0.218 305 G C 1.561 176.552 174.900 0.151 0.000 1.146 305 G CA 0.897 45.960 45.100 -0.061 0.000 0.769 305 G HN 0.631 nan 8.290 nan 0.000 0.547 306 Q N -0.689 119.126 119.800 0.026 0.000 2.096 306 Q HA -0.154 4.158 4.340 -0.047 0.000 0.204 306 Q C 1.423 177.299 176.000 -0.207 0.000 0.982 306 Q CA 1.239 56.949 55.803 -0.156 0.000 0.850 306 Q CB -0.166 28.339 28.738 -0.388 0.000 0.901 306 Q HN 0.637 nan 8.270 nan 0.000 0.422 307 Y N -0.279 120.167 120.300 0.243 0.000 2.470 307 Y HA 0.378 4.900 4.550 -0.046 0.000 0.284 307 Y C 0.474 176.540 175.900 0.276 0.000 1.188 307 Y CA -0.166 58.079 58.100 0.242 0.000 1.269 307 Y CB -0.166 38.436 38.460 0.237 0.000 1.094 307 Y HN 0.069 nan 8.280 nan 0.000 0.518 308 A N 1.065 124.129 122.820 0.407 0.000 2.540 308 A HA 0.062 4.354 4.320 -0.047 0.000 0.239 308 A C 0.344 178.122 177.584 0.324 0.000 1.061 308 A CA -0.306 52.006 52.037 0.459 0.000 0.758 308 A CB -0.065 19.208 19.000 0.455 0.000 0.991 308 A HN 0.332 nan 8.150 nan 0.000 0.502 309 N N 0.798 119.698 118.700 0.334 0.000 2.424 309 N HA 0.250 4.962 4.740 -0.047 0.000 0.257 309 N C -0.330 175.271 175.510 0.152 0.000 1.250 309 N CA -0.031 53.154 53.050 0.224 0.000 0.946 309 N CB 0.783 39.398 38.487 0.213 0.000 1.175 309 N HN 0.509 nan 8.380 nan 0.000 0.477 310 S N 0.858 116.606 115.700 0.080 0.000 2.410 310 S HA 0.344 4.785 4.470 -0.047 0.000 0.304 310 S C 0.174 174.775 174.600 0.000 0.000 1.095 310 S CA -0.633 57.572 58.200 0.008 0.000 1.089 310 S CB -0.082 63.105 63.200 -0.021 0.000 0.968 310 S HN 0.231 nan 8.310 nan 0.000 0.480 311 L N 3.788 125.017 121.223 0.010 0.000 2.361 311 L HA 0.298 4.610 4.340 -0.047 0.000 0.278 311 L C 0.587 177.452 176.870 -0.008 0.000 1.113 311 L CA -0.465 54.415 54.840 0.066 0.000 0.849 311 L CB 0.298 42.504 42.059 0.244 0.000 1.155 311 L HN 0.406 nan 8.230 nan 0.000 0.452 312 E N 2.875 123.087 120.200 0.021 0.000 2.301 312 E HA 0.232 4.553 4.350 -0.047 0.000 0.275 312 E C -0.482 176.186 176.600 0.114 0.000 1.030 312 E CA -0.845 55.567 56.400 0.019 0.000 0.852 312 E CB 1.917 31.620 29.700 0.004 0.000 1.060 312 E HN 0.272 nan 8.360 nan 0.000 0.401 313 L N 1.613 122.923 121.223 0.144 0.000 2.410 313 L HA 0.271 4.582 4.340 -0.047 0.000 0.273 313 L C 1.234 178.153 176.870 0.080 0.000 1.144 313 L CA 1.423 56.370 54.840 0.177 0.000 0.863 313 L CB 0.348 42.523 42.059 0.192 0.000 1.140 313 L HN 0.779 nan 8.230 nan 0.000 0.463 314 G N 2.268 111.099 108.800 0.053 0.000 2.157 314 G HA2 -0.279 3.653 3.960 -0.047 0.000 0.248 314 G HA3 -0.279 3.653 3.960 -0.047 0.000 0.248 314 G C 0.600 175.512 174.900 0.019 0.000 0.979 314 G CA 0.204 45.321 45.100 0.028 0.000 0.650 314 G HN 0.773 nan 8.290 nan 0.000 0.529 315 C N -1.501 117.811 119.300 0.021 0.000 2.904 315 C HA 0.324 4.756 4.460 -0.047 0.000 0.524 315 C C 1.833 176.818 174.990 -0.009 0.000 1.313 315 C CA 0.927 59.946 59.018 0.001 0.000 2.614 315 C CB 0.032 27.769 27.740 -0.005 0.000 3.335 315 C HN 0.417 nan 8.230 nan 0.000 0.519 316 D N -0.053 120.354 120.400 0.010 0.000 2.394 316 D HA 0.136 4.747 4.640 -0.047 0.000 0.226 316 D C 0.089 176.426 176.300 0.062 0.000 0.990 316 D CA 0.969 54.976 54.000 0.011 0.000 0.902 316 D CB 0.419 41.227 40.800 0.014 0.000 1.038 316 D HN 0.371 nan 8.370 nan 0.000 0.499 317 c N 1.928 120.558 118.600 0.050 0.000 2.381 317 c HA 0.502 5.044 4.570 -0.047 0.000 0.328 317 c C -0.512 173.525 174.090 -0.088 0.000 1.190 317 c CA -0.988 55.313 56.329 -0.046 0.000 1.369 317 c CB 0.967 43.420 42.510 -0.095 0.000 2.029 317 c HN 0.146 nan 8.230 nan 0.000 0.448 318 L N 3.891 125.048 121.223 -0.109 0.000 2.322 318 L HA 0.957 5.268 4.340 -0.047 0.000 0.279 318 L C 0.573 177.386 176.870 -0.094 0.000 1.036 318 L CA 1.737 56.540 54.840 -0.063 0.000 0.807 318 L CB 1.032 43.089 42.059 -0.003 0.000 1.226 318 L HN 1.100 nan 8.230 nan 0.000 0.433 319 G N 3.424 112.199 108.800 -0.041 0.000 2.416 319 G HA2 -0.163 3.769 3.960 -0.047 0.000 0.203 319 G HA3 -0.163 3.769 3.960 -0.047 0.000 0.203 319 G C -0.853 174.038 174.900 -0.016 0.000 1.227 319 G CA -0.151 44.946 45.100 -0.005 0.000 1.041 319 G HN 0.729 nan 8.290 nan 0.000 0.546 320 D N 1.590 122.009 120.400 0.032 0.000 2.494 320 D HA 0.371 4.982 4.640 -0.047 0.000 0.217 320 D C 0.569 176.898 176.300 0.050 0.000 1.153 320 D CA -0.263 53.762 54.000 0.042 0.000 0.954 320 D CB -0.240 40.601 40.800 0.069 0.000 1.034 320 D HN 0.377 nan 8.370 nan 0.000 0.518 321 I N 2.022 122.549 120.570 -0.071 0.000 2.472 321 I HA 0.185 4.326 4.170 -0.047 0.000 0.290 321 I C 0.728 176.764 176.117 -0.135 0.000 1.016 321 I CA -0.304 60.874 61.300 -0.203 0.000 1.348 321 I CB 1.378 39.046 38.000 -0.553 0.000 1.417 321 I HN 0.086 nan 8.210 nan 0.000 0.521 322 T N 6.191 120.708 114.554 -0.063 0.000 2.833 322 T HA 0.450 4.772 4.350 -0.047 0.000 0.297 322 T C -0.504 174.177 174.700 -0.032 0.000 1.015 322 T CA -0.325 61.812 62.100 0.062 0.000 0.963 322 T CB 0.279 69.346 68.868 0.332 0.000 0.955 322 T HN 0.157 nan 8.240 nan 0.000 0.449 323 Y N 2.122 122.467 120.300 0.075 0.000 2.335 323 Y HA 0.572 5.094 4.550 -0.047 0.000 0.323 323 Y C 0.400 176.313 175.900 0.022 0.000 1.224 323 Y CA -1.172 56.951 58.100 0.038 0.000 1.241 323 Y CB 0.840 39.313 38.460 0.021 0.000 1.235 323 Y HN 0.346 nan 8.280 nan 0.000 0.492 324 L N 1.705 123.033 121.223 0.175 0.000 2.341 324 L HA 0.422 4.733 4.340 -0.047 0.000 0.278 324 L C -0.607 176.259 176.870 -0.007 0.000 1.005 324 L CA -0.562 54.315 54.840 0.061 0.000 0.818 324 L CB 1.851 43.920 42.059 0.017 0.000 1.259 324 L HN 0.576 nan 8.230 nan 0.000 0.418 325 S N 4.466 120.140 115.700 -0.044 0.000 2.505 325 S HA 0.330 4.772 4.470 -0.047 0.000 0.280 325 S C -2.233 172.271 174.600 -0.160 0.000 1.197 325 S CA -1.056 57.081 58.200 -0.105 0.000 1.138 325 S CB 0.719 63.880 63.200 -0.065 0.000 1.010 325 S HN 0.400 nan 8.310 nan 0.000 0.480 326 P HA 0.258 nan 4.420 nan 0.000 0.272 326 P C -0.769 176.409 177.300 -0.203 0.000 1.223 326 P CA -0.330 62.559 63.100 -0.353 0.000 0.784 326 P CB 0.825 31.929 31.700 -0.992 0.000 0.923 327 V N 3.612 123.487 119.914 -0.064 0.000 2.555 327 V HA 0.457 4.549 4.120 -0.047 0.000 0.302 327 V C 0.708 176.832 176.094 0.050 0.000 1.038 327 V CA -0.567 61.728 62.300 -0.009 0.000 0.887 327 V CB 1.346 33.176 31.823 0.010 0.000 0.991 327 V HN 0.503 nan 8.190 nan 0.000 0.434 328 I N 0.871 121.464 120.570 0.039 0.000 3.445 328 I HA 0.804 4.946 4.170 -0.047 0.000 0.303 328 I C -0.310 175.811 176.117 0.006 0.000 1.129 328 I CA -0.756 60.569 61.300 0.042 0.000 0.989 328 I CB 2.270 40.307 38.000 0.062 0.000 1.314 328 I HN 0.512 nan 8.210 nan 0.000 0.488 329 S N 0.749 116.435 115.700 -0.024 0.000 2.472 329 S HA 0.438 4.879 4.470 -0.047 0.000 0.303 329 S C -0.807 173.770 174.600 -0.039 0.000 1.099 329 S CA -0.617 57.566 58.200 -0.030 0.000 1.077 329 S CB 0.874 64.046 63.200 -0.047 0.000 1.031 329 S HN 0.766 nan 8.310 nan 0.000 0.487 330 D N 2.883 123.267 120.400 -0.026 0.000 2.447 330 D HA 0.410 5.021 4.640 -0.047 0.000 0.265 330 D C 1.219 177.437 176.300 -0.137 0.000 1.250 330 D CA -0.210 53.754 54.000 -0.059 0.000 1.046 330 D CB 0.070 40.862 40.800 -0.014 0.000 1.095 330 D HN 0.459 nan 8.370 nan 0.000 0.555 331 A N -1.121 121.515 122.820 -0.306 0.000 2.225 331 A HA -0.032 4.260 4.320 -0.047 0.000 0.215 331 A C 1.063 178.309 177.584 -0.562 0.000 1.164 331 A CA 0.758 52.507 52.037 -0.480 0.000 0.710 331 A CB -0.911 17.684 19.000 -0.674 0.000 0.780 331 A HN 0.460 nan 8.150 nan 0.000 0.473 332 F N -1.906 118.058 119.950 0.023 0.000 2.682 332 F HA 0.410 4.909 4.527 -0.048 0.000 0.308 332 F C 1.702 177.503 175.800 0.001 0.000 1.093 332 F CA -0.156 57.852 58.000 0.014 0.000 1.244 332 F CB 0.093 39.100 39.000 0.012 0.000 1.052 332 F HN 0.280 nan 8.300 nan 0.000 0.573 333 G N 0.597 109.459 108.800 0.104 0.000 2.175 333 G HA2 -0.293 3.638 3.960 -0.047 0.000 0.244 333 G HA3 -0.293 3.638 3.960 -0.047 0.000 0.244 333 G C -0.015 174.910 174.900 0.041 0.000 0.982 333 G CA -0.238 44.893 45.100 0.052 0.000 0.641 333 G HN 0.410 nan 8.290 nan 0.000 0.527 334 N N 2.458 121.202 118.700 0.073 0.000 2.529 334 N HA 0.517 5.228 4.740 -0.047 0.000 0.278 334 N C -2.221 173.303 175.510 0.024 0.000 1.146 334 N CA -1.031 52.049 53.050 0.050 0.000 0.980 334 N CB 1.503 40.038 38.487 0.079 0.000 1.124 334 N HN 0.178 nan 8.380 nan 0.000 0.458 335 P HA 0.138 nan 4.420 nan 0.000 0.279 335 P C -1.067 176.239 177.300 0.010 0.000 1.239 335 P CA -0.186 62.916 63.100 0.003 0.000 0.789 335 P CB 1.058 32.755 31.700 -0.005 0.000 0.933 336 R N 1.646 122.151 120.500 0.008 0.000 2.513 336 R HA 0.259 4.571 4.340 -0.047 0.000 0.301 336 R C -0.435 175.864 176.300 -0.003 0.000 0.968 336 R CA -0.609 55.496 56.100 0.009 0.000 0.872 336 R CB 1.413 31.720 30.300 0.013 0.000 1.177 336 R HN 0.483 nan 8.270 nan 0.000 0.444 337 E N 5.579 125.773 120.200 -0.011 0.000 2.227 337 E HA 0.163 4.485 4.350 -0.047 0.000 0.282 337 E C -0.693 175.881 176.600 -0.043 0.000 1.015 337 E CA -0.478 55.903 56.400 -0.033 0.000 0.823 337 E CB 0.927 30.610 29.700 -0.029 0.000 1.081 337 E HN 0.584 nan 8.360 nan 0.000 0.396 338 I N 5.732 126.251 120.570 -0.086 0.000 2.317 338 I HA 0.193 4.334 4.170 -0.047 0.000 0.286 338 I C 0.660 176.710 176.117 -0.113 0.000 1.119 338 I CA -0.439 60.805 61.300 -0.092 0.000 1.228 338 I CB 0.256 38.161 38.000 -0.159 0.000 1.476 338 I HN 0.359 nan 8.210 nan 0.000 0.514 339 R N 5.746 126.195 120.500 -0.084 0.000 2.502 339 R HA -0.033 4.279 4.340 -0.047 0.000 0.292 339 R C 0.132 176.337 176.300 -0.159 0.000 0.998 339 R CA 0.353 56.388 56.100 -0.108 0.000 1.056 339 R CB 0.238 30.483 30.300 -0.091 0.000 0.939 339 R HN 0.594 nan 8.270 nan 0.000 0.411 340 N N 2.312 120.889 118.700 -0.206 0.000 2.735 340 N HA -0.164 4.548 4.740 -0.047 0.000 0.248 340 N C 0.534 175.983 175.510 -0.101 0.000 1.083 340 N CA 1.190 54.027 53.050 -0.355 0.000 0.703 340 N CB -1.307 36.700 38.487 -0.799 0.000 1.005 340 N HN 0.881 nan 8.380 nan 0.000 0.550 341 G N -1.066 107.699 108.800 -0.058 0.000 2.712 341 G HA2 0.293 4.224 3.960 -0.047 0.000 0.212 341 G HA3 0.293 4.224 3.960 -0.047 0.000 0.212 341 G C 0.483 175.427 174.900 0.073 0.000 1.142 341 G CA 0.230 45.319 45.100 -0.019 0.000 0.789 341 G HN 0.433 nan 8.290 nan 0.000 0.535 342 I N 0.145 120.782 120.570 0.111 0.000 2.533 342 I HA 0.297 4.439 4.170 -0.047 0.000 0.290 342 I C -0.855 175.402 176.117 0.234 0.000 1.056 342 I CA -0.892 60.505 61.300 0.160 0.000 1.057 342 I CB 2.563 40.593 38.000 0.050 0.000 1.240 342 I HN -0.208 nan 8.210 nan 0.000 0.423 343 c N 6.688 125.389 118.600 0.169 0.000 2.341 343 c HA 0.700 5.242 4.570 -0.047 0.000 0.338 343 c C 0.020 174.114 174.090 0.006 0.000 1.257 343 c CA -0.450 55.893 56.329 0.023 0.000 1.883 343 c CB 0.730 43.265 42.510 0.041 0.000 2.334 343 c HN 0.655 nan 8.230 nan 0.000 0.524 344 M N 5.674 125.233 119.600 -0.069 0.000 2.327 344 M HA 0.528 4.979 4.480 -0.047 0.000 0.298 344 M C -0.653 175.589 176.300 -0.097 0.000 1.065 344 M CA -0.113 55.081 55.300 -0.177 0.000 0.916 344 M CB 1.857 34.268 32.600 -0.314 0.000 1.630 344 M HN 0.960 nan 8.290 nan 0.000 0.442 345 H N 0.818 119.627 119.070 -0.435 0.000 2.969 345 H HA 0.382 4.910 4.556 -0.047 0.000 0.304 345 H C -2.168 173.014 175.328 -0.243 0.000 1.400 345 H CA -1.136 54.802 56.048 -0.183 0.000 1.182 345 H CB 0.821 30.568 29.762 -0.024 0.000 1.865 345 H HN 0.733 nan 8.280 nan 0.000 0.512 346 E N 1.197 121.376 120.200 -0.035 0.000 2.183 346 E HA 0.501 4.823 4.350 -0.047 0.000 0.271 346 E C -0.879 175.716 176.600 -0.007 0.000 0.919 346 E CA -0.919 55.385 56.400 -0.159 0.000 0.781 346 E CB 2.633 32.428 29.700 0.158 0.000 1.140 346 E HN 0.685 nan 8.360 nan 0.000 0.402 347 E N 2.375 122.533 120.200 -0.069 0.000 2.317 347 E HA 0.249 4.570 4.350 -0.047 0.000 0.270 347 E C -1.286 175.420 176.600 0.176 0.000 0.885 347 E CA -1.029 55.419 56.400 0.081 0.000 0.760 347 E CB 1.589 31.331 29.700 0.071 0.000 1.227 347 E HN 0.542 nan 8.360 nan 0.000 0.434 348 D N 1.985 122.513 120.400 0.214 0.000 2.488 348 D HA -0.105 4.507 4.640 -0.047 0.000 0.238 348 D C -0.880 175.648 176.300 0.379 0.000 1.138 348 D CA 0.276 54.419 54.000 0.239 0.000 0.873 348 D CB 0.485 41.375 40.800 0.150 0.000 1.183 348 D HN 0.520 nan 8.370 nan 0.000 0.458 349 W N 5.958 127.298 121.300 0.065 0.000 1.903 349 W HA 0.352 4.983 4.660 -0.048 0.000 0.349 349 W C 0.512 177.059 176.519 0.047 0.000 0.814 349 W CA -0.017 57.365 57.345 0.061 0.000 2.728 349 W CB 0.060 29.606 29.460 0.143 0.000 1.621 349 W HN 0.848 nan 8.180 nan 0.000 0.644 350 G N 1.928 110.696 108.800 -0.053 0.000 2.564 350 G HA2 -0.342 3.589 3.960 -0.047 0.000 0.273 350 G HA3 -0.342 3.589 3.960 -0.047 0.000 0.273 350 G C -0.314 174.572 174.900 -0.024 0.000 1.242 350 G CA -0.045 44.989 45.100 -0.111 0.000 0.951 350 G HN 0.049 nan 8.290 nan 0.000 0.564 351 I N 1.383 121.922 120.570 -0.052 0.000 2.556 351 I HA 0.210 4.351 4.170 -0.047 0.000 0.284 351 I C 1.534 177.668 176.117 0.029 0.000 1.114 351 I CA -0.132 61.160 61.300 -0.015 0.000 1.418 351 I CB 0.682 38.663 38.000 -0.032 0.000 1.394 351 I HN 0.616 nan 8.210 nan 0.000 0.552 352 L N 6.775 128.028 121.223 0.050 0.000 2.185 352 L HA 0.484 4.795 4.340 -0.047 0.000 0.198 352 L C 0.666 177.579 176.870 0.072 0.000 1.079 352 L CA 1.066 55.955 54.840 0.082 0.000 0.780 352 L CB 0.010 42.125 42.059 0.094 0.000 0.955 352 L HN 0.678 nan 8.230 nan 0.000 0.462 353 A N -0.361 122.505 122.820 0.077 0.000 2.486 353 A HA 0.677 4.968 4.320 -0.047 0.000 0.300 353 A C -1.002 176.676 177.584 0.157 0.000 1.048 353 A CA -0.561 51.562 52.037 0.142 0.000 0.696 353 A CB 1.264 20.418 19.000 0.257 0.000 1.278 353 A HN 0.118 nan 8.150 nan 0.000 0.405 354 K N 0.817 121.327 120.400 0.185 0.000 2.542 354 K HA 0.610 4.901 4.320 -0.047 0.000 0.259 354 K C -2.161 174.592 176.600 0.256 0.000 0.932 354 K CA -0.578 55.825 56.287 0.194 0.000 0.820 354 K CB 1.842 34.390 32.500 0.081 0.000 1.345 354 K HN 1.023 nan 8.250 nan 0.000 0.432 355 H N 0.186 119.332 119.070 0.126 0.000 3.159 355 H HA 0.278 4.805 4.556 -0.047 0.000 0.313 355 H C -1.978 173.376 175.328 0.043 0.000 1.071 355 H CA -0.447 55.631 56.048 0.049 0.000 1.451 355 H CB 1.456 31.222 29.762 0.007 0.000 2.075 355 H HN 0.425 nan 8.280 nan 0.000 0.443 356 S N 4.200 119.666 115.700 -0.390 0.000 2.423 356 S HA 0.193 4.634 4.470 -0.047 0.000 0.317 356 S C -0.578 173.601 174.600 -0.702 0.000 1.065 356 S CA -0.599 57.377 58.200 -0.374 0.000 1.111 356 S CB 0.439 63.535 63.200 -0.174 0.000 0.968 356 S HN 0.612 nan 8.310 nan 0.000 0.474 357 D N 2.153 122.161 120.400 -0.653 0.000 2.232 357 D HA 0.314 4.926 4.640 -0.047 0.000 0.242 357 D C 0.884 177.045 176.300 -0.232 0.000 1.093 357 D CA -0.590 53.109 54.000 -0.501 0.000 0.845 357 D CB 0.944 41.583 40.800 -0.269 0.000 1.124 357 D HN 0.254 nan 8.370 nan 0.000 0.467 358 L N 5.190 126.266 121.223 -0.246 0.000 1.988 358 L HA -0.020 4.292 4.340 -0.047 0.000 0.207 358 L C 1.487 178.373 176.870 0.028 0.000 1.071 358 L CA 1.532 56.285 54.840 -0.143 0.000 0.744 358 L CB -0.453 41.466 42.059 -0.234 0.000 0.893 358 L HN 0.604 nan 8.230 nan 0.000 0.433 359 W N -0.133 121.163 121.300 -0.007 0.000 2.342 359 W HA -0.138 4.494 4.660 -0.047 0.000 0.297 359 W C 2.837 179.351 176.519 -0.008 0.000 1.213 359 W CA 1.483 58.827 57.345 -0.003 0.000 1.251 359 W CB -1.797 27.668 29.460 0.008 0.000 1.136 359 W HN 0.555 nan 8.180 nan 0.000 0.526 360 S N -1.618 114.201 115.700 0.197 0.000 2.503 360 S HA 0.372 4.814 4.470 -0.047 0.000 0.215 360 S C 1.775 176.408 174.600 0.055 0.000 1.003 360 S CA 0.600 58.867 58.200 0.111 0.000 0.910 360 S CB 0.134 63.388 63.200 0.091 0.000 0.790 360 S HN 0.387 nan 8.310 nan 0.000 0.514 361 G N 1.434 110.251 108.800 0.029 0.000 2.189 361 G HA2 -0.265 3.667 3.960 -0.047 0.000 0.267 361 G HA3 -0.265 3.667 3.960 -0.047 0.000 0.267 361 G C 0.040 174.932 174.900 -0.014 0.000 0.975 361 G CA 0.443 45.544 45.100 0.002 0.000 0.644 361 G HN 0.604 nan 8.290 nan 0.000 0.537 362 I N 1.434 121.994 120.570 -0.016 0.000 2.371 362 I HA 0.244 4.385 4.170 -0.047 0.000 0.290 362 I C -0.364 175.732 176.117 -0.034 0.000 1.028 362 I CA -0.666 60.630 61.300 -0.005 0.000 1.345 362 I CB 0.842 38.852 38.000 0.017 0.000 1.407 362 I HN -0.024 nan 8.210 nan 0.000 0.501 363 N N 6.629 125.328 118.700 -0.002 0.000 2.417 363 N HA 0.278 4.989 4.740 -0.047 0.000 0.274 363 N C -1.245 174.321 175.510 0.093 0.000 0.987 363 N CA -0.434 52.614 53.050 -0.004 0.000 0.912 363 N CB 1.645 40.118 38.487 -0.023 0.000 1.177 363 N HN 0.447 nan 8.380 nan 0.000 0.490 364 Y N 1.226 121.501 120.300 -0.042 0.000 2.409 364 Y HA 0.544 5.066 4.550 -0.047 0.000 0.343 364 Y C -0.854 175.048 175.900 0.003 0.000 0.973 364 Y CA -0.262 57.833 58.100 -0.007 0.000 1.064 364 Y CB 1.559 40.029 38.460 0.016 0.000 1.207 364 Y HN 0.347 nan 8.280 nan 0.000 0.452 365 T N 6.624 120.939 114.554 -0.398 0.000 3.041 365 T HA 0.557 4.878 4.350 -0.047 0.000 0.321 365 T C -1.420 173.020 174.700 -0.433 0.000 1.184 365 T CA -1.052 60.864 62.100 -0.306 0.000 1.050 365 T CB 1.288 70.078 68.868 -0.129 0.000 1.159 365 T HN 0.420 nan 8.240 nan 0.000 0.469 366 R N 1.733 122.056 120.500 -0.295 0.000 2.686 366 R HA 0.579 4.890 4.340 -0.047 0.000 0.283 366 R C -0.634 175.627 176.300 -0.065 0.000 0.978 366 R CA -1.004 54.976 56.100 -0.200 0.000 0.897 366 R CB 1.696 31.885 30.300 -0.185 0.000 1.192 366 R HN 0.449 nan 8.270 nan 0.000 0.457 367 R N 1.196 121.681 120.500 -0.025 0.000 2.500 367 R HA 0.353 4.665 4.340 -0.047 0.000 0.277 367 R C 0.198 176.554 176.300 0.094 0.000 1.026 367 R CA -0.480 55.639 56.100 0.032 0.000 1.058 367 R CB 0.990 31.313 30.300 0.039 0.000 1.078 367 R HN 0.648 nan 8.270 nan 0.000 0.509 368 N N 0.344 119.139 118.700 0.159 0.000 2.502 368 N HA 0.444 5.155 4.740 -0.047 0.000 0.280 368 N C -0.861 174.849 175.510 0.334 0.000 1.223 368 N CA -0.567 52.642 53.050 0.266 0.000 0.966 368 N CB 1.359 40.052 38.487 0.344 0.000 1.203 368 N HN 0.256 nan 8.380 nan 0.000 0.565 369 R N 0.082 120.833 120.500 0.419 0.000 2.663 369 R HA 0.335 4.647 4.340 -0.047 0.000 0.267 369 R C -1.382 175.151 176.300 0.389 0.000 1.038 369 R CA -0.823 55.533 56.100 0.427 0.000 0.886 369 R CB 2.086 32.694 30.300 0.514 0.000 1.249 369 R HN 0.631 nan 8.270 nan 0.000 0.463 370 R N 2.070 122.571 120.500 0.002 0.000 2.628 370 R HA 0.475 4.786 4.340 -0.047 0.000 0.288 370 R C -1.279 174.553 176.300 -0.780 0.000 0.980 370 R CA -0.964 54.797 56.100 -0.564 0.000 0.891 370 R CB 1.840 31.408 30.300 -1.221 0.000 1.188 370 R HN 0.454 nan 8.270 nan 0.000 0.450 371 M N 3.546 122.405 119.600 -1.234 0.000 2.144 371 M HA 0.263 4.714 4.480 -0.047 0.000 0.356 371 M C -1.517 174.306 176.300 -0.795 0.000 1.217 371 M CA -0.554 53.949 55.300 -1.328 0.000 1.087 371 M CB 1.400 32.983 32.600 -1.694 0.000 1.609 371 M HN 0.487 nan 8.290 nan 0.000 0.467 372 V N 7.271 126.768 119.914 -0.695 0.000 2.435 372 V HA 0.577 4.669 4.120 -0.047 0.000 0.290 372 V C -0.349 175.540 176.094 -0.343 0.000 1.030 372 V CA -0.566 61.476 62.300 -0.428 0.000 0.881 372 V CB 1.397 32.943 31.823 -0.462 0.000 0.983 372 V HN 0.790 nan 8.190 nan 0.000 0.445 373 I N 4.557 125.005 120.570 -0.204 0.000 2.468 373 I HA 0.633 4.775 4.170 -0.047 0.000 0.285 373 I C -0.164 175.954 176.117 0.001 0.000 1.039 373 I CA 0.053 61.292 61.300 -0.101 0.000 1.074 373 I CB 2.019 39.952 38.000 -0.113 0.000 1.228 373 I HN 0.814 nan 8.210 nan 0.000 0.436 374 S N 5.347 121.059 115.700 0.021 0.000 2.656 374 S HA 0.880 5.321 4.470 -0.047 0.000 0.273 374 S C -0.971 173.727 174.600 0.164 0.000 1.168 374 S CA -0.776 57.383 58.200 -0.068 0.000 0.817 374 S CB 2.618 65.474 63.200 -0.574 0.000 1.146 374 S HN 0.579 nan 8.310 nan 0.000 0.475 375 F N -1.261 118.651 119.950 -0.064 0.000 2.693 375 F HA 0.868 5.367 4.527 -0.047 0.000 0.309 375 F C -2.302 173.591 175.800 0.155 0.000 1.129 375 F CA -1.564 56.498 58.000 0.103 0.000 0.948 375 F CB 0.791 39.893 39.000 0.170 0.000 1.315 375 F HN 0.636 nan 8.300 nan 0.000 0.447 376 F N 0.968 120.920 119.950 0.003 0.000 2.532 376 F HA 0.724 5.222 4.527 -0.048 0.000 0.321 376 F C -0.071 175.814 175.800 0.142 0.000 1.089 376 F CA -0.394 57.581 58.000 -0.042 0.000 0.926 376 F CB 2.383 41.417 39.000 0.056 0.000 1.168 376 F HN 0.862 nan 8.300 nan 0.000 0.459 377 T N 1.768 116.481 114.554 0.265 0.000 2.906 377 T HA 0.637 4.959 4.350 -0.047 0.000 0.295 377 T C -1.194 173.717 174.700 0.352 0.000 1.075 377 T CA -0.331 62.003 62.100 0.390 0.000 1.005 377 T CB 1.490 70.613 68.868 0.424 0.000 1.136 377 T HN 0.571 nan 8.240 nan 0.000 0.498 378 T N 3.722 118.466 114.554 0.317 0.000 2.848 378 T HA 0.603 4.924 4.350 -0.047 0.000 0.285 378 T C -0.803 173.928 174.700 0.052 0.000 0.995 378 T CA -0.574 61.629 62.100 0.171 0.000 0.970 378 T CB 0.727 69.681 68.868 0.143 0.000 0.976 378 T HN 0.417 nan 8.240 nan 0.000 0.441 379 I N 3.637 124.191 120.570 -0.028 0.000 2.698 379 I HA 0.377 4.518 4.170 -0.047 0.000 0.276 379 I C 1.171 177.179 176.117 -0.182 0.000 1.166 379 I CA 0.001 61.199 61.300 -0.171 0.000 1.101 379 I CB -0.138 37.810 38.000 -0.087 0.000 1.305 379 I HN 0.991 nan 8.210 nan 0.000 0.526 380 G N 6.208 114.908 108.800 -0.166 0.000 2.557 380 G HA2 -0.381 3.551 3.960 -0.047 0.000 0.292 380 G HA3 -0.381 3.551 3.960 -0.047 0.000 0.292 380 G C 0.962 175.755 174.900 -0.179 0.000 1.162 380 G CA 0.623 45.688 45.100 -0.058 0.000 0.964 380 G HN 0.548 nan 8.290 nan 0.000 0.541 381 N N 0.099 118.451 118.700 -0.580 0.000 2.354 381 N HA 0.013 4.725 4.740 -0.047 0.000 0.179 381 N C 0.575 175.710 175.510 -0.625 0.000 1.021 381 N CA 1.226 53.599 53.050 -1.129 0.000 0.887 381 N CB -0.027 37.323 38.487 -1.896 0.000 0.974 381 N HN 0.489 nan 8.380 nan 0.000 0.437 382 Y N 1.489 121.515 120.300 -0.458 0.000 2.320 382 Y HA 0.385 4.909 4.550 -0.044 0.000 0.324 382 Y C -0.370 175.229 175.900 -0.501 0.000 1.190 382 Y CA -1.434 56.361 58.100 -0.509 0.000 1.215 382 Y CB 0.927 39.041 38.460 -0.576 0.000 1.221 382 Y HN -0.037 nan 8.280 nan 0.000 0.486 383 D N 1.438 121.590 120.400 -0.413 0.000 2.646 383 D HA 0.461 5.073 4.640 -0.047 0.000 0.245 383 D C -1.546 174.432 176.300 -0.535 0.000 1.099 383 D CA -0.322 53.547 54.000 -0.219 0.000 0.849 383 D CB 1.452 42.326 40.800 0.123 0.000 1.448 383 D HN 0.230 nan 8.370 nan 0.000 0.489 384 Y N -0.205 120.053 120.300 -0.070 0.000 2.492 384 Y HA 0.673 5.194 4.550 -0.047 0.000 0.346 384 Y C 0.488 175.782 175.900 -1.010 0.000 0.997 384 Y CA -1.251 56.622 58.100 -0.378 0.000 1.025 384 Y CB 2.581 40.996 38.460 -0.074 0.000 1.263 384 Y HN 0.440 nan 8.280 nan 0.000 0.454 385 G N 1.730 109.899 108.800 -1.052 0.000 2.461 385 G HA2 0.630 4.562 3.960 -0.047 0.000 0.323 385 G HA3 0.630 4.562 3.960 -0.047 0.000 0.323 385 G C -1.916 172.672 174.900 -0.520 0.000 1.229 385 G CA -0.486 43.941 45.100 -1.123 0.000 0.941 385 G HN 0.278 nan 8.290 nan 0.000 0.477 386 F N 1.314 120.799 119.950 -0.774 0.000 2.426 386 F HA 0.531 5.029 4.527 -0.048 0.000 0.348 386 F C -0.727 174.719 175.800 -0.591 0.000 1.124 386 F CA -1.048 56.711 58.000 -0.402 0.000 1.008 386 F CB 1.869 40.817 39.000 -0.087 0.000 1.139 386 F HN 0.300 nan 8.300 nan 0.000 0.452 387 Y N 1.335 121.310 120.300 -0.543 0.000 2.361 387 Y HA 0.436 4.957 4.550 -0.048 0.000 0.337 387 Y C -1.122 174.130 175.900 -1.080 0.000 0.965 387 Y CA -1.489 56.186 58.100 -0.708 0.000 1.091 387 Y CB 1.439 39.377 38.460 -0.870 0.000 1.182 387 Y HN 0.523 nan 8.280 nan 0.000 0.450 388 W N 3.419 124.408 121.300 -0.518 0.000 2.529 388 W HA 0.613 5.245 4.660 -0.047 0.000 0.321 388 W C -1.448 174.656 176.519 -0.693 0.000 1.047 388 W CA -0.737 56.338 57.345 -0.450 0.000 1.216 388 W CB 1.162 30.503 29.460 -0.198 0.000 1.357 388 W HN 0.327 nan 8.180 nan 0.000 0.489 389 Y N 3.211 123.415 120.300 -0.160 0.000 2.391 389 Y HA 0.608 5.130 4.550 -0.048 0.000 0.341 389 Y C -0.276 175.330 175.900 -0.491 0.000 0.965 389 Y CA -1.490 56.331 58.100 -0.465 0.000 1.067 389 Y CB 1.157 39.239 38.460 -0.630 0.000 1.199 389 Y HN 0.059 nan 8.280 nan 0.000 0.450 390 L N 4.222 125.118 121.223 -0.545 0.000 2.333 390 L HA 0.529 4.841 4.340 -0.047 0.000 0.280 390 L C -1.199 175.479 176.870 -0.321 0.000 1.004 390 L CA -0.901 53.597 54.840 -0.570 0.000 0.820 390 L CB 1.285 42.732 42.059 -1.020 0.000 1.247 390 L HN 0.592 nan 8.230 nan 0.000 0.416 391 Y N 1.968 122.450 120.300 0.303 0.000 2.457 391 Y HA 0.301 4.823 4.550 -0.048 0.000 0.333 391 Y C 1.150 177.534 175.900 0.807 0.000 1.119 391 Y CA -0.718 57.677 58.100 0.492 0.000 1.143 391 Y CB 1.607 40.237 38.460 0.284 0.000 1.230 391 Y HN 0.452 nan 8.280 nan 0.000 0.469 392 L N 1.057 122.740 121.223 0.766 0.000 2.051 392 L HA -0.261 4.051 4.340 -0.047 0.000 0.214 392 L C 1.871 178.979 176.870 0.396 0.000 1.076 392 L CA 1.976 57.099 54.840 0.473 0.000 0.758 392 L CB -0.283 41.934 42.059 0.264 0.000 0.890 392 L HN 0.795 nan 8.230 nan 0.000 0.433 393 D N -0.503 120.102 120.400 0.341 0.000 2.352 393 D HA -0.052 4.559 4.640 -0.047 0.000 0.232 393 D C 1.325 177.694 176.300 0.115 0.000 1.055 393 D CA 0.921 55.009 54.000 0.147 0.000 0.891 393 D CB 0.271 41.130 40.800 0.099 0.000 0.897 393 D HN 0.438 nan 8.370 nan 0.000 0.529 394 G N -0.013 109.004 108.800 0.362 0.000 2.157 394 G HA2 -0.234 3.698 3.960 -0.047 0.000 0.239 394 G HA3 -0.234 3.698 3.960 -0.047 0.000 0.239 394 G C 0.313 175.637 174.900 0.707 0.000 0.982 394 G CA 0.215 45.533 45.100 0.362 0.000 0.650 394 G HN 0.433 nan 8.290 nan 0.000 0.527 395 T N 1.090 116.031 114.554 0.645 0.000 2.869 395 T HA 0.621 4.942 4.350 -0.047 0.000 0.295 395 T C 0.447 175.523 174.700 0.626 0.000 0.987 395 T CA 0.241 62.658 62.100 0.528 0.000 1.109 395 T CB 1.580 70.570 68.868 0.204 0.000 0.932 395 T HN 0.335 nan 8.240 nan 0.000 0.518 396 I N 2.505 123.361 120.570 0.478 0.000 2.433 396 I HA 0.505 4.647 4.170 -0.047 0.000 0.292 396 I C 0.140 176.404 176.117 0.246 0.000 1.001 396 I CA -0.588 60.899 61.300 0.311 0.000 1.119 396 I CB 1.815 39.969 38.000 0.257 0.000 1.289 396 I HN 0.596 nan 8.210 nan 0.000 0.438 397 E N 5.432 125.733 120.200 0.168 0.000 2.383 397 E HA 0.507 4.829 4.350 -0.047 0.000 0.275 397 E C -2.023 174.387 176.600 -0.317 0.000 0.918 397 E CA -0.670 55.711 56.400 -0.031 0.000 0.764 397 E CB 2.760 32.588 29.700 0.213 0.000 1.252 397 E HN 0.408 nan 8.360 nan 0.000 0.449 398 F N 2.103 121.472 119.950 -0.969 0.000 2.551 398 F HA 0.511 5.010 4.527 -0.048 0.000 0.316 398 F C -1.285 174.000 175.800 -0.859 0.000 1.089 398 F CA -0.519 56.727 58.000 -1.256 0.000 0.915 398 F CB 1.838 39.758 39.000 -1.801 0.000 1.186 398 F HN 0.489 nan 8.300 nan 0.000 0.456 399 E N 4.136 123.192 120.200 -1.906 0.000 2.290 399 E HA 0.704 5.025 4.350 -0.047 0.000 0.274 399 E C -1.963 173.734 176.600 -1.505 0.000 0.889 399 E CA -1.006 54.619 56.400 -1.292 0.000 0.760 399 E CB 1.842 31.239 29.700 -0.505 0.000 1.206 399 E HN 0.863 nan 8.360 nan 0.000 0.419 400 A N 4.655 126.815 122.820 -1.101 0.000 2.287 400 A HA 0.492 4.784 4.320 -0.047 0.000 0.317 400 A C -0.825 176.478 177.584 -0.468 0.000 1.220 400 A CA -0.743 50.766 52.037 -0.880 0.000 0.835 400 A CB 0.760 19.070 19.000 -1.151 0.000 1.180 400 A HN 0.522 nan 8.150 nan 0.000 0.500 401 K N 1.951 122.162 120.400 -0.315 0.000 2.293 401 K HA 0.569 4.861 4.320 -0.047 0.000 0.267 401 K C -0.397 176.145 176.600 -0.097 0.000 1.010 401 K CA -0.228 55.963 56.287 -0.160 0.000 0.875 401 K CB 2.005 34.477 32.500 -0.047 0.000 1.106 401 K HN 0.714 nan 8.250 nan 0.000 0.450 402 A N 2.630 125.416 122.820 -0.055 0.000 2.276 402 A HA 0.547 4.839 4.320 -0.047 0.000 0.316 402 A C -0.050 177.438 177.584 -0.159 0.000 1.229 402 A CA -0.263 51.723 52.037 -0.085 0.000 0.851 402 A CB 1.308 20.277 19.000 -0.053 0.000 1.165 402 A HN 0.694 nan 8.150 nan 0.000 0.513 403 T N 0.682 115.104 114.554 -0.220 0.000 2.598 403 T HA 0.808 5.129 4.350 -0.047 0.000 0.289 403 T C 0.303 174.932 174.700 -0.119 0.000 1.056 403 T CA 1.001 63.036 62.100 -0.108 0.000 1.088 403 T CB 0.769 69.647 68.868 0.017 0.000 1.519 403 T HN 2.645 nan 8.240 nan 0.000 0.488 404 G N -0.194 108.572 108.800 -0.056 0.000 2.384 404 G HA2 0.112 4.043 3.960 -0.047 0.000 0.200 404 G HA3 0.112 4.043 3.960 -0.047 0.000 0.200 404 G C -1.350 173.509 174.900 -0.068 0.000 1.205 404 G CA -0.164 44.908 45.100 -0.047 0.000 1.116 404 G HN 1.347 nan 8.290 nan 0.000 0.547 405 V N 0.989 120.805 119.914 -0.162 0.000 2.604 405 V HA 0.665 4.757 4.120 -0.047 0.000 0.305 405 V C 0.996 176.917 176.094 -0.288 0.000 1.043 405 V CA -0.126 62.047 62.300 -0.212 0.000 0.888 405 V CB 1.308 32.909 31.823 -0.369 0.000 0.995 405 V HN 1.745 nan 8.190 nan 0.000 0.429 406 V N 2.005 121.939 119.914 0.033 0.000 2.811 406 V HA 0.466 4.558 4.120 -0.047 0.000 0.302 406 V C -0.215 175.812 176.094 -0.112 0.000 1.063 406 V CA -0.306 62.006 62.300 0.021 0.000 1.088 406 V CB 0.702 32.719 31.823 0.323 0.000 0.982 406 V HN 0.615 nan 8.190 nan 0.000 0.485 407 F N 4.644 124.403 119.950 -0.319 0.000 2.467 407 F HA 0.524 5.026 4.527 -0.041 0.000 0.362 407 F C 0.974 176.827 175.800 0.089 0.000 1.090 407 F CA 0.291 58.191 58.000 -0.166 0.000 1.202 407 F CB 0.685 39.563 39.000 -0.203 0.000 1.113 407 F HN 0.988 nan 8.300 nan 0.000 0.541 408 T N 1.733 116.161 114.554 -0.209 0.000 2.923 408 T HA 0.829 5.151 4.350 -0.047 0.000 0.281 408 T C -0.135 174.512 174.700 -0.088 0.000 0.995 408 T CA -0.247 61.815 62.100 -0.063 0.000 0.985 408 T CB 1.568 70.428 68.868 -0.013 0.000 1.114 408 T HN 0.714 nan 8.240 nan 0.000 0.548 409 S N -0.828 114.823 115.700 -0.082 0.000 2.757 409 S HA 0.755 5.196 4.470 -0.047 0.000 0.285 409 S C -0.969 173.541 174.600 -0.149 0.000 1.196 409 S CA -0.831 57.285 58.200 -0.140 0.000 0.856 409 S CB 0.752 63.885 63.200 -0.112 0.000 1.212 409 S HN 1.385 nan 8.310 nan 0.000 0.516 410 A N 0.506 123.186 122.820 -0.234 0.000 2.310 410 A HA 0.718 5.010 4.320 -0.047 0.000 0.299 410 A C -0.875 176.654 177.584 -0.091 0.000 1.147 410 A CA -0.470 51.466 52.037 -0.169 0.000 0.818 410 A CB -0.040 18.791 19.000 -0.282 0.000 1.096 410 A HN 0.956 nan 8.150 nan 0.000 0.495 411 F N 5.293 125.172 119.950 -0.118 0.000 2.413 411 F HA 0.419 4.915 4.527 -0.051 0.000 0.359 411 F C -1.659 174.124 175.800 -0.028 0.000 1.122 411 F CA -2.610 55.339 58.000 -0.085 0.000 1.160 411 F CB 0.685 39.641 39.000 -0.072 0.000 1.146 411 F HN 0.395 nan 8.300 nan 0.000 0.514 412 P HA -0.070 nan 4.420 nan 0.000 0.267 412 P C -0.493 176.594 177.300 -0.356 0.000 1.200 412 P CA -0.076 62.834 63.100 -0.317 0.000 0.772 412 P CB 0.662 32.197 31.700 -0.275 0.000 0.855 413 E N 1.111 121.240 120.200 -0.119 0.000 2.384 413 E HA 0.199 4.521 4.350 -0.047 0.000 0.266 413 E C 0.976 177.516 176.600 -0.100 0.000 1.012 413 E CA 0.591 56.949 56.400 -0.069 0.000 0.901 413 E CB -0.244 29.442 29.700 -0.023 0.000 0.967 413 E HN 0.802 nan 8.360 nan 0.000 0.435 414 G N 2.695 111.458 108.800 -0.062 0.000 2.175 414 G HA2 -0.200 3.731 3.960 -0.047 0.000 0.244 414 G HA3 -0.200 3.731 3.960 -0.047 0.000 0.244 414 G C 0.666 175.522 174.900 -0.074 0.000 0.982 414 G CA 0.197 45.268 45.100 -0.049 0.000 0.641 414 G HN 1.466 nan 8.290 nan 0.000 0.527 415 G N -1.535 107.152 108.800 -0.188 0.000 2.681 415 G HA2 0.401 4.333 3.960 -0.047 0.000 0.220 415 G HA3 0.401 4.333 3.960 -0.047 0.000 0.220 415 G C -0.084 174.609 174.900 -0.347 0.000 1.353 415 G CA 0.983 45.947 45.100 -0.226 0.000 0.872 415 G HN 2.331 nan 8.290 nan 0.000 0.557 416 S N -1.528 114.082 115.700 -0.150 0.000 2.552 416 S HA 0.583 5.025 4.470 -0.047 0.000 0.272 416 S C -0.549 174.041 174.600 -0.017 0.000 1.150 416 S CA 0.488 58.607 58.200 -0.134 0.000 0.849 416 S CB 1.719 64.772 63.200 -0.245 0.000 1.113 416 S HN 0.652 nan 8.310 nan 0.000 0.458 417 D N 2.182 122.561 120.400 -0.036 0.000 2.349 417 D HA 0.240 4.851 4.640 -0.047 0.000 0.214 417 D C 0.252 176.534 176.300 -0.030 0.000 1.063 417 D CA 0.374 54.395 54.000 0.035 0.000 0.847 417 D CB 0.022 40.853 40.800 0.052 0.000 0.933 417 D HN 0.604 nan 8.370 nan 0.000 0.513 418 N N -0.559 117.935 118.700 -0.343 0.000 2.167 418 N HA 0.267 4.979 4.740 -0.047 0.000 0.234 418 N C -0.442 174.285 175.510 -1.304 0.000 1.312 418 N CA -0.025 52.578 53.050 -0.744 0.000 0.861 418 N CB 1.710 40.054 38.487 -0.239 0.000 1.217 418 N HN -0.023 nan 8.380 nan 0.000 0.504 419 I N 0.355 120.334 120.570 -0.985 0.000 2.752 419 I HA 0.352 4.494 4.170 -0.047 0.000 0.295 419 I C -0.834 175.298 176.117 0.026 0.000 1.219 419 I CA -0.966 60.068 61.300 -0.443 0.000 1.030 419 I CB 2.265 40.221 38.000 -0.073 0.000 1.259 419 I HN -0.061 nan 8.210 nan 0.000 0.423 420 S N 3.634 119.459 115.700 0.210 0.000 2.501 420 S HA 0.503 4.944 4.470 -0.047 0.000 0.301 420 S C -0.740 173.767 174.600 -0.155 0.000 1.096 420 S CA -0.818 57.483 58.200 0.167 0.000 1.063 420 S CB 1.958 65.329 63.200 0.285 0.000 1.042 420 S HN 0.665 nan 8.310 nan 0.000 0.494 421 Q N 1.562 120.972 119.800 -0.650 0.000 2.279 421 Q HA 0.409 4.720 4.340 -0.047 0.000 0.256 421 Q C -0.245 175.524 176.000 -0.384 0.000 0.937 421 Q CA -0.452 54.861 55.803 -0.816 0.000 0.933 421 Q CB 0.587 28.495 28.738 -1.383 0.000 1.189 421 Q HN 0.882 nan 8.270 nan 0.000 0.417 422 L N 2.413 123.439 121.223 -0.328 0.000 2.575 422 L HA 0.518 4.830 4.340 -0.047 0.000 0.228 422 L C 0.285 176.992 176.870 -0.272 0.000 1.075 422 L CA 0.076 54.758 54.840 -0.263 0.000 0.867 422 L CB 0.648 42.487 42.059 -0.366 0.000 1.097 422 L HN 0.649 nan 8.230 nan 0.000 0.485 423 A N -0.915 121.717 122.820 -0.313 0.000 2.599 423 A HA 0.644 4.936 4.320 -0.047 0.000 0.290 423 A C -2.765 174.738 177.584 -0.134 0.000 1.101 423 A CA -1.082 50.844 52.037 -0.184 0.000 0.674 423 A CB 0.553 19.418 19.000 -0.224 0.000 1.277 423 A HN -0.242 nan 8.150 nan 0.000 0.419 424 P HA 0.281 nan 4.420 nan 0.000 0.257 424 P C 1.040 178.338 177.300 -0.004 0.000 1.189 424 P CA 2.312 65.402 63.100 -0.016 0.000 0.780 424 P CB 0.325 32.034 31.700 0.014 0.000 0.772 425 G N 2.340 111.163 108.800 0.039 0.000 2.245 425 G HA2 -0.286 3.645 3.960 -0.047 0.000 0.264 425 G HA3 -0.286 3.645 3.960 -0.047 0.000 0.264 425 G C -0.114 174.813 174.900 0.046 0.000 0.985 425 G CA -0.092 45.055 45.100 0.079 0.000 0.625 425 G HN 0.568 nan 8.290 nan 0.000 0.536 426 L N 1.860 123.048 121.223 -0.059 0.000 2.292 426 L HA 0.769 5.080 4.340 -0.047 0.000 0.284 426 L C 0.755 177.541 176.870 -0.139 0.000 1.065 426 L CA 0.310 55.051 54.840 -0.165 0.000 0.806 426 L CB 1.161 42.991 42.059 -0.382 0.000 1.175 426 L HN 0.421 nan 8.230 nan 0.000 0.431 427 G N 3.240 111.999 108.800 -0.068 0.000 2.511 427 G HA2 0.780 4.711 3.960 -0.047 0.000 0.318 427 G HA3 0.780 4.711 3.960 -0.047 0.000 0.318 427 G C -1.676 173.205 174.900 -0.032 0.000 1.210 427 G CA -0.313 44.807 45.100 0.033 0.000 0.969 427 G HN 0.962 nan 8.290 nan 0.000 0.484 428 A N 1.735 124.584 122.820 0.048 0.000 2.569 428 A HA 0.735 5.027 4.320 -0.047 0.000 0.282 428 A C -2.743 174.967 177.584 0.209 0.000 1.165 428 A CA -1.243 50.866 52.037 0.119 0.000 0.747 428 A CB 1.613 20.675 19.000 0.103 0.000 1.215 428 A HN 0.471 nan 8.150 nan 0.000 0.431 429 P HA 0.242 nan 4.420 nan 0.000 0.269 429 P C -0.515 177.058 177.300 0.455 0.000 1.209 429 P CA 0.115 63.355 63.100 0.234 0.000 0.776 429 P CB 0.370 32.229 31.700 0.266 0.000 0.876 430 F N 2.645 122.705 119.950 0.184 0.000 2.518 430 F HA 0.204 4.703 4.527 -0.046 0.000 0.359 430 F C 1.627 177.385 175.800 -0.070 0.000 1.118 430 F CA 0.424 58.422 58.000 -0.004 0.000 1.287 430 F CB -0.581 38.449 39.000 0.050 0.000 1.132 430 F HN 0.492 nan 8.300 nan 0.000 0.587 431 H N -0.100 118.879 119.070 -0.152 0.000 2.918 431 H HA 0.555 5.083 4.556 -0.047 0.000 0.303 431 H C -1.744 173.380 175.328 -0.341 0.000 1.380 431 H CA -1.102 54.694 56.048 -0.421 0.000 1.134 431 H CB 1.557 30.661 29.762 -1.097 0.000 1.842 431 H HN 0.584 nan 8.280 nan 0.000 0.533 432 Q N -0.167 119.496 119.800 -0.228 0.000 2.484 432 Q HA 0.744 5.056 4.340 -0.047 0.000 0.285 432 Q C -1.347 174.565 176.000 -0.146 0.000 1.097 432 Q CA -1.268 54.404 55.803 -0.217 0.000 0.802 432 Q CB 3.267 31.880 28.738 -0.209 0.000 1.444 432 Q HN 0.766 nan 8.270 nan 0.000 0.429 433 A N 1.933 124.644 122.820 -0.182 0.000 2.522 433 A HA 0.578 4.869 4.320 -0.047 0.000 0.285 433 A C -1.045 176.319 177.584 -0.366 0.000 1.198 433 A CA -0.408 51.442 52.037 -0.312 0.000 0.742 433 A CB 0.221 19.070 19.000 -0.251 0.000 1.176 433 A HN 0.605 nan 8.150 nan 0.000 0.444 434 I N 2.760 123.055 120.570 -0.458 0.000 2.378 434 I HA 0.495 4.637 4.170 -0.047 0.000 0.291 434 I C -0.792 175.042 176.117 -0.472 0.000 0.992 434 I CA -0.446 60.639 61.300 -0.359 0.000 1.154 434 I CB 1.371 39.193 38.000 -0.297 0.000 1.315 434 I HN 0.518 nan 8.210 nan 0.000 0.448 435 F N 3.097 122.765 119.950 -0.471 0.000 2.461 435 F HA 0.582 5.081 4.527 -0.047 0.000 0.332 435 F C 0.665 176.284 175.800 -0.302 0.000 1.073 435 F CA -0.907 56.786 58.000 -0.512 0.000 1.017 435 F CB 1.393 39.763 39.000 -1.050 0.000 1.301 435 F HN 0.268 nan 8.300 nan 0.000 0.492 436 S N 0.435 116.174 115.700 0.065 0.000 2.720 436 S HA 0.748 5.189 4.470 -0.047 0.000 0.278 436 S C -1.158 173.553 174.600 0.184 0.000 1.172 436 S CA -0.545 57.749 58.200 0.157 0.000 1.019 436 S CB 0.494 63.686 63.200 -0.013 0.000 1.049 436 S HN 0.888 nan 8.310 nan 0.000 0.483 437 A N 4.459 127.437 122.820 0.263 0.000 2.290 437 A HA 0.733 5.025 4.320 -0.047 0.000 0.310 437 A C 0.049 177.674 177.584 0.068 0.000 1.202 437 A CA -0.692 51.474 52.037 0.214 0.000 0.837 437 A CB 0.608 19.754 19.000 0.244 0.000 1.139 437 A HN 0.827 nan 8.150 nan 0.000 0.509 438 R N 3.062 123.529 120.500 -0.055 0.000 2.265 438 R HA 0.574 4.886 4.340 -0.047 0.000 0.328 438 R C -1.732 174.384 176.300 -0.306 0.000 0.969 438 R CA -0.392 55.461 56.100 -0.412 0.000 0.832 438 R CB 0.424 30.356 30.300 -0.614 0.000 1.139 438 R HN 0.707 nan 8.270 nan 0.000 0.457 439 L N 4.239 125.272 121.223 -0.317 0.000 2.318 439 L HA 0.288 4.600 4.340 -0.047 0.000 0.277 439 L C -0.537 176.215 176.870 -0.196 0.000 1.008 439 L CA -0.904 53.831 54.840 -0.175 0.000 0.846 439 L CB 1.633 43.660 42.059 -0.054 0.000 1.220 439 L HN 0.535 nan 8.230 nan 0.000 0.423 440 D N 5.060 125.364 120.400 -0.159 0.000 2.422 440 D HA 0.194 4.805 4.640 -0.047 0.000 0.227 440 D C 0.038 176.329 176.300 -0.015 0.000 1.190 440 D CA -0.312 53.645 54.000 -0.072 0.000 0.905 440 D CB 0.635 41.414 40.800 -0.034 0.000 1.034 440 D HN 0.151 nan 8.370 nan 0.000 0.507 441 M N 2.495 122.099 119.600 0.007 0.000 2.228 441 M HA 0.345 4.796 4.480 -0.047 0.000 0.351 441 M C 0.313 176.632 176.300 0.033 0.000 1.233 441 M CA -0.384 54.920 55.300 0.007 0.000 1.129 441 M CB 0.732 33.344 32.600 0.020 0.000 1.604 441 M HN 0.491 nan 8.290 nan 0.000 0.457 442 A N 4.390 127.150 122.820 -0.101 0.000 3.415 442 A HA 0.396 4.687 4.320 -0.047 0.000 0.244 442 A C -0.289 177.176 177.584 -0.198 0.000 0.988 442 A CA -0.539 51.326 52.037 -0.287 0.000 0.991 442 A CB 0.118 18.754 19.000 -0.607 0.000 1.240 442 A HN 0.618 nan 8.150 nan 0.000 0.541 443 I N 1.744 122.267 120.570 -0.079 0.000 2.573 443 I HA 0.050 4.192 4.170 -0.047 0.000 0.295 443 I C 0.310 176.481 176.117 0.091 0.000 1.141 443 I CA 0.848 62.170 61.300 0.037 0.000 1.364 443 I CB -1.163 36.898 38.000 0.102 0.000 1.447 443 I HN 0.487 nan 8.210 nan 0.000 0.571 444 D N 4.884 125.361 120.400 0.128 0.000 2.837 444 D HA -0.154 4.458 4.640 -0.047 0.000 0.230 444 D C 0.647 176.905 176.300 -0.070 0.000 1.152 444 D CA 1.623 55.640 54.000 0.029 0.000 0.736 444 D CB -0.757 40.032 40.800 -0.018 0.000 1.084 444 D HN 1.078 nan 8.370 nan 0.000 0.429 445 G N -2.148 106.545 108.800 -0.178 0.000 2.353 445 G HA2 -0.053 3.878 3.960 -0.047 0.000 0.615 445 G HA3 -0.053 3.878 3.960 -0.047 0.000 0.615 445 G C 0.197 174.902 174.900 -0.324 0.000 1.280 445 G CA -0.375 44.557 45.100 -0.280 0.000 1.000 445 G HN 0.032 nan 8.290 nan 0.000 0.516 446 F N 0.817 120.757 119.950 -0.016 0.000 2.743 446 F HA 0.221 4.720 4.527 -0.048 0.000 0.297 446 F C 2.228 178.024 175.800 -0.007 0.000 1.131 446 F CA 1.147 59.130 58.000 -0.029 0.000 1.426 446 F CB 0.275 39.238 39.000 -0.060 0.000 1.116 446 F HN 0.294 nan 8.300 nan 0.000 0.583 447 T N 2.617 117.254 114.554 0.139 0.000 2.978 447 T HA 0.158 4.480 4.350 -0.047 0.000 0.278 447 T C -0.084 174.666 174.700 0.083 0.000 0.945 447 T CA -0.109 62.052 62.100 0.102 0.000 1.070 447 T CB -0.475 68.436 68.868 0.072 0.000 0.948 447 T HN -0.018 nan 8.240 nan 0.000 0.617 448 N N 2.600 121.358 118.700 0.096 0.000 2.453 448 N HA 0.729 5.440 4.740 -0.047 0.000 0.290 448 N C -0.163 175.400 175.510 0.088 0.000 1.250 448 N CA -1.041 52.061 53.050 0.087 0.000 0.815 448 N CB 2.014 40.555 38.487 0.090 0.000 1.381 448 N HN 0.639 nan 8.380 nan 0.000 0.510 449 R N -1.789 118.764 120.500 0.088 0.000 2.752 449 R HA 0.782 5.094 4.340 -0.047 0.000 0.271 449 R C -1.866 174.494 176.300 0.100 0.000 1.026 449 R CA -0.861 55.293 56.100 0.090 0.000 0.901 449 R CB 0.703 31.050 30.300 0.079 0.000 1.243 449 R HN 0.188 nan 8.270 nan 0.000 0.463 450 V N 0.906 120.886 119.914 0.109 0.000 2.656 450 V HA 0.439 4.531 4.120 -0.047 0.000 0.307 450 V C -0.770 175.409 176.094 0.142 0.000 1.051 450 V CA -0.685 61.695 62.300 0.134 0.000 0.893 450 V CB 1.946 33.856 31.823 0.144 0.000 0.999 450 V HN 0.771 nan 8.190 nan 0.000 0.426 451 E N 2.353 122.645 120.200 0.153 0.000 2.266 451 E HA 0.446 4.767 4.350 -0.047 0.000 0.268 451 E C -1.037 175.653 176.600 0.150 0.000 0.879 451 E CA -0.703 55.773 56.400 0.127 0.000 0.762 451 E CB 2.927 32.671 29.700 0.073 0.000 1.199 451 E HN 0.720 nan 8.360 nan 0.000 0.422 452 E N 2.489 122.764 120.200 0.125 0.000 2.167 452 E HA 0.064 4.385 4.350 -0.047 0.000 0.284 452 E C -0.970 175.557 176.600 -0.122 0.000 1.016 452 E CA -0.247 56.147 56.400 -0.011 0.000 0.817 452 E CB 0.892 30.647 29.700 0.091 0.000 1.080 452 E HN 0.385 nan 8.360 nan 0.000 0.397 453 E N 4.268 124.319 120.200 -0.249 0.000 2.113 453 E HA 0.176 4.497 4.350 -0.047 0.000 0.273 453 E C -1.293 175.183 176.600 -0.208 0.000 0.924 453 E CA -0.777 55.520 56.400 -0.173 0.000 0.764 453 E CB 0.936 30.556 29.700 -0.133 0.000 1.104 453 E HN 0.439 nan 8.360 nan 0.000 0.406 454 D N 2.339 122.661 120.400 -0.130 0.000 2.252 454 D HA 0.258 4.870 4.640 -0.047 0.000 0.245 454 D C -0.591 175.672 176.300 -0.062 0.000 1.009 454 D CA -0.530 53.402 54.000 -0.114 0.000 0.870 454 D CB 2.127 42.876 40.800 -0.085 0.000 1.251 454 D HN 0.140 nan 8.370 nan 0.000 0.460 455 V N 1.658 121.535 119.914 -0.063 0.000 2.715 455 V HA 0.194 4.286 4.120 -0.047 0.000 0.299 455 V C 0.027 176.114 176.094 -0.013 0.000 1.054 455 V CA -0.129 62.151 62.300 -0.032 0.000 1.077 455 V CB 1.394 33.164 31.823 -0.089 0.000 0.972 455 V HN 0.273 nan 8.190 nan 0.000 0.484 456 V N 6.486 126.422 119.914 0.037 0.000 2.376 456 V HA 0.423 4.514 4.120 -0.047 0.000 0.287 456 V C 0.235 176.373 176.094 0.072 0.000 1.015 456 V CA -0.781 61.542 62.300 0.040 0.000 0.834 456 V CB 1.443 33.291 31.823 0.042 0.000 1.001 456 V HN 0.805 nan 8.190 nan 0.000 0.428 457 R N 3.531 124.054 120.500 0.038 0.000 2.539 457 R HA 0.501 4.812 4.340 -0.047 0.000 0.275 457 R C -0.426 175.908 176.300 0.057 0.000 1.077 457 R CA -0.355 55.777 56.100 0.053 0.000 1.097 457 R CB 0.980 31.287 30.300 0.013 0.000 1.018 457 R HN 0.670 nan 8.270 nan 0.000 0.483 458 Q N 0.633 120.477 119.800 0.072 0.000 2.345 458 Q HA 0.286 4.598 4.340 -0.047 0.000 0.268 458 Q C -0.734 175.288 176.000 0.036 0.000 1.054 458 Q CA -0.697 55.135 55.803 0.049 0.000 0.835 458 Q CB 2.492 31.259 28.738 0.048 0.000 1.339 458 Q HN 0.460 nan 8.270 nan 0.000 0.447 459 T N 2.154 116.722 114.554 0.024 0.000 2.869 459 T HA 0.244 4.566 4.350 -0.047 0.000 0.295 459 T C 0.074 174.783 174.700 0.016 0.000 0.987 459 T CA -0.400 61.711 62.100 0.018 0.000 1.109 459 T CB 0.495 69.371 68.868 0.012 0.000 0.932 459 T HN 0.475 nan 8.240 nan 0.000 0.518 460 M N 3.087 122.696 119.600 0.014 0.000 2.248 460 M HA 0.435 4.887 4.480 -0.047 0.000 0.345 460 M C 0.511 176.815 176.300 0.008 0.000 1.243 460 M CA 0.959 56.265 55.300 0.011 0.000 1.090 460 M CB -0.464 32.142 32.600 0.011 0.000 1.683 460 M HN 0.913 nan 8.290 nan 0.000 0.450 461 G N 4.347 113.151 108.800 0.005 0.000 2.367 461 G HA2 0.198 4.129 3.960 -0.047 0.000 0.272 461 G HA3 0.198 4.129 3.960 -0.047 0.000 0.272 461 G C -3.392 171.508 174.900 0.001 0.000 1.271 461 G CA -1.150 43.952 45.100 0.003 0.000 0.893 461 G HN 0.418 nan 8.290 nan 0.000 0.485 462 P HA 0.313 nan 4.420 nan 0.000 0.261 462 P C 0.999 178.298 177.300 -0.003 0.000 1.183 462 P CA 2.386 65.485 63.100 -0.001 0.000 0.761 462 P CB 0.709 32.408 31.700 -0.001 0.000 0.785 463 G N 2.897 111.694 108.800 -0.005 0.000 2.205 463 G HA2 -0.282 3.649 3.960 -0.047 0.000 0.261 463 G HA3 -0.282 3.649 3.960 -0.047 0.000 0.261 463 G C 0.559 175.454 174.900 -0.009 0.000 0.980 463 G CA 0.404 45.499 45.100 -0.008 0.000 0.632 463 G HN 0.657 nan 8.290 nan 0.000 0.533 464 N N 0.279 118.976 118.700 -0.005 0.000 2.581 464 N HA 0.151 4.863 4.740 -0.047 0.000 0.274 464 N C 1.490 177.000 175.510 0.000 0.000 1.629 464 N CA 0.778 53.825 53.050 -0.004 0.000 0.884 464 N CB 0.209 38.697 38.487 0.001 0.000 1.423 464 N HN 0.312 nan 8.380 nan 0.000 0.507 465 E N -0.052 120.147 120.200 -0.001 0.000 2.265 465 E HA -0.156 4.166 4.350 -0.047 0.000 0.196 465 E C 0.942 177.543 176.600 0.002 0.000 0.996 465 E CA 0.866 57.266 56.400 0.000 0.000 0.832 465 E CB -0.025 29.674 29.700 -0.001 0.000 0.756 465 E HN 0.453 nan 8.360 nan 0.000 0.491 466 R N 0.117 120.617 120.500 0.002 0.000 2.297 466 R HA 0.104 4.416 4.340 -0.047 0.000 0.197 466 R C 0.829 177.135 176.300 0.010 0.000 0.943 466 R CA 0.490 56.593 56.100 0.004 0.000 1.038 466 R CB 0.142 30.443 30.300 0.002 0.000 0.957 466 R HN 0.329 nan 8.270 nan 0.000 0.484 467 G N 2.148 110.956 108.800 0.012 0.000 2.295 467 G HA2 -0.336 3.596 3.960 -0.047 0.000 0.287 467 G HA3 -0.336 3.596 3.960 -0.047 0.000 0.287 467 G C 0.155 175.075 174.900 0.034 0.000 1.055 467 G CA 0.888 46.001 45.100 0.021 0.000 0.922 467 G HN 0.686 nan 8.290 nan 0.000 0.503 468 N N -1.223 117.496 118.700 0.031 0.000 2.317 468 N HA 0.522 5.233 4.740 -0.047 0.000 0.199 468 N C 1.252 176.798 175.510 0.061 0.000 1.145 468 N CA 0.566 53.646 53.050 0.049 0.000 0.882 468 N CB 0.378 38.879 38.487 0.024 0.000 1.113 468 N HN 0.867 nan 8.380 nan 0.000 0.486 469 A N 0.730 123.561 122.820 0.019 0.000 2.483 469 A HA 0.423 4.715 4.320 -0.047 0.000 0.238 469 A C -0.554 177.083 177.584 0.088 0.000 1.070 469 A CA -0.046 51.975 52.037 -0.027 0.000 0.770 469 A CB -0.335 18.645 19.000 -0.033 0.000 1.008 469 A HN 0.508 nan 8.150 nan 0.000 0.497 470 F N 0.059 120.002 119.950 -0.012 0.000 2.641 470 F HA 0.778 5.277 4.527 -0.047 0.000 0.308 470 F C -0.348 175.443 175.800 -0.015 0.000 1.105 470 F CA -0.616 57.376 58.000 -0.014 0.000 0.964 470 F CB 0.879 39.869 39.000 -0.016 0.000 1.294 470 F HN 0.541 nan 8.300 nan 0.000 0.442 471 S N 1.442 117.288 115.700 0.243 0.000 2.921 471 S HA 0.855 5.297 4.470 -0.047 0.000 0.315 471 S C -1.326 173.372 174.600 0.163 0.000 1.087 471 S CA -0.855 57.418 58.200 0.123 0.000 0.877 471 S CB 1.431 64.661 63.200 0.049 0.000 1.340 471 S HN 1.079 nan 8.310 nan 0.000 0.622 472 R N 0.761 121.308 120.500 0.080 0.000 2.739 472 R HA 0.584 4.896 4.340 -0.047 0.000 0.271 472 R C -1.965 174.347 176.300 0.021 0.000 1.010 472 R CA -0.871 55.259 56.100 0.050 0.000 0.897 472 R CB 1.340 31.669 30.300 0.047 0.000 1.236 472 R HN 0.689 nan 8.270 nan 0.000 0.466 473 K N 1.862 122.263 120.400 0.002 0.000 2.426 473 K HA 0.585 4.876 4.320 -0.047 0.000 0.251 473 K C -1.151 175.442 176.600 -0.013 0.000 0.941 473 K CA -1.088 55.198 56.287 -0.002 0.000 0.808 473 K CB 2.691 35.191 32.500 -0.001 0.000 1.265 473 K HN 0.634 nan 8.250 nan 0.000 0.432 474 R N 1.312 121.810 120.500 -0.003 0.000 2.476 474 R HA 0.336 4.647 4.340 -0.047 0.000 0.305 474 R C -1.214 175.096 176.300 0.015 0.000 0.965 474 R CA -0.821 55.279 56.100 0.000 0.000 0.867 474 R CB 2.516 32.821 30.300 0.008 0.000 1.176 474 R HN 0.680 nan 8.270 nan 0.000 0.447 475 T N 2.048 116.617 114.554 0.024 0.000 2.791 475 T HA 0.150 4.472 4.350 -0.047 0.000 0.288 475 T C -0.342 174.394 174.700 0.060 0.000 0.999 475 T CA -0.541 61.582 62.100 0.039 0.000 0.952 475 T CB 1.760 70.652 68.868 0.040 0.000 0.938 475 T HN 0.241 nan 8.240 nan 0.000 0.444 476 V N 5.930 125.878 119.914 0.057 0.000 2.637 476 V HA 0.360 4.452 4.120 -0.047 0.000 0.296 476 V C -0.227 175.912 176.094 0.075 0.000 1.046 476 V CA -0.493 61.849 62.300 0.069 0.000 1.066 476 V CB 0.140 31.997 31.823 0.058 0.000 0.968 476 V HN 0.744 nan 8.190 nan 0.000 0.483 477 L N 7.363 128.641 121.223 0.091 0.000 2.261 477 L HA 0.319 4.630 4.340 -0.047 0.000 0.289 477 L C 1.464 178.381 176.870 0.078 0.000 1.059 477 L CA 0.073 54.966 54.840 0.088 0.000 0.816 477 L CB 1.009 43.130 42.059 0.105 0.000 1.191 477 L HN 0.930 nan 8.230 nan 0.000 0.431 478 T N -0.615 113.978 114.554 0.065 0.000 3.010 478 T HA 0.167 4.488 4.350 -0.047 0.000 0.252 478 T C 0.979 175.716 174.700 0.061 0.000 1.047 478 T CA 0.028 62.164 62.100 0.060 0.000 1.140 478 T CB 0.322 69.219 68.868 0.050 0.000 0.885 478 T HN 0.284 nan 8.240 nan 0.000 0.464 479 R N 1.022 121.558 120.500 0.060 0.000 2.803 479 R HA 0.496 4.808 4.340 -0.047 0.000 0.276 479 R C 0.781 177.122 176.300 0.069 0.000 0.978 479 R CA -0.687 55.450 56.100 0.060 0.000 0.939 479 R CB 1.170 31.499 30.300 0.049 0.000 1.179 479 R HN 0.290 nan 8.270 nan 0.000 0.472 480 E N 0.444 120.692 120.200 0.079 0.000 2.265 480 E HA -0.147 4.175 4.350 -0.047 0.000 0.196 480 E C 1.069 177.716 176.600 0.079 0.000 0.996 480 E CA 1.665 58.123 56.400 0.097 0.000 0.832 480 E CB 0.178 29.945 29.700 0.112 0.000 0.756 480 E HN 0.600 nan 8.360 nan 0.000 0.491 481 S N 0.291 116.026 115.700 0.059 0.000 2.555 481 S HA -0.072 4.370 4.470 -0.047 0.000 0.230 481 S C 1.235 175.849 174.600 0.024 0.000 0.978 481 S CA 0.614 58.839 58.200 0.041 0.000 0.934 481 S CB 0.025 63.246 63.200 0.035 0.000 0.766 481 S HN 0.221 nan 8.310 nan 0.000 0.533 482 E N 0.065 120.283 120.200 0.031 0.000 2.630 482 E HA 0.399 4.721 4.350 -0.047 0.000 0.218 482 E C 0.758 177.370 176.600 0.020 0.000 0.977 482 E CA 0.190 56.603 56.400 0.022 0.000 1.038 482 E CB 0.804 30.526 29.700 0.036 0.000 1.051 482 E HN 0.565 nan 8.360 nan 0.000 0.487 483 A N 0.943 123.776 122.820 0.021 0.000 2.507 483 A HA 0.228 4.519 4.320 -0.047 0.000 0.270 483 A C 0.327 177.863 177.584 -0.080 0.000 1.318 483 A CA -0.094 51.954 52.037 0.019 0.000 0.924 483 A CB 0.326 19.379 19.000 0.088 0.000 1.061 483 A HN 0.025 nan 8.150 nan 0.000 0.516 484 V N 2.942 122.739 119.914 -0.195 0.000 2.277 484 V HA 0.360 4.452 4.120 -0.047 0.000 0.269 484 V C -0.504 175.353 176.094 -0.396 0.000 1.036 484 V CA -0.691 61.291 62.300 -0.531 0.000 0.821 484 V CB 0.347 31.782 31.823 -0.647 0.000 1.052 484 V HN 0.443 nan 8.190 nan 0.000 0.462 485 R N 3.369 123.647 120.500 -0.369 0.000 2.732 485 R HA 0.624 4.936 4.340 -0.047 0.000 0.278 485 R C 0.004 176.239 176.300 -0.110 0.000 0.976 485 R CA -0.658 55.359 56.100 -0.139 0.000 0.963 485 R CB 1.974 32.297 30.300 0.038 0.000 1.150 485 R HN 0.863 nan 8.270 nan 0.000 0.478 486 E N 0.661 120.902 120.200 0.069 0.000 2.232 486 E HA 0.716 5.038 4.350 -0.047 0.000 0.264 486 E C -0.789 176.008 176.600 0.328 0.000 0.973 486 E CA -1.103 55.368 56.400 0.119 0.000 0.849 486 E CB 1.549 31.279 29.700 0.051 0.000 1.198 486 E HN 0.514 nan 8.360 nan 0.000 0.407 487 A N 0.880 123.881 122.820 0.302 0.000 2.313 487 A HA 0.301 4.592 4.320 -0.047 0.000 0.261 487 A C -0.334 177.342 177.584 0.153 0.000 1.090 487 A CA -0.254 51.980 52.037 0.328 0.000 0.807 487 A CB 0.476 19.657 19.000 0.301 0.000 1.055 487 A HN 0.693 nan 8.150 nan 0.000 0.492 488 D N 0.095 120.540 120.400 0.074 0.000 2.752 488 D HA 0.391 5.003 4.640 -0.047 0.000 0.242 488 D C 0.741 177.035 176.300 -0.011 0.000 1.295 488 D CA 0.309 54.319 54.000 0.018 0.000 0.846 488 D CB 0.672 41.464 40.800 -0.013 0.000 1.454 488 D HN 0.484 nan 8.370 nan 0.000 0.535 489 A N 2.456 125.288 122.820 0.019 0.000 1.940 489 A HA -0.187 4.104 4.320 -0.047 0.000 0.219 489 A C 2.100 179.671 177.584 -0.021 0.000 1.176 489 A CA 1.520 53.562 52.037 0.008 0.000 0.631 489 A CB -0.206 18.813 19.000 0.031 0.000 0.814 489 A HN 0.485 nan 8.150 nan 0.000 0.446 490 R N -0.252 120.237 120.500 -0.019 0.000 2.096 490 R HA -0.150 4.162 4.340 -0.047 0.000 0.240 490 R C 1.824 178.092 176.300 -0.053 0.000 1.139 490 R CA 2.128 58.209 56.100 -0.032 0.000 0.952 490 R CB -0.456 29.832 30.300 -0.021 0.000 0.854 490 R HN 0.615 nan 8.270 nan 0.000 0.436 491 T N -2.995 111.525 114.554 -0.057 0.000 3.244 491 T HA 0.232 4.554 4.350 -0.047 0.000 0.254 491 T C 0.845 175.488 174.700 -0.095 0.000 1.024 491 T CA 0.173 62.229 62.100 -0.074 0.000 0.920 491 T CB 0.517 69.345 68.868 -0.066 0.000 1.042 491 T HN 0.427 nan 8.240 nan 0.000 0.572 492 G N 2.398 111.144 108.800 -0.089 0.000 2.390 492 G HA2 -0.347 3.584 3.960 -0.047 0.000 0.299 492 G HA3 -0.347 3.584 3.960 -0.047 0.000 0.299 492 G C 0.028 174.840 174.900 -0.146 0.000 1.002 492 G CA 0.274 45.319 45.100 -0.092 0.000 0.979 492 G HN 0.926 nan 8.290 nan 0.000 0.513 493 R N 0.366 120.743 120.500 -0.206 0.000 2.489 493 R HA 0.473 4.785 4.340 -0.047 0.000 0.287 493 R C 0.885 176.807 176.300 -0.631 0.000 1.053 493 R CA 0.809 56.666 56.100 -0.404 0.000 1.036 493 R CB 0.336 30.389 30.300 -0.410 0.000 0.966 493 R HN 0.500 nan 8.270 nan 0.000 0.432 494 T N 0.576 114.661 114.554 -0.782 0.000 2.696 494 T HA 0.552 4.874 4.350 -0.047 0.000 0.291 494 T C -1.172 172.981 174.700 -0.913 0.000 1.095 494 T CA -0.941 60.705 62.100 -0.758 0.000 1.026 494 T CB 1.253 69.891 68.868 -0.383 0.000 1.390 494 T HN 0.592 nan 8.240 nan 0.000 0.513 495 W N 0.415 121.655 121.300 -0.100 0.000 2.957 495 W HA 0.608 5.240 4.660 -0.047 0.000 0.336 495 W C -1.325 175.164 176.519 -0.051 0.000 1.087 495 W CA -1.137 56.175 57.345 -0.054 0.000 1.235 495 W CB 1.733 31.170 29.460 -0.038 0.000 1.399 495 W HN 0.623 nan 8.180 nan 0.000 0.480 496 I N 4.009 124.669 120.570 0.150 0.000 2.404 496 I HA 0.346 4.487 4.170 -0.047 0.000 0.293 496 I C -0.392 175.806 176.117 0.135 0.000 0.992 496 I CA -1.041 60.323 61.300 0.108 0.000 1.149 496 I CB 1.542 39.577 38.000 0.058 0.000 1.315 496 I HN 0.072 nan 8.210 nan 0.000 0.446 497 I N 5.692 126.346 120.570 0.139 0.000 2.330 497 I HA 0.314 4.455 4.170 -0.047 0.000 0.289 497 I C 0.290 176.486 176.117 0.131 0.000 1.001 497 I CA 0.269 61.645 61.300 0.127 0.000 1.193 497 I CB 1.288 39.354 38.000 0.109 0.000 1.345 497 I HN 0.604 nan 8.210 nan 0.000 0.461 498 S N 3.962 119.730 115.700 0.112 0.000 2.671 498 S HA 0.602 5.044 4.470 -0.047 0.000 0.299 498 S C -0.685 173.971 174.600 0.093 0.000 1.116 498 S CA -0.936 57.331 58.200 0.112 0.000 0.912 498 S CB 1.937 65.190 63.200 0.089 0.000 1.130 498 S HN 0.503 nan 8.310 nan 0.000 0.501 499 N N 1.097 119.848 118.700 0.085 0.000 2.511 499 N HA 0.428 5.140 4.740 -0.047 0.000 0.249 499 N C -2.413 173.123 175.510 0.043 0.000 0.971 499 N CA -2.272 50.814 53.050 0.060 0.000 0.938 499 N CB 1.441 39.958 38.487 0.049 0.000 1.131 499 N HN 0.235 nan 8.380 nan 0.000 0.505 500 P HA -0.005 nan 4.420 nan 0.000 0.231 500 P C -0.200 177.113 177.300 0.021 0.000 1.158 500 P CA 1.147 64.267 63.100 0.033 0.000 0.763 500 P CB 0.428 32.151 31.700 0.038 0.000 0.805 501 E N -2.194 118.016 120.200 0.017 0.000 2.630 501 E HA 0.165 4.486 4.350 -0.047 0.000 0.218 501 E C -0.093 176.501 176.600 -0.009 0.000 0.977 501 E CA -0.064 56.340 56.400 0.007 0.000 1.038 501 E CB 0.489 30.196 29.700 0.011 0.000 1.051 501 E HN -0.124 nan 8.360 nan 0.000 0.487 502 S N 1.465 117.156 115.700 -0.016 0.000 2.667 502 S HA 0.278 4.720 4.470 -0.047 0.000 0.304 502 S C -0.842 173.727 174.600 -0.051 0.000 1.135 502 S CA -0.825 57.349 58.200 -0.045 0.000 1.125 502 S CB 0.076 63.240 63.200 -0.060 0.000 0.996 502 S HN -0.101 nan 8.310 nan 0.000 0.474 503 K N 3.332 123.702 120.400 -0.050 0.000 2.110 503 K HA 0.374 4.666 4.320 -0.047 0.000 0.263 503 K C 0.310 176.869 176.600 -0.069 0.000 0.975 503 K CA -0.741 55.519 56.287 -0.044 0.000 0.895 503 K CB 0.798 33.281 32.500 -0.028 0.000 1.060 503 K HN 0.784 nan 8.250 nan 0.000 0.448 504 N N 0.398 119.060 118.700 -0.064 0.000 2.418 504 N HA 0.072 4.784 4.740 -0.047 0.000 0.283 504 N C 0.827 176.311 175.510 -0.044 0.000 1.267 504 N CA -0.427 52.580 53.050 -0.072 0.000 0.975 504 N CB 0.297 38.746 38.487 -0.063 0.000 1.167 504 N HN 0.534 nan 8.380 nan 0.000 0.581 505 R N -0.735 119.744 120.500 -0.034 0.000 2.193 505 R HA 0.010 4.322 4.340 -0.047 0.000 0.229 505 R C 0.634 176.924 176.300 -0.016 0.000 1.110 505 R CA 1.185 57.272 56.100 -0.023 0.000 0.988 505 R CB -0.719 29.571 30.300 -0.015 0.000 0.871 505 R HN 0.561 nan 8.270 nan 0.000 0.458 506 L N 1.302 122.516 121.223 -0.015 0.000 2.653 506 L HA 0.138 4.449 4.340 -0.047 0.000 0.232 506 L C 0.271 177.134 176.870 -0.011 0.000 1.169 506 L CA -0.111 54.723 54.840 -0.011 0.000 0.951 506 L CB -0.619 41.435 42.059 -0.007 0.000 1.181 506 L HN 0.429 nan 8.230 nan 0.000 0.460 507 N N 1.475 120.166 118.700 -0.015 0.000 2.725 507 N HA -0.167 4.544 4.740 -0.047 0.000 0.249 507 N C -0.305 175.199 175.510 -0.010 0.000 1.103 507 N CA 0.481 53.523 53.050 -0.014 0.000 0.707 507 N CB -0.054 38.426 38.487 -0.010 0.000 1.043 507 N HN 0.406 nan 8.380 nan 0.000 0.553 508 E N 0.311 120.504 120.200 -0.011 0.000 2.183 508 E HA 0.395 4.716 4.350 -0.047 0.000 0.271 508 E C -2.465 174.132 176.600 -0.006 0.000 0.919 508 E CA -1.743 54.654 56.400 -0.004 0.000 0.781 508 E CB 1.459 31.159 29.700 0.000 0.000 1.140 508 E HN 0.103 nan 8.360 nan 0.000 0.402 509 P HA -0.079 nan 4.420 nan 0.000 0.261 509 P C 0.023 177.336 177.300 0.022 0.000 1.183 509 P CA 0.027 63.133 63.100 0.010 0.000 0.761 509 P CB 0.326 32.041 31.700 0.025 0.000 0.785 510 V N 2.185 122.105 119.914 0.009 0.000 2.999 510 V HA 0.665 4.756 4.120 -0.047 0.000 0.307 510 V C 0.573 176.767 176.094 0.167 0.000 1.084 510 V CA 0.463 62.794 62.300 0.051 0.000 1.155 510 V CB 0.149 31.929 31.823 -0.071 0.000 0.975 510 V HN 0.741 nan 8.190 nan 0.000 0.490 511 G N 2.025 110.972 108.800 0.246 0.000 2.550 511 G HA2 0.593 4.524 3.960 -0.047 0.000 0.293 511 G HA3 0.593 4.524 3.960 -0.047 0.000 0.293 511 G C -2.285 172.748 174.900 0.222 0.000 1.402 511 G CA -0.741 44.496 45.100 0.229 0.000 0.784 511 G HN 0.820 nan 8.290 nan 0.000 0.482 512 Y N -0.211 120.098 120.300 0.016 0.000 2.492 512 Y HA 0.652 5.174 4.550 -0.047 0.000 0.346 512 Y C 0.013 175.919 175.900 0.011 0.000 0.997 512 Y CA -0.830 57.262 58.100 -0.013 0.000 1.025 512 Y CB 2.849 41.271 38.460 -0.063 0.000 1.263 512 Y HN 0.526 nan 8.280 nan 0.000 0.454 513 K N 4.362 124.800 120.400 0.063 0.000 2.274 513 K HA 0.510 4.802 4.320 -0.047 0.000 0.262 513 K C -1.631 174.920 176.600 -0.082 0.000 0.961 513 K CA -0.624 55.638 56.287 -0.041 0.000 0.833 513 K CB 1.124 33.534 32.500 -0.149 0.000 1.102 513 K HN 0.767 nan 8.250 nan 0.000 0.436 514 L N 5.298 126.485 121.223 -0.059 0.000 2.276 514 L HA 0.326 4.638 4.340 -0.047 0.000 0.286 514 L C -1.198 175.587 176.870 -0.142 0.000 1.061 514 L CA -0.575 54.271 54.840 0.011 0.000 0.807 514 L CB 0.465 42.575 42.059 0.085 0.000 1.177 514 L HN 0.823 nan 8.230 nan 0.000 0.429 515 H N 4.047 123.217 119.070 0.167 0.000 2.595 515 H HA 0.531 5.058 4.556 -0.048 0.000 0.313 515 H C 0.003 175.453 175.328 0.205 0.000 1.023 515 H CA -0.298 55.838 56.048 0.146 0.000 1.218 515 H CB 1.555 31.386 29.762 0.114 0.000 1.403 515 H HN 0.780 nan 8.280 nan 0.000 0.477 516 A N 2.120 125.120 122.820 0.300 0.000 2.252 516 A HA 0.223 4.515 4.320 -0.047 0.000 0.305 516 A C 0.343 178.208 177.584 0.468 0.000 1.097 516 A CA -0.557 51.694 52.037 0.356 0.000 0.849 516 A CB 0.513 19.749 19.000 0.393 0.000 1.142 516 A HN 1.016 nan 8.150 nan 0.000 0.499 517 H N 0.379 119.600 119.070 0.253 0.000 2.563 517 H HA 0.034 4.562 4.556 -0.048 0.000 0.264 517 H C -0.184 175.241 175.328 0.163 0.000 0.957 517 H CA 0.153 56.303 56.048 0.170 0.000 1.173 517 H CB 0.210 30.059 29.762 0.145 0.000 1.420 517 H HN 0.734 nan 8.280 nan 0.000 0.551 518 N N 2.077 120.981 118.700 0.340 0.000 2.735 518 N HA -0.164 4.547 4.740 -0.047 0.000 0.248 518 N C -0.497 175.130 175.510 0.196 0.000 1.083 518 N CA 0.542 53.742 53.050 0.251 0.000 0.703 518 N CB -0.882 37.715 38.487 0.182 0.000 1.005 518 N HN 0.535 nan 8.380 nan 0.000 0.550 519 Q N -0.196 119.733 119.800 0.215 0.000 2.382 519 Q HA 0.345 4.657 4.340 -0.047 0.000 0.229 519 Q C -1.844 174.223 176.000 0.112 0.000 1.006 519 Q CA -0.947 54.948 55.803 0.153 0.000 0.916 519 Q CB 0.200 29.038 28.738 0.167 0.000 1.235 519 Q HN 0.146 nan 8.270 nan 0.000 0.512 520 P HA 0.034 nan 4.420 nan 0.000 0.272 520 P C -0.321 176.990 177.300 0.019 0.000 1.223 520 P CA 0.075 63.201 63.100 0.042 0.000 0.784 520 P CB 0.524 32.237 31.700 0.023 0.000 0.923 521 T N -0.323 114.236 114.554 0.008 0.000 2.902 521 T HA 0.337 4.659 4.350 -0.047 0.000 0.287 521 T C 0.245 174.906 174.700 -0.066 0.000 1.048 521 T CA -0.919 61.163 62.100 -0.031 0.000 0.941 521 T CB 0.039 68.900 68.868 -0.013 0.000 1.432 521 T HN 0.175 nan 8.240 nan 0.000 0.586 522 L N 1.177 122.334 121.223 -0.109 0.000 2.628 522 L HA 0.110 4.421 4.340 -0.047 0.000 0.274 522 L C 0.905 177.742 176.870 -0.054 0.000 1.209 522 L CA 0.280 55.054 54.840 -0.110 0.000 0.930 522 L CB -0.548 41.424 42.059 -0.145 0.000 1.183 522 L HN 0.640 nan 8.230 nan 0.000 0.492 523 L N 4.987 126.185 121.223 -0.042 0.000 2.341 523 L HA 0.170 4.481 4.340 -0.047 0.000 0.214 523 L C 1.451 178.329 176.870 0.013 0.000 1.115 523 L CA 0.258 55.095 54.840 -0.005 0.000 0.820 523 L CB -0.524 41.539 42.059 0.005 0.000 0.944 523 L HN 0.844 nan 8.230 nan 0.000 0.452 524 A N 1.108 123.933 122.820 0.008 0.000 2.587 524 A HA -0.141 4.151 4.320 -0.047 0.000 0.233 524 A C 0.392 177.994 177.584 0.030 0.000 1.049 524 A CA 0.009 52.064 52.037 0.029 0.000 0.754 524 A CB -0.165 18.854 19.000 0.031 0.000 0.977 524 A HN 0.326 nan 8.150 nan 0.000 0.509 525 D N 3.482 123.907 120.400 0.041 0.000 2.571 525 D HA -0.037 4.574 4.640 -0.047 0.000 0.231 525 D C -0.991 175.327 176.300 0.030 0.000 1.133 525 D CA -0.609 53.413 54.000 0.037 0.000 0.862 525 D CB 0.787 41.614 40.800 0.044 0.000 1.179 525 D HN 0.320 nan 8.370 nan 0.000 0.474 526 P HA -0.139 nan 4.420 nan 0.000 0.219 526 P C 1.056 178.367 177.300 0.019 0.000 1.144 526 P CA 1.212 64.322 63.100 0.018 0.000 0.806 526 P CB 0.096 31.805 31.700 0.016 0.000 0.771 527 G N -0.316 108.498 108.800 0.023 0.000 2.838 527 G HA2 0.005 3.937 3.960 -0.047 0.000 0.210 527 G HA3 0.005 3.937 3.960 -0.047 0.000 0.210 527 G C 0.708 175.624 174.900 0.027 0.000 1.153 527 G CA 0.286 45.399 45.100 0.021 0.000 0.778 527 G HN 0.462 nan 8.290 nan 0.000 0.539 528 S N -0.052 115.672 115.700 0.040 0.000 2.580 528 S HA 0.134 4.576 4.470 -0.047 0.000 0.261 528 S C 1.689 176.311 174.600 0.037 0.000 1.366 528 S CA 0.583 58.819 58.200 0.061 0.000 0.996 528 S CB 1.311 64.561 63.200 0.084 0.000 0.902 528 S HN 0.136 nan 8.310 nan 0.000 0.566 529 S N 0.464 116.187 115.700 0.037 0.000 2.355 529 S HA -0.134 4.308 4.470 -0.047 0.000 0.222 529 S C 1.724 176.317 174.600 -0.011 0.000 1.031 529 S CA 1.086 59.250 58.200 -0.060 0.000 0.993 529 S CB -0.840 62.201 63.200 -0.266 0.000 0.859 529 S HN 0.709 nan 8.310 nan 0.000 0.453 530 I N 2.037 122.650 120.570 0.071 0.000 2.361 530 I HA -0.016 4.125 4.170 -0.047 0.000 0.251 530 I C 2.307 178.463 176.117 0.065 0.000 1.133 530 I CA 1.314 62.683 61.300 0.114 0.000 1.413 530 I CB -0.854 37.230 38.000 0.141 0.000 1.073 530 I HN 0.337 nan 8.210 nan 0.000 0.424 531 A N 0.543 123.383 122.820 0.034 0.000 1.902 531 A HA -0.199 4.092 4.320 -0.047 0.000 0.217 531 A C 2.444 180.030 177.584 0.004 0.000 1.181 531 A CA 1.753 53.795 52.037 0.008 0.000 0.623 531 A CB -0.580 18.427 19.000 0.012 0.000 0.818 531 A HN 0.480 nan 8.150 nan 0.000 0.443 532 R N -0.903 119.595 120.500 -0.003 0.000 2.090 532 R HA 0.023 4.334 4.340 -0.047 0.000 0.228 532 R C 2.375 178.648 176.300 -0.045 0.000 1.110 532 R CA 1.162 57.246 56.100 -0.027 0.000 0.973 532 R CB -0.241 30.035 30.300 -0.039 0.000 0.869 532 R HN 0.445 nan 8.270 nan 0.000 0.440 533 R N 0.382 120.872 120.500 -0.016 0.000 2.115 533 R HA 0.052 4.363 4.340 -0.047 0.000 0.226 533 R C 0.922 177.284 176.300 0.104 0.000 1.100 533 R CA 1.182 57.270 56.100 -0.021 0.000 0.980 533 R CB 0.183 30.490 30.300 0.012 0.000 0.875 533 R HN 0.077 nan 8.270 nan 0.000 0.445 534 A N 0.127 123.055 122.820 0.180 0.000 3.041 534 A HA 0.478 4.769 4.320 -0.047 0.000 0.307 534 A C 1.065 178.643 177.584 -0.009 0.000 1.116 534 A CA -0.098 52.087 52.037 0.246 0.000 1.001 534 A CB 0.357 19.478 19.000 0.202 0.000 1.112 534 A HN 0.249 nan 8.150 nan 0.000 0.556 535 A N 0.163 122.987 122.820 0.006 0.000 2.076 535 A HA -0.038 4.253 4.320 -0.047 0.000 0.220 535 A C 1.740 179.335 177.584 0.018 0.000 1.160 535 A CA 1.706 53.742 52.037 -0.002 0.000 0.653 535 A CB -0.962 18.042 19.000 0.008 0.000 0.801 535 A HN 1.363 nan 8.150 nan 0.000 0.455 536 F N -0.259 119.556 119.950 -0.225 0.000 2.161 536 F HA 0.010 4.509 4.527 -0.048 0.000 0.300 536 F C 1.950 177.806 175.800 0.092 0.000 1.089 536 F CA 0.870 58.658 58.000 -0.352 0.000 1.282 536 F CB -0.876 37.835 39.000 -0.483 0.000 1.010 536 F HN 0.135 nan 8.300 nan 0.000 0.485 537 A N 0.353 122.534 122.820 -1.065 0.000 2.235 537 A HA 0.047 4.339 4.320 -0.047 0.000 0.208 537 A C 2.042 179.462 177.584 -0.273 0.000 1.172 537 A CA 1.107 52.641 52.037 -0.839 0.000 0.786 537 A CB -1.488 16.842 19.000 -1.117 0.000 0.804 537 A HN 0.588 nan 8.150 nan 0.000 0.479 538 T N -3.619 110.892 114.554 -0.071 0.000 3.067 538 T HA 0.186 4.508 4.350 -0.047 0.000 0.257 538 T C 0.737 175.453 174.700 0.028 0.000 1.105 538 T CA 0.288 62.387 62.100 -0.002 0.000 1.104 538 T CB 0.176 69.065 68.868 0.036 0.000 0.925 538 T HN 0.099 nan 8.240 nan 0.000 0.498 539 K N 1.008 121.470 120.400 0.103 0.000 2.395 539 K HA 0.460 4.752 4.320 -0.047 0.000 0.247 539 K C -0.364 176.269 176.600 0.055 0.000 0.973 539 K CA -0.561 55.699 56.287 -0.045 0.000 0.828 539 K CB 1.954 34.185 32.500 -0.450 0.000 1.272 539 K HN -0.035 nan 8.250 nan 0.000 0.439 540 D N 0.001 120.390 120.400 -0.018 0.000 2.240 540 D HA 0.050 4.662 4.640 -0.047 0.000 0.206 540 D C -0.101 176.217 176.300 0.030 0.000 0.963 540 D CA 0.509 54.548 54.000 0.065 0.000 0.863 540 D CB 0.369 41.262 40.800 0.155 0.000 0.973 540 D HN 0.091 nan 8.370 nan 0.000 0.501 541 L N -0.178 120.892 121.223 -0.254 0.000 2.455 541 L HA 0.483 4.795 4.340 -0.047 0.000 0.264 541 L C -2.032 174.676 176.870 -0.269 0.000 0.968 541 L CA -0.607 54.056 54.840 -0.296 0.000 0.827 541 L CB 1.575 43.002 42.059 -1.054 0.000 1.317 541 L HN -0.127 nan 8.230 nan 0.000 0.407 542 W N 4.262 125.551 121.300 -0.018 0.000 2.819 542 W HA 0.753 5.384 4.660 -0.048 0.000 0.337 542 W C -1.221 175.414 176.519 0.193 0.000 1.077 542 W CA -0.835 56.544 57.345 0.058 0.000 1.226 542 W CB 2.003 31.479 29.460 0.028 0.000 1.419 542 W HN 0.161 nan 8.180 nan 0.000 0.502 543 V N 2.818 122.948 119.914 0.359 0.000 2.483 543 V HA 0.715 4.807 4.120 -0.047 0.000 0.297 543 V C -0.049 176.244 176.094 0.332 0.000 1.027 543 V CA -0.780 61.714 62.300 0.323 0.000 0.855 543 V CB 1.344 33.273 31.823 0.177 0.000 0.995 543 V HN 0.595 nan 8.190 nan 0.000 0.424 544 T N 1.652 116.450 114.554 0.407 0.000 2.916 544 T HA 0.761 5.083 4.350 -0.047 0.000 0.292 544 T C -0.487 174.363 174.700 0.250 0.000 1.064 544 T CA -0.971 61.327 62.100 0.331 0.000 1.011 544 T CB 2.187 71.312 68.868 0.428 0.000 1.152 544 T HN 0.481 nan 8.240 nan 0.000 0.510 545 R N 0.868 121.472 120.500 0.174 0.000 2.340 545 R HA 0.362 4.674 4.340 -0.047 0.000 0.300 545 R C -0.815 175.562 176.300 0.129 0.000 1.069 545 R CA -1.037 55.145 56.100 0.138 0.000 0.984 545 R CB -0.587 29.769 30.300 0.093 0.000 1.003 545 R HN 0.781 nan 8.270 nan 0.000 0.459 546 Y N 3.047 123.353 120.300 0.010 0.000 2.683 546 Y HA 0.275 4.797 4.550 -0.047 0.000 0.340 546 Y C -0.679 175.177 175.900 -0.073 0.000 1.245 546 Y CA 1.050 59.126 58.100 -0.040 0.000 1.485 546 Y CB 0.516 38.921 38.460 -0.092 0.000 1.328 546 Y HN 0.756 nan 8.280 nan 0.000 0.603 547 A N 4.385 126.629 122.820 -0.959 0.000 2.532 547 A HA 0.268 4.559 4.320 -0.047 0.000 0.296 547 A C -0.111 176.858 177.584 -1.026 0.000 1.058 547 A CA -0.324 51.225 52.037 -0.813 0.000 0.729 547 A CB 0.410 19.157 19.000 -0.421 0.000 1.285 547 A HN 0.815 nan 8.150 nan 0.000 0.396 548 D N 1.464 121.386 120.400 -0.797 0.000 2.309 548 D HA -0.169 4.442 4.640 -0.047 0.000 0.212 548 D C 0.784 176.883 176.300 -0.334 0.000 0.968 548 D CA 1.537 55.236 54.000 -0.501 0.000 0.882 548 D CB 0.048 40.740 40.800 -0.180 0.000 0.918 548 D HN 0.607 nan 8.370 nan 0.000 0.503 549 D N 0.311 120.521 120.400 -0.316 0.000 2.350 549 D HA -0.092 4.519 4.640 -0.047 0.000 0.213 549 D C -0.099 176.024 176.300 -0.295 0.000 1.031 549 D CA -0.011 53.852 54.000 -0.230 0.000 0.861 549 D CB -0.362 40.349 40.800 -0.150 0.000 0.926 549 D HN 0.265 nan 8.370 nan 0.000 0.520 550 E N 0.933 120.856 120.200 -0.462 0.000 2.026 550 E HA 0.275 4.597 4.350 -0.047 0.000 0.253 550 E C 0.486 176.943 176.600 -0.239 0.000 1.056 550 E CA -0.229 55.776 56.400 -0.659 0.000 0.927 550 E CB 0.895 29.938 29.700 -1.095 0.000 1.172 550 E HN 0.138 nan 8.360 nan 0.000 0.445 551 R N 0.921 121.289 120.500 -0.220 0.000 2.254 551 R HA 0.124 4.435 4.340 -0.047 0.000 0.193 551 R C -0.249 175.767 176.300 -0.473 0.000 0.929 551 R CA 0.515 56.343 56.100 -0.453 0.000 1.038 551 R CB 0.595 30.330 30.300 -0.941 0.000 1.009 551 R HN 0.286 nan 8.270 nan 0.000 0.512 552 Y N -0.426 120.023 120.300 0.247 0.000 2.477 552 Y HA 0.282 4.804 4.550 -0.047 0.000 0.347 552 Y C -1.834 174.009 175.900 -0.096 0.000 0.981 552 Y CA -2.931 55.240 58.100 0.118 0.000 1.033 552 Y CB 1.599 40.033 38.460 -0.042 0.000 1.245 552 Y HN -0.192 nan 8.280 nan 0.000 0.455 553 P HA -0.104 nan 4.420 nan 0.000 0.223 553 P C 0.676 177.656 177.300 -0.533 0.000 1.151 553 P CA 1.611 64.335 63.100 -0.626 0.000 0.787 553 P CB 0.214 31.476 31.700 -0.730 0.000 0.788 554 T N -4.764 109.590 114.554 -0.333 0.000 3.085 554 T HA 0.521 4.842 4.350 -0.047 0.000 0.264 554 T C 0.879 175.420 174.700 -0.265 0.000 1.019 554 T CA 0.081 62.015 62.100 -0.276 0.000 0.910 554 T CB -0.015 68.749 68.868 -0.173 0.000 1.059 554 T HN 0.351 nan 8.240 nan 0.000 0.542 555 G N 1.387 110.100 108.800 -0.145 0.000 2.710 555 G HA2 -0.158 3.774 3.960 -0.047 0.000 0.668 555 G HA3 -0.158 3.774 3.960 -0.047 0.000 0.668 555 G C -0.234 174.661 174.900 -0.008 0.000 1.320 555 G CA -0.117 44.966 45.100 -0.028 0.000 0.860 555 G HN 0.192 nan 8.290 nan 0.000 0.538 556 D N -0.633 119.724 120.400 -0.072 0.000 2.289 556 D HA 0.101 4.713 4.640 -0.047 0.000 0.207 556 D C 0.397 176.209 176.300 -0.813 0.000 0.966 556 D CA 1.322 55.083 54.000 -0.398 0.000 0.868 556 D CB 0.222 40.754 40.800 -0.447 0.000 0.943 556 D HN 0.176 nan 8.370 nan 0.000 0.514 557 F N 0.447 120.339 119.950 -0.096 0.000 2.676 557 F HA 0.183 4.681 4.527 -0.048 0.000 0.371 557 F C 0.947 176.703 175.800 -0.074 0.000 1.141 557 F CA -0.610 57.277 58.000 -0.189 0.000 1.133 557 F CB 1.375 40.193 39.000 -0.304 0.000 1.376 557 F HN -0.364 nan 8.300 nan 0.000 0.491 558 V N 0.077 119.962 119.914 -0.048 0.000 2.649 558 V HA -0.125 3.966 4.120 -0.047 0.000 0.248 558 V C 1.206 177.186 176.094 -0.190 0.000 1.054 558 V CA 0.551 62.745 62.300 -0.176 0.000 1.073 558 V CB -0.503 31.091 31.823 -0.381 0.000 0.699 558 V HN 0.653 nan 8.190 nan 0.000 0.463 559 N N 1.655 120.276 118.700 -0.132 0.000 2.365 559 N HA -0.087 4.625 4.740 -0.047 0.000 0.265 559 N C 0.501 175.942 175.510 -0.116 0.000 1.288 559 N CA 0.745 53.719 53.050 -0.127 0.000 0.869 559 N CB -0.237 38.178 38.487 -0.120 0.000 1.071 559 N HN 0.496 nan 8.380 nan 0.000 0.480 560 Q N 0.115 119.851 119.800 -0.108 0.000 2.435 560 Q HA -0.324 3.987 4.340 -0.047 0.000 0.286 560 Q C -0.740 175.210 176.000 -0.083 0.000 1.229 560 Q CA 0.822 56.568 55.803 -0.095 0.000 0.884 560 Q CB -1.971 26.709 28.738 -0.098 0.000 1.245 560 Q HN 0.732 nan 8.270 nan 0.000 0.488 561 H N -0.605 118.355 119.070 -0.182 0.000 2.548 561 H HA 0.231 4.759 4.556 -0.048 0.000 0.331 561 H C 1.480 176.711 175.328 -0.163 0.000 1.093 561 H CA 0.224 56.175 56.048 -0.162 0.000 1.367 561 H CB 0.959 30.614 29.762 -0.178 0.000 1.455 561 H HN 0.309 nan 8.280 nan 0.000 0.519 562 S N 2.976 118.777 115.700 0.169 0.000 2.356 562 S HA 0.098 4.540 4.470 -0.047 0.000 0.223 562 S C 0.949 175.533 174.600 -0.028 0.000 1.032 562 S CA 0.597 58.815 58.200 0.030 0.000 1.005 562 S CB 0.000 63.210 63.200 0.017 0.000 0.867 562 S HN 0.962 nan 8.310 nan 0.000 0.449 563 G N -2.032 106.746 108.800 -0.036 0.000 2.352 563 G HA2 0.508 4.440 3.960 -0.047 0.000 0.303 563 G HA3 0.508 4.440 3.960 -0.047 0.000 0.303 563 G C 0.304 175.118 174.900 -0.144 0.000 1.593 563 G CA -0.096 44.930 45.100 -0.124 0.000 0.963 563 G HN 1.483 nan 8.290 nan 0.000 0.685 564 G N -0.857 107.841 108.800 -0.169 0.000 2.160 564 G HA2 0.088 4.020 3.960 -0.047 0.000 0.251 564 G HA3 0.088 4.020 3.960 -0.047 0.000 0.251 564 G C 1.492 176.246 174.900 -0.243 0.000 1.008 564 G CA 1.469 46.470 45.100 -0.164 0.000 0.724 564 G HN 2.307 nan 8.290 nan 0.000 0.514 565 A N -0.167 122.428 122.820 -0.375 0.000 1.827 565 A HA 0.354 4.646 4.320 -0.047 0.000 0.215 565 A C 2.559 179.864 177.584 -0.464 0.000 1.212 565 A CA 2.543 54.309 52.037 -0.452 0.000 0.624 565 A CB -1.118 17.414 19.000 -0.780 0.000 0.853 565 A HN 1.723 nan 8.150 nan 0.000 0.450 566 G N -1.054 107.388 108.800 -0.596 0.000 2.679 566 G HA2 0.153 4.085 3.960 -0.047 0.000 0.185 566 G HA3 0.153 4.085 3.960 -0.047 0.000 0.185 566 G C 1.350 175.323 174.900 -1.545 0.000 1.656 566 G CA 0.434 44.914 45.100 -1.032 0.000 0.892 566 G HN 0.410 nan 8.290 nan 0.000 0.389 567 L N 1.411 121.821 121.223 -1.354 0.000 2.010 567 L HA -0.160 4.151 4.340 -0.047 0.000 0.219 567 L C 0.283 176.744 176.870 -0.681 0.000 1.077 567 L CA 1.951 56.076 54.840 -1.191 0.000 0.773 567 L CB -1.589 39.508 42.059 -1.604 0.000 0.892 567 L HN 0.261 nan 8.230 nan 0.000 0.436 568 P HA -0.164 nan 4.420 nan 0.000 0.217 568 P C 1.849 179.066 177.300 -0.139 0.000 1.148 568 P CA 1.553 64.561 63.100 -0.153 0.000 0.828 568 P CB 0.085 31.714 31.700 -0.118 0.000 0.783 569 S N -2.364 113.176 115.700 -0.267 0.000 2.388 569 S HA -0.096 4.346 4.470 -0.047 0.000 0.223 569 S C 1.709 176.316 174.600 0.012 0.000 1.034 569 S CA 0.601 58.724 58.200 -0.128 0.000 0.963 569 S CB -0.793 62.321 63.200 -0.143 0.000 0.827 569 S HN -0.026 nan 8.310 nan 0.000 0.481 570 Y N 1.838 122.065 120.300 -0.121 0.000 2.145 570 Y HA -0.011 4.510 4.550 -0.047 0.000 0.286 570 Y C 2.344 178.222 175.900 -0.037 0.000 1.145 570 Y CA -0.078 57.964 58.100 -0.097 0.000 1.148 570 Y CB -1.106 37.253 38.460 -0.168 0.000 0.981 570 Y HN 0.229 nan 8.280 nan 0.000 0.507 571 I N 0.137 120.787 120.570 0.133 0.000 2.335 571 I HA -0.270 3.872 4.170 -0.047 0.000 0.251 571 I C 2.391 178.568 176.117 0.101 0.000 1.129 571 I CA 1.470 62.853 61.300 0.139 0.000 1.402 571 I CB -1.539 36.582 38.000 0.201 0.000 1.069 571 I HN 0.158 nan 8.210 nan 0.000 0.424 572 A N -0.004 122.860 122.820 0.074 0.000 2.172 572 A HA -0.191 4.100 4.320 -0.047 0.000 0.216 572 A C 2.116 179.732 177.584 0.053 0.000 1.154 572 A CA 0.917 52.987 52.037 0.055 0.000 0.701 572 A CB -0.492 18.530 19.000 0.036 0.000 0.789 572 A HN 0.551 nan 8.150 nan 0.000 0.465 573 Q N -1.289 118.549 119.800 0.065 0.000 2.297 573 Q HA -0.082 4.229 4.340 -0.047 0.000 0.204 573 Q C 0.080 176.110 176.000 0.050 0.000 0.962 573 Q CA 0.503 56.338 55.803 0.053 0.000 0.879 573 Q CB -0.007 28.763 28.738 0.053 0.000 0.947 573 Q HN 0.573 nan 8.270 nan 0.000 0.462 574 D N 0.730 121.166 120.400 0.061 0.000 2.705 574 D HA -0.155 4.457 4.640 -0.047 0.000 0.240 574 D C -0.912 175.421 176.300 0.054 0.000 1.137 574 D CA 0.568 54.602 54.000 0.057 0.000 0.677 574 D CB -0.625 40.202 40.800 0.045 0.000 1.049 574 D HN 0.216 nan 8.370 nan 0.000 0.427 575 R N 0.222 120.760 120.500 0.062 0.000 2.649 575 R HA 0.355 4.667 4.340 -0.047 0.000 0.270 575 R C 0.203 176.540 176.300 0.063 0.000 1.105 575 R CA -0.515 55.620 56.100 0.057 0.000 1.193 575 R CB 0.373 30.708 30.300 0.058 0.000 1.120 575 R HN 0.134 nan 8.270 nan 0.000 0.561 576 D N 1.470 121.904 120.400 0.057 0.000 2.339 576 D HA 0.060 4.671 4.640 -0.047 0.000 0.256 576 D C 0.614 176.956 176.300 0.070 0.000 1.214 576 D CA -0.102 53.933 54.000 0.058 0.000 0.877 576 D CB 0.509 41.338 40.800 0.049 0.000 1.111 576 D HN 0.512 nan 8.370 nan 0.000 0.478 577 I N -0.012 120.604 120.570 0.078 0.000 4.018 577 I HA 0.311 4.452 4.170 -0.047 0.000 0.337 577 I C 0.443 176.610 176.117 0.084 0.000 1.327 577 I CA -0.395 60.959 61.300 0.090 0.000 1.100 577 I CB 0.292 38.356 38.000 0.107 0.000 1.025 577 I HN 0.105 nan 8.210 nan 0.000 0.396 578 D N 3.126 123.569 120.400 0.072 0.000 2.470 578 D HA 0.305 4.916 4.640 -0.047 0.000 0.226 578 D C 1.118 177.456 176.300 0.063 0.000 1.196 578 D CA 0.642 54.682 54.000 0.066 0.000 0.979 578 D CB -0.018 40.816 40.800 0.057 0.000 1.059 578 D HN 0.559 nan 8.370 nan 0.000 0.515 579 G N 2.989 111.830 108.800 0.070 0.000 2.255 579 G HA2 -0.176 3.755 3.960 -0.047 0.000 0.239 579 G HA3 -0.176 3.755 3.960 -0.047 0.000 0.239 579 G C -0.045 174.898 174.900 0.072 0.000 1.083 579 G CA -0.345 44.795 45.100 0.067 0.000 0.826 579 G HN 0.479 nan 8.290 nan 0.000 0.493 580 Q N -0.701 119.150 119.800 0.084 0.000 2.892 580 Q HA 0.419 4.730 4.340 -0.047 0.000 0.307 580 Q C -1.000 175.066 176.000 0.110 0.000 1.039 580 Q CA -0.924 54.932 55.803 0.088 0.000 0.792 580 Q CB 0.895 29.681 28.738 0.080 0.000 1.504 580 Q HN 0.212 nan 8.270 nan 0.000 0.487 581 D N 1.728 122.185 120.400 0.095 0.000 2.338 581 D HA 0.334 4.945 4.640 -0.047 0.000 0.255 581 D C -0.468 175.901 176.300 0.116 0.000 1.237 581 D CA 0.065 54.115 54.000 0.084 0.000 0.883 581 D CB -0.147 40.596 40.800 -0.094 0.000 1.087 581 D HN 0.425 nan 8.370 nan 0.000 0.485 582 I N 0.116 120.768 120.570 0.137 0.000 3.002 582 I HA 0.660 4.801 4.170 -0.047 0.000 0.310 582 I C -1.025 175.164 176.117 0.120 0.000 1.087 582 I CA -1.080 60.306 61.300 0.143 0.000 1.017 582 I CB 2.227 40.306 38.000 0.132 0.000 1.226 582 I HN -0.075 nan 8.210 nan 0.000 0.443 583 V N 3.694 123.679 119.914 0.120 0.000 2.656 583 V HA 0.510 4.602 4.120 -0.047 0.000 0.307 583 V C -0.221 175.856 176.094 -0.029 0.000 1.051 583 V CA -0.710 61.575 62.300 -0.025 0.000 0.893 583 V CB 1.962 33.728 31.823 -0.095 0.000 0.999 583 V HN 0.574 nan 8.190 nan 0.000 0.426 584 V N 3.059 122.881 119.914 -0.153 0.000 2.459 584 V HA 0.489 4.580 4.120 -0.047 0.000 0.295 584 V C -1.267 174.750 176.094 -0.129 0.000 1.029 584 V CA -0.528 61.760 62.300 -0.020 0.000 0.874 584 V CB 1.806 33.623 31.823 -0.009 0.000 0.985 584 V HN 0.929 nan 8.190 nan 0.000 0.438 585 W N 3.830 125.192 121.300 0.102 0.000 2.336 585 W HA 0.508 5.139 4.660 -0.048 0.000 0.315 585 W C -0.172 176.457 176.519 0.183 0.000 1.016 585 W CA -0.560 56.854 57.345 0.114 0.000 1.318 585 W CB 0.592 30.102 29.460 0.082 0.000 1.247 585 W HN 0.587 nan 8.180 nan 0.000 0.414 586 H N 1.828 120.993 119.070 0.158 0.000 2.519 586 H HA 0.480 5.008 4.556 -0.047 0.000 0.316 586 H C -0.292 175.208 175.328 0.288 0.000 1.065 586 H CA -0.231 55.860 56.048 0.071 0.000 1.264 586 H CB 0.915 30.505 29.762 -0.286 0.000 1.413 586 H HN 0.166 nan 8.280 nan 0.000 0.465 587 T N 7.272 121.784 114.554 -0.069 0.000 2.806 587 T HA 0.430 4.752 4.350 -0.047 0.000 0.290 587 T C -0.980 173.632 174.700 -0.147 0.000 0.966 587 T CA -0.237 61.865 62.100 0.003 0.000 1.060 587 T CB -0.275 68.682 68.868 0.148 0.000 0.927 587 T HN 0.508 nan 8.240 nan 0.000 0.485 588 F N -0.099 119.748 119.950 -0.172 0.000 2.635 588 F HA 0.800 5.299 4.527 -0.047 0.000 0.314 588 F C -0.329 175.548 175.800 0.129 0.000 1.119 588 F CA -1.045 56.908 58.000 -0.078 0.000 1.000 588 F CB 0.938 39.858 39.000 -0.133 0.000 1.278 588 F HN 0.806 nan 8.300 nan 0.000 0.446 589 G N 1.996 110.890 108.800 0.156 0.000 2.606 589 G HA2 0.610 4.542 3.960 -0.047 0.000 0.300 589 G HA3 0.610 4.542 3.960 -0.047 0.000 0.300 589 G C -2.437 172.519 174.900 0.094 0.000 1.360 589 G CA -1.165 44.012 45.100 0.127 0.000 0.783 589 G HN 0.824 nan 8.290 nan 0.000 0.484 590 L N 0.514 121.759 121.223 0.037 0.000 2.317 590 L HA 0.559 4.871 4.340 -0.047 0.000 0.281 590 L C -0.118 176.675 176.870 -0.129 0.000 1.024 590 L CA -0.680 54.141 54.840 -0.033 0.000 0.810 590 L CB 2.289 44.315 42.059 -0.056 0.000 1.240 590 L HN 0.411 nan 8.230 nan 0.000 0.427 591 T N 1.095 115.547 114.554 -0.170 0.000 2.743 591 T HA 0.232 4.553 4.350 -0.047 0.000 0.292 591 T C -0.579 173.852 174.700 -0.449 0.000 0.972 591 T CA -0.230 61.669 62.100 -0.334 0.000 0.967 591 T CB 0.093 68.781 68.868 -0.300 0.000 0.926 591 T HN 0.409 nan 8.240 nan 0.000 0.459 592 H N 3.132 121.751 119.070 -0.751 0.000 2.541 592 H HA 0.383 4.911 4.556 -0.047 0.000 0.316 592 H C -1.162 173.668 175.328 -0.829 0.000 1.043 592 H CA -1.041 54.576 56.048 -0.717 0.000 1.232 592 H CB 0.428 29.786 29.762 -0.673 0.000 1.406 592 H HN 0.444 nan 8.280 nan 0.000 0.469 593 F N 6.403 126.158 119.950 -0.325 0.000 2.307 593 F HA 0.281 4.779 4.527 -0.049 0.000 0.369 593 F C -2.056 173.565 175.800 -0.298 0.000 1.076 593 F CA -2.530 55.171 58.000 -0.498 0.000 1.149 593 F CB 0.764 39.398 39.000 -0.611 0.000 1.410 593 F HN 0.504 nan 8.300 nan 0.000 0.481 594 P HA -0.023 nan 4.420 nan 0.000 0.264 594 P C -0.360 176.978 177.300 0.063 0.000 1.173 594 P CA 0.212 63.192 63.100 -0.199 0.000 0.761 594 P CB 0.494 32.137 31.700 -0.094 0.000 0.794 595 R N 1.566 122.143 120.500 0.129 0.000 2.832 595 R HA 0.427 4.739 4.340 -0.047 0.000 0.271 595 R C 0.430 176.805 176.300 0.125 0.000 0.996 595 R CA -0.903 55.265 56.100 0.114 0.000 0.977 595 R CB 0.505 30.877 30.300 0.120 0.000 1.168 595 R HN 0.070 nan 8.270 nan 0.000 0.482 596 V N 1.275 121.243 119.914 0.090 0.000 2.453 596 V HA -0.253 3.838 4.120 -0.047 0.000 0.252 596 V C 1.832 178.026 176.094 0.167 0.000 1.068 596 V CA 2.190 64.559 62.300 0.114 0.000 1.070 596 V CB -0.822 31.042 31.823 0.069 0.000 0.664 596 V HN 0.886 nan 8.190 nan 0.000 0.461 597 E N -0.547 119.731 120.200 0.131 0.000 2.494 597 E HA -0.103 4.219 4.350 -0.047 0.000 0.193 597 E C 0.759 177.439 176.600 0.133 0.000 1.074 597 E CA 0.428 56.898 56.400 0.118 0.000 0.867 597 E CB -0.236 29.509 29.700 0.075 0.000 0.924 597 E HN 0.548 nan 8.360 nan 0.000 0.502 598 D N -0.132 120.386 120.400 0.197 0.000 2.348 598 D HA -0.010 4.602 4.640 -0.047 0.000 0.211 598 D C -0.217 176.247 176.300 0.273 0.000 0.998 598 D CA 0.210 54.346 54.000 0.227 0.000 0.873 598 D CB 0.168 41.157 40.800 0.315 0.000 0.925 598 D HN 0.289 nan 8.370 nan 0.000 0.524 599 W N 1.894 123.234 121.300 0.068 0.000 2.551 599 W HA 0.246 4.876 4.660 -0.050 0.000 0.330 599 W C -2.180 174.380 176.519 0.068 0.000 1.063 599 W CA -2.075 55.310 57.345 0.067 0.000 1.222 599 W CB 2.090 31.584 29.460 0.057 0.000 1.349 599 W HN -0.194 nan 8.180 nan 0.000 0.536 600 P HA 0.220 nan 4.420 nan 0.000 0.262 600 P C -0.422 176.456 177.300 -0.703 0.000 1.304 600 P CA 0.525 62.664 63.100 -1.601 0.000 0.859 600 P CB 0.825 31.591 31.700 -1.557 0.000 1.310 601 I N -0.572 119.784 120.570 -0.358 0.000 2.743 601 I HA 0.348 4.489 4.170 -0.047 0.000 0.292 601 I C -1.384 174.626 176.117 -0.178 0.000 1.343 601 I CA -1.719 59.380 61.300 -0.336 0.000 1.038 601 I CB 2.324 39.872 38.000 -0.753 0.000 1.311 601 I HN -0.253 nan 8.210 nan 0.000 0.426 602 M N 8.839 128.389 119.600 -0.083 0.000 2.188 602 M HA 0.642 5.094 4.480 -0.047 0.000 0.357 602 M C -2.653 173.624 176.300 -0.039 0.000 1.204 602 M CA -1.190 54.114 55.300 0.006 0.000 1.095 602 M CB 1.175 33.846 32.600 0.119 0.000 1.604 602 M HN 0.224 nan 8.290 nan 0.000 0.464 603 P HA 0.122 nan 4.420 nan 0.000 0.271 603 P C -0.700 176.577 177.300 -0.037 0.000 1.216 603 P CA -0.465 62.613 63.100 -0.036 0.000 0.776 603 P CB 0.766 32.453 31.700 -0.022 0.000 0.881 604 V N 3.144 123.038 119.914 -0.033 0.000 2.814 604 V HA -0.048 4.044 4.120 -0.047 0.000 0.307 604 V C 0.605 176.665 176.094 -0.057 0.000 1.089 604 V CA 1.232 63.513 62.300 -0.032 0.000 1.212 604 V CB -0.001 31.821 31.823 -0.001 0.000 0.912 604 V HN 0.627 nan 8.190 nan 0.000 0.497 605 D N 1.628 121.978 120.400 -0.083 0.000 2.601 605 D HA 0.710 5.322 4.640 -0.047 0.000 0.230 605 D C -0.389 175.852 176.300 -0.098 0.000 1.106 605 D CA -0.151 53.792 54.000 -0.096 0.000 0.873 605 D CB 2.429 43.142 40.800 -0.144 0.000 1.515 605 D HN 0.754 nan 8.370 nan 0.000 0.468 606 T N -1.541 112.962 114.554 -0.086 0.000 2.887 606 T HA 0.796 5.117 4.350 -0.047 0.000 0.292 606 T C -1.008 173.665 174.700 -0.046 0.000 1.087 606 T CA -0.792 61.246 62.100 -0.103 0.000 1.009 606 T CB 1.508 70.304 68.868 -0.120 0.000 1.203 606 T HN 0.289 nan 8.240 nan 0.000 0.518 607 V N -0.602 119.260 119.914 -0.086 0.000 3.204 607 V HA 0.867 4.959 4.120 -0.047 0.000 0.298 607 V C -0.223 175.762 176.094 -0.182 0.000 1.328 607 V CA 0.557 62.861 62.300 0.006 0.000 1.035 607 V CB 1.653 33.539 31.823 0.105 0.000 1.095 607 V HN 1.740 nan 8.190 nan 0.000 0.442 608 G N 2.515 111.034 108.800 -0.468 0.000 2.393 608 G HA2 0.708 4.640 3.960 -0.047 0.000 0.264 608 G HA3 0.708 4.640 3.960 -0.047 0.000 0.264 608 G C -1.355 172.959 174.900 -0.976 0.000 1.221 608 G CA 0.304 44.963 45.100 -0.735 0.000 0.912 608 G HN 2.042 nan 8.290 nan 0.000 0.483 609 F N -1.161 118.425 119.950 -0.606 0.000 3.031 609 F HA 0.816 5.314 4.527 -0.048 0.000 0.326 609 F C -1.219 174.560 175.800 -0.035 0.000 1.143 609 F CA -0.654 57.181 58.000 -0.274 0.000 0.871 609 F CB 1.180 40.008 39.000 -0.286 0.000 1.377 609 F HN 0.933 nan 8.300 nan 0.000 0.462 610 K N 0.643 121.181 120.400 0.229 0.000 2.615 610 K HA 0.812 5.104 4.320 -0.047 0.000 0.291 610 K C -2.551 174.275 176.600 0.376 0.000 1.017 610 K CA -1.071 55.322 56.287 0.177 0.000 0.882 610 K CB 2.399 34.977 32.500 0.131 0.000 1.522 610 K HN 0.770 nan 8.250 nan 0.000 0.412 611 L N 0.906 122.345 121.223 0.360 0.000 2.381 611 L HA 0.602 4.914 4.340 -0.047 0.000 0.268 611 L C -0.792 176.315 176.870 0.396 0.000 0.997 611 L CA -0.587 54.490 54.840 0.396 0.000 0.818 611 L CB 2.263 44.590 42.059 0.448 0.000 1.310 611 L HN 0.576 nan 8.230 nan 0.000 0.416 612 R N 2.723 123.378 120.500 0.259 0.000 2.621 612 R HA 0.521 4.832 4.340 -0.047 0.000 0.292 612 R C -2.629 173.413 176.300 -0.429 0.000 0.969 612 R CA -1.899 54.226 56.100 0.041 0.000 0.887 612 R CB 1.821 32.202 30.300 0.136 0.000 1.180 612 R HN 0.294 nan 8.270 nan 0.000 0.450 613 P HA -0.050 nan 4.420 nan 0.000 0.266 613 P C -0.605 176.470 177.300 -0.376 0.000 1.195 613 P CA 0.174 62.603 63.100 -1.117 0.000 0.768 613 P CB 0.797 32.142 31.700 -0.592 0.000 0.838 614 E N 1.832 121.886 120.200 -0.243 0.000 3.374 614 E HA 0.429 4.750 4.350 -0.047 0.000 0.223 614 E C 0.623 177.226 176.600 0.004 0.000 1.210 614 E CA -0.422 55.940 56.400 -0.064 0.000 0.987 614 E CB -0.793 28.888 29.700 -0.031 0.000 1.322 614 E HN 0.682 nan 8.360 nan 0.000 0.404 615 G N 2.532 111.347 108.800 0.025 0.000 2.149 615 G HA2 -0.340 3.591 3.960 -0.047 0.000 0.235 615 G HA3 -0.340 3.591 3.960 -0.047 0.000 0.235 615 G C 0.431 175.361 174.900 0.050 0.000 1.018 615 G CA 0.219 45.344 45.100 0.041 0.000 0.728 615 G HN 0.482 nan 8.290 nan 0.000 0.508 616 F N 0.354 120.212 119.950 -0.155 0.000 2.118 616 F HA 0.466 4.965 4.527 -0.047 0.000 0.293 616 F C 1.447 177.031 175.800 -0.360 0.000 1.102 616 F CA 0.614 58.435 58.000 -0.299 0.000 1.247 616 F CB -0.047 38.662 39.000 -0.484 0.000 1.017 616 F HN 0.124 nan 8.300 nan 0.000 0.475 617 F N 0.611 120.584 119.950 0.037 0.000 2.368 617 F HA 0.194 4.693 4.527 -0.048 0.000 0.315 617 F C 1.480 177.243 175.800 -0.061 0.000 1.145 617 F CA -0.614 57.350 58.000 -0.059 0.000 1.095 617 F CB 0.186 39.163 39.000 -0.039 0.000 1.286 617 F HN -0.211 nan 8.300 nan 0.000 0.530 618 D N -0.040 120.450 120.400 0.149 0.000 2.349 618 D HA 0.070 4.682 4.640 -0.047 0.000 0.215 618 D C 0.341 176.673 176.300 0.054 0.000 1.016 618 D CA 0.553 54.590 54.000 0.061 0.000 0.870 618 D CB 0.257 41.075 40.800 0.031 0.000 0.917 618 D HN 0.511 nan 8.370 nan 0.000 0.524 619 R N -2.064 118.480 120.500 0.074 0.000 2.832 619 R HA 0.193 4.504 4.340 -0.047 0.000 0.283 619 R C -0.773 175.519 176.300 -0.015 0.000 0.998 619 R CA -0.747 55.366 56.100 0.022 0.000 0.843 619 R CB 0.331 30.631 30.300 -0.000 0.000 1.332 619 R HN -0.164 nan 8.270 nan 0.000 0.490 620 S N 1.049 116.717 115.700 -0.053 0.000 2.563 620 S HA 0.089 4.531 4.470 -0.047 0.000 0.294 620 S C -1.243 173.235 174.600 -0.203 0.000 1.279 620 S CA -0.753 57.379 58.200 -0.113 0.000 1.069 620 S CB 0.461 63.620 63.200 -0.069 0.000 0.828 620 S HN 0.510 nan 8.310 nan 0.000 0.497 621 P HA 0.084 nan 4.420 nan 0.000 0.249 621 P C 0.631 177.797 177.300 -0.224 0.000 1.229 621 P CA 0.301 63.081 63.100 -0.534 0.000 0.788 621 P CB -0.185 30.683 31.700 -1.386 0.000 1.072 622 V N -3.984 115.852 119.914 -0.130 0.000 3.043 622 V HA 0.229 4.320 4.120 -0.047 0.000 0.357 622 V C 1.587 177.694 176.094 0.022 0.000 1.372 622 V CA -0.052 62.230 62.300 -0.029 0.000 1.214 622 V CB -0.956 30.875 31.823 0.014 0.000 1.224 622 V HN -0.127 nan 8.190 nan 0.000 0.507 623 L N 1.189 122.415 121.223 0.005 0.000 2.395 623 L HA 0.050 4.362 4.340 -0.047 0.000 0.218 623 L C 2.031 178.934 176.870 0.055 0.000 1.130 623 L CA 1.263 56.129 54.840 0.043 0.000 0.826 623 L CB -0.298 41.763 42.059 0.003 0.000 0.941 623 L HN 0.535 nan 8.230 nan 0.000 0.451 624 D N -0.960 119.454 120.400 0.024 0.000 2.339 624 D HA -0.002 4.609 4.640 -0.047 0.000 0.217 624 D C 0.673 176.981 176.300 0.012 0.000 1.050 624 D CA -0.011 53.999 54.000 0.017 0.000 0.856 624 D CB -0.284 40.514 40.800 -0.002 0.000 0.922 624 D HN -0.018 nan 8.370 nan 0.000 0.518 625 V N 3.291 123.217 119.914 0.020 0.000 2.529 625 V HA 0.153 4.244 4.120 -0.047 0.000 0.292 625 V C -1.509 174.586 176.094 0.002 0.000 1.028 625 V CA -1.006 61.296 62.300 0.003 0.000 1.074 625 V CB 0.622 32.451 31.823 0.010 0.000 0.958 625 V HN 0.192 nan 8.190 nan 0.000 0.481 626 P HA 0.193 nan 4.420 nan 0.000 0.274 626 P C 0.316 177.591 177.300 -0.042 0.000 1.246 626 P CA -0.312 62.778 63.100 -0.015 0.000 0.795 626 P CB 1.211 32.903 31.700 -0.014 0.000 1.006 627 A N 0.758 123.549 122.820 -0.048 0.000 2.067 627 A HA -0.030 4.261 4.320 -0.047 0.000 0.217 627 A C 0.795 178.346 177.584 -0.055 0.000 1.156 627 A CA 0.657 52.646 52.037 -0.081 0.000 0.683 627 A CB -0.894 18.066 19.000 -0.067 0.000 0.808 627 A HN 0.704 nan 8.150 nan 0.000 0.455 628 N N 0.000 118.681 118.700 -0.031 0.000 1.763 628 N HA 0.000 4.712 4.740 -0.047 0.000 0.220 628 N CA 0.000 53.039 53.050 -0.018 0.000 0.885 628 N CB 0.000 38.480 38.487 -0.012 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667