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 2deu_1_A DATA FIRST_RESID 5 DATA SEQUENCE AKKVIVGMSG GVDSSVSAWL LQQQGYQVEG LFMKNWEEDD GEEYCTAAAD DATA SEQUENCE LADAQAVCDK LGIELHTVNF AAEYWDNVFE LFLAEYKAGR TPNPDILCNK DATA SEQUENCE EIKFKAFLEF AAEDLGADYI ATGHYVRRAD VDGKSRLLRG LDSNKDQSYF DATA SEQUENCE LYTLSHEQIA QSLFPVGELE KPQVRKIAED LGLVTAKKKD STGICFIGER DATA SEQUENCE KFREFLGRYL PAQPGKIITV DGDEIGEHQG LMYHTLGQRK GLGIGGTKEG DATA SEQUENCE TEEPWYVVDK DVENNILVVA QGHEHPRLMS VGLIAQQLHW VDREPFTGTM DATA SEQUENCE RCTVKTRYRQ TDIPCTVKAL DDDRIEVIFD EPVAAVTPGQ SAVFYNGEVC DATA SEQUENCE LGGGIIEQRL PLPV 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 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.516 177.584 -0.114 0.000 1.274 5 A CA 0.000 51.946 52.037 -0.151 0.000 0.836 5 A CB 0.000 18.950 19.000 -0.084 0.000 0.831 6 K N 0.341 120.653 120.400 -0.147 0.000 2.149 6 K HA 0.339 4.660 4.320 0.001 0.000 0.245 6 K C 0.200 176.827 176.600 0.045 0.000 1.024 6 K CA -0.267 55.979 56.287 -0.068 0.000 0.899 6 K CB 0.571 33.017 32.500 -0.091 0.000 1.038 6 K HN 0.317 nan 8.250 nan 0.000 0.496 7 K N 0.842 121.263 120.400 0.036 0.000 2.205 7 K HA 0.214 4.534 4.320 0.001 0.000 0.279 7 K C -1.400 175.293 176.600 0.155 0.000 1.027 7 K CA -0.354 55.980 56.287 0.079 0.000 0.932 7 K CB 1.004 33.517 32.500 0.021 0.000 1.032 7 K HN 0.278 nan 8.250 nan 0.000 0.466 8 V N 6.246 126.268 119.914 0.180 0.000 2.447 8 V HA 0.399 4.520 4.120 0.001 0.000 0.292 8 V C -0.546 175.626 176.094 0.130 0.000 1.021 8 V CA -0.725 61.683 62.300 0.180 0.000 0.850 8 V CB 1.229 33.159 31.823 0.179 0.000 1.005 8 V HN 0.669 nan 8.190 nan 0.000 0.426 9 I N 5.755 126.389 120.570 0.106 0.000 2.306 9 I HA 0.402 4.572 4.170 0.001 0.000 0.288 9 I C 0.089 176.335 176.117 0.216 0.000 1.036 9 I CA -0.805 60.590 61.300 0.158 0.000 1.221 9 I CB 1.639 39.719 38.000 0.133 0.000 1.385 9 I HN 0.533 nan 8.210 nan 0.000 0.472 10 V N 2.709 122.760 119.914 0.227 0.000 2.509 10 V HA 0.628 4.748 4.120 0.001 0.000 0.284 10 V C 0.777 177.033 176.094 0.270 0.000 1.047 10 V CA -0.587 61.851 62.300 0.230 0.000 0.952 10 V CB 1.105 33.014 31.823 0.144 0.000 0.988 10 V HN 0.817 nan 8.190 nan 0.000 0.469 11 G N 6.284 115.228 108.800 0.240 0.000 2.494 11 G HA2 0.367 4.327 3.960 0.001 0.000 0.297 11 G HA3 0.367 4.327 3.960 0.001 0.000 0.297 11 G C 0.099 175.012 174.900 0.021 0.000 0.971 11 G CA -0.610 44.493 45.100 0.005 0.000 1.378 11 G HN 0.616 nan 8.290 nan 0.000 0.456 12 M N 2.791 122.429 119.600 0.064 0.000 2.184 12 M HA 0.114 4.594 4.480 0.001 0.000 0.351 12 M C 1.319 177.709 176.300 0.150 0.000 1.395 12 M CA -0.043 55.322 55.300 0.108 0.000 1.117 12 M CB 1.107 33.785 32.600 0.129 0.000 1.708 12 M HN 0.583 nan 8.290 nan 0.000 0.468 13 S N 0.857 116.623 115.700 0.111 0.000 2.526 13 S HA 0.297 4.767 4.470 0.001 0.000 0.220 13 S C 1.171 175.869 174.600 0.163 0.000 1.017 13 S CA 0.348 58.610 58.200 0.105 0.000 0.930 13 S CB 0.258 63.459 63.200 0.001 0.000 0.856 13 S HN 1.052 nan 8.310 nan 0.000 0.497 14 G N 0.483 109.346 108.800 0.106 0.000 2.136 14 G HA2 -0.063 3.897 3.960 0.001 0.000 0.242 14 G HA3 -0.063 3.897 3.960 0.001 0.000 0.242 14 G C 0.360 175.276 174.900 0.027 0.000 0.989 14 G CA -0.147 44.981 45.100 0.046 0.000 0.682 14 G HN 1.132 nan 8.290 nan 0.000 0.522 15 G N -1.222 107.598 108.800 0.034 0.000 2.412 15 G HA2 0.623 4.583 3.960 0.001 0.000 0.318 15 G HA3 0.623 4.583 3.960 0.001 0.000 0.318 15 G C 1.136 176.048 174.900 0.021 0.000 1.146 15 G CA 0.213 45.325 45.100 0.019 0.000 0.882 15 G HN 0.707 nan 8.290 nan 0.000 0.501 16 V N 1.770 121.691 119.914 0.011 0.000 2.282 16 V HA -0.215 3.905 4.120 0.001 0.000 0.249 16 V C 2.366 178.480 176.094 0.032 0.000 1.057 16 V CA 2.564 64.871 62.300 0.011 0.000 1.032 16 V CB -0.882 30.943 31.823 0.004 0.000 0.645 16 V HN 0.748 nan 8.190 nan 0.000 0.447 17 D N 0.551 120.979 120.400 0.046 0.000 2.240 17 D HA -0.183 4.457 4.640 0.001 0.000 0.204 17 D C 2.298 178.647 176.300 0.081 0.000 1.018 17 D CA 2.019 56.064 54.000 0.074 0.000 0.887 17 D CB -0.616 40.235 40.800 0.086 0.000 1.087 17 D HN 0.336 nan 8.370 nan 0.000 0.464 18 S N 0.347 116.098 115.700 0.083 0.000 2.445 18 S HA -0.347 4.123 4.470 0.001 0.000 0.293 18 S C 2.098 176.756 174.600 0.097 0.000 1.163 18 S CA 2.085 60.340 58.200 0.093 0.000 1.287 18 S CB -1.081 62.168 63.200 0.081 0.000 1.234 18 S HN 0.253 nan 8.310 nan 0.000 0.446 19 S N 1.272 117.020 115.700 0.079 0.000 2.434 19 S HA -0.209 4.262 4.470 0.001 0.000 0.240 19 S C 2.006 176.681 174.600 0.125 0.000 1.052 19 S CA 1.755 60.004 58.200 0.082 0.000 1.198 19 S CB -1.101 62.122 63.200 0.038 0.000 1.124 19 S HN 0.351 nan 8.310 nan 0.000 0.426 20 V N 1.764 121.735 119.914 0.096 0.000 2.277 20 V HA -0.256 3.864 4.120 0.001 0.000 0.253 20 V C 2.703 178.946 176.094 0.247 0.000 1.067 20 V CA 2.236 64.624 62.300 0.147 0.000 1.047 20 V CB -1.161 30.714 31.823 0.086 0.000 0.649 20 V HN 0.680 nan 8.190 nan 0.000 0.447 21 S N -0.448 115.348 115.700 0.161 0.000 2.387 21 S HA -0.244 4.226 4.470 0.001 0.000 0.230 21 S C 1.999 176.670 174.600 0.118 0.000 1.035 21 S CA 1.968 60.247 58.200 0.131 0.000 1.014 21 S CB -0.294 62.972 63.200 0.109 0.000 0.836 21 S HN 0.669 nan 8.310 nan 0.000 0.466 22 A N 0.317 123.222 122.820 0.142 0.000 1.843 22 A HA 0.007 4.327 4.320 0.001 0.000 0.213 22 A C 1.879 179.539 177.584 0.127 0.000 1.202 22 A CA 1.286 53.391 52.037 0.114 0.000 0.607 22 A CB -1.607 17.467 19.000 0.124 0.000 0.847 22 A HN 0.852 nan 8.150 nan 0.000 0.445 23 W N 0.676 121.987 121.300 0.017 0.000 2.321 23 W HA -0.213 4.447 4.660 0.000 0.000 0.285 23 W C 1.453 177.981 176.519 0.016 0.000 1.213 23 W CA 1.963 59.319 57.345 0.018 0.000 1.205 23 W CB -0.209 29.261 29.460 0.016 0.000 1.134 23 W HN 0.269 nan 8.180 nan 0.000 0.549 24 L N -0.192 121.056 121.223 0.042 0.000 2.179 24 L HA -0.147 4.193 4.340 0.001 0.000 0.208 24 L C 2.401 179.132 176.870 -0.231 0.000 1.096 24 L CA 0.816 55.553 54.840 -0.171 0.000 0.779 24 L CB -0.529 41.568 42.059 0.062 0.000 0.922 24 L HN 0.059 nan 8.230 nan 0.000 0.443 25 L N -1.321 119.803 121.223 -0.164 0.000 2.049 25 L HA -0.160 4.180 4.340 0.001 0.000 0.203 25 L C 2.568 179.377 176.870 -0.101 0.000 1.074 25 L CA 0.913 55.636 54.840 -0.196 0.000 0.749 25 L CB -0.586 41.328 42.059 -0.243 0.000 0.907 25 L HN 0.257 nan 8.230 nan 0.000 0.439 26 Q N -0.098 119.635 119.800 -0.112 0.000 2.065 26 Q HA -0.322 4.019 4.340 0.001 0.000 0.213 26 Q C 2.377 178.269 176.000 -0.180 0.000 1.012 26 Q CA 2.174 57.915 55.803 -0.104 0.000 0.876 26 Q CB -0.007 28.660 28.738 -0.119 0.000 0.954 26 Q HN 0.422 nan 8.270 nan 0.000 0.413 27 Q N 0.161 119.718 119.800 -0.406 0.000 2.020 27 Q HA -0.217 4.123 4.340 0.001 0.000 0.202 27 Q C 1.815 177.703 176.000 -0.187 0.000 0.982 27 Q CA 1.548 57.109 55.803 -0.402 0.000 0.838 27 Q CB -0.482 27.815 28.738 -0.735 0.000 0.899 27 Q HN 0.540 nan 8.270 nan 0.000 0.423 28 Q N -0.490 119.228 119.800 -0.136 0.000 2.585 28 Q HA -0.164 4.177 4.340 0.001 0.000 0.219 28 Q C 0.591 176.678 176.000 0.146 0.000 0.984 28 Q CA 0.900 56.718 55.803 0.026 0.000 0.915 28 Q CB -0.031 28.740 28.738 0.054 0.000 0.967 28 Q HN 0.522 nan 8.270 nan 0.000 0.530 29 G N -0.909 107.944 108.800 0.088 0.000 3.700 29 G HA2 -0.308 3.653 3.960 0.001 0.000 0.211 29 G HA3 -0.308 3.653 3.960 0.001 0.000 0.211 29 G C -0.613 174.351 174.900 0.107 0.000 1.777 29 G CA -0.261 44.872 45.100 0.056 0.000 1.460 29 G HN 0.309 nan 8.290 nan 0.000 0.615 30 Y N 2.834 123.123 120.300 -0.017 0.000 3.351 30 Y HA 0.005 4.555 4.550 0.001 0.000 0.370 30 Y C 1.466 177.370 175.900 0.007 0.000 1.168 30 Y CA 1.471 59.577 58.100 0.009 0.000 1.515 30 Y CB 0.053 38.529 38.460 0.027 0.000 1.060 30 Y HN 0.558 nan 8.280 nan 0.000 0.621 31 Q N 1.413 121.312 119.800 0.164 0.000 2.288 31 Q HA 0.429 4.769 4.340 0.001 0.000 0.258 31 Q C -1.006 175.079 176.000 0.141 0.000 0.957 31 Q CA -0.425 55.442 55.803 0.106 0.000 0.919 31 Q CB 1.160 29.939 28.738 0.069 0.000 1.185 31 Q HN 0.386 nan 8.270 nan 0.000 0.408 32 V N 3.716 123.695 119.914 0.107 0.000 2.376 32 V HA 0.288 4.409 4.120 0.001 0.000 0.287 32 V C -0.414 175.737 176.094 0.095 0.000 1.015 32 V CA -0.598 61.764 62.300 0.104 0.000 0.834 32 V CB 1.471 33.343 31.823 0.082 0.000 1.001 32 V HN 0.741 nan 8.190 nan 0.000 0.428 33 E N 2.579 122.850 120.200 0.119 0.000 2.256 33 E HA 0.765 5.115 4.350 0.001 0.000 0.267 33 E C -0.100 176.601 176.600 0.169 0.000 0.892 33 E CA -0.741 55.737 56.400 0.130 0.000 0.775 33 E CB 2.835 32.648 29.700 0.187 0.000 1.207 33 E HN 0.763 nan 8.360 nan 0.000 0.420 34 G N 1.319 110.211 108.800 0.154 0.000 2.519 34 G HA2 0.620 4.581 3.960 0.001 0.000 0.307 34 G HA3 0.620 4.581 3.960 0.001 0.000 0.307 34 G C -1.491 173.550 174.900 0.235 0.000 1.266 34 G CA -0.558 44.656 45.100 0.190 0.000 0.970 34 G HN 0.383 nan 8.290 nan 0.000 0.481 35 L N 1.065 122.450 121.223 0.270 0.000 2.362 35 L HA 0.840 5.180 4.340 0.001 0.000 0.271 35 L C -1.631 175.301 176.870 0.103 0.000 1.002 35 L CA -1.209 53.784 54.840 0.256 0.000 0.818 35 L CB 2.201 44.484 42.059 0.373 0.000 1.298 35 L HN 0.498 nan 8.230 nan 0.000 0.420 36 F N 5.380 125.270 119.950 -0.100 0.000 2.445 36 F HA 0.517 5.044 4.527 0.001 0.000 0.348 36 F C -0.550 175.076 175.800 -0.290 0.000 1.125 36 F CA -0.752 57.131 58.000 -0.194 0.000 0.983 36 F CB 1.247 40.166 39.000 -0.135 0.000 1.198 36 F HN 0.363 nan 8.300 nan 0.000 0.436 37 M N 5.228 124.290 119.600 -0.896 0.000 2.217 37 M HA 0.220 4.700 4.480 0.001 0.000 0.354 37 M C -0.509 175.196 176.300 -0.992 0.000 1.225 37 M CA -0.187 54.593 55.300 -0.867 0.000 1.137 37 M CB 1.013 33.114 32.600 -0.831 0.000 1.576 37 M HN 0.421 nan 8.290 nan 0.000 0.461 38 K N 2.705 122.783 120.400 -0.537 0.000 2.527 38 K HA 0.312 4.632 4.320 0.001 0.000 0.240 38 K C -0.750 175.725 176.600 -0.208 0.000 0.989 38 K CA -0.027 56.068 56.287 -0.320 0.000 0.985 38 K CB 0.232 32.699 32.500 -0.054 0.000 1.221 38 K HN 0.635 nan 8.250 nan 0.000 0.458 39 N N 2.756 121.332 118.700 -0.207 0.000 2.200 39 N HA 0.096 4.837 4.740 0.001 0.000 0.224 39 N C -1.287 174.361 175.510 0.229 0.000 1.179 39 N CA -0.418 52.671 53.050 0.065 0.000 0.877 39 N CB 0.532 39.162 38.487 0.238 0.000 1.072 39 N HN 0.408 nan 8.380 nan 0.000 0.519 40 W N 1.784 123.051 121.300 -0.055 0.000 2.968 40 W HA 0.257 4.918 4.660 0.001 0.000 0.337 40 W C -1.208 175.310 176.519 -0.001 0.000 1.060 40 W CA -0.327 57.019 57.345 0.001 0.000 1.240 40 W CB 1.289 30.703 29.460 -0.077 0.000 1.370 40 W HN -0.155 nan 8.180 nan 0.000 0.459 41 E N 3.836 123.732 120.200 -0.506 0.000 1.852 41 E HA 0.047 4.397 4.350 0.001 0.000 0.276 41 E C 0.011 176.437 176.600 -0.290 0.000 1.163 41 E CA 0.048 56.235 56.400 -0.354 0.000 1.117 41 E CB 0.081 29.580 29.700 -0.335 0.000 1.124 41 E HN 0.350 nan 8.360 nan 0.000 0.458 42 E N 0.540 120.754 120.200 0.023 0.000 2.760 42 E HA -0.147 4.203 4.350 0.001 0.000 0.268 42 E C 0.522 177.182 176.600 0.099 0.000 0.935 42 E CA 0.310 56.845 56.400 0.225 0.000 0.960 42 E CB 0.510 30.326 29.700 0.194 0.000 0.931 42 E HN 0.192 nan 8.360 nan 0.000 0.483 43 D N 1.783 122.305 120.400 0.204 0.000 2.144 43 D HA -0.075 4.565 4.640 0.001 0.000 0.207 43 D C 0.139 176.502 176.300 0.106 0.000 0.970 43 D CA 0.758 54.838 54.000 0.134 0.000 0.853 43 D CB 0.342 41.258 40.800 0.192 0.000 1.007 43 D HN 0.440 nan 8.370 nan 0.000 0.469 44 D N -1.570 118.915 120.400 0.141 0.000 2.398 44 D HA 0.235 4.875 4.640 0.001 0.000 0.264 44 D C 1.123 177.500 176.300 0.129 0.000 1.263 44 D CA 0.398 54.469 54.000 0.119 0.000 1.037 44 D CB 0.993 41.867 40.800 0.122 0.000 1.101 44 D HN 0.287 nan 8.370 nan 0.000 0.551 45 G N -0.726 108.150 108.800 0.127 0.000 2.828 45 G HA2 -0.110 3.850 3.960 0.001 0.000 0.201 45 G HA3 -0.110 3.850 3.960 0.001 0.000 0.201 45 G C 1.125 176.110 174.900 0.142 0.000 1.102 45 G CA 0.119 45.318 45.100 0.164 0.000 0.815 45 G HN 0.537 nan 8.290 nan 0.000 0.590 46 E N 0.528 120.785 120.200 0.094 0.000 2.219 46 E HA -0.219 4.131 4.350 0.001 0.000 0.198 46 E C 2.021 178.666 176.600 0.076 0.000 0.998 46 E CA 1.509 57.949 56.400 0.066 0.000 0.818 46 E CB -0.034 29.697 29.700 0.051 0.000 0.741 46 E HN 0.664 nan 8.360 nan 0.000 0.477 47 E N -0.637 119.630 120.200 0.112 0.000 2.086 47 E HA -0.147 4.203 4.350 0.001 0.000 0.190 47 E C 1.751 178.465 176.600 0.189 0.000 0.975 47 E CA 0.282 56.753 56.400 0.119 0.000 0.813 47 E CB -0.289 29.489 29.700 0.130 0.000 0.768 47 E HN 0.450 nan 8.360 nan 0.000 0.457 48 Y N 1.332 121.664 120.300 0.053 0.000 2.059 48 Y HA -0.437 4.113 4.550 0.001 0.000 0.244 48 Y C 2.631 178.548 175.900 0.028 0.000 1.072 48 Y CA 1.709 59.838 58.100 0.048 0.000 1.055 48 Y CB -0.536 37.948 38.460 0.040 0.000 0.971 48 Y HN 0.258 nan 8.280 nan 0.000 0.487 49 C N 0.473 119.715 119.300 -0.097 0.000 2.320 49 C HA -0.381 4.080 4.460 0.001 0.000 0.266 49 C C 2.534 177.469 174.990 -0.092 0.000 1.119 49 C CA 1.876 60.756 59.018 -0.230 0.000 1.813 49 C CB -1.948 25.710 27.740 -0.137 0.000 2.057 49 C HN 0.759 nan 8.230 nan 0.000 0.433 50 T N 0.836 115.383 114.554 -0.012 0.000 2.680 50 T HA -0.224 4.126 4.350 0.001 0.000 0.268 50 T C 1.852 176.559 174.700 0.012 0.000 1.033 50 T CA 2.429 64.528 62.100 -0.002 0.000 1.152 50 T CB -0.423 68.452 68.868 0.012 0.000 0.859 50 T HN 0.806 nan 8.240 nan 0.000 0.452 51 A N 0.000 122.860 122.820 0.066 0.000 2.220 51 A HA 0.671 4.992 4.320 0.001 0.000 0.211 51 A C 2.374 180.033 177.584 0.125 0.000 1.176 51 A CA 0.929 53.029 52.037 0.105 0.000 0.834 51 A CB -0.395 18.687 19.000 0.137 0.000 0.868 51 A HN 0.466 nan 8.150 nan 0.000 0.488 52 A N 0.271 123.113 122.820 0.037 0.000 1.855 52 A HA 0.296 4.616 4.320 0.001 0.000 0.213 52 A C 2.404 179.911 177.584 -0.129 0.000 1.195 52 A CA 1.560 53.553 52.037 -0.074 0.000 0.610 52 A CB -1.012 17.689 19.000 -0.499 0.000 0.837 52 A HN 0.975 nan 8.150 nan 0.000 0.444 53 A N -0.355 122.381 122.820 -0.141 0.000 2.070 53 A HA -0.151 4.169 4.320 0.001 0.000 0.220 53 A C 1.635 179.151 177.584 -0.114 0.000 1.159 53 A CA 1.913 53.871 52.037 -0.131 0.000 0.656 53 A CB -0.735 18.199 19.000 -0.110 0.000 0.800 53 A HN 0.513 nan 8.150 nan 0.000 0.453 54 D N -1.047 119.313 120.400 -0.065 0.000 2.311 54 D HA -0.115 4.525 4.640 0.001 0.000 0.212 54 D C 1.621 177.849 176.300 -0.120 0.000 0.972 54 D CA 0.843 54.826 54.000 -0.028 0.000 0.887 54 D CB -0.013 40.826 40.800 0.064 0.000 0.915 54 D HN 0.387 nan 8.370 nan 0.000 0.497 55 L N -0.015 121.027 121.223 -0.302 0.000 2.084 55 L HA 0.202 4.542 4.340 0.001 0.000 0.202 55 L C 2.046 178.656 176.870 -0.433 0.000 1.074 55 L CA 1.566 55.964 54.840 -0.737 0.000 0.757 55 L CB -0.933 40.624 42.059 -0.836 0.000 0.918 55 L HN -0.023 nan 8.230 nan 0.000 0.444 56 A N -0.592 122.064 122.820 -0.274 0.000 2.032 56 A HA -0.252 4.068 4.320 0.001 0.000 0.221 56 A C 1.842 179.336 177.584 -0.149 0.000 1.165 56 A CA 2.114 54.038 52.037 -0.188 0.000 0.645 56 A CB -0.900 18.014 19.000 -0.143 0.000 0.807 56 A HN 0.577 nan 8.150 nan 0.000 0.453 57 D N -0.284 120.032 120.400 -0.140 0.000 2.123 57 D HA 0.104 4.744 4.640 0.001 0.000 0.200 57 D C 2.298 178.543 176.300 -0.092 0.000 0.976 57 D CA 1.354 55.297 54.000 -0.093 0.000 0.831 57 D CB -0.347 40.412 40.800 -0.068 0.000 0.974 57 D HN 0.401 nan 8.370 nan 0.000 0.469 58 A N 0.627 123.366 122.820 -0.135 0.000 1.851 58 A HA -0.292 4.029 4.320 0.001 0.000 0.216 58 A C 2.154 179.676 177.584 -0.103 0.000 1.195 58 A CA 2.140 54.113 52.037 -0.107 0.000 0.622 58 A CB -0.982 17.903 19.000 -0.193 0.000 0.831 58 A HN 0.211 nan 8.150 nan 0.000 0.444 59 Q N -0.598 119.103 119.800 -0.165 0.000 1.956 59 Q HA -0.135 4.206 4.340 0.001 0.000 0.208 59 Q C 2.081 178.036 176.000 -0.076 0.000 0.998 59 Q CA 2.471 58.202 55.803 -0.121 0.000 0.855 59 Q CB -0.580 28.070 28.738 -0.147 0.000 0.928 59 Q HN 0.606 nan 8.270 nan 0.000 0.418 60 A N -0.589 122.184 122.820 -0.079 0.000 2.214 60 A HA -0.195 4.126 4.320 0.001 0.000 0.221 60 A C 2.008 179.570 177.584 -0.036 0.000 1.167 60 A CA 1.744 53.748 52.037 -0.056 0.000 0.670 60 A CB -0.571 18.393 19.000 -0.060 0.000 0.797 60 A HN 0.335 nan 8.150 nan 0.000 0.477 61 V N -2.349 117.547 119.914 -0.030 0.000 2.795 61 V HA -0.147 3.973 4.120 0.001 0.000 0.243 61 V C 2.373 178.475 176.094 0.013 0.000 1.069 61 V CA 1.364 63.660 62.300 -0.007 0.000 1.089 61 V CB -0.417 31.407 31.823 0.001 0.000 0.756 61 V HN 0.677 nan 8.190 nan 0.000 0.471 62 C N 0.760 120.062 119.300 0.004 0.000 2.435 62 C HA -0.118 4.343 4.460 0.001 0.000 0.279 62 C C 2.385 177.381 174.990 0.009 0.000 1.321 62 C CA 1.068 60.094 59.018 0.015 0.000 1.752 62 C CB -0.922 26.816 27.740 -0.004 0.000 1.959 62 C HN 0.638 nan 8.230 nan 0.000 0.500 63 D N 0.590 120.986 120.400 -0.007 0.000 2.103 63 D HA -0.101 4.540 4.640 0.001 0.000 0.199 63 D C 2.144 178.448 176.300 0.007 0.000 0.978 63 D CA 0.908 54.903 54.000 -0.007 0.000 0.829 63 D CB -0.308 40.479 40.800 -0.022 0.000 0.981 63 D HN 0.364 nan 8.370 nan 0.000 0.464 64 K N -0.173 120.231 120.400 0.006 0.000 2.360 64 K HA -0.014 4.306 4.320 0.001 0.000 0.201 64 K C 1.432 178.058 176.600 0.043 0.000 1.046 64 K CA 0.545 56.840 56.287 0.014 0.000 0.945 64 K CB 0.099 32.598 32.500 -0.001 0.000 0.750 64 K HN 0.149 nan 8.250 nan 0.000 0.464 65 L N -1.537 119.721 121.223 0.058 0.000 2.470 65 L HA 0.188 4.529 4.340 0.001 0.000 0.219 65 L C 0.710 177.626 176.870 0.076 0.000 1.071 65 L CA 0.311 55.212 54.840 0.102 0.000 0.850 65 L CB 0.642 42.776 42.059 0.125 0.000 1.040 65 L HN 0.273 nan 8.230 nan 0.000 0.475 66 G N 1.572 110.400 108.800 0.046 0.000 2.638 66 G HA2 -0.192 3.768 3.960 0.001 0.000 0.269 66 G HA3 -0.192 3.768 3.960 0.001 0.000 0.269 66 G C -0.492 174.425 174.900 0.028 0.000 1.141 66 G CA -0.313 44.806 45.100 0.031 0.000 1.081 66 G HN 0.171 nan 8.290 nan 0.000 0.527 67 I N -0.683 119.897 120.570 0.018 0.000 2.802 67 I HA 0.412 4.582 4.170 0.001 0.000 0.298 67 I C 0.159 176.262 176.117 -0.023 0.000 1.176 67 I CA -1.083 60.224 61.300 0.013 0.000 1.025 67 I CB 2.314 40.335 38.000 0.035 0.000 1.243 67 I HN 0.319 nan 8.210 nan 0.000 0.424 68 E N 4.408 124.576 120.200 -0.053 0.000 2.313 68 E HA 0.348 4.698 4.350 0.001 0.000 0.276 68 E C -1.552 174.929 176.600 -0.200 0.000 1.031 68 E CA -0.640 55.675 56.400 -0.141 0.000 0.857 68 E CB 1.419 31.001 29.700 -0.196 0.000 1.040 68 E HN 0.364 nan 8.360 nan 0.000 0.408 69 L N 6.032 127.136 121.223 -0.199 0.000 2.298 69 L HA 0.292 4.633 4.340 0.001 0.000 0.284 69 L C -1.302 175.471 176.870 -0.161 0.000 1.013 69 L CA -0.573 54.186 54.840 -0.135 0.000 0.824 69 L CB 1.085 43.101 42.059 -0.071 0.000 1.221 69 L HN 0.600 nan 8.230 nan 0.000 0.418 70 H N 3.336 122.464 119.070 0.096 0.000 2.489 70 H HA 0.390 4.947 4.556 0.001 0.000 0.322 70 H C -0.374 175.010 175.328 0.094 0.000 1.091 70 H CA -0.401 55.716 56.048 0.115 0.000 1.291 70 H CB 1.187 31.061 29.762 0.187 0.000 1.436 70 H HN 0.563 nan 8.280 nan 0.000 0.480 71 T N 3.156 117.825 114.554 0.192 0.000 2.909 71 T HA 0.474 4.825 4.350 0.001 0.000 0.286 71 T C 0.179 174.859 174.700 -0.033 0.000 1.002 71 T CA -0.529 61.627 62.100 0.094 0.000 1.074 71 T CB 1.122 70.033 68.868 0.072 0.000 0.984 71 T HN 0.248 nan 8.240 nan 0.000 0.495 72 V N 2.086 121.874 119.914 -0.210 0.000 3.178 72 V HA 0.478 4.598 4.120 0.001 0.000 0.302 72 V C -0.762 175.057 176.094 -0.458 0.000 1.262 72 V CA -1.097 60.895 62.300 -0.514 0.000 1.030 72 V CB 2.488 33.680 31.823 -1.052 0.000 1.074 72 V HN 0.952 nan 8.190 nan 0.000 0.438 73 N N 1.558 120.013 118.700 -0.409 0.000 2.690 73 N HA 0.427 5.168 4.740 0.001 0.000 0.255 73 N C -0.153 175.375 175.510 0.030 0.000 1.195 73 N CA -0.312 52.629 53.050 -0.182 0.000 0.790 73 N CB 0.542 38.988 38.487 -0.069 0.000 1.216 73 N HN 0.676 nan 8.380 nan 0.000 0.528 74 F N 1.079 120.994 119.950 -0.058 0.000 2.797 74 F HA 0.144 4.671 4.527 0.001 0.000 0.302 74 F C 2.378 178.256 175.800 0.130 0.000 1.130 74 F CA -0.340 57.678 58.000 0.031 0.000 1.387 74 F CB 0.386 39.419 39.000 0.055 0.000 1.107 74 F HN 0.541 nan 8.300 nan 0.000 0.577 75 A N 1.059 124.045 122.820 0.277 0.000 1.971 75 A HA -0.328 3.992 4.320 0.001 0.000 0.222 75 A C 2.442 180.198 177.584 0.287 0.000 1.182 75 A CA 2.028 54.233 52.037 0.280 0.000 0.649 75 A CB -1.004 18.069 19.000 0.122 0.000 0.818 75 A HN 0.394 nan 8.150 nan 0.000 0.458 76 A N 0.563 123.504 122.820 0.202 0.000 1.859 76 A HA -0.247 4.073 4.320 0.001 0.000 0.217 76 A C 1.929 179.636 177.584 0.204 0.000 1.198 76 A CA 2.013 54.142 52.037 0.153 0.000 0.629 76 A CB -0.605 18.465 19.000 0.116 0.000 0.830 76 A HN 0.713 nan 8.150 nan 0.000 0.446 77 E N -1.389 118.934 120.200 0.205 0.000 2.285 77 E HA -0.182 4.169 4.350 0.001 0.000 0.194 77 E C 1.820 178.559 176.600 0.232 0.000 0.997 77 E CA 1.168 57.668 56.400 0.167 0.000 0.845 77 E CB -0.680 29.052 29.700 0.054 0.000 0.782 77 E HN 0.732 nan 8.360 nan 0.000 0.491 78 Y N 1.912 122.358 120.300 0.243 0.000 2.070 78 Y HA -0.264 4.286 4.550 0.001 0.000 0.280 78 Y C 2.193 178.282 175.900 0.316 0.000 1.148 78 Y CA 1.937 60.199 58.100 0.270 0.000 1.125 78 Y CB -0.606 38.076 38.460 0.369 0.000 0.975 78 Y HN 0.140 nan 8.280 nan 0.000 0.492 79 W N 1.517 122.847 121.300 0.050 0.000 2.333 79 W HA -0.250 4.411 4.660 0.001 0.000 0.316 79 W C 1.922 178.440 176.519 -0.002 0.000 1.215 79 W CA 2.416 59.773 57.345 0.021 0.000 1.278 79 W CB -0.923 28.588 29.460 0.084 0.000 1.154 79 W HN 0.242 nan 8.180 nan 0.000 0.486 80 D N 0.149 120.775 120.400 0.376 0.000 2.160 80 D HA -0.257 4.384 4.640 0.001 0.000 0.189 80 D C 1.419 177.770 176.300 0.086 0.000 1.003 80 D CA 2.227 56.367 54.000 0.234 0.000 0.846 80 D CB -0.578 40.320 40.800 0.164 0.000 0.949 80 D HN 0.113 nan 8.370 nan 0.000 0.446 81 N N -1.632 117.087 118.700 0.031 0.000 2.280 81 N HA 0.125 4.865 4.740 0.001 0.000 0.192 81 N C 0.561 176.019 175.510 -0.087 0.000 1.109 81 N CA -0.023 53.017 53.050 -0.018 0.000 0.855 81 N CB 1.455 39.944 38.487 0.003 0.000 0.974 81 N HN 0.063 nan 8.380 nan 0.000 0.482 82 V N -1.185 118.611 119.914 -0.197 0.000 4.197 82 V HA 0.115 4.235 4.120 0.001 0.000 0.176 82 V C 1.105 176.998 176.094 -0.336 0.000 1.208 82 V CA -0.242 61.884 62.300 -0.289 0.000 1.306 82 V CB -0.607 30.966 31.823 -0.417 0.000 1.585 82 V HN -0.008 nan 8.190 nan 0.000 0.552 83 F N 1.827 121.311 119.950 -0.777 0.000 2.225 83 F HA -0.222 4.305 4.527 0.001 0.000 0.302 83 F C 2.204 177.697 175.800 -0.512 0.000 1.068 83 F CA 2.397 60.030 58.000 -0.611 0.000 1.327 83 F CB -0.000 38.615 39.000 -0.642 0.000 1.043 83 F HN 0.359 nan 8.300 nan 0.000 0.506 84 E N 0.418 120.274 120.200 -0.573 0.000 2.015 84 E HA -0.165 4.185 4.350 0.001 0.000 0.191 84 E C 2.170 178.599 176.600 -0.285 0.000 0.991 84 E CA 1.857 57.980 56.400 -0.461 0.000 0.802 84 E CB -0.506 29.073 29.700 -0.202 0.000 0.759 84 E HN 0.455 nan 8.360 nan 0.000 0.447 85 L N 0.382 121.492 121.223 -0.189 0.000 2.191 85 L HA -0.095 4.245 4.340 0.001 0.000 0.212 85 L C 2.361 179.133 176.870 -0.163 0.000 1.103 85 L CA 0.875 55.632 54.840 -0.138 0.000 0.769 85 L CB -0.798 41.205 42.059 -0.094 0.000 0.908 85 L HN 0.190 nan 8.230 nan 0.000 0.438 86 F N 1.812 121.537 119.950 -0.375 0.000 2.011 86 F HA -0.256 4.272 4.527 0.001 0.000 0.296 86 F C 2.266 177.836 175.800 -0.384 0.000 1.144 86 F CA 1.740 59.494 58.000 -0.409 0.000 1.185 86 F CB -0.562 38.117 39.000 -0.536 0.000 0.961 86 F HN -0.168 nan 8.300 nan 0.000 0.485 87 L N 0.151 121.002 121.223 -0.619 0.000 2.129 87 L HA -0.244 4.097 4.340 0.001 0.000 0.212 87 L C 2.704 179.398 176.870 -0.294 0.000 1.087 87 L CA 0.998 55.523 54.840 -0.526 0.000 0.757 87 L CB -1.444 40.357 42.059 -0.430 0.000 0.896 87 L HN 0.404 nan 8.230 nan 0.000 0.434 88 A N 0.432 123.106 122.820 -0.244 0.000 1.830 88 A HA -0.259 4.061 4.320 0.001 0.000 0.214 88 A C 2.116 179.619 177.584 -0.135 0.000 1.218 88 A CA 1.825 53.774 52.037 -0.148 0.000 0.628 88 A CB -0.818 18.111 19.000 -0.119 0.000 0.860 88 A HN 0.411 nan 8.150 nan 0.000 0.454 89 E N -1.590 118.515 120.200 -0.157 0.000 2.284 89 E HA -0.245 4.106 4.350 0.001 0.000 0.200 89 E C 1.754 178.291 176.600 -0.105 0.000 1.008 89 E CA 1.384 57.704 56.400 -0.134 0.000 0.829 89 E CB -0.295 29.309 29.700 -0.159 0.000 0.744 89 E HN 0.798 nan 8.360 nan 0.000 0.491 90 Y N 0.714 120.856 120.300 -0.264 0.000 2.153 90 Y HA -0.201 4.349 4.550 0.001 0.000 0.289 90 Y C 2.692 178.474 175.900 -0.197 0.000 1.127 90 Y CA 0.919 58.857 58.100 -0.269 0.000 1.131 90 Y CB 0.136 38.327 38.460 -0.448 0.000 0.995 90 Y HN -0.098 nan 8.280 nan 0.000 0.505 91 K N 0.625 121.016 120.400 -0.014 0.000 2.127 91 K HA -0.230 4.091 4.320 0.001 0.000 0.208 91 K C 1.614 178.188 176.600 -0.043 0.000 1.047 91 K CA 1.308 57.559 56.287 -0.059 0.000 0.927 91 K CB -0.252 32.211 32.500 -0.061 0.000 0.716 91 K HN 0.263 nan 8.250 nan 0.000 0.450 92 A N 0.430 123.234 122.820 -0.027 0.000 2.265 92 A HA 0.201 4.521 4.320 0.001 0.000 0.213 92 A C 0.844 178.427 177.584 -0.001 0.000 1.255 92 A CA 0.592 52.618 52.037 -0.019 0.000 0.862 92 A CB -0.813 18.173 19.000 -0.023 0.000 0.852 92 A HN 0.524 nan 8.150 nan 0.000 0.484 93 G N -0.251 108.555 108.800 0.011 0.000 2.350 93 G HA2 -0.248 3.712 3.960 0.001 0.000 0.298 93 G HA3 -0.248 3.712 3.960 0.001 0.000 0.298 93 G C 0.061 175.000 174.900 0.065 0.000 1.037 93 G CA 0.673 45.792 45.100 0.032 0.000 1.074 93 G HN 0.727 nan 8.290 nan 0.000 0.511 94 R N -1.303 119.259 120.500 0.103 0.000 2.855 94 R HA 0.657 4.997 4.340 0.001 0.000 0.266 94 R C -0.781 175.591 176.300 0.122 0.000 1.034 94 R CA -0.807 55.340 56.100 0.079 0.000 0.944 94 R CB 1.485 31.790 30.300 0.009 0.000 1.219 94 R HN 0.127 nan 8.270 nan 0.000 0.474 95 T N 3.968 118.563 114.554 0.069 0.000 2.874 95 T HA 0.320 4.670 4.350 0.001 0.000 0.321 95 T C -2.466 172.167 174.700 -0.112 0.000 1.075 95 T CA -1.278 60.853 62.100 0.051 0.000 0.966 95 T CB 1.268 70.242 68.868 0.177 0.000 1.001 95 T HN 0.289 nan 8.240 nan 0.000 0.476 96 P HA 0.315 nan 4.420 nan 0.000 0.287 96 P C -0.655 176.605 177.300 -0.067 0.000 1.270 96 P CA -0.811 62.146 63.100 -0.239 0.000 0.844 96 P CB 1.070 32.532 31.700 -0.397 0.000 1.068 97 N N 3.201 121.903 118.700 0.004 0.000 3.091 97 N HA 0.138 4.878 4.740 0.001 0.000 0.255 97 N C -1.423 174.129 175.510 0.070 0.000 1.204 97 N CA -2.454 50.631 53.050 0.058 0.000 0.990 97 N CB 0.330 38.822 38.487 0.008 0.000 1.260 97 N HN 0.206 nan 8.380 nan 0.000 0.502 98 P HA -0.218 nan 4.420 nan 0.000 0.214 98 P C 0.667 177.979 177.300 0.019 0.000 1.164 98 P CA 1.448 64.574 63.100 0.044 0.000 0.942 98 P CB 0.374 31.988 31.700 -0.143 0.000 0.791 99 D N -0.576 119.846 120.400 0.037 0.000 2.200 99 D HA -0.207 4.433 4.640 0.001 0.000 0.192 99 D C 1.812 178.177 176.300 0.108 0.000 1.008 99 D CA 0.971 55.018 54.000 0.078 0.000 0.872 99 D CB -1.053 39.884 40.800 0.229 0.000 0.923 99 D HN 0.133 nan 8.370 nan 0.000 0.447 100 I N -0.366 120.241 120.570 0.062 0.000 2.657 100 I HA -0.158 4.013 4.170 0.001 0.000 0.261 100 I C 1.627 177.712 176.117 -0.054 0.000 1.212 100 I CA 1.074 62.366 61.300 -0.014 0.000 1.453 100 I CB 0.091 38.049 38.000 -0.071 0.000 1.092 100 I HN 0.035 nan 8.210 nan 0.000 0.452 101 L N -2.128 119.073 121.223 -0.036 0.000 2.575 101 L HA 0.037 4.378 4.340 0.001 0.000 0.228 101 L C 2.327 179.191 176.870 -0.011 0.000 1.075 101 L CA 0.160 54.967 54.840 -0.055 0.000 0.867 101 L CB -0.295 41.728 42.059 -0.059 0.000 1.097 101 L HN 0.198 nan 8.230 nan 0.000 0.485 102 C N 0.691 119.985 119.300 -0.010 0.000 2.409 102 C HA -0.123 4.337 4.460 0.001 0.000 0.284 102 C C 2.437 177.441 174.990 0.023 0.000 1.354 102 C CA 1.237 60.212 59.018 -0.072 0.000 1.787 102 C CB -0.905 26.698 27.740 -0.230 0.000 1.900 102 C HN 0.565 nan 8.230 nan 0.000 0.520 103 N N 0.002 118.775 118.700 0.120 0.000 2.432 103 N HA -0.010 4.731 4.740 0.001 0.000 0.174 103 N C 1.751 177.424 175.510 0.270 0.000 1.037 103 N CA 0.509 53.747 53.050 0.312 0.000 0.892 103 N CB -0.488 38.200 38.487 0.334 0.000 1.049 103 N HN 0.628 nan 8.380 nan 0.000 0.442 104 K N 1.230 121.672 120.400 0.071 0.000 2.103 104 K HA -0.002 4.318 4.320 0.001 0.000 0.204 104 K C 0.815 177.448 176.600 0.055 0.000 1.052 104 K CA 1.030 57.318 56.287 0.002 0.000 0.945 104 K CB 0.330 32.736 32.500 -0.157 0.000 0.722 104 K HN 0.034 nan 8.250 nan 0.000 0.443 105 E N -0.343 119.891 120.200 0.057 0.000 2.460 105 E HA 0.108 4.458 4.350 0.001 0.000 0.200 105 E C 1.482 178.135 176.600 0.088 0.000 1.011 105 E CA 0.274 56.706 56.400 0.054 0.000 0.912 105 E CB 0.688 30.401 29.700 0.022 0.000 0.953 105 E HN 0.366 nan 8.360 nan 0.000 0.494 106 I N -0.059 120.600 120.570 0.148 0.000 4.222 106 I HA 0.002 4.172 4.170 0.001 0.000 0.256 106 I C 1.474 177.755 176.117 0.274 0.000 0.969 106 I CA -0.379 61.043 61.300 0.204 0.000 2.156 106 I CB 0.006 38.172 38.000 0.276 0.000 1.559 106 I HN -0.233 nan 8.210 nan 0.000 0.467 107 K N 0.869 121.434 120.400 0.276 0.000 2.455 107 K HA -0.170 4.151 4.320 0.001 0.000 0.200 107 K C 0.203 176.698 176.600 -0.175 0.000 1.045 107 K CA 1.833 58.209 56.287 0.148 0.000 0.932 107 K CB -0.134 32.472 32.500 0.177 0.000 0.754 107 K HN 0.234 nan 8.250 nan 0.000 0.486 108 F N -1.034 119.065 119.950 0.247 0.000 2.811 108 F HA 0.266 4.794 4.527 0.001 0.000 0.342 108 F C 0.855 176.732 175.800 0.129 0.000 1.203 108 F CA -0.445 57.666 58.000 0.185 0.000 1.173 108 F CB 0.745 39.827 39.000 0.136 0.000 1.094 108 F HN -0.199 nan 8.300 nan 0.000 0.510 109 K N -0.618 119.915 120.400 0.220 0.000 2.889 109 K HA 0.398 4.718 4.320 0.001 0.000 0.271 109 K C 1.928 178.582 176.600 0.090 0.000 2.413 109 K CA 0.734 57.101 56.287 0.133 0.000 1.326 109 K CB -0.513 32.048 32.500 0.100 0.000 2.681 109 K HN -0.128 nan 8.250 nan 0.000 0.360 110 A N 1.891 124.712 122.820 0.002 0.000 1.894 110 A HA -0.269 4.051 4.320 0.001 0.000 0.220 110 A C 1.919 179.495 177.584 -0.012 0.000 1.237 110 A CA 2.272 54.140 52.037 -0.282 0.000 0.660 110 A CB -1.259 17.435 19.000 -0.511 0.000 0.835 110 A HN 0.520 nan 8.150 nan 0.000 0.461 111 F N -0.429 119.654 119.950 0.222 0.000 1.990 111 F HA -0.155 4.372 4.527 0.001 0.000 0.294 111 F C 2.130 178.108 175.800 0.298 0.000 1.177 111 F CA 1.549 59.835 58.000 0.476 0.000 1.167 111 F CB -0.354 38.786 39.000 0.233 0.000 0.971 111 F HN 0.247 nan 8.300 nan 0.000 0.483 112 L N 1.459 122.696 121.223 0.023 0.000 2.149 112 L HA -0.361 3.979 4.340 0.001 0.000 0.223 112 L C 2.174 179.031 176.870 -0.021 0.000 1.089 112 L CA 2.620 57.378 54.840 -0.135 0.000 0.800 112 L CB -1.334 40.721 42.059 -0.007 0.000 0.897 112 L HN 0.574 nan 8.230 nan 0.000 0.443 113 E N -1.083 119.168 120.200 0.085 0.000 2.005 113 E HA -0.334 4.016 4.350 0.001 0.000 0.198 113 E C 2.121 178.807 176.600 0.142 0.000 1.010 113 E CA 1.650 58.105 56.400 0.092 0.000 0.825 113 E CB -0.612 29.140 29.700 0.088 0.000 0.769 113 E HN 0.488 nan 8.360 nan 0.000 0.456 114 F N 0.906 120.939 119.950 0.137 0.000 2.549 114 F HA -0.157 4.371 4.527 0.001 0.000 0.295 114 F C 1.574 177.418 175.800 0.073 0.000 1.124 114 F CA 0.932 59.049 58.000 0.196 0.000 1.482 114 F CB -0.119 39.190 39.000 0.514 0.000 1.108 114 F HN 0.153 nan 8.300 nan 0.000 0.602 115 A N 0.093 122.904 122.820 -0.015 0.000 1.854 115 A HA 0.113 4.434 4.320 0.001 0.000 0.214 115 A C 2.342 179.798 177.584 -0.213 0.000 1.192 115 A CA 1.394 53.325 52.037 -0.176 0.000 0.611 115 A CB -1.210 17.639 19.000 -0.252 0.000 0.832 115 A HN 0.425 nan 8.150 nan 0.000 0.442 116 A N -0.995 121.731 122.820 -0.156 0.000 2.014 116 A HA 0.133 4.454 4.320 0.001 0.000 0.210 116 A C 1.791 179.287 177.584 -0.146 0.000 1.188 116 A CA 0.925 52.878 52.037 -0.139 0.000 0.731 116 A CB -0.276 18.667 19.000 -0.096 0.000 0.858 116 A HN 0.510 nan 8.150 nan 0.000 0.464 117 E N -0.223 119.899 120.200 -0.129 0.000 2.204 117 E HA -0.170 4.181 4.350 0.001 0.000 0.195 117 E C 0.593 177.084 176.600 -0.182 0.000 0.990 117 E CA 1.470 57.807 56.400 -0.105 0.000 0.821 117 E CB 0.046 29.731 29.700 -0.026 0.000 0.750 117 E HN 0.684 nan 8.360 nan 0.000 0.477 118 D N -1.315 118.864 120.400 -0.369 0.000 3.000 118 D HA 0.095 4.735 4.640 0.001 0.000 0.190 118 D C 1.534 177.564 176.300 -0.450 0.000 1.503 118 D CA -0.270 53.446 54.000 -0.472 0.000 1.496 118 D CB -0.364 39.904 40.800 -0.885 0.000 1.163 118 D HN -0.105 nan 8.370 nan 0.000 0.231 119 L N 1.091 121.924 121.223 -0.651 0.000 2.283 119 L HA -0.022 4.318 4.340 0.001 0.000 0.217 119 L C 0.758 177.489 176.870 -0.232 0.000 1.104 119 L CA 1.116 55.697 54.840 -0.432 0.000 0.772 119 L CB -1.313 40.516 42.059 -0.382 0.000 0.899 119 L HN 0.382 nan 8.230 nan 0.000 0.439 120 G N 0.637 109.306 108.800 -0.219 0.000 2.342 120 G HA2 -0.044 3.916 3.960 0.001 0.000 0.267 120 G HA3 -0.044 3.916 3.960 0.001 0.000 0.267 120 G C -0.035 174.805 174.900 -0.099 0.000 0.922 120 G CA 0.287 45.304 45.100 -0.139 0.000 1.342 120 G HN 0.679 nan 8.290 nan 0.000 0.430 121 A N 1.112 123.872 122.820 -0.100 0.000 2.530 121 A HA 0.901 5.222 4.320 0.001 0.000 0.288 121 A C 0.347 177.874 177.584 -0.095 0.000 1.172 121 A CA 0.147 52.143 52.037 -0.068 0.000 0.733 121 A CB 1.235 20.215 19.000 -0.034 0.000 1.320 121 A HN 0.810 nan 8.150 nan 0.000 0.419 122 D N -0.821 119.512 120.400 -0.111 0.000 2.720 122 D HA 0.267 4.907 4.640 0.001 0.000 0.285 122 D C -1.129 174.981 176.300 -0.317 0.000 1.359 122 D CA 0.289 54.147 54.000 -0.236 0.000 0.818 122 D CB -0.071 40.528 40.800 -0.335 0.000 1.108 122 D HN 0.485 nan 8.370 nan 0.000 0.474 123 Y N 0.006 120.289 120.300 -0.028 0.000 2.226 123 Y HA 0.168 4.718 4.550 0.001 0.000 0.314 123 Y C -1.206 174.652 175.900 -0.070 0.000 1.268 123 Y CA -1.164 56.920 58.100 -0.028 0.000 1.271 123 Y CB 1.198 39.688 38.460 0.050 0.000 1.294 123 Y HN -0.071 nan 8.280 nan 0.000 0.392 124 I N 3.426 124.027 120.570 0.053 0.000 2.499 124 I HA 0.794 4.964 4.170 0.001 0.000 0.296 124 I C -0.565 175.545 176.117 -0.012 0.000 0.992 124 I CA -0.108 61.138 61.300 -0.089 0.000 1.297 124 I CB 1.317 39.144 38.000 -0.289 0.000 1.410 124 I HN 0.573 nan 8.210 nan 0.000 0.507 125 A N 4.739 127.603 122.820 0.072 0.000 2.402 125 A HA 0.671 4.991 4.320 0.001 0.000 0.291 125 A C -0.343 177.374 177.584 0.221 0.000 1.051 125 A CA -0.318 51.799 52.037 0.133 0.000 0.716 125 A CB 0.785 19.815 19.000 0.050 0.000 1.223 125 A HN 0.713 nan 8.150 nan 0.000 0.425 126 T N -0.726 113.996 114.554 0.280 0.000 2.923 126 T HA 0.633 4.983 4.350 0.001 0.000 0.281 126 T C 0.928 175.759 174.700 0.217 0.000 0.995 126 T CA 0.052 62.257 62.100 0.174 0.000 0.985 126 T CB 1.622 70.425 68.868 -0.108 0.000 1.114 126 T HN 1.151 nan 8.240 nan 0.000 0.548 127 G N -1.241 107.697 108.800 0.228 0.000 3.434 127 G HA2 0.157 4.118 3.960 0.001 0.000 0.258 127 G HA3 0.157 4.118 3.960 0.001 0.000 0.258 127 G C 0.267 175.293 174.900 0.210 0.000 1.128 127 G CA -0.434 44.780 45.100 0.189 0.000 0.792 127 G HN 0.875 nan 8.290 nan 0.000 0.539 128 H N 0.097 119.151 119.070 -0.026 0.000 3.145 128 H HA -0.083 4.474 4.556 0.001 0.000 0.288 128 H C -0.530 174.738 175.328 -0.100 0.000 0.969 128 H CA -0.277 55.705 56.048 -0.110 0.000 1.444 128 H CB 0.746 30.351 29.762 -0.262 0.000 1.500 128 H HN 0.261 nan 8.280 nan 0.000 0.552 129 Y N 5.384 125.677 120.300 -0.012 0.000 2.517 129 Y HA 0.216 4.766 4.550 0.000 0.000 0.341 129 Y C -0.344 175.559 175.900 0.005 0.000 1.247 129 Y CA -0.143 57.961 58.100 0.006 0.000 1.774 129 Y CB -0.311 38.156 38.460 0.010 0.000 1.641 129 Y HN 0.332 nan 8.280 nan 0.000 0.457 130 V N 5.406 125.351 119.914 0.053 0.000 3.226 130 V HA 0.657 4.777 4.120 0.001 0.000 0.304 130 V C -1.519 174.626 176.094 0.085 0.000 1.336 130 V CA -0.971 61.379 62.300 0.082 0.000 1.066 130 V CB 2.639 34.447 31.823 -0.025 0.000 1.087 130 V HN 0.576 nan 8.190 nan 0.000 0.451 131 R N 1.125 121.746 120.500 0.202 0.000 2.867 131 R HA 0.698 5.038 4.340 0.001 0.000 0.268 131 R C -1.246 175.252 176.300 0.330 0.000 1.014 131 R CA -0.903 55.354 56.100 0.261 0.000 0.946 131 R CB 2.274 32.661 30.300 0.145 0.000 1.208 131 R HN 0.761 nan 8.270 nan 0.000 0.477 132 R N 0.708 121.350 120.500 0.237 0.000 2.534 132 R HA 0.710 5.050 4.340 0.001 0.000 0.301 132 R C -1.797 174.542 176.300 0.066 0.000 0.961 132 R CA -0.422 55.752 56.100 0.123 0.000 0.871 132 R CB 1.944 32.210 30.300 -0.056 0.000 1.170 132 R HN 0.747 nan 8.270 nan 0.000 0.446 133 A N 4.065 126.928 122.820 0.072 0.000 2.446 133 A HA 0.354 4.674 4.320 0.001 0.000 0.282 133 A C -1.646 175.972 177.584 0.057 0.000 1.102 133 A CA -0.892 51.181 52.037 0.059 0.000 0.737 133 A CB 1.301 20.345 19.000 0.073 0.000 1.212 133 A HN 0.794 nan 8.150 nan 0.000 0.434 134 D N 0.858 121.283 120.400 0.042 0.000 2.256 134 D HA 0.578 5.218 4.640 0.001 0.000 0.250 134 D C -0.169 176.159 176.300 0.047 0.000 1.093 134 D CA 0.343 54.370 54.000 0.045 0.000 0.882 134 D CB 1.684 42.503 40.800 0.032 0.000 1.185 134 D HN 0.274 nan 8.370 nan 0.000 0.437 135 V N 1.448 121.394 119.914 0.053 0.000 3.120 135 V HA 0.175 4.295 4.120 0.001 0.000 0.303 135 V C -0.588 175.536 176.094 0.050 0.000 1.238 135 V CA -1.107 61.222 62.300 0.049 0.000 1.008 135 V CB 2.214 34.069 31.823 0.053 0.000 1.064 135 V HN 0.546 nan 8.190 nan 0.000 0.434 136 D N 2.440 122.865 120.400 0.041 0.000 2.782 136 D HA -0.192 4.449 4.640 0.001 0.000 0.231 136 D C 1.362 177.687 176.300 0.041 0.000 1.163 136 D CA 2.392 56.415 54.000 0.038 0.000 0.680 136 D CB -1.062 39.762 40.800 0.040 0.000 1.062 136 D HN 1.664 nan 8.370 nan 0.000 0.425 137 G N -1.000 107.823 108.800 0.037 0.000 2.205 137 G HA2 -0.389 3.572 3.960 0.001 0.000 0.261 137 G HA3 -0.389 3.572 3.960 0.001 0.000 0.261 137 G C 0.394 175.317 174.900 0.038 0.000 0.980 137 G CA 0.627 45.745 45.100 0.030 0.000 0.632 137 G HN 0.526 nan 8.290 nan 0.000 0.533 138 K N 0.977 121.421 120.400 0.072 0.000 2.307 138 K HA 0.552 4.872 4.320 0.001 0.000 0.263 138 K C 0.155 176.828 176.600 0.122 0.000 0.973 138 K CA -0.177 56.188 56.287 0.130 0.000 0.846 138 K CB 1.347 33.968 32.500 0.202 0.000 1.100 138 K HN 0.119 nan 8.250 nan 0.000 0.438 139 S N 3.638 119.407 115.700 0.114 0.000 2.498 139 S HA 0.131 4.601 4.470 0.001 0.000 0.281 139 S C -0.291 174.394 174.600 0.142 0.000 1.265 139 S CA -0.149 58.111 58.200 0.101 0.000 1.071 139 S CB 0.187 63.430 63.200 0.071 0.000 0.894 139 S HN 0.449 nan 8.310 nan 0.000 0.491 140 R N 2.835 123.402 120.500 0.112 0.000 2.664 140 R HA 0.472 4.812 4.340 0.001 0.000 0.286 140 R C -0.800 175.579 176.300 0.131 0.000 0.967 140 R CA -0.973 55.199 56.100 0.120 0.000 0.933 140 R CB 1.343 31.709 30.300 0.110 0.000 1.146 140 R HN 0.515 nan 8.270 nan 0.000 0.468 141 L N 3.601 124.909 121.223 0.141 0.000 2.357 141 L HA 0.526 4.867 4.340 0.001 0.000 0.273 141 L C -1.442 175.540 176.870 0.186 0.000 1.080 141 L CA -0.454 54.490 54.840 0.173 0.000 0.803 141 L CB 1.150 43.295 42.059 0.145 0.000 1.174 141 L HN 0.492 nan 8.230 nan 0.000 0.443 142 L N 2.330 123.684 121.223 0.217 0.000 2.735 142 L HA 0.474 4.814 4.340 0.001 0.000 0.258 142 L C -0.652 176.358 176.870 0.232 0.000 0.920 142 L CA -1.111 53.869 54.840 0.232 0.000 0.958 142 L CB 1.055 43.229 42.059 0.191 0.000 1.499 142 L HN 0.716 nan 8.230 nan 0.000 0.441 143 R N 0.947 121.604 120.500 0.260 0.000 2.697 143 R HA 0.540 4.881 4.340 0.001 0.000 0.265 143 R C 0.397 176.820 176.300 0.206 0.000 1.009 143 R CA 0.242 56.480 56.100 0.232 0.000 1.099 143 R CB -0.064 30.343 30.300 0.178 0.000 0.965 143 R HN 0.944 nan 8.270 nan 0.000 0.428 144 G N 2.049 111.010 108.800 0.269 0.000 2.535 144 G HA2 0.325 4.285 3.960 0.001 0.000 0.282 144 G HA3 0.325 4.285 3.960 0.001 0.000 0.282 144 G C 0.343 175.431 174.900 0.313 0.000 1.350 144 G CA -1.115 44.151 45.100 0.276 0.000 1.039 144 G HN 0.453 nan 8.290 nan 0.000 0.509 145 L N -1.656 119.757 121.223 0.317 0.000 2.671 145 L HA 0.222 4.563 4.340 0.001 0.000 0.188 145 L C 0.894 177.926 176.870 0.269 0.000 1.165 145 L CA -0.012 54.970 54.840 0.237 0.000 0.926 145 L CB -0.154 42.012 42.059 0.178 0.000 1.664 145 L HN 0.519 nan 8.230 nan 0.000 0.512 146 D N -0.547 119.937 120.400 0.140 0.000 2.811 146 D HA -0.183 4.457 4.640 0.001 0.000 0.231 146 D C 1.249 177.511 176.300 -0.063 0.000 1.157 146 D CA 0.844 54.854 54.000 0.016 0.000 0.716 146 D CB -0.558 40.212 40.800 -0.051 0.000 1.077 146 D HN 0.616 nan 8.370 nan 0.000 0.428 147 S N -0.654 115.041 115.700 -0.007 0.000 2.426 147 S HA -0.470 4.000 4.470 0.001 0.000 0.332 147 S C 1.669 176.219 174.600 -0.083 0.000 1.213 147 S CA 1.963 60.143 58.200 -0.033 0.000 1.436 147 S CB -0.809 62.370 63.200 -0.034 0.000 1.351 147 S HN 0.746 nan 8.310 nan 0.000 0.474 148 N N 1.224 119.868 118.700 -0.093 0.000 2.100 148 N HA -0.231 4.509 4.740 0.001 0.000 0.199 148 N C 0.634 176.059 175.510 -0.142 0.000 1.017 148 N CA 1.605 54.586 53.050 -0.116 0.000 0.890 148 N CB -0.106 38.318 38.487 -0.105 0.000 1.080 148 N HN 0.356 nan 8.380 nan 0.000 0.525 149 K N 1.079 121.367 120.400 -0.187 0.000 2.310 149 K HA 0.027 4.347 4.320 0.001 0.000 0.290 149 K C -1.378 175.017 176.600 -0.341 0.000 1.077 149 K CA -0.129 56.016 56.287 -0.237 0.000 0.922 149 K CB 0.462 32.791 32.500 -0.286 0.000 1.057 149 K HN 0.296 nan 8.250 nan 0.000 0.479 150 D N 3.273 123.606 120.400 -0.111 0.000 2.685 150 D HA 0.021 4.661 4.640 0.001 0.000 0.236 150 D C -0.713 175.720 176.300 0.220 0.000 1.233 150 D CA -0.332 53.676 54.000 0.013 0.000 0.760 150 D CB 1.309 42.154 40.800 0.075 0.000 1.410 150 D HN 0.544 nan 8.370 nan 0.000 0.439 151 Q N 0.615 120.541 119.800 0.211 0.000 2.155 151 Q HA 0.150 4.490 4.340 0.001 0.000 0.220 151 Q C 1.588 177.784 176.000 0.326 0.000 0.819 151 Q CA -0.029 55.897 55.803 0.204 0.000 1.032 151 Q CB 0.843 29.515 28.738 -0.109 0.000 1.151 151 Q HN 0.550 nan 8.270 nan 0.000 0.487 152 S N 0.186 116.089 115.700 0.338 0.000 2.389 152 S HA -0.348 4.122 4.470 0.001 0.000 0.231 152 S C 1.719 176.549 174.600 0.382 0.000 1.052 152 S CA 1.548 59.965 58.200 0.362 0.000 1.053 152 S CB -0.704 62.792 63.200 0.494 0.000 0.886 152 S HN 0.594 nan 8.310 nan 0.000 0.456 153 Y N 2.354 122.841 120.300 0.311 0.000 2.102 153 Y HA -0.216 4.334 4.550 0.001 0.000 0.280 153 Y C 1.748 177.630 175.900 -0.030 0.000 1.178 153 Y CA 1.584 59.746 58.100 0.102 0.000 1.146 153 Y CB -0.753 37.723 38.460 0.027 0.000 0.968 153 Y HN 0.247 nan 8.280 nan 0.000 0.504 154 F N -0.211 119.744 119.950 0.007 0.000 2.641 154 F HA -0.019 4.508 4.527 0.001 0.000 0.298 154 F C 1.048 176.811 175.800 -0.062 0.000 1.146 154 F CA 0.763 58.705 58.000 -0.096 0.000 1.464 154 F CB -0.334 38.584 39.000 -0.137 0.000 1.101 154 F HN 0.031 nan 8.300 nan 0.000 0.585 155 L N -0.765 120.521 121.223 0.105 0.000 3.110 155 L HA 0.125 4.466 4.340 0.001 0.000 0.266 155 L C 1.236 178.051 176.870 -0.092 0.000 1.257 155 L CA -0.281 54.533 54.840 -0.043 0.000 1.038 155 L CB -0.854 41.161 42.059 -0.073 0.000 1.395 155 L HN 0.216 nan 8.230 nan 0.000 0.566 156 Y N -1.379 118.780 120.300 -0.235 0.000 2.509 156 Y HA -0.108 4.443 4.550 0.001 0.000 0.293 156 Y C 2.407 178.154 175.900 -0.255 0.000 1.133 156 Y CA 0.870 58.819 58.100 -0.251 0.000 1.283 156 Y CB -0.847 37.422 38.460 -0.319 0.000 1.001 156 Y HN 0.257 nan 8.280 nan 0.000 0.555 157 T N -0.584 113.435 114.554 -0.892 0.000 2.904 157 T HA 0.006 4.356 4.350 0.001 0.000 0.267 157 T C 0.925 175.411 174.700 -0.357 0.000 1.059 157 T CA 0.241 61.840 62.100 -0.836 0.000 1.137 157 T CB -0.763 67.606 68.868 -0.832 0.000 0.879 157 T HN 0.290 nan 8.240 nan 0.000 0.467 158 L N 2.716 123.776 121.223 -0.271 0.000 2.503 158 L HA 0.221 4.561 4.340 0.001 0.000 0.287 158 L C 0.936 177.774 176.870 -0.053 0.000 1.252 158 L CA -0.197 54.552 54.840 -0.152 0.000 0.835 158 L CB 0.053 41.979 42.059 -0.221 0.000 1.099 158 L HN 0.467 nan 8.230 nan 0.000 0.516 159 S N -1.594 114.120 115.700 0.024 0.000 2.689 159 S HA 0.301 4.771 4.470 0.001 0.000 0.306 159 S C 0.818 175.520 174.600 0.170 0.000 1.104 159 S CA -0.520 57.723 58.200 0.071 0.000 0.973 159 S CB 1.329 64.597 63.200 0.113 0.000 1.121 159 S HN 0.813 nan 8.310 nan 0.000 0.523 160 H N 0.036 119.137 119.070 0.051 0.000 2.319 160 H HA -0.069 4.487 4.556 0.001 0.000 0.299 160 H C 1.356 176.711 175.328 0.045 0.000 1.092 160 H CA 1.175 57.252 56.048 0.049 0.000 1.302 160 H CB -0.425 29.368 29.762 0.051 0.000 1.373 160 H HN 0.583 nan 8.280 nan 0.000 0.497 161 E N 1.414 121.809 120.200 0.326 0.000 2.037 161 E HA -0.261 4.089 4.350 0.001 0.000 0.214 161 E C 2.360 179.020 176.600 0.101 0.000 1.041 161 E CA 1.683 58.129 56.400 0.076 0.000 0.872 161 E CB -0.585 29.187 29.700 0.120 0.000 0.785 161 E HN 0.676 nan 8.360 nan 0.000 0.476 162 Q N 0.256 120.140 119.800 0.140 0.000 2.082 162 Q HA -0.200 4.140 4.340 0.001 0.000 0.211 162 Q C 2.479 178.572 176.000 0.155 0.000 1.002 162 Q CA 1.744 57.644 55.803 0.161 0.000 0.868 162 Q CB -0.368 28.481 28.738 0.185 0.000 0.931 162 Q HN 0.336 nan 8.270 nan 0.000 0.414 163 I N 0.425 121.063 120.570 0.113 0.000 2.091 163 I HA -0.355 3.815 4.170 0.001 0.000 0.239 163 I C 2.477 178.569 176.117 -0.042 0.000 1.061 163 I CA 1.106 62.432 61.300 0.043 0.000 1.317 163 I CB -0.591 37.450 38.000 0.068 0.000 1.031 163 I HN 0.266 nan 8.210 nan 0.000 0.401 164 A N -0.326 122.500 122.820 0.010 0.000 1.940 164 A HA -0.336 3.984 4.320 0.001 0.000 0.221 164 A C 2.215 179.824 177.584 0.043 0.000 1.190 164 A CA 2.103 54.142 52.037 0.003 0.000 0.647 164 A CB -0.810 18.198 19.000 0.013 0.000 0.821 164 A HN 0.580 nan 8.150 nan 0.000 0.457 165 Q N -0.372 119.477 119.800 0.082 0.000 2.482 165 Q HA 0.085 4.426 4.340 0.001 0.000 0.209 165 Q C -0.285 175.791 176.000 0.126 0.000 0.961 165 Q CA 0.081 55.987 55.803 0.172 0.000 0.945 165 Q CB 0.040 28.843 28.738 0.108 0.000 1.012 165 Q HN 0.620 nan 8.270 nan 0.000 0.515 166 S N -0.281 115.381 115.700 -0.064 0.000 2.638 166 S HA 0.557 5.027 4.470 0.001 0.000 0.298 166 S C -0.726 173.546 174.600 -0.547 0.000 1.111 166 S CA -0.641 57.429 58.200 -0.216 0.000 1.027 166 S CB 1.436 64.570 63.200 -0.110 0.000 1.064 166 S HN 0.214 nan 8.310 nan 0.000 0.525 167 L N 2.183 123.113 121.223 -0.489 0.000 2.381 167 L HA 0.534 4.874 4.340 0.001 0.000 0.274 167 L C -1.513 175.255 176.870 -0.170 0.000 0.988 167 L CA -0.337 54.219 54.840 -0.473 0.000 0.824 167 L CB 1.215 43.028 42.059 -0.410 0.000 1.263 167 L HN 0.681 nan 8.230 nan 0.000 0.410 168 F N 4.604 124.515 119.950 -0.065 0.000 2.363 168 F HA 0.281 4.808 4.527 0.001 0.000 0.366 168 F C -1.316 174.443 175.800 -0.068 0.000 1.083 168 F CA -1.560 56.426 58.000 -0.023 0.000 1.176 168 F CB 1.115 40.127 39.000 0.021 0.000 1.432 168 F HN 0.433 nan 8.300 nan 0.000 0.482 169 P HA -0.176 nan 4.420 nan 0.000 0.212 169 P C 1.776 179.065 177.300 -0.018 0.000 1.180 169 P CA 1.569 64.673 63.100 0.005 0.000 0.902 169 P CB -0.018 31.675 31.700 -0.010 0.000 0.778 170 V N -1.586 118.310 119.914 -0.031 0.000 2.594 170 V HA -0.008 4.113 4.120 0.001 0.000 0.253 170 V C 2.516 178.362 176.094 -0.412 0.000 1.069 170 V CA 2.024 64.248 62.300 -0.126 0.000 1.082 170 V CB -2.327 29.456 31.823 -0.067 0.000 0.680 170 V HN 0.158 nan 8.190 nan 0.000 0.469 171 G N -0.095 108.456 108.800 -0.414 0.000 2.591 171 G HA2 -0.201 3.760 3.960 0.001 0.000 0.218 171 G HA3 -0.201 3.760 3.960 0.001 0.000 0.218 171 G C 1.427 176.069 174.900 -0.429 0.000 1.113 171 G CA 0.967 45.685 45.100 -0.637 0.000 0.740 171 G HN 0.608 nan 8.290 nan 0.000 0.569 172 E N -0.398 119.658 120.200 -0.239 0.000 2.216 172 E HA 0.148 4.499 4.350 0.001 0.000 0.192 172 E C 1.769 178.335 176.600 -0.056 0.000 0.973 172 E CA -0.156 56.190 56.400 -0.090 0.000 0.851 172 E CB 0.056 29.738 29.700 -0.031 0.000 0.804 172 E HN 0.389 nan 8.360 nan 0.000 0.477 173 L N 0.934 122.107 121.223 -0.084 0.000 2.553 173 L HA 0.066 4.406 4.340 0.001 0.000 0.185 173 L C 0.586 177.538 176.870 0.137 0.000 1.137 173 L CA 0.291 55.147 54.840 0.027 0.000 0.919 173 L CB 0.132 42.218 42.059 0.046 0.000 1.560 173 L HN -0.133 nan 8.230 nan 0.000 0.515 174 E N -0.648 119.672 120.200 0.201 0.000 2.260 174 E HA 0.117 4.468 4.350 0.001 0.000 0.266 174 E C -0.308 176.427 176.600 0.225 0.000 0.887 174 E CA -0.642 55.913 56.400 0.258 0.000 0.777 174 E CB 2.246 32.031 29.700 0.141 0.000 1.205 174 E HN 0.266 nan 8.360 nan 0.000 0.414 175 K N 3.612 124.160 120.400 0.247 0.000 2.108 175 K HA -0.220 4.100 4.320 0.001 0.000 0.219 175 K C -0.762 175.883 176.600 0.076 0.000 1.054 175 K CA 2.607 58.975 56.287 0.135 0.000 0.945 175 K CB -0.920 31.568 32.500 -0.019 0.000 0.728 175 K HN 0.363 nan 8.250 nan 0.000 0.462 176 P HA -0.192 nan 4.420 nan 0.000 0.216 176 P C 0.948 178.267 177.300 0.032 0.000 1.150 176 P CA 1.606 64.722 63.100 0.027 0.000 0.837 176 P CB -0.070 31.641 31.700 0.017 0.000 0.786 177 Q N -0.141 119.689 119.800 0.051 0.000 2.002 177 Q HA -0.106 4.234 4.340 0.001 0.000 0.204 177 Q C 2.438 178.460 176.000 0.036 0.000 0.988 177 Q CA 1.660 57.490 55.803 0.045 0.000 0.843 177 Q CB -1.007 27.770 28.738 0.066 0.000 0.908 177 Q HN 0.065 nan 8.270 nan 0.000 0.420 178 V N 1.035 120.990 119.914 0.067 0.000 2.220 178 V HA -0.343 3.778 4.120 0.001 0.000 0.250 178 V C 2.218 178.322 176.094 0.018 0.000 1.056 178 V CA 2.357 64.694 62.300 0.060 0.000 1.016 178 V CB -0.642 31.247 31.823 0.109 0.000 0.639 178 V HN 0.321 nan 8.190 nan 0.000 0.446 179 R N -0.609 119.905 120.500 0.022 0.000 2.316 179 R HA -0.153 4.188 4.340 0.001 0.000 0.232 179 R C 2.064 178.349 176.300 -0.026 0.000 1.137 179 R CA 0.985 57.083 56.100 -0.002 0.000 1.012 179 R CB 0.021 30.321 30.300 0.001 0.000 0.859 179 R HN 0.411 nan 8.270 nan 0.000 0.474 180 K N -0.325 120.056 120.400 -0.030 0.000 2.225 180 K HA 0.110 4.431 4.320 0.001 0.000 0.204 180 K C 1.886 178.426 176.600 -0.100 0.000 1.047 180 K CA 0.574 56.830 56.287 -0.052 0.000 0.970 180 K CB -0.317 32.163 32.500 -0.033 0.000 0.939 180 K HN 0.106 nan 8.250 nan 0.000 0.472 181 I N 1.974 122.475 120.570 -0.116 0.000 2.147 181 I HA -0.385 3.786 4.170 0.001 0.000 0.245 181 I C 2.334 178.259 176.117 -0.320 0.000 1.059 181 I CA 1.742 62.896 61.300 -0.244 0.000 1.320 181 I CB -0.347 37.505 38.000 -0.246 0.000 1.021 181 I HN 0.108 nan 8.210 nan 0.000 0.415 182 A N 0.074 122.766 122.820 -0.214 0.000 1.877 182 A HA -0.292 4.028 4.320 0.001 0.000 0.216 182 A C 2.262 179.750 177.584 -0.161 0.000 1.186 182 A CA 2.062 53.985 52.037 -0.190 0.000 0.620 182 A CB -0.684 18.256 19.000 -0.100 0.000 0.822 182 A HN 0.543 nan 8.150 nan 0.000 0.443 183 E N -0.169 119.959 120.200 -0.120 0.000 2.110 183 E HA -0.224 4.127 4.350 0.001 0.000 0.193 183 E C 1.322 177.857 176.600 -0.108 0.000 0.988 183 E CA 1.529 57.873 56.400 -0.094 0.000 0.804 183 E CB -0.098 29.561 29.700 -0.068 0.000 0.745 183 E HN 0.582 nan 8.360 nan 0.000 0.458 184 D N 0.391 120.708 120.400 -0.139 0.000 2.085 184 D HA -0.130 4.510 4.640 0.001 0.000 0.199 184 D C 2.215 178.418 176.300 -0.162 0.000 0.981 184 D CA 1.089 55.007 54.000 -0.137 0.000 0.834 184 D CB -0.297 40.414 40.800 -0.147 0.000 0.992 184 D HN 0.262 nan 8.370 nan 0.000 0.457 185 L N -0.074 120.990 121.223 -0.264 0.000 2.051 185 L HA -0.158 4.183 4.340 0.001 0.000 0.214 185 L C 1.974 178.753 176.870 -0.152 0.000 1.076 185 L CA 1.661 56.338 54.840 -0.271 0.000 0.758 185 L CB -0.563 41.220 42.059 -0.460 0.000 0.890 185 L HN 0.293 nan 8.230 nan 0.000 0.433 186 G N -1.281 107.437 108.800 -0.138 0.000 2.205 186 G HA2 -0.194 3.766 3.960 0.001 0.000 0.180 186 G HA3 -0.194 3.766 3.960 0.001 0.000 0.180 186 G C 0.218 175.071 174.900 -0.078 0.000 1.004 186 G CA -0.315 44.731 45.100 -0.088 0.000 0.670 186 G HN 0.148 nan 8.290 nan 0.000 0.496 187 L N 1.696 122.861 121.223 -0.096 0.000 2.706 187 L HA -0.012 4.329 4.340 0.001 0.000 0.282 187 L C 2.332 179.169 176.870 -0.056 0.000 1.219 187 L CA 0.097 54.896 54.840 -0.069 0.000 0.935 187 L CB 0.340 42.353 42.059 -0.075 0.000 1.204 187 L HN 0.025 nan 8.230 nan 0.000 0.491 188 V N 1.635 121.522 119.914 -0.045 0.000 2.546 188 V HA -0.292 3.829 4.120 0.001 0.000 0.254 188 V C 2.449 178.520 176.094 -0.039 0.000 1.076 188 V CA 2.269 64.543 62.300 -0.042 0.000 1.087 188 V CB -1.360 30.437 31.823 -0.042 0.000 0.674 188 V HN 1.090 nan 8.190 nan 0.000 0.470 189 T N -0.567 113.966 114.554 -0.034 0.000 2.821 189 T HA 0.038 4.389 4.350 0.001 0.000 0.267 189 T C 1.148 175.831 174.700 -0.029 0.000 1.046 189 T CA 0.674 62.758 62.100 -0.027 0.000 1.139 189 T CB -0.492 68.367 68.868 -0.015 0.000 0.871 189 T HN 0.700 nan 8.240 nan 0.000 0.454 190 A N 1.884 124.682 122.820 -0.037 0.000 2.584 190 A HA 0.305 4.625 4.320 0.001 0.000 0.239 190 A C 0.673 178.237 177.584 -0.033 0.000 1.043 190 A CA 0.346 52.360 52.037 -0.038 0.000 0.756 190 A CB -0.653 18.315 19.000 -0.053 0.000 0.963 190 A HN 0.627 nan 8.150 nan 0.000 0.511 191 K N -0.016 120.367 120.400 -0.028 0.000 3.241 191 K HA -0.108 4.212 4.320 0.001 0.000 0.268 191 K C -0.581 176.004 176.600 -0.025 0.000 1.180 191 K CA 1.226 57.497 56.287 -0.026 0.000 0.801 191 K CB -1.249 31.234 32.500 -0.028 0.000 1.304 191 K HN 0.821 nan 8.250 nan 0.000 0.496 192 K N 1.609 121.995 120.400 -0.023 0.000 2.507 192 K HA 0.234 4.554 4.320 0.001 0.000 0.251 192 K C -0.717 175.869 176.600 -0.023 0.000 0.943 192 K CA -1.026 55.247 56.287 -0.023 0.000 0.794 192 K CB 1.277 33.764 32.500 -0.021 0.000 1.188 192 K HN 0.047 nan 8.250 nan 0.000 0.428 193 K N 3.860 124.245 120.400 -0.025 0.000 2.327 193 K HA -0.206 4.114 4.320 0.001 0.000 0.254 193 K C 0.644 177.227 176.600 -0.029 0.000 1.251 193 K CA 0.766 57.037 56.287 -0.027 0.000 1.261 193 K CB -0.294 32.188 32.500 -0.029 0.000 0.766 193 K HN 0.606 nan 8.250 nan 0.000 0.510 194 D N 2.122 122.505 120.400 -0.028 0.000 2.382 194 D HA -0.257 4.384 4.640 0.001 0.000 0.194 194 D C -0.433 175.843 176.300 -0.040 0.000 1.026 194 D CA 1.940 55.922 54.000 -0.030 0.000 0.913 194 D CB 0.046 40.826 40.800 -0.032 0.000 0.894 194 D HN 0.685 nan 8.370 nan 0.000 0.453 195 S N -3.110 112.564 115.700 -0.044 0.000 2.871 195 S HA -0.079 4.391 4.470 0.001 0.000 0.854 195 S C -0.444 174.117 174.600 -0.064 0.000 0.894 195 S CA 0.363 58.529 58.200 -0.056 0.000 1.455 195 S CB -0.712 62.450 63.200 -0.062 0.000 1.043 195 S HN 0.234 nan 8.310 nan 0.000 0.226 196 T N 2.517 117.028 114.554 -0.072 0.000 2.618 196 T HA 0.880 5.230 4.350 0.001 0.000 0.286 196 T C 0.644 175.283 174.700 -0.103 0.000 1.027 196 T CA 0.438 62.495 62.100 -0.071 0.000 1.063 196 T CB 0.593 69.429 68.868 -0.054 0.000 1.440 196 T HN 2.397 nan 8.240 nan 0.000 0.505 197 G N 0.569 109.304 108.800 -0.108 0.000 2.955 197 G HA2 -0.091 3.869 3.960 0.001 0.000 0.604 197 G HA3 -0.091 3.869 3.960 0.001 0.000 0.604 197 G C -0.327 174.463 174.900 -0.183 0.000 1.572 197 G CA -0.561 44.438 45.100 -0.170 0.000 1.016 197 G HN 0.836 nan 8.290 nan 0.000 0.569 198 I N 0.074 120.500 120.570 -0.240 0.000 3.075 198 I HA -0.023 4.147 4.170 0.001 0.000 0.320 198 I C 1.777 177.756 176.117 -0.230 0.000 1.211 198 I CA 0.461 61.618 61.300 -0.238 0.000 1.463 198 I CB -0.357 37.440 38.000 -0.340 0.000 1.308 198 I HN 0.782 nan 8.210 nan 0.000 0.553 199 C N 7.236 126.420 119.300 -0.194 0.000 2.634 199 C HA 0.171 4.632 4.460 0.001 0.000 0.418 199 C C 1.500 176.415 174.990 -0.125 0.000 1.373 199 C CA 0.128 59.057 59.018 -0.149 0.000 1.756 199 C CB -1.774 25.822 27.740 -0.240 0.000 2.589 199 C HN 0.846 nan 8.230 nan 0.000 0.602 200 F N 1.489 121.244 119.950 -0.325 0.000 2.518 200 F HA -0.236 4.292 4.527 0.001 0.000 0.648 200 F C 0.894 176.433 175.800 -0.434 0.000 0.494 200 F CA 0.632 58.400 58.000 -0.386 0.000 0.962 200 F CB -1.439 37.230 39.000 -0.552 0.000 1.777 200 F HN 0.464 nan 8.300 nan 0.000 0.262 201 I N 1.188 121.521 120.570 -0.395 0.000 2.713 201 I HA 0.442 4.612 4.170 0.001 0.000 0.300 201 I C 1.202 177.037 176.117 -0.470 0.000 1.009 201 I CA 0.172 61.054 61.300 -0.698 0.000 1.305 201 I CB 0.655 37.992 38.000 -1.105 0.000 1.430 201 I HN 0.072 nan 8.210 nan 0.000 0.546 202 G N 2.049 110.572 108.800 -0.462 0.000 2.544 202 G HA2 0.085 4.045 3.960 0.001 0.000 0.242 202 G HA3 0.085 4.045 3.960 0.001 0.000 0.242 202 G C 0.297 175.019 174.900 -0.297 0.000 1.247 202 G CA -0.432 44.490 45.100 -0.296 0.000 0.840 202 G HN 0.806 nan 8.290 nan 0.000 0.578 203 E N 0.717 120.804 120.200 -0.187 0.000 2.405 203 E HA -0.044 4.306 4.350 0.001 0.000 0.194 203 E C 1.172 177.695 176.600 -0.128 0.000 1.149 203 E CA -0.091 56.218 56.400 -0.152 0.000 0.933 203 E CB -0.210 29.431 29.700 -0.097 0.000 1.028 203 E HN 0.516 nan 8.360 nan 0.000 0.487 204 R N 1.491 121.894 120.500 -0.162 0.000 2.944 204 R HA 0.071 4.412 4.340 0.001 0.000 0.279 204 R C 0.294 176.584 176.300 -0.017 0.000 1.048 204 R CA -0.123 55.926 56.100 -0.085 0.000 1.196 204 R CB 0.308 30.546 30.300 -0.104 0.000 1.134 204 R HN -0.110 nan 8.270 nan 0.000 0.525 205 K N 1.422 121.858 120.400 0.060 0.000 2.312 205 K HA 0.019 4.339 4.320 0.001 0.000 0.287 205 K C 0.675 177.433 176.600 0.264 0.000 1.062 205 K CA -0.254 56.105 56.287 0.119 0.000 0.934 205 K CB 0.366 32.918 32.500 0.086 0.000 1.027 205 K HN 0.567 nan 8.250 nan 0.000 0.478 206 F N 3.887 123.907 119.950 0.117 0.000 2.025 206 F HA -0.391 4.136 4.527 0.001 0.000 0.297 206 F C 2.271 178.149 175.800 0.130 0.000 1.171 206 F CA 1.385 59.503 58.000 0.197 0.000 1.204 206 F CB -0.009 39.094 39.000 0.171 0.000 0.948 206 F HN 0.742 nan 8.300 nan 0.000 0.512 207 R N 0.028 120.567 120.500 0.064 0.000 2.234 207 R HA -0.321 4.020 4.340 0.001 0.000 0.262 207 R C 2.009 178.218 176.300 -0.153 0.000 1.150 207 R CA 2.368 58.270 56.100 -0.329 0.000 0.981 207 R CB -0.769 29.295 30.300 -0.393 0.000 0.899 207 R HN 0.541 nan 8.270 nan 0.000 0.458 208 E N -0.954 119.282 120.200 0.059 0.000 2.158 208 E HA -0.137 4.214 4.350 0.001 0.000 0.191 208 E C 1.691 178.458 176.600 0.278 0.000 0.982 208 E CA 0.465 56.937 56.400 0.121 0.000 0.823 208 E CB -0.012 29.764 29.700 0.125 0.000 0.766 208 E HN 0.180 nan 8.360 nan 0.000 0.468 209 F N 1.049 121.154 119.950 0.258 0.000 2.098 209 F HA -0.130 4.397 4.527 0.001 0.000 0.294 209 F C 1.977 178.093 175.800 0.526 0.000 1.107 209 F CA 0.845 59.093 58.000 0.413 0.000 1.234 209 F CB -0.505 38.792 39.000 0.495 0.000 1.002 209 F HN 0.050 nan 8.300 nan 0.000 0.472 210 L N 0.584 122.023 121.223 0.361 0.000 2.141 210 L HA 0.118 4.459 4.340 0.001 0.000 0.209 210 L C 2.106 179.054 176.870 0.131 0.000 1.094 210 L CA 1.837 56.751 54.840 0.123 0.000 0.763 210 L CB -1.396 40.462 42.059 -0.335 0.000 0.908 210 L HN 0.213 nan 8.230 nan 0.000 0.437 211 G N -1.276 107.608 108.800 0.141 0.000 3.332 211 G HA2 -0.025 3.935 3.960 0.001 0.000 0.242 211 G HA3 -0.025 3.935 3.960 0.001 0.000 0.242 211 G C 1.302 176.254 174.900 0.086 0.000 1.276 211 G CA -0.089 45.117 45.100 0.178 0.000 0.988 211 G HN 0.357 nan 8.290 nan 0.000 0.517 212 R N -1.416 119.103 120.500 0.033 0.000 2.538 212 R HA 0.260 4.601 4.340 0.001 0.000 0.372 212 R C -0.011 176.086 176.300 -0.338 0.000 0.950 212 R CA -0.132 55.899 56.100 -0.115 0.000 1.168 212 R CB 0.578 30.815 30.300 -0.105 0.000 1.542 212 R HN 0.318 nan 8.270 nan 0.000 0.536 213 Y N -0.773 119.585 120.300 0.097 0.000 2.610 213 Y HA 0.418 4.969 4.550 0.001 0.000 0.254 213 Y C -0.221 175.714 175.900 0.058 0.000 1.110 213 Y CA -0.073 58.105 58.100 0.130 0.000 1.238 213 Y CB 1.110 39.665 38.460 0.159 0.000 1.322 213 Y HN -0.139 nan 8.280 nan 0.000 0.547 214 L N -0.043 121.249 121.223 0.114 0.000 2.491 214 L HA 0.481 4.821 4.340 0.001 0.000 0.254 214 L C -2.101 174.768 176.870 -0.002 0.000 1.048 214 L CA -2.080 52.778 54.840 0.031 0.000 0.855 214 L CB 1.859 43.892 42.059 -0.043 0.000 1.466 214 L HN -0.243 nan 8.230 nan 0.000 0.409 215 P HA 0.239 nan 4.420 nan 0.000 0.310 215 P C -1.013 176.239 177.300 -0.079 0.000 1.309 215 P CA -0.265 62.807 63.100 -0.047 0.000 0.753 215 P CB 0.579 32.244 31.700 -0.057 0.000 1.491 216 A N -0.155 122.614 122.820 -0.085 0.000 2.893 216 A HA 0.285 4.606 4.320 0.001 0.000 0.298 216 A C -0.613 176.911 177.584 -0.100 0.000 1.227 216 A CA -0.590 51.386 52.037 -0.101 0.000 0.845 216 A CB 0.152 19.157 19.000 0.008 0.000 1.430 216 A HN 0.479 nan 8.150 nan 0.000 0.493 217 Q N 2.360 122.067 119.800 -0.155 0.000 2.341 217 Q HA 0.528 4.868 4.340 0.001 0.000 0.268 217 Q C -2.707 173.195 176.000 -0.162 0.000 1.013 217 Q CA -1.940 53.789 55.803 -0.123 0.000 0.798 217 Q CB 2.046 30.723 28.738 -0.102 0.000 1.253 217 Q HN 0.410 nan 8.270 nan 0.000 0.457 218 P HA 0.234 nan 4.420 nan 0.000 0.295 218 P C 0.192 177.426 177.300 -0.110 0.000 1.300 218 P CA 0.497 63.523 63.100 -0.123 0.000 0.801 218 P CB 0.323 31.992 31.700 -0.051 0.000 1.420 219 G N -2.427 106.358 108.800 -0.024 0.000 2.360 219 G HA2 0.347 4.308 3.960 0.001 0.000 0.276 219 G HA3 0.347 4.308 3.960 0.001 0.000 0.276 219 G C -1.673 173.297 174.900 0.117 0.000 1.256 219 G CA -0.541 44.604 45.100 0.075 0.000 0.890 219 G HN 0.436 nan 8.290 nan 0.000 0.486 220 K N -0.274 120.199 120.400 0.122 0.000 2.340 220 K HA 0.736 5.056 4.320 0.001 0.000 0.244 220 K C -0.835 175.770 176.600 0.009 0.000 0.973 220 K CA -0.674 55.648 56.287 0.059 0.000 0.828 220 K CB 2.172 34.683 32.500 0.019 0.000 1.226 220 K HN 0.465 nan 8.250 nan 0.000 0.437 221 I N 3.038 123.610 120.570 0.003 0.000 2.406 221 I HA 0.427 4.598 4.170 0.001 0.000 0.290 221 I C -0.201 175.916 176.117 -0.000 0.000 0.999 221 I CA -0.720 60.563 61.300 -0.028 0.000 1.124 221 I CB 1.299 39.310 38.000 0.018 0.000 1.289 221 I HN 0.298 nan 8.210 nan 0.000 0.441 222 I N 4.384 124.959 120.570 0.008 0.000 2.740 222 I HA 0.376 4.547 4.170 0.001 0.000 0.303 222 I C 0.433 176.620 176.117 0.117 0.000 1.044 222 I CA -0.495 60.834 61.300 0.049 0.000 1.064 222 I CB 2.379 40.392 38.000 0.023 0.000 1.249 222 I HN 0.505 nan 8.210 nan 0.000 0.433 223 T N 2.656 117.306 114.554 0.160 0.000 2.729 223 T HA 0.086 4.436 4.350 0.001 0.000 0.298 223 T C 1.115 175.872 174.700 0.096 0.000 1.013 223 T CA -0.510 61.719 62.100 0.216 0.000 0.957 223 T CB 1.043 70.052 68.868 0.235 0.000 1.130 223 T HN 0.355 nan 8.240 nan 0.000 0.526 224 V N 0.586 120.524 119.914 0.039 0.000 3.573 224 V HA 0.023 4.143 4.120 0.001 0.000 0.270 224 V C 0.633 176.751 176.094 0.039 0.000 1.221 224 V CA 1.062 63.386 62.300 0.040 0.000 1.163 224 V CB -0.478 31.375 31.823 0.049 0.000 0.847 224 V HN 0.727 nan 8.190 nan 0.000 0.468 225 D N 1.182 121.607 120.400 0.041 0.000 3.058 225 D HA 0.241 4.881 4.640 0.001 0.000 0.272 225 D C 1.546 177.871 176.300 0.042 0.000 1.350 225 D CA 0.463 54.487 54.000 0.039 0.000 0.863 225 D CB 0.534 41.357 40.800 0.038 0.000 1.064 225 D HN 0.356 nan 8.370 nan 0.000 0.488 226 G N 3.001 111.824 108.800 0.038 0.000 2.468 226 G HA2 -0.274 3.686 3.960 0.001 0.000 0.311 226 G HA3 -0.274 3.686 3.960 0.001 0.000 0.311 226 G C -0.064 174.856 174.900 0.032 0.000 0.942 226 G CA 0.688 45.807 45.100 0.031 0.000 0.893 226 G HN 0.489 nan 8.290 nan 0.000 0.513 227 D N -0.743 119.684 120.400 0.046 0.000 2.619 227 D HA 0.430 5.071 4.640 0.001 0.000 0.241 227 D C 0.132 176.457 176.300 0.042 0.000 1.087 227 D CA -0.993 53.032 54.000 0.041 0.000 0.851 227 D CB 1.210 42.038 40.800 0.047 0.000 1.474 227 D HN 0.121 nan 8.370 nan 0.000 0.478 228 E N 0.638 120.852 120.200 0.023 0.000 2.485 228 E HA 0.039 4.389 4.350 0.001 0.000 0.266 228 E C 0.021 176.622 176.600 0.002 0.000 1.090 228 E CA 0.329 56.736 56.400 0.010 0.000 0.987 228 E CB 1.244 30.944 29.700 0.001 0.000 0.974 228 E HN 0.608 nan 8.360 nan 0.000 0.455 229 I N -1.103 119.453 120.570 -0.024 0.000 5.393 229 I HA 0.135 4.305 4.170 0.001 0.000 0.340 229 I C 0.008 176.056 176.117 -0.116 0.000 1.117 229 I CA 1.079 62.327 61.300 -0.087 0.000 1.603 229 I CB 0.499 38.438 38.000 -0.102 0.000 1.948 229 I HN 0.463 nan 8.210 nan 0.000 0.653 230 G N 0.830 109.592 108.800 -0.063 0.000 2.690 230 G HA2 0.476 4.436 3.960 0.001 0.000 0.291 230 G HA3 0.476 4.436 3.960 0.001 0.000 0.291 230 G C -1.584 173.321 174.900 0.008 0.000 1.403 230 G CA -0.473 44.599 45.100 -0.046 0.000 0.864 230 G HN 0.026 nan 8.290 nan 0.000 0.480 231 E N -0.244 119.970 120.200 0.023 0.000 2.089 231 E HA 0.121 4.472 4.350 0.001 0.000 0.284 231 E C 0.098 176.762 176.600 0.106 0.000 1.023 231 E CA -0.627 55.803 56.400 0.051 0.000 0.819 231 E CB 0.483 30.200 29.700 0.027 0.000 1.076 231 E HN 0.587 nan 8.360 nan 0.000 0.396 232 H N 4.024 123.085 119.070 -0.015 0.000 2.570 232 H HA -0.069 4.488 4.556 0.001 0.000 0.280 232 H C 0.192 175.493 175.328 -0.045 0.000 1.038 232 H CA 0.477 56.497 56.048 -0.047 0.000 1.186 232 H CB -0.202 29.510 29.762 -0.083 0.000 1.339 232 H HN 0.475 nan 8.280 nan 0.000 0.615 233 Q N 1.258 121.030 119.800 -0.045 0.000 3.970 233 Q HA -0.118 4.222 4.340 0.001 0.000 0.367 233 Q C 0.709 176.613 176.000 -0.160 0.000 1.189 233 Q CA 1.421 57.181 55.803 -0.072 0.000 1.212 233 Q CB -1.387 27.372 28.738 0.034 0.000 1.037 233 Q HN 0.934 nan 8.270 nan 0.000 0.474 234 G N 1.598 110.166 108.800 -0.386 0.000 2.610 234 G HA2 -0.114 3.847 3.960 0.001 0.000 0.304 234 G HA3 -0.114 3.847 3.960 0.001 0.000 0.304 234 G C -0.319 174.006 174.900 -0.959 0.000 1.309 234 G CA -0.200 44.560 45.100 -0.568 0.000 0.906 234 G HN 0.827 nan 8.290 nan 0.000 0.521 235 L N -1.862 118.904 121.223 -0.761 0.000 2.126 235 L HA 0.324 4.665 4.340 0.001 0.000 0.236 235 L C 2.382 179.109 176.870 -0.238 0.000 1.151 235 L CA 1.562 56.123 54.840 -0.465 0.000 1.286 235 L CB -0.706 41.268 42.059 -0.142 0.000 2.572 235 L HN 1.139 nan 8.230 nan 0.000 0.535 236 M N -1.285 118.092 119.600 -0.372 0.000 2.374 236 M HA -0.097 4.384 4.480 0.001 0.000 0.264 236 M C 1.216 177.384 176.300 -0.220 0.000 1.067 236 M CA 1.705 56.818 55.300 -0.310 0.000 1.103 236 M CB -1.081 31.251 32.600 -0.447 0.000 1.402 236 M HN 0.390 nan 8.290 nan 0.000 0.444 237 Y N 0.726 120.954 120.300 -0.120 0.000 2.680 237 Y HA 0.026 4.577 4.550 0.001 0.000 0.303 237 Y C 0.961 176.984 175.900 0.206 0.000 1.166 237 Y CA -0.219 57.866 58.100 -0.024 0.000 1.344 237 Y CB -0.371 38.147 38.460 0.096 0.000 1.002 237 Y HN 0.463 nan 8.280 nan 0.000 0.537 238 H N -1.466 117.660 119.070 0.094 0.000 2.896 238 H HA 0.544 5.100 4.556 0.001 0.000 0.318 238 H C -0.470 174.939 175.328 0.135 0.000 1.409 238 H CA -0.861 55.267 56.048 0.132 0.000 1.328 238 H CB 2.352 32.213 29.762 0.165 0.000 1.940 238 H HN -0.201 nan 8.280 nan 0.000 0.665 239 T N 0.133 114.863 114.554 0.293 0.000 3.128 239 T HA 0.170 4.520 4.350 0.001 0.000 0.363 239 T C -1.424 173.390 174.700 0.190 0.000 1.610 239 T CA -0.870 61.363 62.100 0.222 0.000 1.126 239 T CB 0.529 69.533 68.868 0.226 0.000 1.416 239 T HN 0.460 nan 8.240 nan 0.000 0.480 240 L N 3.647 124.961 121.223 0.151 0.000 2.678 240 L HA 0.287 4.627 4.340 0.001 0.000 0.285 240 L C 1.863 178.809 176.870 0.128 0.000 1.233 240 L CA 1.202 56.118 54.840 0.126 0.000 0.920 240 L CB -0.496 41.617 42.059 0.091 0.000 1.176 240 L HN 1.295 nan 8.230 nan 0.000 0.495 241 G N 2.016 110.902 108.800 0.145 0.000 2.157 241 G HA2 -0.296 3.664 3.960 0.001 0.000 0.248 241 G HA3 -0.296 3.664 3.960 0.001 0.000 0.248 241 G C 0.158 175.190 174.900 0.219 0.000 0.979 241 G CA 0.329 45.515 45.100 0.144 0.000 0.650 241 G HN 0.697 nan 8.290 nan 0.000 0.529 242 Q N -0.366 119.570 119.800 0.227 0.000 2.354 242 Q HA 0.685 5.025 4.340 0.001 0.000 0.244 242 Q C 1.389 177.544 176.000 0.258 0.000 0.969 242 Q CA -0.026 55.901 55.803 0.207 0.000 0.885 242 Q CB 0.568 29.404 28.738 0.162 0.000 1.241 242 Q HN 0.420 nan 8.270 nan 0.000 0.461 243 R N 1.498 122.111 120.500 0.189 0.000 2.243 243 R HA 0.187 4.527 4.340 0.001 0.000 0.193 243 R C -0.128 176.188 176.300 0.026 0.000 0.933 243 R CA -0.156 56.013 56.100 0.115 0.000 1.105 243 R CB 0.458 30.823 30.300 0.107 0.000 1.169 243 R HN 0.406 nan 8.270 nan 0.000 0.599 244 K N 0.480 120.888 120.400 0.013 0.000 2.180 244 K HA 0.165 4.485 4.320 0.001 0.000 0.251 244 K C 0.471 177.032 176.600 -0.065 0.000 1.014 244 K CA 0.882 57.155 56.287 -0.023 0.000 0.913 244 K CB 0.535 33.024 32.500 -0.018 0.000 1.008 244 K HN 0.464 nan 8.250 nan 0.000 0.490 245 G N 0.666 109.431 108.800 -0.058 0.000 2.153 245 G HA2 -0.241 3.720 3.960 0.001 0.000 0.252 245 G HA3 -0.241 3.720 3.960 0.001 0.000 0.252 245 G C 0.343 175.246 174.900 0.005 0.000 0.994 245 G CA 0.308 45.369 45.100 -0.066 0.000 0.698 245 G HN 0.479 nan 8.290 nan 0.000 0.521 246 L N 0.096 121.334 121.223 0.026 0.000 2.791 246 L HA 0.348 4.689 4.340 0.001 0.000 0.239 246 L C 2.341 179.212 176.870 0.003 0.000 1.203 246 L CA 0.302 55.190 54.840 0.079 0.000 1.002 246 L CB -0.262 41.864 42.059 0.111 0.000 1.295 246 L HN 0.539 nan 8.230 nan 0.000 0.504 247 G N 1.334 110.124 108.800 -0.016 0.000 2.871 247 G HA2 -0.384 3.577 3.960 0.001 0.000 0.238 247 G HA3 -0.384 3.577 3.960 0.001 0.000 0.238 247 G C 0.778 175.610 174.900 -0.114 0.000 1.027 247 G CA 0.688 45.757 45.100 -0.052 0.000 0.756 247 G HN 0.411 nan 8.290 nan 0.000 0.600 248 I N 1.426 121.885 120.570 -0.184 0.000 2.996 248 I HA 0.140 4.311 4.170 0.001 0.000 0.311 248 I C 1.472 177.425 176.117 -0.274 0.000 1.219 248 I CA 1.463 62.557 61.300 -0.344 0.000 1.452 248 I CB 0.342 37.959 38.000 -0.638 0.000 1.319 248 I HN 0.214 nan 8.210 nan 0.000 0.564 249 G N 4.545 113.187 108.800 -0.263 0.000 4.716 249 G HA2 0.501 4.461 3.960 0.001 0.000 0.282 249 G HA3 0.501 4.461 3.960 0.001 0.000 0.282 249 G C 0.390 175.210 174.900 -0.134 0.000 1.173 249 G CA 0.044 45.049 45.100 -0.159 0.000 0.913 249 G HN 1.144 nan 8.290 nan 0.000 0.566 250 G N 0.258 108.955 108.800 -0.173 0.000 3.149 250 G HA2 0.159 4.120 3.960 0.001 0.000 0.685 250 G HA3 0.159 4.120 3.960 0.001 0.000 0.685 250 G C -0.263 174.614 174.900 -0.037 0.000 1.589 250 G CA 0.133 45.212 45.100 -0.035 0.000 1.187 250 G HN 0.967 nan 8.290 nan 0.000 0.604 251 T N 2.082 116.655 114.554 0.031 0.000 2.932 251 T HA 0.509 4.859 4.350 0.001 0.000 0.318 251 T C 1.057 175.785 174.700 0.048 0.000 1.265 251 T CA 0.076 62.186 62.100 0.017 0.000 1.036 251 T CB 2.120 70.980 68.868 -0.014 0.000 1.209 251 T HN 1.057 nan 8.240 nan 0.000 0.484 252 K N 1.388 121.804 120.400 0.028 0.000 2.523 252 K HA -0.336 3.984 4.320 0.001 0.000 0.197 252 K C 0.307 176.931 176.600 0.040 0.000 0.788 252 K CA 2.622 58.926 56.287 0.029 0.000 1.012 252 K CB -0.243 32.270 32.500 0.022 0.000 1.260 252 K HN 0.762 nan 8.250 nan 0.000 0.583 253 E N -0.012 120.220 120.200 0.053 0.000 2.663 253 E HA 0.261 4.611 4.350 0.001 0.000 0.240 253 E C -0.377 176.269 176.600 0.077 0.000 1.227 253 E CA -0.160 56.273 56.400 0.054 0.000 1.528 253 E CB 1.164 30.891 29.700 0.045 0.000 1.472 253 E HN 0.413 nan 8.360 nan 0.000 0.433 254 G N -0.054 108.803 108.800 0.094 0.000 2.609 254 G HA2 0.164 4.124 3.960 0.001 0.000 0.308 254 G HA3 0.164 4.124 3.960 0.001 0.000 0.308 254 G C 0.531 175.482 174.900 0.086 0.000 1.369 254 G CA -0.569 44.609 45.100 0.129 0.000 0.958 254 G HN 0.034 nan 8.290 nan 0.000 0.499 255 T N 1.412 115.994 114.554 0.047 0.000 3.570 255 T HA 0.030 4.380 4.350 0.001 0.000 0.258 255 T C 1.261 175.990 174.700 0.047 0.000 1.178 255 T CA 1.034 63.152 62.100 0.030 0.000 1.002 255 T CB -0.503 68.364 68.868 -0.001 0.000 0.993 255 T HN 0.866 nan 8.240 nan 0.000 0.567 256 E N -0.536 119.712 120.200 0.080 0.000 3.760 256 E HA -0.228 4.122 4.350 0.001 0.000 0.317 256 E C 0.093 176.743 176.600 0.083 0.000 0.730 256 E CA 1.202 57.650 56.400 0.080 0.000 1.106 256 E CB -1.066 28.663 29.700 0.049 0.000 1.574 256 E HN 0.740 nan 8.360 nan 0.000 0.451 257 E N 1.860 122.100 120.200 0.067 0.000 2.425 257 E HA 0.107 4.458 4.350 0.001 0.000 0.258 257 E C -2.039 174.602 176.600 0.068 0.000 1.151 257 E CA -1.020 55.410 56.400 0.049 0.000 0.958 257 E CB 0.185 29.896 29.700 0.018 0.000 0.968 257 E HN 0.080 nan 8.360 nan 0.000 0.451 258 P HA 0.088 nan 4.420 nan 0.000 0.276 258 P C -1.191 175.982 177.300 -0.211 0.000 1.244 258 P CA -0.379 62.669 63.100 -0.086 0.000 0.801 258 P CB 0.515 32.052 31.700 -0.270 0.000 1.006 259 W N 1.041 122.107 121.300 -0.389 0.000 2.417 259 W HA 0.406 5.066 4.660 0.001 0.000 0.317 259 W C -0.294 176.012 176.519 -0.355 0.000 1.121 259 W CA 0.424 57.604 57.345 -0.274 0.000 1.208 259 W CB 0.403 29.795 29.460 -0.114 0.000 1.253 259 W HN 0.289 nan 8.180 nan 0.000 0.533 260 Y N 0.870 121.272 120.300 0.170 0.000 2.524 260 Y HA 0.536 5.086 4.550 0.001 0.000 0.344 260 Y C 0.347 176.336 175.900 0.148 0.000 1.012 260 Y CA -1.504 56.687 58.100 0.153 0.000 1.068 260 Y CB 0.638 39.176 38.460 0.130 0.000 1.249 260 Y HN -0.017 nan 8.280 nan 0.000 0.468 261 V N 1.531 121.641 119.914 0.326 0.000 3.237 261 V HA 0.055 4.176 4.120 0.001 0.000 0.305 261 V C 0.355 176.562 176.094 0.188 0.000 1.096 261 V CA 0.509 62.950 62.300 0.234 0.000 1.130 261 V CB 1.326 33.285 31.823 0.226 0.000 1.048 261 V HN 0.802 nan 8.190 nan 0.000 0.484 262 V N 0.390 120.385 119.914 0.136 0.000 3.213 262 V HA 0.339 4.459 4.120 0.001 0.000 0.260 262 V C -0.303 175.834 176.094 0.072 0.000 1.663 262 V CA 0.134 62.496 62.300 0.104 0.000 1.026 262 V CB 0.713 32.606 31.823 0.117 0.000 0.874 262 V HN 0.955 nan 8.190 nan 0.000 0.410 263 D N 0.323 120.759 120.400 0.061 0.000 2.747 263 D HA 0.247 4.887 4.640 0.001 0.000 0.218 263 D C -1.350 174.955 176.300 0.010 0.000 1.230 263 D CA -0.388 53.634 54.000 0.036 0.000 0.774 263 D CB 2.259 43.075 40.800 0.027 0.000 1.667 263 D HN 0.110 nan 8.370 nan 0.000 0.499 264 K N 1.046 121.452 120.400 0.009 0.000 2.156 264 K HA 0.290 4.610 4.320 0.001 0.000 0.271 264 K C -0.441 176.147 176.600 -0.021 0.000 0.995 264 K CA -0.671 55.605 56.287 -0.018 0.000 0.890 264 K CB 1.740 34.248 32.500 0.012 0.000 1.073 264 K HN 0.180 nan 8.250 nan 0.000 0.454 265 D N 3.861 124.235 120.400 -0.043 0.000 2.772 265 D HA 0.024 4.664 4.640 0.001 0.000 0.273 265 D C 1.409 177.699 176.300 -0.016 0.000 1.233 265 D CA -0.208 53.775 54.000 -0.028 0.000 0.984 265 D CB 0.339 41.116 40.800 -0.038 0.000 1.000 265 D HN 0.443 nan 8.370 nan 0.000 0.514 266 V N 1.709 121.618 119.914 -0.008 0.000 2.352 266 V HA -0.450 3.670 4.120 0.001 0.000 0.242 266 V C 1.972 178.061 176.094 -0.008 0.000 1.032 266 V CA 2.626 64.922 62.300 -0.007 0.000 1.108 266 V CB -1.301 30.518 31.823 -0.006 0.000 0.838 266 V HN 0.569 nan 8.190 nan 0.000 0.488 267 E N 1.006 121.201 120.200 -0.008 0.000 2.016 267 E HA -0.176 4.174 4.350 0.001 0.000 0.190 267 E C 1.882 178.479 176.600 -0.006 0.000 0.985 267 E CA 1.180 57.575 56.400 -0.008 0.000 0.802 267 E CB -0.683 29.013 29.700 -0.007 0.000 0.762 267 E HN 0.697 nan 8.360 nan 0.000 0.448 268 N N 1.986 120.682 118.700 -0.007 0.000 2.635 268 N HA -0.143 4.597 4.740 0.001 0.000 0.191 268 N C 0.087 175.596 175.510 -0.001 0.000 1.155 268 N CA 0.703 53.750 53.050 -0.006 0.000 0.927 268 N CB -0.622 37.860 38.487 -0.009 0.000 0.976 268 N HN 0.320 nan 8.380 nan 0.000 0.448 269 N N 0.795 119.498 118.700 0.005 0.000 2.650 269 N HA -0.208 4.532 4.740 0.001 0.000 0.272 269 N C -0.834 174.698 175.510 0.037 0.000 1.058 269 N CA 0.545 53.618 53.050 0.039 0.000 0.765 269 N CB -1.062 37.450 38.487 0.041 0.000 0.902 269 N HN 0.354 nan 8.380 nan 0.000 0.551 270 I N 0.221 120.751 120.570 -0.067 0.000 3.100 270 I HA 0.479 4.649 4.170 0.001 0.000 0.312 270 I C 0.156 175.995 176.117 -0.463 0.000 1.063 270 I CA -1.115 60.075 61.300 -0.183 0.000 1.031 270 I CB 1.528 39.469 38.000 -0.099 0.000 1.243 270 I HN 0.082 nan 8.210 nan 0.000 0.483 271 L N 3.123 124.062 121.223 -0.472 0.000 2.489 271 L HA 0.374 4.715 4.340 0.001 0.000 0.257 271 L C -0.970 175.808 176.870 -0.153 0.000 1.215 271 L CA -0.251 54.300 54.840 -0.481 0.000 0.915 271 L CB 1.082 42.649 42.059 -0.819 0.000 1.146 271 L HN 0.253 nan 8.230 nan 0.000 0.494 272 V N 4.913 124.785 119.914 -0.069 0.000 2.409 272 V HA 0.188 4.309 4.120 0.001 0.000 0.270 272 V C 0.871 177.011 176.094 0.078 0.000 1.019 272 V CA 0.435 62.745 62.300 0.016 0.000 1.066 272 V CB 0.452 32.288 31.823 0.022 0.000 1.021 272 V HN 0.557 nan 8.190 nan 0.000 0.476 273 V N 3.384 123.380 119.914 0.137 0.000 3.553 273 V HA 1.078 5.199 4.120 0.001 0.000 0.287 273 V C 0.307 176.468 176.094 0.113 0.000 1.111 273 V CA 0.357 62.784 62.300 0.212 0.000 0.950 273 V CB 1.476 33.543 31.823 0.406 0.000 1.243 273 V HN 0.939 nan 8.190 nan 0.000 0.443 274 A N -0.463 122.346 122.820 -0.018 0.000 5.274 274 A HA 0.747 5.067 4.320 0.001 0.000 0.127 274 A C -0.538 176.503 177.584 -0.906 0.000 1.033 274 A CA 0.237 52.018 52.037 -0.426 0.000 1.722 274 A CB 0.444 19.293 19.000 -0.251 0.000 2.569 274 A HN 1.517 nan 8.150 nan 0.000 1.155 275 Q N -0.812 118.579 119.800 -0.682 0.000 2.613 275 Q HA 0.472 4.812 4.340 0.001 0.000 0.231 275 Q C -0.795 175.086 176.000 -0.198 0.000 0.879 275 Q CA 0.387 55.794 55.803 -0.660 0.000 1.083 275 Q CB 1.004 29.060 28.738 -1.136 0.000 1.588 275 Q HN 2.794 nan 8.270 nan 0.000 0.500 276 G N 2.642 111.544 108.800 0.170 0.000 3.363 276 G HA2 -0.144 3.817 3.960 0.001 0.000 0.685 276 G HA3 -0.144 3.817 3.960 0.001 0.000 0.685 276 G C -1.187 173.890 174.900 0.296 0.000 1.199 276 G CA -0.474 44.788 45.100 0.269 0.000 0.946 276 G HN 0.805 nan 8.290 nan 0.000 0.558 277 H N 1.707 120.872 119.070 0.158 0.000 3.268 277 H HA 0.493 5.049 4.556 0.001 0.000 0.213 277 H C 1.012 176.236 175.328 -0.175 0.000 1.858 277 H CA 1.007 56.841 56.048 -0.356 0.000 1.386 277 H CB 0.226 29.843 29.762 -0.241 0.000 1.734 277 H HN 0.563 nan 8.280 nan 0.000 0.612 278 E N 0.241 120.282 120.200 -0.266 0.000 1.728 278 E HA -0.103 4.247 4.350 0.001 0.000 0.184 278 E C -0.470 176.064 176.600 -0.109 0.000 0.835 278 E CA -0.198 56.073 56.400 -0.214 0.000 1.178 278 E CB -0.679 28.953 29.700 -0.113 0.000 3.283 278 E HN 0.602 nan 8.360 nan 0.000 0.662 279 H N 3.383 122.368 119.070 -0.142 0.000 3.140 279 H HA 0.002 4.559 4.556 0.001 0.000 0.316 279 H C -1.676 173.591 175.328 -0.101 0.000 0.986 279 H CA -0.223 55.764 56.048 -0.103 0.000 1.397 279 H CB 0.947 30.657 29.762 -0.088 0.000 1.377 279 H HN -0.168 nan 8.280 nan 0.000 0.585 280 P HA -0.214 nan 4.420 nan 0.000 0.218 280 P C 0.492 177.523 177.300 -0.449 0.000 1.152 280 P CA 1.792 64.591 63.100 -0.502 0.000 0.857 280 P CB 0.191 31.631 31.700 -0.434 0.000 0.787 281 R N -0.790 119.324 120.500 -0.643 0.000 3.298 281 R HA 0.154 4.494 4.340 0.001 0.000 0.249 281 R C 0.292 176.550 176.300 -0.069 0.000 1.563 281 R CA 0.118 56.098 56.100 -0.200 0.000 1.378 281 R CB -0.500 29.791 30.300 -0.015 0.000 1.250 281 R HN 0.176 nan 8.270 nan 0.000 0.580 282 L N -0.068 121.083 121.223 -0.119 0.000 3.556 282 L HA 0.309 4.649 4.340 0.001 0.000 0.346 282 L C -1.110 175.686 176.870 -0.123 0.000 1.340 282 L CA 0.171 54.959 54.840 -0.086 0.000 0.962 282 L CB 0.700 42.701 42.059 -0.096 0.000 1.384 282 L HN -0.012 nan 8.230 nan 0.000 0.615 283 M N -1.201 118.336 119.600 -0.106 0.000 2.667 283 M HA 0.653 5.133 4.480 0.001 0.000 0.286 283 M C -0.401 175.889 176.300 -0.017 0.000 1.270 283 M CA -0.426 54.821 55.300 -0.089 0.000 0.826 283 M CB 1.684 34.215 32.600 -0.115 0.000 1.743 283 M HN -0.094 nan 8.290 nan 0.000 0.460 284 S N -0.564 115.166 115.700 0.050 0.000 2.656 284 S HA 0.767 5.237 4.470 0.001 0.000 0.273 284 S C -0.629 174.135 174.600 0.274 0.000 1.168 284 S CA -0.473 57.818 58.200 0.151 0.000 0.817 284 S CB 1.859 65.197 63.200 0.231 0.000 1.146 284 S HN 0.463 nan 8.310 nan 0.000 0.475 285 V N 1.176 121.229 119.914 0.230 0.000 3.346 285 V HA 0.627 4.747 4.120 0.001 0.000 0.309 285 V C 0.906 177.008 176.094 0.014 0.000 1.457 285 V CA 0.509 62.944 62.300 0.226 0.000 1.069 285 V CB -0.304 31.570 31.823 0.085 0.000 0.944 285 V HN 1.092 nan 8.190 nan 0.000 0.449 286 G N 0.608 109.232 108.800 -0.293 0.000 2.336 286 G HA2 0.577 4.537 3.960 0.001 0.000 0.286 286 G HA3 0.577 4.537 3.960 0.001 0.000 0.286 286 G C -1.868 172.658 174.900 -0.625 0.000 1.269 286 G CA 0.149 44.665 45.100 -0.973 0.000 0.873 286 G HN 0.664 nan 8.290 nan 0.000 0.494 287 L N -3.425 117.547 121.223 -0.419 0.000 3.170 287 L HA 0.898 5.238 4.340 0.001 0.000 0.286 287 L C -1.892 174.924 176.870 -0.090 0.000 1.006 287 L CA -0.962 53.775 54.840 -0.170 0.000 0.993 287 L CB 1.012 43.010 42.059 -0.103 0.000 1.549 287 L HN 0.778 nan 8.230 nan 0.000 0.387 288 I N 1.079 121.637 120.570 -0.019 0.000 2.478 288 I HA 0.848 5.018 4.170 0.001 0.000 0.287 288 I C -0.344 175.803 176.117 0.051 0.000 1.042 288 I CA -0.278 61.036 61.300 0.023 0.000 1.067 288 I CB 1.769 39.779 38.000 0.017 0.000 1.233 288 I HN 0.969 nan 8.210 nan 0.000 0.431 289 A N 6.752 129.627 122.820 0.091 0.000 2.317 289 A HA 0.741 5.061 4.320 0.001 0.000 0.327 289 A C -0.023 177.612 177.584 0.084 0.000 1.178 289 A CA -0.488 51.607 52.037 0.097 0.000 0.817 289 A CB 0.887 19.985 19.000 0.163 0.000 1.189 289 A HN 0.753 nan 8.150 nan 0.000 0.489 290 Q N 1.631 121.470 119.800 0.066 0.000 3.076 290 Q HA 0.272 4.612 4.340 0.001 0.000 0.212 290 Q C -0.559 175.477 176.000 0.060 0.000 1.168 290 Q CA -0.705 55.133 55.803 0.058 0.000 0.333 290 Q CB -0.341 28.423 28.738 0.043 0.000 5.777 290 Q HN 0.647 nan 8.270 nan 0.000 0.315 291 Q N 1.547 121.382 119.800 0.057 0.000 2.344 291 Q HA -0.142 4.198 4.340 0.001 0.000 0.345 291 Q C -0.603 175.463 176.000 0.111 0.000 1.138 291 Q CA 0.283 56.131 55.803 0.076 0.000 1.169 291 Q CB -1.384 27.430 28.738 0.126 0.000 1.352 291 Q HN 0.282 nan 8.270 nan 0.000 0.303 292 L N 1.840 123.049 121.223 -0.024 0.000 2.395 292 L HA 0.317 4.657 4.340 0.001 0.000 0.269 292 L C -0.045 176.593 176.870 -0.387 0.000 1.133 292 L CA -0.296 54.460 54.840 -0.139 0.000 0.812 292 L CB 0.605 42.586 42.059 -0.130 0.000 1.125 292 L HN 0.425 nan 8.230 nan 0.000 0.452 293 H N 0.248 118.976 119.070 -0.571 0.000 2.934 293 H HA 0.333 4.890 4.556 0.001 0.000 0.340 293 H C -1.562 173.323 175.328 -0.738 0.000 1.008 293 H CA -0.587 55.167 56.048 -0.490 0.000 1.317 293 H CB 0.952 30.483 29.762 -0.385 0.000 1.670 293 H HN 0.386 nan 8.280 nan 0.000 0.516 294 W N 3.329 124.619 121.300 -0.017 0.000 2.475 294 W HA 0.363 5.023 4.660 0.001 0.000 0.317 294 W C 1.402 177.880 176.519 -0.068 0.000 1.046 294 W CA -0.914 56.391 57.345 -0.065 0.000 1.215 294 W CB 1.288 30.677 29.460 -0.117 0.000 1.335 294 W HN 0.513 nan 8.180 nan 0.000 0.471 295 V N 2.915 122.879 119.914 0.083 0.000 2.370 295 V HA -0.338 3.782 4.120 0.001 0.000 0.252 295 V C 1.931 178.009 176.094 -0.028 0.000 1.068 295 V CA 2.854 65.173 62.300 0.030 0.000 1.061 295 V CB -0.301 31.556 31.823 0.056 0.000 0.656 295 V HN 0.776 nan 8.190 nan 0.000 0.455 296 D N -0.127 120.289 120.400 0.028 0.000 2.182 296 D HA -0.223 4.417 4.640 0.001 0.000 0.201 296 D C 1.173 177.349 176.300 -0.207 0.000 0.986 296 D CA 0.906 54.869 54.000 -0.062 0.000 0.847 296 D CB -0.151 40.667 40.800 0.031 0.000 0.942 296 D HN 0.483 nan 8.370 nan 0.000 0.467 297 R N 0.335 120.801 120.500 -0.057 0.000 3.525 297 R HA -0.203 4.138 4.340 0.001 0.000 0.276 297 R C -0.333 175.955 176.300 -0.021 0.000 1.116 297 R CA 0.658 56.727 56.100 -0.051 0.000 0.745 297 R CB -2.531 27.656 30.300 -0.189 0.000 1.185 297 R HN 0.437 nan 8.270 nan 0.000 0.454 298 E N 1.100 121.306 120.200 0.011 0.000 2.227 298 E HA 0.513 4.863 4.350 0.001 0.000 0.268 298 E C -2.167 174.426 176.600 -0.013 0.000 0.990 298 E CA -1.964 54.426 56.400 -0.018 0.000 0.856 298 E CB 0.971 30.640 29.700 -0.052 0.000 1.159 298 E HN -0.051 nan 8.360 nan 0.000 0.401 299 P HA 0.135 nan 4.420 nan 0.000 0.280 299 P C -1.177 176.084 177.300 -0.065 0.000 1.244 299 P CA -0.235 62.858 63.100 -0.012 0.000 0.784 299 P CB 0.332 32.019 31.700 -0.021 0.000 0.913 300 F N 4.053 123.845 119.950 -0.264 0.000 2.334 300 F HA 0.386 4.913 4.527 0.001 0.000 0.367 300 F C -0.186 175.477 175.800 -0.228 0.000 1.115 300 F CA -0.014 57.746 58.000 -0.401 0.000 1.116 300 F CB 0.537 39.125 39.000 -0.686 0.000 1.230 300 F HN 0.289 nan 8.300 nan 0.000 0.484 301 T N 2.619 116.732 114.554 -0.736 0.000 2.893 301 T HA 0.865 5.215 4.350 0.001 0.000 0.293 301 T C -0.010 174.266 174.700 -0.706 0.000 1.027 301 T CA -0.198 61.526 62.100 -0.628 0.000 0.988 301 T CB 1.312 69.993 68.868 -0.311 0.000 1.043 301 T HN 1.418 nan 8.240 nan 0.000 0.461 302 G N 1.417 109.873 108.800 -0.574 0.000 2.451 302 G HA2 0.155 4.115 3.960 0.001 0.000 0.208 302 G HA3 0.155 4.115 3.960 0.001 0.000 0.208 302 G C -0.602 174.070 174.900 -0.381 0.000 1.248 302 G CA -0.371 44.489 45.100 -0.401 0.000 0.989 302 G HN 1.131 nan 8.290 nan 0.000 0.559 303 T N 0.848 115.278 114.554 -0.208 0.000 2.848 303 T HA 0.636 4.986 4.350 0.001 0.000 0.285 303 T C 0.124 174.838 174.700 0.024 0.000 0.995 303 T CA 0.276 62.337 62.100 -0.064 0.000 0.970 303 T CB 1.441 70.288 68.868 -0.035 0.000 0.976 303 T HN 0.783 nan 8.240 nan 0.000 0.441 304 M N 2.569 122.251 119.600 0.137 0.000 2.705 304 M HA 0.810 5.291 4.480 0.001 0.000 0.311 304 M C -0.880 175.485 176.300 0.109 0.000 1.214 304 M CA -0.817 54.566 55.300 0.138 0.000 0.920 304 M CB 1.479 34.182 32.600 0.171 0.000 1.687 304 M HN 0.377 nan 8.290 nan 0.000 0.481 305 R N 2.360 122.919 120.500 0.098 0.000 2.721 305 R HA 0.464 4.804 4.340 0.001 0.000 0.272 305 R C -1.479 174.893 176.300 0.120 0.000 1.721 305 R CA -0.421 55.740 56.100 0.102 0.000 1.325 305 R CB 0.114 30.459 30.300 0.074 0.000 1.271 305 R HN 0.960 nan 8.270 nan 0.000 0.556 306 C N -1.369 118.029 119.300 0.163 0.000 3.832 306 C HA 0.890 5.351 4.460 0.001 0.000 0.330 306 C C 0.270 175.384 174.990 0.206 0.000 4.417 306 C CA -0.030 59.101 59.018 0.189 0.000 1.552 306 C CB 1.429 29.306 27.740 0.229 0.000 5.028 306 C HN 0.680 nan 8.230 nan 0.000 0.530 307 T N -1.043 113.653 114.554 0.238 0.000 2.926 307 T HA 0.728 5.078 4.350 0.001 0.000 0.289 307 T C -1.281 173.545 174.700 0.209 0.000 1.054 307 T CA -0.195 62.025 62.100 0.200 0.000 1.015 307 T CB 1.543 70.513 68.868 0.171 0.000 1.167 307 T HN 2.300 nan 8.240 nan 0.000 0.526 308 V N 1.484 121.461 119.914 0.104 0.000 2.950 308 V HA 0.566 4.686 4.120 0.001 0.000 0.295 308 V C -1.566 174.493 176.094 -0.059 0.000 1.297 308 V CA -0.812 61.444 62.300 -0.074 0.000 0.962 308 V CB 2.193 33.759 31.823 -0.428 0.000 1.081 308 V HN 1.119 nan 8.190 nan 0.000 0.432 309 K N 2.453 122.824 120.400 -0.049 0.000 2.139 309 K HA 0.703 5.023 4.320 0.001 0.000 0.243 309 K C 0.081 176.632 176.600 -0.081 0.000 0.983 309 K CA 0.006 56.265 56.287 -0.046 0.000 0.890 309 K CB 1.817 34.340 32.500 0.038 0.000 1.090 309 K HN 0.877 nan 8.250 nan 0.000 0.445 310 T N -1.143 113.358 114.554 -0.089 0.000 3.541 310 T HA 0.289 4.639 4.350 0.001 0.000 0.309 310 T C -0.127 174.546 174.700 -0.044 0.000 0.973 310 T CA -0.638 61.436 62.100 -0.042 0.000 0.993 310 T CB 0.207 69.059 68.868 -0.026 0.000 1.206 310 T HN 0.417 nan 8.240 nan 0.000 0.489 311 R N 0.073 120.484 120.500 -0.149 0.000 3.321 311 R HA 0.163 4.504 4.340 0.001 0.000 0.271 311 R C -1.776 174.124 176.300 -0.667 0.000 0.994 311 R CA -0.713 55.248 56.100 -0.232 0.000 0.920 311 R CB 0.321 30.543 30.300 -0.131 0.000 1.271 311 R HN 0.246 nan 8.270 nan 0.000 0.531 312 Y N 2.723 122.404 120.300 -1.032 0.000 2.546 312 Y HA -0.023 4.527 4.550 0.001 0.000 0.351 312 Y C 1.270 176.879 175.900 -0.485 0.000 1.266 312 Y CA 0.737 58.175 58.100 -1.105 0.000 1.487 312 Y CB 0.422 38.613 38.460 -0.448 0.000 1.365 312 Y HN 0.741 nan 8.280 nan 0.000 0.642 313 R N 1.993 121.976 120.500 -0.861 0.000 3.314 313 R HA -0.330 4.011 4.340 0.001 0.000 0.243 313 R C 0.917 176.966 176.300 -0.419 0.000 0.954 313 R CA 1.269 56.918 56.100 -0.753 0.000 0.645 313 R CB -0.815 28.838 30.300 -1.078 0.000 1.022 313 R HN 0.938 nan 8.270 nan 0.000 0.468 314 Q N -0.419 119.187 119.800 -0.323 0.000 2.823 314 Q HA 0.146 4.486 4.340 0.001 0.000 0.426 314 Q C -0.531 175.354 176.000 -0.191 0.000 1.118 314 Q CA 1.001 56.664 55.803 -0.233 0.000 0.461 314 Q CB 0.763 29.375 28.738 -0.210 0.000 5.137 314 Q HN 0.328 nan 8.270 nan 0.000 0.311 315 T N 0.845 115.305 114.554 -0.158 0.000 4.054 315 T HA 0.140 4.490 4.350 0.001 0.000 0.353 315 T C -1.753 172.883 174.700 -0.108 0.000 0.979 315 T CA -0.769 61.252 62.100 -0.133 0.000 1.047 315 T CB 0.832 69.627 68.868 -0.121 0.000 1.121 315 T HN 0.445 nan 8.240 nan 0.000 0.469 316 D N 3.089 123.431 120.400 -0.097 0.000 5.758 316 D HA -0.031 4.610 4.640 0.001 0.000 0.222 316 D C 0.617 176.897 176.300 -0.033 0.000 1.450 316 D CA 0.866 54.836 54.000 -0.050 0.000 0.892 316 D CB -0.338 40.425 40.800 -0.060 0.000 1.395 316 D HN 0.764 nan 8.370 nan 0.000 0.804 317 I N -0.239 120.312 120.570 -0.031 0.000 2.328 317 I HA 0.465 4.635 4.170 0.001 0.000 0.287 317 I C -2.429 173.714 176.117 0.044 0.000 1.012 317 I CA -2.592 58.687 61.300 -0.035 0.000 1.195 317 I CB 1.431 39.353 38.000 -0.130 0.000 1.350 317 I HN -0.079 nan 8.210 nan 0.000 0.464 318 P HA -0.067 nan 4.420 nan 0.000 0.269 318 P C -0.466 176.925 177.300 0.152 0.000 1.185 318 P CA 0.137 63.296 63.100 0.098 0.000 0.769 318 P CB 0.303 32.046 31.700 0.071 0.000 0.809 319 C N -2.149 117.252 119.300 0.167 0.000 3.253 319 C HA 0.629 5.089 4.460 0.001 0.000 0.342 319 C C -1.155 173.936 174.990 0.168 0.000 1.306 319 C CA -0.567 58.568 59.018 0.194 0.000 1.207 319 C CB 0.954 28.851 27.740 0.262 0.000 1.479 319 C HN 0.536 nan 8.230 nan 0.000 0.469 320 T N 1.532 116.171 114.554 0.141 0.000 2.841 320 T HA 0.709 5.060 4.350 0.001 0.000 0.283 320 T C -0.443 174.338 174.700 0.135 0.000 1.000 320 T CA -0.439 61.734 62.100 0.122 0.000 0.977 320 T CB 1.570 70.487 68.868 0.081 0.000 0.979 320 T HN 0.945 nan 8.240 nan 0.000 0.446 321 V N 3.552 123.558 119.914 0.154 0.000 2.628 321 V HA 0.710 4.830 4.120 0.001 0.000 0.306 321 V C -0.408 175.794 176.094 0.180 0.000 1.045 321 V CA -1.087 61.319 62.300 0.178 0.000 0.905 321 V CB 1.691 33.609 31.823 0.158 0.000 0.997 321 V HN 0.952 nan 8.190 nan 0.000 0.436 322 K N 2.355 122.850 120.400 0.159 0.000 2.501 322 K HA 0.870 5.190 4.320 0.001 0.000 0.252 322 K C -0.733 175.914 176.600 0.079 0.000 0.934 322 K CA -0.679 55.648 56.287 0.066 0.000 0.797 322 K CB 2.293 34.801 32.500 0.015 0.000 1.270 322 K HN 0.750 nan 8.250 nan 0.000 0.431 323 A N 2.523 125.297 122.820 -0.077 0.000 2.492 323 A HA 0.205 4.526 4.320 0.001 0.000 0.254 323 A C 0.191 177.765 177.584 -0.018 0.000 1.091 323 A CA -0.425 51.576 52.037 -0.060 0.000 0.768 323 A CB -0.003 18.818 19.000 -0.297 0.000 1.028 323 A HN 0.766 nan 8.150 nan 0.000 0.498 324 L N 1.246 122.491 121.223 0.036 0.000 2.808 324 L HA 0.382 4.722 4.340 0.001 0.000 0.246 324 L C 0.099 176.979 176.870 0.015 0.000 1.153 324 L CA 0.980 55.832 54.840 0.020 0.000 0.956 324 L CB -0.248 41.832 42.059 0.035 0.000 1.270 324 L HN 0.975 nan 8.230 nan 0.000 0.528 325 D N -2.759 117.652 120.400 0.018 0.000 3.928 325 D HA -0.010 4.630 4.640 0.001 0.000 0.371 325 D C -0.515 175.798 176.300 0.021 0.000 1.603 325 D CA 0.418 54.426 54.000 0.014 0.000 0.908 325 D CB -0.006 40.809 40.800 0.026 0.000 1.483 325 D HN -0.035 nan 8.370 nan 0.000 0.564 326 D N -0.645 119.772 120.400 0.028 0.000 2.398 326 D HA 0.112 4.752 4.640 0.001 0.000 0.210 326 D C 0.277 176.618 176.300 0.068 0.000 1.094 326 D CA 0.399 54.421 54.000 0.036 0.000 0.839 326 D CB 0.606 41.415 40.800 0.015 0.000 0.963 326 D HN 0.277 nan 8.370 nan 0.000 0.506 327 D N -0.489 119.955 120.400 0.072 0.000 2.267 327 D HA 0.125 4.765 4.640 0.001 0.000 0.297 327 D C 0.077 176.434 176.300 0.095 0.000 1.087 327 D CA 0.142 54.187 54.000 0.075 0.000 0.864 327 D CB 0.846 41.669 40.800 0.038 0.000 1.557 327 D HN -0.046 nan 8.370 nan 0.000 0.523 328 R N 0.512 121.066 120.500 0.090 0.000 2.598 328 R HA 0.698 5.039 4.340 0.001 0.000 0.279 328 R C -0.122 176.257 176.300 0.132 0.000 0.984 328 R CA -0.686 55.470 56.100 0.093 0.000 0.999 328 R CB 1.978 32.314 30.300 0.061 0.000 1.114 328 R HN 0.106 nan 8.270 nan 0.000 0.493 329 I N -2.142 118.509 120.570 0.135 0.000 2.828 329 I HA 0.467 4.638 4.170 0.001 0.000 0.302 329 I C -0.795 175.391 176.117 0.115 0.000 1.101 329 I CA -0.954 60.446 61.300 0.166 0.000 1.031 329 I CB 2.403 40.525 38.000 0.203 0.000 1.231 329 I HN 0.553 nan 8.210 nan 0.000 0.427 330 E N 4.018 124.279 120.200 0.102 0.000 2.145 330 E HA 0.579 4.929 4.350 0.001 0.000 0.262 330 E C -1.704 174.929 176.600 0.055 0.000 0.883 330 E CA -0.586 55.843 56.400 0.048 0.000 0.748 330 E CB 1.957 31.672 29.700 0.024 0.000 1.140 330 E HN 0.569 nan 8.360 nan 0.000 0.417 331 V N 5.431 125.353 119.914 0.014 0.000 2.732 331 V HA 0.478 4.598 4.120 0.001 0.000 0.310 331 V C 0.077 176.079 176.094 -0.154 0.000 1.053 331 V CA -0.774 61.533 62.300 0.011 0.000 0.957 331 V CB 1.786 33.671 31.823 0.104 0.000 1.018 331 V HN 0.618 nan 8.190 nan 0.000 0.452 332 I N 2.846 123.365 120.570 -0.084 0.000 2.495 332 I HA 0.347 4.518 4.170 0.001 0.000 0.277 332 I C -0.863 175.266 176.117 0.021 0.000 1.045 332 I CA -0.410 60.832 61.300 -0.098 0.000 1.135 332 I CB 0.801 38.791 38.000 -0.017 0.000 1.241 332 I HN 0.346 nan 8.210 nan 0.000 0.469 333 F N 3.808 123.777 119.950 0.032 0.000 2.512 333 F HA -0.099 4.428 4.527 0.001 0.000 0.406 333 F C 1.562 177.368 175.800 0.010 0.000 0.990 333 F CA 0.302 58.310 58.000 0.013 0.000 1.137 333 F CB -0.330 38.665 39.000 -0.008 0.000 0.960 333 F HN 0.520 nan 8.300 nan 0.000 0.533 334 D N 1.712 122.237 120.400 0.207 0.000 2.354 334 D HA -0.096 4.544 4.640 0.001 0.000 0.216 334 D C 0.243 176.590 176.300 0.078 0.000 0.970 334 D CA 1.330 55.397 54.000 0.111 0.000 0.905 334 D CB 0.205 41.056 40.800 0.084 0.000 0.903 334 D HN 0.662 nan 8.370 nan 0.000 0.508 335 E N -1.812 118.439 120.200 0.084 0.000 2.388 335 E HA 0.244 4.594 4.350 0.001 0.000 0.280 335 E C -2.655 173.955 176.600 0.016 0.000 1.019 335 E CA -1.884 54.533 56.400 0.028 0.000 0.806 335 E CB 1.999 31.689 29.700 -0.017 0.000 1.246 335 E HN -0.205 nan 8.360 nan 0.000 0.443 336 P HA -0.039 nan 4.420 nan 0.000 0.264 336 P C -1.061 176.139 177.300 -0.166 0.000 1.179 336 P CA 0.105 63.190 63.100 -0.024 0.000 0.763 336 P CB 0.434 32.108 31.700 -0.045 0.000 0.806 337 V N 2.734 122.492 119.914 -0.259 0.000 2.513 337 V HA 0.561 4.682 4.120 0.001 0.000 0.299 337 V C 0.270 176.202 176.094 -0.271 0.000 1.035 337 V CA -0.894 61.117 62.300 -0.482 0.000 0.889 337 V CB 1.674 32.747 31.823 -1.250 0.000 0.988 337 V HN 0.618 nan 8.190 nan 0.000 0.440 338 A N 4.061 126.728 122.820 -0.256 0.000 2.354 338 A HA 0.656 4.976 4.320 0.001 0.000 0.281 338 A C 0.997 178.497 177.584 -0.140 0.000 1.174 338 A CA 0.305 52.215 52.037 -0.211 0.000 0.828 338 A CB -0.154 18.686 19.000 -0.267 0.000 1.099 338 A HN 2.356 nan 8.150 nan 0.000 0.516 339 A N 2.238 125.000 122.820 -0.097 0.000 2.519 339 A HA -0.082 4.239 4.320 0.001 0.000 0.297 339 A C 0.273 177.854 177.584 -0.004 0.000 1.472 339 A CA 0.604 52.621 52.037 -0.033 0.000 0.739 339 A CB -2.421 16.571 19.000 -0.014 0.000 1.096 339 A HN 1.609 nan 8.150 nan 0.000 0.414 340 V N 2.061 121.989 119.914 0.022 0.000 2.403 340 V HA 0.223 4.343 4.120 0.001 0.000 0.265 340 V C 1.138 177.270 176.094 0.063 0.000 1.034 340 V CA 0.979 63.319 62.300 0.068 0.000 1.036 340 V CB 0.506 32.441 31.823 0.187 0.000 1.032 340 V HN 0.670 nan 8.190 nan 0.000 0.478 341 T N 9.010 123.596 114.554 0.054 0.000 2.882 341 T HA 0.349 4.699 4.350 0.001 0.000 0.287 341 T C -2.272 172.458 174.700 0.051 0.000 0.992 341 T CA -0.853 61.283 62.100 0.059 0.000 1.076 341 T CB 1.581 70.492 68.868 0.071 0.000 0.961 341 T HN 0.523 nan 8.240 nan 0.000 0.490 342 P HA 0.379 nan 4.420 nan 0.000 0.286 342 P C 0.670 177.984 177.300 0.024 0.000 1.269 342 P CA -0.036 63.083 63.100 0.033 0.000 0.787 342 P CB 1.291 33.010 31.700 0.031 0.000 0.920 343 G N 2.065 110.870 108.800 0.009 0.000 2.376 343 G HA2 -0.164 3.796 3.960 0.001 0.000 0.208 343 G HA3 -0.164 3.796 3.960 0.001 0.000 0.208 343 G C 0.245 175.136 174.900 -0.015 0.000 1.032 343 G CA -0.408 44.685 45.100 -0.013 0.000 0.641 343 G HN 0.543 nan 8.290 nan 0.000 0.503 344 Q N 1.163 120.966 119.800 0.006 0.000 2.443 344 Q HA 0.603 4.943 4.340 0.001 0.000 0.232 344 Q C 0.279 176.259 176.000 -0.034 0.000 1.026 344 Q CA 0.277 56.088 55.803 0.013 0.000 0.924 344 Q CB 1.146 29.916 28.738 0.052 0.000 1.256 344 Q HN 0.392 nan 8.270 nan 0.000 0.519 345 S N 0.030 115.669 115.700 -0.102 0.000 2.646 345 S HA 0.637 5.107 4.470 0.001 0.000 0.276 345 S C -0.638 173.789 174.600 -0.288 0.000 1.222 345 S CA -0.695 57.318 58.200 -0.312 0.000 1.014 345 S CB 1.364 64.135 63.200 -0.716 0.000 0.991 345 S HN 0.599 nan 8.310 nan 0.000 0.533 346 A N 2.065 124.655 122.820 -0.383 0.000 2.360 346 A HA 0.601 4.921 4.320 0.001 0.000 0.309 346 A C -0.699 176.558 177.584 -0.545 0.000 1.311 346 A CA -0.578 51.243 52.037 -0.360 0.000 0.805 346 A CB 0.313 19.137 19.000 -0.294 0.000 1.144 346 A HN 0.568 nan 8.150 nan 0.000 0.486 347 V N 3.385 123.020 119.914 -0.465 0.000 2.432 347 V HA 0.406 4.527 4.120 0.001 0.000 0.275 347 V C -0.617 175.272 176.094 -0.342 0.000 1.043 347 V CA -0.013 62.057 62.300 -0.382 0.000 0.925 347 V CB 0.295 31.952 31.823 -0.276 0.000 0.985 347 V HN 0.639 nan 8.190 nan 0.000 0.466 348 F N 4.453 124.247 119.950 -0.261 0.000 2.422 348 F HA 0.673 5.200 4.527 0.001 0.000 0.333 348 F C -0.225 175.429 175.800 -0.244 0.000 1.095 348 F CA -1.065 56.877 58.000 -0.098 0.000 1.038 348 F CB 0.900 39.914 39.000 0.024 0.000 1.156 348 F HN 0.319 nan 8.300 nan 0.000 0.483 349 Y N 0.607 121.054 120.300 0.246 0.000 2.485 349 Y HA 0.326 4.877 4.550 0.001 0.000 0.345 349 Y C 0.462 176.460 175.900 0.164 0.000 0.998 349 Y CA -0.999 57.209 58.100 0.180 0.000 1.059 349 Y CB 1.569 40.105 38.460 0.126 0.000 1.234 349 Y HN 0.525 nan 8.280 nan 0.000 0.461 350 N N 1.507 120.378 118.700 0.286 0.000 2.535 350 N HA 0.343 5.083 4.740 0.001 0.000 0.294 350 N C 0.220 175.837 175.510 0.179 0.000 1.408 350 N CA 0.834 54.003 53.050 0.198 0.000 0.927 350 N CB 0.142 38.717 38.487 0.147 0.000 1.276 350 N HN 1.060 nan 8.380 nan 0.000 0.505 351 G N 1.154 110.076 108.800 0.202 0.000 2.601 351 G HA2 -0.252 3.708 3.960 0.001 0.000 0.224 351 G HA3 -0.252 3.708 3.960 0.001 0.000 0.224 351 G C 0.522 175.515 174.900 0.157 0.000 1.171 351 G CA 0.095 45.280 45.100 0.142 0.000 1.009 351 G HN 0.293 nan 8.290 nan 0.000 0.589 352 E N -0.172 120.105 120.200 0.127 0.000 2.130 352 E HA -0.020 4.331 4.350 0.001 0.000 0.196 352 E C 1.418 178.136 176.600 0.198 0.000 0.998 352 E CA 1.330 57.808 56.400 0.130 0.000 0.806 352 E CB -0.189 29.576 29.700 0.108 0.000 0.738 352 E HN 0.438 nan 8.360 nan 0.000 0.459 353 V N 0.420 120.462 119.914 0.213 0.000 2.881 353 V HA -0.007 4.114 4.120 0.001 0.000 0.303 353 V C 0.304 176.600 176.094 0.338 0.000 1.070 353 V CA -0.529 61.912 62.300 0.235 0.000 1.074 353 V CB 1.244 33.170 31.823 0.172 0.000 1.012 353 V HN 0.302 nan 8.190 nan 0.000 0.482 354 C N 5.780 125.224 119.300 0.240 0.000 2.293 354 C HA 0.517 4.978 4.460 0.001 0.000 0.323 354 C C 1.206 176.191 174.990 -0.009 0.000 1.240 354 C CA -0.668 58.350 59.018 0.000 0.000 1.497 354 C CB -0.838 26.906 27.740 0.008 0.000 2.171 354 C HN 0.897 nan 8.230 nan 0.000 0.465 355 L N 5.469 126.688 121.223 -0.007 0.000 2.552 355 L HA 0.318 4.658 4.340 0.001 0.000 0.227 355 L C 1.435 178.361 176.870 0.093 0.000 1.146 355 L CA 0.920 55.833 54.840 0.121 0.000 0.858 355 L CB -1.245 40.953 42.059 0.233 0.000 0.969 355 L HN 1.080 nan 8.230 nan 0.000 0.451 356 G N -0.650 108.122 108.800 -0.046 0.000 2.675 356 G HA2 0.104 4.064 3.960 0.001 0.000 0.686 356 G HA3 0.104 4.064 3.960 0.001 0.000 0.686 356 G C -0.224 174.594 174.900 -0.138 0.000 1.215 356 G CA -0.657 44.406 45.100 -0.063 0.000 0.777 356 G HN 0.331 nan 8.290 nan 0.000 0.638 357 G N -0.528 108.335 108.800 0.104 0.000 3.341 357 G HA2 1.170 5.130 3.960 0.001 0.000 0.177 357 G HA3 1.170 5.130 3.960 0.001 0.000 0.177 357 G C 0.500 175.390 174.900 -0.016 0.000 1.236 357 G CA 0.475 45.527 45.100 -0.081 0.000 0.888 357 G HN 2.418 nan 8.290 nan 0.000 0.644 358 G N -1.514 107.263 108.800 -0.040 0.000 2.368 358 G HA2 0.417 4.377 3.960 0.001 0.000 0.293 358 G HA3 0.417 4.377 3.960 0.001 0.000 0.293 358 G C -1.518 173.409 174.900 0.045 0.000 1.467 358 G CA -0.874 44.320 45.100 0.157 0.000 0.804 358 G HN 0.528 nan 8.290 nan 0.000 0.535 359 I N 1.041 121.665 120.570 0.090 0.000 2.371 359 I HA 0.278 4.449 4.170 0.001 0.000 0.290 359 I C 0.407 176.541 176.117 0.029 0.000 1.028 359 I CA -0.387 60.935 61.300 0.037 0.000 1.345 359 I CB 1.100 39.127 38.000 0.045 0.000 1.407 359 I HN 0.231 nan 8.210 nan 0.000 0.501 360 I N 6.321 126.897 120.570 0.010 0.000 2.529 360 I HA 0.032 4.202 4.170 0.001 0.000 0.284 360 I C 0.760 176.890 176.117 0.021 0.000 1.082 360 I CA 0.566 61.879 61.300 0.021 0.000 1.406 360 I CB 0.885 38.897 38.000 0.020 0.000 1.405 360 I HN 0.651 nan 8.210 nan 0.000 0.548 361 E N 3.431 123.646 120.200 0.024 0.000 2.665 361 E HA 0.171 4.522 4.350 0.001 0.000 0.225 361 E C -0.543 176.068 176.600 0.018 0.000 0.922 361 E CA 0.157 56.569 56.400 0.019 0.000 1.242 361 E CB 0.740 30.451 29.700 0.018 0.000 1.197 361 E HN 0.577 nan 8.360 nan 0.000 0.581 362 Q N 0.645 120.456 119.800 0.019 0.000 2.280 362 Q HA 0.323 4.663 4.340 0.001 0.000 0.259 362 Q C -0.816 175.190 176.000 0.010 0.000 0.964 362 Q CA -0.719 55.092 55.803 0.014 0.000 0.844 362 Q CB 1.561 30.304 28.738 0.009 0.000 1.334 362 Q HN 0.111 nan 8.270 nan 0.000 0.423 363 R N 2.313 122.824 120.500 0.017 0.000 2.527 363 R HA 0.566 4.906 4.340 0.001 0.000 0.236 363 R C -0.399 175.901 176.300 0.001 0.000 1.257 363 R CA -0.657 55.458 56.100 0.026 0.000 1.088 363 R CB 0.587 30.916 30.300 0.049 0.000 1.396 363 R HN 0.457 nan 8.270 nan 0.000 0.571 364 L N 0.832 122.060 121.223 0.009 0.000 2.470 364 L HA 0.352 4.693 4.340 0.001 0.000 0.256 364 L C -2.413 174.465 176.870 0.013 0.000 1.357 364 L CA -2.197 52.638 54.840 -0.009 0.000 0.902 364 L CB 1.819 43.845 42.059 -0.056 0.000 1.121 364 L HN 0.443 nan 8.230 nan 0.000 0.507 365 P HA -0.193 nan 4.420 nan 0.000 0.265 365 P C -0.281 177.016 177.300 -0.004 0.000 1.151 365 P CA 0.319 63.419 63.100 0.000 0.000 0.755 365 P CB 0.434 32.131 31.700 -0.005 0.000 0.756 366 L N 7.193 128.405 121.223 -0.018 0.000 2.416 366 L HA 0.289 4.630 4.340 0.001 0.000 0.272 366 L C -1.939 174.913 176.870 -0.030 0.000 1.161 366 L CA -1.665 53.159 54.840 -0.027 0.000 0.845 366 L CB -0.282 41.742 42.059 -0.058 0.000 1.119 366 L HN 0.308 nan 8.230 nan 0.000 0.464 367 P HA 0.156 nan 4.420 nan 0.000 0.259 367 P C -0.613 176.670 177.300 -0.028 0.000 1.211 367 P CA 0.255 63.343 63.100 -0.021 0.000 0.810 367 P CB 0.010 31.701 31.700 -0.014 0.000 0.815 368 V N 0.000 119.897 119.914 -0.028 0.000 2.409 368 V HA 0.000 4.120 4.120 0.001 0.000 0.244 368 V CA 0.000 62.282 62.300 -0.030 0.000 1.235 368 V CB 0.000 31.812 31.823 -0.019 0.000 1.184 368 V HN 0.000 nan 8.190 nan 0.000 0.556