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 2dw7_1_I DATA FIRST_RESID 2 DATA SEQUENCE SVRIVDVREI TKPISSPIRN AYIDFTKMTT SLVAVVTDVV REGKRVVGYG DATA SEQUENCE FNSNGRYGQG GLIRERFASR ILEADPKKLL NEAGDNLDPD KVWAAMMINE DATA SEQUENCE KPGGHGERSV AVGTIDMAVW DAVAKIAGKP LFRLLAERHG VKANPRVFVY DATA SEQUENCE AAGGYYYPGK GLSMLRGEMR GYLDRGYNVV KMKIGGAPIE EDRMRIEAVL DATA SEQUENCE EEIGKDAQLA VDANGRFNLE TGIAYAKMLR DYPLFWYEEV GDPLDYALQA DATA SEQUENCE ALAEFYPGPM ATGENLFSHQ DARNLLRYGG MRPDRDWLQF DCALSYGLCE DATA SEQUENCE YQRTLEVLKT HGWSPSRCIP HGGHQMSLNI AAGLGLGGNE SYPDLFQPYG DATA SEQUENCE GFPDGVRVEN GHITMPDLPG IGFEGKSDLY KEMKALAE 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.596 174.600 -0.006 0.000 1.055 2 S CA 0.000 58.197 58.200 -0.004 0.000 1.107 2 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 3 V N 5.567 125.475 119.914 -0.009 0.000 2.516 3 V HA 0.577 4.697 4.120 -0.000 0.000 0.271 3 V C -0.128 175.959 176.094 -0.012 0.000 0.992 3 V CA -0.590 61.703 62.300 -0.012 0.000 0.857 3 V CB 1.157 32.970 31.823 -0.018 0.000 1.047 3 V HN 0.745 nan 8.190 nan 0.000 0.455 4 R N 4.041 124.535 120.500 -0.010 0.000 2.513 4 R HA 0.651 4.991 4.340 -0.000 0.000 0.301 4 R C -0.947 175.348 176.300 -0.008 0.000 0.968 4 R CA -0.769 55.326 56.100 -0.008 0.000 0.872 4 R CB 1.632 31.929 30.300 -0.005 0.000 1.177 4 R HN 0.650 nan 8.270 nan 0.000 0.444 5 I N 5.645 126.210 120.570 -0.008 0.000 2.505 5 I HA -0.032 4.138 4.170 -0.000 0.000 0.287 5 I C 1.034 177.150 176.117 -0.001 0.000 1.104 5 I CA -0.090 61.207 61.300 -0.006 0.000 1.387 5 I CB 1.336 39.334 38.000 -0.004 0.000 1.404 5 I HN 0.567 nan 8.210 nan 0.000 0.528 6 V N 4.358 124.271 119.914 -0.001 0.000 2.725 6 V HA 0.066 4.186 4.120 -0.000 0.000 0.247 6 V C 0.380 176.478 176.094 0.006 0.000 1.058 6 V CA 1.188 63.490 62.300 0.003 0.000 1.080 6 V CB -0.371 31.455 31.823 0.004 0.000 0.713 6 V HN 0.761 nan 8.190 nan 0.000 0.465 7 D N -1.806 118.599 120.400 0.007 0.000 2.654 7 D HA 0.443 5.083 4.640 -0.000 0.000 0.231 7 D C -1.526 174.784 176.300 0.017 0.000 1.239 7 D CA -0.142 53.866 54.000 0.013 0.000 0.790 7 D CB 2.803 43.613 40.800 0.017 0.000 1.480 7 D HN -0.174 nan 8.370 nan 0.000 0.442 8 V N 3.051 122.980 119.914 0.026 0.000 2.398 8 V HA 0.484 4.604 4.120 -0.000 0.000 0.282 8 V C -0.116 176.004 176.094 0.043 0.000 1.014 8 V CA -0.615 61.706 62.300 0.036 0.000 0.838 8 V CB 1.267 33.115 31.823 0.042 0.000 1.018 8 V HN 0.349 nan 8.190 nan 0.000 0.432 9 R N 2.872 123.403 120.500 0.052 0.000 2.460 9 R HA 0.645 4.984 4.340 -0.000 0.000 0.303 9 R C -0.521 175.820 176.300 0.068 0.000 0.968 9 R CA -0.600 55.535 56.100 0.057 0.000 0.889 9 R CB 2.221 32.559 30.300 0.063 0.000 1.123 9 R HN 0.595 nan 8.270 nan 0.000 0.455 10 E N 3.271 123.503 120.200 0.054 0.000 2.248 10 E HA 0.321 4.670 4.350 -0.000 0.000 0.267 10 E C -1.592 175.030 176.600 0.036 0.000 0.877 10 E CA -0.953 55.477 56.400 0.051 0.000 0.759 10 E CB 1.946 31.672 29.700 0.044 0.000 1.182 10 E HN 0.373 nan 8.360 nan 0.000 0.418 11 I N 2.489 123.078 120.570 0.032 0.000 2.534 11 I HA 0.292 4.461 4.170 -0.000 0.000 0.288 11 I C -1.014 175.096 176.117 -0.012 0.000 1.077 11 I CA -0.197 61.111 61.300 0.013 0.000 1.051 11 I CB 2.143 40.153 38.000 0.017 0.000 1.234 11 I HN 0.294 nan 8.210 nan 0.000 0.425 12 T N 7.322 121.863 114.554 -0.021 0.000 2.728 12 T HA 0.413 4.763 4.350 -0.000 0.000 0.296 12 T C -0.241 174.417 174.700 -0.069 0.000 0.940 12 T CA -0.568 61.505 62.100 -0.045 0.000 1.013 12 T CB 0.192 69.045 68.868 -0.025 0.000 0.912 12 T HN 0.302 nan 8.240 nan 0.000 0.484 13 K N 4.950 125.265 120.400 -0.142 0.000 2.182 13 K HA 0.441 4.761 4.320 -0.000 0.000 0.262 13 K C -2.553 173.950 176.600 -0.161 0.000 0.957 13 K CA -2.549 53.635 56.287 -0.172 0.000 0.842 13 K CB 1.747 34.041 32.500 -0.343 0.000 1.099 13 K HN 0.320 nan 8.250 nan 0.000 0.438 14 P HA 0.342 nan 4.420 nan 0.000 0.284 14 P C -0.065 177.223 177.300 -0.020 0.000 1.253 14 P CA -0.457 62.624 63.100 -0.032 0.000 0.800 14 P CB 0.540 32.242 31.700 0.003 0.000 0.961 15 I N -0.986 119.593 120.570 0.016 0.000 2.860 15 I HA 0.257 4.427 4.170 -0.000 0.000 0.331 15 I C -0.282 175.933 176.117 0.163 0.000 1.447 15 I CA -0.596 60.763 61.300 0.097 0.000 0.847 15 I CB 0.399 38.465 38.000 0.110 0.000 1.938 15 I HN 0.006 nan 8.210 nan 0.000 0.564 16 S N 1.296 117.065 115.700 0.115 0.000 2.654 16 S HA 0.910 5.379 4.470 -0.000 0.000 0.283 16 S C 0.120 174.782 174.600 0.104 0.000 1.180 16 S CA -0.393 57.889 58.200 0.137 0.000 1.021 16 S CB 1.837 65.102 63.200 0.108 0.000 1.018 16 S HN 0.665 nan 8.310 nan 0.000 0.532 17 S N -0.842 114.933 115.700 0.125 0.000 2.633 17 S HA 0.415 4.885 4.470 -0.000 0.000 0.271 17 S C -3.195 171.474 174.600 0.115 0.000 1.112 17 S CA -1.122 57.140 58.200 0.103 0.000 0.828 17 S CB 0.542 63.778 63.200 0.060 0.000 1.086 17 S HN 0.337 nan 8.310 nan 0.000 0.461 18 P HA 0.139 nan 4.420 nan 0.000 0.234 18 P C 0.197 177.483 177.300 -0.022 0.000 1.162 18 P CA 0.297 63.332 63.100 -0.108 0.000 0.759 18 P CB -0.251 31.129 31.700 -0.533 0.000 0.813 19 I N 0.321 120.976 120.570 0.141 0.000 2.880 19 I HA -0.078 4.091 4.170 -0.000 0.000 0.296 19 I C 1.025 177.281 176.117 0.232 0.000 1.220 19 I CA 0.808 62.167 61.300 0.099 0.000 1.435 19 I CB -0.158 37.586 38.000 -0.427 0.000 1.339 19 I HN -0.093 nan 8.210 nan 0.000 0.583 20 R N 4.704 125.450 120.500 0.410 0.000 2.566 20 R HA 0.461 4.801 4.340 -0.000 0.000 0.271 20 R C -1.325 175.385 176.300 0.683 0.000 1.071 20 R CA -0.719 55.688 56.100 0.512 0.000 0.915 20 R CB 1.075 31.577 30.300 0.336 0.000 1.228 20 R HN 0.791 nan 8.270 nan 0.000 0.449 21 N N 2.372 121.441 118.700 0.614 0.000 2.906 21 N HA 0.381 5.121 4.740 -0.000 0.000 0.327 21 N C 0.412 176.147 175.510 0.374 0.000 1.344 21 N CA -0.351 53.002 53.050 0.505 0.000 0.823 21 N CB 0.744 39.489 38.487 0.429 0.000 1.351 21 N HN 0.491 nan 8.380 nan 0.000 0.604 22 A N -1.847 121.147 122.820 0.289 0.000 2.178 22 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 22 A C 1.094 178.754 177.584 0.127 0.000 1.157 22 A CA 1.024 53.156 52.037 0.158 0.000 0.689 22 A CB -1.031 18.019 19.000 0.084 0.000 0.787 22 A HN 0.709 nan 8.150 nan 0.000 0.465 23 Y N -2.321 118.035 120.300 0.092 0.000 2.638 23 Y HA 0.473 5.023 4.550 -0.000 0.000 0.275 23 Y C 0.113 176.059 175.900 0.077 0.000 1.122 23 Y CA -0.154 57.985 58.100 0.064 0.000 1.266 23 Y CB 0.770 39.256 38.460 0.042 0.000 1.317 23 Y HN 0.154 nan 8.280 nan 0.000 0.501 24 I N -0.050 120.719 120.570 0.331 0.000 3.074 24 I HA 0.240 4.410 4.170 -0.000 0.000 0.310 24 I C -1.446 174.835 176.117 0.274 0.000 1.153 24 I CA -0.780 60.653 61.300 0.222 0.000 0.993 24 I CB 2.058 40.105 38.000 0.077 0.000 1.237 24 I HN 0.040 nan 8.210 nan 0.000 0.443 25 D N 1.354 121.871 120.400 0.196 0.000 2.457 25 D HA 0.376 5.016 4.640 -0.000 0.000 0.240 25 D C -0.651 175.788 176.300 0.231 0.000 1.041 25 D CA -0.430 53.752 54.000 0.304 0.000 0.861 25 D CB 0.988 41.903 40.800 0.191 0.000 1.394 25 D HN 0.225 nan 8.370 nan 0.000 0.473 26 F N 0.798 120.781 119.950 0.055 0.000 2.701 26 F HA 0.205 4.732 4.527 -0.000 0.000 0.295 26 F C 2.069 177.892 175.800 0.039 0.000 1.165 26 F CA -0.355 57.661 58.000 0.026 0.000 1.399 26 F CB -0.429 38.575 39.000 0.007 0.000 0.996 26 F HN 0.381 nan 8.300 nan 0.000 0.513 27 T N -0.167 114.490 114.554 0.171 0.000 2.685 27 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 27 T C 1.808 176.573 174.700 0.109 0.000 1.034 27 T CA 1.547 63.716 62.100 0.115 0.000 1.149 27 T CB -0.018 68.898 68.868 0.080 0.000 0.860 27 T HN 0.068 nan 8.240 nan 0.000 0.449 28 K N -0.075 120.405 120.400 0.133 0.000 2.478 28 K HA 0.332 4.652 4.320 -0.000 0.000 0.205 28 K C 0.057 176.802 176.600 0.241 0.000 1.033 28 K CA -0.333 56.048 56.287 0.156 0.000 1.091 28 K CB 0.202 32.783 32.500 0.134 0.000 0.844 28 K HN 0.277 nan 8.250 nan 0.000 0.507 29 M N 2.370 122.047 119.600 0.128 0.000 2.251 29 M HA -0.026 4.454 4.480 -0.000 0.000 0.343 29 M C 0.244 176.554 176.300 0.016 0.000 1.245 29 M CA 0.651 55.917 55.300 -0.058 0.000 1.061 29 M CB 0.209 32.756 32.600 -0.089 0.000 1.723 29 M HN 0.324 nan 8.290 nan 0.000 0.449 30 T N 0.813 115.359 114.554 -0.013 0.000 2.804 30 T HA 0.859 5.208 4.350 -0.000 0.000 0.290 30 T C -0.491 174.151 174.700 -0.098 0.000 1.099 30 T CA -0.802 61.288 62.100 -0.016 0.000 1.011 30 T CB 1.813 70.719 68.868 0.063 0.000 1.291 30 T HN 0.739 nan 8.240 nan 0.000 0.523 31 T N -0.352 114.120 114.554 -0.138 0.000 2.889 31 T HA 0.581 4.931 4.350 -0.000 0.000 0.315 31 T C -1.377 173.239 174.700 -0.141 0.000 1.291 31 T CA -0.533 61.474 62.100 -0.156 0.000 1.028 31 T CB 1.717 70.434 68.868 -0.251 0.000 1.235 31 T HN 0.731 nan 8.240 nan 0.000 0.491 32 S N 2.468 118.130 115.700 -0.063 0.000 2.457 32 S HA 0.625 5.095 4.470 -0.000 0.000 0.289 32 S C -0.719 173.895 174.600 0.024 0.000 1.163 32 S CA -0.580 57.605 58.200 -0.025 0.000 1.078 32 S CB 0.811 64.013 63.200 0.003 0.000 0.987 32 S HN 0.622 nan 8.310 nan 0.000 0.482 33 L N 5.973 127.210 121.223 0.023 0.000 2.272 33 L HA 0.633 4.973 4.340 -0.000 0.000 0.289 33 L C -0.901 176.043 176.870 0.123 0.000 1.032 33 L CA -0.152 54.753 54.840 0.107 0.000 0.810 33 L CB 0.947 43.056 42.059 0.083 0.000 1.205 33 L HN 0.410 nan 8.230 nan 0.000 0.422 34 V N 4.214 124.228 119.914 0.167 0.000 2.715 34 V HA 0.915 5.035 4.120 -0.000 0.000 0.310 34 V C -0.154 176.068 176.094 0.215 0.000 1.054 34 V CA -0.435 61.957 62.300 0.152 0.000 0.928 34 V CB 1.667 33.558 31.823 0.112 0.000 1.007 34 V HN 0.936 nan 8.190 nan 0.000 0.437 35 A N 3.274 126.191 122.820 0.162 0.000 2.359 35 A HA 0.786 5.105 4.320 -0.000 0.000 0.303 35 A C -1.139 176.457 177.584 0.021 0.000 1.066 35 A CA -0.471 51.636 52.037 0.115 0.000 0.730 35 A CB 1.730 20.849 19.000 0.198 0.000 1.211 35 A HN 0.627 nan 8.150 nan 0.000 0.439 36 V N 3.870 123.755 119.914 -0.048 0.000 2.294 36 V HA 0.253 4.373 4.120 -0.000 0.000 0.272 36 V C -0.108 175.943 176.094 -0.071 0.000 1.027 36 V CA -0.391 61.889 62.300 -0.032 0.000 0.823 36 V CB 1.126 32.941 31.823 -0.013 0.000 1.030 36 V HN 0.637 nan 8.190 nan 0.000 0.457 37 V N 5.397 125.288 119.914 -0.038 0.000 2.432 37 V HA 0.425 4.545 4.120 -0.000 0.000 0.271 37 V C 0.788 176.870 176.094 -0.021 0.000 1.046 37 V CA -0.094 62.186 62.300 -0.033 0.000 0.945 37 V CB 1.355 33.175 31.823 -0.005 0.000 0.992 37 V HN 0.976 nan 8.190 nan 0.000 0.471 38 T N 0.296 114.836 114.554 -0.023 0.000 2.922 38 T HA 0.429 4.779 4.350 -0.000 0.000 0.281 38 T C 0.405 175.102 174.700 -0.005 0.000 1.005 38 T CA -0.206 61.886 62.100 -0.014 0.000 0.982 38 T CB 1.792 70.649 68.868 -0.019 0.000 1.158 38 T HN 0.659 nan 8.240 nan 0.000 0.566 39 D N -0.702 119.696 120.400 -0.003 0.000 2.398 39 D HA 0.134 4.774 4.640 -0.000 0.000 0.210 39 D C 0.353 176.655 176.300 0.003 0.000 1.094 39 D CA -0.277 53.724 54.000 0.002 0.000 0.839 39 D CB -0.476 40.325 40.800 0.002 0.000 0.963 39 D HN 0.348 nan 8.370 nan 0.000 0.506 40 V N 1.077 120.991 119.914 -0.000 0.000 2.686 40 V HA 0.212 4.332 4.120 -0.000 0.000 0.295 40 V C 0.320 176.418 176.094 0.007 0.000 1.055 40 V CA -0.751 61.550 62.300 0.001 0.000 1.050 40 V CB 1.803 33.624 31.823 -0.004 0.000 0.984 40 V HN 0.112 nan 8.190 nan 0.000 0.482 41 V N 6.825 126.744 119.914 0.009 0.000 2.448 41 V HA 0.672 4.792 4.120 -0.000 0.000 0.295 41 V C -0.483 175.620 176.094 0.014 0.000 1.025 41 V CA -0.550 61.758 62.300 0.015 0.000 0.859 41 V CB 1.471 33.303 31.823 0.016 0.000 0.988 41 V HN 0.877 nan 8.190 nan 0.000 0.431 42 R N 4.743 125.255 120.500 0.019 0.000 2.502 42 R HA 0.443 4.783 4.340 -0.000 0.000 0.300 42 R C -0.207 176.106 176.300 0.023 0.000 0.984 42 R CA -0.527 55.583 56.100 0.017 0.000 0.882 42 R CB 1.389 31.698 30.300 0.015 0.000 1.180 42 R HN 0.943 nan 8.270 nan 0.000 0.444 43 E N 1.154 121.365 120.200 0.019 0.000 2.759 43 E HA -0.179 4.171 4.350 -0.000 0.000 0.280 43 E C 0.638 177.254 176.600 0.026 0.000 1.009 43 E CA 1.272 57.685 56.400 0.022 0.000 0.849 43 E CB -1.463 28.252 29.700 0.025 0.000 1.415 43 E HN 1.131 nan 8.360 nan 0.000 0.412 44 G N -0.545 108.269 108.800 0.023 0.000 2.186 44 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.266 44 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.266 44 G C 0.287 175.207 174.900 0.032 0.000 0.982 44 G CA 0.980 46.095 45.100 0.025 0.000 0.670 44 G HN 0.465 nan 8.290 nan 0.000 0.533 45 K N 0.341 120.764 120.400 0.038 0.000 2.324 45 K HA 0.478 4.798 4.320 -0.000 0.000 0.253 45 K C 0.919 177.547 176.600 0.047 0.000 0.932 45 K CA -1.197 55.120 56.287 0.050 0.000 0.799 45 K CB 0.953 33.492 32.500 0.066 0.000 1.154 45 K HN 0.401 nan 8.250 nan 0.000 0.425 46 R N 2.143 122.671 120.500 0.047 0.000 2.537 46 R HA 0.119 4.458 4.340 -0.000 0.000 0.280 46 R C -0.250 176.075 176.300 0.042 0.000 1.058 46 R CA -0.570 55.552 56.100 0.037 0.000 1.057 46 R CB 0.733 31.053 30.300 0.033 0.000 0.973 46 R HN 0.254 nan 8.270 nan 0.000 0.438 47 V N 4.659 124.588 119.914 0.024 0.000 2.488 47 V HA 0.293 4.413 4.120 -0.000 0.000 0.277 47 V C -0.551 175.531 176.094 -0.020 0.000 1.046 47 V CA -0.267 62.043 62.300 0.017 0.000 0.986 47 V CB 1.191 33.020 31.823 0.009 0.000 0.989 47 V HN 0.629 nan 8.190 nan 0.000 0.475 48 V N 6.493 126.373 119.914 -0.057 0.000 2.531 48 V HA 0.692 4.812 4.120 -0.000 0.000 0.301 48 V C 0.667 176.517 176.094 -0.406 0.000 1.034 48 V CA -0.054 62.112 62.300 -0.223 0.000 0.865 48 V CB 1.602 33.266 31.823 -0.266 0.000 0.995 48 V HN 1.065 nan 8.190 nan 0.000 0.424 49 G N 2.934 111.533 108.800 -0.335 0.000 2.377 49 G HA2 0.604 4.564 3.960 -0.000 0.000 0.299 49 G HA3 0.604 4.564 3.960 -0.000 0.000 0.299 49 G C -1.494 173.212 174.900 -0.323 0.000 1.150 49 G CA -0.099 44.876 45.100 -0.208 0.000 0.847 49 G HN 0.466 nan 8.290 nan 0.000 0.501 50 Y N -0.297 120.175 120.300 0.288 0.000 2.570 50 Y HA 0.778 5.328 4.550 -0.000 0.000 0.345 50 Y C 0.678 176.774 175.900 0.326 0.000 1.014 50 Y CA -0.421 57.845 58.100 0.277 0.000 1.063 50 Y CB 2.818 41.444 38.460 0.278 0.000 1.272 50 Y HN 0.917 nan 8.280 nan 0.000 0.477 51 G N 0.670 109.692 108.800 0.370 0.000 2.547 51 G HA2 0.592 4.551 3.960 -0.000 0.000 0.291 51 G HA3 0.592 4.551 3.960 -0.000 0.000 0.291 51 G C -2.162 172.842 174.900 0.173 0.000 1.471 51 G CA -0.870 44.345 45.100 0.191 0.000 0.798 51 G HN 0.665 nan 8.290 nan 0.000 0.504 52 F N -0.729 119.237 119.950 0.027 0.000 2.693 52 F HA 0.656 5.183 4.527 -0.000 0.000 0.309 52 F C -0.661 175.101 175.800 -0.063 0.000 1.129 52 F CA -1.643 56.345 58.000 -0.021 0.000 0.948 52 F CB 1.295 40.295 39.000 0.001 0.000 1.315 52 F HN 0.610 nan 8.300 nan 0.000 0.447 53 N N 1.206 119.982 118.700 0.126 0.000 2.509 53 N HA 0.312 5.052 4.740 -0.000 0.000 0.287 53 N C -0.589 175.002 175.510 0.136 0.000 1.121 53 N CA -0.401 52.661 53.050 0.021 0.000 0.977 53 N CB 1.706 40.176 38.487 -0.028 0.000 1.167 53 N HN 0.705 nan 8.380 nan 0.000 0.476 54 S N 0.897 116.671 115.700 0.124 0.000 2.572 54 S HA -0.031 4.439 4.470 -0.000 0.000 0.267 54 S C 0.733 175.349 174.600 0.028 0.000 1.361 54 S CA -0.664 57.659 58.200 0.205 0.000 1.009 54 S CB -0.004 63.407 63.200 0.352 0.000 0.888 54 S HN 0.806 nan 8.310 nan 0.000 0.553 55 N N 0.118 118.725 118.700 -0.155 0.000 2.399 55 N HA 0.278 5.017 4.740 -0.000 0.000 0.250 55 N C 0.961 176.393 175.510 -0.131 0.000 1.272 55 N CA 0.343 53.152 53.050 -0.402 0.000 0.928 55 N CB 0.435 38.142 38.487 -1.300 0.000 1.158 55 N HN 0.840 nan 8.380 nan 0.000 0.463 56 G N 0.637 109.285 108.800 -0.252 0.000 2.308 56 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.221 56 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.221 56 G C 0.841 175.507 174.900 -0.390 0.000 1.032 56 G CA -0.090 44.828 45.100 -0.303 0.000 0.623 56 G HN 0.581 nan 8.290 nan 0.000 0.506 57 R N -0.131 120.199 120.500 -0.282 0.000 2.397 57 R HA 0.489 4.829 4.340 -0.000 0.000 0.241 57 R C 0.361 176.632 176.300 -0.049 0.000 0.914 57 R CA -0.104 55.893 56.100 -0.171 0.000 1.071 57 R CB -0.406 29.792 30.300 -0.171 0.000 1.116 57 R HN 0.782 nan 8.270 nan 0.000 0.524 58 Y N -0.916 119.308 120.300 -0.126 0.000 2.504 58 Y HA -0.199 4.351 4.550 -0.000 0.000 0.025 58 Y C 1.109 176.949 175.900 -0.100 0.000 1.700 58 Y CA 0.473 58.506 58.100 -0.111 0.000 1.420 58 Y CB -1.239 37.160 38.460 -0.101 0.000 2.066 58 Y HN 0.225 nan 8.280 nan 0.000 0.254 59 G N 0.662 109.520 108.800 0.097 0.000 2.606 59 G HA2 0.451 4.411 3.960 -0.000 0.000 0.252 59 G HA3 0.451 4.411 3.960 -0.000 0.000 0.252 59 G C -0.249 174.663 174.900 0.020 0.000 1.206 59 G CA -0.559 44.553 45.100 0.021 0.000 0.861 59 G HN 0.415 nan 8.290 nan 0.000 0.561 60 Q N 0.919 120.720 119.800 0.002 0.000 2.217 60 Q HA 0.194 4.534 4.340 -0.000 0.000 0.340 60 Q C 1.660 177.673 176.000 0.023 0.000 0.893 60 Q CA -0.005 55.802 55.803 0.006 0.000 1.142 60 Q CB 0.742 29.472 28.738 -0.013 0.000 1.288 60 Q HN 0.712 nan 8.270 nan 0.000 0.426 61 G N 0.839 109.648 108.800 0.016 0.000 2.491 61 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.218 61 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.218 61 G C 1.263 176.179 174.900 0.027 0.000 1.180 61 G CA 1.107 46.219 45.100 0.020 0.000 0.774 61 G HN 0.515 nan 8.290 nan 0.000 0.562 62 G N 0.918 109.728 108.800 0.017 0.000 2.514 62 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 62 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 62 G C 1.846 176.765 174.900 0.032 0.000 1.198 62 G CA 0.969 46.076 45.100 0.013 0.000 0.780 62 G HN 0.424 nan 8.290 nan 0.000 0.565 63 L N 0.141 121.404 121.223 0.066 0.000 2.042 63 L HA -0.060 4.280 4.340 -0.000 0.000 0.210 63 L C 2.936 179.941 176.870 0.225 0.000 1.076 63 L CA 0.777 55.703 54.840 0.144 0.000 0.749 63 L CB -0.386 41.813 42.059 0.234 0.000 0.893 63 L HN 0.232 nan 8.230 nan 0.000 0.432 64 I N -0.759 119.924 120.570 0.188 0.000 2.163 64 I HA -0.324 3.846 4.170 -0.000 0.000 0.243 64 I C 2.829 179.017 176.117 0.119 0.000 1.085 64 I CA 1.234 62.648 61.300 0.190 0.000 1.347 64 I CB -0.337 37.725 38.000 0.103 0.000 1.044 64 I HN 0.245 nan 8.210 nan 0.000 0.408 65 R N 1.346 121.884 120.500 0.064 0.000 2.092 65 R HA -0.175 4.165 4.340 -0.000 0.000 0.226 65 R C 1.923 178.219 176.300 -0.006 0.000 1.140 65 R CA 1.827 57.943 56.100 0.026 0.000 0.910 65 R CB -0.190 30.119 30.300 0.015 0.000 0.822 65 R HN 0.295 nan 8.270 nan 0.000 0.433 66 E N -0.623 119.561 120.200 -0.026 0.000 2.515 66 E HA -0.115 4.234 4.350 -0.000 0.000 0.201 66 E C 1.504 178.021 176.600 -0.140 0.000 1.071 66 E CA 0.392 56.753 56.400 -0.066 0.000 0.880 66 E CB 0.284 29.950 29.700 -0.057 0.000 0.828 66 E HN 0.235 nan 8.360 nan 0.000 0.540 67 R N -1.605 118.771 120.500 -0.206 0.000 3.709 67 R HA 0.075 4.414 4.340 -0.000 0.000 0.111 67 R C 1.041 177.025 176.300 -0.527 0.000 0.726 67 R CA 0.052 55.887 56.100 -0.441 0.000 1.576 67 R CB 0.002 29.873 30.300 -0.716 0.000 1.644 67 R HN 0.048 nan 8.270 nan 0.000 0.456 68 F N 1.069 121.001 119.950 -0.030 0.000 2.188 68 F HA 0.281 4.808 4.527 -0.000 0.000 0.289 68 F C 2.418 178.201 175.800 -0.029 0.000 1.082 68 F CA 1.124 59.100 58.000 -0.039 0.000 1.282 68 F CB -0.623 38.352 39.000 -0.042 0.000 1.060 68 F HN 0.133 nan 8.300 nan 0.000 0.493 69 A N 0.500 123.409 122.820 0.148 0.000 1.940 69 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 69 A C 2.366 179.971 177.584 0.035 0.000 1.176 69 A CA 2.309 54.396 52.037 0.082 0.000 0.631 69 A CB -1.277 17.763 19.000 0.066 0.000 0.814 69 A HN 0.435 nan 8.150 nan 0.000 0.446 70 S N 0.300 116.001 115.700 0.002 0.000 2.354 70 S HA -0.267 4.203 4.470 -0.000 0.000 0.219 70 S C 1.972 176.562 174.600 -0.016 0.000 1.035 70 S CA 1.334 59.523 58.200 -0.019 0.000 1.037 70 S CB -0.665 62.507 63.200 -0.048 0.000 0.956 70 S HN 0.598 nan 8.310 nan 0.000 0.428 71 R N 1.118 121.600 120.500 -0.030 0.000 2.134 71 R HA -0.112 4.228 4.340 -0.000 0.000 0.248 71 R C 2.380 178.682 176.300 0.003 0.000 1.143 71 R CA 2.096 58.183 56.100 -0.020 0.000 0.957 71 R CB -0.928 29.356 30.300 -0.027 0.000 0.867 71 R HN 0.519 nan 8.270 nan 0.000 0.441 72 I N 0.656 121.239 120.570 0.021 0.000 2.099 72 I HA -0.330 3.840 4.170 -0.000 0.000 0.239 72 I C 2.290 178.414 176.117 0.011 0.000 1.066 72 I CA 1.530 62.843 61.300 0.022 0.000 1.324 72 I CB -0.438 37.582 38.000 0.034 0.000 1.037 72 I HN 0.148 nan 8.210 nan 0.000 0.401 73 L N 0.305 121.534 121.223 0.010 0.000 2.079 73 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 73 L C 1.910 178.781 176.870 0.000 0.000 1.081 73 L CA 1.379 56.222 54.840 0.005 0.000 0.752 73 L CB -0.652 41.411 42.059 0.006 0.000 0.896 73 L HN 0.302 nan 8.230 nan 0.000 0.433 74 E N 0.277 120.476 120.200 -0.003 0.000 2.485 74 E HA 0.155 4.505 4.350 -0.000 0.000 0.194 74 E C 0.539 177.136 176.600 -0.005 0.000 1.098 74 E CA -0.174 56.222 56.400 -0.007 0.000 0.878 74 E CB 0.152 29.844 29.700 -0.014 0.000 0.939 74 E HN 0.437 nan 8.360 nan 0.000 0.503 75 A N 1.205 124.024 122.820 -0.002 0.000 2.261 75 A HA 0.227 4.547 4.320 -0.000 0.000 0.323 75 A C -0.351 177.232 177.584 -0.000 0.000 1.107 75 A CA -0.698 51.339 52.037 -0.000 0.000 0.883 75 A CB 0.793 19.795 19.000 0.003 0.000 1.251 75 A HN 0.002 nan 8.150 nan 0.000 0.502 76 D N 0.767 121.167 120.400 0.000 0.000 2.422 76 D HA 0.227 4.867 4.640 -0.000 0.000 0.227 76 D C -1.347 174.952 176.300 -0.001 0.000 1.190 76 D CA -1.947 52.053 54.000 -0.001 0.000 0.905 76 D CB 0.654 41.454 40.800 -0.000 0.000 1.034 76 D HN 0.152 nan 8.370 nan 0.000 0.507 77 P HA -0.222 nan 4.420 nan 0.000 0.220 77 P C 0.941 178.237 177.300 -0.006 0.000 1.142 77 P CA 0.981 64.078 63.100 -0.005 0.000 0.801 77 P CB 0.403 32.100 31.700 -0.005 0.000 0.764 78 K N -0.069 120.328 120.400 -0.005 0.000 2.243 78 K HA 0.007 4.327 4.320 -0.000 0.000 0.201 78 K C 1.674 178.271 176.600 -0.005 0.000 1.051 78 K CA 0.725 57.008 56.287 -0.005 0.000 0.970 78 K CB 0.069 32.567 32.500 -0.004 0.000 0.755 78 K HN 0.176 nan 8.250 nan 0.000 0.465 79 K N 0.726 121.124 120.400 -0.003 0.000 2.437 79 K HA 0.141 4.461 4.320 -0.000 0.000 0.198 79 K C 0.682 177.282 176.600 -0.001 0.000 1.024 79 K CA 0.110 56.396 56.287 -0.000 0.000 1.148 79 K CB 0.419 32.922 32.500 0.003 0.000 0.860 79 K HN 0.053 nan 8.250 nan 0.000 0.515 80 L N 1.132 122.351 121.223 -0.007 0.000 3.066 80 L HA 0.302 4.641 4.340 -0.000 0.000 0.265 80 L C -0.263 176.591 176.870 -0.026 0.000 1.232 80 L CA -0.138 54.694 54.840 -0.012 0.000 1.031 80 L CB 0.197 42.249 42.059 -0.011 0.000 1.379 80 L HN 0.030 nan 8.230 nan 0.000 0.563 81 L N -0.312 120.897 121.223 -0.023 0.000 2.313 81 L HA 0.453 4.793 4.340 -0.000 0.000 0.268 81 L C 0.070 176.921 176.870 -0.031 0.000 1.010 81 L CA -1.006 53.816 54.840 -0.030 0.000 0.814 81 L CB 1.197 43.242 42.059 -0.023 0.000 1.304 81 L HN 0.138 nan 8.230 nan 0.000 0.441 82 N N -0.441 118.237 118.700 -0.036 0.000 2.322 82 N HA 0.030 4.770 4.740 -0.000 0.000 0.270 82 N C 0.543 176.040 175.510 -0.021 0.000 1.286 82 N CA -0.457 52.573 53.050 -0.032 0.000 0.948 82 N CB 0.295 38.761 38.487 -0.035 0.000 1.164 82 N HN 0.457 nan 8.380 nan 0.000 0.551 83 E N -0.530 119.660 120.200 -0.017 0.000 2.038 83 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 83 E C 1.809 178.402 176.600 -0.011 0.000 1.000 83 E CA 1.950 58.343 56.400 -0.012 0.000 0.803 83 E CB -0.853 28.840 29.700 -0.010 0.000 0.750 83 E HN 0.728 nan 8.360 nan 0.000 0.448 84 A N -0.028 122.785 122.820 -0.011 0.000 2.125 84 A HA 0.024 4.344 4.320 -0.000 0.000 0.219 84 A C 1.877 179.455 177.584 -0.011 0.000 1.156 84 A CA 1.652 53.683 52.037 -0.010 0.000 0.671 84 A CB -0.575 18.419 19.000 -0.009 0.000 0.794 84 A HN 0.375 nan 8.150 nan 0.000 0.459 85 G N -0.039 108.753 108.800 -0.014 0.000 2.155 85 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.257 85 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.257 85 G C 0.243 175.135 174.900 -0.014 0.000 0.983 85 G CA 1.144 46.236 45.100 -0.014 0.000 0.676 85 G HN 0.904 nan 8.290 nan 0.000 0.528 86 D N -0.975 119.416 120.400 -0.015 0.000 2.369 86 D HA 0.293 4.933 4.640 -0.000 0.000 0.211 86 D C 0.689 176.978 176.300 -0.019 0.000 1.077 86 D CA 0.080 54.071 54.000 -0.014 0.000 0.842 86 D CB 0.410 41.204 40.800 -0.011 0.000 0.947 86 D HN 0.286 nan 8.370 nan 0.000 0.509 87 N N -0.293 118.392 118.700 -0.026 0.000 2.823 87 N HA 0.285 5.024 4.740 -0.000 0.000 0.251 87 N C -1.542 173.937 175.510 -0.052 0.000 1.392 87 N CA -0.635 52.393 53.050 -0.037 0.000 0.864 87 N CB 1.489 39.953 38.487 -0.038 0.000 1.481 87 N HN -0.066 nan 8.380 nan 0.000 0.508 88 L N 0.782 121.964 121.223 -0.069 0.000 2.439 88 L HA 0.225 4.565 4.340 -0.000 0.000 0.269 88 L C 0.355 177.147 176.870 -0.131 0.000 1.179 88 L CA -0.164 54.623 54.840 -0.088 0.000 0.828 88 L CB 0.390 42.392 42.059 -0.096 0.000 1.106 88 L HN 0.468 nan 8.230 nan 0.000 0.467 89 D N 3.507 123.835 120.400 -0.121 0.000 2.412 89 D HA 0.217 4.857 4.640 -0.000 0.000 0.224 89 D C -1.831 174.348 176.300 -0.202 0.000 1.093 89 D CA -2.077 51.834 54.000 -0.149 0.000 0.850 89 D CB 1.887 42.639 40.800 -0.080 0.000 1.046 89 D HN 0.139 nan 8.370 nan 0.000 0.507 90 P HA -0.155 nan 4.420 nan 0.000 0.215 90 P C 0.816 178.031 177.300 -0.141 0.000 1.163 90 P CA 1.093 63.880 63.100 -0.521 0.000 0.894 90 P CB 0.372 31.233 31.700 -1.399 0.000 0.791 91 D N -0.712 119.642 120.400 -0.077 0.000 2.178 91 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 91 D C 1.756 178.135 176.300 0.131 0.000 0.980 91 D CA 1.111 55.150 54.000 0.065 0.000 0.842 91 D CB -0.223 40.588 40.800 0.018 0.000 0.948 91 D HN 0.313 nan 8.370 nan 0.000 0.472 92 K N 0.460 120.891 120.400 0.052 0.000 2.103 92 K HA -0.040 4.280 4.320 -0.000 0.000 0.204 92 K C 2.245 178.894 176.600 0.083 0.000 1.052 92 K CA 0.404 56.729 56.287 0.062 0.000 0.945 92 K CB 0.122 32.632 32.500 0.015 0.000 0.722 92 K HN -0.020 nan 8.250 nan 0.000 0.443 93 V N 0.143 120.095 119.914 0.063 0.000 2.358 93 V HA -0.221 3.898 4.120 -0.000 0.000 0.246 93 V C 1.893 178.066 176.094 0.131 0.000 1.047 93 V CA 1.516 63.855 62.300 0.065 0.000 1.035 93 V CB -0.492 31.343 31.823 0.022 0.000 0.658 93 V HN 0.450 nan 8.190 nan 0.000 0.452 94 W N 1.034 122.343 121.300 0.015 0.000 2.333 94 W HA -0.233 4.427 4.660 -0.000 0.000 0.316 94 W C 2.542 179.100 176.519 0.065 0.000 1.215 94 W CA 2.464 59.844 57.345 0.059 0.000 1.278 94 W CB -0.408 29.098 29.460 0.077 0.000 1.154 94 W HN 0.187 nan 8.180 nan 0.000 0.486 95 A N 0.449 123.501 122.820 0.387 0.000 1.940 95 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 95 A C 2.039 179.660 177.584 0.061 0.000 1.176 95 A CA 2.656 54.837 52.037 0.239 0.000 0.631 95 A CB -1.556 17.578 19.000 0.223 0.000 0.814 95 A HN 0.428 nan 8.150 nan 0.000 0.446 96 A N 0.552 123.407 122.820 0.058 0.000 1.883 96 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 96 A C 2.270 179.857 177.584 0.004 0.000 1.186 96 A CA 2.079 54.132 52.037 0.027 0.000 0.624 96 A CB -0.678 18.340 19.000 0.031 0.000 0.822 96 A HN 0.856 nan 8.150 nan 0.000 0.444 97 M N -3.155 116.436 119.600 -0.014 0.000 2.595 97 M HA 0.230 4.710 4.480 -0.000 0.000 0.248 97 M C 1.077 177.417 176.300 0.066 0.000 1.119 97 M CA 0.984 56.317 55.300 0.054 0.000 1.079 97 M CB 0.006 32.675 32.600 0.114 0.000 1.472 97 M HN 0.117 nan 8.290 nan 0.000 0.501 98 M N 2.118 121.635 119.600 -0.139 0.000 2.428 98 M HA 0.377 4.857 4.480 -0.000 0.000 0.239 98 M C 0.609 176.881 176.300 -0.045 0.000 1.121 98 M CA -0.375 54.827 55.300 -0.164 0.000 1.019 98 M CB -0.581 31.682 32.600 -0.562 0.000 1.485 98 M HN 0.419 nan 8.290 nan 0.000 0.484 99 I N -0.368 120.190 120.570 -0.021 0.000 2.692 99 I HA 0.108 4.278 4.170 -0.000 0.000 0.284 99 I C 0.182 176.291 176.117 -0.013 0.000 1.159 99 I CA 0.015 61.311 61.300 -0.006 0.000 1.423 99 I CB 0.206 38.202 38.000 -0.005 0.000 1.380 99 I HN 0.291 nan 8.210 nan 0.000 0.580 100 N N 2.206 120.903 118.700 -0.004 0.000 2.776 100 N HA -0.165 4.575 4.740 -0.000 0.000 0.250 100 N C -0.815 174.692 175.510 -0.005 0.000 1.112 100 N CA 0.917 53.960 53.050 -0.011 0.000 0.733 100 N CB -0.979 37.489 38.487 -0.030 0.000 1.097 100 N HN 0.721 nan 8.380 nan 0.000 0.558 101 E N 0.979 121.192 120.200 0.020 0.000 2.129 101 E HA 0.261 4.611 4.350 -0.000 0.000 0.268 101 E C 0.327 176.957 176.600 0.050 0.000 0.900 101 E CA -0.349 56.082 56.400 0.052 0.000 0.755 101 E CB 1.285 31.047 29.700 0.105 0.000 1.117 101 E HN 0.143 nan 8.360 nan 0.000 0.410 102 K N 3.273 123.697 120.400 0.040 0.000 2.258 102 K HA 0.205 4.525 4.320 -0.000 0.000 0.264 102 K C -1.801 174.818 176.600 0.032 0.000 1.007 102 K CA -1.202 55.103 56.287 0.030 0.000 0.941 102 K CB 0.138 32.647 32.500 0.015 0.000 0.966 102 K HN 0.311 nan 8.250 nan 0.000 0.480 103 P HA 0.025 nan 4.420 nan 0.000 0.271 103 P C 0.299 177.551 177.300 -0.080 0.000 1.233 103 P CA 0.033 63.145 63.100 0.020 0.000 0.789 103 P CB 0.401 32.125 31.700 0.040 0.000 0.951 104 G N -0.232 108.434 108.800 -0.224 0.000 2.750 104 G HA2 0.173 4.133 3.960 -0.000 0.000 0.228 104 G HA3 0.173 4.133 3.960 -0.000 0.000 0.228 104 G C 0.449 175.057 174.900 -0.488 0.000 1.367 104 G CA 0.310 45.187 45.100 -0.372 0.000 0.871 104 G HN 1.273 nan 8.290 nan 0.000 0.560 105 G N -1.551 107.083 108.800 -0.278 0.000 2.323 105 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.292 105 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.292 105 G C 0.281 175.147 174.900 -0.057 0.000 1.040 105 G CA 1.059 46.088 45.100 -0.119 0.000 0.942 105 G HN 1.662 nan 8.290 nan 0.000 0.506 106 H N 0.309 119.501 119.070 0.203 0.000 3.092 106 H HA 0.508 5.064 4.556 -0.000 0.000 0.263 106 H C 0.949 176.420 175.328 0.239 0.000 1.611 106 H CA 0.669 56.892 56.048 0.292 0.000 1.457 106 H CB 0.321 30.310 29.762 0.378 0.000 1.731 106 H HN 0.826 nan 8.280 nan 0.000 0.532 107 G N 0.502 109.406 108.800 0.172 0.000 2.733 107 G HA2 0.336 4.296 3.960 -0.000 0.000 0.297 107 G HA3 0.336 4.296 3.960 -0.000 0.000 0.297 107 G C -0.254 174.590 174.900 -0.094 0.000 1.452 107 G CA -0.478 44.624 45.100 0.005 0.000 0.940 107 G HN 0.243 nan 8.290 nan 0.000 0.547 108 E N -0.682 119.382 120.200 -0.226 0.000 4.079 108 E HA -0.329 4.021 4.350 -0.000 0.000 0.188 108 E C 2.195 178.693 176.600 -0.170 0.000 1.200 108 E CA 2.785 59.090 56.400 -0.157 0.000 2.371 108 E CB -0.950 28.718 29.700 -0.053 0.000 1.792 108 E HN 0.819 nan 8.360 nan 0.000 0.412 109 R N 1.176 121.624 120.500 -0.087 0.000 2.152 109 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 109 R C 1.977 178.027 176.300 -0.417 0.000 1.117 109 R CA 2.178 58.224 56.100 -0.089 0.000 0.981 109 R CB -0.529 29.884 30.300 0.188 0.000 0.870 109 R HN 0.373 nan 8.270 nan 0.000 0.451 110 S N 0.426 115.775 115.700 -0.585 0.000 2.423 110 S HA -0.032 4.438 4.470 -0.000 0.000 0.231 110 S C 1.953 176.156 174.600 -0.662 0.000 1.014 110 S CA 0.882 58.371 58.200 -1.185 0.000 0.965 110 S CB -0.106 62.458 63.200 -1.060 0.000 0.785 110 S HN 0.177 nan 8.310 nan 0.000 0.495 111 V N 2.025 121.657 119.914 -0.469 0.000 2.407 111 V HA 0.070 4.189 4.120 -0.000 0.000 0.245 111 V C 3.094 179.048 176.094 -0.234 0.000 1.041 111 V CA 1.283 63.392 62.300 -0.319 0.000 1.040 111 V CB -1.351 30.306 31.823 -0.277 0.000 0.671 111 V HN 0.625 nan 8.190 nan 0.000 0.455 112 A N 0.234 122.905 122.820 -0.248 0.000 1.858 112 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 112 A C 2.380 179.798 177.584 -0.276 0.000 1.190 112 A CA 2.172 54.090 52.037 -0.199 0.000 0.617 112 A CB -0.775 18.143 19.000 -0.138 0.000 0.827 112 A HN 0.307 nan 8.150 nan 0.000 0.443 113 V N 0.045 119.668 119.914 -0.485 0.000 2.343 113 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 113 V C 2.812 178.861 176.094 -0.076 0.000 1.051 113 V CA 1.918 63.993 62.300 -0.376 0.000 1.036 113 V CB -1.514 30.072 31.823 -0.394 0.000 0.654 113 V HN 0.628 nan 8.190 nan 0.000 0.451 114 G N -1.014 107.736 108.800 -0.082 0.000 2.418 114 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.217 114 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.217 114 G C 1.792 176.699 174.900 0.011 0.000 1.158 114 G CA 1.593 46.708 45.100 0.026 0.000 0.771 114 G HN 0.454 nan 8.290 nan 0.000 0.545 115 T N 0.119 114.647 114.554 -0.042 0.000 2.904 115 T HA 0.056 4.406 4.350 -0.000 0.000 0.267 115 T C 2.434 177.154 174.700 0.033 0.000 1.059 115 T CA 0.809 62.892 62.100 -0.028 0.000 1.137 115 T CB -0.201 68.649 68.868 -0.030 0.000 0.879 115 T HN 0.260 nan 8.240 nan 0.000 0.467 116 I N 1.341 121.931 120.570 0.034 0.000 2.252 116 I HA -0.102 4.068 4.170 -0.000 0.000 0.245 116 I C 2.567 178.758 176.117 0.123 0.000 1.102 116 I CA 1.577 62.918 61.300 0.068 0.000 1.385 116 I CB -0.392 37.634 38.000 0.043 0.000 1.064 116 I HN 0.387 nan 8.210 nan 0.000 0.414 117 D N 1.199 121.702 120.400 0.171 0.000 2.149 117 D HA -0.274 4.366 4.640 -0.000 0.000 0.198 117 D C 2.242 178.759 176.300 0.361 0.000 0.990 117 D CA 1.484 55.673 54.000 0.315 0.000 0.839 117 D CB -0.008 41.050 40.800 0.430 0.000 0.948 117 D HN 0.305 nan 8.370 nan 0.000 0.460 118 M N 0.467 120.199 119.600 0.220 0.000 2.080 118 M HA -0.196 4.284 4.480 -0.000 0.000 0.260 118 M C 2.283 178.727 176.300 0.240 0.000 1.068 118 M CA 2.059 57.469 55.300 0.184 0.000 1.109 118 M CB -0.108 32.515 32.600 0.039 0.000 1.342 118 M HN 0.089 nan 8.290 nan 0.000 0.405 119 A N -0.514 122.425 122.820 0.199 0.000 1.902 119 A HA -0.110 4.209 4.320 -0.000 0.000 0.217 119 A C 2.033 179.699 177.584 0.136 0.000 1.181 119 A CA 1.784 53.928 52.037 0.178 0.000 0.623 119 A CB -1.103 17.974 19.000 0.128 0.000 0.818 119 A HN 0.436 nan 8.150 nan 0.000 0.443 120 V N -2.091 117.900 119.914 0.129 0.000 2.287 120 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 120 V C 2.275 178.384 176.094 0.025 0.000 1.053 120 V CA 2.008 64.332 62.300 0.039 0.000 1.027 120 V CB -1.059 30.759 31.823 -0.008 0.000 0.646 120 V HN 0.803 nan 8.190 nan 0.000 0.447 121 W N 0.258 121.592 121.300 0.057 0.000 2.374 121 W HA -0.138 4.522 4.660 -0.000 0.000 0.288 121 W C 2.344 178.880 176.519 0.029 0.000 1.218 121 W CA 1.538 58.909 57.345 0.043 0.000 1.245 121 W CB -0.451 29.036 29.460 0.044 0.000 1.126 121 W HN 0.320 nan 8.180 nan 0.000 0.545 122 D N -0.138 120.417 120.400 0.259 0.000 2.117 122 D HA -0.187 4.453 4.640 -0.000 0.000 0.197 122 D C 2.188 178.551 176.300 0.105 0.000 0.987 122 D CA 2.087 56.187 54.000 0.167 0.000 0.829 122 D CB -0.435 40.486 40.800 0.202 0.000 0.961 122 D HN -0.005 nan 8.370 nan 0.000 0.460 123 A N -0.078 122.782 122.820 0.067 0.000 1.858 123 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 123 A C 2.582 180.171 177.584 0.009 0.000 1.190 123 A CA 1.733 53.779 52.037 0.015 0.000 0.617 123 A CB -0.972 18.018 19.000 -0.017 0.000 0.827 123 A HN 0.191 nan 8.150 nan 0.000 0.443 124 V N 0.059 119.970 119.914 -0.006 0.000 2.282 124 V HA -0.324 3.796 4.120 -0.000 0.000 0.249 124 V C 3.056 179.161 176.094 0.018 0.000 1.057 124 V CA 2.219 64.500 62.300 -0.031 0.000 1.032 124 V CB -1.339 30.410 31.823 -0.122 0.000 0.645 124 V HN 0.634 nan 8.190 nan 0.000 0.447 125 A N -0.513 122.349 122.820 0.069 0.000 1.902 125 A HA -0.229 4.090 4.320 -0.000 0.000 0.217 125 A C 2.295 179.892 177.584 0.022 0.000 1.181 125 A CA 1.961 54.033 52.037 0.059 0.000 0.623 125 A CB -0.420 18.625 19.000 0.076 0.000 0.818 125 A HN 0.568 nan 8.150 nan 0.000 0.443 126 K N -0.432 119.984 120.400 0.027 0.000 2.057 126 K HA -0.008 4.311 4.320 -0.000 0.000 0.207 126 K C 1.740 178.346 176.600 0.009 0.000 1.049 126 K CA 1.461 57.760 56.287 0.019 0.000 0.931 126 K CB -0.340 32.178 32.500 0.031 0.000 0.714 126 K HN 0.513 nan 8.250 nan 0.000 0.440 127 I N 0.886 121.459 120.570 0.005 0.000 2.361 127 I HA -0.232 3.937 4.170 -0.000 0.000 0.251 127 I C 2.129 178.244 176.117 -0.004 0.000 1.133 127 I CA 0.905 62.204 61.300 -0.002 0.000 1.413 127 I CB -0.195 37.798 38.000 -0.012 0.000 1.073 127 I HN 0.138 nan 8.210 nan 0.000 0.424 128 A N 0.234 123.052 122.820 -0.003 0.000 2.251 128 A HA 0.297 4.616 4.320 -0.000 0.000 0.209 128 A C 1.833 179.412 177.584 -0.009 0.000 1.187 128 A CA 0.675 52.709 52.037 -0.004 0.000 0.823 128 A CB -0.550 18.451 19.000 0.001 0.000 0.846 128 A HN 0.525 nan 8.150 nan 0.000 0.486 129 G N -0.327 108.468 108.800 -0.009 0.000 2.225 129 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.267 129 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.267 129 G C 0.074 174.954 174.900 -0.032 0.000 1.024 129 G CA 0.933 46.024 45.100 -0.015 0.000 0.784 129 G HN 0.630 nan 8.290 nan 0.000 0.507 130 K N -0.483 119.891 120.400 -0.044 0.000 2.400 130 K HA 0.550 4.870 4.320 -0.000 0.000 0.246 130 K C -3.014 173.510 176.600 -0.127 0.000 0.995 130 K CA -2.382 53.851 56.287 -0.089 0.000 0.840 130 K CB 2.366 34.813 32.500 -0.089 0.000 1.293 130 K HN -0.102 nan 8.250 nan 0.000 0.445 131 P HA 0.027 nan 4.420 nan 0.000 0.276 131 P C 0.435 177.546 177.300 -0.315 0.000 1.230 131 P CA -0.384 62.524 63.100 -0.321 0.000 0.776 131 P CB 0.587 31.899 31.700 -0.647 0.000 0.888 132 L N 5.153 126.307 121.223 -0.114 0.000 2.051 132 L HA -0.224 4.116 4.340 -0.000 0.000 0.214 132 L C 1.804 178.664 176.870 -0.017 0.000 1.076 132 L CA 2.154 56.988 54.840 -0.010 0.000 0.758 132 L CB -1.563 40.526 42.059 0.050 0.000 0.890 132 L HN 0.442 nan 8.230 nan 0.000 0.433 133 F N -1.333 118.608 119.950 -0.015 0.000 2.269 133 F HA -0.064 4.463 4.527 -0.000 0.000 0.301 133 F C 2.209 178.009 175.800 0.001 0.000 1.082 133 F CA 0.853 58.839 58.000 -0.024 0.000 1.360 133 F CB -0.886 38.096 39.000 -0.031 0.000 1.041 133 F HN -0.067 nan 8.300 nan 0.000 0.512 134 R N 0.907 121.069 120.500 -0.563 0.000 2.073 134 R HA -0.021 4.318 4.340 -0.000 0.000 0.229 134 R C 2.248 178.494 176.300 -0.091 0.000 1.120 134 R CA 1.177 57.092 56.100 -0.308 0.000 0.967 134 R CB -1.317 28.718 30.300 -0.443 0.000 0.862 134 R HN 0.403 nan 8.270 nan 0.000 0.436 135 L N 1.227 122.401 121.223 -0.081 0.000 2.083 135 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 135 L C 2.143 179.077 176.870 0.106 0.000 1.083 135 L CA 1.474 56.332 54.840 0.029 0.000 0.752 135 L CB -0.547 41.551 42.059 0.064 0.000 0.899 135 L HN 0.099 nan 8.230 nan 0.000 0.433 136 L N -1.038 120.245 121.223 0.100 0.000 2.027 136 L HA -0.191 4.149 4.340 -0.000 0.000 0.206 136 L C 2.629 179.593 176.870 0.158 0.000 1.074 136 L CA 1.314 56.230 54.840 0.126 0.000 0.745 136 L CB -0.701 41.361 42.059 0.006 0.000 0.898 136 L HN 0.389 nan 8.230 nan 0.000 0.433 137 A N -0.381 122.501 122.820 0.104 0.000 1.908 137 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 137 A C 2.089 179.753 177.584 0.134 0.000 1.181 137 A CA 1.886 53.989 52.037 0.109 0.000 0.627 137 A CB -0.544 18.520 19.000 0.106 0.000 0.818 137 A HN 0.469 nan 8.150 nan 0.000 0.445 138 E N -0.602 119.661 120.200 0.104 0.000 2.023 138 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 138 E C 2.293 178.956 176.600 0.105 0.000 1.003 138 E CA 1.443 57.894 56.400 0.086 0.000 0.809 138 E CB -0.208 29.526 29.700 0.058 0.000 0.755 138 E HN 0.551 nan 8.360 nan 0.000 0.449 139 R N -0.324 120.259 120.500 0.140 0.000 2.170 139 R HA -0.150 4.189 4.340 -0.000 0.000 0.242 139 R C 1.666 177.993 176.300 0.044 0.000 1.145 139 R CA 1.246 57.413 56.100 0.113 0.000 0.984 139 R CB -0.213 30.195 30.300 0.179 0.000 0.869 139 R HN 0.282 nan 8.270 nan 0.000 0.455 140 H N -1.435 117.666 119.070 0.052 0.000 2.551 140 H HA 0.221 4.777 4.556 -0.000 0.000 0.271 140 H C 0.778 176.127 175.328 0.036 0.000 0.984 140 H CA 0.556 56.630 56.048 0.042 0.000 1.164 140 H CB 0.918 30.706 29.762 0.044 0.000 1.437 140 H HN 0.356 nan 8.280 nan 0.000 0.550 141 G N 1.009 109.885 108.800 0.125 0.000 2.298 141 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.287 141 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.287 141 G C 0.041 174.993 174.900 0.086 0.000 1.075 141 G CA 0.492 45.641 45.100 0.081 0.000 0.960 141 G HN 0.557 nan 8.290 nan 0.000 0.502 142 V N -4.671 115.302 119.914 0.099 0.000 3.160 142 V HA 0.934 5.054 4.120 -0.000 0.000 0.310 142 V C -0.489 175.650 176.094 0.075 0.000 1.181 142 V CA -1.984 60.364 62.300 0.081 0.000 1.047 142 V CB 2.187 34.062 31.823 0.086 0.000 1.068 142 V HN 0.132 nan 8.190 nan 0.000 0.441 143 K N 1.860 122.299 120.400 0.065 0.000 2.183 143 K HA 0.796 5.116 4.320 -0.000 0.000 0.274 143 K C 0.335 176.984 176.600 0.082 0.000 1.009 143 K CA 0.098 56.426 56.287 0.069 0.000 0.888 143 K CB 1.543 34.076 32.500 0.056 0.000 1.078 143 K HN 1.170 nan 8.250 nan 0.000 0.459 144 A N 2.802 125.691 122.820 0.115 0.000 2.364 144 A HA 0.160 4.480 4.320 -0.000 0.000 0.258 144 A C 0.178 177.824 177.584 0.103 0.000 1.131 144 A CA 0.000 52.127 52.037 0.150 0.000 0.800 144 A CB 0.107 19.300 19.000 0.322 0.000 1.086 144 A HN 0.740 nan 8.150 nan 0.000 0.508 145 N N -0.494 118.240 118.700 0.057 0.000 2.629 145 N HA 0.251 4.991 4.740 -0.000 0.000 0.277 145 N C -2.563 172.880 175.510 -0.111 0.000 1.188 145 N CA -1.417 51.633 53.050 0.000 0.000 0.835 145 N CB 1.805 40.298 38.487 0.010 0.000 1.420 145 N HN 0.230 nan 8.380 nan 0.000 0.542 146 P HA -0.033 nan 4.420 nan 0.000 0.239 146 P C 0.001 177.178 177.300 -0.205 0.000 1.184 146 P CA 0.321 63.235 63.100 -0.311 0.000 0.760 146 P CB 0.389 31.983 31.700 -0.178 0.000 0.884 147 R N 0.759 121.197 120.500 -0.104 0.000 2.207 147 R HA 0.421 4.761 4.340 -0.000 0.000 0.334 147 R C -1.127 175.193 176.300 0.033 0.000 1.013 147 R CA -0.265 55.814 56.100 -0.035 0.000 0.858 147 R CB 0.533 30.825 30.300 -0.015 0.000 1.094 147 R HN -0.197 nan 8.270 nan 0.000 0.457 148 V N 6.223 126.151 119.914 0.024 0.000 2.588 148 V HA 0.303 4.423 4.120 -0.000 0.000 0.304 148 V C -0.473 175.624 176.094 0.004 0.000 1.042 148 V CA -0.935 61.386 62.300 0.036 0.000 0.877 148 V CB 1.424 33.206 31.823 -0.069 0.000 0.996 148 V HN 0.682 nan 8.190 nan 0.000 0.425 149 F N 6.711 126.569 119.950 -0.153 0.000 2.484 149 F HA 0.590 5.117 4.527 -0.000 0.000 0.360 149 F C 0.025 175.692 175.800 -0.222 0.000 1.101 149 F CA 0.013 57.726 58.000 -0.478 0.000 1.251 149 F CB 0.923 39.729 39.000 -0.322 0.000 1.132 149 F HN 0.405 nan 8.300 nan 0.000 0.570 150 V N 4.552 123.794 119.914 -1.120 0.000 2.925 150 V HA 0.611 4.731 4.120 -0.000 0.000 0.311 150 V C -1.550 174.078 176.094 -0.777 0.000 1.104 150 V CA -1.029 60.816 62.300 -0.759 0.000 0.954 150 V CB 1.113 32.797 31.823 -0.231 0.000 1.022 150 V HN 0.896 nan 8.190 nan 0.000 0.427 151 Y N 1.804 121.752 120.300 -0.585 0.000 2.536 151 Y HA 0.965 5.515 4.550 -0.000 0.000 0.347 151 Y C -0.082 175.506 175.900 -0.521 0.000 1.000 151 Y CA -1.056 56.780 58.100 -0.440 0.000 1.051 151 Y CB 1.762 39.928 38.460 -0.489 0.000 1.259 151 Y HN 1.063 nan 8.280 nan 0.000 0.468 152 A N 2.342 124.718 122.820 -0.739 0.000 2.289 152 A HA 0.783 5.103 4.320 -0.000 0.000 0.298 152 A C -0.436 176.701 177.584 -0.745 0.000 1.208 152 A CA -0.181 51.123 52.037 -1.223 0.000 0.845 152 A CB -0.424 17.502 19.000 -1.791 0.000 1.125 152 A HN 1.304 nan 8.150 nan 0.000 0.517 153 A N 2.351 124.781 122.820 -0.649 0.000 2.303 153 A HA 0.848 5.167 4.320 -0.000 0.000 0.320 153 A C 0.552 178.103 177.584 -0.056 0.000 1.192 153 A CA 0.260 52.178 52.037 -0.198 0.000 0.821 153 A CB 0.822 19.810 19.000 -0.021 0.000 1.188 153 A HN 2.027 nan 8.150 nan 0.000 0.492 154 G N 0.420 109.203 108.800 -0.029 0.000 2.929 154 G HA2 0.545 4.505 3.960 -0.000 0.000 0.123 154 G HA3 0.545 4.505 3.960 -0.000 0.000 0.123 154 G C 0.650 175.520 174.900 -0.050 0.000 1.212 154 G CA 0.637 45.813 45.100 0.125 0.000 1.238 154 G HN 2.178 nan 8.290 nan 0.000 0.617 155 G N -0.509 108.323 108.800 0.053 0.000 2.273 155 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.280 155 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.280 155 G C 0.148 174.924 174.900 -0.208 0.000 1.047 155 G CA 0.825 45.879 45.100 -0.077 0.000 0.869 155 G HN 0.747 nan 8.290 nan 0.000 0.502 156 Y N -1.427 118.820 120.300 -0.089 0.000 2.299 156 Y HA 0.512 5.062 4.550 -0.000 0.000 0.335 156 Y C 1.061 176.921 175.900 -0.066 0.000 1.287 156 Y CA -0.379 57.683 58.100 -0.063 0.000 1.424 156 Y CB 0.517 38.979 38.460 0.004 0.000 1.326 156 Y HN 0.228 nan 8.280 nan 0.000 0.567 157 Y N 0.947 121.423 120.300 0.294 0.000 2.316 157 Y HA 0.251 4.801 4.550 -0.000 0.000 0.331 157 Y C -0.618 175.450 175.900 0.281 0.000 1.083 157 Y CA -0.288 57.947 58.100 0.225 0.000 1.206 157 Y CB 0.291 38.855 38.460 0.173 0.000 1.195 157 Y HN 0.423 nan 8.280 nan 0.000 0.497 158 Y N 5.118 125.551 120.300 0.222 0.000 2.477 158 Y HA 0.446 4.996 4.550 -0.000 0.000 0.347 158 Y C -2.458 173.508 175.900 0.111 0.000 0.981 158 Y CA -3.066 55.115 58.100 0.135 0.000 1.033 158 Y CB 1.970 40.474 38.460 0.073 0.000 1.245 158 Y HN 0.419 nan 8.280 nan 0.000 0.455 159 P HA 0.143 nan 4.420 nan 0.000 0.262 159 P C 0.493 177.836 177.300 0.073 0.000 1.199 159 P CA 1.543 64.597 63.100 -0.077 0.000 0.763 159 P CB 0.552 32.132 31.700 -0.199 0.000 0.790 160 G N 2.396 111.254 108.800 0.097 0.000 2.159 160 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.256 160 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.256 160 G C 0.159 175.140 174.900 0.136 0.000 0.977 160 G CA 0.092 45.256 45.100 0.108 0.000 0.652 160 G HN 0.714 nan 8.290 nan 0.000 0.531 161 K N 0.801 121.309 120.400 0.180 0.000 2.276 161 K HA 0.561 4.881 4.320 -0.000 0.000 0.285 161 K C 0.982 177.645 176.600 0.104 0.000 1.062 161 K CA 0.217 56.592 56.287 0.147 0.000 0.918 161 K CB 0.281 32.899 32.500 0.197 0.000 1.055 161 K HN 0.289 nan 8.250 nan 0.000 0.477 162 G N 2.660 111.497 108.800 0.063 0.000 2.705 162 G HA2 0.222 4.182 3.960 -0.000 0.000 0.299 162 G HA3 0.222 4.182 3.960 -0.000 0.000 0.299 162 G C 0.819 175.735 174.900 0.027 0.000 1.315 162 G CA -0.768 44.361 45.100 0.049 0.000 1.045 162 G HN 0.631 nan 8.290 nan 0.000 0.517 163 L N 0.368 121.604 121.223 0.021 0.000 2.079 163 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 163 L C 3.290 180.154 176.870 -0.009 0.000 1.081 163 L CA 1.885 56.728 54.840 0.004 0.000 0.752 163 L CB -0.668 41.394 42.059 0.005 0.000 0.896 163 L HN 0.678 nan 8.230 nan 0.000 0.433 164 S N 0.313 116.009 115.700 -0.007 0.000 2.365 164 S HA -0.297 4.172 4.470 -0.000 0.000 0.221 164 S C 1.944 176.525 174.600 -0.032 0.000 1.037 164 S CA 1.637 59.827 58.200 -0.017 0.000 1.060 164 S CB -0.658 62.536 63.200 -0.011 0.000 0.974 164 S HN 0.331 nan 8.310 nan 0.000 0.427 165 M N 1.045 120.627 119.600 -0.031 0.000 2.117 165 M HA 0.041 4.521 4.480 -0.000 0.000 0.262 165 M C 2.456 178.713 176.300 -0.071 0.000 1.065 165 M CA 1.315 56.582 55.300 -0.054 0.000 1.114 165 M CB -0.578 31.995 32.600 -0.045 0.000 1.361 165 M HN 0.319 nan 8.290 nan 0.000 0.408 166 L N 0.034 121.227 121.223 -0.049 0.000 2.013 166 L HA -0.297 4.043 4.340 -0.000 0.000 0.212 166 L C 2.804 179.631 176.870 -0.072 0.000 1.073 166 L CA 1.617 56.422 54.840 -0.057 0.000 0.753 166 L CB -0.352 41.682 42.059 -0.042 0.000 0.890 166 L HN 0.304 nan 8.230 nan 0.000 0.432 167 R N -0.505 119.959 120.500 -0.060 0.000 2.096 167 R HA -0.180 4.160 4.340 -0.000 0.000 0.240 167 R C 2.129 178.375 176.300 -0.089 0.000 1.139 167 R CA 1.533 57.596 56.100 -0.061 0.000 0.952 167 R CB -1.000 29.273 30.300 -0.044 0.000 0.854 167 R HN 0.553 nan 8.270 nan 0.000 0.436 168 G N 1.045 109.786 108.800 -0.099 0.000 2.446 168 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.217 168 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.217 168 G C 1.301 176.077 174.900 -0.206 0.000 1.168 168 G CA 0.967 45.991 45.100 -0.127 0.000 0.771 168 G HN 0.475 nan 8.290 nan 0.000 0.551 169 E N -0.379 119.675 120.200 -0.243 0.000 2.049 169 E HA -0.214 4.136 4.350 -0.000 0.000 0.198 169 E C 2.577 178.792 176.600 -0.641 0.000 1.007 169 E CA 1.467 57.610 56.400 -0.428 0.000 0.809 169 E CB -0.174 29.351 29.700 -0.291 0.000 0.749 169 E HN 0.276 nan 8.360 nan 0.000 0.450 170 M N 0.457 119.879 119.600 -0.297 0.000 2.080 170 M HA -0.148 4.332 4.480 -0.000 0.000 0.260 170 M C 2.446 178.675 176.300 -0.118 0.000 1.068 170 M CA 1.490 56.723 55.300 -0.112 0.000 1.109 170 M CB -1.270 31.325 32.600 -0.008 0.000 1.342 170 M HN 0.071 nan 8.290 nan 0.000 0.405 171 R N 0.761 121.188 120.500 -0.122 0.000 2.105 171 R HA -0.082 4.257 4.340 -0.000 0.000 0.239 171 R C 2.169 178.410 176.300 -0.099 0.000 1.135 171 R CA 2.062 58.116 56.100 -0.078 0.000 0.967 171 R CB -1.423 28.834 30.300 -0.072 0.000 0.861 171 R HN 0.438 nan 8.270 nan 0.000 0.442 172 G N -0.912 107.756 108.800 -0.219 0.000 2.442 172 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.219 172 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.219 172 G C 0.973 175.804 174.900 -0.114 0.000 1.141 172 G CA 1.037 46.004 45.100 -0.223 0.000 0.763 172 G HN 0.373 nan 8.290 nan 0.000 0.554 173 Y N 0.149 120.440 120.300 -0.015 0.000 2.163 173 Y HA 0.063 4.613 4.550 -0.000 0.000 0.288 173 Y C 2.725 178.704 175.900 0.132 0.000 1.136 173 Y CA 0.201 58.314 58.100 0.022 0.000 1.147 173 Y CB -0.960 37.432 38.460 -0.114 0.000 0.987 173 Y HN 0.044 nan 8.280 nan 0.000 0.509 174 L N 0.179 121.527 121.223 0.208 0.000 2.079 174 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 174 L C 1.877 178.807 176.870 0.101 0.000 1.081 174 L CA 1.731 56.656 54.840 0.141 0.000 0.752 174 L CB -0.896 41.207 42.059 0.073 0.000 0.896 174 L HN 0.146 nan 8.230 nan 0.000 0.433 175 D N -0.474 119.969 120.400 0.071 0.000 2.221 175 D HA -0.153 4.487 4.640 -0.000 0.000 0.204 175 D C 1.978 178.314 176.300 0.061 0.000 0.982 175 D CA 0.972 54.998 54.000 0.043 0.000 0.857 175 D CB -0.069 40.739 40.800 0.014 0.000 0.934 175 D HN 0.314 nan 8.370 nan 0.000 0.475 176 R N -0.829 119.746 120.500 0.125 0.000 2.356 176 R HA 0.250 4.590 4.340 -0.000 0.000 0.234 176 R C 1.118 177.427 176.300 0.015 0.000 0.929 176 R CA 0.436 56.609 56.100 0.120 0.000 1.084 176 R CB 0.645 31.087 30.300 0.236 0.000 1.105 176 R HN 0.163 nan 8.270 nan 0.000 0.515 177 G N -0.242 108.558 108.800 0.001 0.000 2.195 177 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.224 177 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.224 177 G C -0.204 174.594 174.900 -0.169 0.000 0.990 177 G CA -0.549 44.482 45.100 -0.116 0.000 0.639 177 G HN 0.251 nan 8.290 nan 0.000 0.514 178 Y N 1.668 121.961 120.300 -0.011 0.000 2.425 178 Y HA 0.344 4.894 4.550 -0.000 0.000 0.331 178 Y C 1.592 177.470 175.900 -0.036 0.000 1.157 178 Y CA 0.742 58.811 58.100 -0.052 0.000 1.372 178 Y CB 0.563 38.983 38.460 -0.068 0.000 1.253 178 Y HN 0.399 nan 8.280 nan 0.000 0.536 179 N N 0.006 118.758 118.700 0.088 0.000 2.200 179 N HA 0.310 5.049 4.740 -0.000 0.000 0.224 179 N C -1.376 174.114 175.510 -0.035 0.000 1.179 179 N CA -0.040 53.034 53.050 0.040 0.000 0.877 179 N CB 0.640 39.159 38.487 0.052 0.000 1.072 179 N HN 0.250 nan 8.380 nan 0.000 0.519 180 V N 1.391 121.274 119.914 -0.052 0.000 2.697 180 V HA 0.324 4.444 4.120 -0.000 0.000 0.300 180 V C -0.551 175.430 176.094 -0.188 0.000 1.115 180 V CA -0.909 61.249 62.300 -0.237 0.000 0.912 180 V CB 1.703 33.266 31.823 -0.433 0.000 1.024 180 V HN 0.150 nan 8.190 nan 0.000 0.431 181 V N 1.691 121.481 119.914 -0.207 0.000 3.001 181 V HA 0.811 4.930 4.120 -0.000 0.000 0.314 181 V C -0.686 175.286 176.094 -0.203 0.000 1.099 181 V CA -0.982 61.212 62.300 -0.176 0.000 0.989 181 V CB 2.152 33.937 31.823 -0.063 0.000 1.040 181 V HN 0.842 nan 8.190 nan 0.000 0.434 182 K N 3.167 123.479 120.400 -0.147 0.000 2.316 182 K HA 0.825 5.145 4.320 -0.000 0.000 0.251 182 K C -0.770 175.779 176.600 -0.085 0.000 0.934 182 K CA -0.852 55.360 56.287 -0.126 0.000 0.802 182 K CB 2.077 34.561 32.500 -0.026 0.000 1.171 182 K HN 1.045 nan 8.250 nan 0.000 0.426 183 M N 0.837 120.385 119.600 -0.087 0.000 2.691 183 M HA 0.597 5.077 4.480 -0.000 0.000 0.293 183 M C -1.153 175.065 176.300 -0.137 0.000 1.259 183 M CA -1.060 54.163 55.300 -0.128 0.000 0.827 183 M CB 1.790 34.324 32.600 -0.110 0.000 1.753 183 M HN 0.139 nan 8.290 nan 0.000 0.465 184 K N 2.137 122.393 120.400 -0.241 0.000 2.098 184 K HA 0.782 5.102 4.320 -0.000 0.000 0.261 184 K C -0.469 176.098 176.600 -0.055 0.000 0.987 184 K CA -0.368 55.819 56.287 -0.166 0.000 0.916 184 K CB 1.527 33.883 32.500 -0.240 0.000 1.039 184 K HN 0.904 nan 8.250 nan 0.000 0.455 185 I N -4.673 115.978 120.570 0.134 0.000 3.191 185 I HA 0.626 4.796 4.170 -0.000 0.000 0.313 185 I C 0.638 176.937 176.117 0.304 0.000 1.193 185 I CA -0.860 60.615 61.300 0.291 0.000 0.968 185 I CB 2.110 40.284 38.000 0.291 0.000 1.262 185 I HN 0.608 nan 8.210 nan 0.000 0.456 186 G N 1.328 110.363 108.800 0.392 0.000 2.176 186 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.253 186 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.253 186 G C 0.819 175.863 174.900 0.240 0.000 0.979 186 G CA 0.337 45.658 45.100 0.368 0.000 0.641 186 G HN 1.433 nan 8.290 nan 0.000 0.530 187 G N -0.447 108.463 108.800 0.184 0.000 3.042 187 G HA2 0.708 4.668 3.960 -0.000 0.000 0.212 187 G HA3 0.708 4.668 3.960 -0.000 0.000 0.212 187 G C 0.460 175.045 174.900 -0.525 0.000 1.166 187 G CA 1.661 46.519 45.100 -0.404 0.000 0.767 187 G HN 1.785 nan 8.290 nan 0.000 0.546 188 A N -0.559 122.205 122.820 -0.094 0.000 2.602 188 A HA 0.787 5.106 4.320 -0.000 0.000 0.290 188 A C -3.014 174.651 177.584 0.135 0.000 1.114 188 A CA -1.262 50.776 52.037 0.002 0.000 0.683 188 A CB 0.637 19.686 19.000 0.081 0.000 1.281 188 A HN -0.028 nan 8.150 nan 0.000 0.416 189 P HA 0.048 nan 4.420 nan 0.000 0.266 189 P C 1.039 178.396 177.300 0.094 0.000 1.186 189 P CA 0.068 63.217 63.100 0.081 0.000 0.767 189 P CB 0.391 32.115 31.700 0.039 0.000 0.820 190 I N 1.967 122.545 120.570 0.014 0.000 2.315 190 I HA -0.283 3.887 4.170 -0.000 0.000 0.251 190 I C 1.566 177.601 176.117 -0.137 0.000 1.125 190 I CA 1.734 62.908 61.300 -0.209 0.000 1.392 190 I CB 0.123 37.814 38.000 -0.515 0.000 1.065 190 I HN 0.306 nan 8.210 nan 0.000 0.424 191 E N 0.391 120.553 120.200 -0.064 0.000 2.158 191 E HA -0.241 4.108 4.350 -0.000 0.000 0.191 191 E C 1.889 178.496 176.600 0.010 0.000 0.982 191 E CA 0.967 57.349 56.400 -0.031 0.000 0.823 191 E CB -0.169 29.519 29.700 -0.020 0.000 0.766 191 E HN 0.644 nan 8.360 nan 0.000 0.468 192 E N 0.773 120.996 120.200 0.039 0.000 2.072 192 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 192 E C 1.375 178.032 176.600 0.094 0.000 0.985 192 E CA 0.953 57.395 56.400 0.069 0.000 0.801 192 E CB 0.171 29.926 29.700 0.091 0.000 0.750 192 E HN 0.041 nan 8.360 nan 0.000 0.452 193 D N 0.388 120.865 120.400 0.130 0.000 2.123 193 D HA -0.192 4.448 4.640 -0.000 0.000 0.196 193 D C 1.986 178.326 176.300 0.067 0.000 0.992 193 D CA 0.773 54.875 54.000 0.170 0.000 0.833 193 D CB -0.257 40.731 40.800 0.314 0.000 0.954 193 D HN 0.156 nan 8.370 nan 0.000 0.455 194 R N 0.064 120.574 120.500 0.016 0.000 2.103 194 R HA -0.164 4.176 4.340 -0.000 0.000 0.242 194 R C 2.124 178.394 176.300 -0.049 0.000 1.142 194 R CA 1.163 57.246 56.100 -0.028 0.000 0.960 194 R CB -0.061 30.247 30.300 0.013 0.000 0.858 194 R HN 0.114 nan 8.270 nan 0.000 0.439 195 M N 0.433 120.030 119.600 -0.005 0.000 2.084 195 M HA -0.175 4.305 4.480 -0.000 0.000 0.259 195 M C 2.227 178.514 176.300 -0.022 0.000 1.072 195 M CA 1.760 57.057 55.300 -0.004 0.000 1.107 195 M CB -1.229 31.383 32.600 0.020 0.000 1.299 195 M HN 0.154 nan 8.290 nan 0.000 0.413 196 R N 0.070 120.570 120.500 0.000 0.000 2.133 196 R HA -0.155 4.185 4.340 -0.000 0.000 0.247 196 R C 2.206 178.471 176.300 -0.057 0.000 1.151 196 R CA 1.483 57.575 56.100 -0.013 0.000 0.971 196 R CB -0.701 29.606 30.300 0.012 0.000 0.866 196 R HN 0.396 nan 8.270 nan 0.000 0.447 197 I N 0.639 121.154 120.570 -0.091 0.000 2.193 197 I HA -0.218 3.951 4.170 -0.000 0.000 0.240 197 I C 2.131 178.127 176.117 -0.202 0.000 1.084 197 I CA 1.359 62.560 61.300 -0.166 0.000 1.365 197 I CB -0.299 37.539 38.000 -0.270 0.000 1.064 197 I HN 0.194 nan 8.210 nan 0.000 0.410 198 E N 0.970 121.039 120.200 -0.219 0.000 2.160 198 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 198 E C 2.230 178.790 176.600 -0.068 0.000 0.991 198 E CA 1.235 57.546 56.400 -0.148 0.000 0.810 198 E CB -0.169 29.491 29.700 -0.067 0.000 0.742 198 E HN 0.514 nan 8.360 nan 0.000 0.466 199 A N 0.622 123.408 122.820 -0.056 0.000 2.015 199 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 199 A C 2.339 179.901 177.584 -0.037 0.000 1.163 199 A CA 0.843 52.860 52.037 -0.033 0.000 0.646 199 A CB -0.066 18.919 19.000 -0.025 0.000 0.806 199 A HN 0.107 nan 8.150 nan 0.000 0.448 200 V N -0.894 118.989 119.914 -0.052 0.000 2.599 200 V HA -0.070 4.050 4.120 -0.000 0.000 0.245 200 V C 2.304 178.376 176.094 -0.037 0.000 1.046 200 V CA 1.061 63.334 62.300 -0.045 0.000 1.065 200 V CB -0.446 31.346 31.823 -0.053 0.000 0.703 200 V HN 0.441 nan 8.190 nan 0.000 0.464 201 L N 0.614 121.808 121.223 -0.049 0.000 2.083 201 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 201 L C 2.467 179.337 176.870 -0.000 0.000 1.083 201 L CA 2.177 57.003 54.840 -0.023 0.000 0.752 201 L CB -0.738 41.302 42.059 -0.031 0.000 0.899 201 L HN 0.539 nan 8.230 nan 0.000 0.433 202 E N -0.902 119.295 120.200 -0.005 0.000 2.072 202 E HA -0.262 4.088 4.350 -0.000 0.000 0.190 202 E C 2.012 178.611 176.600 -0.001 0.000 0.982 202 E CA 1.024 57.427 56.400 0.004 0.000 0.803 202 E CB 0.043 29.744 29.700 0.003 0.000 0.755 202 E HN 0.420 nan 8.360 nan 0.000 0.453 203 E N 1.211 121.406 120.200 -0.009 0.000 2.072 203 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 203 E C 2.119 178.716 176.600 -0.006 0.000 0.985 203 E CA 1.837 58.230 56.400 -0.011 0.000 0.801 203 E CB -0.387 29.300 29.700 -0.021 0.000 0.750 203 E HN 0.621 nan 8.360 nan 0.000 0.452 204 I N -3.333 117.235 120.570 -0.003 0.000 3.059 204 I HA 0.272 4.442 4.170 -0.000 0.000 0.270 204 I C 1.669 177.791 176.117 0.008 0.000 1.238 204 I CA 0.593 61.895 61.300 0.003 0.000 1.478 204 I CB -0.642 37.359 38.000 0.002 0.000 1.097 204 I HN 0.192 nan 8.210 nan 0.000 0.455 205 G N 2.961 111.767 108.800 0.010 0.000 2.690 205 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.334 205 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.334 205 G C 0.745 175.658 174.900 0.021 0.000 1.250 205 G CA 0.999 46.109 45.100 0.017 0.000 0.994 205 G HN 0.543 nan 8.290 nan 0.000 0.549 206 K N 0.941 121.353 120.400 0.020 0.000 2.399 206 K HA 0.222 4.542 4.320 -0.000 0.000 0.204 206 K C 0.589 177.200 176.600 0.020 0.000 1.023 206 K CA 0.260 56.561 56.287 0.023 0.000 1.127 206 K CB 0.557 33.071 32.500 0.023 0.000 0.856 206 K HN 0.369 nan 8.250 nan 0.000 0.514 207 D N 0.739 121.149 120.400 0.016 0.000 2.360 207 D HA 0.095 4.735 4.640 -0.000 0.000 0.210 207 D C 0.198 176.507 176.300 0.015 0.000 1.047 207 D CA 0.331 54.341 54.000 0.017 0.000 0.854 207 D CB 0.821 41.631 40.800 0.017 0.000 0.936 207 D HN 0.191 nan 8.370 nan 0.000 0.514 208 A N 0.076 122.900 122.820 0.007 0.000 2.601 208 A HA 0.513 4.833 4.320 -0.000 0.000 0.291 208 A C -1.377 176.188 177.584 -0.031 0.000 1.075 208 A CA -0.716 51.312 52.037 -0.015 0.000 0.671 208 A CB 1.527 20.524 19.000 -0.006 0.000 1.277 208 A HN -0.096 nan 8.150 nan 0.000 0.417 209 Q N -0.376 119.369 119.800 -0.091 0.000 2.301 209 Q HA 0.651 4.991 4.340 -0.000 0.000 0.267 209 Q C -1.391 174.531 176.000 -0.130 0.000 1.035 209 Q CA -0.866 54.889 55.803 -0.080 0.000 0.856 209 Q CB 2.582 31.271 28.738 -0.081 0.000 1.337 209 Q HN 0.653 nan 8.270 nan 0.000 0.450 210 L N 1.125 122.317 121.223 -0.052 0.000 2.325 210 L HA 0.798 5.138 4.340 -0.000 0.000 0.278 210 L C -1.505 175.313 176.870 -0.087 0.000 1.023 210 L CA -0.236 54.553 54.840 -0.084 0.000 0.811 210 L CB 1.655 43.688 42.059 -0.043 0.000 1.249 210 L HN 0.705 nan 8.230 nan 0.000 0.431 211 A N 4.560 127.248 122.820 -0.220 0.000 2.355 211 A HA 0.767 5.087 4.320 -0.000 0.000 0.317 211 A C -1.063 176.451 177.584 -0.116 0.000 1.094 211 A CA -0.322 51.523 52.037 -0.320 0.000 0.764 211 A CB 1.542 19.910 19.000 -1.054 0.000 1.230 211 A HN 1.030 nan 8.150 nan 0.000 0.448 212 V N -0.463 119.495 119.914 0.073 0.000 2.667 212 V HA 0.821 4.941 4.120 -0.000 0.000 0.308 212 V C -0.989 175.262 176.094 0.261 0.000 1.048 212 V CA -0.704 61.678 62.300 0.137 0.000 0.928 212 V CB 1.843 33.750 31.823 0.140 0.000 1.004 212 V HN 0.795 nan 8.190 nan 0.000 0.444 213 D N 2.754 123.259 120.400 0.175 0.000 2.620 213 D HA 0.670 5.310 4.640 -0.000 0.000 0.252 213 D C 0.382 176.711 176.300 0.047 0.000 1.207 213 D CA 0.018 54.114 54.000 0.159 0.000 0.884 213 D CB 2.105 43.002 40.800 0.161 0.000 1.262 213 D HN 0.849 nan 8.370 nan 0.000 0.552 214 A N 3.747 126.528 122.820 -0.064 0.000 2.251 214 A HA 0.096 4.416 4.320 -0.000 0.000 0.209 214 A C 0.946 178.363 177.584 -0.277 0.000 1.187 214 A CA -0.074 51.744 52.037 -0.364 0.000 0.823 214 A CB -0.369 18.047 19.000 -0.973 0.000 0.846 214 A HN 0.745 nan 8.150 nan 0.000 0.486 215 N N -1.045 117.597 118.700 -0.096 0.000 2.708 215 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 215 N C 0.847 176.343 175.510 -0.024 0.000 1.097 215 N CA 1.237 54.280 53.050 -0.011 0.000 0.710 215 N CB -1.503 37.053 38.487 0.115 0.000 1.032 215 N HN 1.321 nan 8.380 nan 0.000 0.551 216 G N -0.125 108.599 108.800 -0.128 0.000 2.225 216 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.267 216 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.267 216 G C 0.874 175.829 174.900 0.092 0.000 1.024 216 G CA 1.060 46.113 45.100 -0.079 0.000 0.784 216 G HN 0.559 nan 8.290 nan 0.000 0.507 217 R N -0.752 119.728 120.500 -0.035 0.000 2.161 217 R HA 0.293 4.633 4.340 -0.000 0.000 0.213 217 R C 1.009 177.371 176.300 0.103 0.000 1.055 217 R CA 0.264 56.372 56.100 0.013 0.000 0.996 217 R CB -0.189 30.063 30.300 -0.079 0.000 0.901 217 R HN 0.273 nan 8.270 nan 0.000 0.456 218 F N 1.462 121.411 119.950 -0.003 0.000 2.418 218 F HA 0.222 4.749 4.527 -0.000 0.000 0.341 218 F C 0.786 176.586 175.800 0.000 0.000 1.120 218 F CA -1.679 56.312 58.000 -0.016 0.000 1.232 218 F CB -0.100 38.882 39.000 -0.029 0.000 1.175 218 F HN 0.101 nan 8.300 nan 0.000 0.569 219 N N 1.038 119.863 118.700 0.209 0.000 2.448 219 N HA 0.267 5.006 4.740 -0.000 0.000 0.274 219 N C 0.738 176.309 175.510 0.102 0.000 1.239 219 N CA -0.691 52.426 53.050 0.112 0.000 0.982 219 N CB 0.117 38.644 38.487 0.065 0.000 1.199 219 N HN 0.444 nan 8.380 nan 0.000 0.576 220 L N -0.207 121.057 121.223 0.068 0.000 1.990 220 L HA -0.134 4.206 4.340 -0.000 0.000 0.213 220 L C 1.850 178.733 176.870 0.022 0.000 1.072 220 L CA 1.942 56.818 54.840 0.059 0.000 0.755 220 L CB -0.981 41.111 42.059 0.054 0.000 0.889 220 L HN 0.703 nan 8.230 nan 0.000 0.432 221 E N -1.315 118.883 120.200 -0.003 0.000 2.077 221 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 221 E C 1.948 178.513 176.600 -0.057 0.000 0.989 221 E CA 1.819 58.193 56.400 -0.045 0.000 0.800 221 E CB -0.233 29.446 29.700 -0.035 0.000 0.746 221 E HN 0.572 nan 8.360 nan 0.000 0.452 222 T N 0.115 114.639 114.554 -0.051 0.000 2.746 222 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 222 T C 1.890 176.495 174.700 -0.159 0.000 1.039 222 T CA 1.182 63.196 62.100 -0.143 0.000 1.142 222 T CB -0.538 68.189 68.868 -0.235 0.000 0.866 222 T HN 0.368 nan 8.240 nan 0.000 0.444 223 G N 1.255 110.066 108.800 0.019 0.000 2.442 223 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.219 223 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.219 223 G C 1.521 176.548 174.900 0.212 0.000 1.141 223 G CA 0.496 45.740 45.100 0.240 0.000 0.763 223 G HN 0.492 nan 8.290 nan 0.000 0.554 224 I N 1.142 121.735 120.570 0.038 0.000 2.286 224 I HA -0.105 4.064 4.170 -0.000 0.000 0.245 224 I C 3.282 179.364 176.117 -0.059 0.000 1.104 224 I CA 0.773 62.010 61.300 -0.105 0.000 1.397 224 I CB -0.227 37.505 38.000 -0.446 0.000 1.072 224 I HN 0.246 nan 8.210 nan 0.000 0.417 225 A N 0.463 123.251 122.820 -0.054 0.000 1.865 225 A HA -0.264 4.055 4.320 -0.000 0.000 0.217 225 A C 2.180 179.749 177.584 -0.026 0.000 1.191 225 A CA 1.636 53.635 52.037 -0.064 0.000 0.623 225 A CB -1.181 17.763 19.000 -0.093 0.000 0.826 225 A HN 0.402 nan 8.150 nan 0.000 0.444 226 Y N -0.137 120.103 120.300 -0.101 0.000 2.333 226 Y HA -0.094 4.456 4.550 -0.000 0.000 0.290 226 Y C 2.826 178.709 175.900 -0.028 0.000 1.144 226 Y CA 0.917 58.981 58.100 -0.059 0.000 1.228 226 Y CB -0.196 38.245 38.460 -0.031 0.000 0.985 226 Y HN 0.370 nan 8.280 nan 0.000 0.542 227 A N 0.195 123.151 122.820 0.227 0.000 1.873 227 A HA -0.204 4.115 4.320 -0.000 0.000 0.215 227 A C 2.130 179.887 177.584 0.289 0.000 1.186 227 A CA 1.746 53.959 52.037 0.293 0.000 0.616 227 A CB -0.447 18.818 19.000 0.442 0.000 0.823 227 A HN 0.374 nan 8.150 nan 0.000 0.442 228 K N -1.121 119.381 120.400 0.170 0.000 2.147 228 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 228 K C 2.131 178.777 176.600 0.076 0.000 1.049 228 K CA 1.442 57.799 56.287 0.117 0.000 0.936 228 K CB -0.207 32.323 32.500 0.049 0.000 0.722 228 K HN 0.509 nan 8.250 nan 0.000 0.446 229 M N 0.529 120.161 119.600 0.053 0.000 2.160 229 M HA -0.071 4.409 4.480 -0.000 0.000 0.264 229 M C 1.709 178.117 176.300 0.179 0.000 1.073 229 M CA 1.434 56.767 55.300 0.055 0.000 1.142 229 M CB -0.176 32.397 32.600 -0.044 0.000 1.358 229 M HN 0.059 nan 8.290 nan 0.000 0.422 230 L N 1.287 122.629 121.223 0.199 0.000 2.093 230 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 230 L C 2.636 179.722 176.870 0.360 0.000 1.085 230 L CA 1.721 56.743 54.840 0.302 0.000 0.755 230 L CB -1.148 40.950 42.059 0.064 0.000 0.904 230 L HN 0.445 nan 8.230 nan 0.000 0.435 231 R N -1.104 119.573 120.500 0.295 0.000 2.241 231 R HA -0.118 4.222 4.340 -0.000 0.000 0.224 231 R C 0.945 177.232 176.300 -0.022 0.000 1.101 231 R CA 1.324 57.479 56.100 0.090 0.000 0.995 231 R CB -0.599 29.719 30.300 0.030 0.000 0.870 231 R HN 0.279 nan 8.270 nan 0.000 0.463 232 D N -0.038 120.296 120.400 -0.110 0.000 2.363 232 D HA -0.009 4.631 4.640 -0.000 0.000 0.220 232 D C -0.335 175.708 176.300 -0.429 0.000 0.994 232 D CA 0.774 54.586 54.000 -0.315 0.000 0.890 232 D CB 0.067 40.584 40.800 -0.472 0.000 0.906 232 D HN 0.225 nan 8.370 nan 0.000 0.530 233 Y N 0.190 120.516 120.300 0.044 0.000 2.420 233 Y HA 0.307 4.856 4.550 -0.000 0.000 0.334 233 Y C -1.698 174.236 175.900 0.057 0.000 1.094 233 Y CA -2.676 55.452 58.100 0.048 0.000 1.126 233 Y CB 1.007 39.500 38.460 0.056 0.000 1.217 233 Y HN -0.218 nan 8.280 nan 0.000 0.462 234 P HA 0.077 nan 4.420 nan 0.000 0.226 234 P C -0.803 176.606 177.300 0.181 0.000 1.783 234 P CA 0.036 63.226 63.100 0.150 0.000 0.980 234 P CB -0.264 31.506 31.700 0.118 0.000 1.967 235 L N 0.635 121.989 121.223 0.218 0.000 2.452 235 L HA 0.134 4.473 4.340 -0.000 0.000 0.267 235 L C 1.787 178.822 176.870 0.276 0.000 1.188 235 L CA -0.002 54.978 54.840 0.234 0.000 0.821 235 L CB -0.787 41.440 42.059 0.280 0.000 1.102 235 L HN 0.057 nan 8.230 nan 0.000 0.470 236 F N 2.052 122.036 119.950 0.055 0.000 2.163 236 F HA 0.006 4.533 4.527 -0.000 0.000 0.297 236 F C 0.185 176.171 175.800 0.310 0.000 1.094 236 F CA 0.748 58.782 58.000 0.056 0.000 1.290 236 F CB 0.250 39.112 39.000 -0.229 0.000 1.017 236 F HN 0.560 nan 8.300 nan 0.000 0.483 237 W N -1.747 119.707 121.300 0.256 0.000 3.161 237 W HA 0.343 5.003 4.660 -0.000 0.000 0.314 237 W C -2.449 174.257 176.519 0.312 0.000 1.245 237 W CA -2.232 55.267 57.345 0.258 0.000 1.191 237 W CB -0.515 29.054 29.460 0.182 0.000 1.392 237 W HN -0.132 nan 8.180 nan 0.000 0.568 238 Y N 3.416 124.034 120.300 0.529 0.000 2.402 238 Y HA 0.516 5.066 4.550 -0.000 0.000 0.332 238 Y C -0.286 175.723 175.900 0.183 0.000 0.960 238 Y CA -1.963 56.274 58.100 0.228 0.000 1.228 238 Y CB 0.783 39.084 38.460 -0.265 0.000 1.120 238 Y HN 0.670 nan 8.280 nan 0.000 0.491 239 E N 4.214 124.639 120.200 0.375 0.000 2.231 239 E HA 0.187 4.537 4.350 -0.000 0.000 0.277 239 E C -0.503 176.037 176.600 -0.100 0.000 0.999 239 E CA -0.527 55.910 56.400 0.062 0.000 0.827 239 E CB 0.728 30.561 29.700 0.223 0.000 1.101 239 E HN 0.741 nan 8.360 nan 0.000 0.393 240 E N 2.572 122.667 120.200 -0.175 0.000 2.173 240 E HA -0.240 4.110 4.350 -0.000 0.000 0.160 240 E C 0.281 176.719 176.600 -0.270 0.000 1.581 240 E CA 0.108 56.392 56.400 -0.194 0.000 0.618 240 E CB -0.592 29.027 29.700 -0.134 0.000 1.049 240 E HN 0.493 nan 8.360 nan 0.000 0.311 241 V N 1.674 121.367 119.914 -0.368 0.000 2.237 241 V HA -0.126 3.994 4.120 -0.000 0.000 0.245 241 V C 1.553 177.521 176.094 -0.211 0.000 1.046 241 V CA 2.176 64.244 62.300 -0.388 0.000 1.007 241 V CB -0.473 31.087 31.823 -0.438 0.000 0.638 241 V HN 0.603 nan 8.190 nan 0.000 0.445 242 G N -1.304 107.427 108.800 -0.116 0.000 2.938 242 G HA2 0.317 4.277 3.960 -0.000 0.000 0.258 242 G HA3 0.317 4.277 3.960 -0.000 0.000 0.258 242 G C -1.100 173.765 174.900 -0.058 0.000 1.356 242 G CA -0.313 44.766 45.100 -0.035 0.000 1.052 242 G HN 0.237 nan 8.290 nan 0.000 0.550 243 D N -0.108 120.277 120.400 -0.026 0.000 2.525 243 D HA 0.018 4.658 4.640 -0.000 0.000 0.235 243 D C -1.113 175.105 176.300 -0.136 0.000 1.137 243 D CA -0.901 53.067 54.000 -0.053 0.000 0.868 243 D CB 1.607 42.386 40.800 -0.035 0.000 1.180 243 D HN -0.109 nan 8.370 nan 0.000 0.465 244 P HA -0.104 nan 4.420 nan 0.000 0.217 244 P C 1.102 178.230 177.300 -0.287 0.000 1.148 244 P CA 1.054 64.040 63.100 -0.189 0.000 0.828 244 P CB 0.166 31.748 31.700 -0.197 0.000 0.783 245 L N -1.810 119.195 121.223 -0.363 0.000 2.607 245 L HA 0.155 4.495 4.340 -0.000 0.000 0.228 245 L C 0.909 177.283 176.870 -0.826 0.000 1.123 245 L CA 0.107 54.547 54.840 -0.666 0.000 0.890 245 L CB -0.218 41.640 42.059 -0.335 0.000 1.103 245 L HN -0.145 nan 8.230 nan 0.000 0.468 246 D N -0.430 119.687 120.400 -0.472 0.000 2.631 246 D HA 0.001 4.641 4.640 -0.000 0.000 0.227 246 D C 0.963 177.149 176.300 -0.191 0.000 1.146 246 D CA -0.276 53.560 54.000 -0.275 0.000 1.009 246 D CB 0.289 41.019 40.800 -0.117 0.000 1.057 246 D HN 0.110 nan 8.370 nan 0.000 0.509 247 Y N 1.147 121.465 120.300 0.031 0.000 2.256 247 Y HA -0.184 4.366 4.550 -0.000 0.000 0.288 247 Y C 2.477 178.416 175.900 0.065 0.000 1.155 247 Y CA 1.073 59.209 58.100 0.060 0.000 1.203 247 Y CB -0.800 37.737 38.460 0.129 0.000 0.980 247 Y HN 0.401 nan 8.280 nan 0.000 0.530 248 A N 0.066 122.989 122.820 0.172 0.000 1.933 248 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 248 A C 2.333 179.980 177.584 0.105 0.000 1.175 248 A CA 1.494 53.607 52.037 0.126 0.000 0.628 248 A CB -1.059 17.989 19.000 0.079 0.000 0.814 248 A HN 0.530 nan 8.150 nan 0.000 0.444 249 L N -0.897 120.371 121.223 0.075 0.000 1.994 249 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 249 L C 2.732 179.654 176.870 0.087 0.000 1.071 249 L CA 2.430 57.313 54.840 0.073 0.000 0.745 249 L CB -0.381 41.702 42.059 0.040 0.000 0.892 249 L HN 0.487 nan 8.230 nan 0.000 0.431 250 Q N 0.233 120.077 119.800 0.073 0.000 2.112 250 Q HA -0.249 4.090 4.340 -0.000 0.000 0.206 250 Q C 2.011 178.075 176.000 0.106 0.000 0.987 250 Q CA 2.506 58.352 55.803 0.071 0.000 0.858 250 Q CB -0.475 28.310 28.738 0.078 0.000 0.905 250 Q HN 0.631 nan 8.270 nan 0.000 0.420 251 A N 0.057 122.954 122.820 0.128 0.000 1.902 251 A HA 0.006 4.325 4.320 -0.000 0.000 0.217 251 A C 2.277 179.935 177.584 0.124 0.000 1.181 251 A CA 1.787 53.899 52.037 0.124 0.000 0.623 251 A CB -1.118 17.961 19.000 0.131 0.000 0.818 251 A HN 0.538 nan 8.150 nan 0.000 0.443 252 A N -0.928 121.977 122.820 0.141 0.000 2.019 252 A HA 0.038 4.358 4.320 -0.000 0.000 0.219 252 A C 1.900 179.639 177.584 0.258 0.000 1.164 252 A CA 1.447 53.591 52.037 0.178 0.000 0.644 252 A CB -0.420 18.697 19.000 0.196 0.000 0.805 252 A HN 0.383 nan 8.150 nan 0.000 0.449 253 L N -0.576 120.795 121.223 0.246 0.000 2.201 253 L HA -0.062 4.278 4.340 -0.000 0.000 0.212 253 L C 2.851 179.904 176.870 0.304 0.000 1.105 253 L CA 1.478 56.514 54.840 0.328 0.000 0.775 253 L CB -0.980 41.205 42.059 0.211 0.000 0.913 253 L HN 0.405 nan 8.230 nan 0.000 0.440 254 A N -0.739 122.191 122.820 0.183 0.000 1.986 254 A HA -0.279 4.041 4.320 -0.000 0.000 0.220 254 A C 2.314 179.927 177.584 0.048 0.000 1.171 254 A CA 1.817 53.932 52.037 0.131 0.000 0.640 254 A CB -0.573 18.475 19.000 0.079 0.000 0.811 254 A HN 0.571 nan 8.150 nan 0.000 0.451 255 E N -1.591 118.562 120.200 -0.078 0.000 2.268 255 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 255 E C 0.903 177.209 176.600 -0.491 0.000 0.995 255 E CA 1.054 57.233 56.400 -0.368 0.000 0.836 255 E CB -0.125 29.193 29.700 -0.637 0.000 0.763 255 E HN 0.664 nan 8.360 nan 0.000 0.491 256 F N -1.346 118.695 119.950 0.151 0.000 2.724 256 F HA 0.232 4.759 4.527 -0.000 0.000 0.306 256 F C -0.094 175.863 175.800 0.262 0.000 1.100 256 F CA -0.330 57.776 58.000 0.177 0.000 1.255 256 F CB 0.609 39.721 39.000 0.188 0.000 1.072 256 F HN -0.074 nan 8.300 nan 0.000 0.589 257 Y N 1.673 122.131 120.300 0.264 0.000 2.445 257 Y HA 0.402 4.952 4.550 -0.000 0.000 0.332 257 Y C -2.300 173.696 175.900 0.159 0.000 1.037 257 Y CA -2.848 55.397 58.100 0.242 0.000 1.296 257 Y CB 1.226 39.899 38.460 0.354 0.000 1.099 257 Y HN -0.146 nan 8.280 nan 0.000 0.496 258 P HA 0.022 nan 4.420 nan 0.000 0.219 258 P C 0.709 177.939 177.300 -0.117 0.000 1.150 258 P CA 0.940 63.989 63.100 -0.086 0.000 0.814 258 P CB 0.329 31.966 31.700 -0.104 0.000 0.787 259 G N 1.573 110.161 108.800 -0.353 0.000 2.594 259 G HA2 0.232 4.191 3.960 -0.000 0.000 0.243 259 G HA3 0.232 4.191 3.960 -0.000 0.000 0.243 259 G C -2.346 172.660 174.900 0.176 0.000 1.229 259 G CA -0.901 44.093 45.100 -0.177 0.000 0.843 259 G HN 0.044 nan 8.290 nan 0.000 0.578 260 P HA 0.010 nan 4.420 nan 0.000 0.264 260 P C -0.274 177.288 177.300 0.437 0.000 1.183 260 P CA 0.703 63.948 63.100 0.243 0.000 0.763 260 P CB 0.677 32.484 31.700 0.179 0.000 0.807 261 M N 1.692 121.463 119.600 0.285 0.000 2.761 261 M HA 0.741 5.221 4.480 -0.000 0.000 0.305 261 M C -0.220 176.097 176.300 0.029 0.000 1.235 261 M CA -0.852 54.566 55.300 0.198 0.000 0.850 261 M CB 2.646 35.309 32.600 0.104 0.000 1.744 261 M HN 0.358 nan 8.290 nan 0.000 0.480 262 A N 0.497 123.227 122.820 -0.151 0.000 2.572 262 A HA 0.909 5.228 4.320 -0.000 0.000 0.295 262 A C -0.880 176.536 177.584 -0.281 0.000 1.072 262 A CA -0.534 51.309 52.037 -0.323 0.000 0.691 262 A CB 2.281 20.749 19.000 -0.887 0.000 1.291 262 A HN 0.766 nan 8.150 nan 0.000 0.404 263 T N -1.415 112.969 114.554 -0.284 0.000 2.676 263 T HA 0.584 4.934 4.350 -0.000 0.000 0.308 263 T C 0.442 174.955 174.700 -0.312 0.000 1.740 263 T CA 0.962 62.917 62.100 -0.240 0.000 0.982 263 T CB 0.578 69.341 68.868 -0.174 0.000 1.724 263 T HN 2.647 nan 8.240 nan 0.000 0.497 264 G N 1.144 109.795 108.800 -0.248 0.000 2.284 264 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.201 264 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.201 264 G C 0.776 175.585 174.900 -0.153 0.000 0.998 264 G CA 1.228 46.165 45.100 -0.273 0.000 0.651 264 G HN 1.085 nan 8.290 nan 0.000 0.489 265 E N 0.439 120.538 120.200 -0.169 0.000 2.209 265 E HA -0.090 4.259 4.350 -0.000 0.000 0.196 265 E C 1.296 177.734 176.600 -0.271 0.000 0.993 265 E CA 1.250 57.550 56.400 -0.167 0.000 0.819 265 E CB -0.212 29.319 29.700 -0.280 0.000 0.745 265 E HN 0.411 nan 8.360 nan 0.000 0.477 266 N N 0.525 118.998 118.700 -0.378 0.000 2.251 266 N HA 0.199 4.939 4.740 -0.000 0.000 0.217 266 N C -0.661 174.187 175.510 -1.103 0.000 1.124 266 N CA 0.124 52.759 53.050 -0.692 0.000 0.843 266 N CB 0.698 38.983 38.487 -0.335 0.000 1.024 266 N HN 0.200 nan 8.380 nan 0.000 0.501 267 L N 0.664 121.427 121.223 -0.768 0.000 2.287 267 L HA 0.399 4.739 4.340 -0.000 0.000 0.287 267 L C -0.208 176.352 176.870 -0.517 0.000 1.022 267 L CA -0.539 54.017 54.840 -0.473 0.000 0.814 267 L CB 0.691 42.743 42.059 -0.012 0.000 1.217 267 L HN -0.070 nan 8.230 nan 0.000 0.420 268 F N 0.782 120.789 119.950 0.094 0.000 2.772 268 F HA 0.222 4.749 4.527 -0.000 0.000 0.302 268 F C 0.789 176.641 175.800 0.086 0.000 1.136 268 F CA -0.488 57.560 58.000 0.080 0.000 1.322 268 F CB 0.313 39.340 39.000 0.045 0.000 0.967 268 F HN 0.410 nan 8.300 nan 0.000 0.513 269 S N -2.514 113.226 115.700 0.066 0.000 2.570 269 S HA 0.266 4.736 4.470 -0.000 0.000 0.270 269 S C 0.335 174.792 174.600 -0.238 0.000 1.149 269 S CA -0.609 57.527 58.200 -0.106 0.000 0.837 269 S CB 0.876 63.765 63.200 -0.518 0.000 1.124 269 S HN 0.353 nan 8.310 nan 0.000 0.465 270 H N 0.567 119.493 119.070 -0.240 0.000 2.457 270 H HA 0.077 4.632 4.556 -0.000 0.000 0.294 270 H C 1.543 176.732 175.328 -0.232 0.000 1.064 270 H CA 1.783 57.655 56.048 -0.293 0.000 1.330 270 H CB -0.332 29.285 29.762 -0.243 0.000 1.395 270 H HN 0.567 nan 8.280 nan 0.000 0.541 271 Q N 0.680 120.041 119.800 -0.731 0.000 2.079 271 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 271 Q C 1.729 177.611 176.000 -0.197 0.000 0.974 271 Q CA 1.621 57.173 55.803 -0.418 0.000 0.840 271 Q CB 0.067 28.632 28.738 -0.288 0.000 0.898 271 Q HN 0.579 nan 8.270 nan 0.000 0.430 272 D N -0.187 120.128 120.400 -0.141 0.000 2.144 272 D HA -0.071 4.569 4.640 -0.000 0.000 0.200 272 D C 1.688 177.905 176.300 -0.138 0.000 0.978 272 D CA 1.234 55.212 54.000 -0.037 0.000 0.833 272 D CB -0.048 40.773 40.800 0.034 0.000 0.961 272 D HN 0.273 nan 8.370 nan 0.000 0.470 273 A N 1.127 123.753 122.820 -0.323 0.000 1.930 273 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 273 A C 2.182 179.539 177.584 -0.378 0.000 1.175 273 A CA 1.358 53.105 52.037 -0.482 0.000 0.627 273 A CB -0.465 17.901 19.000 -1.058 0.000 0.815 273 A HN 0.109 nan 8.150 nan 0.000 0.443 274 R N -0.257 120.037 120.500 -0.343 0.000 2.096 274 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 274 R C 1.657 177.674 176.300 -0.471 0.000 1.127 274 R CA 1.641 57.520 56.100 -0.368 0.000 0.968 274 R CB -0.266 29.917 30.300 -0.195 0.000 0.861 274 R HN 0.493 nan 8.270 nan 0.000 0.440 275 N N 0.849 119.317 118.700 -0.387 0.000 2.188 275 N HA -0.166 4.573 4.740 -0.000 0.000 0.184 275 N C 1.654 176.609 175.510 -0.924 0.000 1.018 275 N CA 0.893 53.638 53.050 -0.510 0.000 0.858 275 N CB -0.259 38.080 38.487 -0.246 0.000 0.989 275 N HN 0.191 nan 8.380 nan 0.000 0.426 276 L N 1.258 122.023 121.223 -0.764 0.000 2.017 276 L HA -0.022 4.317 4.340 -0.000 0.000 0.208 276 L C 1.920 178.521 176.870 -0.449 0.000 1.073 276 L CA 1.402 55.903 54.840 -0.565 0.000 0.745 276 L CB -0.638 41.356 42.059 -0.107 0.000 0.894 276 L HN 0.097 nan 8.230 nan 0.000 0.432 277 L N -1.034 119.879 121.223 -0.516 0.000 2.201 277 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 277 L C 2.677 179.248 176.870 -0.497 0.000 1.105 277 L CA 0.961 55.486 54.840 -0.525 0.000 0.775 277 L CB -0.480 41.129 42.059 -0.750 0.000 0.913 277 L HN 0.283 nan 8.230 nan 0.000 0.440 278 R N -1.169 118.904 120.500 -0.710 0.000 2.100 278 R HA -0.053 4.287 4.340 -0.000 0.000 0.220 278 R C 1.480 177.325 176.300 -0.759 0.000 1.091 278 R CA 1.146 56.758 56.100 -0.814 0.000 0.986 278 R CB 0.115 29.626 30.300 -1.315 0.000 0.888 278 R HN 0.296 nan 8.270 nan 0.000 0.444 279 Y N -2.394 117.776 120.300 -0.217 0.000 2.426 279 Y HA 0.335 4.885 4.550 -0.000 0.000 0.249 279 Y C 1.965 177.867 175.900 0.003 0.000 1.103 279 Y CA -0.182 57.863 58.100 -0.091 0.000 1.256 279 Y CB -0.142 38.276 38.460 -0.070 0.000 1.208 279 Y HN 0.015 nan 8.280 nan 0.000 0.519 280 G N 0.222 109.056 108.800 0.057 0.000 2.559 280 G HA2 0.126 4.086 3.960 -0.000 0.000 0.216 280 G HA3 0.126 4.086 3.960 -0.000 0.000 0.216 280 G C 1.663 176.637 174.900 0.124 0.000 1.126 280 G CA 0.543 45.733 45.100 0.149 0.000 0.778 280 G HN 0.580 nan 8.290 nan 0.000 0.543 281 G N -0.144 108.717 108.800 0.102 0.000 2.283 281 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.280 281 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.280 281 G C 0.444 175.415 174.900 0.118 0.000 1.029 281 G CA 0.618 45.781 45.100 0.105 0.000 0.840 281 G HN 0.469 nan 8.290 nan 0.000 0.505 282 M N -1.041 118.657 119.600 0.163 0.000 2.228 282 M HA 0.447 4.926 4.480 -0.000 0.000 0.326 282 M C 0.803 177.223 176.300 0.200 0.000 1.122 282 M CA -0.217 55.209 55.300 0.210 0.000 1.161 282 M CB 0.663 33.427 32.600 0.274 0.000 1.437 282 M HN 0.051 nan 8.290 nan 0.000 0.465 283 R N 2.569 123.117 120.500 0.080 0.000 2.205 283 R HA 0.226 4.566 4.340 -0.000 0.000 0.342 283 R C -1.753 174.317 176.300 -0.383 0.000 1.058 283 R CA -1.651 54.382 56.100 -0.111 0.000 0.904 283 R CB -0.134 30.108 30.300 -0.098 0.000 1.089 283 R HN 0.364 nan 8.270 nan 0.000 0.471 284 P HA -0.161 nan 4.420 nan 0.000 0.228 284 P C -0.116 176.664 177.300 -0.867 0.000 1.151 284 P CA 1.020 63.143 63.100 -1.628 0.000 0.770 284 P CB 0.416 31.013 31.700 -1.839 0.000 0.786 285 D N 0.246 120.325 120.400 -0.534 0.000 2.348 285 D HA -0.104 4.536 4.640 -0.000 0.000 0.211 285 D C 1.637 177.714 176.300 -0.373 0.000 0.998 285 D CA 0.583 54.354 54.000 -0.382 0.000 0.873 285 D CB -0.372 40.268 40.800 -0.266 0.000 0.925 285 D HN 0.357 nan 8.370 nan 0.000 0.524 286 R N -1.225 119.034 120.500 -0.403 0.000 2.591 286 R HA 0.224 4.564 4.340 -0.000 0.000 0.288 286 R C -0.429 175.526 176.300 -0.574 0.000 0.947 286 R CA -0.497 55.342 56.100 -0.435 0.000 1.085 286 R CB 0.101 30.256 30.300 -0.242 0.000 1.618 286 R HN -0.145 nan 8.270 nan 0.000 0.524 287 D N 0.819 120.971 120.400 -0.412 0.000 2.387 287 D HA 0.224 4.864 4.640 -0.000 0.000 0.251 287 D C -0.767 175.253 176.300 -0.467 0.000 1.141 287 D CA 0.198 54.019 54.000 -0.298 0.000 0.987 287 D CB 0.642 41.458 40.800 0.026 0.000 1.116 287 D HN 0.046 nan 8.370 nan 0.000 0.491 288 W N -0.069 121.166 121.300 -0.108 0.000 2.819 288 W HA 0.490 5.150 4.660 -0.000 0.000 0.337 288 W C -0.626 175.701 176.519 -0.320 0.000 1.077 288 W CA -0.748 56.479 57.345 -0.197 0.000 1.226 288 W CB 0.906 30.112 29.460 -0.424 0.000 1.419 288 W HN -0.081 nan 8.180 nan 0.000 0.502 289 L N 2.773 123.936 121.223 -0.100 0.000 2.272 289 L HA 0.369 4.708 4.340 -0.000 0.000 0.289 289 L C 0.466 177.054 176.870 -0.471 0.000 1.032 289 L CA -0.611 53.913 54.840 -0.528 0.000 0.810 289 L CB 1.214 42.872 42.059 -0.669 0.000 1.205 289 L HN 0.548 nan 8.230 nan 0.000 0.422 290 Q N 2.778 122.241 119.800 -0.562 0.000 2.225 290 Q HA 0.262 4.602 4.340 -0.000 0.000 0.259 290 Q C -0.823 175.124 176.000 -0.088 0.000 0.872 290 Q CA -0.455 55.211 55.803 -0.229 0.000 1.042 290 Q CB 0.236 28.898 28.738 -0.126 0.000 1.142 290 Q HN 0.422 nan 8.270 nan 0.000 0.463 291 F N 1.469 121.484 119.950 0.109 0.000 2.607 291 F HA -0.008 4.519 4.527 -0.000 0.000 0.374 291 F C 0.853 176.829 175.800 0.295 0.000 1.104 291 F CA -0.428 57.667 58.000 0.158 0.000 1.296 291 F CB 0.189 39.272 39.000 0.137 0.000 1.085 291 F HN -0.007 nan 8.300 nan 0.000 0.584 292 D N 2.259 122.946 120.400 0.478 0.000 2.440 292 D HA 0.178 4.818 4.640 -0.000 0.000 0.239 292 D C 0.813 177.344 176.300 0.384 0.000 1.084 292 D CA -0.750 53.498 54.000 0.415 0.000 0.843 292 D CB 1.057 42.148 40.800 0.485 0.000 1.097 292 D HN 0.647 nan 8.370 nan 0.000 0.531 293 C N 3.344 122.805 119.300 0.269 0.000 2.411 293 C HA 0.030 4.490 4.460 -0.000 0.000 0.279 293 C C 2.464 177.547 174.990 0.156 0.000 1.288 293 C CA 0.897 60.043 59.018 0.212 0.000 1.764 293 C CB -1.332 26.400 27.740 -0.014 0.000 1.974 293 C HN 0.610 nan 8.230 nan 0.000 0.498 294 A N 0.970 123.866 122.820 0.127 0.000 2.019 294 A HA 0.108 4.428 4.320 -0.000 0.000 0.219 294 A C 2.144 179.727 177.584 -0.001 0.000 1.164 294 A CA 1.739 53.761 52.037 -0.025 0.000 0.644 294 A CB -0.540 18.331 19.000 -0.214 0.000 0.805 294 A HN 0.765 nan 8.150 nan 0.000 0.449 295 L N -1.094 120.179 121.223 0.084 0.000 2.693 295 L HA 0.176 4.515 4.340 -0.000 0.000 0.235 295 L C 0.254 177.085 176.870 -0.064 0.000 1.127 295 L CA 0.054 54.854 54.840 -0.067 0.000 0.914 295 L CB 0.511 42.564 42.059 -0.009 0.000 1.193 295 L HN 0.125 nan 8.230 nan 0.000 0.502 296 S N -0.697 115.081 115.700 0.130 0.000 2.256 296 S HA 0.286 4.756 4.470 -0.000 0.000 0.210 296 S C -0.429 174.348 174.600 0.295 0.000 1.329 296 S CA -0.486 57.839 58.200 0.209 0.000 1.267 296 S CB -0.073 63.348 63.200 0.369 0.000 1.086 296 S HN 0.344 nan 8.310 nan 0.000 0.468 297 Y N 0.342 120.752 120.300 0.184 0.000 4.409 297 Y HA -0.259 4.291 4.550 -0.000 0.000 0.228 297 Y C 1.186 177.331 175.900 0.407 0.000 1.108 297 Y CA 0.973 59.265 58.100 0.319 0.000 1.955 297 Y CB -2.117 36.642 38.460 0.498 0.000 1.615 297 Y HN 0.860 nan 8.280 nan 0.000 0.665 298 G N -0.496 108.505 108.800 0.336 0.000 2.750 298 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.228 298 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.228 298 G C 0.328 175.349 174.900 0.201 0.000 1.367 298 G CA -0.223 45.037 45.100 0.268 0.000 0.871 298 G HN 0.789 nan 8.290 nan 0.000 0.560 299 L N 0.026 121.293 121.223 0.073 0.000 2.131 299 L HA 0.030 4.370 4.340 -0.000 0.000 0.210 299 L C 3.020 179.898 176.870 0.013 0.000 1.092 299 L CA 2.963 57.735 54.840 -0.114 0.000 0.759 299 L CB -0.934 40.697 42.059 -0.714 0.000 0.903 299 L HN 0.763 nan 8.230 nan 0.000 0.435 300 C N -0.316 119.089 119.300 0.174 0.000 2.413 300 C HA -0.136 4.324 4.460 -0.000 0.000 0.277 300 C C 2.708 177.522 174.990 -0.293 0.000 1.265 300 C CA 1.102 60.111 59.018 -0.014 0.000 1.752 300 C CB -0.824 26.743 27.740 -0.288 0.000 1.998 300 C HN 0.675 nan 8.230 nan 0.000 0.489 301 E N -0.388 119.669 120.200 -0.237 0.000 2.086 301 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 301 E C 1.864 178.440 176.600 -0.040 0.000 0.975 301 E CA 0.953 57.246 56.400 -0.178 0.000 0.813 301 E CB -0.595 29.169 29.700 0.108 0.000 0.768 301 E HN 0.667 nan 8.360 nan 0.000 0.457 302 Y N 1.374 121.641 120.300 -0.055 0.000 2.256 302 Y HA -0.237 4.312 4.550 -0.000 0.000 0.288 302 Y C 2.010 177.870 175.900 -0.066 0.000 1.155 302 Y CA 2.154 60.230 58.100 -0.039 0.000 1.203 302 Y CB 0.038 38.486 38.460 -0.019 0.000 0.980 302 Y HN 0.165 nan 8.280 nan 0.000 0.530 303 Q N -0.660 119.161 119.800 0.035 0.000 2.167 303 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 303 Q C 2.277 178.213 176.000 -0.107 0.000 0.970 303 Q CA 1.327 57.134 55.803 0.006 0.000 0.855 303 Q CB -0.137 28.638 28.738 0.062 0.000 0.911 303 Q HN 0.493 nan 8.270 nan 0.000 0.438 304 R N -0.331 120.049 120.500 -0.199 0.000 2.090 304 R HA -0.045 4.295 4.340 -0.000 0.000 0.228 304 R C 2.265 178.403 176.300 -0.270 0.000 1.110 304 R CA 1.425 57.342 56.100 -0.306 0.000 0.973 304 R CB -0.127 29.846 30.300 -0.543 0.000 0.869 304 R HN 0.174 nan 8.270 nan 0.000 0.440 305 T N 1.632 116.023 114.554 -0.271 0.000 2.746 305 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 305 T C 1.825 176.345 174.700 -0.302 0.000 1.039 305 T CA 0.943 62.843 62.100 -0.334 0.000 1.142 305 T CB -0.095 68.444 68.868 -0.549 0.000 0.866 305 T HN 0.132 nan 8.240 nan 0.000 0.444 306 L N 0.689 121.733 121.223 -0.298 0.000 2.131 306 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 306 L C 2.779 179.607 176.870 -0.071 0.000 1.092 306 L CA 1.143 55.885 54.840 -0.163 0.000 0.759 306 L CB -0.392 41.613 42.059 -0.091 0.000 0.903 306 L HN 0.202 nan 8.230 nan 0.000 0.435 307 E N 0.015 120.165 120.200 -0.084 0.000 2.106 307 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 307 E C 2.105 178.686 176.600 -0.032 0.000 0.984 307 E CA 1.003 57.372 56.400 -0.052 0.000 0.806 307 E CB -0.118 29.531 29.700 -0.085 0.000 0.750 307 E HN 0.190 nan 8.360 nan 0.000 0.458 308 V N 0.819 120.701 119.914 -0.053 0.000 2.343 308 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 308 V C 2.404 178.545 176.094 0.079 0.000 1.051 308 V CA 1.445 63.754 62.300 0.014 0.000 1.036 308 V CB -0.473 31.315 31.823 -0.058 0.000 0.654 308 V HN 0.335 nan 8.190 nan 0.000 0.451 309 L N -0.467 120.760 121.223 0.007 0.000 2.042 309 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 309 L C 2.557 179.532 176.870 0.176 0.000 1.076 309 L CA 1.966 56.855 54.840 0.081 0.000 0.749 309 L CB -0.820 41.288 42.059 0.082 0.000 0.893 309 L HN 0.341 nan 8.230 nan 0.000 0.432 310 K N -0.317 120.143 120.400 0.099 0.000 2.026 310 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 310 K C 1.979 178.609 176.600 0.049 0.000 1.048 310 K CA 1.849 58.182 56.287 0.075 0.000 0.929 310 K CB -0.093 32.430 32.500 0.038 0.000 0.713 310 K HN 0.227 nan 8.250 nan 0.000 0.439 311 T N -0.036 114.531 114.554 0.021 0.000 2.929 311 T HA -0.111 4.239 4.350 -0.000 0.000 0.271 311 T C 0.926 175.477 174.700 -0.248 0.000 1.085 311 T CA 1.000 63.040 62.100 -0.100 0.000 1.125 311 T CB -0.138 68.659 68.868 -0.117 0.000 0.874 311 T HN 0.309 nan 8.240 nan 0.000 0.494 312 H N -0.728 118.381 119.070 0.065 0.000 2.592 312 H HA 0.361 4.917 4.556 -0.000 0.000 0.279 312 H C 1.716 177.169 175.328 0.208 0.000 1.089 312 H CA 0.355 56.478 56.048 0.125 0.000 1.150 312 H CB 0.545 30.383 29.762 0.126 0.000 1.575 312 H HN 0.464 nan 8.280 nan 0.000 0.547 313 G N 0.955 109.873 108.800 0.196 0.000 2.143 313 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.248 313 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.248 313 G C -0.449 174.499 174.900 0.080 0.000 0.991 313 G CA -0.034 45.124 45.100 0.097 0.000 0.689 313 G HN 0.247 nan 8.290 nan 0.000 0.522 314 W N 0.581 121.887 121.300 0.010 0.000 2.449 314 W HA 0.695 5.355 4.660 -0.000 0.000 0.331 314 W C 0.759 177.275 176.519 -0.005 0.000 1.119 314 W CA -0.174 57.167 57.345 -0.007 0.000 1.240 314 W CB 1.535 30.996 29.460 0.002 0.000 1.251 314 W HN 0.241 nan 8.180 nan 0.000 0.576 315 S N 2.785 118.597 115.700 0.187 0.000 2.562 315 S HA 0.305 4.775 4.470 -0.000 0.000 0.275 315 S C -1.578 173.128 174.600 0.177 0.000 1.281 315 S CA -1.376 56.900 58.200 0.126 0.000 1.045 315 S CB 1.099 64.325 63.200 0.043 0.000 0.962 315 S HN 0.223 nan 8.310 nan 0.000 0.503 316 P HA -0.041 nan 4.420 nan 0.000 0.225 316 P C 1.209 178.617 177.300 0.180 0.000 1.148 316 P CA 0.764 63.956 63.100 0.154 0.000 0.779 316 P CB -0.039 31.732 31.700 0.117 0.000 0.780 317 S N -1.308 114.486 115.700 0.157 0.000 2.603 317 S HA -0.014 4.456 4.470 -0.000 0.000 0.229 317 S C 1.667 176.411 174.600 0.239 0.000 0.972 317 S CA 0.382 58.691 58.200 0.181 0.000 0.935 317 S CB -0.626 62.649 63.200 0.125 0.000 0.769 317 S HN 0.025 nan 8.310 nan 0.000 0.536 318 R N 0.196 120.826 120.500 0.217 0.000 2.310 318 R HA 0.271 4.611 4.340 -0.000 0.000 0.202 318 R C -0.178 176.340 176.300 0.363 0.000 0.933 318 R CA -0.027 56.203 56.100 0.216 0.000 1.054 318 R CB -0.830 29.640 30.300 0.284 0.000 0.985 318 R HN 0.413 nan 8.270 nan 0.000 0.489 319 C N 1.513 121.013 119.300 0.332 0.000 2.307 319 C HA 0.539 4.999 4.460 -0.000 0.000 0.340 319 C C 0.644 175.824 174.990 0.318 0.000 1.275 319 C CA -0.616 58.578 59.018 0.292 0.000 1.811 319 C CB 0.163 28.087 27.740 0.306 0.000 2.372 319 C HN 0.266 nan 8.230 nan 0.000 0.531 320 I N 4.827 125.545 120.570 0.247 0.000 2.641 320 I HA 0.224 4.394 4.170 -0.000 0.000 0.275 320 I C -2.434 173.779 176.117 0.160 0.000 1.129 320 I CA -1.460 59.970 61.300 0.217 0.000 1.094 320 I CB 1.277 39.397 38.000 0.201 0.000 1.232 320 I HN 0.322 nan 8.210 nan 0.000 0.503 321 P HA -0.073 nan 4.420 nan 0.000 0.265 321 P C -0.415 176.946 177.300 0.100 0.000 1.187 321 P CA 0.432 63.602 63.100 0.116 0.000 0.766 321 P CB 0.311 32.016 31.700 0.008 0.000 0.820 322 H N 1.746 120.856 119.070 0.068 0.000 2.508 322 H HA 0.374 4.929 4.556 -0.000 0.000 0.358 322 H C 1.259 176.620 175.328 0.056 0.000 1.212 322 H CA 0.716 56.820 56.048 0.094 0.000 1.356 322 H CB 0.655 30.512 29.762 0.158 0.000 1.525 322 H HN 0.693 nan 8.280 nan 0.000 0.578 323 G N 0.765 109.107 108.800 -0.764 0.000 2.391 323 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.204 323 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.204 323 G C 1.070 175.925 174.900 -0.075 0.000 1.012 323 G CA 0.422 45.373 45.100 -0.249 0.000 0.651 323 G HN 1.620 nan 8.290 nan 0.000 0.494 324 G N 0.299 108.859 108.800 -0.399 0.000 2.305 324 G HA2 0.066 4.026 3.960 -0.000 0.000 0.287 324 G HA3 0.066 4.026 3.960 -0.000 0.000 0.287 324 G C 0.130 174.984 174.900 -0.076 0.000 1.036 324 G CA 1.666 46.540 45.100 -0.377 0.000 0.887 324 G HN 2.391 nan 8.290 nan 0.000 0.505 325 H N -4.031 115.070 119.070 0.050 0.000 2.651 325 H HA 0.755 5.310 4.556 -0.000 0.000 0.353 325 H C 1.085 176.470 175.328 0.095 0.000 1.178 325 H CA -0.889 55.252 56.048 0.155 0.000 1.224 325 H CB 0.736 30.562 29.762 0.106 0.000 1.702 325 H HN 0.003 nan 8.280 nan 0.000 0.550 326 Q N 0.423 120.441 119.800 0.363 0.000 2.291 326 Q HA -0.081 4.259 4.340 -0.000 0.000 0.206 326 Q C 1.842 177.902 176.000 0.100 0.000 0.976 326 Q CA 1.456 57.372 55.803 0.188 0.000 0.875 326 Q CB -0.179 28.634 28.738 0.125 0.000 0.927 326 Q HN 0.749 nan 8.270 nan 0.000 0.450 327 M N -0.173 119.561 119.600 0.224 0.000 2.080 327 M HA -0.159 4.321 4.480 -0.000 0.000 0.260 327 M C 1.795 178.128 176.300 0.055 0.000 1.068 327 M CA 1.718 57.078 55.300 0.100 0.000 1.109 327 M CB -0.376 32.255 32.600 0.051 0.000 1.342 327 M HN 0.052 nan 8.290 nan 0.000 0.405 328 S N 0.422 116.168 115.700 0.076 0.000 2.368 328 S HA -0.101 4.369 4.470 -0.000 0.000 0.225 328 S C 1.868 176.409 174.600 -0.098 0.000 1.030 328 S CA 1.556 59.676 58.200 -0.134 0.000 0.999 328 S CB -0.641 62.358 63.200 -0.334 0.000 0.844 328 S HN 0.554 nan 8.310 nan 0.000 0.459 329 L N 1.796 122.987 121.223 -0.053 0.000 2.042 329 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 329 L C 2.413 179.244 176.870 -0.064 0.000 1.076 329 L CA 1.114 55.929 54.840 -0.041 0.000 0.749 329 L CB -0.663 41.406 42.059 0.017 0.000 0.893 329 L HN 0.356 nan 8.230 nan 0.000 0.432 330 N N 0.226 118.910 118.700 -0.026 0.000 2.084 330 N HA -0.142 4.598 4.740 -0.000 0.000 0.190 330 N C 1.937 177.448 175.510 0.001 0.000 1.030 330 N CA 1.493 54.566 53.050 0.038 0.000 0.849 330 N CB -0.097 38.428 38.487 0.064 0.000 1.012 330 N HN 0.341 nan 8.380 nan 0.000 0.423 331 I N 1.356 121.875 120.570 -0.084 0.000 2.226 331 I HA -0.223 3.946 4.170 -0.000 0.000 0.245 331 I C 2.494 178.571 176.117 -0.067 0.000 1.100 331 I CA 0.794 62.017 61.300 -0.128 0.000 1.374 331 I CB -0.344 37.501 38.000 -0.259 0.000 1.057 331 I HN 0.052 nan 8.210 nan 0.000 0.413 332 A N 0.982 123.769 122.820 -0.055 0.000 1.858 332 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 332 A C 2.574 180.149 177.584 -0.015 0.000 1.190 332 A CA 2.020 54.052 52.037 -0.008 0.000 0.617 332 A CB -0.937 18.062 19.000 -0.001 0.000 0.827 332 A HN 0.423 nan 8.150 nan 0.000 0.443 333 A N -0.806 121.972 122.820 -0.070 0.000 1.933 333 A HA 0.135 4.455 4.320 -0.000 0.000 0.218 333 A C 2.355 179.942 177.584 0.005 0.000 1.175 333 A CA 1.999 53.964 52.037 -0.120 0.000 0.628 333 A CB -1.204 17.540 19.000 -0.426 0.000 0.814 333 A HN 0.721 nan 8.150 nan 0.000 0.444 334 G N -0.805 108.036 108.800 0.069 0.000 2.411 334 G HA2 0.087 4.047 3.960 -0.000 0.000 0.213 334 G HA3 0.087 4.047 3.960 -0.000 0.000 0.213 334 G C 1.282 176.182 174.900 -0.000 0.000 1.166 334 G CA 0.740 45.898 45.100 0.097 0.000 0.802 334 G HN 0.409 nan 8.290 nan 0.000 0.533 335 L N 0.393 121.586 121.223 -0.050 0.000 2.640 335 L HA 0.329 4.669 4.340 -0.000 0.000 0.230 335 L C 1.535 178.403 176.870 -0.004 0.000 1.123 335 L CA 0.245 55.029 54.840 -0.093 0.000 0.900 335 L CB 0.178 42.137 42.059 -0.168 0.000 1.146 335 L HN 0.310 nan 8.230 nan 0.000 0.484 336 G N 1.406 110.223 108.800 0.029 0.000 2.256 336 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.272 336 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.272 336 G C 0.081 175.041 174.900 0.100 0.000 1.076 336 G CA -0.143 44.994 45.100 0.062 0.000 0.882 336 G HN 0.210 nan 8.290 nan 0.000 0.497 337 L N -0.804 120.488 121.223 0.114 0.000 2.475 337 L HA 0.502 4.842 4.340 -0.000 0.000 0.253 337 L C 2.108 179.100 176.870 0.204 0.000 1.198 337 L CA 0.046 54.990 54.840 0.172 0.000 0.814 337 L CB 0.267 42.429 42.059 0.171 0.000 1.134 337 L HN 0.217 nan 8.230 nan 0.000 0.478 338 G N -0.742 108.227 108.800 0.282 0.000 2.484 338 G HA2 0.340 4.300 3.960 -0.000 0.000 0.218 338 G HA3 0.340 4.300 3.960 -0.000 0.000 0.218 338 G C 0.551 175.661 174.900 0.351 0.000 1.130 338 G CA 0.752 46.068 45.100 0.361 0.000 0.784 338 G HN 0.953 nan 8.290 nan 0.000 0.543 339 G N -1.163 107.817 108.800 0.300 0.000 2.356 339 G HA2 0.269 4.229 3.960 -0.000 0.000 0.266 339 G HA3 0.269 4.229 3.960 -0.000 0.000 0.266 339 G C -1.780 173.217 174.900 0.162 0.000 1.312 339 G CA -0.255 45.021 45.100 0.293 0.000 0.922 339 G HN 0.438 nan 8.290 nan 0.000 0.480 340 N N -0.660 118.076 118.700 0.060 0.000 2.494 340 N HA 0.418 5.158 4.740 -0.000 0.000 0.270 340 N C -1.046 174.343 175.510 -0.202 0.000 1.285 340 N CA -0.536 52.487 53.050 -0.045 0.000 0.812 340 N CB 2.623 41.054 38.487 -0.094 0.000 1.557 340 N HN 0.635 nan 8.380 nan 0.000 0.487 341 E N 0.526 120.520 120.200 -0.344 0.000 2.349 341 E HA 0.329 4.679 4.350 -0.000 0.000 0.262 341 E C -1.346 174.754 176.600 -0.833 0.000 1.088 341 E CA -0.275 55.592 56.400 -0.888 0.000 0.899 341 E CB 1.203 30.482 29.700 -0.701 0.000 1.044 341 E HN 0.360 nan 8.360 nan 0.000 0.420 342 S N 2.006 117.065 115.700 -1.067 0.000 2.536 342 S HA 0.429 4.898 4.470 -0.000 0.000 0.271 342 S C -1.988 172.082 174.600 -0.882 0.000 1.134 342 S CA -0.630 57.108 58.200 -0.771 0.000 0.897 342 S CB 0.515 63.523 63.200 -0.321 0.000 1.094 342 S HN 0.449 nan 8.310 nan 0.000 0.473 343 Y N 3.733 123.834 120.300 -0.331 0.000 2.555 343 Y HA 0.390 4.940 4.550 -0.000 0.000 0.326 343 Y C -2.046 173.688 175.900 -0.277 0.000 0.984 343 Y CA -2.005 55.912 58.100 -0.305 0.000 1.298 343 Y CB 1.234 39.607 38.460 -0.144 0.000 1.094 343 Y HN 0.490 nan 8.280 nan 0.000 0.500 344 P HA -0.071 nan 4.420 nan 0.000 0.222 344 P C 0.188 177.502 177.300 0.023 0.000 1.147 344 P CA 1.496 64.582 63.100 -0.024 0.000 0.790 344 P CB 0.498 32.246 31.700 0.079 0.000 0.780 345 D N -1.612 118.794 120.400 0.010 0.000 2.563 345 D HA 0.248 4.888 4.640 -0.000 0.000 0.237 345 D C 0.154 176.308 176.300 -0.243 0.000 1.282 345 D CA 0.155 54.110 54.000 -0.076 0.000 0.816 345 D CB 0.893 41.669 40.800 -0.040 0.000 1.066 345 D HN 0.186 nan 8.370 nan 0.000 0.501 346 L N -0.613 120.393 121.223 -0.362 0.000 2.393 346 L HA 0.385 4.725 4.340 -0.000 0.000 0.260 346 L C 0.091 176.551 176.870 -0.683 0.000 1.002 346 L CA -1.006 53.328 54.840 -0.843 0.000 0.818 346 L CB 1.921 43.003 42.059 -1.630 0.000 1.369 346 L HN -0.060 nan 8.230 nan 0.000 0.412 347 F N -1.099 118.759 119.950 -0.154 0.000 3.048 347 F HA -0.258 4.269 4.527 -0.000 0.000 0.287 347 F C 0.818 176.626 175.800 0.012 0.000 0.796 347 F CA 0.037 57.995 58.000 -0.071 0.000 1.111 347 F CB -1.375 37.566 39.000 -0.100 0.000 1.320 347 F HN 0.557 nan 8.300 nan 0.000 0.430 348 Q N 2.233 122.058 119.800 0.043 0.000 2.373 348 Q HA 0.115 4.455 4.340 -0.000 0.000 0.255 348 Q C -0.933 175.035 176.000 -0.053 0.000 0.980 348 Q CA -0.935 54.851 55.803 -0.029 0.000 0.882 348 Q CB 0.520 29.212 28.738 -0.076 0.000 1.249 348 Q HN 0.078 nan 8.270 nan 0.000 0.438 349 P HA -0.013 nan 4.420 nan 0.000 0.249 349 P C -0.547 176.400 177.300 -0.588 0.000 1.229 349 P CA 0.362 63.211 63.100 -0.419 0.000 0.788 349 P CB 0.145 31.565 31.700 -0.468 0.000 1.072 350 Y N 1.495 121.610 120.300 -0.309 0.000 2.532 350 Y HA 0.500 5.049 4.550 -0.000 0.000 0.337 350 Y C 1.633 177.441 175.900 -0.154 0.000 1.274 350 Y CA 0.642 58.346 58.100 -0.661 0.000 1.817 350 Y CB -0.464 37.440 38.460 -0.927 0.000 1.769 350 Y HN 0.106 nan 8.280 nan 0.000 0.447 351 G N -1.063 107.802 108.800 0.107 0.000 2.356 351 G HA2 0.466 4.426 3.960 -0.000 0.000 0.288 351 G HA3 0.466 4.426 3.960 -0.000 0.000 0.288 351 G C -0.281 174.625 174.900 0.010 0.000 1.302 351 G CA 0.046 45.290 45.100 0.240 0.000 0.887 351 G HN 1.044 nan 8.290 nan 0.000 0.521 352 G N -1.687 106.971 108.800 -0.237 0.000 2.508 352 G HA2 0.412 4.372 3.960 -0.000 0.000 0.220 352 G HA3 0.412 4.372 3.960 -0.000 0.000 0.220 352 G C -0.512 173.954 174.900 -0.723 0.000 1.287 352 G CA 0.371 45.098 45.100 -0.621 0.000 0.916 352 G HN 1.754 nan 8.290 nan 0.000 0.574 353 F N 0.008 120.003 119.950 0.074 0.000 2.650 353 F HA 0.704 5.231 4.527 -0.000 0.000 0.320 353 F C -2.303 173.535 175.800 0.063 0.000 1.091 353 F CA -2.102 55.931 58.000 0.055 0.000 0.962 353 F CB 1.144 40.150 39.000 0.010 0.000 1.363 353 F HN 0.330 nan 8.300 nan 0.000 0.482 354 P HA 0.132 nan 4.420 nan 0.000 0.276 354 P C -1.053 176.323 177.300 0.128 0.000 1.230 354 P CA -0.196 63.000 63.100 0.159 0.000 0.776 354 P CB 0.371 32.143 31.700 0.121 0.000 0.888 355 D N 2.378 122.835 120.400 0.095 0.000 2.658 355 D HA 0.150 4.790 4.640 -0.000 0.000 0.230 355 D C 1.598 177.932 176.300 0.057 0.000 1.118 355 D CA 1.977 56.020 54.000 0.071 0.000 0.848 355 D CB 0.011 40.842 40.800 0.052 0.000 1.160 355 D HN 0.676 nan 8.370 nan 0.000 0.497 356 G N 1.127 109.958 108.800 0.051 0.000 2.561 356 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.203 356 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.203 356 G C 0.282 175.192 174.900 0.017 0.000 1.101 356 G CA -0.085 45.033 45.100 0.029 0.000 0.711 356 G HN 0.719 nan 8.290 nan 0.000 0.511 357 V N 4.524 124.451 119.914 0.020 0.000 2.521 357 V HA 0.638 4.758 4.120 -0.000 0.000 0.286 357 V C 0.637 176.704 176.094 -0.044 0.000 1.034 357 V CA 0.438 62.717 62.300 -0.035 0.000 1.045 357 V CB 0.414 32.192 31.823 -0.074 0.000 0.974 357 V HN 0.756 nan 8.190 nan 0.000 0.480 358 R N 4.934 125.380 120.500 -0.090 0.000 2.711 358 R HA 0.721 5.061 4.340 -0.000 0.000 0.284 358 R C -1.265 174.914 176.300 -0.201 0.000 0.968 358 R CA -0.948 55.096 56.100 -0.093 0.000 0.924 358 R CB 1.609 31.879 30.300 -0.051 0.000 1.162 358 R HN 0.435 nan 8.270 nan 0.000 0.465 359 V N 2.607 122.366 119.914 -0.259 0.000 2.521 359 V HA 0.061 4.180 4.120 -0.000 0.000 0.286 359 V C 0.211 176.150 176.094 -0.259 0.000 1.034 359 V CA 0.256 62.319 62.300 -0.394 0.000 1.045 359 V CB 0.580 31.982 31.823 -0.703 0.000 0.974 359 V HN 0.742 nan 8.190 nan 0.000 0.480 360 E N 5.160 125.244 120.200 -0.194 0.000 2.186 360 E HA 0.304 4.654 4.350 -0.000 0.000 0.255 360 E C -0.458 176.118 176.600 -0.040 0.000 0.881 360 E CA -0.633 55.705 56.400 -0.104 0.000 0.752 360 E CB 1.022 30.674 29.700 -0.080 0.000 1.176 360 E HN 0.710 nan 8.360 nan 0.000 0.421 361 N N 2.096 120.779 118.700 -0.029 0.000 2.727 361 N HA -0.206 4.534 4.740 -0.000 0.000 0.251 361 N C 0.724 176.330 175.510 0.160 0.000 1.040 361 N CA 1.188 54.268 53.050 0.050 0.000 0.712 361 N CB -1.114 37.408 38.487 0.058 0.000 0.912 361 N HN 1.043 nan 8.380 nan 0.000 0.545 362 G N -0.943 107.843 108.800 -0.024 0.000 2.168 362 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.257 362 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.257 362 G C -0.125 174.585 174.900 -0.316 0.000 0.997 362 G CA 1.232 46.251 45.100 -0.135 0.000 0.708 362 G HN 0.833 nan 8.290 nan 0.000 0.520 363 H N -1.093 117.863 119.070 -0.189 0.000 2.928 363 H HA 0.734 5.290 4.556 -0.000 0.000 0.371 363 H C 0.173 175.317 175.328 -0.307 0.000 1.186 363 H CA -0.256 55.682 56.048 -0.183 0.000 1.134 363 H CB 1.674 31.394 29.762 -0.069 0.000 1.824 363 H HN 0.619 nan 8.280 nan 0.000 0.554 364 I N -2.129 118.311 120.570 -0.217 0.000 2.934 364 I HA 0.706 4.876 4.170 -0.000 0.000 0.306 364 I C -0.823 175.160 176.117 -0.224 0.000 1.110 364 I CA -0.540 60.547 61.300 -0.354 0.000 1.019 364 I CB 2.416 39.973 38.000 -0.738 0.000 1.227 364 I HN 0.443 nan 8.210 nan 0.000 0.434 365 T N 4.973 119.403 114.554 -0.207 0.000 2.791 365 T HA 0.471 4.820 4.350 -0.000 0.000 0.288 365 T C -0.100 174.504 174.700 -0.160 0.000 0.999 365 T CA -0.465 61.542 62.100 -0.155 0.000 0.952 365 T CB 0.902 69.708 68.868 -0.103 0.000 0.938 365 T HN 0.466 nan 8.240 nan 0.000 0.444 366 M N 5.969 125.440 119.600 -0.215 0.000 2.356 366 M HA 0.169 4.649 4.480 -0.000 0.000 0.348 366 M C -1.955 174.324 176.300 -0.035 0.000 1.595 366 M CA -2.186 52.990 55.300 -0.207 0.000 1.095 366 M CB -0.460 31.791 32.600 -0.582 0.000 1.963 366 M HN 0.318 nan 8.290 nan 0.000 0.459 367 P HA 0.117 nan 4.420 nan 0.000 0.277 367 P C -0.635 176.777 177.300 0.187 0.000 1.240 367 P CA -0.271 62.881 63.100 0.086 0.000 0.798 367 P CB 0.954 32.687 31.700 0.055 0.000 0.979 368 D N 2.151 122.642 120.400 0.152 0.000 2.688 368 D HA 0.174 4.814 4.640 -0.000 0.000 0.228 368 D C 0.170 176.503 176.300 0.054 0.000 1.116 368 D CA 0.301 54.377 54.000 0.127 0.000 1.023 368 D CB -0.176 40.668 40.800 0.072 0.000 1.100 368 D HN 0.232 nan 8.370 nan 0.000 0.487 369 L N 2.322 123.588 121.223 0.073 0.000 2.334 369 L HA 0.341 4.680 4.340 -0.000 0.000 0.277 369 L C -1.890 174.977 176.870 -0.005 0.000 1.075 369 L CA -1.895 52.963 54.840 0.029 0.000 0.804 369 L CB 1.188 43.271 42.059 0.040 0.000 1.174 369 L HN -0.059 nan 8.230 nan 0.000 0.438 370 P HA 0.128 nan 4.420 nan 0.000 0.271 370 P C 0.358 177.651 177.300 -0.012 0.000 1.216 370 P CA 0.534 63.619 63.100 -0.025 0.000 0.776 370 P CB 1.120 32.813 31.700 -0.011 0.000 0.881 371 G N 2.830 111.620 108.800 -0.018 0.000 2.539 371 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.256 371 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.256 371 G C 0.886 175.766 174.900 -0.033 0.000 1.233 371 G CA 0.083 45.184 45.100 0.002 0.000 0.936 371 G HN 0.429 nan 8.290 nan 0.000 0.571 372 I N 1.726 122.233 120.570 -0.105 0.000 2.394 372 I HA 0.175 4.345 4.170 -0.000 0.000 0.251 372 I C 2.361 178.322 176.117 -0.260 0.000 1.136 372 I CA 1.783 62.918 61.300 -0.275 0.000 1.425 372 I CB -0.435 37.144 38.000 -0.702 0.000 1.079 372 I HN 1.964 nan 8.210 nan 0.000 0.425 373 G N -0.143 108.553 108.800 -0.174 0.000 2.138 373 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.193 373 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.193 373 G C 0.627 175.544 174.900 0.028 0.000 0.998 373 G CA -0.222 44.850 45.100 -0.047 0.000 0.668 373 G HN 0.333 nan 8.290 nan 0.000 0.516 374 F N 0.642 120.672 119.950 0.133 0.000 2.202 374 F HA -0.037 4.490 4.527 -0.000 0.000 0.301 374 F C 2.528 178.360 175.800 0.052 0.000 1.082 374 F CA 1.401 59.488 58.000 0.146 0.000 1.313 374 F CB 0.033 39.174 39.000 0.236 0.000 1.024 374 F HN 0.245 nan 8.300 nan 0.000 0.495 375 E N 0.210 120.458 120.200 0.079 0.000 2.209 375 E HA -0.159 4.191 4.350 -0.000 0.000 0.196 375 E C 2.349 178.885 176.600 -0.107 0.000 0.993 375 E CA 1.018 57.231 56.400 -0.312 0.000 0.819 375 E CB -0.752 28.692 29.700 -0.425 0.000 0.745 375 E HN 0.374 nan 8.360 nan 0.000 0.477 376 G N 0.229 109.037 108.800 0.013 0.000 2.559 376 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 376 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 376 G C 0.611 175.557 174.900 0.076 0.000 1.126 376 G CA 0.030 45.154 45.100 0.041 0.000 0.778 376 G HN 0.097 nan 8.290 nan 0.000 0.543 377 K N 1.227 121.696 120.400 0.116 0.000 2.419 377 K HA 0.291 4.611 4.320 -0.000 0.000 0.244 377 K C 1.727 178.388 176.600 0.102 0.000 1.045 377 K CA 0.128 56.480 56.287 0.108 0.000 1.004 377 K CB 0.702 33.281 32.500 0.133 0.000 1.376 377 K HN 0.143 nan 8.250 nan 0.000 0.460 378 S N 2.743 118.493 115.700 0.083 0.000 2.368 378 S HA -0.263 4.206 4.470 -0.000 0.000 0.226 378 S C 1.407 176.031 174.600 0.041 0.000 1.044 378 S CA 1.913 60.168 58.200 0.093 0.000 1.062 378 S CB -0.368 62.868 63.200 0.062 0.000 0.931 378 S HN 0.815 nan 8.310 nan 0.000 0.440 379 D N 1.275 121.668 120.400 -0.013 0.000 2.218 379 D HA -0.087 4.553 4.640 -0.000 0.000 0.204 379 D C 2.018 178.226 176.300 -0.153 0.000 0.976 379 D CA 0.837 54.792 54.000 -0.076 0.000 0.853 379 D CB -0.404 40.345 40.800 -0.085 0.000 0.939 379 D HN 0.510 nan 8.370 nan 0.000 0.481 380 L N -0.947 120.191 121.223 -0.143 0.000 2.145 380 L HA -0.082 4.258 4.340 -0.000 0.000 0.201 380 L C 2.509 179.265 176.870 -0.190 0.000 1.075 380 L CA 0.474 55.155 54.840 -0.265 0.000 0.773 380 L CB -0.307 41.624 42.059 -0.213 0.000 0.936 380 L HN -0.121 nan 8.230 nan 0.000 0.451 381 Y N 1.384 121.584 120.300 -0.166 0.000 2.256 381 Y HA -0.326 4.224 4.550 -0.000 0.000 0.288 381 Y C 2.605 178.399 175.900 -0.176 0.000 1.155 381 Y CA 1.965 59.965 58.100 -0.167 0.000 1.203 381 Y CB -0.263 38.166 38.460 -0.052 0.000 0.980 381 Y HN 0.135 nan 8.280 nan 0.000 0.530 382 K N -0.001 120.266 120.400 -0.221 0.000 2.063 382 K HA -0.273 4.047 4.320 -0.000 0.000 0.208 382 K C 1.986 178.409 176.600 -0.294 0.000 1.048 382 K CA 2.008 58.141 56.287 -0.256 0.000 0.928 382 K CB -0.172 32.248 32.500 -0.132 0.000 0.713 382 K HN 0.216 nan 8.250 nan 0.000 0.442 383 E N 0.439 120.481 120.200 -0.264 0.000 2.077 383 E HA -0.122 4.227 4.350 -0.000 0.000 0.193 383 E C 1.956 178.401 176.600 -0.257 0.000 0.989 383 E CA 1.575 57.848 56.400 -0.213 0.000 0.800 383 E CB -0.017 29.566 29.700 -0.195 0.000 0.746 383 E HN 0.348 nan 8.360 nan 0.000 0.452 384 M N 0.295 119.642 119.600 -0.422 0.000 2.099 384 M HA -0.146 4.334 4.480 -0.000 0.000 0.262 384 M C 2.109 178.067 176.300 -0.569 0.000 1.067 384 M CA 1.781 56.709 55.300 -0.621 0.000 1.124 384 M CB -0.408 31.525 32.600 -1.113 0.000 1.353 384 M HN 0.008 nan 8.290 nan 0.000 0.410 385 K N 0.593 120.568 120.400 -0.709 0.000 2.362 385 K HA 0.064 4.383 4.320 -0.000 0.000 0.200 385 K C 1.757 178.241 176.600 -0.194 0.000 1.046 385 K CA 1.250 57.283 56.287 -0.424 0.000 0.952 385 K CB -0.287 31.822 32.500 -0.652 0.000 0.753 385 K HN 0.222 nan 8.250 nan 0.000 0.466 386 A N 1.460 124.158 122.820 -0.203 0.000 2.016 386 A HA -0.014 4.306 4.320 -0.000 0.000 0.217 386 A C 2.057 179.615 177.584 -0.043 0.000 1.162 386 A CA 0.717 52.691 52.037 -0.105 0.000 0.662 386 A CB -0.313 18.624 19.000 -0.105 0.000 0.812 386 A HN 0.336 nan 8.150 nan 0.000 0.450 387 L N -1.313 119.894 121.223 -0.028 0.000 2.068 387 L HA 0.411 4.751 4.340 -0.000 0.000 0.204 387 L C 0.769 177.688 176.870 0.082 0.000 1.076 387 L CA 1.740 56.604 54.840 0.039 0.000 0.753 387 L CB -0.249 41.857 42.059 0.077 0.000 0.910 387 L HN 0.411 nan 8.230 nan 0.000 0.439 388 A N -1.155 121.749 122.820 0.140 0.000 2.577 388 A HA 0.653 4.973 4.320 -0.000 0.000 0.297 388 A C -0.887 176.816 177.584 0.198 0.000 1.060 388 A CA -0.510 51.618 52.037 0.152 0.000 0.697 388 A CB 1.030 20.123 19.000 0.155 0.000 1.281 388 A HN 0.227 nan 8.150 nan 0.000 0.402 389 E N 0.000 120.279 120.200 0.132 0.000 2.725 389 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 389 E CA 0.000 56.488 56.400 0.146 0.000 0.976 389 E CB 0.000 29.759 29.700 0.098 0.000 0.812 389 E HN 0.000 nan 8.360 nan 0.000 0.440