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 1sat_1_A DATA FIRST_RESID 4 DATA SEQUENCE TGYDAVDDLL HYHERGNGIQ INGKDSFSNE QAGLFITREN QTWNGYKVFG DATA SEQUENCE QPVKLTFSFP DYKFSSTNVA GDTGLSKFSA EQQQQAKLSL QSWADVANIT DATA SEQUENCE FTEVAAGQKA NITFGNYSQD RPGHYDYGTQ AYAFLPNTIW QGQDLGGQTW DATA SEQUENCE YNVNQSNVKH PATEDYGRQT FTHEIGHALG LSHPGDYNAG EGDPTYADVT DATA SEQUENCE YAEDTRQFSL MSYWSETNTG GDNGGHYAAA PLLDDIAAIQ HLYGANLSTR DATA SEQUENCE TGDTVYGFNS NTGRDFLSTT SNSQKVIFAA WDAGGNDTFD FSGYTANQRI DATA SEQUENCE NLNEKSFSDV GGLKGNVSIA AGVTIENAIG GSGNDVIVGN AANNVLKGGA DATA SEQUENCE GNDVLFGGGG ADELWGGAGK DIFVFSAASD SAPGASDWIR DFQKGIDKID DATA SEQUENCE LSFFDKEANS SSFIHFVDHF SGTAGEALLS YNASSNVTDL SVNIGGHAAP DATA SEQUENCE DFLVKIVGQV DVATDFIV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.747 174.700 0.078 0.000 1.109 4 T CA 0.000 62.158 62.100 0.096 0.000 1.349 4 T CB 0.000 68.961 68.868 0.156 0.000 0.612 5 G N -0.554 108.309 108.800 0.105 0.000 2.408 5 G HA2 -0.095 3.867 3.960 0.003 0.000 0.217 5 G HA3 -0.095 3.867 3.960 0.003 0.000 0.217 5 G C 1.060 175.997 174.900 0.062 0.000 1.150 5 G CA 1.060 46.204 45.100 0.073 0.000 0.776 5 G HN 0.754 nan 8.290 nan 0.000 0.542 6 Y N 1.983 122.309 120.300 0.044 0.000 2.224 6 Y HA -0.125 4.427 4.550 0.003 0.000 0.289 6 Y C 2.418 178.309 175.900 -0.015 0.000 1.146 6 Y CA 1.718 59.827 58.100 0.015 0.000 1.182 6 Y CB -0.069 38.444 38.460 0.087 0.000 0.983 6 Y HN 0.181 nan 8.280 nan 0.000 0.524 7 D N -0.054 120.309 120.400 -0.063 0.000 2.123 7 D HA -0.212 4.430 4.640 0.003 0.000 0.196 7 D C 2.282 178.464 176.300 -0.197 0.000 0.992 7 D CA 1.556 55.484 54.000 -0.118 0.000 0.833 7 D CB -0.565 40.227 40.800 -0.014 0.000 0.954 7 D HN 0.473 nan 8.370 nan 0.000 0.455 8 A N 0.651 123.376 122.820 -0.157 0.000 1.933 8 A HA -0.119 4.203 4.320 0.003 0.000 0.218 8 A C 2.572 180.020 177.584 -0.227 0.000 1.175 8 A CA 1.108 53.051 52.037 -0.156 0.000 0.628 8 A CB -0.649 18.288 19.000 -0.104 0.000 0.814 8 A HN 0.145 nan 8.150 nan 0.000 0.444 9 V N 0.350 120.066 119.914 -0.330 0.000 2.307 9 V HA -0.241 3.881 4.120 0.003 0.000 0.245 9 V C 2.343 178.144 176.094 -0.488 0.000 1.045 9 V CA 2.434 64.466 62.300 -0.446 0.000 1.024 9 V CB -0.787 30.636 31.823 -0.666 0.000 0.651 9 V HN 0.711 nan 8.190 nan 0.000 0.449 10 D N -0.022 119.997 120.400 -0.636 0.000 2.149 10 D HA -0.226 4.416 4.640 0.003 0.000 0.198 10 D C 1.782 178.038 176.300 -0.073 0.000 0.990 10 D CA 1.704 55.468 54.000 -0.394 0.000 0.839 10 D CB -0.138 40.398 40.800 -0.441 0.000 0.948 10 D HN 0.524 nan 8.370 nan 0.000 0.460 11 D N -1.296 119.024 120.400 -0.135 0.000 2.097 11 D HA -0.136 4.506 4.640 0.003 0.000 0.195 11 D C 1.837 178.096 176.300 -0.067 0.000 0.989 11 D CA 0.721 54.677 54.000 -0.073 0.000 0.827 11 D CB -0.062 40.662 40.800 -0.127 0.000 0.966 11 D HN 0.141 nan 8.370 nan 0.000 0.456 12 L N 0.266 121.408 121.223 -0.136 0.000 2.093 12 L HA -0.022 4.320 4.340 0.003 0.000 0.208 12 L C 1.792 178.654 176.870 -0.013 0.000 1.085 12 L CA 1.328 56.100 54.840 -0.113 0.000 0.755 12 L CB -0.332 41.654 42.059 -0.122 0.000 0.904 12 L HN 0.166 nan 8.230 nan 0.000 0.435 13 L N -1.281 119.879 121.223 -0.106 0.000 2.191 13 L HA -0.199 4.142 4.340 0.003 0.000 0.212 13 L C 1.315 178.020 176.870 -0.275 0.000 1.103 13 L CA 1.006 55.729 54.840 -0.194 0.000 0.769 13 L CB -0.474 41.386 42.059 -0.333 0.000 0.908 13 L HN 0.405 nan 8.230 nan 0.000 0.438 14 H N -2.926 116.175 119.070 0.051 0.000 2.505 14 H HA 0.088 4.646 4.556 0.003 0.000 0.289 14 H C -0.425 174.995 175.328 0.153 0.000 1.052 14 H CA -0.510 55.589 56.048 0.086 0.000 1.156 14 H CB 0.068 29.854 29.762 0.039 0.000 1.507 14 H HN 0.044 nan 8.280 nan 0.000 0.548 15 Y N 2.031 122.374 120.300 0.073 0.000 2.465 15 Y HA 0.026 4.578 4.550 0.003 0.000 0.331 15 Y C 0.416 176.398 175.900 0.136 0.000 1.102 15 Y CA -0.497 57.625 58.100 0.036 0.000 1.358 15 Y CB -0.263 38.246 38.460 0.082 0.000 1.213 15 Y HN 0.432 nan 8.280 nan 0.000 0.525 16 H N 3.793 122.869 119.070 0.010 0.000 2.692 16 H HA -0.212 4.346 4.556 0.003 0.000 0.316 16 H C 0.018 175.429 175.328 0.139 0.000 1.176 16 H CA 0.984 57.021 56.048 -0.019 0.000 1.142 16 H CB -1.018 28.623 29.762 -0.202 0.000 1.475 16 H HN 0.759 nan 8.280 nan 0.000 0.423 17 E N 1.178 121.499 120.200 0.202 0.000 2.404 17 E HA 0.270 4.622 4.350 0.003 0.000 0.261 17 E C 1.163 177.869 176.600 0.176 0.000 1.074 17 E CA -0.017 56.498 56.400 0.192 0.000 0.917 17 E CB 1.044 30.848 29.700 0.174 0.000 0.965 17 E HN 0.525 nan 8.360 nan 0.000 0.433 18 R N 0.308 120.905 120.500 0.161 0.000 2.781 18 R HA 0.660 5.002 4.340 0.003 0.000 0.269 18 R C 0.202 176.567 176.300 0.108 0.000 1.025 18 R CA -0.457 55.722 56.100 0.132 0.000 0.914 18 R CB 0.779 31.163 30.300 0.141 0.000 1.236 18 R HN 0.693 nan 8.270 nan 0.000 0.465 19 G N 1.114 109.974 108.800 0.100 0.000 2.569 19 G HA2 -0.386 3.576 3.960 0.003 0.000 0.259 19 G HA3 -0.386 3.576 3.960 0.003 0.000 0.259 19 G C -0.406 174.534 174.900 0.066 0.000 1.263 19 G CA 0.401 45.549 45.100 0.080 0.000 0.928 19 G HN 0.957 nan 8.290 nan 0.000 0.572 20 N N -0.138 118.588 118.700 0.043 0.000 2.701 20 N HA 0.030 4.772 4.740 0.003 0.000 0.250 20 N C 1.677 177.211 175.510 0.040 0.000 1.046 20 N CA 2.919 55.992 53.050 0.039 0.000 0.733 20 N CB -1.216 37.301 38.487 0.049 0.000 0.973 20 N HN 2.535 nan 8.380 nan 0.000 0.541 21 G N -1.860 106.964 108.800 0.040 0.000 2.143 21 G HA2 -0.330 3.632 3.960 0.003 0.000 0.248 21 G HA3 -0.330 3.632 3.960 0.003 0.000 0.248 21 G C 0.267 175.194 174.900 0.045 0.000 0.991 21 G CA 0.277 45.400 45.100 0.039 0.000 0.689 21 G HN 0.550 nan 8.290 nan 0.000 0.522 22 I N 0.025 120.629 120.570 0.055 0.000 2.662 22 I HA 0.431 4.603 4.170 0.003 0.000 0.291 22 I C 0.579 176.726 176.117 0.050 0.000 1.046 22 I CA -0.179 61.154 61.300 0.054 0.000 1.361 22 I CB 1.517 39.557 38.000 0.066 0.000 1.429 22 I HN 0.258 nan 8.210 nan 0.000 0.558 23 Q N 5.801 125.623 119.800 0.037 0.000 2.304 23 Q HA 0.655 4.997 4.340 0.003 0.000 0.270 23 Q C -1.642 174.372 176.000 0.023 0.000 1.035 23 Q CA -0.425 55.393 55.803 0.026 0.000 0.781 23 Q CB 1.765 30.514 28.738 0.017 0.000 1.261 23 Q HN 0.537 nan 8.270 nan 0.000 0.444 24 I N 3.546 124.128 120.570 0.020 0.000 2.582 24 I HA 0.385 4.557 4.170 0.003 0.000 0.292 24 I C -0.248 175.887 176.117 0.030 0.000 1.066 24 I CA -0.899 60.419 61.300 0.030 0.000 1.053 24 I CB 2.001 40.029 38.000 0.046 0.000 1.241 24 I HN 0.804 nan 8.210 nan 0.000 0.421 25 N N 4.191 122.915 118.700 0.039 0.000 2.714 25 N HA -0.198 4.544 4.740 0.003 0.000 0.250 25 N C 0.929 176.440 175.510 0.001 0.000 1.117 25 N CA 1.255 54.336 53.050 0.052 0.000 0.719 25 N CB -0.909 37.673 38.487 0.159 0.000 1.081 25 N HN 1.217 nan 8.380 nan 0.000 0.557 26 G N -1.298 107.497 108.800 -0.008 0.000 2.155 26 G HA2 -0.363 3.599 3.960 0.003 0.000 0.257 26 G HA3 -0.363 3.599 3.960 0.003 0.000 0.257 26 G C 0.142 175.015 174.900 -0.046 0.000 0.983 26 G CA 1.277 46.363 45.100 -0.025 0.000 0.676 26 G HN 0.506 nan 8.290 nan 0.000 0.528 27 K N 0.398 120.765 120.400 -0.054 0.000 2.281 27 K HA 0.562 4.884 4.320 0.003 0.000 0.242 27 K C -0.269 176.299 176.600 -0.052 0.000 0.971 27 K CA -0.836 55.398 56.287 -0.088 0.000 0.834 27 K CB 1.004 33.406 32.500 -0.164 0.000 1.181 27 K HN 0.058 nan 8.250 nan 0.000 0.435 28 D N 0.229 120.596 120.400 -0.054 0.000 2.372 28 D HA 0.035 4.677 4.640 0.003 0.000 0.243 28 D C -0.428 175.871 176.300 -0.001 0.000 1.121 28 D CA 0.233 54.239 54.000 0.010 0.000 0.898 28 D CB 1.392 42.243 40.800 0.085 0.000 1.202 28 D HN 0.264 nan 8.370 nan 0.000 0.428 29 S N 1.448 117.201 115.700 0.088 0.000 2.442 29 S HA 0.443 4.915 4.470 0.003 0.000 0.297 29 S C -0.944 173.828 174.600 0.286 0.000 1.131 29 S CA -0.684 57.581 58.200 0.109 0.000 1.092 29 S CB 0.139 63.389 63.200 0.083 0.000 0.998 29 S HN 0.147 nan 8.310 nan 0.000 0.478 30 F N 2.906 122.821 119.950 -0.059 0.000 2.425 30 F HA 0.477 5.007 4.527 0.005 0.000 0.331 30 F C 1.179 176.910 175.800 -0.115 0.000 1.085 30 F CA -1.493 56.396 58.000 -0.185 0.000 1.028 30 F CB 1.647 40.332 39.000 -0.524 0.000 1.177 30 F HN 0.709 nan 8.300 nan 0.000 0.487 31 S N 1.473 117.213 115.700 0.067 0.000 2.634 31 S HA 0.083 4.555 4.470 0.003 0.000 0.261 31 S C 1.270 175.906 174.600 0.060 0.000 1.271 31 S CA -0.315 57.919 58.200 0.057 0.000 0.985 31 S CB 0.455 63.662 63.200 0.012 0.000 0.968 31 S HN 0.768 nan 8.310 nan 0.000 0.568 32 N N 0.631 119.390 118.700 0.098 0.000 2.094 32 N HA -0.225 4.517 4.740 0.003 0.000 0.191 32 N C 1.235 176.778 175.510 0.055 0.000 1.023 32 N CA 1.769 54.892 53.050 0.122 0.000 0.857 32 N CB -0.205 38.366 38.487 0.141 0.000 1.013 32 N HN 0.688 nan 8.380 nan 0.000 0.426 33 E N 0.819 121.022 120.200 0.006 0.000 2.047 33 E HA -0.152 4.199 4.350 0.003 0.000 0.191 33 E C 2.207 178.733 176.600 -0.124 0.000 0.987 33 E CA 1.253 57.620 56.400 -0.055 0.000 0.799 33 E CB -0.311 29.352 29.700 -0.062 0.000 0.752 33 E HN 0.494 nan 8.360 nan 0.000 0.449 34 Q N 0.082 119.782 119.800 -0.166 0.000 2.084 34 Q HA -0.094 4.248 4.340 0.003 0.000 0.202 34 Q C 2.243 178.124 176.000 -0.198 0.000 0.978 34 Q CA 1.417 57.034 55.803 -0.309 0.000 0.844 34 Q CB -0.274 28.117 28.738 -0.578 0.000 0.898 34 Q HN 0.301 nan 8.270 nan 0.000 0.426 35 A N 1.146 123.917 122.820 -0.081 0.000 1.902 35 A HA -0.136 4.186 4.320 0.003 0.000 0.217 35 A C 2.332 179.970 177.584 0.091 0.000 1.181 35 A CA 1.688 53.717 52.037 -0.015 0.000 0.623 35 A CB -1.303 17.750 19.000 0.088 0.000 0.818 35 A HN 0.487 nan 8.150 nan 0.000 0.443 36 G N -0.260 108.560 108.800 0.034 0.000 2.442 36 G HA2 -0.170 3.792 3.960 0.003 0.000 0.219 36 G HA3 -0.170 3.792 3.960 0.003 0.000 0.219 36 G C 1.545 176.387 174.900 -0.096 0.000 1.141 36 G CA 1.079 46.182 45.100 0.006 0.000 0.763 36 G HN 0.444 nan 8.290 nan 0.000 0.554 37 L N -1.174 119.932 121.223 -0.194 0.000 2.109 37 L HA 0.099 4.441 4.340 0.003 0.000 0.207 37 L C 2.537 179.344 176.870 -0.104 0.000 1.086 37 L CA 0.616 55.275 54.840 -0.302 0.000 0.760 37 L CB -0.358 41.499 42.059 -0.336 0.000 0.910 37 L HN 0.185 nan 8.230 nan 0.000 0.437 38 F N 0.687 120.570 119.950 -0.112 0.000 2.186 38 F HA -0.130 4.399 4.527 0.003 0.000 0.299 38 F C 2.264 178.102 175.800 0.063 0.000 1.090 38 F CA 1.232 59.237 58.000 0.009 0.000 1.307 38 F CB -0.071 39.000 39.000 0.118 0.000 1.019 38 F HN -0.111 nan 8.300 nan 0.000 0.489 39 I N -0.303 120.356 120.570 0.149 0.000 2.454 39 I HA -0.234 3.938 4.170 0.003 0.000 0.254 39 I C 1.521 177.630 176.117 -0.014 0.000 1.156 39 I CA 1.667 63.030 61.300 0.104 0.000 1.433 39 I CB -0.583 37.520 38.000 0.172 0.000 1.082 39 I HN 0.213 nan 8.210 nan 0.000 0.432 40 T N -2.069 112.457 114.554 -0.046 0.000 3.243 40 T HA 0.137 4.489 4.350 0.003 0.000 0.264 40 T C 1.486 176.139 174.700 -0.077 0.000 1.000 40 T CA -0.620 61.454 62.100 -0.043 0.000 0.901 40 T CB -0.330 68.541 68.868 0.005 0.000 1.083 40 T HN 0.412 nan 8.240 nan 0.000 0.559 41 R N 0.984 121.380 120.500 -0.173 0.000 2.303 41 R HA -0.017 4.325 4.340 0.003 0.000 0.225 41 R C 1.164 177.411 176.300 -0.088 0.000 1.114 41 R CA 0.906 56.886 56.100 -0.199 0.000 1.007 41 R CB -0.389 29.641 30.300 -0.451 0.000 0.861 41 R HN 0.258 nan 8.270 nan 0.000 0.471 42 E N 1.127 121.298 120.200 -0.048 0.000 2.371 42 E HA -0.046 4.306 4.350 0.003 0.000 0.194 42 E C 0.037 176.704 176.600 0.111 0.000 1.012 42 E CA 0.142 56.554 56.400 0.020 0.000 0.860 42 E CB -0.119 29.577 29.700 -0.007 0.000 0.811 42 E HN 0.389 nan 8.360 nan 0.000 0.502 43 N N 1.227 119.984 118.700 0.095 0.000 2.741 43 N HA -0.159 4.583 4.740 0.003 0.000 0.251 43 N C -0.541 174.972 175.510 0.005 0.000 1.112 43 N CA 0.790 53.895 53.050 0.093 0.000 0.750 43 N CB -0.948 37.437 38.487 -0.170 0.000 1.119 43 N HN 0.242 nan 8.380 nan 0.000 0.561 44 Q N 0.503 120.346 119.800 0.071 0.000 2.257 44 Q HA 0.520 4.862 4.340 0.003 0.000 0.255 44 Q C 0.888 176.863 176.000 -0.041 0.000 0.920 44 Q CA -0.007 55.812 55.803 0.027 0.000 0.927 44 Q CB 1.932 30.666 28.738 -0.005 0.000 1.229 44 Q HN 0.434 nan 8.270 nan 0.000 0.433 45 T N -2.766 111.742 114.554 -0.077 0.000 2.883 45 T HA 0.389 4.741 4.350 0.003 0.000 0.296 45 T C 0.014 174.717 174.700 0.005 0.000 1.117 45 T CA -0.752 61.343 62.100 -0.009 0.000 1.006 45 T CB 0.522 69.345 68.868 -0.075 0.000 1.191 45 T HN 0.637 nan 8.240 nan 0.000 0.508 46 W N 0.704 122.141 121.300 0.227 0.000 2.611 46 W HA 0.152 4.813 4.660 0.003 0.000 0.251 46 W C 1.790 178.365 176.519 0.092 0.000 1.265 46 W CA 0.075 57.496 57.345 0.126 0.000 1.295 46 W CB -0.094 29.405 29.460 0.064 0.000 1.129 46 W HN 0.615 nan 8.180 nan 0.000 0.630 47 N N -0.569 118.301 118.700 0.283 0.000 2.373 47 N HA 0.201 4.943 4.740 0.003 0.000 0.181 47 N C 0.645 176.177 175.510 0.037 0.000 1.082 47 N CA 1.280 54.419 53.050 0.148 0.000 0.885 47 N CB 0.609 39.173 38.487 0.129 0.000 0.977 47 N HN 0.058 nan 8.380 nan 0.000 0.462 48 G N 0.056 108.855 108.800 -0.002 0.000 2.334 48 G HA2 -0.107 3.855 3.960 0.003 0.000 0.566 48 G HA3 -0.107 3.855 3.960 0.003 0.000 0.566 48 G C -1.575 173.274 174.900 -0.084 0.000 1.413 48 G CA -1.038 44.041 45.100 -0.035 0.000 0.993 48 G HN 0.080 nan 8.290 nan 0.000 0.642 49 Y N 1.986 122.184 120.300 -0.171 0.000 2.632 49 Y HA 0.351 4.902 4.550 0.002 0.000 0.329 49 Y C 1.683 177.399 175.900 -0.306 0.000 1.174 49 Y CA 1.507 59.490 58.100 -0.195 0.000 1.469 49 Y CB 0.334 38.713 38.460 -0.135 0.000 1.242 49 Y HN 0.854 nan 8.280 nan 0.000 0.540 50 K N 2.272 122.068 120.400 -1.006 0.000 3.209 50 K HA -0.159 4.163 4.320 0.003 0.000 0.289 50 K C -0.899 174.901 176.600 -1.334 0.000 1.191 50 K CA 0.766 56.252 56.287 -1.336 0.000 0.851 50 K CB -1.766 30.162 32.500 -0.953 0.000 1.242 50 K HN 0.354 nan 8.250 nan 0.000 0.480 51 V N 2.497 121.831 119.914 -0.967 0.000 2.334 51 V HA 0.339 4.461 4.120 0.003 0.000 0.267 51 V C -0.011 175.711 176.094 -0.619 0.000 1.040 51 V CA -0.184 61.755 62.300 -0.600 0.000 0.866 51 V CB 0.006 31.665 31.823 -0.274 0.000 1.019 51 V HN 0.045 nan 8.190 nan 0.000 0.468 52 F N 1.626 121.435 119.950 -0.235 0.000 2.523 52 F HA 0.757 5.285 4.527 0.002 0.000 0.329 52 F C 1.285 176.942 175.800 -0.239 0.000 1.061 52 F CA -0.670 57.119 58.000 -0.352 0.000 0.967 52 F CB 1.472 40.179 39.000 -0.487 0.000 1.218 52 F HN 0.591 nan 8.300 nan 0.000 0.480 53 G N 0.721 109.494 108.800 -0.045 0.000 2.168 53 G HA2 -0.203 3.759 3.960 0.003 0.000 0.263 53 G HA3 -0.203 3.759 3.960 0.003 0.000 0.263 53 G C -0.046 174.871 174.900 0.028 0.000 0.977 53 G CA -0.260 44.831 45.100 -0.015 0.000 0.659 53 G HN 0.469 nan 8.290 nan 0.000 0.533 54 Q N 0.181 120.009 119.800 0.046 0.000 2.235 54 Q HA 0.507 4.849 4.340 0.003 0.000 0.256 54 Q C -2.372 173.729 176.000 0.168 0.000 0.951 54 Q CA -2.004 53.849 55.803 0.084 0.000 0.890 54 Q CB 1.574 30.349 28.738 0.061 0.000 1.279 54 Q HN 0.198 nan 8.270 nan 0.000 0.444 55 P HA 0.197 nan 4.420 nan 0.000 0.273 55 P C -0.848 176.477 177.300 0.041 0.000 1.250 55 P CA -0.315 62.828 63.100 0.072 0.000 0.793 55 P CB 0.675 32.389 31.700 0.024 0.000 1.011 56 V N 0.511 120.363 119.914 -0.104 0.000 2.969 56 V HA 0.371 4.493 4.120 0.003 0.000 0.304 56 V C -1.504 174.418 176.094 -0.287 0.000 1.192 56 V CA -0.740 61.444 62.300 -0.192 0.000 0.962 56 V CB 2.168 33.792 31.823 -0.331 0.000 1.045 56 V HN 0.363 nan 8.190 nan 0.000 0.428 57 K N 6.066 126.327 120.400 -0.232 0.000 2.323 57 K HA 0.763 5.085 4.320 0.003 0.000 0.259 57 K C -1.500 174.935 176.600 -0.276 0.000 0.947 57 K CA -0.491 55.656 56.287 -0.234 0.000 0.819 57 K CB 2.002 34.423 32.500 -0.131 0.000 1.109 57 K HN 0.522 nan 8.250 nan 0.000 0.429 58 L N 1.575 122.611 121.223 -0.312 0.000 2.388 58 L HA 0.493 4.835 4.340 0.003 0.000 0.264 58 L C 0.081 176.923 176.870 -0.047 0.000 0.998 58 L CA -0.939 53.725 54.840 -0.294 0.000 0.817 58 L CB 2.384 44.172 42.059 -0.452 0.000 1.338 58 L HN 0.699 nan 8.230 nan 0.000 0.414 59 T N -1.130 113.375 114.554 -0.081 0.000 2.945 59 T HA 0.806 5.158 4.350 0.003 0.000 0.286 59 T C -0.652 174.074 174.700 0.044 0.000 1.025 59 T CA -0.563 61.521 62.100 -0.027 0.000 1.039 59 T CB 1.709 70.509 68.868 -0.113 0.000 1.068 59 T HN 0.408 nan 8.240 nan 0.000 0.497 60 F N -0.871 119.014 119.950 -0.110 0.000 2.645 60 F HA 0.863 5.392 4.527 0.003 0.000 0.310 60 F C -0.680 174.975 175.800 -0.242 0.000 1.102 60 F CA -0.929 56.957 58.000 -0.190 0.000 0.952 60 F CB 1.476 40.371 39.000 -0.174 0.000 1.326 60 F HN 0.992 nan 8.300 nan 0.000 0.456 61 S N 0.230 115.762 115.700 -0.281 0.000 2.643 61 S HA 0.742 5.214 4.470 0.003 0.000 0.270 61 S C -1.860 172.425 174.600 -0.526 0.000 1.166 61 S CA -0.876 57.078 58.200 -0.410 0.000 0.815 61 S CB 1.530 64.587 63.200 -0.238 0.000 1.139 61 S HN 0.632 nan 8.310 nan 0.000 0.472 62 F N 1.347 121.300 119.950 0.005 0.000 2.363 62 F HA 0.504 5.033 4.527 0.004 0.000 0.366 62 F C -2.622 173.122 175.800 -0.094 0.000 1.083 62 F CA -1.869 56.119 58.000 -0.020 0.000 1.176 62 F CB 0.954 39.964 39.000 0.017 0.000 1.432 62 F HN 0.281 nan 8.300 nan 0.000 0.482 63 P HA -0.041 nan 4.420 nan 0.000 0.268 63 P C -0.314 176.766 177.300 -0.368 0.000 1.208 63 P CA -0.073 62.800 63.100 -0.380 0.000 0.777 63 P CB 0.756 31.971 31.700 -0.810 0.000 0.875 64 D N 1.968 122.215 120.400 -0.254 0.000 2.500 64 D HA 0.126 4.768 4.640 0.003 0.000 0.219 64 D C -0.611 175.649 176.300 -0.066 0.000 1.137 64 D CA -0.273 53.684 54.000 -0.071 0.000 0.946 64 D CB -0.475 40.325 40.800 0.000 0.000 1.022 64 D HN 0.164 nan 8.370 nan 0.000 0.518 65 Y N 1.734 122.145 120.300 0.185 0.000 2.336 65 Y HA 0.209 4.761 4.550 0.003 0.000 0.331 65 Y C 0.992 177.009 175.900 0.195 0.000 1.211 65 Y CA -0.209 58.016 58.100 0.208 0.000 1.346 65 Y CB 0.649 39.285 38.460 0.292 0.000 1.271 65 Y HN 0.004 nan 8.280 nan 0.000 0.538 66 K N 2.172 122.779 120.400 0.344 0.000 2.172 66 K HA 0.156 4.477 4.320 0.003 0.000 0.276 66 K C 0.347 177.110 176.600 0.272 0.000 1.013 66 K CA -0.378 56.069 56.287 0.268 0.000 0.913 66 K CB 0.267 32.885 32.500 0.197 0.000 1.055 66 K HN 0.580 nan 8.250 nan 0.000 0.461 67 F N 1.911 121.953 119.950 0.154 0.000 2.091 67 F HA -0.300 4.229 4.527 0.003 0.000 0.299 67 F C 1.707 177.560 175.800 0.087 0.000 1.103 67 F CA 2.296 60.372 58.000 0.127 0.000 1.228 67 F CB -0.033 39.033 39.000 0.110 0.000 0.984 67 F HN 0.605 nan 8.300 nan 0.000 0.477 68 S N -1.123 114.707 115.700 0.217 0.000 2.607 68 S HA 0.047 4.519 4.470 0.003 0.000 0.224 68 S C 0.924 175.542 174.600 0.031 0.000 0.969 68 S CA 0.170 58.436 58.200 0.110 0.000 0.927 68 S CB -0.745 62.548 63.200 0.154 0.000 0.772 68 S HN 0.175 nan 8.310 nan 0.000 0.533 69 S N 2.010 117.733 115.700 0.038 0.000 2.603 69 S HA 0.426 4.898 4.470 0.003 0.000 0.268 69 S C 0.135 174.700 174.600 -0.059 0.000 1.317 69 S CA -0.365 57.851 58.200 0.027 0.000 1.012 69 S CB 0.953 64.215 63.200 0.104 0.000 0.926 69 S HN 0.403 nan 8.310 nan 0.000 0.539 70 T N 3.207 117.720 114.554 -0.068 0.000 2.807 70 T HA 0.416 4.768 4.350 0.003 0.000 0.279 70 T C 0.123 174.722 174.700 -0.167 0.000 0.993 70 T CA -0.979 61.038 62.100 -0.138 0.000 0.970 70 T CB 0.904 69.710 68.868 -0.103 0.000 0.950 70 T HN 0.734 nan 8.240 nan 0.000 0.441 71 N N 1.324 119.831 118.700 -0.322 0.000 2.405 71 N HA 0.165 4.907 4.740 0.003 0.000 0.269 71 N C 1.673 177.036 175.510 -0.244 0.000 1.249 71 N CA -0.678 52.148 53.050 -0.373 0.000 0.974 71 N CB -0.156 37.764 38.487 -0.945 0.000 1.204 71 N HN 0.326 nan 8.380 nan 0.000 0.565 72 V N -3.877 115.936 119.914 -0.169 0.000 2.546 72 V HA -0.106 4.016 4.120 0.003 0.000 0.254 72 V C 1.855 177.842 176.094 -0.179 0.000 1.076 72 V CA 1.993 64.222 62.300 -0.119 0.000 1.087 72 V CB -1.697 30.030 31.823 -0.159 0.000 0.674 72 V HN 0.763 nan 8.190 nan 0.000 0.470 73 A N -0.215 122.462 122.820 -0.238 0.000 2.208 73 A HA 0.476 4.798 4.320 0.003 0.000 0.209 73 A C 2.137 179.544 177.584 -0.296 0.000 1.161 73 A CA 1.151 53.009 52.037 -0.299 0.000 0.782 73 A CB -0.487 18.232 19.000 -0.469 0.000 0.816 73 A HN 1.722 nan 8.150 nan 0.000 0.477 74 G N -0.828 107.816 108.800 -0.261 0.000 2.176 74 G HA2 -0.172 3.790 3.960 0.003 0.000 0.232 74 G HA3 -0.172 3.790 3.960 0.003 0.000 0.232 74 G C -0.288 174.465 174.900 -0.245 0.000 0.986 74 G CA 0.124 45.097 45.100 -0.212 0.000 0.643 74 G HN 0.463 nan 8.290 nan 0.000 0.522 75 D N 0.460 120.649 120.400 -0.351 0.000 2.313 75 D HA 0.620 5.262 4.640 0.003 0.000 0.247 75 D C 0.554 176.666 176.300 -0.314 0.000 1.094 75 D CA 0.998 54.784 54.000 -0.357 0.000 0.925 75 D CB 1.849 42.286 40.800 -0.605 0.000 1.188 75 D HN 0.195 nan 8.370 nan 0.000 0.430 76 T N -1.801 112.609 114.554 -0.240 0.000 2.626 76 T HA 0.523 4.875 4.350 0.003 0.000 0.279 76 T C -0.077 174.399 174.700 -0.373 0.000 0.983 76 T CA 0.211 62.149 62.100 -0.270 0.000 1.059 76 T CB 0.932 69.665 68.868 -0.225 0.000 1.396 76 T HN 0.539 nan 8.240 nan 0.000 0.519 77 G N 1.389 109.771 108.800 -0.697 0.000 2.314 77 G HA2 -0.151 3.810 3.960 0.003 0.000 0.292 77 G HA3 -0.151 3.810 3.960 0.003 0.000 0.292 77 G C -0.088 174.332 174.900 -0.801 0.000 1.059 77 G CA 0.567 44.751 45.100 -1.526 0.000 0.982 77 G HN 0.692 nan 8.290 nan 0.000 0.505 78 L N 0.134 121.106 121.223 -0.418 0.000 2.418 78 L HA 0.718 5.060 4.340 0.003 0.000 0.265 78 L C 0.918 177.948 176.870 0.267 0.000 1.143 78 L CA 0.114 54.971 54.840 0.029 0.000 0.809 78 L CB 1.451 43.560 42.059 0.083 0.000 1.124 78 L HN 0.645 nan 8.230 nan 0.000 0.456 79 S N 0.200 116.136 115.700 0.393 0.000 2.565 79 S HA 0.367 4.839 4.470 0.003 0.000 0.269 79 S C -1.029 173.881 174.600 0.515 0.000 1.153 79 S CA -1.141 57.321 58.200 0.436 0.000 0.835 79 S CB 2.012 65.436 63.200 0.373 0.000 1.122 79 S HN 0.593 nan 8.310 nan 0.000 0.462 80 K N 0.382 121.038 120.400 0.428 0.000 2.202 80 K HA 0.345 4.667 4.320 0.003 0.000 0.264 80 K C -0.941 175.918 176.600 0.432 0.000 1.010 80 K CA -0.520 56.010 56.287 0.405 0.000 0.940 80 K CB 0.199 32.847 32.500 0.247 0.000 0.983 80 K HN 0.520 nan 8.250 nan 0.000 0.475 81 F N 2.004 122.058 119.950 0.172 0.000 2.572 81 F HA -0.039 4.490 4.527 0.003 0.000 0.370 81 F C 1.158 176.911 175.800 -0.078 0.000 1.103 81 F CA -0.036 57.979 58.000 0.025 0.000 1.286 81 F CB 0.540 39.505 39.000 -0.058 0.000 1.105 81 F HN 0.578 nan 8.300 nan 0.000 0.583 82 S N 2.702 118.361 115.700 -0.069 0.000 2.617 82 S HA 0.475 4.947 4.470 0.003 0.000 0.259 82 S C 1.173 175.681 174.600 -0.153 0.000 1.301 82 S CA -0.345 57.799 58.200 -0.093 0.000 0.984 82 S CB 0.913 64.042 63.200 -0.119 0.000 0.954 82 S HN 0.752 nan 8.310 nan 0.000 0.572 83 A N 0.287 123.038 122.820 -0.116 0.000 1.877 83 A HA -0.116 4.206 4.320 0.003 0.000 0.216 83 A C 2.183 179.684 177.584 -0.138 0.000 1.186 83 A CA 1.791 53.751 52.037 -0.128 0.000 0.620 83 A CB -1.340 17.616 19.000 -0.074 0.000 0.822 83 A HN 1.015 nan 8.150 nan 0.000 0.443 84 E N -0.393 119.740 120.200 -0.111 0.000 2.077 84 E HA -0.258 4.094 4.350 0.003 0.000 0.193 84 E C 2.139 178.660 176.600 -0.131 0.000 0.989 84 E CA 1.391 57.735 56.400 -0.093 0.000 0.800 84 E CB -0.177 29.492 29.700 -0.052 0.000 0.746 84 E HN 0.768 nan 8.360 nan 0.000 0.452 85 Q N -0.057 119.606 119.800 -0.227 0.000 2.079 85 Q HA -0.179 4.163 4.340 0.003 0.000 0.200 85 Q C 2.333 178.202 176.000 -0.219 0.000 0.974 85 Q CA 1.478 57.094 55.803 -0.312 0.000 0.840 85 Q CB -0.009 28.195 28.738 -0.890 0.000 0.898 85 Q HN 0.405 nan 8.270 nan 0.000 0.430 86 Q N 0.408 120.007 119.800 -0.334 0.000 2.084 86 Q HA -0.227 4.115 4.340 0.003 0.000 0.202 86 Q C 2.184 178.024 176.000 -0.267 0.000 0.978 86 Q CA 1.342 56.783 55.803 -0.605 0.000 0.844 86 Q CB -0.144 28.041 28.738 -0.922 0.000 0.898 86 Q HN 0.387 nan 8.270 nan 0.000 0.426 87 Q N 0.444 120.148 119.800 -0.159 0.000 2.061 87 Q HA -0.235 4.106 4.340 0.003 0.000 0.204 87 Q C 1.996 177.989 176.000 -0.012 0.000 0.984 87 Q CA 1.255 57.021 55.803 -0.063 0.000 0.846 87 Q CB 0.107 28.814 28.738 -0.051 0.000 0.902 87 Q HN 0.362 nan 8.270 nan 0.000 0.421 88 Q N -0.231 119.579 119.800 0.017 0.000 2.167 88 Q HA -0.063 4.279 4.340 0.003 0.000 0.202 88 Q C 2.000 178.106 176.000 0.177 0.000 0.970 88 Q CA 1.276 57.132 55.803 0.088 0.000 0.855 88 Q CB -0.286 28.485 28.738 0.055 0.000 0.911 88 Q HN 0.504 nan 8.270 nan 0.000 0.438 89 A N 1.453 124.345 122.820 0.120 0.000 1.933 89 A HA -0.181 4.141 4.320 0.003 0.000 0.218 89 A C 2.076 179.562 177.584 -0.164 0.000 1.175 89 A CA 1.425 53.387 52.037 -0.125 0.000 0.628 89 A CB -0.282 18.302 19.000 -0.694 0.000 0.814 89 A HN 0.237 nan 8.150 nan 0.000 0.444 90 K N -0.366 119.978 120.400 -0.092 0.000 2.147 90 K HA 0.006 4.328 4.320 0.003 0.000 0.205 90 K C 1.765 178.348 176.600 -0.027 0.000 1.049 90 K CA 1.149 57.384 56.287 -0.087 0.000 0.936 90 K CB -0.314 32.213 32.500 0.045 0.000 0.722 90 K HN 0.473 nan 8.250 nan 0.000 0.446 91 L N 0.365 121.606 121.223 0.031 0.000 2.093 91 L HA -0.151 4.191 4.340 0.003 0.000 0.208 91 L C 2.321 179.243 176.870 0.086 0.000 1.085 91 L CA 0.941 55.832 54.840 0.084 0.000 0.755 91 L CB -0.337 41.783 42.059 0.102 0.000 0.904 91 L HN 0.100 nan 8.230 nan 0.000 0.435 92 S N 0.160 115.901 115.700 0.068 0.000 2.368 92 S HA -0.103 4.369 4.470 0.003 0.000 0.224 92 S C 1.994 176.655 174.600 0.102 0.000 1.029 92 S CA 1.072 59.315 58.200 0.072 0.000 0.988 92 S CB -0.222 63.096 63.200 0.197 0.000 0.838 92 S HN 0.249 nan 8.310 nan 0.000 0.462 93 L N 1.380 122.597 121.223 -0.009 0.000 1.989 93 L HA -0.206 4.136 4.340 0.003 0.000 0.211 93 L C 2.842 179.794 176.870 0.136 0.000 1.071 93 L CA 1.637 56.368 54.840 -0.182 0.000 0.749 93 L CB -0.569 41.023 42.059 -0.778 0.000 0.890 93 L HN 0.377 nan 8.230 nan 0.000 0.431 94 Q N 0.013 119.883 119.800 0.117 0.000 2.096 94 Q HA -0.255 4.087 4.340 0.003 0.000 0.204 94 Q C 2.289 178.426 176.000 0.229 0.000 0.982 94 Q CA 2.300 58.229 55.803 0.210 0.000 0.850 94 Q CB -0.068 28.768 28.738 0.164 0.000 0.901 94 Q HN 0.602 nan 8.270 nan 0.000 0.422 95 S N -1.225 114.565 115.700 0.150 0.000 2.419 95 S HA -0.162 4.310 4.470 0.003 0.000 0.233 95 S C 1.395 175.985 174.600 -0.018 0.000 1.016 95 S CA 0.937 59.160 58.200 0.038 0.000 0.974 95 S CB -0.711 62.307 63.200 -0.303 0.000 0.786 95 S HN 0.607 nan 8.310 nan 0.000 0.492 96 W N 1.554 122.939 121.300 0.142 0.000 2.453 96 W HA 0.374 5.036 4.660 0.003 0.000 0.289 96 W C 2.936 179.556 176.519 0.169 0.000 1.215 96 W CA 0.230 57.671 57.345 0.160 0.000 1.297 96 W CB -0.353 29.242 29.460 0.225 0.000 1.113 96 W HN 0.380 nan 8.180 nan 0.000 0.551 97 A N 0.076 123.171 122.820 0.459 0.000 2.015 97 A HA -0.188 4.133 4.320 0.003 0.000 0.219 97 A C 1.515 179.219 177.584 0.200 0.000 1.163 97 A CA 1.962 54.160 52.037 0.268 0.000 0.646 97 A CB -0.649 18.526 19.000 0.291 0.000 0.806 97 A HN 0.122 nan 8.150 nan 0.000 0.448 98 D N -0.463 120.073 120.400 0.227 0.000 2.144 98 D HA -0.113 4.529 4.640 0.003 0.000 0.199 98 D C 2.120 178.557 176.300 0.228 0.000 0.984 98 D CA 1.843 55.989 54.000 0.244 0.000 0.834 98 D CB -0.081 40.889 40.800 0.284 0.000 0.955 98 D HN 0.474 nan 8.370 nan 0.000 0.465 99 V N -2.654 117.318 119.914 0.096 0.000 3.125 99 V HA 0.496 4.618 4.120 0.003 0.000 0.249 99 V C 0.762 176.679 176.094 -0.295 0.000 1.113 99 V CA 0.603 62.765 62.300 -0.230 0.000 1.106 99 V CB -0.055 31.657 31.823 -0.185 0.000 0.768 99 V HN 0.082 nan 8.190 nan 0.000 0.468 100 A N 0.413 123.215 122.820 -0.030 0.000 2.435 100 A HA 0.651 4.972 4.320 0.003 0.000 0.296 100 A C -0.470 177.133 177.584 0.032 0.000 1.147 100 A CA -0.808 51.233 52.037 0.007 0.000 0.775 100 A CB 0.594 19.674 19.000 0.132 0.000 1.340 100 A HN 0.403 nan 8.150 nan 0.000 0.427 101 N N 0.359 119.086 118.700 0.045 0.000 2.971 101 N HA 0.368 5.110 4.740 0.003 0.000 0.294 101 N C -1.174 174.283 175.510 -0.088 0.000 1.210 101 N CA 0.375 53.432 53.050 0.012 0.000 1.157 101 N CB -0.307 38.205 38.487 0.042 0.000 1.450 101 N HN 0.474 nan 8.380 nan 0.000 0.527 102 I N 0.376 120.838 120.570 -0.180 0.000 2.466 102 I HA 0.258 4.429 4.170 0.003 0.000 0.289 102 I C -0.248 175.599 176.117 -0.451 0.000 1.026 102 I CA -0.698 60.336 61.300 -0.443 0.000 1.078 102 I CB 2.135 39.756 38.000 -0.632 0.000 1.249 102 I HN 0.065 nan 8.210 nan 0.000 0.429 103 T N 5.767 120.037 114.554 -0.473 0.000 2.779 103 T HA 0.568 4.920 4.350 0.003 0.000 0.280 103 T C -0.705 173.772 174.700 -0.372 0.000 0.987 103 T CA -0.300 61.623 62.100 -0.295 0.000 0.966 103 T CB 0.545 69.325 68.868 -0.148 0.000 0.933 103 T HN 0.091 nan 8.240 nan 0.000 0.442 104 F N 1.842 121.816 119.950 0.040 0.000 2.469 104 F HA 0.574 5.103 4.527 0.004 0.000 0.332 104 F C 0.807 176.740 175.800 0.221 0.000 1.103 104 F CA -0.735 57.345 58.000 0.133 0.000 0.979 104 F CB 2.029 41.109 39.000 0.135 0.000 1.137 104 F HN 0.349 nan 8.300 nan 0.000 0.463 105 T N 2.116 116.899 114.554 0.381 0.000 2.928 105 T HA 0.188 4.540 4.350 0.003 0.000 0.296 105 T C -0.803 173.742 174.700 -0.257 0.000 1.000 105 T CA -0.812 61.355 62.100 0.112 0.000 0.989 105 T CB 1.538 70.415 68.868 0.015 0.000 1.005 105 T HN 0.556 nan 8.240 nan 0.000 0.442 106 E N 2.774 122.643 120.200 -0.550 0.000 2.316 106 E HA 0.423 4.775 4.350 0.003 0.000 0.275 106 E C -0.092 176.221 176.600 -0.478 0.000 1.029 106 E CA -0.616 55.160 56.400 -1.039 0.000 0.871 106 E CB 0.646 29.839 29.700 -0.844 0.000 1.022 106 E HN 0.515 nan 8.360 nan 0.000 0.418 107 V N 1.212 120.861 119.914 -0.442 0.000 2.881 107 V HA 0.796 4.918 4.120 0.003 0.000 0.316 107 V C 0.158 176.144 176.094 -0.181 0.000 1.070 107 V CA -0.769 61.389 62.300 -0.236 0.000 0.976 107 V CB 1.289 33.004 31.823 -0.181 0.000 1.038 107 V HN 0.821 nan 8.190 nan 0.000 0.446 108 A N 2.227 124.981 122.820 -0.110 0.000 2.507 108 A HA 0.570 4.892 4.320 0.003 0.000 0.235 108 A C 1.779 179.322 177.584 -0.068 0.000 1.070 108 A CA 0.420 52.416 52.037 -0.069 0.000 0.768 108 A CB -0.135 18.837 19.000 -0.048 0.000 1.011 108 A HN 2.210 nan 8.150 nan 0.000 0.502 109 A N 1.929 124.726 122.820 -0.040 0.000 1.971 109 A HA -0.086 4.236 4.320 0.003 0.000 0.222 109 A C 2.198 179.740 177.584 -0.070 0.000 1.182 109 A CA 2.698 54.706 52.037 -0.048 0.000 0.649 109 A CB -1.220 17.766 19.000 -0.023 0.000 0.818 109 A HN 1.513 nan 8.150 nan 0.000 0.458 110 G N -1.703 107.067 108.800 -0.051 0.000 2.430 110 G HA2 0.282 4.244 3.960 0.003 0.000 0.216 110 G HA3 0.282 4.244 3.960 0.003 0.000 0.216 110 G C 1.004 175.877 174.900 -0.046 0.000 1.146 110 G CA 1.065 46.139 45.100 -0.044 0.000 0.793 110 G HN 1.009 nan 8.290 nan 0.000 0.537 111 Q N 0.029 119.797 119.800 -0.053 0.000 2.361 111 Q HA 0.548 4.889 4.340 0.003 0.000 0.276 111 Q C 0.376 176.342 176.000 -0.057 0.000 1.022 111 Q CA 0.320 56.091 55.803 -0.053 0.000 0.898 111 Q CB -0.616 28.084 28.738 -0.064 0.000 1.246 111 Q HN 0.871 nan 8.270 nan 0.000 0.410 112 K N 0.359 120.735 120.400 -0.039 0.000 2.412 112 K HA 0.667 4.989 4.320 0.003 0.000 0.281 112 K C 0.167 176.738 176.600 -0.049 0.000 1.027 112 K CA 0.306 56.576 56.287 -0.029 0.000 0.989 112 K CB 0.589 33.085 32.500 -0.006 0.000 0.935 112 K HN 1.879 nan 8.250 nan 0.000 0.475 113 A N 1.841 124.628 122.820 -0.054 0.000 2.423 113 A HA 0.596 4.918 4.320 0.003 0.000 0.304 113 A C 0.659 178.205 177.584 -0.062 0.000 1.104 113 A CA -0.490 51.498 52.037 -0.082 0.000 0.757 113 A CB 1.282 20.210 19.000 -0.120 0.000 1.313 113 A HN 0.820 nan 8.150 nan 0.000 0.423 114 N N -0.380 118.243 118.700 -0.129 0.000 2.171 114 N HA 0.093 4.834 4.740 0.003 0.000 0.184 114 N C -0.143 175.304 175.510 -0.105 0.000 1.021 114 N CA 1.060 53.984 53.050 -0.210 0.000 0.854 114 N CB -0.000 38.059 38.487 -0.714 0.000 0.994 114 N HN 0.632 nan 8.380 nan 0.000 0.426 115 I N 0.834 121.314 120.570 -0.149 0.000 2.406 115 I HA 0.243 4.415 4.170 0.003 0.000 0.290 115 I C -0.484 175.467 176.117 -0.277 0.000 0.999 115 I CA -0.639 60.548 61.300 -0.188 0.000 1.124 115 I CB 1.754 39.614 38.000 -0.232 0.000 1.289 115 I HN 0.054 nan 8.210 nan 0.000 0.441 116 T N 1.991 116.301 114.554 -0.407 0.000 2.916 116 T HA 0.704 5.055 4.350 0.003 0.000 0.292 116 T C -0.806 173.430 174.700 -0.773 0.000 1.055 116 T CA -0.707 61.136 62.100 -0.428 0.000 1.009 116 T CB 1.802 70.540 68.868 -0.216 0.000 1.118 116 T HN 0.152 nan 8.240 nan 0.000 0.497 117 F N 0.094 119.706 119.950 -0.562 0.000 2.507 117 F HA 0.773 5.302 4.527 0.003 0.000 0.325 117 F C 0.704 176.075 175.800 -0.715 0.000 1.116 117 F CA -0.430 57.094 58.000 -0.793 0.000 0.930 117 F CB 2.651 40.880 39.000 -1.285 0.000 1.146 117 F HN 1.133 nan 8.300 nan 0.000 0.447 118 G N 2.110 110.612 108.800 -0.497 0.000 2.718 118 G HA2 0.396 4.358 3.960 0.003 0.000 0.295 118 G HA3 0.396 4.358 3.960 0.003 0.000 0.295 118 G C -1.853 173.277 174.900 0.384 0.000 1.421 118 G CA -0.917 44.087 45.100 -0.159 0.000 0.902 118 G HN 0.417 nan 8.290 nan 0.000 0.501 119 N N -0.336 118.720 118.700 0.593 0.000 2.456 119 N HA 0.607 5.349 4.740 0.003 0.000 0.296 119 N C -1.128 174.672 175.510 0.482 0.000 1.102 119 N CA -0.190 53.182 53.050 0.537 0.000 0.924 119 N CB 2.027 40.746 38.487 0.386 0.000 1.186 119 N HN 0.666 nan 8.380 nan 0.000 0.492 120 Y N -2.180 118.283 120.300 0.271 0.000 2.576 120 Y HA 0.592 5.144 4.550 0.003 0.000 0.346 120 Y C 0.426 176.356 175.900 0.050 0.000 1.018 120 Y CA -0.991 57.154 58.100 0.074 0.000 1.050 120 Y CB 1.266 39.708 38.460 -0.030 0.000 1.280 120 Y HN 0.466 nan 8.280 nan 0.000 0.474 121 S N -0.503 115.231 115.700 0.057 0.000 2.684 121 S HA 0.342 4.814 4.470 0.003 0.000 0.268 121 S C -0.388 174.156 174.600 -0.094 0.000 1.075 121 S CA -0.307 57.891 58.200 -0.003 0.000 1.184 121 S CB 0.092 63.388 63.200 0.159 0.000 1.129 121 S HN 0.726 nan 8.310 nan 0.000 0.630 122 Q N 1.417 121.143 119.800 -0.124 0.000 2.356 122 Q HA 0.369 4.711 4.340 0.003 0.000 0.270 122 Q C -0.899 175.067 176.000 -0.057 0.000 1.058 122 Q CA -0.490 55.192 55.803 -0.202 0.000 0.802 122 Q CB 1.919 30.435 28.738 -0.370 0.000 1.303 122 Q HN 0.277 nan 8.270 nan 0.000 0.444 123 D N 1.160 121.564 120.400 0.007 0.000 2.348 123 D HA -0.035 4.607 4.640 0.003 0.000 0.211 123 D C 0.073 176.352 176.300 -0.035 0.000 0.998 123 D CA 0.462 54.462 54.000 0.001 0.000 0.873 123 D CB 0.400 41.239 40.800 0.066 0.000 0.925 123 D HN 0.521 nan 8.370 nan 0.000 0.524 124 R N -1.689 118.800 120.500 -0.019 0.000 2.690 124 R HA 0.490 4.832 4.340 0.003 0.000 0.269 124 R C -3.361 172.916 176.300 -0.037 0.000 1.037 124 R CA -1.850 54.227 56.100 -0.038 0.000 0.877 124 R CB -0.040 30.239 30.300 -0.035 0.000 1.255 124 R HN -0.314 nan 8.270 nan 0.000 0.467 125 P HA 0.014 nan 4.420 nan 0.000 0.261 125 P C 0.590 177.899 177.300 0.015 0.000 1.183 125 P CA 1.874 64.959 63.100 -0.024 0.000 0.761 125 P CB 0.511 32.209 31.700 -0.004 0.000 0.785 126 G N 1.645 110.450 108.800 0.008 0.000 2.155 126 G HA2 -0.258 3.704 3.960 0.003 0.000 0.257 126 G HA3 -0.258 3.704 3.960 0.003 0.000 0.257 126 G C 0.087 175.042 174.900 0.092 0.000 0.983 126 G CA -0.024 45.112 45.100 0.061 0.000 0.676 126 G HN 0.817 nan 8.290 nan 0.000 0.528 127 H N -0.748 118.253 119.070 -0.115 0.000 2.970 127 H HA 0.455 5.013 4.556 0.003 0.000 0.315 127 H C -0.564 174.675 175.328 -0.149 0.000 0.992 127 H CA -0.771 55.250 56.048 -0.046 0.000 1.363 127 H CB 0.495 30.255 29.762 -0.004 0.000 1.532 127 H HN 0.150 nan 8.280 nan 0.000 0.514 128 Y N 2.659 122.750 120.300 -0.349 0.000 2.511 128 Y HA -0.013 4.539 4.550 0.003 0.000 0.332 128 Y C 0.845 176.389 175.900 -0.594 0.000 1.177 128 Y CA 0.367 58.225 58.100 -0.403 0.000 1.422 128 Y CB 0.501 38.753 38.460 -0.347 0.000 1.271 128 Y HN 0.616 nan 8.280 nan 0.000 0.550 129 D N 2.265 122.463 120.400 -0.337 0.000 2.329 129 D HA 0.149 4.791 4.640 0.003 0.000 0.232 129 D C -0.875 175.210 176.300 -0.359 0.000 1.088 129 D CA -0.396 53.484 54.000 -0.201 0.000 0.835 129 D CB 0.330 41.151 40.800 0.035 0.000 1.078 129 D HN 0.427 nan 8.370 nan 0.000 0.495 130 Y N 1.478 121.830 120.300 0.087 0.000 2.531 130 Y HA 0.335 4.887 4.550 0.003 0.000 0.249 130 Y C 1.917 177.860 175.900 0.072 0.000 1.168 130 Y CA -0.304 57.838 58.100 0.070 0.000 1.226 130 Y CB 1.380 39.868 38.460 0.047 0.000 1.177 130 Y HN 0.551 nan 8.280 nan 0.000 0.527 131 G N -0.592 108.309 108.800 0.170 0.000 2.850 131 G HA2 0.052 4.014 3.960 0.003 0.000 0.211 131 G HA3 0.052 4.014 3.960 0.003 0.000 0.211 131 G C 0.658 175.631 174.900 0.121 0.000 1.124 131 G CA 0.463 45.647 45.100 0.139 0.000 0.769 131 G HN 0.265 nan 8.290 nan 0.000 0.535 132 T N -2.807 111.838 114.554 0.151 0.000 2.936 132 T HA 0.571 4.923 4.350 0.003 0.000 0.282 132 T C 0.610 175.422 174.700 0.186 0.000 1.003 132 T CA -0.443 61.770 62.100 0.187 0.000 1.005 132 T CB 2.527 71.572 68.868 0.295 0.000 1.097 132 T HN 0.013 nan 8.240 nan 0.000 0.532 133 Q N 0.647 120.572 119.800 0.209 0.000 2.622 133 Q HA 0.674 5.016 4.340 0.003 0.000 0.208 133 Q C 0.046 176.190 176.000 0.241 0.000 0.911 133 Q CA 0.812 56.731 55.803 0.194 0.000 0.893 133 Q CB 0.372 29.215 28.738 0.174 0.000 1.124 133 Q HN 1.175 nan 8.270 nan 0.000 0.634 134 A N -1.210 121.775 122.820 0.275 0.000 2.544 134 A HA 0.614 4.936 4.320 0.003 0.000 0.291 134 A C -1.921 175.790 177.584 0.213 0.000 1.055 134 A CA -0.235 51.901 52.037 0.165 0.000 0.651 134 A CB 0.348 19.409 19.000 0.101 0.000 1.296 134 A HN 0.548 nan 8.150 nan 0.000 0.431 135 Y N -3.099 117.199 120.300 -0.002 0.000 2.677 135 Y HA 0.901 5.452 4.550 0.003 0.000 0.334 135 Y C -0.499 175.257 175.900 -0.239 0.000 1.196 135 Y CA -0.783 57.258 58.100 -0.097 0.000 1.059 135 Y CB 0.752 39.101 38.460 -0.186 0.000 1.315 135 Y HN 2.077 nan 8.280 nan 0.000 0.455 136 A N 0.972 123.670 122.820 -0.204 0.000 2.610 136 A HA 0.817 5.139 4.320 0.003 0.000 0.291 136 A C -2.425 174.807 177.584 -0.588 0.000 1.086 136 A CA -0.891 50.949 52.037 -0.328 0.000 0.677 136 A CB 1.080 20.028 19.000 -0.086 0.000 1.278 136 A HN 0.614 nan 8.150 nan 0.000 0.414 137 F N 0.474 120.436 119.950 0.019 0.000 2.458 137 F HA 0.616 5.144 4.527 0.003 0.000 0.336 137 F C 0.157 175.920 175.800 -0.061 0.000 1.114 137 F CA -0.669 57.306 58.000 -0.042 0.000 0.987 137 F CB 1.496 40.482 39.000 -0.024 0.000 1.130 137 F HN 0.390 nan 8.300 nan 0.000 0.458 138 L N 5.297 126.545 121.223 0.041 0.000 2.473 138 L HA 0.278 4.620 4.340 0.003 0.000 0.268 138 L C -1.915 174.873 176.870 -0.136 0.000 1.215 138 L CA -1.457 53.359 54.840 -0.039 0.000 0.823 138 L CB -0.180 41.840 42.059 -0.065 0.000 1.099 138 L HN 0.362 nan 8.230 nan 0.000 0.483 139 P HA 0.011 nan 4.420 nan 0.000 0.269 139 P C -0.678 176.375 177.300 -0.412 0.000 1.209 139 P CA 0.059 62.734 63.100 -0.708 0.000 0.776 139 P CB 0.334 31.282 31.700 -1.253 0.000 0.876 140 N N -1.398 117.065 118.700 -0.396 0.000 2.776 140 N HA -0.105 4.637 4.740 0.003 0.000 0.249 140 N C -0.734 174.694 175.510 -0.137 0.000 1.111 140 N CA 0.926 53.846 53.050 -0.216 0.000 0.711 140 N CB -2.611 35.774 38.487 -0.170 0.000 1.065 140 N HN 0.408 nan 8.380 nan 0.000 0.556 141 T N 1.911 116.393 114.554 -0.121 0.000 2.794 141 T HA 0.385 4.737 4.350 0.003 0.000 0.304 141 T C 0.784 175.449 174.700 -0.059 0.000 0.973 141 T CA -0.381 61.675 62.100 -0.074 0.000 0.972 141 T CB 0.809 69.653 68.868 -0.040 0.000 0.952 141 T HN 0.065 nan 8.240 nan 0.000 0.509 142 I N 3.300 123.861 120.570 -0.015 0.000 2.331 142 I HA 0.375 4.547 4.170 0.003 0.000 0.292 142 I C -0.140 176.089 176.117 0.185 0.000 0.998 142 I CA -1.010 60.313 61.300 0.039 0.000 1.267 142 I CB 1.032 39.035 38.000 0.005 0.000 1.386 142 I HN 0.699 nan 8.210 nan 0.000 0.476 143 W N 7.229 128.455 121.300 -0.124 0.000 2.830 143 W HA 0.174 4.835 4.660 0.002 0.000 0.335 143 W C -0.357 176.103 176.519 -0.097 0.000 1.043 143 W CA -0.702 56.570 57.345 -0.122 0.000 1.239 143 W CB 1.636 30.994 29.460 -0.170 0.000 1.378 143 W HN 0.649 nan 8.180 nan 0.000 0.456 144 Q N 3.215 122.764 119.800 -0.419 0.000 2.434 144 Q HA -0.234 4.108 4.340 0.003 0.000 0.299 144 Q C 0.817 176.718 176.000 -0.166 0.000 1.286 144 Q CA 1.708 57.288 55.803 -0.373 0.000 0.872 144 Q CB -2.284 26.190 28.738 -0.440 0.000 1.193 144 Q HN 1.171 nan 8.270 nan 0.000 0.466 145 G N -0.701 108.037 108.800 -0.103 0.000 2.168 145 G HA2 -0.340 3.622 3.960 0.003 0.000 0.263 145 G HA3 -0.340 3.622 3.960 0.003 0.000 0.263 145 G C -0.026 174.858 174.900 -0.028 0.000 0.977 145 G CA 0.844 45.909 45.100 -0.059 0.000 0.659 145 G HN 0.516 nan 8.290 nan 0.000 0.533 146 Q N -0.032 119.764 119.800 -0.007 0.000 2.337 146 Q HA 0.533 4.875 4.340 0.003 0.000 0.266 146 Q C -1.095 174.921 176.000 0.026 0.000 1.023 146 Q CA -0.899 54.914 55.803 0.016 0.000 0.829 146 Q CB 1.966 30.722 28.738 0.029 0.000 1.306 146 Q HN 0.178 nan 8.270 nan 0.000 0.449 147 D N 2.052 122.460 120.400 0.014 0.000 2.295 147 D HA 0.133 4.775 4.640 0.003 0.000 0.248 147 D C 0.112 176.404 176.300 -0.013 0.000 1.154 147 D CA -0.032 53.964 54.000 -0.008 0.000 0.857 147 D CB 0.936 41.731 40.800 -0.007 0.000 1.117 147 D HN 0.563 nan 8.370 nan 0.000 0.468 148 L N 2.701 123.873 121.223 -0.086 0.000 2.509 148 L HA 0.261 4.603 4.340 0.003 0.000 0.222 148 L C 1.554 178.426 176.870 0.004 0.000 1.123 148 L CA -0.196 54.539 54.840 -0.176 0.000 0.856 148 L CB -0.324 41.341 42.059 -0.657 0.000 0.985 148 L HN 0.415 nan 8.230 nan 0.000 0.456 149 G N -0.014 108.788 108.800 0.002 0.000 2.224 149 G HA2 0.269 4.231 3.960 0.003 0.000 0.239 149 G HA3 0.269 4.231 3.960 0.003 0.000 0.239 149 G C 1.109 176.146 174.900 0.228 0.000 1.240 149 G CA 0.489 45.599 45.100 0.016 0.000 0.896 149 G HN 0.447 nan 8.290 nan 0.000 0.496 150 G N 1.168 110.155 108.800 0.311 0.000 2.234 150 G HA2 -0.248 3.714 3.960 0.003 0.000 0.235 150 G HA3 -0.248 3.714 3.960 0.003 0.000 0.235 150 G C 0.498 175.445 174.900 0.079 0.000 0.997 150 G CA 0.382 45.697 45.100 0.359 0.000 0.623 150 G HN 0.856 nan 8.290 nan 0.000 0.514 151 Q N 1.683 121.574 119.800 0.152 0.000 2.296 151 Q HA 0.497 4.839 4.340 0.003 0.000 0.262 151 Q C 0.284 176.204 176.000 -0.134 0.000 0.981 151 Q CA 0.816 56.644 55.803 0.042 0.000 0.905 151 Q CB 0.875 29.861 28.738 0.413 0.000 1.186 151 Q HN 0.532 nan 8.270 nan 0.000 0.399 152 T N -0.328 113.890 114.554 -0.560 0.000 2.861 152 T HA 0.649 5.001 4.350 0.003 0.000 0.287 152 T C -1.147 172.947 174.700 -1.010 0.000 1.003 152 T CA -0.736 60.979 62.100 -0.643 0.000 0.977 152 T CB 0.816 69.365 68.868 -0.531 0.000 0.996 152 T HN 0.509 nan 8.240 nan 0.000 0.448 153 W N 1.714 122.502 121.300 -0.853 0.000 2.883 153 W HA 0.670 5.332 4.660 0.003 0.000 0.335 153 W C -1.561 174.488 176.519 -0.783 0.000 1.083 153 W CA -0.973 55.954 57.345 -0.697 0.000 1.233 153 W CB 1.880 30.765 29.460 -0.959 0.000 1.412 153 W HN 0.663 nan 8.180 nan 0.000 0.490 154 Y N 1.487 121.988 120.300 0.335 0.000 2.442 154 Y HA 0.251 4.803 4.550 0.003 0.000 0.344 154 Y C 0.107 175.852 175.900 -0.259 0.000 0.976 154 Y CA -1.500 56.705 58.100 0.174 0.000 1.040 154 Y CB 1.373 40.022 38.460 0.315 0.000 1.228 154 Y HN 0.279 nan 8.280 nan 0.000 0.451 155 N N 2.080 120.569 118.700 -0.351 0.000 2.421 155 N HA 0.005 4.747 4.740 0.003 0.000 0.260 155 N C 0.544 175.937 175.510 -0.196 0.000 1.173 155 N CA 0.298 52.953 53.050 -0.659 0.000 0.960 155 N CB 1.255 39.509 38.487 -0.388 0.000 1.273 155 N HN 0.724 nan 8.380 nan 0.000 0.497 156 V N 3.859 123.687 119.914 -0.142 0.000 3.241 156 V HA -0.098 4.024 4.120 0.003 0.000 0.269 156 V C 1.307 177.394 176.094 -0.012 0.000 1.151 156 V CA 1.089 63.370 62.300 -0.031 0.000 1.158 156 V CB -0.527 31.311 31.823 0.025 0.000 0.764 156 V HN 0.577 nan 8.190 nan 0.000 0.508 157 N N -0.010 118.677 118.700 -0.023 0.000 2.457 157 N HA -0.018 4.724 4.740 0.003 0.000 0.180 157 N C 0.657 176.222 175.510 0.092 0.000 1.050 157 N CA 0.457 53.532 53.050 0.042 0.000 0.906 157 N CB -0.061 38.391 38.487 -0.057 0.000 0.968 157 N HN 0.520 nan 8.380 nan 0.000 0.445 158 Q N 0.550 120.382 119.800 0.053 0.000 2.288 158 Q HA 0.126 4.468 4.340 0.003 0.000 0.258 158 Q C 1.258 177.288 176.000 0.050 0.000 0.957 158 Q CA -0.097 55.751 55.803 0.075 0.000 0.919 158 Q CB 1.240 30.025 28.738 0.078 0.000 1.185 158 Q HN 0.231 nan 8.270 nan 0.000 0.408 159 S N 2.826 118.567 115.700 0.069 0.000 2.383 159 S HA -0.288 4.184 4.470 0.003 0.000 0.229 159 S C 1.302 175.933 174.600 0.051 0.000 1.030 159 S CA 1.724 59.972 58.200 0.079 0.000 1.002 159 S CB -0.311 62.954 63.200 0.107 0.000 0.829 159 S HN 0.784 nan 8.310 nan 0.000 0.467 160 N N 1.532 120.258 118.700 0.042 0.000 2.223 160 N HA -0.077 4.665 4.740 0.003 0.000 0.185 160 N C 1.419 176.863 175.510 -0.111 0.000 1.016 160 N CA 1.276 54.326 53.050 -0.000 0.000 0.863 160 N CB -0.654 37.872 38.487 0.064 0.000 0.983 160 N HN 0.320 nan 8.380 nan 0.000 0.429 161 V N 0.293 120.162 119.914 -0.075 0.000 2.379 161 V HA -0.113 4.009 4.120 0.003 0.000 0.245 161 V C 2.536 178.523 176.094 -0.179 0.000 1.044 161 V CA 1.500 63.745 62.300 -0.092 0.000 1.036 161 V CB -0.638 31.216 31.823 0.052 0.000 0.664 161 V HN 0.407 nan 8.190 nan 0.000 0.453 162 K N -0.792 119.485 120.400 -0.205 0.000 2.103 162 K HA -0.107 4.215 4.320 0.003 0.000 0.204 162 K C 0.658 176.872 176.600 -0.643 0.000 1.052 162 K CA 1.024 57.073 56.287 -0.397 0.000 0.945 162 K CB 0.089 32.352 32.500 -0.396 0.000 0.722 162 K HN 0.491 nan 8.250 nan 0.000 0.443 163 H N 0.102 119.107 119.070 -0.107 0.000 2.317 163 H HA 0.165 4.722 4.556 0.003 0.000 0.231 163 H C -2.111 173.126 175.328 -0.152 0.000 1.442 163 H CA -1.934 54.048 56.048 -0.110 0.000 1.336 163 H CB 1.378 31.101 29.762 -0.065 0.000 1.533 163 H HN 0.230 nan 8.280 nan 0.000 0.522 164 P HA -0.082 nan 4.420 nan 0.000 0.222 164 P C 1.362 178.563 177.300 -0.164 0.000 1.147 164 P CA 0.796 63.707 63.100 -0.315 0.000 0.790 164 P CB 0.401 31.711 31.700 -0.651 0.000 0.780 165 A N 0.153 122.926 122.820 -0.077 0.000 2.066 165 A HA -0.044 4.278 4.320 0.003 0.000 0.218 165 A C 1.995 179.572 177.584 -0.012 0.000 1.157 165 A CA 1.991 54.007 52.037 -0.035 0.000 0.670 165 A CB -1.282 17.709 19.000 -0.016 0.000 0.804 165 A HN 0.386 nan 8.150 nan 0.000 0.453 166 T N -3.246 111.309 114.554 0.001 0.000 2.959 166 T HA 0.225 4.576 4.350 0.003 0.000 0.254 166 T C 0.237 174.954 174.700 0.029 0.000 1.003 166 T CA -0.134 61.971 62.100 0.009 0.000 0.950 166 T CB 0.136 68.995 68.868 -0.015 0.000 1.090 166 T HN 0.404 nan 8.240 nan 0.000 0.503 167 E N 2.840 123.054 120.200 0.024 0.000 2.102 167 E HA 0.206 4.558 4.350 0.003 0.000 0.263 167 E C -0.215 176.403 176.600 0.030 0.000 0.894 167 E CA -0.357 56.072 56.400 0.047 0.000 0.746 167 E CB 1.412 31.140 29.700 0.045 0.000 1.129 167 E HN 0.355 nan 8.360 nan 0.000 0.416 168 D N 2.096 122.563 120.400 0.112 0.000 2.263 168 D HA -0.264 4.378 4.640 0.003 0.000 0.208 168 D C 1.387 177.751 176.300 0.106 0.000 0.971 168 D CA 0.921 54.999 54.000 0.131 0.000 0.867 168 D CB -0.172 40.764 40.800 0.228 0.000 0.929 168 D HN 0.468 nan 8.370 nan 0.000 0.492 169 Y N 1.457 121.711 120.300 -0.076 0.000 2.352 169 Y HA 0.105 4.657 4.550 0.003 0.000 0.292 169 Y C 2.469 178.224 175.900 -0.241 0.000 1.136 169 Y CA 1.355 59.248 58.100 -0.345 0.000 1.227 169 Y CB -0.367 37.758 38.460 -0.558 0.000 0.991 169 Y HN 0.054 nan 8.280 nan 0.000 0.545 170 G N -0.205 108.422 108.800 -0.289 0.000 2.404 170 G HA2 -0.299 3.663 3.960 0.003 0.000 0.215 170 G HA3 -0.299 3.663 3.960 0.003 0.000 0.215 170 G C 1.737 176.201 174.900 -0.726 0.000 1.174 170 G CA 0.867 45.674 45.100 -0.488 0.000 0.780 170 G HN 0.322 nan 8.290 nan 0.000 0.537 171 R N 0.504 120.703 120.500 -0.501 0.000 2.081 171 R HA -0.038 4.304 4.340 0.003 0.000 0.235 171 R C 2.489 178.658 176.300 -0.219 0.000 1.131 171 R CA 2.081 57.944 56.100 -0.395 0.000 0.960 171 R CB -0.737 29.456 30.300 -0.178 0.000 0.856 171 R HN 0.488 nan 8.270 nan 0.000 0.436 172 Q N -0.774 118.907 119.800 -0.197 0.000 2.124 172 Q HA -0.133 4.209 4.340 0.003 0.000 0.202 172 Q C 1.406 177.348 176.000 -0.097 0.000 0.977 172 Q CA 2.116 57.850 55.803 -0.115 0.000 0.850 172 Q CB -0.077 28.614 28.738 -0.078 0.000 0.901 172 Q HN 0.406 nan 8.270 nan 0.000 0.429 173 T N 0.720 115.107 114.554 -0.278 0.000 2.720 173 T HA -0.133 4.219 4.350 0.003 0.000 0.268 173 T C 1.280 176.230 174.700 0.416 0.000 1.037 173 T CA 1.248 63.311 62.100 -0.062 0.000 1.144 173 T CB -0.281 68.491 68.868 -0.161 0.000 0.864 173 T HN 0.251 nan 8.240 nan 0.000 0.444 174 F N 2.008 122.042 119.950 0.139 0.000 2.095 174 F HA -0.091 4.438 4.527 0.003 0.000 0.298 174 F C 2.845 178.836 175.800 0.320 0.000 1.104 174 F CA 0.841 58.990 58.000 0.250 0.000 1.232 174 F CB -1.778 37.274 39.000 0.086 0.000 0.987 174 F HN 0.155 nan 8.300 nan 0.000 0.475 175 T N -1.711 113.102 114.554 0.431 0.000 2.746 175 T HA -0.245 4.107 4.350 0.003 0.000 0.267 175 T C 1.786 176.818 174.700 0.554 0.000 1.039 175 T CA 1.806 64.163 62.100 0.428 0.000 1.142 175 T CB -0.613 68.317 68.868 0.104 0.000 0.866 175 T HN 0.410 nan 8.240 nan 0.000 0.444 176 H N 1.139 120.373 119.070 0.272 0.000 2.293 176 H HA -0.049 4.509 4.556 0.004 0.000 0.300 176 H C 2.312 177.680 175.328 0.066 0.000 1.082 176 H CA 1.517 57.654 56.048 0.150 0.000 1.308 176 H CB 0.132 29.935 29.762 0.069 0.000 1.375 176 H HN 0.107 nan 8.280 nan 0.000 0.495 177 E N 0.578 121.039 120.200 0.434 0.000 2.110 177 E HA -0.135 4.217 4.350 0.003 0.000 0.193 177 E C 2.499 179.184 176.600 0.142 0.000 0.988 177 E CA 1.028 57.621 56.400 0.322 0.000 0.804 177 E CB -0.179 29.712 29.700 0.319 0.000 0.745 177 E HN 0.636 nan 8.360 nan 0.000 0.458 178 I N 0.823 121.502 120.570 0.181 0.000 2.286 178 I HA -0.182 3.990 4.170 0.003 0.000 0.248 178 I C 2.425 178.409 176.117 -0.222 0.000 1.115 178 I CA 1.177 62.483 61.300 0.010 0.000 1.392 178 I CB -0.527 37.557 38.000 0.141 0.000 1.065 178 I HN 0.109 nan 8.210 nan 0.000 0.418 179 G N 0.127 108.787 108.800 -0.233 0.000 2.440 179 G HA2 -0.256 3.706 3.960 0.003 0.000 0.218 179 G HA3 -0.256 3.706 3.960 0.003 0.000 0.218 179 G C 1.514 176.214 174.900 -0.334 0.000 1.154 179 G CA 0.739 45.512 45.100 -0.546 0.000 0.767 179 G HN 0.351 nan 8.290 nan 0.000 0.552 180 H N 0.799 119.763 119.070 -0.176 0.000 2.326 180 H HA 0.058 4.615 4.556 0.003 0.000 0.301 180 H C 2.943 178.219 175.328 -0.087 0.000 1.081 180 H CA 1.135 57.094 56.048 -0.149 0.000 1.334 180 H CB -0.672 29.011 29.762 -0.130 0.000 1.385 180 H HN 0.369 nan 8.280 nan 0.000 0.504 181 A N 0.783 123.650 122.820 0.079 0.000 2.076 181 A HA -0.087 4.235 4.320 0.003 0.000 0.220 181 A C 2.488 180.237 177.584 0.276 0.000 1.160 181 A CA 0.972 53.089 52.037 0.133 0.000 0.653 181 A CB -0.687 18.345 19.000 0.054 0.000 0.801 181 A HN 0.314 nan 8.150 nan 0.000 0.455 182 L N -2.354 118.938 121.223 0.114 0.000 2.477 182 L HA 0.247 4.588 4.340 0.003 0.000 0.220 182 L C 1.660 178.663 176.870 0.222 0.000 1.106 182 L CA 0.672 55.647 54.840 0.224 0.000 0.851 182 L CB 0.156 42.177 42.059 -0.064 0.000 0.994 182 L HN 0.554 nan 8.230 nan 0.000 0.462 183 G N -0.403 108.433 108.800 0.061 0.000 2.273 183 G HA2 -0.136 3.826 3.960 0.003 0.000 0.162 183 G HA3 -0.136 3.826 3.960 0.003 0.000 0.162 183 G C 0.047 174.942 174.900 -0.008 0.000 1.006 183 G CA -0.674 44.437 45.100 0.018 0.000 0.704 183 G HN 0.056 nan 8.290 nan 0.000 0.487 184 L N 1.675 122.876 121.223 -0.036 0.000 2.350 184 L HA 0.694 5.036 4.340 0.003 0.000 0.275 184 L C 0.580 177.463 176.870 0.022 0.000 1.099 184 L CA -0.466 54.350 54.840 -0.040 0.000 0.808 184 L CB 1.519 43.516 42.059 -0.103 0.000 1.149 184 L HN 0.131 nan 8.230 nan 0.000 0.442 185 S N -0.758 114.938 115.700 -0.006 0.000 2.767 185 S HA 0.434 4.906 4.470 0.003 0.000 0.300 185 S C -0.456 174.144 174.600 -0.001 0.000 1.123 185 S CA -0.727 57.455 58.200 -0.030 0.000 0.992 185 S CB 1.080 64.229 63.200 -0.084 0.000 1.138 185 S HN 0.499 nan 8.310 nan 0.000 0.550 186 H N 0.887 120.037 119.070 0.135 0.000 2.679 186 H HA 0.141 4.699 4.556 0.004 0.000 0.369 186 H C -1.695 173.701 175.328 0.112 0.000 1.178 186 H CA -1.651 54.464 56.048 0.111 0.000 1.419 186 H CB 0.203 30.075 29.762 0.182 0.000 1.458 186 H HN 0.341 nan 8.280 nan 0.000 0.605 187 P HA 0.018 nan 4.420 nan 0.000 0.239 187 P C -0.094 177.517 177.300 0.519 0.000 1.184 187 P CA 0.769 64.139 63.100 0.451 0.000 0.760 187 P CB 0.512 32.447 31.700 0.391 0.000 0.884 188 G N -1.398 107.519 108.800 0.196 0.000 2.646 188 G HA2 0.279 4.241 3.960 0.003 0.000 0.291 188 G HA3 0.279 4.241 3.960 0.003 0.000 0.291 188 G C -2.037 172.503 174.900 -0.600 0.000 1.445 188 G CA -0.491 44.612 45.100 0.006 0.000 0.814 188 G HN -0.308 nan 8.290 nan 0.000 0.495 189 D N 0.580 120.764 120.400 -0.360 0.000 2.249 189 D HA 0.559 5.201 4.640 0.003 0.000 0.246 189 D C -1.061 175.067 176.300 -0.287 0.000 1.114 189 D CA 0.681 54.496 54.000 -0.310 0.000 0.854 189 D CB 1.389 42.155 40.800 -0.056 0.000 1.132 189 D HN 0.405 nan 8.370 nan 0.000 0.461 190 Y N -0.864 119.562 120.300 0.210 0.000 2.337 190 Y HA 0.256 4.808 4.550 0.004 0.000 0.318 190 Y C -1.219 174.785 175.900 0.174 0.000 1.258 190 Y CA -1.468 56.751 58.100 0.199 0.000 1.132 190 Y CB -0.108 38.518 38.460 0.276 0.000 1.307 190 Y HN 0.155 nan 8.280 nan 0.000 0.428 191 N N 2.047 120.926 118.700 0.298 0.000 2.424 191 N HA 0.786 5.528 4.740 0.003 0.000 0.271 191 N C -0.401 175.204 175.510 0.159 0.000 0.985 191 N CA -0.097 53.073 53.050 0.200 0.000 0.921 191 N CB 1.457 40.015 38.487 0.120 0.000 1.149 191 N HN 1.056 nan 8.380 nan 0.000 0.492 192 A N 2.593 125.489 122.820 0.126 0.000 2.301 192 A HA 0.725 5.047 4.320 0.003 0.000 0.287 192 A C 1.440 179.052 177.584 0.046 0.000 1.274 192 A CA 0.181 52.260 52.037 0.070 0.000 0.865 192 A CB -0.728 18.279 19.000 0.011 0.000 1.324 192 A HN 1.193 nan 8.150 nan 0.000 0.508 193 G N -0.810 108.007 108.800 0.028 0.000 5.059 193 G HA2 -0.303 3.659 3.960 0.003 0.000 0.336 193 G HA3 -0.303 3.659 3.960 0.003 0.000 0.336 193 G C 0.537 175.452 174.900 0.024 0.000 1.364 193 G CA 0.748 45.861 45.100 0.021 0.000 1.020 193 G HN 0.737 nan 8.290 nan 0.000 0.807 194 E N 3.186 123.401 120.200 0.024 0.000 2.359 194 E HA 0.442 4.794 4.350 0.003 0.000 0.187 194 E C 0.895 177.518 176.600 0.039 0.000 1.081 194 E CA 0.873 57.288 56.400 0.024 0.000 0.929 194 E CB -0.012 29.696 29.700 0.014 0.000 1.086 194 E HN 0.982 nan 8.360 nan 0.000 0.462 195 G N 0.014 108.844 108.800 0.051 0.000 2.623 195 G HA2 0.308 4.270 3.960 0.003 0.000 0.290 195 G HA3 0.308 4.270 3.960 0.003 0.000 0.290 195 G C -1.614 173.327 174.900 0.068 0.000 1.437 195 G CA -0.690 44.450 45.100 0.066 0.000 0.798 195 G HN -0.046 nan 8.290 nan 0.000 0.488 196 D N 1.015 121.456 120.400 0.070 0.000 2.613 196 D HA 0.401 5.043 4.640 0.003 0.000 0.312 196 D C -1.744 174.597 176.300 0.070 0.000 1.202 196 D CA -0.948 53.089 54.000 0.062 0.000 0.825 196 D CB 0.979 41.800 40.800 0.036 0.000 1.113 196 D HN 0.295 nan 8.370 nan 0.000 0.502 197 P HA 0.309 nan 4.420 nan 0.000 0.274 197 P C -0.303 177.009 177.300 0.020 0.000 1.237 197 P CA -0.262 62.913 63.100 0.125 0.000 0.793 197 P CB 1.555 33.416 31.700 0.268 0.000 0.977 198 T N -2.756 111.604 114.554 -0.324 0.000 2.812 198 T HA 0.164 4.516 4.350 0.003 0.000 0.294 198 T C 0.612 174.448 174.700 -1.441 0.000 1.159 198 T CA -0.553 61.059 62.100 -0.813 0.000 1.008 198 T CB 0.551 69.183 68.868 -0.393 0.000 1.289 198 T HN 0.338 nan 8.240 nan 0.000 0.514 199 Y N 1.284 120.542 120.300 -1.736 0.000 2.315 199 Y HA 0.065 4.617 4.550 0.003 0.000 0.288 199 Y C 2.494 177.970 175.900 -0.707 0.000 1.154 199 Y CA 1.838 59.024 58.100 -1.524 0.000 1.229 199 Y CB -0.848 37.101 38.460 -0.853 0.000 0.980 199 Y HN 0.810 nan 8.280 nan 0.000 0.540 200 A N -0.424 122.072 122.820 -0.540 0.000 2.178 200 A HA -0.126 4.196 4.320 0.003 0.000 0.218 200 A C 1.355 178.747 177.584 -0.320 0.000 1.157 200 A CA 1.611 53.420 52.037 -0.379 0.000 0.689 200 A CB -0.467 18.406 19.000 -0.212 0.000 0.787 200 A HN 0.522 nan 8.150 nan 0.000 0.465 201 D N 0.000 120.221 120.400 -0.299 0.000 2.342 201 D HA 0.157 4.799 4.640 0.003 0.000 0.221 201 D C 0.713 177.069 176.300 0.093 0.000 1.101 201 D CA 0.246 54.214 54.000 -0.053 0.000 0.837 201 D CB 0.032 40.881 40.800 0.082 0.000 0.938 201 D HN 0.379 nan 8.370 nan 0.000 0.508 202 V N -1.589 118.255 119.914 -0.116 0.000 3.003 202 V HA 0.218 4.339 4.120 0.003 0.000 0.305 202 V C 1.374 177.406 176.094 -0.103 0.000 1.078 202 V CA -0.247 62.050 62.300 -0.005 0.000 1.083 202 V CB 1.299 32.955 31.823 -0.279 0.000 1.039 202 V HN -0.159 nan 8.190 nan 0.000 0.481 203 T N 2.026 116.531 114.554 -0.082 0.000 2.937 203 T HA 0.170 4.522 4.350 0.003 0.000 0.260 203 T C 0.139 174.641 174.700 -0.329 0.000 1.051 203 T CA 1.883 63.889 62.100 -0.156 0.000 1.141 203 T CB -0.316 68.459 68.868 -0.154 0.000 0.879 203 T HN 0.937 nan 8.240 nan 0.000 0.459 204 Y N -1.943 117.991 120.300 -0.608 0.000 2.524 204 Y HA 0.811 5.363 4.550 0.004 0.000 0.347 204 Y C 0.902 176.556 175.900 -0.409 0.000 1.005 204 Y CA -1.742 55.899 58.100 -0.766 0.000 1.025 204 Y CB 0.842 38.293 38.460 -1.682 0.000 1.275 204 Y HN -0.101 nan 8.280 nan 0.000 0.460 205 A N 1.318 123.994 122.820 -0.241 0.000 1.927 205 A HA -0.222 4.100 4.320 0.003 0.000 0.220 205 A C 1.348 178.872 177.584 -0.101 0.000 1.185 205 A CA 2.219 54.189 52.037 -0.112 0.000 0.639 205 A CB -0.786 18.202 19.000 -0.019 0.000 0.820 205 A HN 0.887 nan 8.150 nan 0.000 0.451 206 E N 0.510 120.560 120.200 -0.251 0.000 2.505 206 E HA 0.013 4.365 4.350 0.003 0.000 0.197 206 E C -0.045 176.371 176.600 -0.307 0.000 1.111 206 E CA 0.285 56.399 56.400 -0.477 0.000 0.887 206 E CB -0.191 28.971 29.700 -0.897 0.000 0.913 206 E HN 0.489 nan 8.360 nan 0.000 0.517 207 D N 1.493 121.634 120.400 -0.432 0.000 2.551 207 D HA 0.009 4.650 4.640 0.003 0.000 0.223 207 D C -0.576 175.899 176.300 0.292 0.000 1.144 207 D CA 0.002 53.880 54.000 -0.203 0.000 1.025 207 D CB -0.331 40.271 40.800 -0.330 0.000 1.085 207 D HN 0.100 nan 8.370 nan 0.000 0.506 208 T N -1.269 113.460 114.554 0.292 0.000 2.816 208 T HA 0.393 4.745 4.350 0.003 0.000 0.299 208 T C 1.010 175.863 174.700 0.256 0.000 1.230 208 T CA -0.933 61.352 62.100 0.308 0.000 1.007 208 T CB 1.185 70.181 68.868 0.213 0.000 1.289 208 T HN 0.099 nan 8.240 nan 0.000 0.508 209 R N 0.039 120.652 120.500 0.188 0.000 2.357 209 R HA -0.021 4.321 4.340 0.003 0.000 0.202 209 R C 2.244 178.599 176.300 0.092 0.000 1.047 209 R CA 0.926 57.118 56.100 0.153 0.000 1.034 209 R CB -0.145 30.255 30.300 0.166 0.000 0.875 209 R HN 0.740 nan 8.270 nan 0.000 0.473 210 Q N -0.426 119.404 119.800 0.049 0.000 2.212 210 Q HA -0.071 4.270 4.340 0.003 0.000 0.199 210 Q C 0.752 176.621 176.000 -0.218 0.000 0.950 210 Q CA 1.242 56.938 55.803 -0.177 0.000 0.863 210 Q CB 0.270 28.750 28.738 -0.429 0.000 0.944 210 Q HN 0.273 nan 8.270 nan 0.000 0.465 211 F N -0.857 119.150 119.950 0.095 0.000 2.653 211 F HA 0.322 4.851 4.527 0.003 0.000 0.288 211 F C 0.514 176.419 175.800 0.174 0.000 1.121 211 F CA -0.134 57.977 58.000 0.185 0.000 1.384 211 F CB 1.264 40.382 39.000 0.197 0.000 1.115 211 F HN -0.128 nan 8.300 nan 0.000 0.599 212 S N 0.238 116.132 115.700 0.322 0.000 2.566 212 S HA 0.419 4.891 4.470 0.003 0.000 0.273 212 S C -0.112 174.595 174.600 0.179 0.000 1.157 212 S CA -0.735 57.610 58.200 0.242 0.000 0.938 212 S CB 0.932 64.295 63.200 0.273 0.000 1.087 212 S HN 0.126 nan 8.310 nan 0.000 0.474 213 L N 2.863 124.175 121.223 0.148 0.000 2.612 213 L HA 0.476 4.818 4.340 0.003 0.000 0.230 213 L C 1.447 178.436 176.870 0.198 0.000 1.140 213 L CA 0.641 55.575 54.840 0.156 0.000 0.896 213 L CB -0.793 41.341 42.059 0.126 0.000 1.065 213 L HN 0.533 nan 8.230 nan 0.000 0.447 214 M N -0.821 118.839 119.600 0.100 0.000 2.514 214 M HA 0.185 4.667 4.480 0.003 0.000 0.258 214 M C 1.047 177.342 176.300 -0.008 0.000 1.119 214 M CA 0.306 55.564 55.300 -0.069 0.000 1.111 214 M CB -0.617 31.947 32.600 -0.059 0.000 1.390 214 M HN 0.456 nan 8.290 nan 0.000 0.475 215 S N -0.663 115.031 115.700 -0.009 0.000 2.601 215 S HA 0.192 4.664 4.470 0.003 0.000 0.271 215 S C 0.242 174.635 174.600 -0.344 0.000 1.305 215 S CA -0.269 57.849 58.200 -0.136 0.000 1.022 215 S CB 0.799 64.026 63.200 0.044 0.000 0.940 215 S HN 0.306 nan 8.310 nan 0.000 0.525 216 Y N 0.673 120.704 120.300 -0.448 0.000 2.445 216 Y HA 0.366 4.918 4.550 0.003 0.000 0.247 216 Y C -0.019 175.679 175.900 -0.336 0.000 1.129 216 Y CA -1.016 56.800 58.100 -0.474 0.000 1.251 216 Y CB 0.074 38.072 38.460 -0.770 0.000 1.176 216 Y HN 0.582 nan 8.280 nan 0.000 0.522 217 W N 0.454 121.863 121.300 0.181 0.000 2.261 217 W HA 0.401 5.062 4.660 0.003 0.000 0.323 217 W C 0.918 177.473 176.519 0.061 0.000 1.243 217 W CA -0.926 56.484 57.345 0.108 0.000 1.210 217 W CB 0.668 30.224 29.460 0.160 0.000 1.149 217 W HN -0.293 nan 8.180 nan 0.000 0.562 218 S N 2.529 118.389 115.700 0.268 0.000 2.563 218 S HA -0.122 4.350 4.470 0.003 0.000 0.284 218 S C 1.560 176.175 174.600 0.025 0.000 1.331 218 S CA -0.148 58.117 58.200 0.108 0.000 1.047 218 S CB 0.715 63.939 63.200 0.040 0.000 0.859 218 S HN 0.617 nan 8.310 nan 0.000 0.514 219 E N 3.225 123.425 120.200 0.001 0.000 2.265 219 E HA -0.155 4.197 4.350 0.003 0.000 0.196 219 E C 1.616 178.164 176.600 -0.087 0.000 0.996 219 E CA 1.668 58.041 56.400 -0.045 0.000 0.832 219 E CB -1.312 28.342 29.700 -0.078 0.000 0.756 219 E HN 0.843 nan 8.360 nan 0.000 0.491 220 T N -0.606 113.893 114.554 -0.091 0.000 2.929 220 T HA -0.087 4.265 4.350 0.003 0.000 0.271 220 T C 1.583 176.195 174.700 -0.147 0.000 1.085 220 T CA 1.034 63.073 62.100 -0.100 0.000 1.125 220 T CB -0.345 68.470 68.868 -0.087 0.000 0.874 220 T HN 0.072 nan 8.240 nan 0.000 0.494 221 N N 1.814 120.366 118.700 -0.245 0.000 2.289 221 N HA -0.063 4.679 4.740 0.003 0.000 0.184 221 N C 1.579 176.900 175.510 -0.315 0.000 1.016 221 N CA 1.855 54.625 53.050 -0.467 0.000 0.872 221 N CB -0.240 37.584 38.487 -1.106 0.000 0.973 221 N HN 0.790 nan 8.380 nan 0.000 0.433 222 T N -3.874 110.595 114.554 -0.141 0.000 3.085 222 T HA 0.425 4.777 4.350 0.003 0.000 0.264 222 T C 1.142 175.891 174.700 0.081 0.000 1.019 222 T CA 0.258 62.375 62.100 0.027 0.000 0.910 222 T CB 0.832 69.815 68.868 0.191 0.000 1.059 222 T HN 0.208 nan 8.240 nan 0.000 0.542 223 G N 0.433 109.233 108.800 -0.000 0.000 2.159 223 G HA2 -0.028 3.934 3.960 0.003 0.000 0.227 223 G HA3 -0.028 3.934 3.960 0.003 0.000 0.227 223 G C 0.386 175.297 174.900 0.018 0.000 0.986 223 G CA -0.379 44.732 45.100 0.018 0.000 0.651 223 G HN 0.970 nan 8.290 nan 0.000 0.523 224 G N -0.924 107.843 108.800 -0.055 0.000 2.547 224 G HA2 0.552 4.514 3.960 0.003 0.000 0.291 224 G HA3 0.552 4.514 3.960 0.003 0.000 0.291 224 G C -0.927 173.926 174.900 -0.078 0.000 1.211 224 G CA 0.460 45.498 45.100 -0.103 0.000 0.950 224 G HN 0.482 nan 8.290 nan 0.000 0.504 225 D N -0.777 119.574 120.400 -0.082 0.000 2.419 225 D HA 0.103 4.745 4.640 0.003 0.000 0.219 225 D C -0.274 175.971 176.300 -0.092 0.000 1.349 225 D CA -0.630 53.320 54.000 -0.084 0.000 0.964 225 D CB 0.690 41.450 40.800 -0.066 0.000 1.463 225 D HN 0.103 nan 8.370 nan 0.000 0.573 226 N N 1.633 120.267 118.700 -0.110 0.000 2.313 226 N HA 0.217 4.959 4.740 0.003 0.000 0.207 226 N C 1.164 176.626 175.510 -0.080 0.000 1.141 226 N CA 0.632 53.629 53.050 -0.090 0.000 0.830 226 N CB 0.601 39.022 38.487 -0.110 0.000 1.008 226 N HN 0.725 nan 8.380 nan 0.000 0.481 227 G N 0.707 109.430 108.800 -0.129 0.000 2.356 227 G HA2 -0.233 3.729 3.960 0.003 0.000 0.296 227 G HA3 -0.233 3.729 3.960 0.003 0.000 0.296 227 G C 1.015 175.670 174.900 -0.408 0.000 1.022 227 G CA 0.853 45.840 45.100 -0.188 0.000 0.961 227 G HN 0.701 nan 8.290 nan 0.000 0.510 228 G N -2.284 106.290 108.800 -0.377 0.000 2.159 228 G HA2 -0.238 3.724 3.960 0.003 0.000 0.256 228 G HA3 -0.238 3.724 3.960 0.003 0.000 0.256 228 G C 0.245 174.808 174.900 -0.560 0.000 0.977 228 G CA 1.186 46.026 45.100 -0.433 0.000 0.652 228 G HN 1.314 nan 8.290 nan 0.000 0.531 229 H N -1.603 117.279 119.070 -0.314 0.000 2.570 229 H HA 0.734 5.292 4.556 0.003 0.000 0.342 229 H C -0.712 174.283 175.328 -0.555 0.000 1.245 229 H CA -0.604 55.283 56.048 -0.268 0.000 1.318 229 H CB 0.958 30.657 29.762 -0.105 0.000 1.694 229 H HN 0.199 nan 8.280 nan 0.000 0.592 230 Y N -0.402 120.022 120.300 0.207 0.000 2.391 230 Y HA 0.463 5.015 4.550 0.003 0.000 0.341 230 Y C -0.123 175.837 175.900 0.101 0.000 0.965 230 Y CA -1.265 56.928 58.100 0.154 0.000 1.067 230 Y CB 1.564 40.151 38.460 0.211 0.000 1.199 230 Y HN 0.754 nan 8.280 nan 0.000 0.450 231 A N 1.527 124.459 122.820 0.188 0.000 2.511 231 A HA 0.459 4.781 4.320 0.003 0.000 0.242 231 A C 1.038 178.653 177.584 0.051 0.000 1.069 231 A CA 0.484 52.578 52.037 0.096 0.000 0.763 231 A CB 0.101 19.136 19.000 0.057 0.000 1.001 231 A HN 1.047 nan 8.150 nan 0.000 0.498 232 A N 2.142 124.951 122.820 -0.018 0.000 2.030 232 A HA 0.528 4.850 4.320 0.003 0.000 0.215 232 A C 1.261 178.641 177.584 -0.339 0.000 1.164 232 A CA 1.376 53.346 52.037 -0.112 0.000 0.697 232 A CB -0.247 18.733 19.000 -0.034 0.000 0.827 232 A HN 1.827 nan 8.150 nan 0.000 0.457 233 A N -0.633 121.869 122.820 -0.530 0.000 2.386 233 A HA 0.698 5.020 4.320 0.003 0.000 0.308 233 A C -2.933 174.350 177.584 -0.503 0.000 1.128 233 A CA -2.111 49.470 52.037 -0.761 0.000 0.789 233 A CB 0.257 18.354 19.000 -1.505 0.000 1.325 233 A HN 0.031 nan 8.150 nan 0.000 0.437 234 P HA 0.104 nan 4.420 nan 0.000 0.259 234 P C -0.502 176.695 177.300 -0.172 0.000 1.163 234 P CA 0.734 63.531 63.100 -0.504 0.000 0.760 234 P CB 0.130 31.398 31.700 -0.720 0.000 0.762 235 L N 3.132 124.330 121.223 -0.043 0.000 2.642 235 L HA 0.206 4.548 4.340 0.003 0.000 0.229 235 L C 2.000 178.928 176.870 0.096 0.000 1.179 235 L CA -0.837 54.030 54.840 0.046 0.000 0.834 235 L CB -0.222 41.886 42.059 0.082 0.000 1.515 235 L HN 0.242 nan 8.230 nan 0.000 0.512 236 L N 0.627 121.918 121.223 0.114 0.000 1.997 236 L HA -0.265 4.077 4.340 0.003 0.000 0.216 236 L C 1.855 178.845 176.870 0.200 0.000 1.074 236 L CA 2.081 57.004 54.840 0.137 0.000 0.763 236 L CB -0.625 41.494 42.059 0.101 0.000 0.890 236 L HN 0.601 nan 8.230 nan 0.000 0.434 237 D N -0.904 119.664 120.400 0.279 0.000 2.277 237 D HA -0.112 4.530 4.640 0.003 0.000 0.208 237 D C 1.752 178.184 176.300 0.220 0.000 0.962 237 D CA 0.846 55.004 54.000 0.265 0.000 0.865 237 D CB -0.192 40.813 40.800 0.342 0.000 0.939 237 D HN 0.453 nan 8.370 nan 0.000 0.510 238 D N 0.431 120.960 120.400 0.216 0.000 2.117 238 D HA -0.048 4.594 4.640 0.003 0.000 0.198 238 D C 2.299 178.743 176.300 0.240 0.000 0.982 238 D CA 0.344 54.494 54.000 0.250 0.000 0.828 238 D CB 0.028 40.962 40.800 0.223 0.000 0.967 238 D HN 0.269 nan 8.370 nan 0.000 0.464 239 I N 1.494 122.155 120.570 0.152 0.000 2.179 239 I HA -0.263 3.908 4.170 0.003 0.000 0.242 239 I C 2.566 178.727 176.117 0.072 0.000 1.088 239 I CA 1.055 62.411 61.300 0.093 0.000 1.357 239 I CB -0.217 37.823 38.000 0.067 0.000 1.051 239 I HN -0.084 nan 8.210 nan 0.000 0.409 240 A N 0.736 123.612 122.820 0.093 0.000 1.902 240 A HA -0.190 4.132 4.320 0.003 0.000 0.217 240 A C 2.546 180.171 177.584 0.069 0.000 1.181 240 A CA 1.965 54.042 52.037 0.067 0.000 0.623 240 A CB -0.892 18.151 19.000 0.073 0.000 0.818 240 A HN 0.440 nan 8.150 nan 0.000 0.443 241 A N -0.375 122.507 122.820 0.103 0.000 1.851 241 A HA -0.118 4.204 4.320 0.003 0.000 0.216 241 A C 2.119 179.764 177.584 0.101 0.000 1.195 241 A CA 1.826 53.922 52.037 0.099 0.000 0.622 241 A CB -0.656 18.420 19.000 0.126 0.000 0.831 241 A HN 0.574 nan 8.150 nan 0.000 0.444 242 I N -0.113 120.550 120.570 0.154 0.000 2.394 242 I HA -0.220 3.952 4.170 0.003 0.000 0.251 242 I C 2.420 178.593 176.117 0.093 0.000 1.136 242 I CA 1.548 62.944 61.300 0.160 0.000 1.425 242 I CB -0.309 37.897 38.000 0.343 0.000 1.079 242 I HN 0.424 nan 8.210 nan 0.000 0.425 243 Q N -1.096 118.729 119.800 0.042 0.000 2.230 243 Q HA -0.221 4.121 4.340 0.003 0.000 0.202 243 Q C 2.088 178.082 176.000 -0.010 0.000 0.963 243 Q CA 1.221 57.011 55.803 -0.021 0.000 0.866 243 Q CB -0.377 28.292 28.738 -0.115 0.000 0.931 243 Q HN 0.670 nan 8.270 nan 0.000 0.452 244 H N 0.859 119.865 119.070 -0.106 0.000 2.353 244 H HA -0.098 4.460 4.556 0.002 0.000 0.300 244 H C 1.849 177.056 175.328 -0.203 0.000 1.090 244 H CA 1.089 57.031 56.048 -0.177 0.000 1.327 244 H CB 0.179 29.787 29.762 -0.257 0.000 1.383 244 H HN 0.206 nan 8.280 nan 0.000 0.508 245 L N -0.456 120.534 121.223 -0.388 0.000 2.068 245 L HA -0.145 4.197 4.340 0.003 0.000 0.204 245 L C 1.328 177.782 176.870 -0.693 0.000 1.076 245 L CA 1.045 55.517 54.840 -0.614 0.000 0.753 245 L CB -0.267 41.320 42.059 -0.787 0.000 0.910 245 L HN 0.277 nan 8.230 nan 0.000 0.439 246 Y N -0.463 119.827 120.300 -0.017 0.000 2.612 246 Y HA 0.489 5.041 4.550 0.004 0.000 0.250 246 Y C 1.021 176.909 175.900 -0.021 0.000 1.175 246 Y CA -0.246 57.846 58.100 -0.014 0.000 1.205 246 Y CB 0.231 38.680 38.460 -0.018 0.000 1.201 246 Y HN 0.162 nan 8.280 nan 0.000 0.532 247 G N 1.040 109.869 108.800 0.049 0.000 2.733 247 G HA2 0.102 4.064 3.960 0.003 0.000 0.686 247 G HA3 0.102 4.064 3.960 0.003 0.000 0.686 247 G C -0.260 174.639 174.900 -0.001 0.000 1.373 247 G CA -0.779 44.340 45.100 0.032 0.000 0.838 247 G HN 0.606 nan 8.290 nan 0.000 0.588 248 A N 0.993 123.796 122.820 -0.029 0.000 2.401 248 A HA 0.598 4.920 4.320 0.003 0.000 0.259 248 A C 0.714 178.312 177.584 0.023 0.000 1.103 248 A CA 0.156 52.114 52.037 -0.133 0.000 0.789 248 A CB 0.571 19.525 19.000 -0.076 0.000 1.035 248 A HN 1.316 nan 8.150 nan 0.000 0.491 249 N N 2.531 121.234 118.700 0.004 0.000 2.415 249 N HA 0.169 4.911 4.740 0.003 0.000 0.250 249 N C 0.393 176.176 175.510 0.455 0.000 1.127 249 N CA -0.119 53.054 53.050 0.205 0.000 0.945 249 N CB 0.209 38.804 38.487 0.180 0.000 1.196 249 N HN 0.599 nan 8.380 nan 0.000 0.499 250 L N 1.729 123.141 121.223 0.314 0.000 2.599 250 L HA 0.010 4.352 4.340 0.003 0.000 0.230 250 L C 1.510 178.493 176.870 0.189 0.000 1.141 250 L CA 0.295 55.302 54.840 0.278 0.000 0.877 250 L CB -0.248 41.925 42.059 0.190 0.000 1.009 250 L HN 0.496 nan 8.230 nan 0.000 0.447 251 S N -3.215 112.598 115.700 0.188 0.000 2.539 251 S HA 0.081 4.553 4.470 0.003 0.000 0.221 251 S C 0.797 175.475 174.600 0.130 0.000 0.987 251 S CA -0.463 57.813 58.200 0.127 0.000 0.929 251 S CB -0.121 63.140 63.200 0.100 0.000 0.832 251 S HN 0.156 nan 8.310 nan 0.000 0.492 252 T N 3.871 118.545 114.554 0.199 0.000 2.761 252 T HA 0.369 4.721 4.350 0.003 0.000 0.296 252 T C 0.096 174.838 174.700 0.070 0.000 0.934 252 T CA -0.345 61.865 62.100 0.184 0.000 1.091 252 T CB 0.237 69.327 68.868 0.370 0.000 0.896 252 T HN 0.418 nan 8.240 nan 0.000 0.515 253 R N 1.339 121.866 120.500 0.044 0.000 3.251 253 R HA -0.182 4.160 4.340 0.003 0.000 0.249 253 R C 1.336 177.622 176.300 -0.023 0.000 0.949 253 R CA 0.739 56.836 56.100 -0.004 0.000 0.645 253 R CB -2.144 28.153 30.300 -0.005 0.000 1.065 253 R HN 0.922 nan 8.270 nan 0.000 0.452 254 T N -3.489 111.058 114.554 -0.012 0.000 3.085 254 T HA 0.062 4.414 4.350 0.003 0.000 0.263 254 T C 1.288 175.975 174.700 -0.021 0.000 1.127 254 T CA 0.495 62.584 62.100 -0.019 0.000 1.103 254 T CB 0.389 69.257 68.868 0.001 0.000 0.921 254 T HN 0.493 nan 8.240 nan 0.000 0.510 255 G N 0.694 109.479 108.800 -0.025 0.000 2.525 255 G HA2 0.429 4.391 3.960 0.003 0.000 0.287 255 G HA3 0.429 4.391 3.960 0.003 0.000 0.287 255 G C -1.028 173.852 174.900 -0.033 0.000 1.350 255 G CA -0.767 44.316 45.100 -0.028 0.000 1.039 255 G HN 0.208 nan 8.290 nan 0.000 0.513 256 D N 0.763 121.142 120.400 -0.034 0.000 2.338 256 D HA 0.349 4.991 4.640 0.003 0.000 0.255 256 D C 0.116 176.383 176.300 -0.055 0.000 1.237 256 D CA 0.549 54.530 54.000 -0.032 0.000 0.883 256 D CB 0.809 41.592 40.800 -0.028 0.000 1.087 256 D HN 0.115 nan 8.370 nan 0.000 0.485 257 T N 1.044 115.567 114.554 -0.051 0.000 2.823 257 T HA 0.475 4.827 4.350 0.003 0.000 0.279 257 T C 0.149 174.770 174.700 -0.131 0.000 0.998 257 T CA -0.761 61.252 62.100 -0.146 0.000 0.994 257 T CB 1.737 70.475 68.868 -0.216 0.000 0.960 257 T HN -0.047 nan 8.240 nan 0.000 0.448 258 V N 3.487 123.263 119.914 -0.231 0.000 2.417 258 V HA 0.454 4.576 4.120 0.003 0.000 0.291 258 V C -1.159 174.765 176.094 -0.283 0.000 1.024 258 V CA -0.887 61.337 62.300 -0.125 0.000 0.861 258 V CB 0.678 32.450 31.823 -0.086 0.000 0.985 258 V HN 0.798 nan 8.190 nan 0.000 0.436 259 Y N 2.560 122.857 120.300 -0.004 0.000 2.446 259 Y HA 0.793 5.344 4.550 0.003 0.000 0.338 259 Y C 1.010 176.869 175.900 -0.068 0.000 1.055 259 Y CA 0.802 58.861 58.100 -0.067 0.000 1.101 259 Y CB 1.979 40.451 38.460 0.021 0.000 1.221 259 Y HN 0.938 nan 8.280 nan 0.000 0.460 260 G N 1.462 110.333 108.800 0.118 0.000 2.669 260 G HA2 -0.255 3.706 3.960 0.003 0.000 0.250 260 G HA3 -0.255 3.706 3.960 0.003 0.000 0.250 260 G C -0.669 174.171 174.900 -0.099 0.000 1.247 260 G CA -0.639 44.560 45.100 0.165 0.000 0.958 260 G HN 0.423 nan 8.290 nan 0.000 0.559 261 F N 2.888 122.843 119.950 0.008 0.000 2.410 261 F HA 0.452 4.981 4.527 0.003 0.000 0.334 261 F C 1.611 177.369 175.800 -0.070 0.000 1.134 261 F CA 0.722 58.686 58.000 -0.060 0.000 1.227 261 F CB 0.588 39.533 39.000 -0.092 0.000 1.194 261 F HN 0.542 nan 8.300 nan 0.000 0.571 262 N N 0.147 118.902 118.700 0.092 0.000 2.708 262 N HA -0.230 4.512 4.740 0.003 0.000 0.249 262 N C -0.190 175.293 175.510 -0.045 0.000 1.097 262 N CA 0.695 53.755 53.050 0.017 0.000 0.710 262 N CB -1.296 37.206 38.487 0.024 0.000 1.032 262 N HN 0.450 nan 8.380 nan 0.000 0.551 263 S N 0.934 116.581 115.700 -0.088 0.000 2.576 263 S HA 0.227 4.698 4.470 0.003 0.000 0.276 263 S C 1.204 175.705 174.600 -0.165 0.000 1.339 263 S CA -0.243 57.862 58.200 -0.157 0.000 1.039 263 S CB 0.512 63.588 63.200 -0.208 0.000 0.902 263 S HN 0.453 nan 8.310 nan 0.000 0.516 264 N N 1.780 120.357 118.700 -0.205 0.000 2.291 264 N HA 0.025 4.767 4.740 0.003 0.000 0.244 264 N C 0.944 176.324 175.510 -0.217 0.000 1.216 264 N CA 0.317 53.262 53.050 -0.175 0.000 0.879 264 N CB -0.409 37.994 38.487 -0.140 0.000 1.167 264 N HN 0.600 nan 8.380 nan 0.000 0.515 265 T N -3.530 110.847 114.554 -0.295 0.000 2.904 265 T HA 0.136 4.487 4.350 0.003 0.000 0.267 265 T C 1.591 176.151 174.700 -0.234 0.000 1.059 265 T CA 1.092 62.998 62.100 -0.323 0.000 1.137 265 T CB -0.788 67.809 68.868 -0.451 0.000 0.879 265 T HN 0.429 nan 8.240 nan 0.000 0.467 266 G N 1.773 110.447 108.800 -0.210 0.000 2.160 266 G HA2 -0.211 3.751 3.960 0.003 0.000 0.251 266 G HA3 -0.211 3.751 3.960 0.003 0.000 0.251 266 G C -0.057 174.725 174.900 -0.197 0.000 1.008 266 G CA -0.136 44.868 45.100 -0.160 0.000 0.724 266 G HN 0.655 nan 8.290 nan 0.000 0.514 267 R N 0.169 120.480 120.500 -0.315 0.000 2.513 267 R HA 0.333 4.675 4.340 0.003 0.000 0.301 267 R C 0.970 176.964 176.300 -0.510 0.000 0.968 267 R CA -0.219 55.584 56.100 -0.495 0.000 0.872 267 R CB 1.399 31.190 30.300 -0.848 0.000 1.177 267 R HN 0.328 nan 8.270 nan 0.000 0.444 268 D N 2.817 123.008 120.400 -0.347 0.000 2.144 268 D HA -0.195 4.447 4.640 0.003 0.000 0.199 268 D C 1.315 177.516 176.300 -0.164 0.000 0.984 268 D CA 1.399 55.290 54.000 -0.182 0.000 0.834 268 D CB -0.263 40.519 40.800 -0.030 0.000 0.955 268 D HN 0.568 nan 8.370 nan 0.000 0.465 269 F N -0.470 119.461 119.950 -0.032 0.000 2.802 269 F HA 0.315 4.844 4.527 0.003 0.000 0.300 269 F C 1.701 177.496 175.800 -0.008 0.000 1.168 269 F CA -0.086 57.917 58.000 0.005 0.000 1.433 269 F CB -0.425 38.590 39.000 0.025 0.000 1.115 269 F HN -0.120 nan 8.300 nan 0.000 0.582 270 L N -0.304 120.611 121.223 -0.513 0.000 2.766 270 L HA 0.323 4.665 4.340 0.003 0.000 0.242 270 L C -0.004 176.689 176.870 -0.295 0.000 1.136 270 L CA -0.081 54.445 54.840 -0.522 0.000 0.933 270 L CB 0.026 41.709 42.059 -0.626 0.000 1.241 270 L HN -0.004 nan 8.230 nan 0.000 0.522 271 S N -0.876 114.692 115.700 -0.220 0.000 2.568 271 S HA 0.670 5.142 4.470 0.003 0.000 0.293 271 S C -0.361 174.129 174.600 -0.183 0.000 1.089 271 S CA -0.495 57.589 58.200 -0.193 0.000 0.945 271 S CB 2.802 65.875 63.200 -0.211 0.000 1.077 271 S HN 0.053 nan 8.310 nan 0.000 0.485 272 T N -0.017 114.352 114.554 -0.309 0.000 2.923 272 T HA 0.566 4.918 4.350 0.003 0.000 0.311 272 T C 0.147 174.542 174.700 -0.508 0.000 1.183 272 T CA -0.322 61.525 62.100 -0.421 0.000 1.020 272 T CB 1.403 69.919 68.868 -0.587 0.000 1.165 272 T HN 0.710 nan 8.240 nan 0.000 0.482 273 T N -0.277 114.110 114.554 -0.278 0.000 3.040 273 T HA 0.469 4.821 4.350 0.003 0.000 0.266 273 T C 0.438 175.181 174.700 0.072 0.000 1.005 273 T CA 0.342 62.391 62.100 -0.085 0.000 0.906 273 T CB -0.220 68.626 68.868 -0.036 0.000 1.082 273 T HN 0.946 nan 8.240 nan 0.000 0.531 274 S N 0.113 115.844 115.700 0.052 0.000 2.588 274 S HA 0.438 4.910 4.470 0.003 0.000 0.269 274 S C 0.231 174.980 174.600 0.248 0.000 1.157 274 S CA -0.637 57.684 58.200 0.201 0.000 0.824 274 S CB 1.295 64.558 63.200 0.104 0.000 1.126 274 S HN -0.036 nan 8.310 nan 0.000 0.464 275 N N 1.235 120.102 118.700 0.278 0.000 2.289 275 N HA -0.075 4.666 4.740 0.003 0.000 0.184 275 N C 1.470 177.197 175.510 0.361 0.000 1.016 275 N CA 2.032 55.310 53.050 0.380 0.000 0.872 275 N CB -0.302 38.334 38.487 0.247 0.000 0.973 275 N HN 0.535 nan 8.380 nan 0.000 0.433 276 S N -0.699 115.127 115.700 0.209 0.000 2.436 276 S HA -0.062 4.410 4.470 0.003 0.000 0.228 276 S C 0.636 175.310 174.600 0.123 0.000 1.014 276 S CA 0.113 58.402 58.200 0.148 0.000 0.950 276 S CB -0.107 63.151 63.200 0.097 0.000 0.784 276 S HN 0.489 nan 8.310 nan 0.000 0.504 277 Q N 2.262 122.128 119.800 0.110 0.000 2.344 277 Q HA 0.090 4.432 4.340 0.003 0.000 0.253 277 Q C -1.001 175.043 176.000 0.074 0.000 1.050 277 Q CA -0.264 55.556 55.803 0.029 0.000 0.912 277 Q CB 0.313 29.039 28.738 -0.021 0.000 1.258 277 Q HN -0.016 nan 8.270 nan 0.000 0.443 278 K N 2.749 123.113 120.400 -0.059 0.000 2.174 278 K HA 0.274 4.596 4.320 0.003 0.000 0.275 278 K C -0.272 176.276 176.600 -0.087 0.000 1.015 278 K CA -0.439 55.795 56.287 -0.089 0.000 0.933 278 K CB 1.354 33.719 32.500 -0.224 0.000 1.025 278 K HN 0.519 nan 8.250 nan 0.000 0.463 279 V N 0.058 119.964 119.914 -0.013 0.000 2.532 279 V HA 0.657 4.779 4.120 0.003 0.000 0.295 279 V C -0.005 176.056 176.094 -0.055 0.000 1.041 279 V CA -0.842 61.498 62.300 0.066 0.000 0.926 279 V CB 0.976 32.962 31.823 0.272 0.000 0.992 279 V HN 0.616 nan 8.190 nan 0.000 0.457 280 I N 6.091 126.694 120.570 0.055 0.000 2.529 280 I HA 0.722 4.893 4.170 0.003 0.000 0.284 280 I C -0.923 175.283 176.117 0.148 0.000 1.088 280 I CA -0.183 61.097 61.300 -0.033 0.000 1.062 280 I CB 1.622 39.621 38.000 -0.002 0.000 1.218 280 I HN 0.896 nan 8.210 nan 0.000 0.442 281 F N 4.295 124.261 119.950 0.027 0.000 2.744 281 F HA 0.886 5.415 4.527 0.003 0.000 0.311 281 F C -1.479 174.340 175.800 0.032 0.000 1.144 281 F CA -1.250 56.794 58.000 0.073 0.000 0.938 281 F CB 1.130 40.253 39.000 0.204 0.000 1.292 281 F HN 0.335 nan 8.300 nan 0.000 0.444 282 A N 1.662 124.704 122.820 0.370 0.000 2.304 282 A HA 0.870 5.192 4.320 0.003 0.000 0.314 282 A C -0.530 177.301 177.584 0.412 0.000 1.187 282 A CA -0.362 51.824 52.037 0.247 0.000 0.810 282 A CB 0.500 19.571 19.000 0.118 0.000 1.183 282 A HN 1.721 nan 8.150 nan 0.000 0.487 283 A N 3.220 126.295 122.820 0.425 0.000 2.362 283 A HA 0.517 4.838 4.320 0.003 0.000 0.276 283 A C -0.355 177.386 177.584 0.262 0.000 1.153 283 A CA -0.288 51.921 52.037 0.287 0.000 0.813 283 A CB 0.159 19.242 19.000 0.140 0.000 1.081 283 A HN 1.070 nan 8.150 nan 0.000 0.507 284 W N 3.955 125.338 121.300 0.138 0.000 2.532 284 W HA 0.527 5.189 4.660 0.003 0.000 0.321 284 W C -1.688 174.926 176.519 0.158 0.000 1.037 284 W CA -0.389 57.033 57.345 0.128 0.000 1.220 284 W CB 1.479 31.019 29.460 0.134 0.000 1.361 284 W HN 0.707 nan 8.180 nan 0.000 0.468 285 D N 3.918 123.802 120.400 -0.860 0.000 2.966 285 D HA 0.332 4.974 4.640 0.003 0.000 0.222 285 D C -0.219 175.632 176.300 -0.748 0.000 1.292 285 D CA -0.184 53.497 54.000 -0.531 0.000 0.907 285 D CB 2.332 43.048 40.800 -0.139 0.000 1.621 285 D HN 0.443 nan 8.370 nan 0.000 0.557 286 A N 2.058 124.578 122.820 -0.500 0.000 2.275 286 A HA 0.597 4.919 4.320 0.003 0.000 0.212 286 A C 0.898 178.391 177.584 -0.153 0.000 1.201 286 A CA 0.858 52.704 52.037 -0.319 0.000 0.843 286 A CB 0.103 19.057 19.000 -0.076 0.000 0.873 286 A HN 0.677 nan 8.150 nan 0.000 0.492 287 G N -3.352 105.370 108.800 -0.130 0.000 2.316 287 G HA2 0.593 4.554 3.960 0.003 0.000 0.296 287 G HA3 0.593 4.554 3.960 0.003 0.000 0.296 287 G C -0.037 174.832 174.900 -0.050 0.000 1.399 287 G CA 0.183 45.239 45.100 -0.072 0.000 0.833 287 G HN 1.973 nan 8.290 nan 0.000 0.565 288 G N -0.487 108.292 108.800 -0.035 0.000 2.655 288 G HA2 0.119 4.081 3.960 0.003 0.000 0.680 288 G HA3 0.119 4.081 3.960 0.003 0.000 0.680 288 G C -0.841 174.046 174.900 -0.022 0.000 1.302 288 G CA -0.210 44.875 45.100 -0.025 0.000 0.872 288 G HN 1.189 nan 8.290 nan 0.000 0.540 289 N N 1.980 120.671 118.700 -0.015 0.000 2.457 289 N HA 0.409 5.151 4.740 0.003 0.000 0.250 289 N C -0.934 174.575 175.510 -0.002 0.000 0.982 289 N CA -0.274 52.769 53.050 -0.011 0.000 0.941 289 N CB 1.188 39.670 38.487 -0.007 0.000 1.120 289 N HN 0.534 nan 8.380 nan 0.000 0.505 290 D N 0.861 121.262 120.400 0.002 0.000 2.269 290 D HA 0.456 5.098 4.640 0.003 0.000 0.244 290 D C -0.175 176.148 176.300 0.038 0.000 0.992 290 D CA -0.069 53.960 54.000 0.048 0.000 0.894 290 D CB 1.968 42.827 40.800 0.097 0.000 1.248 290 D HN 0.190 nan 8.370 nan 0.000 0.468 291 T N 0.849 115.474 114.554 0.119 0.000 2.881 291 T HA 0.312 4.663 4.350 0.003 0.000 0.290 291 T C -0.669 174.203 174.700 0.286 0.000 1.000 291 T CA -0.550 61.617 62.100 0.112 0.000 0.978 291 T CB 0.850 69.751 68.868 0.054 0.000 0.997 291 T HN 0.084 nan 8.240 nan 0.000 0.443 292 F N 3.240 123.139 119.950 -0.084 0.000 2.335 292 F HA 0.315 4.843 4.527 0.003 0.000 0.365 292 F C 0.529 175.979 175.800 -0.583 0.000 1.122 292 F CA -1.740 56.039 58.000 -0.368 0.000 1.151 292 F CB 0.481 39.285 39.000 -0.327 0.000 1.282 292 F HN 0.468 nan 8.300 nan 0.000 0.513 293 D N 4.084 124.279 120.400 -0.342 0.000 2.428 293 D HA 0.172 4.814 4.640 0.003 0.000 0.221 293 D C -0.509 175.751 176.300 -0.066 0.000 1.123 293 D CA -0.151 53.751 54.000 -0.163 0.000 0.869 293 D CB 0.177 40.981 40.800 0.008 0.000 1.032 293 D HN 0.128 nan 8.370 nan 0.000 0.506 294 F N 1.538 121.663 119.950 0.293 0.000 2.855 294 F HA 0.096 4.625 4.527 0.003 0.000 0.317 294 F C 2.152 178.006 175.800 0.089 0.000 1.169 294 F CA -0.562 57.664 58.000 0.377 0.000 1.299 294 F CB -0.193 39.051 39.000 0.407 0.000 0.962 294 F HN 0.268 nan 8.300 nan 0.000 0.506 295 S N -0.811 114.882 115.700 -0.011 0.000 2.419 295 S HA -0.092 4.380 4.470 0.003 0.000 0.233 295 S C 2.171 176.472 174.600 -0.500 0.000 1.016 295 S CA 1.226 59.302 58.200 -0.206 0.000 0.974 295 S CB -0.642 62.442 63.200 -0.192 0.000 0.786 295 S HN 0.399 nan 8.310 nan 0.000 0.492 296 G N -0.540 107.452 108.800 -1.346 0.000 2.920 296 G HA2 0.213 4.175 3.960 0.003 0.000 0.208 296 G HA3 0.213 4.175 3.960 0.003 0.000 0.208 296 G C -0.188 174.321 174.900 -0.651 0.000 1.159 296 G CA -0.239 43.989 45.100 -1.453 0.000 0.784 296 G HN 0.455 nan 8.290 nan 0.000 0.535 297 Y N 0.528 120.731 120.300 -0.162 0.000 2.310 297 Y HA 0.340 4.892 4.550 0.003 0.000 0.326 297 Y C 1.832 177.733 175.900 0.002 0.000 1.151 297 Y CA -0.480 57.655 58.100 0.058 0.000 1.195 297 Y CB 1.771 40.322 38.460 0.151 0.000 1.210 297 Y HN 0.058 nan 8.280 nan 0.000 0.483 298 T N -1.591 113.085 114.554 0.204 0.000 3.037 298 T HA 0.433 4.785 4.350 0.003 0.000 0.251 298 T C 0.849 175.589 174.700 0.067 0.000 1.079 298 T CA 0.212 62.369 62.100 0.095 0.000 1.067 298 T CB -0.146 68.762 68.868 0.067 0.000 0.948 298 T HN 0.588 nan 8.240 nan 0.000 0.496 299 A N 2.251 125.108 122.820 0.062 0.000 2.346 299 A HA 0.488 4.810 4.320 0.003 0.000 0.252 299 A C 0.159 177.748 177.584 0.008 0.000 1.089 299 A CA -0.660 51.382 52.037 0.007 0.000 0.797 299 A CB -0.057 18.915 19.000 -0.047 0.000 1.047 299 A HN 0.409 nan 8.150 nan 0.000 0.494 300 N N 1.376 120.069 118.700 -0.012 0.000 2.475 300 N HA 0.251 4.993 4.740 0.003 0.000 0.267 300 N C -0.377 175.118 175.510 -0.026 0.000 1.169 300 N CA 0.338 53.380 53.050 -0.013 0.000 0.947 300 N CB 0.740 39.212 38.487 -0.025 0.000 1.061 300 N HN 0.614 nan 8.380 nan 0.000 0.466 301 Q N 1.573 121.372 119.800 -0.002 0.000 2.351 301 Q HA 0.561 4.903 4.340 0.003 0.000 0.273 301 Q C -0.394 175.608 176.000 0.003 0.000 1.077 301 Q CA -0.800 54.998 55.803 -0.009 0.000 0.843 301 Q CB 2.535 31.295 28.738 0.037 0.000 1.367 301 Q HN 0.272 nan 8.270 nan 0.000 0.449 302 R N 1.529 122.026 120.500 -0.005 0.000 2.473 302 R HA 0.505 4.847 4.340 0.003 0.000 0.303 302 R C -1.054 175.291 176.300 0.076 0.000 1.002 302 R CA -0.361 55.741 56.100 0.003 0.000 0.884 302 R CB 1.042 31.293 30.300 -0.082 0.000 1.173 302 R HN 0.541 nan 8.270 nan 0.000 0.464 303 I N 2.384 123.037 120.570 0.138 0.000 2.382 303 I HA 0.249 4.421 4.170 0.003 0.000 0.286 303 I C -0.312 175.925 176.117 0.201 0.000 1.002 303 I CA -0.820 60.622 61.300 0.237 0.000 1.135 303 I CB 1.633 39.846 38.000 0.355 0.000 1.288 303 I HN 0.340 nan 8.210 nan 0.000 0.448 304 N N 6.951 125.776 118.700 0.208 0.000 2.417 304 N HA 0.384 5.126 4.740 0.003 0.000 0.274 304 N C -0.044 175.548 175.510 0.137 0.000 0.987 304 N CA -0.445 52.699 53.050 0.156 0.000 0.912 304 N CB 1.731 40.309 38.487 0.152 0.000 1.177 304 N HN 0.606 nan 8.380 nan 0.000 0.490 305 L N 1.731 123.002 121.223 0.079 0.000 2.629 305 L HA 0.219 4.561 4.340 0.003 0.000 0.230 305 L C 0.420 177.277 176.870 -0.022 0.000 1.151 305 L CA -0.040 54.786 54.840 -0.023 0.000 0.924 305 L CB -0.330 41.694 42.059 -0.058 0.000 1.137 305 L HN 0.383 nan 8.230 nan 0.000 0.457 306 N N 1.857 120.575 118.700 0.029 0.000 2.529 306 N HA 0.064 4.806 4.740 0.003 0.000 0.278 306 N C -0.019 175.501 175.510 0.015 0.000 1.146 306 N CA -0.108 52.959 53.050 0.028 0.000 0.980 306 N CB 1.077 39.595 38.487 0.051 0.000 1.124 306 N HN 0.288 nan 8.380 nan 0.000 0.458 307 E N 0.947 121.154 120.200 0.013 0.000 2.415 307 E HA 0.015 4.367 4.350 0.003 0.000 0.262 307 E C -0.367 176.252 176.600 0.031 0.000 1.038 307 E CA -0.161 56.250 56.400 0.018 0.000 0.921 307 E CB 0.561 30.280 29.700 0.031 0.000 0.950 307 E HN 0.456 nan 8.360 nan 0.000 0.438 308 K N -0.504 119.906 120.400 0.016 0.000 3.407 308 K HA -0.211 4.111 4.320 0.003 0.000 0.312 308 K C -0.331 176.251 176.600 -0.030 0.000 1.302 308 K CA 1.060 57.352 56.287 0.007 0.000 0.931 308 K CB -1.893 30.652 32.500 0.075 0.000 1.257 308 K HN 0.768 nan 8.250 nan 0.000 0.454 309 S N -0.230 115.444 115.700 -0.043 0.000 2.651 309 S HA 0.725 5.197 4.470 0.003 0.000 0.291 309 S C -0.152 174.373 174.600 -0.126 0.000 1.141 309 S CA -0.940 57.274 58.200 0.024 0.000 1.027 309 S CB 1.115 64.378 63.200 0.104 0.000 1.043 309 S HN 0.149 nan 8.310 nan 0.000 0.530 310 F N 0.980 120.995 119.950 0.108 0.000 2.425 310 F HA 0.616 5.145 4.527 0.003 0.000 0.331 310 F C 0.845 176.780 175.800 0.226 0.000 1.085 310 F CA -0.268 57.777 58.000 0.075 0.000 1.028 310 F CB 2.177 41.113 39.000 -0.107 0.000 1.177 310 F HN 0.610 nan 8.300 nan 0.000 0.487 311 S N 0.746 116.629 115.700 0.306 0.000 2.600 311 S HA 0.435 4.907 4.470 0.003 0.000 0.300 311 S C -1.597 173.087 174.600 0.139 0.000 1.087 311 S CA -0.936 57.392 58.200 0.214 0.000 0.965 311 S CB 1.558 64.841 63.200 0.137 0.000 1.089 311 S HN 0.365 nan 8.310 nan 0.000 0.496 312 D N 1.981 122.417 120.400 0.059 0.000 2.427 312 D HA 0.490 5.131 4.640 0.003 0.000 0.226 312 D C -0.926 175.281 176.300 -0.155 0.000 1.076 312 D CA -0.054 53.928 54.000 -0.029 0.000 0.849 312 D CB 1.402 42.185 40.800 -0.029 0.000 1.052 312 D HN 0.108 nan 8.370 nan 0.000 0.515 313 V N 0.645 120.382 119.914 -0.295 0.000 2.735 313 V HA 0.602 4.724 4.120 0.003 0.000 0.310 313 V C 1.131 176.861 176.094 -0.607 0.000 1.061 313 V CA -0.613 61.386 62.300 -0.502 0.000 0.913 313 V CB 1.846 33.139 31.823 -0.884 0.000 1.005 313 V HN 0.796 nan 8.190 nan 0.000 0.428 314 G N 2.889 111.208 108.800 -0.801 0.000 2.203 314 G HA2 0.035 3.997 3.960 0.003 0.000 0.263 314 G HA3 0.035 3.997 3.960 0.003 0.000 0.263 314 G C 1.162 175.729 174.900 -0.554 0.000 1.012 314 G CA 0.933 45.285 45.100 -1.245 0.000 0.749 314 G HN 2.406 nan 8.290 nan 0.000 0.512 315 G N -2.897 105.712 108.800 -0.317 0.000 2.176 315 G HA2 -0.033 3.929 3.960 0.003 0.000 0.232 315 G HA3 -0.033 3.929 3.960 0.003 0.000 0.232 315 G C 0.248 175.060 174.900 -0.147 0.000 0.986 315 G CA 0.652 45.646 45.100 -0.177 0.000 0.643 315 G HN 1.207 nan 8.290 nan 0.000 0.522 316 L N -0.029 121.083 121.223 -0.185 0.000 2.376 316 L HA 0.778 5.120 4.340 0.003 0.000 0.267 316 L C 0.533 177.340 176.870 -0.104 0.000 1.035 316 L CA -0.631 54.129 54.840 -0.133 0.000 0.800 316 L CB 1.163 43.133 42.059 -0.147 0.000 1.290 316 L HN 0.105 nan 8.230 nan 0.000 0.462 317 K N -0.069 120.292 120.400 -0.064 0.000 2.376 317 K HA 0.536 4.858 4.320 0.003 0.000 0.257 317 K C 0.109 176.713 176.600 0.007 0.000 0.939 317 K CA -0.215 56.076 56.287 0.005 0.000 0.809 317 K CB 1.516 34.038 32.500 0.036 0.000 1.121 317 K HN 0.745 nan 8.250 nan 0.000 0.425 318 G N 2.780 111.639 108.800 0.099 0.000 2.305 318 G HA2 -0.288 3.674 3.960 0.003 0.000 0.287 318 G HA3 -0.288 3.674 3.960 0.003 0.000 0.287 318 G C 0.377 175.275 174.900 -0.002 0.000 1.036 318 G CA 0.705 45.826 45.100 0.034 0.000 0.887 318 G HN 0.853 nan 8.290 nan 0.000 0.505 319 N N -1.307 117.365 118.700 -0.047 0.000 2.373 319 N HA 0.122 4.864 4.740 0.003 0.000 0.181 319 N C 0.333 175.700 175.510 -0.238 0.000 1.082 319 N CA 0.586 53.558 53.050 -0.130 0.000 0.885 319 N CB 0.733 39.113 38.487 -0.178 0.000 0.977 319 N HN 0.382 nan 8.380 nan 0.000 0.462 320 V N 1.207 120.964 119.914 -0.261 0.000 2.656 320 V HA 0.547 4.669 4.120 0.003 0.000 0.307 320 V C -0.441 175.480 176.094 -0.287 0.000 1.051 320 V CA -0.634 61.367 62.300 -0.499 0.000 0.893 320 V CB 1.815 33.208 31.823 -0.716 0.000 0.999 320 V HN 0.470 nan 8.190 nan 0.000 0.426 321 S N 4.609 120.130 115.700 -0.298 0.000 2.651 321 S HA 0.808 5.280 4.470 0.003 0.000 0.279 321 S C -1.151 173.425 174.600 -0.040 0.000 1.148 321 S CA -0.856 57.139 58.200 -0.341 0.000 0.837 321 S CB 2.049 64.734 63.200 -0.859 0.000 1.138 321 S HN 0.441 nan 8.310 nan 0.000 0.478 322 I N 1.390 121.934 120.570 -0.044 0.000 2.436 322 I HA 0.611 4.783 4.170 0.003 0.000 0.289 322 I C 0.551 176.696 176.117 0.045 0.000 1.010 322 I CA -0.955 60.382 61.300 0.060 0.000 1.098 322 I CB 1.756 39.770 38.000 0.023 0.000 1.266 322 I HN 0.968 nan 8.210 nan 0.000 0.434 323 A N 4.576 127.480 122.820 0.141 0.000 2.406 323 A HA 0.633 4.955 4.320 0.003 0.000 0.243 323 A C 0.527 178.228 177.584 0.195 0.000 1.082 323 A CA -0.212 51.953 52.037 0.213 0.000 0.786 323 A CB 0.289 19.548 19.000 0.433 0.000 1.029 323 A HN 0.853 nan 8.150 nan 0.000 0.495 324 A N -0.001 122.938 122.820 0.198 0.000 2.511 324 A HA 0.486 4.808 4.320 0.003 0.000 0.242 324 A C 1.556 179.279 177.584 0.233 0.000 1.069 324 A CA 0.735 52.873 52.037 0.169 0.000 0.763 324 A CB -0.810 18.275 19.000 0.142 0.000 1.001 324 A HN 2.761 nan 8.150 nan 0.000 0.498 325 G N 0.698 109.589 108.800 0.151 0.000 2.159 325 G HA2 -0.133 3.829 3.960 0.003 0.000 0.256 325 G HA3 -0.133 3.829 3.960 0.003 0.000 0.256 325 G C 0.083 175.008 174.900 0.042 0.000 0.977 325 G CA 0.193 45.375 45.100 0.136 0.000 0.652 325 G HN 1.441 nan 8.290 nan 0.000 0.531 326 V N 0.972 120.886 119.914 -0.000 0.000 2.483 326 V HA 0.692 4.814 4.120 0.003 0.000 0.295 326 V C 0.335 176.367 176.094 -0.102 0.000 1.035 326 V CA -0.112 62.110 62.300 -0.130 0.000 0.896 326 V CB 1.908 33.638 31.823 -0.154 0.000 0.986 326 V HN 0.251 nan 8.190 nan 0.000 0.447 327 T N 6.217 120.696 114.554 -0.124 0.000 2.788 327 T HA 0.539 4.891 4.350 0.003 0.000 0.296 327 T C -0.383 174.230 174.700 -0.145 0.000 1.009 327 T CA -0.251 61.785 62.100 -0.106 0.000 0.949 327 T CB 0.495 69.322 68.868 -0.068 0.000 0.946 327 T HN 0.261 nan 8.240 nan 0.000 0.453 328 I N 3.562 124.010 120.570 -0.203 0.000 2.359 328 I HA 0.357 4.529 4.170 0.003 0.000 0.294 328 I C 0.911 176.908 176.117 -0.200 0.000 0.987 328 I CA -0.624 60.504 61.300 -0.288 0.000 1.225 328 I CB 1.706 39.324 38.000 -0.638 0.000 1.366 328 I HN 0.613 nan 8.210 nan 0.000 0.466 329 E N 3.522 123.643 120.200 -0.132 0.000 2.127 329 E HA 0.081 4.433 4.350 0.003 0.000 0.191 329 E C -0.166 176.409 176.600 -0.041 0.000 0.964 329 E CA 0.848 57.208 56.400 -0.066 0.000 0.832 329 E CB 0.271 29.952 29.700 -0.031 0.000 0.790 329 E HN 0.532 nan 8.360 nan 0.000 0.465 330 N N -0.273 118.401 118.700 -0.044 0.000 2.328 330 N HA 0.664 5.405 4.740 0.003 0.000 0.299 330 N C -1.193 174.325 175.510 0.013 0.000 1.179 330 N CA -0.578 52.475 53.050 0.006 0.000 0.793 330 N CB 2.161 40.662 38.487 0.024 0.000 1.366 330 N HN 0.026 nan 8.380 nan 0.000 0.493 331 A N 0.828 123.686 122.820 0.063 0.000 2.455 331 A HA 0.734 5.055 4.320 0.003 0.000 0.300 331 A C -1.172 176.475 177.584 0.104 0.000 1.040 331 A CA -0.588 51.512 52.037 0.105 0.000 0.697 331 A CB 0.918 20.013 19.000 0.158 0.000 1.265 331 A HN 0.589 nan 8.150 nan 0.000 0.407 332 I N 2.387 123.010 120.570 0.088 0.000 2.439 332 I HA 0.494 4.666 4.170 0.003 0.000 0.285 332 I C 0.893 177.096 176.117 0.143 0.000 1.021 332 I CA -0.560 60.788 61.300 0.081 0.000 1.091 332 I CB 2.048 40.060 38.000 0.020 0.000 1.242 332 I HN 0.781 nan 8.210 nan 0.000 0.439 333 G N 3.525 112.413 108.800 0.146 0.000 2.588 333 G HA2 0.603 4.564 3.960 0.003 0.000 0.281 333 G HA3 0.603 4.564 3.960 0.003 0.000 0.281 333 G C 0.180 175.154 174.900 0.123 0.000 1.236 333 G CA -0.126 45.079 45.100 0.174 0.000 0.969 333 G HN 0.703 nan 8.290 nan 0.000 0.504 334 G N -1.523 107.353 108.800 0.127 0.000 2.857 334 G HA2 0.402 4.364 3.960 0.003 0.000 0.217 334 G HA3 0.402 4.364 3.960 0.003 0.000 0.217 334 G C 1.252 176.173 174.900 0.036 0.000 1.357 334 G CA 0.705 45.843 45.100 0.063 0.000 1.033 334 G HN 1.052 nan 8.290 nan 0.000 0.571 335 S N -1.044 114.668 115.700 0.019 0.000 2.607 335 S HA 0.232 4.704 4.470 0.003 0.000 0.224 335 S C 1.244 175.856 174.600 0.019 0.000 0.969 335 S CA 0.363 58.569 58.200 0.011 0.000 0.927 335 S CB -0.182 63.016 63.200 -0.004 0.000 0.772 335 S HN 0.826 nan 8.310 nan 0.000 0.533 336 G N 1.408 110.227 108.800 0.032 0.000 0.000 336 G HA2 0.403 4.365 3.960 0.003 0.000 0.000 336 G HA3 0.403 4.365 3.960 0.003 0.000 0.000 336 G C -0.561 174.348 174.900 0.015 0.000 0.000 336 G CA -0.921 44.192 45.100 0.022 0.000 0.000 336 G HN 0.296 nan 8.290 nan 0.000 0.000 337 N N 1.598 120.300 118.700 0.003 0.000 2.415 337 N HA 0.228 4.970 4.740 0.003 0.000 0.246 337 N C -0.828 174.679 175.510 -0.005 0.000 1.078 337 N CA -0.039 53.008 53.050 -0.006 0.000 0.942 337 N CB 1.192 39.669 38.487 -0.015 0.000 1.140 337 N HN 0.360 nan 8.380 nan 0.000 0.501 338 D N 0.401 120.804 120.400 0.004 0.000 2.326 338 D HA 0.421 5.063 4.640 0.003 0.000 0.248 338 D C -0.121 176.180 176.300 0.002 0.000 1.001 338 D CA -0.458 53.551 54.000 0.016 0.000 0.961 338 D CB 2.169 43.003 40.800 0.056 0.000 1.183 338 D HN -0.020 nan 8.370 nan 0.000 0.502 339 V N 1.593 121.511 119.914 0.007 0.000 2.407 339 V HA 0.403 4.525 4.120 0.003 0.000 0.291 339 V C -0.128 175.991 176.094 0.042 0.000 1.018 339 V CA -0.629 61.669 62.300 -0.003 0.000 0.842 339 V CB 1.326 33.123 31.823 -0.044 0.000 0.996 339 V HN 0.358 nan 8.190 nan 0.000 0.426 340 I N 5.307 125.917 120.570 0.067 0.000 2.410 340 I HA 0.494 4.666 4.170 0.003 0.000 0.286 340 I C -0.705 175.497 176.117 0.141 0.000 1.009 340 I CA -0.778 60.591 61.300 0.115 0.000 1.111 340 I CB 2.073 40.151 38.000 0.130 0.000 1.262 340 I HN 0.253 nan 8.210 nan 0.000 0.443 341 V N 5.611 125.615 119.914 0.150 0.000 2.384 341 V HA 0.562 4.684 4.120 0.003 0.000 0.287 341 V C 0.767 176.978 176.094 0.195 0.000 1.020 341 V CA -0.360 62.069 62.300 0.214 0.000 0.850 341 V CB 1.403 33.301 31.823 0.124 0.000 0.987 341 V HN 0.893 nan 8.190 nan 0.000 0.436 342 G N 4.219 113.145 108.800 0.210 0.000 2.510 342 G HA2 0.505 4.467 3.960 0.003 0.000 0.280 342 G HA3 0.505 4.467 3.960 0.003 0.000 0.280 342 G C -0.291 174.679 174.900 0.117 0.000 1.386 342 G CA -0.461 44.708 45.100 0.115 0.000 1.047 342 G HN 0.807 nan 8.290 nan 0.000 0.527 343 N N -2.846 115.890 118.700 0.061 0.000 3.201 343 N HA 0.516 5.258 4.740 0.003 0.000 0.344 343 N C 0.872 176.406 175.510 0.040 0.000 1.465 343 N CA -0.039 53.046 53.050 0.058 0.000 0.731 343 N CB 0.773 39.277 38.487 0.028 0.000 1.677 343 N HN 0.504 nan 8.380 nan 0.000 0.631 344 A N -1.299 121.544 122.820 0.039 0.000 2.168 344 A HA 0.416 4.738 4.320 0.003 0.000 0.215 344 A C 1.038 178.636 177.584 0.023 0.000 1.152 344 A CA 0.881 52.939 52.037 0.034 0.000 0.716 344 A CB -1.265 17.759 19.000 0.040 0.000 0.794 344 A HN 0.853 nan 8.150 nan 0.000 0.465 345 A N 0.041 122.871 122.820 0.016 0.000 2.259 345 A HA 0.502 4.824 4.320 0.003 0.000 0.278 345 A C -0.148 177.446 177.584 0.018 0.000 1.107 345 A CA -0.688 51.356 52.037 0.013 0.000 0.828 345 A CB 0.025 19.026 19.000 0.001 0.000 1.111 345 A HN 0.329 nan 8.150 nan 0.000 0.498 346 N N 1.255 119.968 118.700 0.022 0.000 2.452 346 N HA 0.219 4.961 4.740 0.003 0.000 0.266 346 N C -0.938 174.594 175.510 0.036 0.000 1.175 346 N CA 0.421 53.492 53.050 0.035 0.000 0.945 346 N CB 0.075 38.586 38.487 0.039 0.000 1.063 346 N HN 0.622 nan 8.380 nan 0.000 0.472 347 N N -0.164 118.566 118.700 0.050 0.000 2.272 347 N HA 0.481 5.223 4.740 0.003 0.000 0.305 347 N C -1.268 174.302 175.510 0.100 0.000 1.103 347 N CA -0.834 52.251 53.050 0.058 0.000 0.791 347 N CB 2.117 40.635 38.487 0.052 0.000 1.356 347 N HN 0.049 nan 8.380 nan 0.000 0.486 348 V N 2.595 122.576 119.914 0.111 0.000 2.328 348 V HA 0.366 4.488 4.120 0.003 0.000 0.278 348 V C -0.554 175.647 176.094 0.178 0.000 1.021 348 V CA -0.533 61.873 62.300 0.177 0.000 0.838 348 V CB 0.358 32.276 31.823 0.159 0.000 0.999 348 V HN 0.473 nan 8.190 nan 0.000 0.447 349 L N 5.921 127.287 121.223 0.238 0.000 2.333 349 L HA 0.633 4.975 4.340 0.003 0.000 0.280 349 L C -0.165 176.882 176.870 0.295 0.000 1.004 349 L CA -0.596 54.375 54.840 0.219 0.000 0.820 349 L CB 1.703 43.877 42.059 0.192 0.000 1.247 349 L HN 0.486 nan 8.230 nan 0.000 0.416 350 K N 1.880 122.408 120.400 0.214 0.000 2.413 350 K HA 0.358 4.680 4.320 0.003 0.000 0.257 350 K C 0.686 177.379 176.600 0.154 0.000 0.946 350 K CA -0.501 55.911 56.287 0.208 0.000 0.823 350 K CB 2.382 34.922 32.500 0.067 0.000 1.109 350 K HN 0.775 nan 8.250 nan 0.000 0.427 351 G N 1.862 110.759 108.800 0.162 0.000 2.494 351 G HA2 0.183 4.145 3.960 0.003 0.000 0.216 351 G HA3 0.183 4.145 3.960 0.003 0.000 0.216 351 G C 0.737 175.681 174.900 0.074 0.000 1.140 351 G CA 0.609 45.768 45.100 0.098 0.000 0.801 351 G HN 0.942 nan 8.290 nan 0.000 0.536 352 G N -0.344 108.500 108.800 0.072 0.000 2.645 352 G HA2 0.254 4.216 3.960 0.003 0.000 0.246 352 G HA3 0.254 4.216 3.960 0.003 0.000 0.246 352 G C 0.491 175.411 174.900 0.034 0.000 1.322 352 G CA -0.035 45.087 45.100 0.037 0.000 0.898 352 G HN 1.389 nan 8.290 nan 0.000 0.573 353 A N -0.665 122.164 122.820 0.016 0.000 2.366 353 A HA 0.867 5.189 4.320 0.003 0.000 0.250 353 A C 1.754 179.345 177.584 0.010 0.000 1.099 353 A CA 2.006 54.050 52.037 0.012 0.000 0.794 353 A CB -0.118 18.883 19.000 0.002 0.000 1.056 353 A HN 3.040 nan 8.150 nan 0.000 0.499 354 G N -0.047 108.756 108.800 0.004 0.000 2.707 354 G HA2 -0.069 3.893 3.960 0.003 0.000 0.686 354 G HA3 -0.069 3.893 3.960 0.003 0.000 0.686 354 G C -0.817 174.076 174.900 -0.011 0.000 1.315 354 G CA -0.355 44.744 45.100 -0.002 0.000 0.832 354 G HN 1.045 nan 8.290 nan 0.000 0.573 355 N N 2.106 120.795 118.700 -0.019 0.000 2.469 355 N HA 0.376 5.117 4.740 0.003 0.000 0.239 355 N C -0.625 174.859 175.510 -0.044 0.000 1.053 355 N CA -0.192 52.837 53.050 -0.035 0.000 0.937 355 N CB 0.971 39.440 38.487 -0.030 0.000 1.163 355 N HN 0.539 nan 8.380 nan 0.000 0.509 356 D N 0.422 120.782 120.400 -0.067 0.000 2.272 356 D HA 0.404 5.046 4.640 0.003 0.000 0.247 356 D C -0.148 176.074 176.300 -0.130 0.000 0.990 356 D CA -0.443 53.512 54.000 -0.075 0.000 0.931 356 D CB 2.423 43.192 40.800 -0.053 0.000 1.195 356 D HN -0.014 nan 8.370 nan 0.000 0.477 357 V N 1.893 121.750 119.914 -0.095 0.000 2.407 357 V HA 0.310 4.432 4.120 0.003 0.000 0.291 357 V C -0.536 175.520 176.094 -0.063 0.000 1.018 357 V CA -0.667 61.575 62.300 -0.097 0.000 0.842 357 V CB 1.372 33.166 31.823 -0.049 0.000 0.996 357 V HN 0.284 nan 8.190 nan 0.000 0.426 358 L N 5.513 126.677 121.223 -0.099 0.000 2.341 358 L HA 0.624 4.966 4.340 0.003 0.000 0.278 358 L C -0.816 176.121 176.870 0.112 0.000 1.005 358 L CA -0.151 54.699 54.840 0.016 0.000 0.818 358 L CB 1.683 43.751 42.059 0.015 0.000 1.259 358 L HN 0.611 nan 8.230 nan 0.000 0.418 359 F N 1.261 121.191 119.950 -0.033 0.000 2.553 359 F HA 0.583 5.112 4.527 0.003 0.000 0.335 359 F C 0.863 176.651 175.800 -0.020 0.000 1.148 359 F CA -0.536 57.425 58.000 -0.066 0.000 0.963 359 F CB 1.835 40.810 39.000 -0.042 0.000 1.217 359 F HN 0.497 nan 8.300 nan 0.000 0.441 360 G N 3.153 111.677 108.800 -0.461 0.000 2.430 360 G HA2 0.342 4.304 3.960 0.003 0.000 0.216 360 G HA3 0.342 4.304 3.960 0.003 0.000 0.216 360 G C 0.905 175.576 174.900 -0.382 0.000 1.146 360 G CA 0.574 45.500 45.100 -0.290 0.000 0.793 360 G HN 1.452 nan 8.290 nan 0.000 0.537 361 G N -0.766 107.516 108.800 -0.863 0.000 2.562 361 G HA2 0.231 4.193 3.960 0.003 0.000 0.250 361 G HA3 0.231 4.193 3.960 0.003 0.000 0.250 361 G C 0.696 175.505 174.900 -0.152 0.000 1.269 361 G CA -0.037 44.799 45.100 -0.441 0.000 0.919 361 G HN 1.224 nan 8.290 nan 0.000 0.574 362 G N -0.964 107.822 108.800 -0.023 0.000 2.684 362 G HA2 0.703 4.665 3.960 0.003 0.000 0.255 362 G HA3 0.703 4.665 3.960 0.003 0.000 0.255 362 G C 1.202 176.111 174.900 0.015 0.000 1.219 362 G CA 1.605 46.716 45.100 0.019 0.000 0.901 362 G HN 2.688 nan 8.290 nan 0.000 0.548 363 G N -1.715 107.101 108.800 0.027 0.000 2.796 363 G HA2 0.392 4.354 3.960 0.003 0.000 0.571 363 G HA3 0.392 4.354 3.960 0.003 0.000 0.571 363 G C 0.091 175.009 174.900 0.029 0.000 1.370 363 G CA -0.001 45.115 45.100 0.026 0.000 0.856 363 G HN 2.031 nan 8.290 nan 0.000 0.538 364 A N 0.938 123.781 122.820 0.039 0.000 2.391 364 A HA 0.611 4.932 4.320 0.003 0.000 0.316 364 A C 0.087 177.717 177.584 0.077 0.000 1.381 364 A CA -0.122 51.949 52.037 0.056 0.000 0.998 364 A CB 0.194 19.235 19.000 0.069 0.000 1.147 364 A HN 0.591 nan 8.150 nan 0.000 0.545 365 D N 1.250 121.700 120.400 0.083 0.000 2.268 365 D HA 0.342 4.984 4.640 0.003 0.000 0.249 365 D C -0.413 175.969 176.300 0.138 0.000 1.008 365 D CA -0.098 53.961 54.000 0.098 0.000 0.939 365 D CB 1.705 42.549 40.800 0.072 0.000 1.170 365 D HN 0.675 nan 8.370 nan 0.000 0.468 366 E N 1.312 121.602 120.200 0.149 0.000 2.182 366 E HA 0.385 4.737 4.350 0.003 0.000 0.258 366 E C -1.205 175.499 176.600 0.172 0.000 0.879 366 E CA -0.549 55.939 56.400 0.147 0.000 0.754 366 E CB 0.689 30.499 29.700 0.184 0.000 1.162 366 E HN 0.272 nan 8.360 nan 0.000 0.419 367 L N 4.622 125.888 121.223 0.071 0.000 2.313 367 L HA 0.551 4.893 4.340 0.003 0.000 0.283 367 L C -1.110 175.823 176.870 0.104 0.000 1.013 367 L CA -0.822 54.139 54.840 0.202 0.000 0.816 367 L CB 1.020 43.257 42.059 0.296 0.000 1.236 367 L HN 0.535 nan 8.230 nan 0.000 0.419 368 W N 1.771 123.250 121.300 0.298 0.000 2.424 368 W HA 0.497 5.159 4.660 0.003 0.000 0.318 368 W C 0.984 177.687 176.519 0.306 0.000 1.016 368 W CA -0.632 56.873 57.345 0.268 0.000 1.268 368 W CB 1.818 31.369 29.460 0.153 0.000 1.297 368 W HN 0.617 nan 8.180 nan 0.000 0.428 369 G N 1.653 110.814 108.800 0.602 0.000 2.430 369 G HA2 0.342 4.303 3.960 0.003 0.000 0.216 369 G HA3 0.342 4.303 3.960 0.003 0.000 0.216 369 G C 0.933 175.968 174.900 0.226 0.000 1.146 369 G CA 0.699 46.002 45.100 0.338 0.000 0.793 369 G HN 1.004 nan 8.290 nan 0.000 0.537 370 G N -0.443 108.525 108.800 0.279 0.000 2.642 370 G HA2 0.274 4.236 3.960 0.003 0.000 0.231 370 G HA3 0.274 4.236 3.960 0.003 0.000 0.231 370 G C 0.415 175.384 174.900 0.115 0.000 1.338 370 G CA -0.001 45.208 45.100 0.180 0.000 0.883 370 G HN 1.416 nan 8.290 nan 0.000 0.570 371 A N -0.505 122.356 122.820 0.068 0.000 2.406 371 A HA 0.880 5.202 4.320 0.003 0.000 0.243 371 A C 1.684 179.281 177.584 0.021 0.000 1.082 371 A CA 2.028 54.088 52.037 0.038 0.000 0.786 371 A CB 0.014 19.028 19.000 0.023 0.000 1.029 371 A HN 3.014 nan 8.150 nan 0.000 0.495 372 G N 0.119 108.922 108.800 0.004 0.000 2.655 372 G HA2 -0.057 3.905 3.960 0.003 0.000 0.680 372 G HA3 -0.057 3.905 3.960 0.003 0.000 0.680 372 G C -0.656 174.226 174.900 -0.029 0.000 1.302 372 G CA -0.312 44.781 45.100 -0.012 0.000 0.872 372 G HN 0.870 nan 8.290 nan 0.000 0.540 373 K N 1.495 121.871 120.400 -0.039 0.000 2.250 373 K HA 0.333 4.655 4.320 0.003 0.000 0.280 373 K C -0.673 175.881 176.600 -0.075 0.000 1.098 373 K CA -0.515 55.738 56.287 -0.056 0.000 0.916 373 K CB 0.753 33.229 32.500 -0.041 0.000 1.209 373 K HN 0.442 nan 8.250 nan 0.000 0.461 374 D N 2.750 123.084 120.400 -0.109 0.000 2.268 374 D HA 0.417 5.059 4.640 0.003 0.000 0.249 374 D C 0.062 176.202 176.300 -0.265 0.000 1.008 374 D CA -0.394 53.472 54.000 -0.224 0.000 0.939 374 D CB 1.947 42.556 40.800 -0.320 0.000 1.170 374 D HN 0.281 nan 8.370 nan 0.000 0.468 375 I N 1.097 121.454 120.570 -0.355 0.000 2.466 375 I HA 0.273 4.445 4.170 0.003 0.000 0.289 375 I C -0.909 175.014 176.117 -0.322 0.000 1.026 375 I CA -0.774 60.422 61.300 -0.174 0.000 1.078 375 I CB 1.237 39.224 38.000 -0.021 0.000 1.249 375 I HN 0.079 nan 8.210 nan 0.000 0.429 376 F N 5.697 125.753 119.950 0.176 0.000 2.388 376 F HA 0.485 5.013 4.527 0.003 0.000 0.358 376 F C 0.097 175.932 175.800 0.058 0.000 1.122 376 F CA -0.870 57.196 58.000 0.110 0.000 1.056 376 F CB 1.415 40.548 39.000 0.223 0.000 1.155 376 F HN 0.008 nan 8.300 nan 0.000 0.461 377 V N 4.331 124.259 119.914 0.024 0.000 2.472 377 V HA 0.481 4.603 4.120 0.003 0.000 0.290 377 V C -0.547 175.408 176.094 -0.231 0.000 1.037 377 V CA -0.896 61.475 62.300 0.118 0.000 0.908 377 V CB 1.379 33.405 31.823 0.339 0.000 0.985 377 V HN 0.484 nan 8.190 nan 0.000 0.454 378 F N 1.693 121.912 119.950 0.450 0.000 2.565 378 F HA 0.557 5.086 4.527 0.003 0.000 0.313 378 F C 0.584 176.519 175.800 0.224 0.000 1.091 378 F CA -0.512 57.719 58.000 0.385 0.000 0.915 378 F CB 2.485 41.793 39.000 0.513 0.000 1.208 378 F HN 0.465 nan 8.300 nan 0.000 0.453 379 S N 0.224 116.078 115.700 0.256 0.000 2.993 379 S HA 0.781 5.253 4.470 0.003 0.000 0.257 379 S C -0.365 174.082 174.600 -0.255 0.000 0.997 379 S CA 0.035 57.973 58.200 -0.437 0.000 1.191 379 S CB 0.393 63.081 63.200 -0.854 0.000 1.143 379 S HN 0.963 nan 8.310 nan 0.000 0.655 380 A N 0.334 123.336 122.820 0.303 0.000 2.594 380 A HA 0.885 5.207 4.320 0.003 0.000 0.296 380 A C 0.768 178.609 177.584 0.428 0.000 1.061 380 A CA -0.279 51.979 52.037 0.368 0.000 0.689 380 A CB 0.291 19.412 19.000 0.202 0.000 1.280 380 A HN 0.822 nan 8.150 nan 0.000 0.406 381 A N 0.983 124.001 122.820 0.330 0.000 1.940 381 A HA -0.043 4.279 4.320 0.003 0.000 0.219 381 A C 2.191 179.992 177.584 0.362 0.000 1.176 381 A CA 2.713 54.957 52.037 0.346 0.000 0.631 381 A CB -0.912 18.205 19.000 0.195 0.000 0.814 381 A HN 2.036 nan 8.150 nan 0.000 0.446 382 S N -0.225 115.624 115.700 0.247 0.000 2.507 382 S HA -0.118 4.354 4.470 0.003 0.000 0.235 382 S C 1.077 175.777 174.600 0.165 0.000 0.988 382 S CA 1.186 59.488 58.200 0.170 0.000 0.944 382 S CB -0.399 62.877 63.200 0.128 0.000 0.762 382 S HN 0.490 nan 8.310 nan 0.000 0.526 383 D N 1.569 122.123 120.400 0.256 0.000 2.178 383 D HA 0.049 4.691 4.640 0.003 0.000 0.201 383 D C 0.686 177.084 176.300 0.163 0.000 0.980 383 D CA 1.148 55.285 54.000 0.228 0.000 0.842 383 D CB -0.080 40.975 40.800 0.425 0.000 0.948 383 D HN 0.448 nan 8.370 nan 0.000 0.472 384 S N -0.563 115.186 115.700 0.081 0.000 2.440 384 S HA 0.561 5.033 4.470 0.003 0.000 0.142 384 S C -0.780 173.674 174.600 -0.245 0.000 1.578 384 S CA -0.591 57.484 58.200 -0.208 0.000 1.260 384 S CB -0.157 62.686 63.200 -0.594 0.000 1.407 384 S HN 0.196 nan 8.310 nan 0.000 0.392 385 A N 3.612 126.386 122.820 -0.075 0.000 2.425 385 A HA 0.635 4.957 4.320 0.003 0.000 0.249 385 A C -2.623 174.905 177.584 -0.094 0.000 1.084 385 A CA -1.178 50.830 52.037 -0.048 0.000 0.781 385 A CB -0.234 18.769 19.000 0.005 0.000 1.019 385 A HN 0.491 nan 8.150 nan 0.000 0.490 386 P HA 0.263 nan 4.420 nan 0.000 0.264 386 P C 1.038 178.301 177.300 -0.062 0.000 1.193 386 P CA 1.892 64.935 63.100 -0.095 0.000 0.763 386 P CB 0.735 32.390 31.700 -0.075 0.000 0.810 387 G N 2.569 111.336 108.800 -0.056 0.000 2.213 387 G HA2 -0.113 3.849 3.960 0.003 0.000 0.236 387 G HA3 -0.113 3.849 3.960 0.003 0.000 0.236 387 G C 0.391 175.284 174.900 -0.012 0.000 0.991 387 G CA 0.093 45.178 45.100 -0.026 0.000 0.629 387 G HN 0.846 nan 8.290 nan 0.000 0.517 388 A N 0.087 122.891 122.820 -0.026 0.000 3.165 388 A HA 0.730 5.052 4.320 0.003 0.000 0.212 388 A C 0.382 177.946 177.584 -0.035 0.000 0.935 388 A CA 1.008 53.042 52.037 -0.006 0.000 1.100 388 A CB 0.042 19.044 19.000 0.002 0.000 1.260 388 A HN 0.976 nan 8.150 nan 0.000 0.532 389 S N 1.127 116.780 115.700 -0.079 0.000 2.572 389 S HA 0.281 4.753 4.470 0.003 0.000 0.279 389 S C -0.030 174.497 174.600 -0.121 0.000 1.341 389 S CA -0.077 58.013 58.200 -0.183 0.000 1.043 389 S CB 0.492 63.499 63.200 -0.321 0.000 0.887 389 S HN 0.563 nan 8.310 nan 0.000 0.516 390 D N 0.238 120.542 120.400 -0.160 0.000 2.344 390 D HA 0.345 4.986 4.640 0.003 0.000 0.244 390 D C -0.890 175.328 176.300 -0.137 0.000 1.134 390 D CA 0.090 54.072 54.000 -0.030 0.000 0.930 390 D CB 0.477 41.315 40.800 0.063 0.000 1.175 390 D HN 0.476 nan 8.370 nan 0.000 0.437 391 W N 0.784 122.026 121.300 -0.098 0.000 2.683 391 W HA 0.468 5.130 4.660 0.003 0.000 0.329 391 W C -0.470 175.912 176.519 -0.229 0.000 1.037 391 W CA -0.564 56.684 57.345 -0.162 0.000 1.232 391 W CB 0.962 30.326 29.460 -0.159 0.000 1.390 391 W HN 0.076 nan 8.180 nan 0.000 0.465 392 I N 5.277 125.810 120.570 -0.061 0.000 2.306 392 I HA 0.215 4.387 4.170 0.003 0.000 0.288 392 I C 1.164 177.144 176.117 -0.228 0.000 1.036 392 I CA -0.665 60.471 61.300 -0.273 0.000 1.221 392 I CB 1.031 38.725 38.000 -0.510 0.000 1.385 392 I HN 0.411 nan 8.210 nan 0.000 0.472 393 R N 3.721 123.931 120.500 -0.485 0.000 2.299 393 R HA 0.011 4.353 4.340 0.003 0.000 0.197 393 R C -0.137 175.917 176.300 -0.410 0.000 0.971 393 R CA 0.444 56.137 56.100 -0.679 0.000 1.030 393 R CB -0.259 28.951 30.300 -1.817 0.000 0.932 393 R HN 0.725 nan 8.270 nan 0.000 0.477 394 D N -1.780 118.527 120.400 -0.154 0.000 3.118 394 D HA -0.028 4.614 4.640 0.003 0.000 0.352 394 D C -0.529 175.849 176.300 0.130 0.000 1.498 394 D CA -0.618 53.421 54.000 0.066 0.000 0.759 394 D CB -1.189 39.750 40.800 0.232 0.000 1.251 394 D HN -0.127 nan 8.370 nan 0.000 0.504 395 F N 1.770 121.692 119.950 -0.046 0.000 2.538 395 F HA 0.312 4.841 4.527 0.003 0.000 0.371 395 F C 0.271 176.082 175.800 0.018 0.000 1.087 395 F CA 0.511 58.498 58.000 -0.022 0.000 1.250 395 F CB 0.827 39.752 39.000 -0.126 0.000 1.110 395 F HN -0.110 nan 8.300 nan 0.000 0.570 396 Q N 6.337 125.862 119.800 -0.458 0.000 2.381 396 Q HA 0.140 4.482 4.340 0.003 0.000 0.263 396 Q C -0.614 175.161 176.000 -0.376 0.000 1.030 396 Q CA -0.807 54.843 55.803 -0.254 0.000 0.772 396 Q CB 1.631 30.273 28.738 -0.160 0.000 1.232 396 Q HN 0.686 nan 8.270 nan 0.000 0.476 397 K N -0.382 119.980 120.400 -0.064 0.000 2.485 397 K HA 0.286 4.608 4.320 0.003 0.000 0.277 397 K C 0.913 177.486 176.600 -0.045 0.000 0.990 397 K CA 0.715 57.024 56.287 0.038 0.000 0.994 397 K CB 0.282 32.840 32.500 0.096 0.000 0.906 397 K HN 0.638 nan 8.250 nan 0.000 0.488 398 G N 2.260 111.046 108.800 -0.024 0.000 2.212 398 G HA2 -0.285 3.677 3.960 0.003 0.000 0.266 398 G HA3 -0.285 3.677 3.960 0.003 0.000 0.266 398 G C 0.596 175.461 174.900 -0.059 0.000 0.978 398 G CA 0.600 45.684 45.100 -0.027 0.000 0.632 398 G HN 0.673 nan 8.290 nan 0.000 0.537 399 I N -0.459 120.034 120.570 -0.129 0.000 3.650 399 I HA 0.246 4.418 4.170 0.003 0.000 0.261 399 I C 0.763 176.776 176.117 -0.173 0.000 1.154 399 I CA -0.105 61.117 61.300 -0.130 0.000 1.418 399 I CB 0.009 37.933 38.000 -0.126 0.000 1.539 399 I HN -0.047 nan 8.210 nan 0.000 0.449 400 D N 2.143 122.325 120.400 -0.363 0.000 2.387 400 D HA 0.388 5.030 4.640 0.003 0.000 0.251 400 D C -0.394 175.821 176.300 -0.141 0.000 1.141 400 D CA 0.086 53.884 54.000 -0.336 0.000 0.987 400 D CB 1.402 41.859 40.800 -0.572 0.000 1.116 400 D HN 0.006 nan 8.370 nan 0.000 0.491 401 K N 0.003 120.505 120.400 0.170 0.000 2.508 401 K HA 0.534 4.856 4.320 0.003 0.000 0.260 401 K C -0.902 175.969 176.600 0.452 0.000 0.949 401 K CA -0.623 55.832 56.287 0.279 0.000 0.834 401 K CB 2.253 34.844 32.500 0.151 0.000 1.365 401 K HN 0.241 nan 8.250 nan 0.000 0.437 402 I N 1.729 122.458 120.570 0.265 0.000 2.355 402 I HA 0.137 4.309 4.170 0.003 0.000 0.288 402 I C -0.760 175.612 176.117 0.425 0.000 0.999 402 I CA -0.517 60.999 61.300 0.360 0.000 1.163 402 I CB 1.354 39.420 38.000 0.109 0.000 1.316 402 I HN 0.469 nan 8.210 nan 0.000 0.454 403 D N 7.758 128.447 120.400 0.482 0.000 2.396 403 D HA 0.289 4.931 4.640 0.003 0.000 0.225 403 D C 0.121 176.724 176.300 0.505 0.000 1.121 403 D CA -0.072 54.185 54.000 0.429 0.000 0.853 403 D CB 1.184 42.184 40.800 0.334 0.000 1.043 403 D HN 0.447 nan 8.370 nan 0.000 0.500 404 L N 2.899 124.407 121.223 0.475 0.000 2.959 404 L HA 0.045 4.387 4.340 0.003 0.000 0.259 404 L C 2.139 179.217 176.870 0.347 0.000 1.185 404 L CA -0.126 55.004 54.840 0.483 0.000 0.998 404 L CB 0.183 42.514 42.059 0.453 0.000 1.337 404 L HN 0.318 nan 8.230 nan 0.000 0.555 405 S N 0.263 116.117 115.700 0.257 0.000 2.420 405 S HA -0.277 4.195 4.470 0.003 0.000 0.237 405 S C 1.843 176.452 174.600 0.015 0.000 1.023 405 S CA 1.058 59.352 58.200 0.158 0.000 0.991 405 S CB -0.632 62.667 63.200 0.166 0.000 0.792 405 S HN 0.502 nan 8.310 nan 0.000 0.488 406 F N 2.174 121.949 119.950 -0.291 0.000 2.126 406 F HA -0.061 4.468 4.527 0.003 0.000 0.299 406 F C 1.631 177.173 175.800 -0.431 0.000 1.096 406 F CA 1.353 58.991 58.000 -0.603 0.000 1.255 406 F CB -0.553 37.793 39.000 -1.090 0.000 0.997 406 F HN 0.184 nan 8.300 nan 0.000 0.479 407 F N 0.882 120.815 119.950 -0.028 0.000 2.075 407 F HA -0.196 4.333 4.527 0.003 0.000 0.297 407 F C 2.385 178.183 175.800 -0.002 0.000 1.113 407 F CA 1.735 59.746 58.000 0.018 0.000 1.218 407 F CB -1.276 37.857 39.000 0.222 0.000 0.984 407 F HN -0.062 nan 8.300 nan 0.000 0.472 408 D N -0.021 120.504 120.400 0.209 0.000 2.178 408 D HA -0.133 4.509 4.640 0.003 0.000 0.202 408 D C 2.161 178.446 176.300 -0.026 0.000 0.974 408 D CA 0.879 54.962 54.000 0.138 0.000 0.841 408 D CB -0.321 40.561 40.800 0.137 0.000 0.953 408 D HN 0.213 nan 8.370 nan 0.000 0.478 409 K N 0.824 121.147 120.400 -0.128 0.000 2.025 409 K HA -0.176 4.146 4.320 0.003 0.000 0.207 409 K C 1.980 178.426 176.600 -0.256 0.000 1.049 409 K CA 1.231 57.410 56.287 -0.179 0.000 0.933 409 K CB 0.026 32.396 32.500 -0.215 0.000 0.714 409 K HN 0.057 nan 8.250 nan 0.000 0.438 410 E N -0.142 119.787 120.200 -0.451 0.000 2.077 410 E HA -0.171 4.181 4.350 0.003 0.000 0.193 410 E C 1.628 178.075 176.600 -0.255 0.000 0.989 410 E CA 1.115 57.263 56.400 -0.421 0.000 0.800 410 E CB -0.124 29.186 29.700 -0.651 0.000 0.746 410 E HN 0.422 nan 8.360 nan 0.000 0.452 411 A N 0.714 123.393 122.820 -0.236 0.000 2.119 411 A HA -0.094 4.228 4.320 0.003 0.000 0.217 411 A C 0.767 178.263 177.584 -0.146 0.000 1.153 411 A CA 0.765 52.654 52.037 -0.245 0.000 0.692 411 A CB -0.216 18.572 19.000 -0.354 0.000 0.799 411 A HN 0.453 nan 8.150 nan 0.000 0.458 412 N N -0.821 117.814 118.700 -0.109 0.000 2.727 412 N HA -0.139 4.603 4.740 0.003 0.000 0.249 412 N C -0.364 175.122 175.510 -0.040 0.000 1.048 412 N CA 1.223 54.232 53.050 -0.069 0.000 0.714 412 N CB -1.419 37.026 38.487 -0.070 0.000 0.959 412 N HN 0.536 nan 8.380 nan 0.000 0.544 413 S N -1.846 113.847 115.700 -0.013 0.000 2.546 413 S HA 0.532 5.004 4.470 0.003 0.000 0.272 413 S C 0.736 175.372 174.600 0.060 0.000 1.140 413 S CA -0.328 57.883 58.200 0.019 0.000 0.920 413 S CB 1.342 64.554 63.200 0.020 0.000 1.083 413 S HN 0.079 nan 8.310 nan 0.000 0.476 414 S N 2.470 118.196 115.700 0.045 0.000 2.562 414 S HA 0.069 4.541 4.470 0.003 0.000 0.221 414 S C 1.088 175.721 174.600 0.056 0.000 0.975 414 S CA 0.436 58.668 58.200 0.053 0.000 0.918 414 S CB 0.054 63.276 63.200 0.036 0.000 0.772 414 S HN 0.644 nan 8.310 nan 0.000 0.531 415 S N 0.524 116.253 115.700 0.048 0.000 2.559 415 S HA 0.277 4.749 4.470 0.003 0.000 0.226 415 S C 0.958 175.584 174.600 0.044 0.000 1.000 415 S CA -0.512 57.684 58.200 -0.005 0.000 0.948 415 S CB -0.024 63.130 63.200 -0.076 0.000 0.870 415 S HN 0.529 nan 8.310 nan 0.000 0.497 416 F N 3.268 123.209 119.950 -0.014 0.000 2.000 416 F HA 0.114 4.643 4.527 0.003 0.000 0.295 416 F C 0.532 176.399 175.800 0.111 0.000 1.159 416 F CA 0.813 58.824 58.000 0.019 0.000 1.171 416 F CB -0.280 38.718 39.000 -0.003 0.000 0.971 416 F HN 0.001 nan 8.300 nan 0.000 0.479 417 I N 3.276 123.680 120.570 -0.277 0.000 2.452 417 I HA 0.119 4.291 4.170 0.003 0.000 0.287 417 I C -0.447 175.549 176.117 -0.201 0.000 1.079 417 I CA 0.271 61.298 61.300 -0.454 0.000 1.387 417 I CB -0.587 37.209 38.000 -0.340 0.000 1.404 417 I HN 0.429 nan 8.210 nan 0.000 0.522 418 H N 5.154 123.945 119.070 -0.466 0.000 3.085 418 H HA 0.366 4.924 4.556 0.003 0.000 0.356 418 H C -1.721 173.348 175.328 -0.432 0.000 1.178 418 H CA -0.935 54.922 56.048 -0.318 0.000 1.214 418 H CB 0.442 30.108 29.762 -0.160 0.000 1.881 418 H HN 0.147 nan 8.280 nan 0.000 0.538 419 F N 1.899 121.698 119.950 -0.252 0.000 2.412 419 F HA 0.385 4.914 4.527 0.003 0.000 0.348 419 F C 1.038 176.687 175.800 -0.252 0.000 1.102 419 F CA -0.161 57.655 58.000 -0.308 0.000 1.196 419 F CB 1.427 40.264 39.000 -0.273 0.000 1.144 419 F HN 0.521 nan 8.300 nan 0.000 0.541 420 V N -0.638 119.173 119.914 -0.170 0.000 3.102 420 V HA 0.456 4.578 4.120 0.003 0.000 0.312 420 V C -0.112 175.868 176.094 -0.190 0.000 1.135 420 V CA -0.874 61.311 62.300 -0.191 0.000 1.022 420 V CB 2.123 33.747 31.823 -0.333 0.000 1.056 420 V HN 0.787 nan 8.190 nan 0.000 0.436 421 D N 0.248 120.580 120.400 -0.115 0.000 2.349 421 D HA 0.067 4.709 4.640 0.003 0.000 0.214 421 D C 0.281 176.561 176.300 -0.033 0.000 1.063 421 D CA 0.496 54.464 54.000 -0.053 0.000 0.847 421 D CB 0.031 40.853 40.800 0.036 0.000 0.933 421 D HN 1.011 nan 8.370 nan 0.000 0.513 422 H N -1.958 116.980 119.070 -0.221 0.000 3.121 422 H HA 0.245 4.803 4.556 0.003 0.000 0.337 422 H C -1.629 173.584 175.328 -0.192 0.000 1.198 422 H CA -0.851 55.071 56.048 -0.210 0.000 1.274 422 H CB -0.137 29.575 29.762 -0.084 0.000 1.954 422 H HN -0.301 nan 8.280 nan 0.000 0.531 423 F N 1.797 121.676 119.950 -0.119 0.000 2.440 423 F HA 0.282 4.811 4.527 0.003 0.000 0.323 423 F C 1.649 177.384 175.800 -0.109 0.000 1.192 423 F CA 0.953 58.857 58.000 -0.159 0.000 1.252 423 F CB 1.389 40.337 39.000 -0.086 0.000 1.214 423 F HN 0.744 nan 8.300 nan 0.000 0.578 424 S N -1.681 114.111 115.700 0.153 0.000 2.874 424 S HA 0.386 4.858 4.470 0.003 0.000 0.257 424 S C 0.844 175.472 174.600 0.047 0.000 0.975 424 S CA 0.049 58.302 58.200 0.089 0.000 1.326 424 S CB 0.147 63.375 63.200 0.046 0.000 1.215 424 S HN 1.435 nan 8.310 nan 0.000 0.679 425 G N 1.301 110.107 108.800 0.010 0.000 2.195 425 G HA2 -0.242 3.720 3.960 0.003 0.000 0.246 425 G HA3 -0.242 3.720 3.960 0.003 0.000 0.246 425 G C 0.170 175.040 174.900 -0.051 0.000 0.984 425 G CA 0.093 45.166 45.100 -0.046 0.000 0.633 425 G HN 0.732 nan 8.290 nan 0.000 0.525 426 T N 1.883 116.428 114.554 -0.016 0.000 2.901 426 T HA 0.556 4.908 4.350 0.003 0.000 0.301 426 T C 0.864 175.543 174.700 -0.035 0.000 1.012 426 T CA 0.481 62.582 62.100 0.003 0.000 1.135 426 T CB 1.536 70.436 68.868 0.055 0.000 0.936 426 T HN 1.378 nan 8.240 nan 0.000 0.539 427 A N 1.967 124.785 122.820 -0.004 0.000 2.407 427 A HA 0.571 4.892 4.320 0.003 0.000 0.248 427 A C 1.587 179.123 177.584 -0.080 0.000 1.082 427 A CA 0.167 52.200 52.037 -0.008 0.000 0.785 427 A CB -0.611 18.479 19.000 0.151 0.000 1.020 427 A HN 1.546 nan 8.150 nan 0.000 0.489 428 G N 0.710 109.225 108.800 -0.474 0.000 2.241 428 G HA2 -0.208 3.754 3.960 0.003 0.000 0.244 428 G HA3 -0.208 3.754 3.960 0.003 0.000 0.244 428 G C 0.124 174.583 174.900 -0.736 0.000 0.998 428 G CA 0.377 44.865 45.100 -1.019 0.000 0.621 428 G HN 0.877 nan 8.290 nan 0.000 0.519 429 E N 1.165 121.052 120.200 -0.521 0.000 2.415 429 E HA 0.473 4.825 4.350 0.003 0.000 0.263 429 E C 0.447 176.832 176.600 -0.358 0.000 0.995 429 E CA 0.466 56.525 56.400 -0.568 0.000 0.915 429 E CB 0.909 30.522 29.700 -0.145 0.000 0.951 429 E HN 0.742 nan 8.360 nan 0.000 0.449 430 A N 3.901 126.353 122.820 -0.614 0.000 2.342 430 A HA 0.617 4.939 4.320 0.003 0.000 0.323 430 A C -1.260 176.058 177.584 -0.444 0.000 1.125 430 A CA -0.634 51.042 52.037 -0.602 0.000 0.785 430 A CB 0.877 19.100 19.000 -1.296 0.000 1.221 430 A HN 0.465 nan 8.150 nan 0.000 0.463 431 L N 2.472 123.532 121.223 -0.271 0.000 2.409 431 L HA 0.652 4.994 4.340 0.003 0.000 0.272 431 L C -1.524 175.308 176.870 -0.064 0.000 0.980 431 L CA -0.233 54.443 54.840 -0.274 0.000 0.826 431 L CB 1.603 43.228 42.059 -0.722 0.000 1.268 431 L HN 0.661 nan 8.230 nan 0.000 0.407 432 L N 3.827 125.050 121.223 0.000 0.000 2.282 432 L HA 0.603 4.945 4.340 0.003 0.000 0.288 432 L C -0.128 176.738 176.870 -0.007 0.000 1.033 432 L CA -0.310 54.542 54.840 0.020 0.000 0.807 432 L CB 1.819 43.892 42.059 0.024 0.000 1.209 432 L HN 0.675 nan 8.230 nan 0.000 0.423 433 S N 3.001 118.705 115.700 0.006 0.000 2.707 433 S HA 0.381 4.853 4.470 0.003 0.000 0.312 433 S C -1.227 173.426 174.600 0.089 0.000 1.116 433 S CA -0.447 57.766 58.200 0.022 0.000 1.078 433 S CB 0.489 63.680 63.200 -0.015 0.000 0.997 433 S HN 0.376 nan 8.310 nan 0.000 0.477 434 Y N 5.386 125.662 120.300 -0.041 0.000 2.328 434 Y HA 0.583 5.135 4.550 0.003 0.000 0.337 434 Y C -0.340 175.547 175.900 -0.022 0.000 1.008 434 Y CA -1.197 56.884 58.100 -0.032 0.000 1.129 434 Y CB 0.990 39.437 38.460 -0.023 0.000 1.185 434 Y HN 0.667 nan 8.280 nan 0.000 0.476 435 N N 4.739 123.243 118.700 -0.327 0.000 2.558 435 N HA 0.300 5.042 4.740 0.003 0.000 0.242 435 N C 0.242 175.355 175.510 -0.662 0.000 0.979 435 N CA 0.360 53.172 53.050 -0.398 0.000 0.931 435 N CB 1.396 39.788 38.487 -0.159 0.000 1.122 435 N HN 0.871 nan 8.380 nan 0.000 0.508 436 A N 2.444 124.753 122.820 -0.851 0.000 2.015 436 A HA -0.070 4.252 4.320 0.003 0.000 0.219 436 A C 1.987 179.427 177.584 -0.239 0.000 1.163 436 A CA 1.323 52.981 52.037 -0.632 0.000 0.646 436 A CB -0.109 18.644 19.000 -0.412 0.000 0.806 436 A HN 0.615 nan 8.150 nan 0.000 0.448 437 S N 0.044 115.633 115.700 -0.185 0.000 2.395 437 S HA -0.091 4.381 4.470 0.003 0.000 0.225 437 S C 2.165 176.732 174.600 -0.055 0.000 1.027 437 S CA 1.490 59.636 58.200 -0.090 0.000 0.965 437 S CB -0.179 62.977 63.200 -0.072 0.000 0.812 437 S HN 0.876 nan 8.310 nan 0.000 0.482 438 S N 0.891 116.555 115.700 -0.060 0.000 2.535 438 S HA 0.162 4.633 4.470 0.003 0.000 0.214 438 S C 0.622 175.239 174.600 0.028 0.000 0.980 438 S CA 0.361 58.557 58.200 -0.007 0.000 0.907 438 S CB -0.346 62.860 63.200 0.010 0.000 0.790 438 S HN 0.374 nan 8.310 nan 0.000 0.510 439 N N 0.207 118.917 118.700 0.017 0.000 2.758 439 N HA -0.148 4.594 4.740 0.003 0.000 0.248 439 N C -1.205 174.399 175.510 0.156 0.000 1.076 439 N CA 0.743 53.862 53.050 0.116 0.000 0.696 439 N CB -1.799 36.755 38.487 0.111 0.000 0.979 439 N HN 0.383 nan 8.380 nan 0.000 0.550 440 V N 0.333 120.324 119.914 0.128 0.000 2.709 440 V HA 0.585 4.707 4.120 0.003 0.000 0.308 440 V C 0.284 176.450 176.094 0.121 0.000 1.062 440 V CA -0.546 61.829 62.300 0.126 0.000 0.901 440 V CB 2.204 34.099 31.823 0.120 0.000 1.003 440 V HN 0.211 nan 8.190 nan 0.000 0.425 441 T N 2.823 117.416 114.554 0.064 0.000 2.807 441 T HA 0.452 4.804 4.350 0.003 0.000 0.279 441 T C -0.966 173.671 174.700 -0.104 0.000 0.993 441 T CA -0.492 61.632 62.100 0.038 0.000 0.970 441 T CB 1.234 70.097 68.868 -0.007 0.000 0.950 441 T HN 0.604 nan 8.240 nan 0.000 0.441 442 D N 2.368 122.715 120.400 -0.087 0.000 2.198 442 D HA 0.438 5.080 4.640 0.003 0.000 0.245 442 D C -0.664 175.578 176.300 -0.097 0.000 1.079 442 D CA -0.490 53.422 54.000 -0.146 0.000 0.854 442 D CB 1.428 42.160 40.800 -0.112 0.000 1.148 442 D HN 0.240 nan 8.370 nan 0.000 0.456 443 L N 1.904 123.048 121.223 -0.132 0.000 2.316 443 L HA 0.451 4.793 4.340 0.003 0.000 0.280 443 L C -0.977 175.865 176.870 -0.046 0.000 1.006 443 L CA -0.213 54.605 54.840 -0.037 0.000 0.836 443 L CB 1.126 43.187 42.059 0.002 0.000 1.221 443 L HN 0.148 nan 8.230 nan 0.000 0.418 444 S N 3.903 119.625 115.700 0.037 0.000 2.472 444 S HA 0.861 5.333 4.470 0.003 0.000 0.303 444 S C -0.766 173.956 174.600 0.203 0.000 1.099 444 S CA -0.626 57.648 58.200 0.123 0.000 1.077 444 S CB 1.888 65.231 63.200 0.239 0.000 1.031 444 S HN 0.411 nan 8.310 nan 0.000 0.487 445 V N 2.859 122.868 119.914 0.159 0.000 2.709 445 V HA 0.464 4.586 4.120 0.003 0.000 0.308 445 V C -0.514 175.475 176.094 -0.175 0.000 1.062 445 V CA -0.936 61.335 62.300 -0.049 0.000 0.901 445 V CB 2.102 33.753 31.823 -0.287 0.000 1.003 445 V HN 0.831 nan 8.190 nan 0.000 0.425 446 N N 3.243 121.758 118.700 -0.308 0.000 2.949 446 N HA 0.380 5.122 4.740 0.003 0.000 0.243 446 N C 0.625 175.933 175.510 -0.336 0.000 1.113 446 N CA -0.157 52.670 53.050 -0.373 0.000 0.980 446 N CB 0.459 38.642 38.487 -0.506 0.000 1.256 446 N HN 0.675 nan 8.380 nan 0.000 0.508 447 I N 0.238 120.622 120.570 -0.310 0.000 2.233 447 I HA -0.036 4.136 4.170 0.003 0.000 0.243 447 I C 2.125 178.177 176.117 -0.109 0.000 1.093 447 I CA 1.021 62.161 61.300 -0.267 0.000 1.380 447 I CB -0.020 37.773 38.000 -0.347 0.000 1.067 447 I HN 0.485 nan 8.210 nan 0.000 0.413 448 G N -0.110 108.563 108.800 -0.213 0.000 2.744 448 G HA2 0.130 4.092 3.960 0.003 0.000 0.211 448 G HA3 0.130 4.092 3.960 0.003 0.000 0.211 448 G C 1.261 175.791 174.900 -0.617 0.000 1.143 448 G CA 0.472 45.326 45.100 -0.409 0.000 0.788 448 G HN 0.596 nan 8.290 nan 0.000 0.534 449 G N -0.201 108.330 108.800 -0.448 0.000 2.289 449 G HA2 -0.225 3.737 3.960 0.003 0.000 0.280 449 G HA3 -0.225 3.737 3.960 0.003 0.000 0.280 449 G C 0.037 174.741 174.900 -0.327 0.000 1.089 449 G CA 0.393 45.311 45.100 -0.303 0.000 0.939 449 G HN 0.777 nan 8.290 nan 0.000 0.499 450 H N -1.242 117.770 119.070 -0.097 0.000 2.760 450 H HA 0.699 5.257 4.556 0.003 0.000 0.301 450 H C 1.750 177.008 175.328 -0.116 0.000 1.498 450 H CA -0.287 55.708 56.048 -0.088 0.000 1.525 450 H CB 0.903 30.615 29.762 -0.084 0.000 1.771 450 H HN 0.231 nan 8.280 nan 0.000 0.827 451 A N 0.264 123.122 122.820 0.064 0.000 1.930 451 A HA 0.202 4.524 4.320 0.003 0.000 0.217 451 A C 1.130 178.667 177.584 -0.079 0.000 1.175 451 A CA 1.394 53.422 52.037 -0.015 0.000 0.627 451 A CB -0.500 18.496 19.000 -0.006 0.000 0.815 451 A HN 0.624 nan 8.150 nan 0.000 0.443 452 A N -0.784 121.991 122.820 -0.075 0.000 2.354 452 A HA 0.681 5.003 4.320 0.003 0.000 0.321 452 A C -2.917 174.550 177.584 -0.196 0.000 1.125 452 A CA -1.989 49.960 52.037 -0.147 0.000 0.799 452 A CB 0.443 19.390 19.000 -0.087 0.000 1.293 452 A HN 0.103 nan 8.150 nan 0.000 0.452 453 P HA 0.130 nan 4.420 nan 0.000 0.268 453 P C -0.621 176.623 177.300 -0.094 0.000 1.205 453 P CA 0.309 63.227 63.100 -0.304 0.000 0.771 453 P CB 0.548 32.084 31.700 -0.274 0.000 0.858 454 D N 1.542 121.932 120.400 -0.018 0.000 2.402 454 D HA 0.135 4.777 4.640 0.003 0.000 0.216 454 D C -0.492 175.883 176.300 0.125 0.000 1.128 454 D CA -0.076 53.964 54.000 0.067 0.000 0.833 454 D CB -0.447 40.455 40.800 0.170 0.000 0.971 454 D HN 0.255 nan 8.370 nan 0.000 0.503 455 F N 0.735 120.614 119.950 -0.118 0.000 2.588 455 F HA 0.529 5.057 4.527 0.003 0.000 0.318 455 F C -2.308 173.398 175.800 -0.156 0.000 1.155 455 F CA -1.295 56.626 58.000 -0.132 0.000 0.967 455 F CB 1.843 40.741 39.000 -0.170 0.000 1.236 455 F HN -0.145 nan 8.300 nan 0.000 0.455 456 L N 7.560 128.433 121.223 -0.583 0.000 2.516 456 L HA 0.761 5.103 4.340 0.003 0.000 0.267 456 L C -1.966 174.484 176.870 -0.701 0.000 0.957 456 L CA -0.492 54.049 54.840 -0.498 0.000 0.860 456 L CB 1.925 43.815 42.059 -0.282 0.000 1.265 456 L HN 0.400 nan 8.230 nan 0.000 0.403 457 V N 4.552 124.057 119.914 -0.683 0.000 2.555 457 V HA 0.574 4.696 4.120 0.003 0.000 0.302 457 V C -0.299 175.455 176.094 -0.567 0.000 1.038 457 V CA -0.827 61.081 62.300 -0.653 0.000 0.887 457 V CB 1.884 33.299 31.823 -0.681 0.000 0.991 457 V HN 0.624 nan 8.190 nan 0.000 0.434 458 K N 5.210 125.166 120.400 -0.740 0.000 2.213 458 K HA 0.670 4.992 4.320 0.003 0.000 0.270 458 K C -1.147 175.051 176.600 -0.669 0.000 1.002 458 K CA -0.384 55.331 56.287 -0.954 0.000 0.868 458 K CB 2.169 33.464 32.500 -2.009 0.000 1.093 458 K HN 0.499 nan 8.250 nan 0.000 0.454 459 I N 2.248 122.574 120.570 -0.406 0.000 2.465 459 I HA 0.178 4.350 4.170 0.003 0.000 0.291 459 I C -0.223 175.880 176.117 -0.023 0.000 1.014 459 I CA -1.242 59.925 61.300 -0.222 0.000 1.093 459 I CB 2.104 39.899 38.000 -0.342 0.000 1.267 459 I HN 0.142 nan 8.210 nan 0.000 0.431 460 V N 5.842 125.806 119.914 0.083 0.000 2.389 460 V HA 0.757 4.879 4.120 0.003 0.000 0.264 460 V C 0.646 176.807 176.094 0.112 0.000 1.049 460 V CA 0.193 62.572 62.300 0.133 0.000 0.932 460 V CB 0.043 31.917 31.823 0.086 0.000 1.011 460 V HN 1.085 nan 8.190 nan 0.000 0.475 461 G N 4.355 113.236 108.800 0.136 0.000 2.392 461 G HA2 -0.030 3.932 3.960 0.003 0.000 0.677 461 G HA3 -0.030 3.932 3.960 0.003 0.000 0.677 461 G C -1.057 173.909 174.900 0.110 0.000 1.334 461 G CA -0.751 44.441 45.100 0.154 0.000 0.961 461 G HN 0.699 nan 8.290 nan 0.000 0.616 462 Q N -0.992 118.838 119.800 0.049 0.000 2.259 462 Q HA 0.642 4.984 4.340 0.003 0.000 0.246 462 Q C -0.415 175.545 176.000 -0.067 0.000 0.920 462 Q CA -0.676 55.001 55.803 -0.209 0.000 0.895 462 Q CB 1.490 30.038 28.738 -0.317 0.000 1.220 462 Q HN 0.688 nan 8.270 nan 0.000 0.439 463 V N 3.103 122.906 119.914 -0.186 0.000 2.588 463 V HA 0.199 4.321 4.120 0.003 0.000 0.304 463 V C -0.875 175.177 176.094 -0.070 0.000 1.042 463 V CA -0.851 61.391 62.300 -0.097 0.000 0.877 463 V CB 1.847 33.500 31.823 -0.283 0.000 0.996 463 V HN 0.771 nan 8.190 nan 0.000 0.425 464 D N 3.208 123.615 120.400 0.011 0.000 2.412 464 D HA 0.205 4.847 4.640 0.003 0.000 0.224 464 D C 0.762 177.093 176.300 0.053 0.000 1.093 464 D CA -0.076 53.923 54.000 -0.001 0.000 0.850 464 D CB 1.965 42.768 40.800 0.005 0.000 1.046 464 D HN 0.268 nan 8.370 nan 0.000 0.507 465 V N 4.497 124.416 119.914 0.009 0.000 2.546 465 V HA -0.261 3.861 4.120 0.003 0.000 0.254 465 V C 1.989 178.066 176.094 -0.029 0.000 1.076 465 V CA 2.605 64.862 62.300 -0.072 0.000 1.087 465 V CB -0.310 31.232 31.823 -0.469 0.000 0.674 465 V HN 0.674 nan 8.190 nan 0.000 0.470 466 A N -0.679 122.131 122.820 -0.018 0.000 2.066 466 A HA -0.077 4.245 4.320 0.003 0.000 0.218 466 A C 2.180 179.797 177.584 0.055 0.000 1.157 466 A CA 2.050 54.092 52.037 0.007 0.000 0.670 466 A CB -0.398 18.600 19.000 -0.004 0.000 0.804 466 A HN 0.732 nan 8.150 nan 0.000 0.453 467 T N -5.408 109.190 114.554 0.074 0.000 2.969 467 T HA 0.123 4.474 4.350 0.003 0.000 0.258 467 T C 0.318 175.073 174.700 0.093 0.000 0.962 467 T CA 0.422 62.568 62.100 0.076 0.000 0.903 467 T CB 0.084 68.979 68.868 0.044 0.000 1.177 467 T HN 0.154 nan 8.240 nan 0.000 0.511 468 D N 0.630 121.086 120.400 0.093 0.000 2.342 468 D HA 0.347 4.989 4.640 0.003 0.000 0.221 468 D C -0.634 175.545 176.300 -0.202 0.000 1.101 468 D CA -0.065 53.931 54.000 -0.006 0.000 0.837 468 D CB 0.058 40.867 40.800 0.016 0.000 0.938 468 D HN 0.399 nan 8.370 nan 0.000 0.508 469 F N 0.062 120.109 119.950 0.161 0.000 2.561 469 F HA 0.498 5.026 4.527 0.003 0.000 0.321 469 F C 0.123 176.042 175.800 0.197 0.000 1.065 469 F CA -1.068 57.059 58.000 0.212 0.000 0.934 469 F CB 1.970 41.111 39.000 0.235 0.000 1.215 469 F HN -0.361 nan 8.300 nan 0.000 0.471 470 I N 3.181 124.002 120.570 0.418 0.000 2.411 470 I HA 0.502 4.674 4.170 0.003 0.000 0.284 470 I C -0.884 175.429 176.117 0.327 0.000 1.012 470 I CA -0.525 60.956 61.300 0.303 0.000 1.119 470 I CB 1.310 39.458 38.000 0.247 0.000 1.261 470 I HN 0.256 nan 8.210 nan 0.000 0.448 471 V N 0.000 120.076 119.914 0.269 0.000 2.409 471 V HA 0.000 4.122 4.120 0.003 0.000 0.244 471 V CA 0.000 62.437 62.300 0.228 0.000 1.235 471 V CB 0.000 31.951 31.823 0.213 0.000 1.184 471 V HN 0.000 nan 8.190 nan 0.000 0.556