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 2cfq_1_A DATA FIRST_RESID 1 DATA SEQUENCE MYYLKNTNFW MFGLFFFFYF FIMGAYFPFF PIWLHDINHI SKSDTGIIFA DATA SEQUENCE AISLFSLLFQ PLFGLLSDKL GLRKYLLWII TGMLVMFAPF FIFIFGPLLQ DATA SEQUENCE YNILVGSIVG GIYLGFCFNA GAPAVEAFIE KVSRRSNFEF GRARMFGCVG DATA SEQUENCE WALGASIVGI MFTINNQFVF WLGSGCALIL AVLLFFAKTD APSSATVANA DATA SEQUENCE VGANHSAFSL KLALELFRQP KLWFLSLYVI GVSCTYDVFD QQFANFFTSF DATA SEQUENCE FATGEQGTRV FGYVTTMGEL LNASIMFFAP LIINRIGGKN ALLLAGTIMS DATA SEQUENCE VRIIGSSFAT SALEVVILKT LHMFEVPFLL VGCFKYITSQ FEVRFSATIY DATA SEQUENCE LVCFCFFKQL AMIFMSVLAG NMYESIGFQG AYLVLGLVAL GFTLISVFTL DATA SEQUENCE SGPGPLSLLR RQVNEVA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.268 176.300 -0.054 0.000 1.140 1 M CA 0.000 55.336 55.300 0.060 0.000 0.988 1 M CB 0.000 32.638 32.600 0.062 0.000 1.302 2 Y N 0.718 120.755 120.300 -0.438 0.000 2.529 2 Y HA 0.226 4.783 4.550 0.011 0.000 0.290 2 Y C 0.428 175.803 175.900 -0.875 0.000 1.177 2 Y CA 0.852 58.547 58.100 -0.674 0.000 1.305 2 Y CB -0.110 37.833 38.460 -0.861 0.000 1.047 2 Y HN 0.426 nan 8.280 nan 0.000 0.522 3 Y N -2.648 117.427 120.300 -0.376 0.000 2.476 3 Y HA 0.169 4.725 4.550 0.010 0.000 0.261 3 Y C 1.744 177.307 175.900 -0.562 0.000 1.077 3 Y CA -0.283 57.402 58.100 -0.692 0.000 1.240 3 Y CB -0.110 37.560 38.460 -1.316 0.000 1.317 3 Y HN -0.071 nan 8.280 nan 0.000 0.540 4 L N 0.488 121.672 121.223 -0.064 0.000 1.997 4 L HA -0.264 4.082 4.340 0.010 0.000 0.216 4 L C 2.510 179.499 176.870 0.198 0.000 1.074 4 L CA 1.638 56.610 54.840 0.220 0.000 0.763 4 L CB -0.243 41.954 42.059 0.230 0.000 0.890 4 L HN 0.085 nan 8.230 nan 0.000 0.434 5 K N -0.100 120.332 120.400 0.054 0.000 2.361 5 K HA -0.013 4.313 4.320 0.010 0.000 0.196 5 K C 0.616 177.207 176.600 -0.015 0.000 1.039 5 K CA 0.037 56.364 56.287 0.066 0.000 1.001 5 K CB -0.256 32.265 32.500 0.036 0.000 0.795 5 K HN 0.148 nan 8.250 nan 0.000 0.495 6 N N 1.658 120.266 118.700 -0.153 0.000 2.427 6 N HA -0.026 4.720 4.740 0.010 0.000 0.269 6 N C 0.227 175.585 175.510 -0.253 0.000 1.235 6 N CA 0.471 53.411 53.050 -0.183 0.000 0.934 6 N CB 1.018 39.365 38.487 -0.232 0.000 1.121 6 N HN -0.048 nan 8.380 nan 0.000 0.480 7 T N 2.732 117.255 114.554 -0.053 0.000 2.809 7 T HA -0.028 4.329 4.350 0.010 0.000 0.260 7 T C 1.263 175.993 174.700 0.051 0.000 1.039 7 T CA 0.781 62.908 62.100 0.046 0.000 1.141 7 T CB -0.023 68.928 68.868 0.138 0.000 0.869 7 T HN 0.505 nan 8.240 nan 0.000 0.437 8 N N 1.068 119.831 118.700 0.105 0.000 2.513 8 N HA -0.013 4.733 4.740 0.010 0.000 0.187 8 N C 1.175 176.573 175.510 -0.187 0.000 1.056 8 N CA 0.303 53.456 53.050 0.171 0.000 0.907 8 N CB -0.415 38.226 38.487 0.258 0.000 0.954 8 N HN 0.323 nan 8.380 nan 0.000 0.445 9 F N -0.415 119.064 119.950 -0.785 0.000 2.098 9 F HA -0.043 4.490 4.527 0.011 0.000 0.294 9 F C 1.783 177.172 175.800 -0.685 0.000 1.107 9 F CA 1.127 58.271 58.000 -1.427 0.000 1.234 9 F CB -0.588 37.632 39.000 -1.301 0.000 1.002 9 F HN 0.072 nan 8.300 nan 0.000 0.472 10 W N 0.075 121.130 121.300 -0.407 0.000 2.332 10 W HA -0.307 4.359 4.660 0.010 0.000 0.321 10 W C 2.471 178.784 176.519 -0.342 0.000 1.219 10 W CA 0.577 57.706 57.345 -0.360 0.000 1.277 10 W CB -0.601 28.817 29.460 -0.069 0.000 1.161 10 W HN -0.020 nan 8.180 nan 0.000 0.476 11 M N -0.447 119.216 119.600 0.104 0.000 2.352 11 M HA -0.254 4.232 4.480 0.010 0.000 0.260 11 M C 1.870 178.079 176.300 -0.151 0.000 1.068 11 M CA 1.978 57.294 55.300 0.027 0.000 1.082 11 M CB -2.004 30.703 32.600 0.180 0.000 1.262 11 M HN 0.040 nan 8.290 nan 0.000 0.444 12 F N -0.266 119.518 119.950 -0.277 0.000 2.558 12 F HA 0.073 4.607 4.527 0.010 0.000 0.298 12 F C 2.465 178.036 175.800 -0.382 0.000 1.119 12 F CA 0.885 58.711 58.000 -0.289 0.000 1.451 12 F CB -1.307 37.552 39.000 -0.235 0.000 1.091 12 F HN 0.225 nan 8.300 nan 0.000 0.563 13 G N -0.083 108.373 108.800 -0.573 0.000 2.404 13 G HA2 -0.124 3.842 3.960 0.010 0.000 0.213 13 G HA3 -0.124 3.842 3.960 0.010 0.000 0.213 13 G C 1.768 176.478 174.900 -0.317 0.000 1.189 13 G CA 0.262 44.734 45.100 -1.047 0.000 0.796 13 G HN 0.272 nan 8.290 nan 0.000 0.532 14 L N -0.480 120.651 121.223 -0.153 0.000 2.083 14 L HA -0.001 4.345 4.340 0.010 0.000 0.209 14 L C 2.563 179.362 176.870 -0.119 0.000 1.083 14 L CA 0.918 55.763 54.840 0.008 0.000 0.752 14 L CB -0.320 41.655 42.059 -0.140 0.000 0.899 14 L HN 0.283 nan 8.230 nan 0.000 0.433 15 F N -0.416 119.410 119.950 -0.208 0.000 2.269 15 F HA -0.245 4.288 4.527 0.010 0.000 0.301 15 F C 2.072 177.961 175.800 0.149 0.000 1.082 15 F CA 1.381 59.303 58.000 -0.129 0.000 1.360 15 F CB -0.203 38.556 39.000 -0.401 0.000 1.041 15 F HN -0.062 nan 8.300 nan 0.000 0.512 16 F N -1.566 118.452 119.950 0.112 0.000 2.293 16 F HA -0.132 4.401 4.527 0.010 0.000 0.297 16 F C 1.902 177.825 175.800 0.205 0.000 1.089 16 F CA 0.041 58.104 58.000 0.104 0.000 1.377 16 F CB -0.189 38.831 39.000 0.033 0.000 1.051 16 F HN 0.045 nan 8.300 nan 0.000 0.511 17 F N -0.641 119.485 119.950 0.294 0.000 2.811 17 F HA -0.014 4.519 4.527 0.011 0.000 0.301 17 F C 0.858 176.973 175.800 0.525 0.000 1.151 17 F CA 0.661 58.831 58.000 0.284 0.000 1.412 17 F CB -0.317 38.755 39.000 0.121 0.000 1.113 17 F HN -0.139 nan 8.300 nan 0.000 0.579 18 F N -1.806 118.121 119.950 -0.038 0.000 2.592 18 F HA 0.128 4.661 4.527 0.010 0.000 0.280 18 F C 1.884 177.644 175.800 -0.067 0.000 1.083 18 F CA -0.066 57.834 58.000 -0.166 0.000 1.365 18 F CB -1.518 37.386 39.000 -0.161 0.000 1.100 18 F HN -0.016 nan 8.300 nan 0.000 0.633 19 Y N -0.613 119.709 120.300 0.037 0.000 2.421 19 Y HA -0.130 4.426 4.550 0.010 0.000 0.292 19 Y C 1.387 177.463 175.900 0.293 0.000 1.136 19 Y CA 1.427 59.533 58.100 0.010 0.000 1.255 19 Y CB -0.412 38.028 38.460 -0.033 0.000 0.991 19 Y HN -0.081 nan 8.280 nan 0.000 0.552 20 F N -1.965 118.021 119.950 0.059 0.000 2.695 20 F HA 0.129 4.662 4.527 0.010 0.000 0.303 20 F C 1.305 177.224 175.800 0.199 0.000 1.091 20 F CA -0.409 57.652 58.000 0.103 0.000 1.300 20 F CB -0.452 38.652 39.000 0.174 0.000 1.071 20 F HN 0.080 nan 8.300 nan 0.000 0.578 21 F N -0.236 119.736 119.950 0.036 0.000 2.446 21 F HA 0.152 4.685 4.527 0.010 0.000 0.292 21 F C 1.929 177.670 175.800 -0.098 0.000 1.096 21 F CA 0.926 58.886 58.000 -0.066 0.000 1.438 21 F CB -0.211 38.631 39.000 -0.263 0.000 1.107 21 F HN -0.131 nan 8.300 nan 0.000 0.546 22 I N -0.577 119.890 120.570 -0.172 0.000 2.286 22 I HA -0.288 3.888 4.170 0.010 0.000 0.245 22 I C 2.346 178.330 176.117 -0.222 0.000 1.104 22 I CA 1.113 62.229 61.300 -0.307 0.000 1.397 22 I CB -0.277 37.480 38.000 -0.406 0.000 1.072 22 I HN 0.168 nan 8.210 nan 0.000 0.417 23 M N 0.906 120.410 119.600 -0.158 0.000 2.073 23 M HA -0.166 4.320 4.480 0.010 0.000 0.258 23 M C 2.075 178.504 176.300 0.215 0.000 1.070 23 M CA 2.210 57.519 55.300 0.016 0.000 1.103 23 M CB -0.902 31.515 32.600 -0.304 0.000 1.321 23 M HN 0.215 nan 8.290 nan 0.000 0.405 24 G N -1.277 107.611 108.800 0.147 0.000 2.564 24 G HA2 0.053 4.019 3.960 0.010 0.000 0.216 24 G HA3 0.053 4.019 3.960 0.010 0.000 0.216 24 G C 1.079 175.806 174.900 -0.288 0.000 1.124 24 G CA 1.038 45.941 45.100 -0.328 0.000 0.764 24 G HN 0.660 nan 8.290 nan 0.000 0.550 25 A N 0.178 122.883 122.820 -0.191 0.000 2.453 25 A HA 0.334 4.660 4.320 0.010 0.000 0.225 25 A C 1.881 179.446 177.584 -0.032 0.000 2.127 25 A CA 0.784 52.742 52.037 -0.132 0.000 0.864 25 A CB -0.927 17.927 19.000 -0.244 0.000 1.440 25 A HN 0.337 nan 8.150 nan 0.000 0.566 26 Y N -0.550 119.655 120.300 -0.157 0.000 2.215 26 Y HA -0.324 4.232 4.550 0.011 0.000 0.282 26 Y C 1.813 177.658 175.900 -0.092 0.000 1.207 26 Y CA 2.472 60.479 58.100 -0.155 0.000 1.196 26 Y CB -0.365 37.846 38.460 -0.416 0.000 0.969 26 Y HN 0.304 nan 8.280 nan 0.000 0.528 27 F N 1.014 120.762 119.950 -0.337 0.000 2.164 27 F HA 0.096 4.629 4.527 0.010 0.000 0.287 27 F C -0.391 175.249 175.800 -0.267 0.000 1.086 27 F CA 0.675 58.458 58.000 -0.361 0.000 1.249 27 F CB -1.330 37.724 39.000 0.090 0.000 1.059 27 F HN -0.024 nan 8.300 nan 0.000 0.490 28 P HA -0.144 nan 4.420 nan 0.000 0.219 28 P C 0.915 177.880 177.300 -0.558 0.000 1.150 28 P CA 1.593 64.405 63.100 -0.480 0.000 0.814 28 P CB -0.295 30.892 31.700 -0.856 0.000 0.787 29 F N -2.327 117.518 119.950 -0.175 0.000 2.645 29 F HA 0.209 4.742 4.527 0.010 0.000 0.300 29 F C 1.930 177.655 175.800 -0.125 0.000 1.115 29 F CA -0.569 57.279 58.000 -0.253 0.000 1.355 29 F CB -0.912 37.680 39.000 -0.680 0.000 1.026 29 F HN -0.222 nan 8.300 nan 0.000 0.536 30 F N 2.833 122.666 119.950 -0.195 0.000 2.051 30 F HA -0.023 4.510 4.527 0.010 0.000 0.296 30 F C -0.568 175.351 175.800 0.199 0.000 1.122 30 F CA 0.772 58.729 58.000 -0.072 0.000 1.201 30 F CB -1.710 37.050 39.000 -0.400 0.000 0.978 30 F HN -0.086 nan 8.300 nan 0.000 0.472 31 P HA -0.247 nan 4.420 nan 0.000 0.216 31 P C 1.945 179.294 177.300 0.082 0.000 1.167 31 P CA 2.214 65.332 63.100 0.030 0.000 0.914 31 P CB -0.067 31.608 31.700 -0.042 0.000 0.793 32 I N -2.058 118.589 120.570 0.128 0.000 2.053 32 I HA -0.244 3.932 4.170 0.010 0.000 0.236 32 I C 2.386 178.729 176.117 0.377 0.000 1.038 32 I CA 1.447 62.903 61.300 0.260 0.000 1.304 32 I CB -1.704 36.505 38.000 0.348 0.000 1.023 32 I HN 0.074 nan 8.210 nan 0.000 0.395 33 W N 0.976 122.461 121.300 0.308 0.000 2.318 33 W HA -0.228 4.438 4.660 0.010 0.000 0.313 33 W C 2.319 178.887 176.519 0.082 0.000 1.221 33 W CA 1.731 59.302 57.345 0.377 0.000 1.266 33 W CB -0.434 29.357 29.460 0.552 0.000 1.150 33 W HN 0.042 nan 8.180 nan 0.000 0.496 34 L N -0.435 120.879 121.223 0.152 0.000 1.908 34 L HA -0.386 3.960 4.340 0.010 0.000 0.227 34 L C 2.997 179.667 176.870 -0.334 0.000 1.087 34 L CA 2.181 56.847 54.840 -0.289 0.000 0.797 34 L CB -1.741 40.186 42.059 -0.221 0.000 0.893 34 L HN 0.195 nan 8.230 nan 0.000 0.432 35 H N -0.150 118.795 119.070 -0.208 0.000 2.357 35 H HA -0.207 4.355 4.556 0.010 0.000 0.296 35 H C 1.599 176.794 175.328 -0.223 0.000 1.108 35 H CA 2.579 58.532 56.048 -0.159 0.000 1.273 35 H CB 0.059 29.786 29.762 -0.060 0.000 1.367 35 H HN 0.458 nan 8.280 nan 0.000 0.498 36 D N -0.101 120.172 120.400 -0.212 0.000 2.297 36 D HA -0.006 4.640 4.640 0.010 0.000 0.233 36 D C 2.481 178.329 176.300 -0.753 0.000 1.056 36 D CA 0.811 54.598 54.000 -0.354 0.000 0.938 36 D CB -0.365 40.420 40.800 -0.025 0.000 1.048 36 D HN 0.221 nan 8.370 nan 0.000 0.442 37 I N 1.369 121.628 120.570 -0.518 0.000 2.236 37 I HA -0.248 3.928 4.170 0.010 0.000 0.249 37 I C 1.611 177.209 176.117 -0.866 0.000 1.102 37 I CA 1.340 62.266 61.300 -0.623 0.000 1.365 37 I CB -0.308 37.389 38.000 -0.504 0.000 1.051 37 I HN 0.098 nan 8.210 nan 0.000 0.420 38 N N -1.409 116.723 118.700 -0.948 0.000 2.322 38 N HA 0.001 4.747 4.740 0.010 0.000 0.181 38 N C -0.508 174.699 175.510 -0.506 0.000 1.088 38 N CA 0.142 52.746 53.050 -0.743 0.000 0.885 38 N CB 0.159 38.142 38.487 -0.840 0.000 1.013 38 N HN 0.348 nan 8.380 nan 0.000 0.472 39 H N 0.365 119.203 119.070 -0.387 0.000 3.074 39 H HA -0.108 4.454 4.556 0.010 0.000 0.321 39 H C -0.415 174.747 175.328 -0.277 0.000 0.981 39 H CA 0.600 56.421 56.048 -0.378 0.000 1.019 39 H CB -1.777 27.808 29.762 -0.295 0.000 1.593 39 H HN 0.247 nan 8.280 nan 0.000 0.355 40 I N 0.607 121.082 120.570 -0.158 0.000 2.545 40 I HA 0.158 4.335 4.170 0.010 0.000 0.292 40 I C 0.823 176.966 176.117 0.043 0.000 1.040 40 I CA -0.797 60.466 61.300 -0.062 0.000 1.068 40 I CB 2.056 39.999 38.000 -0.096 0.000 1.251 40 I HN 0.369 nan 8.210 nan 0.000 0.424 41 S N 3.638 119.358 115.700 0.034 0.000 2.931 41 S HA -0.134 4.342 4.470 0.010 0.000 0.342 41 S C 1.198 175.867 174.600 0.114 0.000 1.220 41 S CA 0.235 58.473 58.200 0.063 0.000 1.045 41 S CB 0.083 63.309 63.200 0.043 0.000 0.758 41 S HN 0.692 nan 8.310 nan 0.000 0.508 42 K N 2.961 123.438 120.400 0.128 0.000 2.520 42 K HA -0.079 4.247 4.320 0.010 0.000 0.197 42 K C 1.629 178.367 176.600 0.230 0.000 1.043 42 K CA 1.421 57.813 56.287 0.174 0.000 0.944 42 K CB -0.087 32.476 32.500 0.105 0.000 0.770 42 K HN 0.679 nan 8.250 nan 0.000 0.480 43 S N -1.986 113.807 115.700 0.154 0.000 2.604 43 S HA 0.098 4.574 4.470 0.010 0.000 0.235 43 S C 0.559 175.225 174.600 0.111 0.000 1.043 43 S CA -0.362 57.918 58.200 0.134 0.000 0.997 43 S CB 0.338 63.589 63.200 0.085 0.000 0.956 43 S HN 0.129 nan 8.310 nan 0.000 0.535 44 D N 2.511 122.975 120.400 0.106 0.000 2.349 44 D HA 0.128 4.775 4.640 0.010 0.000 0.214 44 D C 1.555 177.936 176.300 0.134 0.000 1.063 44 D CA 1.040 55.099 54.000 0.098 0.000 0.847 44 D CB 0.286 41.123 40.800 0.063 0.000 0.933 44 D HN 0.676 nan 8.370 nan 0.000 0.513 45 T N -3.154 111.500 114.554 0.166 0.000 3.081 45 T HA 0.095 4.452 4.350 0.010 0.000 0.255 45 T C 1.995 176.886 174.700 0.318 0.000 1.113 45 T CA 0.535 62.774 62.100 0.232 0.000 1.082 45 T CB 0.134 69.118 68.868 0.192 0.000 0.939 45 T HN 0.082 nan 8.240 nan 0.000 0.506 46 G N 1.704 110.636 108.800 0.220 0.000 2.408 46 G HA2 0.047 4.013 3.960 0.010 0.000 0.215 46 G HA3 0.047 4.013 3.960 0.010 0.000 0.215 46 G C 1.217 176.240 174.900 0.204 0.000 1.156 46 G CA 0.048 45.267 45.100 0.199 0.000 0.793 46 G HN 0.457 nan 8.290 nan 0.000 0.535 47 I N 0.913 121.585 120.570 0.169 0.000 3.444 47 I HA 0.204 4.380 4.170 0.010 0.000 0.287 47 I C 1.854 178.087 176.117 0.194 0.000 1.302 47 I CA 0.359 61.745 61.300 0.144 0.000 1.368 47 I CB -0.556 37.504 38.000 0.101 0.000 1.048 47 I HN 0.224 nan 8.210 nan 0.000 0.487 48 I N -1.583 119.153 120.570 0.276 0.000 3.132 48 I HA -0.056 4.120 4.170 0.010 0.000 0.255 48 I C 1.860 178.184 176.117 0.344 0.000 1.118 48 I CA 0.506 62.003 61.300 0.328 0.000 1.463 48 I CB -0.307 37.922 38.000 0.381 0.000 1.356 48 I HN -0.133 nan 8.210 nan 0.000 0.463 49 F N 1.694 121.811 119.950 0.278 0.000 2.408 49 F HA -0.130 4.404 4.527 0.011 0.000 0.300 49 F C 2.378 178.293 175.800 0.191 0.000 1.090 49 F CA 1.178 59.336 58.000 0.264 0.000 1.427 49 F CB -0.398 38.733 39.000 0.219 0.000 1.070 49 F HN 0.034 nan 8.300 nan 0.000 0.549 50 A N -0.277 122.735 122.820 0.320 0.000 1.855 50 A HA 0.085 4.411 4.320 0.010 0.000 0.213 50 A C 2.365 180.020 177.584 0.119 0.000 1.195 50 A CA 1.213 53.367 52.037 0.196 0.000 0.610 50 A CB -1.198 17.890 19.000 0.146 0.000 0.837 50 A HN 0.230 nan 8.150 nan 0.000 0.444 51 A N -0.417 122.473 122.820 0.116 0.000 2.067 51 A HA 0.047 4.373 4.320 0.010 0.000 0.219 51 A C 1.949 179.584 177.584 0.084 0.000 1.158 51 A CA 1.153 53.211 52.037 0.035 0.000 0.661 51 A CB -0.452 18.632 19.000 0.140 0.000 0.801 51 A HN 0.399 nan 8.150 nan 0.000 0.452 52 I N -0.088 120.578 120.570 0.160 0.000 2.142 52 I HA -0.174 4.002 4.170 0.010 0.000 0.240 52 I C 2.545 178.758 176.117 0.160 0.000 1.078 52 I CA 1.794 63.199 61.300 0.175 0.000 1.343 52 I CB -1.283 36.788 38.000 0.117 0.000 1.046 52 I HN 0.238 nan 8.210 nan 0.000 0.405 53 S N 0.729 116.511 115.700 0.137 0.000 2.402 53 S HA -0.116 4.361 4.470 0.010 0.000 0.229 53 S C 1.968 176.578 174.600 0.016 0.000 1.021 53 S CA 0.788 59.052 58.200 0.107 0.000 0.974 53 S CB -0.386 62.890 63.200 0.126 0.000 0.800 53 S HN 0.455 nan 8.310 nan 0.000 0.484 54 L N -0.058 121.109 121.223 -0.093 0.000 2.265 54 L HA 0.001 4.347 4.340 0.010 0.000 0.215 54 L C 1.429 178.069 176.870 -0.384 0.000 1.117 54 L CA 1.619 56.306 54.840 -0.256 0.000 0.782 54 L CB -0.202 41.614 42.059 -0.404 0.000 0.914 54 L HN 0.156 nan 8.230 nan 0.000 0.441 55 F N -0.769 119.176 119.950 -0.008 0.000 2.505 55 F HA 0.103 4.636 4.527 0.010 0.000 0.289 55 F C 2.714 178.364 175.800 -0.249 0.000 1.101 55 F CA 0.644 58.526 58.000 -0.197 0.000 1.446 55 F CB -0.866 38.105 39.000 -0.048 0.000 1.123 55 F HN 0.192 nan 8.300 nan 0.000 0.564 56 S N 0.748 116.545 115.700 0.162 0.000 2.537 56 S HA -0.114 4.362 4.470 0.010 0.000 0.240 56 S C 1.715 176.382 174.600 0.112 0.000 0.981 56 S CA 0.985 59.283 58.200 0.164 0.000 0.948 56 S CB -0.885 62.413 63.200 0.165 0.000 0.759 56 S HN 0.574 nan 8.310 nan 0.000 0.531 57 L N -1.566 119.699 121.223 0.070 0.000 2.556 57 L HA 0.465 4.812 4.340 0.010 0.000 0.226 57 L C 1.451 178.387 176.870 0.111 0.000 1.089 57 L CA 0.319 55.221 54.840 0.102 0.000 0.864 57 L CB -0.069 42.039 42.059 0.082 0.000 1.067 57 L HN 0.239 nan 8.230 nan 0.000 0.477 58 L N -0.842 120.378 121.223 -0.006 0.000 2.585 58 L HA 0.156 4.502 4.340 0.010 0.000 0.226 58 L C 1.420 178.385 176.870 0.159 0.000 1.113 58 L CA 0.087 54.929 54.840 0.004 0.000 0.876 58 L CB 0.136 42.129 42.059 -0.109 0.000 1.072 58 L HN 0.224 nan 8.230 nan 0.000 0.468 59 F N -1.122 118.981 119.950 0.255 0.000 2.557 59 F HA 0.114 4.646 4.527 0.010 0.000 0.278 59 F C 2.435 178.304 175.800 0.115 0.000 1.051 59 F CA -0.323 57.806 58.000 0.214 0.000 1.357 59 F CB -0.658 38.356 39.000 0.024 0.000 1.104 59 F HN -0.115 nan 8.300 nan 0.000 0.654 60 Q N 0.459 120.373 119.800 0.191 0.000 2.173 60 Q HA -0.201 4.146 4.340 0.010 0.000 0.208 60 Q C -0.800 175.328 176.000 0.213 0.000 0.989 60 Q CA 2.048 57.921 55.803 0.118 0.000 0.872 60 Q CB -1.267 27.540 28.738 0.115 0.000 0.909 60 Q HN 0.316 nan 8.270 nan 0.000 0.420 61 P HA -0.149 nan 4.420 nan 0.000 0.206 61 P C 1.421 178.907 177.300 0.310 0.000 1.212 61 P CA 0.672 63.933 63.100 0.269 0.000 0.919 61 P CB -0.317 31.535 31.700 0.254 0.000 0.755 62 L N -1.907 119.519 121.223 0.338 0.000 2.302 62 L HA -0.208 4.138 4.340 0.010 0.000 0.218 62 L C 1.658 178.664 176.870 0.226 0.000 1.100 62 L CA 1.693 56.701 54.840 0.281 0.000 0.774 62 L CB -0.694 41.556 42.059 0.320 0.000 0.896 62 L HN -0.129 nan 8.230 nan 0.000 0.439 63 F N 0.206 120.209 119.950 0.087 0.000 2.780 63 F HA 0.140 4.673 4.527 0.010 0.000 0.299 63 F C 2.201 178.023 175.800 0.036 0.000 1.146 63 F CA 0.750 58.759 58.000 0.016 0.000 1.428 63 F CB -0.218 38.764 39.000 -0.029 0.000 1.115 63 F HN 0.136 nan 8.300 nan 0.000 0.583 64 G N -0.063 108.871 108.800 0.224 0.000 2.447 64 G HA2 -0.081 3.885 3.960 0.010 0.000 0.211 64 G HA3 -0.081 3.885 3.960 0.010 0.000 0.211 64 G C 1.638 176.623 174.900 0.142 0.000 1.184 64 G CA 0.157 45.354 45.100 0.160 0.000 0.813 64 G HN 0.262 nan 8.290 nan 0.000 0.540 65 L N -0.095 121.222 121.223 0.157 0.000 2.351 65 L HA -0.057 4.289 4.340 0.010 0.000 0.220 65 L C 2.579 179.472 176.870 0.038 0.000 1.127 65 L CA 0.521 55.426 54.840 0.109 0.000 0.786 65 L CB -0.525 41.590 42.059 0.093 0.000 0.914 65 L HN 0.186 nan 8.230 nan 0.000 0.443 66 L N -1.414 119.807 121.223 -0.003 0.000 2.276 66 L HA 0.027 4.373 4.340 0.010 0.000 0.194 66 L C 2.576 179.436 176.870 -0.017 0.000 1.099 66 L CA 0.495 55.299 54.840 -0.060 0.000 0.800 66 L CB -0.561 41.382 42.059 -0.193 0.000 0.994 66 L HN -0.074 nan 8.230 nan 0.000 0.475 67 S N -0.060 115.646 115.700 0.011 0.000 2.448 67 S HA -0.270 4.206 4.470 0.010 0.000 0.247 67 S C 0.911 175.515 174.600 0.007 0.000 1.033 67 S CA 2.155 60.381 58.200 0.045 0.000 1.003 67 S CB -0.393 62.848 63.200 0.069 0.000 0.786 67 S HN 0.517 nan 8.310 nan 0.000 0.495 68 D N -0.983 119.419 120.400 0.004 0.000 2.526 68 D HA 0.074 4.720 4.640 0.010 0.000 0.293 68 D C 1.431 177.743 176.300 0.020 0.000 1.081 68 D CA 0.085 54.072 54.000 -0.023 0.000 0.924 68 D CB -0.071 40.697 40.800 -0.053 0.000 1.498 68 D HN 0.244 nan 8.370 nan 0.000 0.497 69 K N 1.297 121.724 120.400 0.045 0.000 2.585 69 K HA 0.003 4.329 4.320 0.010 0.000 0.194 69 K C 1.145 177.731 176.600 -0.023 0.000 1.037 69 K CA 0.677 56.980 56.287 0.026 0.000 0.964 69 K CB 0.194 32.706 32.500 0.019 0.000 0.787 69 K HN 0.241 nan 8.250 nan 0.000 0.488 70 L N -0.991 120.214 121.223 -0.030 0.000 2.642 70 L HA 0.182 4.528 4.340 0.010 0.000 0.233 70 L C 1.240 178.079 176.870 -0.051 0.000 1.077 70 L CA 0.682 55.487 54.840 -0.059 0.000 0.879 70 L CB -0.006 42.029 42.059 -0.040 0.000 1.151 70 L HN 0.533 nan 8.230 nan 0.000 0.495 71 G N 1.117 109.888 108.800 -0.048 0.000 2.686 71 G HA2 -0.433 3.533 3.960 0.010 0.000 0.329 71 G HA3 -0.433 3.533 3.960 0.010 0.000 0.329 71 G C 0.527 175.350 174.900 -0.128 0.000 1.187 71 G CA 0.741 45.784 45.100 -0.095 0.000 0.965 71 G HN 0.209 nan 8.290 nan 0.000 0.549 72 L N 1.793 122.934 121.223 -0.136 0.000 2.607 72 L HA 0.455 4.801 4.340 0.010 0.000 0.228 72 L C 1.288 178.196 176.870 0.063 0.000 1.123 72 L CA 0.223 54.957 54.840 -0.176 0.000 0.890 72 L CB 0.007 41.942 42.059 -0.206 0.000 1.103 72 L HN 0.374 nan 8.230 nan 0.000 0.468 73 R N -0.418 120.157 120.500 0.126 0.000 2.340 73 R HA 0.134 4.480 4.340 0.010 0.000 0.300 73 R C 1.181 177.752 176.300 0.452 0.000 1.069 73 R CA 0.047 56.294 56.100 0.245 0.000 0.984 73 R CB 0.247 30.573 30.300 0.044 0.000 1.003 73 R HN -0.068 nan 8.270 nan 0.000 0.459 74 K N 2.316 122.963 120.400 0.411 0.000 2.365 74 K HA -0.066 4.260 4.320 0.010 0.000 0.199 74 K C 0.608 177.252 176.600 0.073 0.000 1.045 74 K CA 0.627 57.007 56.287 0.154 0.000 0.962 74 K CB -0.238 32.279 32.500 0.030 0.000 0.759 74 K HN 0.420 nan 8.250 nan 0.000 0.469 75 Y N 1.051 121.301 120.300 -0.083 0.000 1.532 75 Y HA -0.423 4.133 4.550 0.010 0.000 0.133 75 Y C 2.132 178.039 175.900 0.011 0.000 0.843 75 Y CA 1.755 59.826 58.100 -0.049 0.000 0.658 75 Y CB -1.487 36.949 38.460 -0.040 0.000 0.626 75 Y HN 0.051 nan 8.280 nan 0.000 0.687 76 L N 0.011 121.337 121.223 0.171 0.000 2.040 76 L HA -0.296 4.051 4.340 0.010 0.000 0.228 76 L C 2.346 179.233 176.870 0.027 0.000 1.092 76 L CA 2.417 57.270 54.840 0.023 0.000 0.805 76 L CB -0.801 41.210 42.059 -0.079 0.000 0.905 76 L HN 0.515 nan 8.230 nan 0.000 0.443 77 L N -2.174 119.053 121.223 0.008 0.000 2.642 77 L HA -0.193 4.153 4.340 0.010 0.000 0.236 77 L C 1.556 178.403 176.870 -0.038 0.000 1.169 77 L CA 0.804 55.617 54.840 -0.046 0.000 0.851 77 L CB -0.290 41.629 42.059 -0.233 0.000 0.968 77 L HN 0.458 nan 8.230 nan 0.000 0.453 78 W N -1.033 120.100 121.300 -0.278 0.000 2.996 78 W HA 0.152 4.818 4.660 0.010 0.000 0.270 78 W C 1.843 178.239 176.519 -0.204 0.000 1.280 78 W CA -0.100 57.029 57.345 -0.361 0.000 1.549 78 W CB 0.224 29.445 29.460 -0.399 0.000 1.079 78 W HN 0.111 nan 8.180 nan 0.000 0.629 79 I N -0.021 120.570 120.570 0.035 0.000 2.277 79 I HA -0.198 3.978 4.170 0.010 0.000 0.243 79 I C 2.243 178.366 176.117 0.010 0.000 1.094 79 I CA 1.269 62.582 61.300 0.021 0.000 1.393 79 I CB -1.093 36.974 38.000 0.113 0.000 1.078 79 I HN -0.182 nan 8.210 nan 0.000 0.417 80 I N 0.305 120.934 120.570 0.098 0.000 2.113 80 I HA -0.440 3.736 4.170 0.010 0.000 0.242 80 I C 2.677 178.765 176.117 -0.048 0.000 1.064 80 I CA 2.350 63.722 61.300 0.121 0.000 1.320 80 I CB -0.684 37.371 38.000 0.092 0.000 1.028 80 I HN 0.416 nan 8.210 nan 0.000 0.406 81 T N -1.508 112.959 114.554 -0.146 0.000 2.701 81 T HA -0.085 4.271 4.350 0.010 0.000 0.263 81 T C 2.049 176.580 174.700 -0.282 0.000 1.040 81 T CA 1.149 63.111 62.100 -0.231 0.000 1.147 81 T CB -1.287 67.355 68.868 -0.377 0.000 0.865 81 T HN 0.417 nan 8.240 nan 0.000 0.426 82 G N 0.969 109.555 108.800 -0.357 0.000 2.442 82 G HA2 -0.192 3.775 3.960 0.010 0.000 0.219 82 G HA3 -0.192 3.775 3.960 0.010 0.000 0.219 82 G C 1.617 176.397 174.900 -0.199 0.000 1.141 82 G CA 0.975 45.893 45.100 -0.304 0.000 0.763 82 G HN 0.560 nan 8.290 nan 0.000 0.554 83 M N -0.021 119.472 119.600 -0.177 0.000 2.460 83 M HA 0.184 4.670 4.480 0.010 0.000 0.263 83 M C 1.233 177.447 176.300 -0.142 0.000 1.071 83 M CA 0.975 56.173 55.300 -0.171 0.000 1.096 83 M CB 0.014 32.490 32.600 -0.207 0.000 1.408 83 M HN 0.110 nan 8.290 nan 0.000 0.463 84 L N -0.104 121.024 121.223 -0.157 0.000 2.791 84 L HA 0.105 4.451 4.340 0.010 0.000 0.239 84 L C 1.051 177.840 176.870 -0.135 0.000 1.203 84 L CA -0.340 54.406 54.840 -0.158 0.000 1.002 84 L CB 0.221 42.129 42.059 -0.252 0.000 1.295 84 L HN 0.120 nan 8.230 nan 0.000 0.504 85 V N -0.819 119.018 119.914 -0.129 0.000 3.471 85 V HA 0.013 4.139 4.120 0.010 0.000 0.258 85 V C 1.828 177.852 176.094 -0.116 0.000 1.192 85 V CA 0.601 62.820 62.300 -0.134 0.000 1.116 85 V CB 0.219 31.953 31.823 -0.147 0.000 0.792 85 V HN 0.409 nan 8.190 nan 0.000 0.459 86 M N -1.038 118.528 119.600 -0.056 0.000 2.383 86 M HA 0.252 4.739 4.480 0.010 0.000 0.247 86 M C 1.657 178.042 176.300 0.143 0.000 1.117 86 M CA -0.027 55.270 55.300 -0.005 0.000 0.995 86 M CB -0.917 31.703 32.600 0.033 0.000 1.480 86 M HN 0.310 nan 8.290 nan 0.000 0.485 87 F N 2.553 122.468 119.950 -0.058 0.000 2.063 87 F HA -0.339 4.194 4.527 0.010 0.000 0.297 87 F C 2.175 178.036 175.800 0.102 0.000 1.099 87 F CA 1.867 59.867 58.000 0.000 0.000 1.220 87 F CB -0.656 38.215 39.000 -0.216 0.000 0.972 87 F HN 0.235 nan 8.300 nan 0.000 0.487 88 A N 0.353 123.068 122.820 -0.175 0.000 1.848 88 A HA -0.148 4.179 4.320 0.010 0.000 0.211 88 A C 0.048 177.602 177.584 -0.051 0.000 1.225 88 A CA 2.052 53.867 52.037 -0.370 0.000 0.637 88 A CB -2.195 15.949 19.000 -1.426 0.000 0.867 88 A HN 0.317 nan 8.150 nan 0.000 0.463 89 P HA -0.260 nan 4.420 nan 0.000 0.226 89 P C 1.401 178.819 177.300 0.197 0.000 1.154 89 P CA 1.971 65.001 63.100 -0.118 0.000 0.918 89 P CB -0.218 31.425 31.700 -0.095 0.000 0.790 90 F N -1.161 118.902 119.950 0.189 0.000 2.026 90 F HA -0.216 4.317 4.527 0.010 0.000 0.296 90 F C 2.097 178.163 175.800 0.444 0.000 1.133 90 F CA 1.690 59.873 58.000 0.305 0.000 1.188 90 F CB -1.058 38.130 39.000 0.313 0.000 0.968 90 F HN -0.217 nan 8.300 nan 0.000 0.476 91 F N 0.305 120.344 119.950 0.148 0.000 2.075 91 F HA -0.161 4.373 4.527 0.011 0.000 0.297 91 F C 2.219 178.125 175.800 0.175 0.000 1.113 91 F CA 1.201 59.308 58.000 0.178 0.000 1.218 91 F CB -1.466 37.621 39.000 0.145 0.000 0.984 91 F HN -0.067 nan 8.300 nan 0.000 0.472 92 I N -0.681 120.103 120.570 0.356 0.000 2.091 92 I HA -0.294 3.882 4.170 0.010 0.000 0.239 92 I C 1.959 178.382 176.117 0.510 0.000 1.061 92 I CA 1.648 63.176 61.300 0.381 0.000 1.317 92 I CB -1.091 37.190 38.000 0.469 0.000 1.031 92 I HN -0.050 nan 8.210 nan 0.000 0.401 93 F N -1.040 118.972 119.950 0.103 0.000 2.727 93 F HA 0.280 4.813 4.527 0.010 0.000 0.302 93 F C 1.621 177.432 175.800 0.020 0.000 1.097 93 F CA 0.150 58.190 58.000 0.067 0.000 1.330 93 F CB -0.236 38.825 39.000 0.102 0.000 1.084 93 F HN -0.006 nan 8.300 nan 0.000 0.578 94 I N -3.562 117.075 120.570 0.112 0.000 4.199 94 I HA -0.017 4.159 4.170 0.010 0.000 0.280 94 I C 1.603 177.635 176.117 -0.140 0.000 1.122 94 I CA 0.132 61.415 61.300 -0.028 0.000 1.318 94 I CB -0.352 37.617 38.000 -0.052 0.000 1.737 94 I HN -0.190 nan 8.210 nan 0.000 0.428 95 F N 2.734 122.254 119.950 -0.717 0.000 2.060 95 F HA 0.057 4.590 4.527 0.010 0.000 0.295 95 F C 2.265 178.006 175.800 -0.099 0.000 1.120 95 F CA 1.979 59.600 58.000 -0.631 0.000 1.205 95 F CB -1.043 37.269 39.000 -1.147 0.000 0.986 95 F HN 0.037 nan 8.300 nan 0.000 0.470 96 G N 0.667 109.487 108.800 0.032 0.000 2.553 96 G HA2 -0.266 3.701 3.960 0.010 0.000 0.218 96 G HA3 -0.266 3.701 3.960 0.010 0.000 0.218 96 G C -0.652 174.180 174.900 -0.113 0.000 1.195 96 G CA 1.142 46.249 45.100 0.012 0.000 0.779 96 G HN 0.304 nan 8.290 nan 0.000 0.577 97 P HA -0.063 nan 4.420 nan 0.000 0.211 97 P C 2.232 179.552 177.300 0.033 0.000 1.179 97 P CA 0.712 63.800 63.100 -0.021 0.000 0.910 97 P CB -0.206 31.486 31.700 -0.013 0.000 0.785 98 L N -1.349 119.897 121.223 0.039 0.000 1.965 98 L HA -0.274 4.072 4.340 0.010 0.000 0.226 98 L C 2.541 179.428 176.870 0.030 0.000 1.083 98 L CA 1.756 56.636 54.840 0.066 0.000 0.790 98 L CB -1.289 40.827 42.059 0.096 0.000 0.898 98 L HN -0.045 nan 8.230 nan 0.000 0.439 99 L N -0.988 120.212 121.223 -0.039 0.000 1.952 99 L HA -0.377 3.969 4.340 0.010 0.000 0.231 99 L C 2.663 179.502 176.870 -0.053 0.000 1.088 99 L CA 2.057 56.852 54.840 -0.075 0.000 0.802 99 L CB -0.813 41.117 42.059 -0.215 0.000 0.903 99 L HN 0.394 nan 8.230 nan 0.000 0.439 100 Q N -0.569 119.174 119.800 -0.095 0.000 2.173 100 Q HA -0.281 4.065 4.340 0.010 0.000 0.208 100 Q C 1.716 177.754 176.000 0.063 0.000 0.989 100 Q CA 1.647 57.414 55.803 -0.061 0.000 0.872 100 Q CB -0.342 28.321 28.738 -0.126 0.000 0.909 100 Q HN 0.547 nan 8.270 nan 0.000 0.420 101 Y N 1.430 121.680 120.300 -0.082 0.000 2.922 101 Y HA 0.010 4.566 4.550 0.011 0.000 0.379 101 Y C -0.411 175.463 175.900 -0.043 0.000 1.057 101 Y CA -0.623 57.442 58.100 -0.059 0.000 1.687 101 Y CB -0.875 37.556 38.460 -0.048 0.000 1.707 101 Y HN 0.289 nan 8.280 nan 0.000 0.462 102 N N 2.088 120.807 118.700 0.031 0.000 2.712 102 N HA -0.225 4.521 4.740 0.010 0.000 0.263 102 N C -1.231 174.231 175.510 -0.080 0.000 0.954 102 N CA 0.188 53.217 53.050 -0.036 0.000 0.812 102 N CB -0.571 37.895 38.487 -0.034 0.000 0.912 102 N HN 0.330 nan 8.380 nan 0.000 0.551 103 I N 0.795 121.329 120.570 -0.060 0.000 2.466 103 I HA 0.123 4.299 4.170 0.010 0.000 0.279 103 I C 0.766 176.882 176.117 -0.000 0.000 1.033 103 I CA -0.289 60.980 61.300 -0.051 0.000 1.123 103 I CB 1.162 39.123 38.000 -0.064 0.000 1.237 103 I HN 0.145 nan 8.210 nan 0.000 0.460 104 L N 4.612 125.843 121.223 0.012 0.000 2.609 104 L HA 0.254 4.600 4.340 0.010 0.000 0.230 104 L C 1.318 178.232 176.870 0.074 0.000 1.064 104 L CA 0.592 55.454 54.840 0.037 0.000 0.873 104 L CB 0.529 42.601 42.059 0.023 0.000 1.139 104 L HN 0.249 nan 8.230 nan 0.000 0.490 105 V N 1.289 121.243 119.914 0.068 0.000 2.283 105 V HA -0.042 4.084 4.120 0.010 0.000 0.243 105 V C 2.199 178.360 176.094 0.113 0.000 1.039 105 V CA 1.756 64.109 62.300 0.090 0.000 1.016 105 V CB -1.169 30.696 31.823 0.070 0.000 0.650 105 V HN 0.588 nan 8.190 nan 0.000 0.449 106 G N -0.339 108.517 108.800 0.093 0.000 3.352 106 G HA2 0.174 4.140 3.960 0.010 0.000 0.236 106 G HA3 0.174 4.140 3.960 0.010 0.000 0.236 106 G C 0.917 175.889 174.900 0.121 0.000 1.324 106 G CA 0.914 46.079 45.100 0.108 0.000 1.404 106 G HN 0.664 nan 8.290 nan 0.000 0.542 107 S N -1.422 114.365 115.700 0.145 0.000 2.560 107 S HA 0.029 4.505 4.470 0.010 0.000 0.281 107 S C 1.622 176.382 174.600 0.267 0.000 1.075 107 S CA 0.469 58.774 58.200 0.174 0.000 1.295 107 S CB -0.256 63.014 63.200 0.116 0.000 1.156 107 S HN 0.298 nan 8.310 nan 0.000 0.627 108 I N 0.426 121.144 120.570 0.247 0.000 2.512 108 I HA 0.359 4.535 4.170 0.010 0.000 0.247 108 I C 2.120 178.356 176.117 0.199 0.000 1.094 108 I CA 0.234 61.721 61.300 0.311 0.000 1.427 108 I CB -1.042 37.120 38.000 0.269 0.000 1.149 108 I HN 0.063 nan 8.210 nan 0.000 0.438 109 V N 2.130 122.165 119.914 0.200 0.000 2.215 109 V HA -0.273 3.853 4.120 0.010 0.000 0.249 109 V C 2.155 178.275 176.094 0.044 0.000 1.054 109 V CA 2.444 64.880 62.300 0.228 0.000 1.012 109 V CB -1.465 30.522 31.823 0.274 0.000 0.639 109 V HN 0.676 nan 8.190 nan 0.000 0.448 110 G N -1.168 107.731 108.800 0.166 0.000 3.392 110 G HA2 0.409 4.375 3.960 0.010 0.000 0.247 110 G HA3 0.409 4.375 3.960 0.010 0.000 0.247 110 G C 0.604 175.631 174.900 0.212 0.000 1.161 110 G CA 0.616 45.843 45.100 0.212 0.000 1.739 110 G HN 0.837 nan 8.290 nan 0.000 0.619 111 G N -0.287 108.539 108.800 0.044 0.000 4.211 111 G HA2 0.072 4.039 3.960 0.010 0.000 0.192 111 G HA3 0.072 4.039 3.960 0.010 0.000 0.192 111 G C 0.321 175.114 174.900 -0.178 0.000 0.951 111 G CA -0.420 44.815 45.100 0.225 0.000 0.804 111 G HN 0.353 nan 8.290 nan 0.000 0.489 112 I N 1.455 121.739 120.570 -0.476 0.000 3.207 112 I HA 0.376 4.552 4.170 0.010 0.000 0.343 112 I C 0.193 175.952 176.117 -0.596 0.000 1.378 112 I CA -0.211 60.862 61.300 -0.378 0.000 1.004 112 I CB 0.088 38.084 38.000 -0.007 0.000 1.836 112 I HN 0.225 nan 8.210 nan 0.000 0.513 113 Y N -0.284 119.957 120.300 -0.099 0.000 2.437 113 Y HA 0.213 4.769 4.550 0.011 0.000 0.266 113 Y C 1.621 177.334 175.900 -0.312 0.000 1.077 113 Y CA -0.281 57.732 58.100 -0.145 0.000 1.235 113 Y CB 0.918 39.212 38.460 -0.277 0.000 1.303 113 Y HN 0.158 nan 8.280 nan 0.000 0.536 114 L N 0.163 121.177 121.223 -0.348 0.000 2.627 114 L HA 0.261 4.607 4.340 0.010 0.000 0.232 114 L C 1.765 178.605 176.870 -0.050 0.000 1.150 114 L CA 0.578 55.207 54.840 -0.352 0.000 0.917 114 L CB 0.076 41.698 42.059 -0.728 0.000 1.104 114 L HN 0.238 nan 8.230 nan 0.000 0.445 115 G N -1.446 107.361 108.800 0.012 0.000 2.833 115 G HA2 -0.139 3.827 3.960 0.010 0.000 0.210 115 G HA3 -0.139 3.827 3.960 0.010 0.000 0.210 115 G C 1.356 176.447 174.900 0.319 0.000 1.139 115 G CA 0.156 45.310 45.100 0.089 0.000 0.771 115 G HN 0.503 nan 8.290 nan 0.000 0.535 116 F N 1.609 121.662 119.950 0.171 0.000 2.186 116 F HA -0.071 4.462 4.527 0.010 0.000 0.299 116 F C 1.761 177.540 175.800 -0.035 0.000 1.090 116 F CA 0.626 58.726 58.000 0.168 0.000 1.307 116 F CB -0.141 38.931 39.000 0.120 0.000 1.019 116 F HN 0.118 nan 8.300 nan 0.000 0.489 117 C N 0.405 120.117 119.300 0.687 0.000 2.554 117 C HA 0.453 4.919 4.460 0.010 0.000 0.434 117 C C 0.257 175.089 174.990 -0.263 0.000 1.316 117 C CA -0.716 58.437 59.018 0.224 0.000 1.671 117 C CB -2.404 25.416 27.740 0.134 0.000 2.172 117 C HN 0.645 nan 8.230 nan 0.000 0.601 118 F N -1.068 118.901 119.950 0.032 0.000 1.722 118 F HA 0.117 4.651 4.527 0.010 0.000 0.273 118 F C 1.854 177.636 175.800 -0.029 0.000 1.184 118 F CA 0.029 58.007 58.000 -0.038 0.000 1.299 118 F CB -0.555 38.294 39.000 -0.252 0.000 1.836 118 F HN 0.033 nan 8.300 nan 0.000 0.309 119 N N 0.720 119.541 118.700 0.202 0.000 2.080 119 N HA 0.011 4.757 4.740 0.010 0.000 0.189 119 N C 1.230 176.749 175.510 0.015 0.000 1.036 119 N CA 1.680 54.803 53.050 0.123 0.000 0.846 119 N CB -0.115 38.476 38.487 0.173 0.000 1.015 119 N HN 0.229 nan 8.380 nan 0.000 0.423 120 A N -0.537 122.203 122.820 -0.133 0.000 2.630 120 A HA 0.517 4.843 4.320 0.010 0.000 0.290 120 A C 1.282 178.450 177.584 -0.693 0.000 1.267 120 A CA 0.060 51.863 52.037 -0.390 0.000 0.950 120 A CB 0.145 18.838 19.000 -0.511 0.000 1.144 120 A HN 0.331 nan 8.150 nan 0.000 0.527 121 G N -1.410 107.188 108.800 -0.338 0.000 2.707 121 G HA2 0.326 4.292 3.960 0.010 0.000 0.198 121 G HA3 0.326 4.292 3.960 0.010 0.000 0.198 121 G C 1.431 176.294 174.900 -0.062 0.000 1.065 121 G CA 0.965 45.935 45.100 -0.218 0.000 0.763 121 G HN 0.548 nan 8.290 nan 0.000 0.625 122 A N 1.943 124.808 122.820 0.076 0.000 1.908 122 A HA 0.071 4.397 4.320 0.010 0.000 0.218 122 A C 0.949 178.649 177.584 0.193 0.000 1.181 122 A CA 2.194 54.385 52.037 0.257 0.000 0.627 122 A CB -1.014 18.177 19.000 0.319 0.000 0.818 122 A HN 0.399 nan 8.150 nan 0.000 0.445 123 P HA -0.037 nan 4.420 nan 0.000 0.216 123 P C 1.679 179.054 177.300 0.124 0.000 1.156 123 P CA 1.739 64.919 63.100 0.134 0.000 0.855 123 P CB -0.217 31.534 31.700 0.086 0.000 0.786 124 A N 0.351 123.222 122.820 0.084 0.000 1.927 124 A HA -0.186 4.141 4.320 0.010 0.000 0.220 124 A C 2.509 180.172 177.584 0.131 0.000 1.185 124 A CA 2.388 54.503 52.037 0.130 0.000 0.639 124 A CB -1.833 17.291 19.000 0.207 0.000 0.820 124 A HN 0.084 nan 8.150 nan 0.000 0.451 125 V N -0.410 119.544 119.914 0.067 0.000 2.261 125 V HA -0.273 3.853 4.120 0.010 0.000 0.246 125 V C 2.458 178.690 176.094 0.231 0.000 1.047 125 V CA 2.282 64.625 62.300 0.072 0.000 1.015 125 V CB -0.773 30.949 31.823 -0.167 0.000 0.642 125 V HN 0.746 nan 8.190 nan 0.000 0.446 126 E N -0.319 120.085 120.200 0.339 0.000 2.209 126 E HA -0.229 4.127 4.350 0.010 0.000 0.196 126 E C 2.064 178.841 176.600 0.294 0.000 0.993 126 E CA 1.161 57.879 56.400 0.530 0.000 0.819 126 E CB -0.114 29.881 29.700 0.491 0.000 0.745 126 E HN 0.625 nan 8.360 nan 0.000 0.477 127 A N 0.817 123.728 122.820 0.151 0.000 1.824 127 A HA -0.140 4.187 4.320 0.010 0.000 0.215 127 A C 1.869 179.455 177.584 0.003 0.000 1.244 127 A CA 1.030 53.069 52.037 0.003 0.000 0.604 127 A CB -1.211 17.802 19.000 0.023 0.000 0.900 127 A HN 0.436 nan 8.150 nan 0.000 0.455 128 F N 0.768 120.686 119.950 -0.054 0.000 2.064 128 F HA -0.315 4.218 4.527 0.010 0.000 0.293 128 F C 2.014 177.761 175.800 -0.090 0.000 1.086 128 F CA 2.255 60.222 58.000 -0.054 0.000 1.242 128 F CB -0.350 38.666 39.000 0.027 0.000 0.970 128 F HN 0.239 nan 8.300 nan 0.000 0.494 129 I N 0.270 121.012 120.570 0.287 0.000 2.423 129 I HA -0.258 3.919 4.170 0.010 0.000 0.254 129 I C 2.487 178.604 176.117 0.000 0.000 1.151 129 I CA 1.725 63.133 61.300 0.181 0.000 1.421 129 I CB -0.562 37.414 38.000 -0.039 0.000 1.079 129 I HN 0.365 nan 8.210 nan 0.000 0.431 130 E N 1.752 121.796 120.200 -0.261 0.000 2.170 130 E HA -0.188 4.169 4.350 0.010 0.000 0.191 130 E C 1.672 178.011 176.600 -0.435 0.000 0.981 130 E CA 1.045 57.120 56.400 -0.542 0.000 0.830 130 E CB -0.225 28.771 29.700 -1.174 0.000 0.775 130 E HN 0.377 nan 8.360 nan 0.000 0.470 131 K N 0.687 120.826 120.400 -0.436 0.000 2.519 131 K HA -0.009 4.318 4.320 0.010 0.000 0.196 131 K C 1.899 178.176 176.600 -0.539 0.000 1.041 131 K CA 0.837 56.846 56.287 -0.464 0.000 0.954 131 K CB 0.302 32.504 32.500 -0.497 0.000 0.774 131 K HN 0.063 nan 8.250 nan 0.000 0.480 132 V N -0.093 119.467 119.914 -0.591 0.000 2.672 132 V HA -0.136 3.990 4.120 0.010 0.000 0.242 132 V C 2.312 177.854 176.094 -0.921 0.000 1.059 132 V CA 1.431 63.301 62.300 -0.716 0.000 1.081 132 V CB 0.226 31.539 31.823 -0.849 0.000 0.752 132 V HN 0.343 nan 8.190 nan 0.000 0.472 133 S N 1.074 116.294 115.700 -0.799 0.000 2.392 133 S HA -0.279 4.197 4.470 0.010 0.000 0.232 133 S C 2.037 176.232 174.600 -0.675 0.000 1.041 133 S CA 1.727 59.389 58.200 -0.896 0.000 1.026 133 S CB -0.285 62.840 63.200 -0.126 0.000 0.845 133 S HN 0.584 nan 8.310 nan 0.000 0.465 134 R N 0.996 121.203 120.500 -0.488 0.000 2.155 134 R HA 0.083 4.430 4.340 0.010 0.000 0.215 134 R C 2.642 178.713 176.300 -0.383 0.000 1.123 134 R CA 1.205 57.092 56.100 -0.355 0.000 0.882 134 R CB -0.737 29.377 30.300 -0.310 0.000 0.789 134 R HN 0.376 nan 8.270 nan 0.000 0.452 135 R N 0.517 120.788 120.500 -0.382 0.000 2.204 135 R HA -0.129 4.217 4.340 0.010 0.000 0.253 135 R C 2.010 178.100 176.300 -0.350 0.000 1.172 135 R CA 1.450 57.352 56.100 -0.331 0.000 0.994 135 R CB -0.431 29.670 30.300 -0.331 0.000 0.874 135 R HN 0.238 nan 8.270 nan 0.000 0.462 136 S N 0.045 115.426 115.700 -0.531 0.000 2.523 136 S HA -0.000 4.476 4.470 0.010 0.000 0.217 136 S C -0.027 174.317 174.600 -0.427 0.000 0.996 136 S CA 0.281 58.198 58.200 -0.470 0.000 0.921 136 S CB -0.018 62.906 63.200 -0.461 0.000 0.829 136 S HN 0.593 nan 8.310 nan 0.000 0.495 137 N N 0.096 118.507 118.700 -0.480 0.000 2.921 137 N HA -0.166 4.580 4.740 0.010 0.000 0.248 137 N C -0.697 174.784 175.510 -0.047 0.000 1.118 137 N CA 0.943 53.842 53.050 -0.251 0.000 0.740 137 N CB -2.967 35.392 38.487 -0.214 0.000 1.091 137 N HN 0.324 nan 8.380 nan 0.000 0.553 138 F N -0.922 119.022 119.950 -0.011 0.000 2.378 138 F HA 0.629 5.162 4.527 0.010 0.000 0.325 138 F C 1.300 177.161 175.800 0.100 0.000 1.097 138 F CA -1.670 56.359 58.000 0.048 0.000 1.079 138 F CB 0.567 39.575 39.000 0.013 0.000 1.240 138 F HN 0.003 nan 8.300 nan 0.000 0.519 139 E N 1.837 122.208 120.200 0.285 0.000 1.802 139 E HA 0.084 4.440 4.350 0.010 0.000 0.265 139 E C 1.035 177.785 176.600 0.250 0.000 1.168 139 E CA -0.216 56.319 56.400 0.225 0.000 1.033 139 E CB -0.784 29.022 29.700 0.178 0.000 1.095 139 E HN 0.523 nan 8.360 nan 0.000 0.436 140 F N 2.742 122.793 119.950 0.168 0.000 2.071 140 F HA -0.329 4.204 4.527 0.010 0.000 0.291 140 F C 1.770 177.675 175.800 0.175 0.000 1.070 140 F CA 2.523 60.645 58.000 0.204 0.000 1.262 140 F CB -0.614 38.455 39.000 0.114 0.000 0.983 140 F HN 0.464 nan 8.300 nan 0.000 0.493 141 G N -0.754 108.032 108.800 -0.024 0.000 2.740 141 G HA2 -0.212 3.754 3.960 0.010 0.000 0.208 141 G HA3 -0.212 3.754 3.960 0.010 0.000 0.208 141 G C 1.543 176.396 174.900 -0.079 0.000 1.148 141 G CA 0.554 45.545 45.100 -0.181 0.000 0.795 141 G HN 0.533 nan 8.290 nan 0.000 0.526 142 R N -0.921 119.582 120.500 0.005 0.000 2.307 142 R HA 0.438 4.784 4.340 0.010 0.000 0.200 142 R C 2.052 178.462 176.300 0.184 0.000 0.893 142 R CA 0.912 57.056 56.100 0.073 0.000 1.042 142 R CB 0.167 30.425 30.300 -0.070 0.000 1.059 142 R HN 0.115 nan 8.270 nan 0.000 0.530 143 A N -0.021 122.843 122.820 0.074 0.000 2.288 143 A HA 0.212 4.538 4.320 0.010 0.000 0.216 143 A C 1.770 179.381 177.584 0.045 0.000 1.199 143 A CA -0.229 51.710 52.037 -0.164 0.000 0.891 143 A CB 0.079 18.869 19.000 -0.350 0.000 0.923 143 A HN 0.074 nan 8.150 nan 0.000 0.500 144 R N -0.275 120.141 120.500 -0.138 0.000 2.173 144 R HA 0.179 4.525 4.340 0.010 0.000 0.208 144 R C 0.182 176.266 176.300 -0.360 0.000 1.035 144 R CA 0.560 56.361 56.100 -0.499 0.000 1.004 144 R CB -0.053 29.745 30.300 -0.835 0.000 0.917 144 R HN 0.380 nan 8.270 nan 0.000 0.462 145 M N 0.471 119.993 119.600 -0.130 0.000 3.652 145 M HA 0.134 4.620 4.480 0.010 0.000 0.208 145 M C -0.164 176.206 176.300 0.117 0.000 1.307 145 M CA 0.236 55.517 55.300 -0.032 0.000 1.524 145 M CB 0.103 32.703 32.600 -0.001 0.000 1.067 145 M HN -0.020 nan 8.290 nan 0.000 0.590 146 F N -0.774 119.109 119.950 -0.111 0.000 2.495 146 F HA 0.292 4.825 4.527 0.010 0.000 0.326 146 F C 1.834 177.653 175.800 0.032 0.000 0.815 146 F CA 0.165 58.136 58.000 -0.048 0.000 1.045 146 F CB 0.265 39.229 39.000 -0.059 0.000 0.946 146 F HN 0.294 nan 8.300 nan 0.000 0.683 147 G N -0.840 108.046 108.800 0.143 0.000 3.181 147 G HA2 0.032 3.998 3.960 0.010 0.000 0.219 147 G HA3 0.032 3.998 3.960 0.010 0.000 0.219 147 G C 0.912 175.864 174.900 0.086 0.000 1.182 147 G CA 0.789 45.926 45.100 0.061 0.000 0.791 147 G HN 0.437 nan 8.290 nan 0.000 0.537 148 C N -1.351 118.007 119.300 0.096 0.000 2.611 148 C HA 0.154 4.620 4.460 0.010 0.000 0.282 148 C C 2.688 177.851 174.990 0.289 0.000 1.321 148 C CA 0.280 59.399 59.018 0.170 0.000 1.747 148 C CB -0.134 27.641 27.740 0.058 0.000 2.124 148 C HN 0.313 nan 8.230 nan 0.000 0.531 149 V N 1.103 121.161 119.914 0.240 0.000 2.719 149 V HA 0.096 4.222 4.120 0.010 0.000 0.252 149 V C 2.230 178.603 176.094 0.464 0.000 1.065 149 V CA 2.405 64.847 62.300 0.236 0.000 1.086 149 V CB -0.584 31.256 31.823 0.028 0.000 0.700 149 V HN 0.533 nan 8.190 nan 0.000 0.467 150 G N -0.731 108.482 108.800 0.688 0.000 2.443 150 G HA2 -0.271 3.695 3.960 0.010 0.000 0.219 150 G HA3 -0.271 3.695 3.960 0.010 0.000 0.219 150 G C 1.467 176.758 174.900 0.651 0.000 1.131 150 G CA 0.766 46.331 45.100 0.775 0.000 0.775 150 G HN 0.723 nan 8.290 nan 0.000 0.547 151 W N 1.206 122.719 121.300 0.356 0.000 3.197 151 W HA 0.487 5.154 4.660 0.010 0.000 0.274 151 W C 1.649 178.273 176.519 0.174 0.000 1.297 151 W CA 0.519 57.993 57.345 0.216 0.000 1.662 151 W CB 0.107 29.688 29.460 0.201 0.000 1.106 151 W HN 0.238 nan 8.180 nan 0.000 0.663 152 A N 0.794 123.826 122.820 0.354 0.000 1.871 152 A HA -0.011 4.316 4.320 0.010 0.000 0.211 152 A C 1.802 179.482 177.584 0.161 0.000 1.207 152 A CA 0.932 53.087 52.037 0.196 0.000 0.620 152 A CB -0.852 18.285 19.000 0.228 0.000 0.860 152 A HN 0.144 nan 8.150 nan 0.000 0.450 153 L N 0.523 121.915 121.223 0.281 0.000 2.141 153 L HA 0.011 4.357 4.340 0.010 0.000 0.209 153 L C 2.632 179.718 176.870 0.360 0.000 1.094 153 L CA 1.469 56.501 54.840 0.319 0.000 0.763 153 L CB -1.289 41.005 42.059 0.391 0.000 0.908 153 L HN 0.416 nan 8.230 nan 0.000 0.437 154 G N -0.496 108.499 108.800 0.325 0.000 2.679 154 G HA2 -0.318 3.648 3.960 0.010 0.000 0.217 154 G HA3 -0.318 3.648 3.960 0.010 0.000 0.217 154 G C 1.708 176.496 174.900 -0.185 0.000 1.267 154 G CA 1.394 46.410 45.100 -0.139 0.000 0.799 154 G HN 0.495 nan 8.290 nan 0.000 0.606 155 A N 0.364 123.052 122.820 -0.219 0.000 1.863 155 A HA -0.162 4.164 4.320 0.010 0.000 0.218 155 A C 2.688 180.300 177.584 0.047 0.000 1.233 155 A CA 2.960 54.934 52.037 -0.105 0.000 0.655 155 A CB -1.262 17.547 19.000 -0.319 0.000 0.839 155 A HN 0.415 nan 8.150 nan 0.000 0.454 156 S N -0.356 115.387 115.700 0.071 0.000 2.427 156 S HA -0.256 4.220 4.470 0.010 0.000 0.231 156 S C 1.799 176.462 174.600 0.105 0.000 1.045 156 S CA 1.919 60.215 58.200 0.160 0.000 1.154 156 S CB -0.705 62.620 63.200 0.208 0.000 1.093 156 S HN 0.420 nan 8.310 nan 0.000 0.422 157 I N 1.401 122.044 120.570 0.121 0.000 2.065 157 I HA -0.234 3.942 4.170 0.010 0.000 0.236 157 I C 2.359 178.466 176.117 -0.017 0.000 1.028 157 I CA 1.267 62.628 61.300 0.103 0.000 1.299 157 I CB -1.236 36.907 38.000 0.239 0.000 1.015 157 I HN 0.132 nan 8.210 nan 0.000 0.396 158 V N 0.900 120.740 119.914 -0.123 0.000 2.250 158 V HA -0.346 3.780 4.120 0.010 0.000 0.250 158 V C 2.547 178.364 176.094 -0.461 0.000 1.060 158 V CA 2.347 64.467 62.300 -0.300 0.000 1.030 158 V CB -1.963 29.603 31.823 -0.428 0.000 0.643 158 V HN 0.641 nan 8.190 nan 0.000 0.445 159 G N 0.044 108.503 108.800 -0.569 0.000 2.545 159 G HA2 -0.277 3.689 3.960 0.010 0.000 0.217 159 G HA3 -0.277 3.689 3.960 0.010 0.000 0.217 159 G C 1.447 176.228 174.900 -0.199 0.000 1.218 159 G CA 1.373 46.130 45.100 -0.572 0.000 0.787 159 G HN 0.401 nan 8.290 nan 0.000 0.571 160 I N 0.268 120.772 120.570 -0.110 0.000 2.185 160 I HA -0.203 3.973 4.170 0.010 0.000 0.246 160 I C 2.759 178.857 176.117 -0.031 0.000 1.088 160 I CA 1.345 62.627 61.300 -0.029 0.000 1.347 160 I CB -0.503 37.522 38.000 0.042 0.000 1.041 160 I HN 0.133 nan 8.210 nan 0.000 0.415 161 M N -0.869 118.702 119.600 -0.047 0.000 2.059 161 M HA -0.221 4.265 4.480 0.010 0.000 0.259 161 M C 2.156 178.464 176.300 0.014 0.000 1.072 161 M CA 1.635 56.913 55.300 -0.037 0.000 1.117 161 M CB -0.829 31.750 32.600 -0.035 0.000 1.320 161 M HN 0.199 nan 8.290 nan 0.000 0.408 162 F N 0.676 120.515 119.950 -0.185 0.000 2.063 162 F HA -0.396 4.137 4.527 0.010 0.000 0.297 162 F C 2.518 178.286 175.800 -0.053 0.000 1.099 162 F CA 2.499 60.412 58.000 -0.144 0.000 1.220 162 F CB -1.345 37.444 39.000 -0.352 0.000 0.972 162 F HN 0.433 nan 8.300 nan 0.000 0.487 163 T N -0.492 114.030 114.554 -0.053 0.000 2.555 163 T HA -0.273 4.084 4.350 0.010 0.000 0.264 163 T C 2.066 176.691 174.700 -0.126 0.000 1.083 163 T CA 1.815 63.849 62.100 -0.110 0.000 1.179 163 T CB -1.151 67.700 68.868 -0.029 0.000 0.863 163 T HN 0.213 nan 8.240 nan 0.000 0.412 164 I N 2.723 123.253 120.570 -0.067 0.000 2.285 164 I HA -0.095 4.081 4.170 0.010 0.000 0.253 164 I C 1.064 177.155 176.117 -0.045 0.000 1.104 164 I CA 1.545 62.816 61.300 -0.049 0.000 1.372 164 I CB -1.526 36.448 38.000 -0.043 0.000 1.057 164 I HN 0.613 nan 8.210 nan 0.000 0.431 165 N N 0.121 118.783 118.700 -0.063 0.000 3.270 165 N HA -0.058 4.688 4.740 0.010 0.000 0.227 165 N C 0.450 175.928 175.510 -0.055 0.000 1.071 165 N CA -0.068 52.963 53.050 -0.032 0.000 1.073 165 N CB 0.436 38.984 38.487 0.101 0.000 1.633 165 N HN 0.177 nan 8.380 nan 0.000 0.664 166 N N 3.000 121.582 118.700 -0.195 0.000 2.142 166 N HA -0.188 4.558 4.740 0.010 0.000 0.186 166 N C 0.595 176.266 175.510 0.270 0.000 1.023 166 N CA 1.011 53.968 53.050 -0.156 0.000 0.852 166 N CB 0.031 38.391 38.487 -0.212 0.000 0.998 166 N HN 0.579 nan 8.380 nan 0.000 0.424 167 Q N 0.603 120.494 119.800 0.151 0.000 2.045 167 Q HA -0.124 4.222 4.340 0.010 0.000 0.206 167 Q C 0.977 177.223 176.000 0.409 0.000 0.991 167 Q CA 0.963 56.887 55.803 0.203 0.000 0.851 167 Q CB -0.648 28.151 28.738 0.101 0.000 0.911 167 Q HN 0.461 nan 8.270 nan 0.000 0.418 168 F N 1.400 121.469 119.950 0.198 0.000 2.600 168 F HA -0.056 4.477 4.527 0.011 0.000 0.369 168 F C 0.692 176.636 175.800 0.241 0.000 1.164 168 F CA -0.508 57.616 58.000 0.207 0.000 1.375 168 F CB 0.098 39.161 39.000 0.106 0.000 1.633 168 F HN -0.163 nan 8.300 nan 0.000 0.624 169 V N -0.319 119.940 119.914 0.574 0.000 4.060 169 V HA -0.120 4.006 4.120 0.010 0.000 0.170 169 V C 1.165 177.409 176.094 0.250 0.000 1.358 169 V CA 0.110 62.634 62.300 0.373 0.000 1.213 169 V CB -0.495 31.518 31.823 0.316 0.000 1.269 169 V HN 0.156 nan 8.190 nan 0.000 0.591 170 F N -0.407 119.507 119.950 -0.059 0.000 2.373 170 F HA -0.140 4.393 4.527 0.010 0.000 0.300 170 F C 1.748 177.310 175.800 -0.398 0.000 1.080 170 F CA 1.357 59.116 58.000 -0.401 0.000 1.417 170 F CB -0.594 38.069 39.000 -0.561 0.000 1.070 170 F HN 0.309 nan 8.300 nan 0.000 0.546 171 W N -1.291 120.114 121.300 0.174 0.000 2.704 171 W HA 0.167 4.833 4.660 0.010 0.000 0.266 171 W C 2.136 178.717 176.519 0.103 0.000 1.266 171 W CA 0.035 57.424 57.345 0.073 0.000 1.377 171 W CB -0.400 29.026 29.460 -0.057 0.000 1.082 171 W HN -0.078 nan 8.180 nan 0.000 0.608 172 L N 0.119 121.529 121.223 0.311 0.000 2.049 172 L HA 0.213 4.559 4.340 0.010 0.000 0.203 172 L C 2.367 179.316 176.870 0.131 0.000 1.074 172 L CA 2.460 57.457 54.840 0.263 0.000 0.749 172 L CB -1.286 40.965 42.059 0.320 0.000 0.907 172 L HN -0.017 nan 8.230 nan 0.000 0.439 173 G N -1.834 107.032 108.800 0.110 0.000 2.470 173 G HA2 -0.249 3.717 3.960 0.010 0.000 0.220 173 G HA3 -0.249 3.717 3.960 0.010 0.000 0.220 173 G C 1.593 176.503 174.900 0.017 0.000 1.121 173 G CA 0.896 46.030 45.100 0.058 0.000 0.766 173 G HN 0.411 nan 8.290 nan 0.000 0.553 174 S N -0.772 114.937 115.700 0.015 0.000 2.593 174 S HA 0.361 4.838 4.470 0.010 0.000 0.217 174 S C 1.629 176.161 174.600 -0.113 0.000 0.966 174 S CA 0.860 59.008 58.200 -0.086 0.000 0.914 174 S CB 0.117 63.159 63.200 -0.263 0.000 0.776 174 S HN 0.572 nan 8.310 nan 0.000 0.523 175 G N -0.494 108.265 108.800 -0.068 0.000 2.652 175 G HA2 -0.063 3.903 3.960 0.010 0.000 0.187 175 G HA3 -0.063 3.903 3.960 0.010 0.000 0.187 175 G C 1.383 176.225 174.900 -0.097 0.000 1.219 175 G CA 0.465 45.532 45.100 -0.055 0.000 0.667 175 G HN 0.466 nan 8.290 nan 0.000 0.781 176 C N 1.973 121.231 119.300 -0.071 0.000 2.382 176 C HA 0.057 4.523 4.460 0.010 0.000 0.274 176 C C 2.951 177.712 174.990 -0.382 0.000 1.180 176 C CA 2.916 61.827 59.018 -0.178 0.000 1.799 176 C CB -0.885 26.835 27.740 -0.032 0.000 2.094 176 C HN 0.597 nan 8.230 nan 0.000 0.468 177 A N -0.976 121.710 122.820 -0.223 0.000 2.343 177 A HA 0.369 4.695 4.320 0.010 0.000 0.223 177 A C 1.898 179.376 177.584 -0.177 0.000 1.214 177 A CA 0.564 52.432 52.037 -0.281 0.000 0.900 177 A CB -0.366 18.548 19.000 -0.143 0.000 0.942 177 A HN 0.643 nan 8.150 nan 0.000 0.507 178 L N -0.333 120.805 121.223 -0.143 0.000 2.208 178 L HA 0.137 4.484 4.340 0.010 0.000 0.196 178 L C 1.853 178.678 176.870 -0.075 0.000 1.130 178 L CA 1.201 55.971 54.840 -0.116 0.000 0.791 178 L CB -0.792 41.189 42.059 -0.130 0.000 0.969 178 L HN 0.224 nan 8.230 nan 0.000 0.468 179 I N 1.161 121.688 120.570 -0.072 0.000 2.462 179 I HA -0.312 3.864 4.170 0.010 0.000 0.259 179 I C 2.389 178.511 176.117 0.008 0.000 1.156 179 I CA 1.240 62.511 61.300 -0.048 0.000 1.417 179 I CB -0.927 37.050 38.000 -0.038 0.000 1.088 179 I HN 0.328 nan 8.210 nan 0.000 0.442 180 L N 0.256 121.511 121.223 0.054 0.000 2.185 180 L HA 0.165 4.511 4.340 0.010 0.000 0.198 180 L C 2.252 179.293 176.870 0.285 0.000 1.079 180 L CA 1.302 56.264 54.840 0.202 0.000 0.780 180 L CB -1.279 41.007 42.059 0.378 0.000 0.955 180 L HN 0.068 nan 8.230 nan 0.000 0.462 181 A N -0.916 122.065 122.820 0.269 0.000 2.208 181 A HA 0.120 4.446 4.320 0.010 0.000 0.202 181 A C 1.684 179.463 177.584 0.324 0.000 1.327 181 A CA 1.482 53.629 52.037 0.184 0.000 0.930 181 A CB -0.688 18.261 19.000 -0.084 0.000 0.757 181 A HN 0.278 nan 8.150 nan 0.000 0.507 182 V N -1.982 118.098 119.914 0.276 0.000 3.219 182 V HA 0.109 4.235 4.120 0.010 0.000 0.214 182 V C 1.561 177.826 176.094 0.286 0.000 1.433 182 V CA 0.735 63.099 62.300 0.106 0.000 1.301 182 V CB -0.366 31.329 31.823 -0.214 0.000 1.160 182 V HN 0.437 nan 8.190 nan 0.000 0.505 183 L N 0.874 122.204 121.223 0.178 0.000 2.456 183 L HA 0.155 4.501 4.340 0.010 0.000 0.224 183 L C 1.090 178.077 176.870 0.195 0.000 1.148 183 L CA 1.340 56.248 54.840 0.114 0.000 0.825 183 L CB -0.161 41.889 42.059 -0.015 0.000 0.937 183 L HN 0.370 nan 8.230 nan 0.000 0.450 184 L N 0.381 121.797 121.223 0.322 0.000 2.930 184 L HA 0.020 4.367 4.340 0.010 0.000 0.250 184 L C 0.388 177.150 176.870 -0.179 0.000 1.320 184 L CA 0.042 54.953 54.840 0.119 0.000 1.163 184 L CB -0.571 41.541 42.059 0.089 0.000 1.542 184 L HN 0.322 nan 8.230 nan 0.000 0.428 185 F N -1.329 118.765 119.950 0.239 0.000 2.421 185 F HA 0.023 4.556 4.527 0.011 0.000 0.270 185 F C 1.876 177.916 175.800 0.401 0.000 0.894 185 F CA -0.299 57.883 58.000 0.303 0.000 1.128 185 F CB -0.580 38.709 39.000 0.481 0.000 1.011 185 F HN 0.082 nan 8.300 nan 0.000 0.788 186 F N 2.107 122.255 119.950 0.331 0.000 2.244 186 F HA -0.101 4.432 4.527 0.010 0.000 0.301 186 F C 0.727 176.596 175.800 0.115 0.000 1.050 186 F CA 0.449 58.563 58.000 0.189 0.000 1.345 186 F CB -1.840 37.263 39.000 0.173 0.000 1.070 186 F HN -0.105 nan 8.300 nan 0.000 0.519 187 A N 2.384 125.479 122.820 0.459 0.000 2.540 187 A HA 0.600 4.926 4.320 0.010 0.000 0.340 187 A C 0.141 177.805 177.584 0.133 0.000 1.424 187 A CA -0.477 51.622 52.037 0.103 0.000 0.940 187 A CB 0.024 19.153 19.000 0.216 0.000 1.149 187 A HN 0.601 nan 8.150 nan 0.000 0.505 188 K N 0.133 120.591 120.400 0.097 0.000 2.056 188 K HA 0.811 5.137 4.320 0.010 0.000 0.252 188 K C -0.841 175.799 176.600 0.067 0.000 0.900 188 K CA -0.716 55.661 56.287 0.150 0.000 0.763 188 K CB 0.879 33.490 32.500 0.185 0.000 1.558 188 K HN 0.292 nan 8.250 nan 0.000 0.448 189 T N -0.689 113.889 114.554 0.039 0.000 2.841 189 T HA 0.404 4.760 4.350 0.010 0.000 0.296 189 T C -0.699 173.972 174.700 -0.048 0.000 1.166 189 T CA -0.420 61.654 62.100 -0.042 0.000 1.007 189 T CB 1.741 70.534 68.868 -0.126 0.000 1.253 189 T HN 0.818 nan 8.240 nan 0.000 0.511 190 D N -0.709 119.646 120.400 -0.076 0.000 2.001 190 D HA 0.107 4.753 4.640 0.010 0.000 0.337 190 D C 0.907 177.147 176.300 -0.099 0.000 1.148 190 D CA 0.085 54.039 54.000 -0.076 0.000 1.057 190 D CB -0.584 40.196 40.800 -0.034 0.000 1.884 190 D HN 0.896 nan 8.370 nan 0.000 0.529 191 A N 2.443 125.212 122.820 -0.086 0.000 2.212 191 A HA -0.012 4.314 4.320 0.010 0.000 0.321 191 A C -1.899 175.627 177.584 -0.097 0.000 0.822 191 A CA 0.172 52.157 52.037 -0.085 0.000 1.377 191 A CB -0.526 18.423 19.000 -0.085 0.000 0.654 191 A HN 0.213 nan 8.150 nan 0.000 0.282 192 P HA 0.072 nan 4.420 nan 0.000 0.271 192 P C 0.172 177.422 177.300 -0.084 0.000 1.535 192 P CA 0.920 63.969 63.100 -0.085 0.000 0.820 192 P CB -0.217 31.441 31.700 -0.070 0.000 1.606 193 S N -2.923 112.722 115.700 -0.091 0.000 2.798 193 S HA 0.527 5.003 4.470 0.010 0.000 0.312 193 S C 0.700 175.237 174.600 -0.105 0.000 1.122 193 S CA -0.142 58.006 58.200 -0.087 0.000 0.949 193 S CB 1.182 64.337 63.200 -0.076 0.000 1.235 193 S HN -0.066 nan 8.310 nan 0.000 0.552 194 S N -1.599 114.042 115.700 -0.098 0.000 3.380 194 S HA -0.186 4.290 4.470 0.010 0.000 0.300 194 S C 0.382 174.909 174.600 -0.121 0.000 1.255 194 S CA 1.623 59.757 58.200 -0.111 0.000 0.963 194 S CB -1.827 61.292 63.200 -0.136 0.000 1.106 194 S HN 1.695 nan 8.310 nan 0.000 0.629 195 A N -0.941 121.814 122.820 -0.107 0.000 2.144 195 A HA 0.803 5.129 4.320 0.010 0.000 0.191 195 A C 0.332 177.866 177.584 -0.083 0.000 1.705 195 A CA 0.584 52.557 52.037 -0.105 0.000 1.653 195 A CB 0.461 19.393 19.000 -0.114 0.000 1.624 195 A HN 0.692 nan 8.150 nan 0.000 0.691 196 T N -0.674 113.835 114.554 -0.076 0.000 2.906 196 T HA 0.449 4.806 4.350 0.010 0.000 0.295 196 T C 0.848 175.511 174.700 -0.060 0.000 1.061 196 T CA -0.054 62.008 62.100 -0.063 0.000 1.000 196 T CB 1.856 70.690 68.868 -0.056 0.000 1.103 196 T HN 0.296 nan 8.240 nan 0.000 0.486 197 V N 1.029 120.912 119.914 -0.053 0.000 2.490 197 V HA -0.072 4.054 4.120 0.010 0.000 0.250 197 V C 1.895 177.960 176.094 -0.049 0.000 1.061 197 V CA 2.321 64.591 62.300 -0.050 0.000 1.064 197 V CB -0.946 30.851 31.823 -0.044 0.000 0.670 197 V HN 0.960 nan 8.190 nan 0.000 0.461 198 A N 1.097 123.888 122.820 -0.047 0.000 2.579 198 A HA 0.240 4.566 4.320 0.010 0.000 0.220 198 A C 1.145 178.701 177.584 -0.048 0.000 2.352 198 A CA 0.630 52.640 52.037 -0.045 0.000 1.183 198 A CB -0.046 18.929 19.000 -0.041 0.000 1.311 198 A HN 0.659 nan 8.150 nan 0.000 0.534 199 N N -2.123 116.550 118.700 -0.045 0.000 2.498 199 N HA 0.354 5.100 4.740 0.010 0.000 0.272 199 N C 0.446 175.933 175.510 -0.040 0.000 1.534 199 N CA 0.479 53.503 53.050 -0.043 0.000 0.873 199 N CB 0.701 39.164 38.487 -0.040 0.000 1.415 199 N HN 0.375 nan 8.380 nan 0.000 0.496 200 A N 0.233 123.027 122.820 -0.043 0.000 2.066 200 A HA 0.225 4.552 4.320 0.010 0.000 0.218 200 A C 1.221 178.781 177.584 -0.040 0.000 1.157 200 A CA 1.783 53.795 52.037 -0.041 0.000 0.670 200 A CB -0.207 18.767 19.000 -0.043 0.000 0.804 200 A HN 0.489 nan 8.150 nan 0.000 0.453 201 V N -7.851 112.036 119.914 -0.046 0.000 3.680 201 V HA 0.827 4.953 4.120 0.010 0.000 0.312 201 V C 1.089 177.144 176.094 -0.065 0.000 1.541 201 V CA 0.053 62.322 62.300 -0.053 0.000 0.938 201 V CB 0.496 32.279 31.823 -0.066 0.000 1.087 201 V HN 1.523 nan 8.190 nan 0.000 0.480 202 G N -0.252 108.491 108.800 -0.095 0.000 2.313 202 G HA2 0.371 4.337 3.960 0.010 0.000 0.215 202 G HA3 0.371 4.337 3.960 0.010 0.000 0.215 202 G C 0.434 175.240 174.900 -0.157 0.000 1.023 202 G CA 0.423 45.450 45.100 -0.123 0.000 0.626 202 G HN 2.664 nan 8.290 nan 0.000 0.503 203 A N -0.216 122.519 122.820 -0.142 0.000 2.475 203 A HA 0.614 4.940 4.320 0.010 0.000 0.300 203 A C -0.309 177.144 177.584 -0.219 0.000 1.089 203 A CA 0.579 52.492 52.037 -0.206 0.000 0.948 203 A CB -0.166 18.692 19.000 -0.236 0.000 1.508 203 A HN 1.423 nan 8.150 nan 0.000 0.385 204 N N 1.892 120.479 118.700 -0.189 0.000 2.121 204 N HA -0.036 4.711 4.740 0.010 0.000 0.260 204 N C 0.208 175.591 175.510 -0.212 0.000 1.229 204 N CA 1.455 54.419 53.050 -0.144 0.000 0.830 204 N CB 0.173 38.576 38.487 -0.140 0.000 1.073 204 N HN 0.707 nan 8.380 nan 0.000 0.465 205 H N -0.148 118.883 119.070 -0.065 0.000 3.043 205 H HA 0.699 5.261 4.556 0.010 0.000 0.302 205 H C -0.470 174.837 175.328 -0.035 0.000 1.506 205 H CA -0.512 55.510 56.048 -0.043 0.000 1.282 205 H CB 1.570 31.316 29.762 -0.026 0.000 1.914 205 H HN 0.600 nan 8.280 nan 0.000 0.625 206 S N -1.172 114.661 115.700 0.222 0.000 2.654 206 S HA 0.645 5.121 4.470 0.010 0.000 0.267 206 S C -1.939 172.781 174.600 0.201 0.000 1.151 206 S CA 0.041 58.314 58.200 0.122 0.000 0.873 206 S CB 0.816 64.031 63.200 0.025 0.000 1.181 206 S HN 0.925 nan 8.310 nan 0.000 0.489 207 A N 1.066 124.009 122.820 0.206 0.000 2.549 207 A HA 0.813 5.139 4.320 0.010 0.000 0.297 207 A C -1.836 176.029 177.584 0.468 0.000 1.061 207 A CA -0.524 51.721 52.037 0.347 0.000 0.690 207 A CB 1.185 20.275 19.000 0.150 0.000 1.287 207 A HN 1.499 nan 8.150 nan 0.000 0.402 208 F N 0.525 120.482 119.950 0.012 0.000 2.828 208 F HA 0.714 5.248 4.527 0.011 0.000 0.355 208 F C 0.024 175.817 175.800 -0.012 0.000 1.200 208 F CA -1.468 56.535 58.000 0.004 0.000 1.062 208 F CB 0.510 39.514 39.000 0.007 0.000 1.351 208 F HN 0.607 nan 8.300 nan 0.000 0.504 209 S N 2.716 118.448 115.700 0.054 0.000 2.745 209 S HA 0.637 5.113 4.470 0.010 0.000 0.292 209 S C 0.530 175.098 174.600 -0.054 0.000 1.127 209 S CA -0.485 57.691 58.200 -0.040 0.000 1.007 209 S CB 1.659 64.849 63.200 -0.015 0.000 1.165 209 S HN 0.700 nan 8.310 nan 0.000 0.544 210 L N 1.077 122.262 121.223 -0.062 0.000 2.084 210 L HA 0.314 4.660 4.340 0.010 0.000 0.202 210 L C 2.371 179.190 176.870 -0.086 0.000 1.074 210 L CA 1.659 56.459 54.840 -0.067 0.000 0.757 210 L CB -1.036 41.002 42.059 -0.035 0.000 0.918 210 L HN 0.684 nan 8.230 nan 0.000 0.444 211 K N -0.107 120.266 120.400 -0.045 0.000 2.063 211 K HA -0.167 4.160 4.320 0.010 0.000 0.208 211 K C 2.171 178.736 176.600 -0.060 0.000 1.048 211 K CA 1.691 57.958 56.287 -0.032 0.000 0.928 211 K CB -0.713 31.789 32.500 0.004 0.000 0.713 211 K HN 0.362 nan 8.250 nan 0.000 0.442 212 L N 0.410 121.621 121.223 -0.021 0.000 1.978 212 L HA -0.296 4.051 4.340 0.010 0.000 0.218 212 L C 2.599 179.304 176.870 -0.274 0.000 1.075 212 L CA 1.702 56.558 54.840 0.026 0.000 0.767 212 L CB -0.729 41.394 42.059 0.106 0.000 0.890 212 L HN 0.186 nan 8.230 nan 0.000 0.434 213 A N 0.264 122.855 122.820 -0.381 0.000 1.849 213 A HA -0.223 4.104 4.320 0.010 0.000 0.217 213 A C 2.131 179.023 177.584 -1.153 0.000 1.202 213 A CA 1.883 53.398 52.037 -0.869 0.000 0.629 213 A CB -1.047 17.513 19.000 -0.733 0.000 0.834 213 A HN 0.431 nan 8.150 nan 0.000 0.447 214 L N -0.825 120.061 121.223 -0.563 0.000 2.351 214 L HA -0.215 4.132 4.340 0.010 0.000 0.220 214 L C 2.481 179.274 176.870 -0.128 0.000 1.127 214 L CA 1.461 56.203 54.840 -0.162 0.000 0.786 214 L CB -0.679 41.390 42.059 0.017 0.000 0.914 214 L HN 0.542 nan 8.230 nan 0.000 0.443 215 E N 0.444 120.500 120.200 -0.241 0.000 2.042 215 E HA -0.111 4.245 4.350 0.010 0.000 0.189 215 E C 2.366 178.770 176.600 -0.327 0.000 0.974 215 E CA 0.668 56.953 56.400 -0.191 0.000 0.806 215 E CB 0.020 29.655 29.700 -0.109 0.000 0.769 215 E HN 0.455 nan 8.360 nan 0.000 0.451 216 L N 0.247 121.124 121.223 -0.576 0.000 2.013 216 L HA -0.201 4.145 4.340 0.010 0.000 0.212 216 L C 2.479 179.143 176.870 -0.344 0.000 1.073 216 L CA 1.465 55.982 54.840 -0.537 0.000 0.753 216 L CB -0.961 40.768 42.059 -0.551 0.000 0.890 216 L HN 0.171 nan 8.230 nan 0.000 0.432 217 F N -0.209 119.515 119.950 -0.376 0.000 2.225 217 F HA -0.238 4.295 4.527 0.010 0.000 0.302 217 F C 2.909 178.620 175.800 -0.148 0.000 1.068 217 F CA 0.273 58.070 58.000 -0.339 0.000 1.327 217 F CB -0.287 38.695 39.000 -0.031 0.000 1.043 217 F HN 0.095 nan 8.300 nan 0.000 0.506 218 R N 1.038 121.576 120.500 0.063 0.000 2.093 218 R HA -0.008 4.338 4.340 0.010 0.000 0.224 218 R C 0.442 176.750 176.300 0.013 0.000 1.101 218 R CA 0.643 56.792 56.100 0.082 0.000 0.979 218 R CB -0.338 29.985 30.300 0.037 0.000 0.877 218 R HN 0.358 nan 8.270 nan 0.000 0.441 219 Q N 0.552 120.269 119.800 -0.138 0.000 2.313 219 Q HA 0.071 4.417 4.340 0.010 0.000 0.266 219 Q C -1.883 173.996 176.000 -0.202 0.000 0.989 219 Q CA -1.498 54.201 55.803 -0.173 0.000 0.890 219 Q CB 1.076 29.672 28.738 -0.236 0.000 1.200 219 Q HN 0.059 nan 8.270 nan 0.000 0.396 220 P HA -0.154 nan 4.420 nan 0.000 0.216 220 P C 0.621 177.828 177.300 -0.155 0.000 1.156 220 P CA 1.092 64.188 63.100 -0.008 0.000 0.855 220 P CB 0.177 31.754 31.700 -0.206 0.000 0.786 221 K N 0.121 120.395 120.400 -0.211 0.000 2.362 221 K HA -0.155 4.172 4.320 0.010 0.000 0.202 221 K C 1.794 178.546 176.600 0.253 0.000 1.045 221 K CA 1.293 57.551 56.287 -0.049 0.000 0.936 221 K CB -1.198 31.212 32.500 -0.149 0.000 0.747 221 K HN 0.129 nan 8.250 nan 0.000 0.467 222 L N -0.579 120.741 121.223 0.161 0.000 2.068 222 L HA 0.119 4.465 4.340 0.010 0.000 0.204 222 L C 2.004 179.043 176.870 0.282 0.000 1.076 222 L CA 1.040 56.028 54.840 0.246 0.000 0.753 222 L CB -0.378 41.617 42.059 -0.106 0.000 0.910 222 L HN 0.275 nan 8.230 nan 0.000 0.439 223 W N -0.999 120.479 121.300 0.296 0.000 2.338 223 W HA -0.212 4.454 4.660 0.010 0.000 0.304 223 W C 2.132 178.933 176.519 0.469 0.000 1.212 223 W CA 0.132 57.679 57.345 0.337 0.000 1.264 223 W CB -0.285 29.374 29.460 0.331 0.000 1.142 223 W HN 0.134 nan 8.180 nan 0.000 0.512 224 F N -0.370 119.819 119.950 0.398 0.000 2.502 224 F HA -0.048 4.485 4.527 0.010 0.000 0.298 224 F C 2.071 178.008 175.800 0.228 0.000 1.111 224 F CA 0.617 58.783 58.000 0.276 0.000 1.445 224 F CB -1.302 37.852 39.000 0.256 0.000 1.081 224 F HN -0.086 nan 8.300 nan 0.000 0.558 225 L N -1.757 119.735 121.223 0.447 0.000 2.298 225 L HA 0.029 4.376 4.340 0.010 0.000 0.209 225 L C 2.239 179.235 176.870 0.211 0.000 1.084 225 L CA 0.681 55.686 54.840 0.275 0.000 0.816 225 L CB -0.334 41.927 42.059 0.336 0.000 0.967 225 L HN -0.122 nan 8.230 nan 0.000 0.460 226 S N -0.249 115.626 115.700 0.291 0.000 2.481 226 S HA -0.004 4.472 4.470 0.010 0.000 0.231 226 S C 1.699 176.339 174.600 0.066 0.000 0.996 226 S CA 0.525 58.866 58.200 0.236 0.000 0.942 226 S CB -0.141 63.339 63.200 0.467 0.000 0.768 226 S HN 0.335 nan 8.310 nan 0.000 0.520 227 L N -0.323 120.951 121.223 0.085 0.000 2.071 227 L HA 0.037 4.383 4.340 0.010 0.000 0.201 227 L C 2.079 178.816 176.870 -0.222 0.000 1.076 227 L CA 1.632 56.408 54.840 -0.108 0.000 0.755 227 L CB -1.141 40.897 42.059 -0.035 0.000 0.915 227 L HN 0.391 nan 8.230 nan 0.000 0.445 228 Y N 0.378 120.576 120.300 -0.170 0.000 2.224 228 Y HA -0.211 4.345 4.550 0.010 0.000 0.289 228 Y C 2.388 178.143 175.900 -0.243 0.000 1.146 228 Y CA 1.620 59.608 58.100 -0.188 0.000 1.182 228 Y CB -0.492 37.894 38.460 -0.124 0.000 0.983 228 Y HN -0.085 nan 8.280 nan 0.000 0.524 229 V N -0.169 119.772 119.914 0.046 0.000 2.307 229 V HA -0.282 3.844 4.120 0.010 0.000 0.245 229 V C 2.201 178.154 176.094 -0.235 0.000 1.045 229 V CA 2.044 64.255 62.300 -0.148 0.000 1.024 229 V CB -0.602 30.996 31.823 -0.375 0.000 0.651 229 V HN 0.331 nan 8.190 nan 0.000 0.449 230 I N 0.720 121.135 120.570 -0.258 0.000 2.406 230 I HA 0.017 4.193 4.170 0.010 0.000 0.249 230 I C 2.343 178.217 176.117 -0.404 0.000 1.122 230 I CA 1.430 62.560 61.300 -0.284 0.000 1.431 230 I CB -1.173 36.657 38.000 -0.284 0.000 1.087 230 I HN 0.246 nan 8.210 nan 0.000 0.424 231 G N 0.106 108.497 108.800 -0.681 0.000 2.556 231 G HA2 -0.129 3.837 3.960 0.010 0.000 0.215 231 G HA3 -0.129 3.837 3.960 0.010 0.000 0.215 231 G C 1.688 176.318 174.900 -0.450 0.000 1.258 231 G CA 1.095 45.593 45.100 -1.004 0.000 0.811 231 G HN 0.203 nan 8.290 nan 0.000 0.557 232 V N 0.479 120.087 119.914 -0.510 0.000 2.307 232 V HA -0.133 3.993 4.120 0.010 0.000 0.245 232 V C 2.924 178.858 176.094 -0.265 0.000 1.045 232 V CA 2.190 64.230 62.300 -0.435 0.000 1.024 232 V CB -0.456 30.846 31.823 -0.868 0.000 0.651 232 V HN 0.444 nan 8.190 nan 0.000 0.449 233 S N -0.876 114.663 115.700 -0.269 0.000 2.396 233 S HA -0.245 4.231 4.470 0.010 0.000 0.204 233 S C 2.188 176.800 174.600 0.020 0.000 1.060 233 S CA 1.529 59.699 58.200 -0.050 0.000 1.098 233 S CB -0.832 62.349 63.200 -0.031 0.000 1.022 233 S HN 0.678 nan 8.310 nan 0.000 0.413 234 C N 1.351 120.633 119.300 -0.029 0.000 2.367 234 C HA -0.242 4.224 4.460 0.010 0.000 0.266 234 C C 2.716 177.726 174.990 0.033 0.000 1.108 234 C CA 2.634 61.653 59.018 0.002 0.000 1.845 234 C CB -2.131 25.580 27.740 -0.049 0.000 2.155 234 C HN 0.780 nan 8.230 nan 0.000 0.446 235 T N -1.366 113.193 114.554 0.008 0.000 2.684 235 T HA -0.193 4.163 4.350 0.010 0.000 0.267 235 T C 1.439 176.190 174.700 0.084 0.000 1.036 235 T CA 2.088 64.208 62.100 0.034 0.000 1.148 235 T CB -0.588 68.290 68.868 0.016 0.000 0.863 235 T HN 0.780 nan 8.240 nan 0.000 0.436 236 Y N 1.809 122.096 120.300 -0.021 0.000 2.200 236 Y HA -0.122 4.434 4.550 0.010 0.000 0.290 236 Y C 2.164 178.132 175.900 0.114 0.000 1.137 236 Y CA 1.319 59.436 58.100 0.028 0.000 1.163 236 Y CB -0.594 37.868 38.460 0.003 0.000 0.988 236 Y HN 0.137 nan 8.280 nan 0.000 0.518 237 D N -0.327 120.156 120.400 0.139 0.000 2.126 237 D HA -0.226 4.420 4.640 0.010 0.000 0.190 237 D C 2.306 178.609 176.300 0.004 0.000 1.001 237 D CA 2.583 56.638 54.000 0.091 0.000 0.841 237 D CB -0.389 40.498 40.800 0.144 0.000 0.949 237 D HN 0.336 nan 8.370 nan 0.000 0.446 238 V N -1.367 118.561 119.914 0.024 0.000 2.667 238 V HA -0.101 4.025 4.120 0.010 0.000 0.252 238 V C 2.180 178.236 176.094 -0.064 0.000 1.065 238 V CA 1.290 63.587 62.300 -0.006 0.000 1.083 238 V CB -1.214 30.625 31.823 0.027 0.000 0.692 238 V HN 0.245 nan 8.190 nan 0.000 0.468 239 F N 2.270 122.072 119.950 -0.247 0.000 2.120 239 F HA -0.243 4.290 4.527 0.010 0.000 0.300 239 F C 1.983 177.550 175.800 -0.389 0.000 1.095 239 F CA 2.375 60.155 58.000 -0.367 0.000 1.249 239 F CB -0.185 38.497 39.000 -0.530 0.000 0.995 239 F HN 0.229 nan 8.300 nan 0.000 0.480 240 D N -0.296 119.760 120.400 -0.575 0.000 2.277 240 D HA -0.136 4.510 4.640 0.010 0.000 0.208 240 D C 2.178 178.245 176.300 -0.389 0.000 0.962 240 D CA 0.564 54.208 54.000 -0.594 0.000 0.865 240 D CB -0.076 40.404 40.800 -0.532 0.000 0.939 240 D HN 0.380 nan 8.370 nan 0.000 0.510 241 Q N 0.166 119.743 119.800 -0.371 0.000 1.954 241 Q HA -0.295 4.051 4.340 0.010 0.000 0.215 241 Q C 2.116 177.708 176.000 -0.681 0.000 1.026 241 Q CA 1.650 57.026 55.803 -0.712 0.000 0.881 241 Q CB -0.668 27.546 28.738 -0.874 0.000 0.977 241 Q HN 0.331 nan 8.270 nan 0.000 0.416 242 Q N -0.254 119.230 119.800 -0.526 0.000 2.137 242 Q HA -0.016 4.330 4.340 0.010 0.000 0.198 242 Q C 1.745 177.444 176.000 -0.502 0.000 0.960 242 Q CA 0.541 56.054 55.803 -0.483 0.000 0.847 242 Q CB -0.377 28.027 28.738 -0.558 0.000 0.915 242 Q HN 0.339 nan 8.270 nan 0.000 0.448 243 F N 0.744 120.269 119.950 -0.708 0.000 2.131 243 F HA -0.416 4.117 4.527 0.010 0.000 0.295 243 F C 1.773 177.385 175.800 -0.313 0.000 1.046 243 F CA 1.618 59.241 58.000 -0.629 0.000 1.290 243 F CB -0.323 38.161 39.000 -0.861 0.000 1.042 243 F HN 0.152 nan 8.300 nan 0.000 0.498 244 A N -0.184 122.498 122.820 -0.230 0.000 1.978 244 A HA -0.225 4.101 4.320 0.010 0.000 0.220 244 A C 1.987 179.356 177.584 -0.358 0.000 1.170 244 A CA 1.958 53.695 52.037 -0.501 0.000 0.636 244 A CB -0.661 17.976 19.000 -0.604 0.000 0.810 244 A HN 0.578 nan 8.150 nan 0.000 0.448 245 N N -1.534 117.035 118.700 -0.219 0.000 2.395 245 N HA -0.011 4.735 4.740 0.010 0.000 0.175 245 N C 1.297 176.846 175.510 0.064 0.000 1.029 245 N CA 0.891 53.879 53.050 -0.104 0.000 0.897 245 N CB -0.377 37.984 38.487 -0.209 0.000 0.991 245 N HN 0.584 nan 8.380 nan 0.000 0.441 246 F N 0.761 120.655 119.950 -0.094 0.000 2.365 246 F HA -0.015 4.518 4.527 0.010 0.000 0.300 246 F C 1.866 177.711 175.800 0.076 0.000 1.090 246 F CA 0.496 58.542 58.000 0.076 0.000 1.408 246 F CB -0.120 38.645 39.000 -0.392 0.000 1.060 246 F HN -0.141 nan 8.300 nan 0.000 0.534 247 F N 1.604 121.440 119.950 -0.189 0.000 2.074 247 F HA -0.080 4.453 4.527 0.010 0.000 0.290 247 F C 2.815 178.713 175.800 0.163 0.000 1.118 247 F CA 2.256 60.197 58.000 -0.099 0.000 1.199 247 F CB -1.170 37.742 39.000 -0.146 0.000 1.012 247 F HN 0.017 nan 8.300 nan 0.000 0.472 248 T N -1.558 113.080 114.554 0.139 0.000 2.896 248 T HA -0.236 4.120 4.350 0.010 0.000 0.270 248 T C 2.158 176.912 174.700 0.090 0.000 1.104 248 T CA 1.412 63.572 62.100 0.100 0.000 1.115 248 T CB -1.247 67.656 68.868 0.059 0.000 0.843 248 T HN 0.442 nan 8.240 nan 0.000 0.523 249 S N 1.468 117.171 115.700 0.005 0.000 2.371 249 S HA 0.009 4.485 4.470 0.010 0.000 0.224 249 S C 1.363 175.812 174.600 -0.252 0.000 1.029 249 S CA 0.200 58.302 58.200 -0.163 0.000 0.978 249 S CB -1.028 61.965 63.200 -0.344 0.000 0.833 249 S HN 0.456 nan 8.310 nan 0.000 0.466 250 F N 1.734 121.452 119.950 -0.386 0.000 2.772 250 F HA 0.396 4.929 4.527 0.010 0.000 0.301 250 F C 0.115 175.454 175.800 -0.768 0.000 1.250 250 F CA -0.416 57.255 58.000 -0.547 0.000 1.441 250 F CB -1.039 37.568 39.000 -0.655 0.000 1.112 250 F HN 0.093 nan 8.300 nan 0.000 0.563 251 F N -1.754 118.124 119.950 -0.119 0.000 2.593 251 F HA 0.611 5.144 4.527 0.010 0.000 0.320 251 F C 1.168 176.922 175.800 -0.075 0.000 1.060 251 F CA -1.127 56.813 58.000 -0.099 0.000 0.940 251 F CB 0.786 39.714 39.000 -0.121 0.000 1.268 251 F HN -0.142 nan 8.300 nan 0.000 0.475 252 A N 0.733 123.666 122.820 0.187 0.000 2.106 252 A HA -0.096 4.230 4.320 0.010 0.000 0.207 252 A C 0.839 178.465 177.584 0.070 0.000 1.226 252 A CA 1.764 53.857 52.037 0.093 0.000 0.783 252 A CB -1.375 17.690 19.000 0.108 0.000 0.826 252 A HN 0.677 nan 8.150 nan 0.000 0.507 253 T N -0.736 113.864 114.554 0.076 0.000 2.909 253 T HA 0.459 4.815 4.350 0.010 0.000 0.289 253 T C 1.391 176.126 174.700 0.058 0.000 1.005 253 T CA 0.091 62.218 62.100 0.046 0.000 1.084 253 T CB 1.558 70.447 68.868 0.034 0.000 0.975 253 T HN 0.591 nan 8.240 nan 0.000 0.509 254 G N 0.801 109.627 108.800 0.043 0.000 2.421 254 G HA2 -0.102 3.864 3.960 0.010 0.000 0.217 254 G HA3 -0.102 3.864 3.960 0.010 0.000 0.217 254 G C 0.806 175.735 174.900 0.048 0.000 1.143 254 G CA 0.135 45.267 45.100 0.053 0.000 0.784 254 G HN 0.783 nan 8.290 nan 0.000 0.541 255 E N -0.128 120.092 120.200 0.033 0.000 2.322 255 E HA 0.114 4.470 4.350 0.010 0.000 0.195 255 E C 1.496 178.106 176.600 0.017 0.000 1.198 255 E CA 0.245 56.659 56.400 0.024 0.000 1.132 255 E CB 0.069 29.769 29.700 0.000 0.000 1.213 255 E HN 0.790 nan 8.360 nan 0.000 0.450 256 Q N -3.008 116.795 119.800 0.005 0.000 1.925 256 Q HA 0.062 4.408 4.340 0.010 0.000 0.211 256 Q C 1.542 177.451 176.000 -0.152 0.000 0.698 256 Q CA 0.391 56.181 55.803 -0.021 0.000 0.840 256 Q CB -0.405 28.351 28.738 0.029 0.000 1.218 256 Q HN 0.110 nan 8.270 nan 0.000 0.432 257 G N 0.272 108.987 108.800 -0.142 0.000 2.744 257 G HA2 -0.011 3.955 3.960 0.010 0.000 0.211 257 G HA3 -0.011 3.955 3.960 0.010 0.000 0.211 257 G C 0.927 175.743 174.900 -0.140 0.000 1.143 257 G CA 1.214 46.094 45.100 -0.367 0.000 0.788 257 G HN 0.300 nan 8.290 nan 0.000 0.534 258 T N 0.683 115.244 114.554 0.013 0.000 2.896 258 T HA 0.019 4.375 4.350 0.010 0.000 0.238 258 T C 2.393 177.168 174.700 0.124 0.000 1.045 258 T CA 0.553 62.769 62.100 0.194 0.000 1.248 258 T CB -0.125 68.896 68.868 0.255 0.000 0.955 258 T HN 0.196 nan 8.240 nan 0.000 0.416 259 R N 0.697 121.161 120.500 -0.060 0.000 2.224 259 R HA -0.198 4.148 4.340 0.010 0.000 0.251 259 R C 2.327 178.159 176.300 -0.780 0.000 1.123 259 R CA 1.918 57.757 56.100 -0.435 0.000 0.944 259 R CB -1.641 28.456 30.300 -0.338 0.000 0.910 259 R HN 0.206 nan 8.270 nan 0.000 0.440 260 V N 0.923 120.631 119.914 -0.343 0.000 2.278 260 V HA -0.305 3.821 4.120 0.010 0.000 0.251 260 V C 2.095 178.311 176.094 0.203 0.000 1.062 260 V CA 2.262 64.581 62.300 0.030 0.000 1.038 260 V CB -0.673 31.045 31.823 -0.175 0.000 0.646 260 V HN 0.245 nan 8.190 nan 0.000 0.447 261 F N 1.822 121.853 119.950 0.136 0.000 2.069 261 F HA -0.097 4.437 4.527 0.010 0.000 0.298 261 F C 2.255 177.998 175.800 -0.095 0.000 1.113 261 F CA 1.748 59.772 58.000 0.041 0.000 1.214 261 F CB -1.100 37.939 39.000 0.065 0.000 0.978 261 F HN 0.155 nan 8.300 nan 0.000 0.474 262 G N -1.372 107.402 108.800 -0.043 0.000 2.462 262 G HA2 -0.298 3.668 3.960 0.010 0.000 0.220 262 G HA3 -0.298 3.668 3.960 0.010 0.000 0.220 262 G C 1.549 176.406 174.900 -0.073 0.000 1.121 262 G CA 1.150 46.204 45.100 -0.077 0.000 0.758 262 G HN 0.539 nan 8.290 nan 0.000 0.559 263 Y N 0.104 120.411 120.300 0.012 0.000 2.176 263 Y HA -0.077 4.480 4.550 0.011 0.000 0.291 263 Y C 2.990 178.878 175.900 -0.020 0.000 1.122 263 Y CA 0.381 58.492 58.100 0.018 0.000 1.128 263 Y CB -0.212 38.289 38.460 0.069 0.000 1.005 263 Y HN 0.031 nan 8.280 nan 0.000 0.509 264 V N -0.175 119.819 119.914 0.133 0.000 2.469 264 V HA -0.305 3.822 4.120 0.010 0.000 0.251 264 V C 1.986 178.041 176.094 -0.064 0.000 1.064 264 V CA 2.314 64.640 62.300 0.044 0.000 1.066 264 V CB -1.359 30.454 31.823 -0.016 0.000 0.667 264 V HN 0.519 nan 8.190 nan 0.000 0.461 265 T N -1.224 113.195 114.554 -0.225 0.000 2.851 265 T HA -0.135 4.222 4.350 0.010 0.000 0.262 265 T C 1.951 176.601 174.700 -0.084 0.000 1.043 265 T CA 1.601 63.561 62.100 -0.234 0.000 1.140 265 T CB -0.523 68.031 68.868 -0.523 0.000 0.872 265 T HN 0.467 nan 8.240 nan 0.000 0.446 266 T N 2.330 116.854 114.554 -0.051 0.000 2.759 266 T HA -0.008 4.348 4.350 0.010 0.000 0.269 266 T C 1.761 176.510 174.700 0.081 0.000 1.042 266 T CA 0.922 63.041 62.100 0.031 0.000 1.140 266 T CB -0.287 68.638 68.868 0.095 0.000 0.864 266 T HN 0.112 nan 8.240 nan 0.000 0.455 267 M N 0.986 120.637 119.600 0.084 0.000 2.630 267 M HA 0.171 4.658 4.480 0.010 0.000 0.254 267 M C 2.404 178.766 176.300 0.103 0.000 1.092 267 M CA 0.143 55.498 55.300 0.092 0.000 1.087 267 M CB -1.516 31.142 32.600 0.097 0.000 1.453 267 M HN 0.323 nan 8.290 nan 0.000 0.509 268 G N 0.218 109.085 108.800 0.112 0.000 2.433 268 G HA2 -0.183 3.783 3.960 0.010 0.000 0.216 268 G HA3 -0.183 3.783 3.960 0.010 0.000 0.216 268 G C 1.412 176.396 174.900 0.140 0.000 1.186 268 G CA 0.493 45.677 45.100 0.140 0.000 0.779 268 G HN 0.338 nan 8.290 nan 0.000 0.543 269 E N 0.817 121.119 120.200 0.170 0.000 2.033 269 E HA -0.085 4.271 4.350 0.010 0.000 0.199 269 E C 2.455 179.117 176.600 0.103 0.000 1.011 269 E CA 0.362 56.857 56.400 0.158 0.000 0.815 269 E CB -0.814 29.003 29.700 0.196 0.000 0.755 269 E HN 0.231 nan 8.360 nan 0.000 0.451 270 L N 0.660 121.939 121.223 0.094 0.000 2.661 270 L HA -0.148 4.199 4.340 0.010 0.000 0.236 270 L C 1.854 178.749 176.870 0.042 0.000 1.176 270 L CA 0.896 55.773 54.840 0.062 0.000 0.836 270 L CB -0.692 41.403 42.059 0.061 0.000 0.960 270 L HN 0.144 nan 8.230 nan 0.000 0.455 271 L N -1.109 120.141 121.223 0.046 0.000 3.031 271 L HA 0.126 4.472 4.340 0.010 0.000 0.167 271 L C 1.940 178.789 176.870 -0.035 0.000 1.203 271 L CA 1.084 55.926 54.840 0.004 0.000 0.857 271 L CB -0.615 41.479 42.059 0.059 0.000 1.368 271 L HN 0.058 nan 8.230 nan 0.000 0.534 272 N N 0.381 119.083 118.700 0.002 0.000 2.132 272 N HA -0.249 4.498 4.740 0.010 0.000 0.191 272 N C 1.723 177.235 175.510 0.004 0.000 1.015 272 N CA 2.080 55.122 53.050 -0.013 0.000 0.864 272 N CB -0.168 38.338 38.487 0.032 0.000 1.006 272 N HN 0.570 nan 8.380 nan 0.000 0.430 273 A N -0.207 122.641 122.820 0.046 0.000 1.851 273 A HA -0.161 4.165 4.320 0.010 0.000 0.216 273 A C 2.396 180.067 177.584 0.145 0.000 1.195 273 A CA 2.157 54.250 52.037 0.094 0.000 0.622 273 A CB -1.159 17.900 19.000 0.099 0.000 0.831 273 A HN 0.433 nan 8.150 nan 0.000 0.444 274 S N 0.293 116.033 115.700 0.067 0.000 2.351 274 S HA -0.163 4.313 4.470 0.010 0.000 0.220 274 S C 1.856 176.481 174.600 0.042 0.000 1.035 274 S CA 1.533 59.760 58.200 0.046 0.000 1.031 274 S CB -0.581 62.569 63.200 -0.084 0.000 0.928 274 S HN 0.472 nan 8.310 nan 0.000 0.433 275 I N 1.444 121.944 120.570 -0.118 0.000 2.113 275 I HA -0.256 3.920 4.170 0.010 0.000 0.242 275 I C 2.426 178.493 176.117 -0.083 0.000 1.057 275 I CA 1.673 62.851 61.300 -0.203 0.000 1.314 275 I CB -1.276 36.564 38.000 -0.267 0.000 1.022 275 I HN 0.301 nan 8.210 nan 0.000 0.408 276 M N 0.272 119.849 119.600 -0.039 0.000 2.192 276 M HA -0.233 4.254 4.480 0.010 0.000 0.259 276 M C 2.024 178.334 176.300 0.017 0.000 1.071 276 M CA 1.655 56.928 55.300 -0.045 0.000 1.082 276 M CB -0.805 31.777 32.600 -0.031 0.000 1.373 276 M HN 0.071 nan 8.290 nan 0.000 0.408 277 F N -0.587 119.397 119.950 0.057 0.000 2.000 277 F HA -0.289 4.244 4.527 0.010 0.000 0.296 277 F C 1.890 177.789 175.800 0.165 0.000 1.159 277 F CA 2.186 60.267 58.000 0.135 0.000 1.183 277 F CB -0.967 38.189 39.000 0.259 0.000 0.959 277 F HN 0.085 nan 8.300 nan 0.000 0.490 278 F N 0.150 120.177 119.950 0.129 0.000 2.043 278 F HA -0.243 4.290 4.527 0.010 0.000 0.297 278 F C 2.523 178.292 175.800 -0.053 0.000 1.118 278 F CA 0.938 58.961 58.000 0.039 0.000 1.202 278 F CB -1.848 37.173 39.000 0.035 0.000 0.965 278 F HN 0.120 nan 8.300 nan 0.000 0.482 279 A N 1.064 123.939 122.820 0.092 0.000 1.818 279 A HA -0.373 3.953 4.320 0.010 0.000 0.310 279 A C 0.141 177.679 177.584 -0.077 0.000 3.572 279 A CA 3.298 55.239 52.037 -0.159 0.000 0.984 279 A CB -2.686 16.142 19.000 -0.286 0.000 0.719 279 A HN 0.343 nan 8.150 nan 0.000 0.500 280 P HA -0.273 nan 4.420 nan 0.000 0.205 280 P C 1.770 179.069 177.300 -0.002 0.000 1.046 280 P CA 2.030 65.100 63.100 -0.049 0.000 0.968 280 P CB -0.528 31.119 31.700 -0.087 0.000 0.753 281 L N -0.220 120.996 121.223 -0.011 0.000 2.167 281 L HA -0.291 4.056 4.340 0.010 0.000 0.241 281 L C 2.671 179.573 176.870 0.054 0.000 1.123 281 L CA 2.840 57.685 54.840 0.008 0.000 0.849 281 L CB -1.536 40.516 42.059 -0.010 0.000 0.947 281 L HN -0.048 nan 8.230 nan 0.000 0.449 282 I N -0.874 119.752 120.570 0.093 0.000 2.091 282 I HA -0.350 3.826 4.170 0.010 0.000 0.239 282 I C 2.454 178.661 176.117 0.150 0.000 1.061 282 I CA 1.788 63.178 61.300 0.149 0.000 1.317 282 I CB -0.760 37.375 38.000 0.225 0.000 1.031 282 I HN 0.387 nan 8.210 nan 0.000 0.401 283 I N 1.449 122.101 120.570 0.136 0.000 2.145 283 I HA -0.308 3.869 4.170 0.010 0.000 0.244 283 I C 1.847 178.037 176.117 0.122 0.000 1.075 283 I CA 2.000 63.389 61.300 0.149 0.000 1.332 283 I CB -1.940 36.123 38.000 0.105 0.000 1.033 283 I HN 0.363 nan 8.210 nan 0.000 0.410 284 N N 0.516 119.269 118.700 0.090 0.000 2.521 284 N HA -0.049 4.697 4.740 0.010 0.000 0.188 284 N C 1.671 177.222 175.510 0.068 0.000 1.146 284 N CA 0.451 53.546 53.050 0.076 0.000 0.893 284 N CB -0.047 38.472 38.487 0.053 0.000 0.975 284 N HN 0.451 nan 8.380 nan 0.000 0.451 285 R N -0.816 119.731 120.500 0.078 0.000 2.225 285 R HA 0.265 4.611 4.340 0.010 0.000 0.194 285 R C 1.363 177.709 176.300 0.076 0.000 0.949 285 R CA -0.032 56.109 56.100 0.068 0.000 1.088 285 R CB -0.043 30.298 30.300 0.068 0.000 1.106 285 R HN 0.083 nan 8.270 nan 0.000 0.566 286 I N 0.832 121.460 120.570 0.097 0.000 2.439 286 I HA 0.135 4.312 4.170 0.010 0.000 0.251 286 I C 0.343 176.514 176.117 0.090 0.000 1.139 286 I CA 1.309 62.666 61.300 0.096 0.000 1.438 286 I CB -0.034 38.041 38.000 0.126 0.000 1.085 286 I HN 0.323 nan 8.210 nan 0.000 0.427 287 G N 0.116 108.977 108.800 0.102 0.000 3.129 287 G HA2 0.008 3.974 3.960 0.010 0.000 0.385 287 G HA3 0.008 3.974 3.960 0.010 0.000 0.385 287 G C 0.828 175.807 174.900 0.131 0.000 1.046 287 G CA 0.085 45.248 45.100 0.105 0.000 0.933 287 G HN 0.895 nan 8.290 nan 0.000 0.424 288 G N 2.407 111.304 108.800 0.161 0.000 3.645 288 G HA2 -0.500 3.466 3.960 0.010 0.000 0.296 288 G HA3 -0.500 3.466 3.960 0.010 0.000 0.296 288 G C 1.853 176.847 174.900 0.156 0.000 1.048 288 G CA 2.203 47.424 45.100 0.202 0.000 0.970 288 G HN 1.499 nan 8.290 nan 0.000 1.298 289 K N 0.226 120.760 120.400 0.224 0.000 2.066 289 K HA -0.342 3.984 4.320 0.010 0.000 0.221 289 K C 2.393 178.995 176.600 0.003 0.000 1.056 289 K CA 2.403 58.730 56.287 0.067 0.000 0.950 289 K CB -0.477 32.126 32.500 0.172 0.000 0.726 289 K HN 0.418 nan 8.250 nan 0.000 0.456 290 N N 0.203 118.932 118.700 0.047 0.000 2.036 290 N HA -0.166 4.581 4.740 0.010 0.000 0.195 290 N C 1.624 177.147 175.510 0.022 0.000 1.037 290 N CA 1.909 54.975 53.050 0.026 0.000 0.855 290 N CB -0.499 38.013 38.487 0.041 0.000 1.033 290 N HN 0.415 nan 8.380 nan 0.000 0.423 291 A N -0.047 122.813 122.820 0.067 0.000 2.121 291 A HA 0.018 4.344 4.320 0.010 0.000 0.218 291 A C 2.138 179.768 177.584 0.075 0.000 1.154 291 A CA 0.691 52.791 52.037 0.105 0.000 0.679 291 A CB -0.453 18.696 19.000 0.247 0.000 0.795 291 A HN 0.263 nan 8.150 nan 0.000 0.458 292 L N -0.938 120.283 121.223 -0.004 0.000 2.270 292 L HA 0.015 4.361 4.340 0.010 0.000 0.210 292 L C 2.240 179.140 176.870 0.050 0.000 1.104 292 L CA 0.423 55.207 54.840 -0.094 0.000 0.804 292 L CB -0.148 41.632 42.059 -0.466 0.000 0.937 292 L HN 0.399 nan 8.230 nan 0.000 0.450 293 L N -1.232 120.009 121.223 0.030 0.000 2.095 293 L HA -0.188 4.158 4.340 0.010 0.000 0.204 293 L C 2.454 179.330 176.870 0.011 0.000 1.080 293 L CA 0.427 55.306 54.840 0.066 0.000 0.759 293 L CB -0.441 41.623 42.059 0.009 0.000 0.914 293 L HN 0.206 nan 8.230 nan 0.000 0.439 294 L N 0.758 121.957 121.223 -0.041 0.000 2.021 294 L HA -0.256 4.090 4.340 0.010 0.000 0.215 294 L C 2.657 179.454 176.870 -0.121 0.000 1.074 294 L CA 2.203 56.963 54.840 -0.133 0.000 0.760 294 L CB -0.702 41.202 42.059 -0.260 0.000 0.889 294 L HN 0.201 nan 8.230 nan 0.000 0.433 295 A N -1.111 121.688 122.820 -0.035 0.000 1.930 295 A HA -0.036 4.290 4.320 0.010 0.000 0.217 295 A C 2.328 179.877 177.584 -0.058 0.000 1.175 295 A CA 1.457 53.490 52.037 -0.006 0.000 0.627 295 A CB -1.401 17.658 19.000 0.099 0.000 0.815 295 A HN 0.527 nan 8.150 nan 0.000 0.443 296 G N -1.090 107.709 108.800 -0.002 0.000 2.408 296 G HA2 -0.101 3.866 3.960 0.010 0.000 0.217 296 G HA3 -0.101 3.866 3.960 0.010 0.000 0.217 296 G C 1.497 176.331 174.900 -0.109 0.000 1.150 296 G CA 1.506 46.550 45.100 -0.093 0.000 0.776 296 G HN 0.425 nan 8.290 nan 0.000 0.542 297 T N 1.586 116.092 114.554 -0.080 0.000 2.849 297 T HA -0.087 4.269 4.350 0.010 0.000 0.270 297 T C 2.141 176.778 174.700 -0.106 0.000 1.066 297 T CA 0.935 62.983 62.100 -0.087 0.000 1.130 297 T CB 0.007 68.826 68.868 -0.081 0.000 0.864 297 T HN 0.148 nan 8.240 nan 0.000 0.481 298 I N 0.249 120.746 120.570 -0.122 0.000 2.594 298 I HA 0.181 4.357 4.170 0.010 0.000 0.237 298 I C 2.344 178.371 176.117 -0.150 0.000 1.071 298 I CA 0.547 61.773 61.300 -0.123 0.000 1.427 298 I CB -1.604 36.330 38.000 -0.109 0.000 1.218 298 I HN 0.187 nan 8.210 nan 0.000 0.444 299 M N 0.840 120.292 119.600 -0.246 0.000 2.345 299 M HA -0.368 4.118 4.480 0.010 0.000 0.253 299 M C 2.613 178.803 176.300 -0.184 0.000 1.068 299 M CA 2.665 57.725 55.300 -0.399 0.000 1.069 299 M CB -0.462 31.808 32.600 -0.550 0.000 1.292 299 M HN 0.248 nan 8.290 nan 0.000 0.430 300 S N -0.494 115.098 115.700 -0.180 0.000 2.359 300 S HA -0.171 4.305 4.470 0.010 0.000 0.222 300 S C 1.687 176.185 174.600 -0.169 0.000 1.038 300 S CA 1.800 59.902 58.200 -0.164 0.000 1.051 300 S CB -0.373 62.749 63.200 -0.129 0.000 0.944 300 S HN 0.350 nan 8.310 nan 0.000 0.433 301 V N 2.046 121.879 119.914 -0.135 0.000 2.332 301 V HA -0.187 3.939 4.120 0.010 0.000 0.248 301 V C 2.588 178.617 176.094 -0.109 0.000 1.055 301 V CA 2.072 64.301 62.300 -0.118 0.000 1.038 301 V CB -0.726 31.041 31.823 -0.093 0.000 0.651 301 V HN 0.415 nan 8.190 nan 0.000 0.450 302 R N -0.277 120.167 120.500 -0.094 0.000 2.091 302 R HA -0.156 4.190 4.340 0.010 0.000 0.238 302 R C 2.248 178.431 176.300 -0.196 0.000 1.136 302 R CA 1.910 57.986 56.100 -0.041 0.000 0.959 302 R CB -0.324 30.018 30.300 0.069 0.000 0.856 302 R HN 0.507 nan 8.270 nan 0.000 0.437 303 I N 0.303 120.558 120.570 -0.526 0.000 2.113 303 I HA -0.319 3.858 4.170 0.010 0.000 0.238 303 I C 2.201 178.140 176.117 -0.296 0.000 1.070 303 I CA 1.210 61.983 61.300 -0.877 0.000 1.332 303 I CB -0.362 37.160 38.000 -0.797 0.000 1.044 303 I HN 0.100 nan 8.210 nan 0.000 0.402 304 I N 1.322 121.765 120.570 -0.212 0.000 2.163 304 I HA -0.214 3.962 4.170 0.010 0.000 0.243 304 I C 2.654 178.700 176.117 -0.119 0.000 1.085 304 I CA 1.927 63.124 61.300 -0.171 0.000 1.347 304 I CB -1.188 36.665 38.000 -0.245 0.000 1.044 304 I HN 0.228 nan 8.210 nan 0.000 0.408 305 G N -0.547 108.212 108.800 -0.068 0.000 2.553 305 G HA2 -0.308 3.658 3.960 0.010 0.000 0.218 305 G HA3 -0.308 3.658 3.960 0.010 0.000 0.218 305 G C 1.809 176.847 174.900 0.231 0.000 1.195 305 G CA 1.291 46.420 45.100 0.049 0.000 0.779 305 G HN 0.414 nan 8.290 nan 0.000 0.577 306 S N 0.219 116.101 115.700 0.304 0.000 2.387 306 S HA -0.170 4.306 4.470 0.010 0.000 0.230 306 S C 2.456 177.421 174.600 0.608 0.000 1.035 306 S CA 1.488 59.996 58.200 0.513 0.000 1.014 306 S CB -0.369 63.201 63.200 0.618 0.000 0.836 306 S HN 0.447 nan 8.310 nan 0.000 0.466 307 S N -0.324 115.700 115.700 0.540 0.000 2.547 307 S HA 0.047 4.524 4.470 0.010 0.000 0.235 307 S C 0.453 175.549 174.600 0.826 0.000 0.980 307 S CA 0.598 59.168 58.200 0.617 0.000 0.941 307 S CB -0.252 63.256 63.200 0.514 0.000 0.763 307 S HN 0.420 nan 8.310 nan 0.000 0.532 308 F N 1.235 121.340 119.950 0.258 0.000 2.735 308 F HA 0.561 5.094 4.527 0.010 0.000 0.308 308 F C 0.740 176.671 175.800 0.219 0.000 1.112 308 F CA -1.380 56.740 58.000 0.200 0.000 1.235 308 F CB -0.454 38.629 39.000 0.137 0.000 1.027 308 F HN 0.105 nan 8.300 nan 0.000 0.528 309 A N 0.151 123.246 122.820 0.458 0.000 2.386 309 A HA 0.522 4.848 4.320 0.010 0.000 0.248 309 A C 1.084 178.915 177.584 0.412 0.000 1.082 309 A CA 0.750 53.000 52.037 0.355 0.000 0.789 309 A CB 0.200 19.320 19.000 0.200 0.000 1.025 309 A HN 0.376 nan 8.150 nan 0.000 0.490 310 T N -1.860 112.900 114.554 0.344 0.000 3.098 310 T HA 0.229 4.586 4.350 0.010 0.000 0.256 310 T C 0.808 175.660 174.700 0.252 0.000 0.921 310 T CA 0.588 62.836 62.100 0.247 0.000 0.916 310 T CB -0.615 68.317 68.868 0.107 0.000 1.246 310 T HN 1.170 nan 8.240 nan 0.000 0.511 311 S N 0.440 116.279 115.700 0.231 0.000 2.801 311 S HA 0.894 5.370 4.470 0.010 0.000 0.312 311 S C 1.399 176.015 174.600 0.027 0.000 1.112 311 S CA -0.263 58.010 58.200 0.123 0.000 0.943 311 S CB 1.261 64.472 63.200 0.019 0.000 1.269 311 S HN 0.322 nan 8.310 nan 0.000 0.558 312 A N -0.024 122.687 122.820 -0.182 0.000 1.861 312 A HA 0.201 4.527 4.320 0.010 0.000 0.212 312 A C 2.034 179.501 177.584 -0.195 0.000 1.199 312 A CA 0.895 52.643 52.037 -0.482 0.000 0.613 312 A CB -1.321 17.202 19.000 -0.794 0.000 0.846 312 A HN 0.760 nan 8.150 nan 0.000 0.446 313 L N 0.821 122.003 121.223 -0.067 0.000 2.051 313 L HA -0.255 4.092 4.340 0.010 0.000 0.214 313 L C 2.290 179.200 176.870 0.066 0.000 1.076 313 L CA 2.525 57.389 54.840 0.041 0.000 0.758 313 L CB -0.725 41.359 42.059 0.042 0.000 0.890 313 L HN 0.572 nan 8.230 nan 0.000 0.433 314 E N -1.518 118.697 120.200 0.026 0.000 2.031 314 E HA -0.240 4.116 4.350 0.010 0.000 0.193 314 E C 2.213 178.870 176.600 0.095 0.000 0.994 314 E CA 1.476 57.909 56.400 0.055 0.000 0.800 314 E CB -0.629 29.096 29.700 0.041 0.000 0.752 314 E HN 0.377 nan 8.360 nan 0.000 0.447 315 V N 1.359 121.272 119.914 -0.001 0.000 2.688 315 V HA -0.141 3.985 4.120 0.010 0.000 0.256 315 V C 1.640 178.045 176.094 0.518 0.000 1.084 315 V CA 1.178 63.561 62.300 0.138 0.000 1.103 315 V CB 0.040 31.659 31.823 -0.340 0.000 0.688 315 V HN 0.066 nan 8.190 nan 0.000 0.480 316 V N 0.524 120.698 119.914 0.433 0.000 3.337 316 V HA 0.197 4.324 4.120 0.010 0.000 0.343 316 V C 1.174 177.455 176.094 0.312 0.000 1.302 316 V CA 0.400 63.017 62.300 0.528 0.000 1.268 316 V CB 0.256 32.380 31.823 0.502 0.000 1.185 316 V HN 0.409 nan 8.190 nan 0.000 0.447 317 I N -1.418 119.304 120.570 0.253 0.000 4.774 317 I HA 0.178 4.354 4.170 0.010 0.000 0.330 317 I C 1.606 177.805 176.117 0.137 0.000 1.287 317 I CA 0.697 62.088 61.300 0.152 0.000 1.311 317 I CB 0.486 38.550 38.000 0.108 0.000 1.315 317 I HN 0.250 nan 8.210 nan 0.000 0.459 318 L N 0.548 121.908 121.223 0.229 0.000 2.162 318 L HA 0.039 4.385 4.340 0.010 0.000 0.205 318 L C 2.334 179.317 176.870 0.189 0.000 1.086 318 L CA 0.852 55.834 54.840 0.237 0.000 0.778 318 L CB -0.292 42.013 42.059 0.410 0.000 0.928 318 L HN 0.039 nan 8.230 nan 0.000 0.446 319 K N 0.159 120.710 120.400 0.252 0.000 2.439 319 K HA -0.062 4.264 4.320 0.010 0.000 0.197 319 K C 1.310 177.977 176.600 0.112 0.000 1.041 319 K CA 1.255 57.609 56.287 0.111 0.000 0.970 319 K CB 0.043 32.578 32.500 0.058 0.000 0.773 319 K HN 0.361 nan 8.250 nan 0.000 0.479 320 T N -0.452 114.181 114.554 0.131 0.000 3.060 320 T HA 0.154 4.510 4.350 0.010 0.000 0.249 320 T C 1.778 176.521 174.700 0.071 0.000 1.079 320 T CA -0.201 61.977 62.100 0.129 0.000 1.013 320 T CB 0.298 69.240 68.868 0.124 0.000 0.975 320 T HN 0.054 nan 8.240 nan 0.000 0.518 321 L N 0.551 121.783 121.223 0.015 0.000 2.162 321 L HA 0.075 4.421 4.340 0.010 0.000 0.205 321 L C 2.630 179.558 176.870 0.097 0.000 1.086 321 L CA 1.115 55.899 54.840 -0.093 0.000 0.778 321 L CB -0.565 41.450 42.059 -0.074 0.000 0.928 321 L HN 0.306 nan 8.230 nan 0.000 0.446 322 H N 0.609 119.739 119.070 0.100 0.000 2.496 322 H HA -0.222 4.340 4.556 0.010 0.000 0.296 322 H C 2.071 177.525 175.328 0.210 0.000 1.107 322 H CA 1.709 57.867 56.048 0.183 0.000 1.263 322 H CB 0.168 30.006 29.762 0.126 0.000 1.369 322 H HN 0.176 nan 8.280 nan 0.000 0.541 323 M N -1.472 118.195 119.600 0.112 0.000 2.216 323 M HA -0.041 4.445 4.480 0.010 0.000 0.264 323 M C 1.756 178.223 176.300 0.279 0.000 1.080 323 M CA 0.826 56.221 55.300 0.158 0.000 1.153 323 M CB -0.832 31.941 32.600 0.289 0.000 1.356 323 M HN 0.175 nan 8.290 nan 0.000 0.432 324 F N 1.639 121.622 119.950 0.055 0.000 2.095 324 F HA -0.163 4.371 4.527 0.010 0.000 0.298 324 F C 2.599 178.534 175.800 0.226 0.000 1.104 324 F CA 1.264 59.356 58.000 0.154 0.000 1.232 324 F CB -1.311 37.764 39.000 0.125 0.000 0.987 324 F HN 0.305 nan 8.300 nan 0.000 0.475 325 E N 1.029 121.412 120.200 0.305 0.000 2.002 325 E HA -0.243 4.114 4.350 0.010 0.000 0.213 325 E C 2.385 179.080 176.600 0.157 0.000 1.024 325 E CA 2.071 58.568 56.400 0.163 0.000 0.876 325 E CB -0.810 28.864 29.700 -0.042 0.000 0.799 325 E HN 0.087 nan 8.360 nan 0.000 0.497 326 V N 1.981 121.899 119.914 0.007 0.000 2.277 326 V HA -0.351 3.775 4.120 0.010 0.000 0.255 326 V C -0.532 175.595 176.094 0.055 0.000 1.059 326 V CA 3.379 65.685 62.300 0.010 0.000 1.096 326 V CB -1.795 29.980 31.823 -0.079 0.000 0.741 326 V HN 0.403 nan 8.190 nan 0.000 0.476 327 P HA -0.214 nan 4.420 nan 0.000 0.214 327 P C 1.446 178.701 177.300 -0.075 0.000 1.164 327 P CA 1.993 65.036 63.100 -0.095 0.000 0.942 327 P CB -0.265 31.291 31.700 -0.240 0.000 0.791 328 F N -2.205 117.764 119.950 0.032 0.000 2.605 328 F HA -0.115 4.418 4.527 0.010 0.000 0.296 328 F C 2.001 177.833 175.800 0.053 0.000 1.146 328 F CA 0.587 58.614 58.000 0.045 0.000 1.478 328 F CB -0.775 38.250 39.000 0.043 0.000 1.107 328 F HN -0.042 nan 8.300 nan 0.000 0.600 329 L N -0.090 121.256 121.223 0.206 0.000 2.471 329 L HA 0.058 4.404 4.340 0.010 0.000 0.186 329 L C 2.181 179.158 176.870 0.177 0.000 1.191 329 L CA 1.011 55.958 54.840 0.177 0.000 0.835 329 L CB -1.084 41.071 42.059 0.159 0.000 1.092 329 L HN -0.064 nan 8.230 nan 0.000 0.495 330 L N -0.921 120.404 121.223 0.170 0.000 2.042 330 L HA -0.111 4.235 4.340 0.010 0.000 0.210 330 L C 2.363 179.352 176.870 0.198 0.000 1.076 330 L CA 1.815 56.773 54.840 0.196 0.000 0.749 330 L CB -2.332 39.820 42.059 0.156 0.000 0.893 330 L HN 0.195 nan 8.230 nan 0.000 0.432 331 V N 1.438 121.427 119.914 0.124 0.000 2.515 331 V HA -0.099 4.028 4.120 0.010 0.000 0.250 331 V C 2.900 179.106 176.094 0.186 0.000 1.058 331 V CA 1.667 64.029 62.300 0.102 0.000 1.064 331 V CB -1.158 30.652 31.823 -0.021 0.000 0.675 331 V HN 0.592 nan 8.190 nan 0.000 0.461 332 G N -1.356 107.549 108.800 0.175 0.000 2.404 332 G HA2 -0.211 3.755 3.960 0.010 0.000 0.213 332 G HA3 -0.211 3.755 3.960 0.010 0.000 0.213 332 G C 1.765 176.777 174.900 0.187 0.000 1.189 332 G CA 1.086 46.295 45.100 0.180 0.000 0.796 332 G HN 0.492 nan 8.290 nan 0.000 0.532 333 C N 0.030 119.430 119.300 0.167 0.000 2.401 333 C HA -0.088 4.378 4.460 0.010 0.000 0.276 333 C C 2.413 177.485 174.990 0.137 0.000 1.233 333 C CA 0.892 59.995 59.018 0.141 0.000 1.753 333 C CB -1.199 26.659 27.740 0.197 0.000 2.029 333 C HN 0.457 nan 8.230 nan 0.000 0.478 334 F N 1.922 121.941 119.950 0.114 0.000 2.026 334 F HA -0.188 4.345 4.527 0.010 0.000 0.296 334 F C 2.239 178.105 175.800 0.109 0.000 1.133 334 F CA 2.035 60.106 58.000 0.119 0.000 1.188 334 F CB -0.349 38.698 39.000 0.077 0.000 0.968 334 F HN -0.055 nan 8.300 nan 0.000 0.476 335 K N -0.784 119.858 120.400 0.402 0.000 2.360 335 K HA -0.174 4.153 4.320 0.010 0.000 0.201 335 K C 1.598 178.295 176.600 0.161 0.000 1.046 335 K CA 1.298 57.755 56.287 0.284 0.000 0.945 335 K CB -0.757 31.917 32.500 0.290 0.000 0.750 335 K HN 0.595 nan 8.250 nan 0.000 0.464 336 Y N -0.061 120.256 120.300 0.028 0.000 2.205 336 Y HA -0.036 4.520 4.550 0.010 0.000 0.292 336 Y C 1.661 177.581 175.900 0.034 0.000 1.119 336 Y CA 0.860 58.980 58.100 0.034 0.000 1.117 336 Y CB -0.029 38.444 38.460 0.021 0.000 1.037 336 Y HN -0.174 nan 8.280 nan 0.000 0.510 337 I N 1.135 121.777 120.570 0.120 0.000 2.093 337 I HA -0.432 3.744 4.170 0.010 0.000 0.239 337 I C 2.523 178.603 176.117 -0.062 0.000 1.026 337 I CA 2.632 63.868 61.300 -0.107 0.000 1.295 337 I CB -1.724 36.099 38.000 -0.296 0.000 1.007 337 I HN 0.514 nan 8.210 nan 0.000 0.401 338 T N -0.744 113.677 114.554 -0.220 0.000 2.607 338 T HA -0.178 4.178 4.350 0.010 0.000 0.267 338 T C 1.819 176.477 174.700 -0.069 0.000 1.049 338 T CA 1.978 63.967 62.100 -0.185 0.000 1.162 338 T CB -1.062 67.601 68.868 -0.342 0.000 0.863 338 T HN 0.315 nan 8.240 nan 0.000 0.424 339 S N 1.209 116.862 115.700 -0.079 0.000 2.537 339 S HA -0.020 4.456 4.470 0.010 0.000 0.240 339 S C 1.783 176.290 174.600 -0.156 0.000 0.981 339 S CA 0.901 59.051 58.200 -0.084 0.000 0.948 339 S CB -0.296 62.868 63.200 -0.059 0.000 0.759 339 S HN 0.414 nan 8.310 nan 0.000 0.531 340 Q N -1.107 118.598 119.800 -0.159 0.000 2.211 340 Q HA 0.456 4.803 4.340 0.010 0.000 0.242 340 Q C -0.737 175.086 176.000 -0.295 0.000 0.825 340 Q CA 0.188 55.832 55.803 -0.265 0.000 0.951 340 Q CB 0.577 28.977 28.738 -0.563 0.000 1.130 340 Q HN 0.402 nan 8.270 nan 0.000 0.496 341 F N 0.249 120.121 119.950 -0.130 0.000 2.611 341 F HA 0.434 4.967 4.527 0.010 0.000 0.324 341 F C 0.192 176.003 175.800 0.020 0.000 1.061 341 F CA -1.348 56.654 58.000 0.002 0.000 0.954 341 F CB 1.091 40.118 39.000 0.044 0.000 1.301 341 F HN -0.282 nan 8.300 nan 0.000 0.482 342 E N 1.036 121.399 120.200 0.272 0.000 2.265 342 E HA 0.122 4.478 4.350 0.010 0.000 0.272 342 E C 0.838 177.396 176.600 -0.070 0.000 1.067 342 E CA -0.080 56.269 56.400 -0.086 0.000 0.900 342 E CB 1.310 30.602 29.700 -0.679 0.000 1.017 342 E HN 0.468 nan 8.360 nan 0.000 0.431 343 V N 5.407 125.274 119.914 -0.079 0.000 2.313 343 V HA -0.395 3.732 4.120 0.010 0.000 0.253 343 V C 2.374 178.428 176.094 -0.068 0.000 1.070 343 V CA 2.545 64.811 62.300 -0.056 0.000 1.057 343 V CB -0.886 30.898 31.823 -0.065 0.000 0.653 343 V HN 0.743 nan 8.190 nan 0.000 0.450 344 R N 0.054 120.449 120.500 -0.174 0.000 2.096 344 R HA -0.209 4.137 4.340 0.010 0.000 0.240 344 R C 2.313 178.611 176.300 -0.003 0.000 1.139 344 R CA 2.241 58.247 56.100 -0.157 0.000 0.952 344 R CB -1.139 28.971 30.300 -0.316 0.000 0.854 344 R HN 0.467 nan 8.270 nan 0.000 0.436 345 F N 2.601 122.559 119.950 0.014 0.000 2.026 345 F HA -0.326 4.208 4.527 0.010 0.000 0.296 345 F C 3.125 178.926 175.800 0.001 0.000 1.133 345 F CA 1.174 59.187 58.000 0.023 0.000 1.188 345 F CB -0.666 38.388 39.000 0.090 0.000 0.968 345 F HN 0.291 nan 8.300 nan 0.000 0.476 346 S N 1.080 116.905 115.700 0.208 0.000 2.570 346 S HA -0.466 4.010 4.470 0.010 0.000 0.328 346 S C 1.983 176.631 174.600 0.080 0.000 1.282 346 S CA 2.126 60.374 58.200 0.079 0.000 1.204 346 S CB -1.516 61.684 63.200 -0.000 0.000 1.271 346 S HN 0.469 nan 8.310 nan 0.000 0.449 347 A N 1.579 124.408 122.820 0.016 0.000 1.870 347 A HA -0.161 4.165 4.320 0.010 0.000 0.219 347 A C 2.644 180.217 177.584 -0.018 0.000 1.224 347 A CA 3.297 55.298 52.037 -0.060 0.000 0.650 347 A CB -2.028 16.922 19.000 -0.082 0.000 0.836 347 A HN 0.829 nan 8.150 nan 0.000 0.454 348 T N 0.209 114.785 114.554 0.035 0.000 2.684 348 T HA -0.136 4.220 4.350 0.010 0.000 0.267 348 T C 1.827 176.537 174.700 0.017 0.000 1.036 348 T CA 1.296 63.423 62.100 0.045 0.000 1.148 348 T CB -0.356 68.554 68.868 0.069 0.000 0.863 348 T HN 0.283 nan 8.240 nan 0.000 0.436 349 I N 0.439 121.006 120.570 -0.005 0.000 2.145 349 I HA -0.215 3.961 4.170 0.010 0.000 0.244 349 I C 2.128 178.200 176.117 -0.076 0.000 1.075 349 I CA 1.743 62.978 61.300 -0.109 0.000 1.332 349 I CB -0.865 36.965 38.000 -0.284 0.000 1.033 349 I HN 0.265 nan 8.210 nan 0.000 0.410 350 Y N 0.218 120.426 120.300 -0.154 0.000 2.084 350 Y HA -0.241 4.315 4.550 0.010 0.000 0.279 350 Y C 2.527 178.464 175.900 0.061 0.000 1.119 350 Y CA 1.739 59.767 58.100 -0.119 0.000 1.101 350 Y CB -1.016 37.324 38.460 -0.200 0.000 0.989 350 Y HN 0.070 nan 8.280 nan 0.000 0.484 351 L N -0.849 120.477 121.223 0.173 0.000 1.997 351 L HA -0.274 4.072 4.340 0.010 0.000 0.216 351 L C 2.297 179.252 176.870 0.141 0.000 1.074 351 L CA 1.579 56.503 54.840 0.140 0.000 0.763 351 L CB -0.665 41.442 42.059 0.079 0.000 0.890 351 L HN 0.132 nan 8.230 nan 0.000 0.434 352 V N -1.028 118.932 119.914 0.076 0.000 2.261 352 V HA -0.341 3.785 4.120 0.010 0.000 0.246 352 V C 2.530 178.588 176.094 -0.060 0.000 1.047 352 V CA 2.108 64.401 62.300 -0.011 0.000 1.015 352 V CB 0.223 32.022 31.823 -0.040 0.000 0.642 352 V HN 0.756 nan 8.190 nan 0.000 0.446 353 C N -1.233 118.145 119.300 0.129 0.000 2.564 353 C HA 0.059 4.526 4.460 0.010 0.000 0.281 353 C C 2.318 177.445 174.990 0.229 0.000 1.314 353 C CA 0.181 59.362 59.018 0.272 0.000 1.706 353 C CB -0.885 27.051 27.740 0.328 0.000 2.109 353 C HN 0.572 nan 8.230 nan 0.000 0.502 354 F N -0.573 119.379 119.950 0.004 0.000 2.780 354 F HA 0.124 4.657 4.527 0.010 0.000 0.299 354 F C 2.102 177.955 175.800 0.089 0.000 1.146 354 F CA 0.582 58.598 58.000 0.027 0.000 1.428 354 F CB -0.534 38.429 39.000 -0.061 0.000 1.115 354 F HN 0.402 nan 8.300 nan 0.000 0.583 355 C N -1.978 117.472 119.300 0.251 0.000 2.638 355 C HA 0.151 4.617 4.460 0.010 0.000 0.470 355 C C 2.514 177.602 174.990 0.164 0.000 1.382 355 C CA -0.263 58.876 59.018 0.202 0.000 2.604 355 C CB -1.166 26.700 27.740 0.211 0.000 2.937 355 C HN 0.375 nan 8.230 nan 0.000 0.556 356 F N 1.236 121.205 119.950 0.031 0.000 2.163 356 F HA 0.115 4.648 4.527 0.010 0.000 0.297 356 F C 1.675 177.531 175.800 0.094 0.000 1.094 356 F CA 1.888 59.884 58.000 -0.006 0.000 1.290 356 F CB -0.489 38.425 39.000 -0.144 0.000 1.017 356 F HN 0.188 nan 8.300 nan 0.000 0.483 357 F N 0.962 120.841 119.950 -0.118 0.000 2.149 357 F HA 0.009 4.543 4.527 0.010 0.000 0.294 357 F C 2.543 178.207 175.800 -0.226 0.000 1.095 357 F CA 1.286 59.147 58.000 -0.231 0.000 1.276 357 F CB -1.299 37.697 39.000 -0.006 0.000 1.023 357 F HN -0.067 nan 8.300 nan 0.000 0.480 358 K N 0.073 120.512 120.400 0.065 0.000 2.025 358 K HA -0.210 4.116 4.320 0.010 0.000 0.207 358 K C 2.040 178.633 176.600 -0.012 0.000 1.049 358 K CA 1.357 57.638 56.287 -0.011 0.000 0.933 358 K CB -0.151 32.334 32.500 -0.023 0.000 0.714 358 K HN 0.098 nan 8.250 nan 0.000 0.438 359 Q N 0.431 120.231 119.800 -0.000 0.000 2.291 359 Q HA -0.084 4.262 4.340 0.010 0.000 0.206 359 Q C 1.777 177.751 176.000 -0.043 0.000 0.976 359 Q CA 0.758 56.568 55.803 0.012 0.000 0.875 359 Q CB 0.057 28.814 28.738 0.031 0.000 0.927 359 Q HN 0.238 nan 8.270 nan 0.000 0.450 360 L N -0.640 120.493 121.223 -0.149 0.000 2.034 360 L HA 0.083 4.429 4.340 0.010 0.000 0.203 360 L C 1.777 178.538 176.870 -0.182 0.000 1.074 360 L CA 1.888 56.588 54.840 -0.234 0.000 0.748 360 L CB -1.388 40.396 42.059 -0.457 0.000 0.905 360 L HN 0.220 nan 8.230 nan 0.000 0.439 361 A N -0.776 121.944 122.820 -0.167 0.000 2.234 361 A HA -0.186 4.141 4.320 0.010 0.000 0.216 361 A C 2.025 179.599 177.584 -0.017 0.000 1.167 361 A CA 1.521 53.479 52.037 -0.132 0.000 0.698 361 A CB -0.349 18.572 19.000 -0.132 0.000 0.779 361 A HN 0.565 nan 8.150 nan 0.000 0.475 362 M N -1.298 118.315 119.600 0.022 0.000 2.491 362 M HA 0.146 4.633 4.480 0.010 0.000 0.259 362 M C 1.253 177.638 176.300 0.142 0.000 1.163 362 M CA 0.235 55.587 55.300 0.086 0.000 1.109 362 M CB -0.017 32.638 32.600 0.092 0.000 1.353 362 M HN 0.205 nan 8.290 nan 0.000 0.500 363 I N 0.258 120.923 120.570 0.158 0.000 2.361 363 I HA -0.199 3.977 4.170 0.010 0.000 0.251 363 I C 2.068 178.371 176.117 0.311 0.000 1.133 363 I CA 1.765 63.193 61.300 0.214 0.000 1.413 363 I CB -1.096 37.048 38.000 0.239 0.000 1.073 363 I HN 0.149 nan 8.210 nan 0.000 0.424 364 F N 0.039 119.987 119.950 -0.004 0.000 2.164 364 F HA 0.046 4.579 4.527 0.010 0.000 0.287 364 F C 2.599 178.399 175.800 -0.001 0.000 1.086 364 F CA 0.689 58.687 58.000 -0.003 0.000 1.249 364 F CB -0.919 38.072 39.000 -0.015 0.000 1.059 364 F HN -0.123 nan 8.300 nan 0.000 0.490 365 M N 0.206 119.931 119.600 0.207 0.000 2.089 365 M HA -0.227 4.259 4.480 0.010 0.000 0.257 365 M C 2.327 178.657 176.300 0.050 0.000 1.071 365 M CA 2.253 57.613 55.300 0.099 0.000 1.096 365 M CB -1.398 31.245 32.600 0.071 0.000 1.330 365 M HN 0.295 nan 8.290 nan 0.000 0.403 366 S N -0.753 114.991 115.700 0.073 0.000 2.595 366 S HA -0.010 4.466 4.470 0.010 0.000 0.235 366 S C 1.669 176.296 174.600 0.044 0.000 0.974 366 S CA 0.565 58.799 58.200 0.057 0.000 0.942 366 S CB -0.450 62.827 63.200 0.129 0.000 0.766 366 S HN 0.256 nan 8.310 nan 0.000 0.536 367 V N 1.564 121.497 119.914 0.032 0.000 2.436 367 V HA 0.108 4.235 4.120 0.010 0.000 0.240 367 V C 2.109 178.186 176.094 -0.029 0.000 1.040 367 V CA 1.284 63.588 62.300 0.007 0.000 1.052 367 V CB -0.291 31.514 31.823 -0.030 0.000 0.707 367 V HN 0.695 nan 8.190 nan 0.000 0.469 368 L N 0.027 121.229 121.223 -0.035 0.000 2.610 368 L HA 0.322 4.668 4.340 0.010 0.000 0.232 368 L C 1.797 178.599 176.870 -0.114 0.000 1.149 368 L CA 1.810 56.619 54.840 -0.051 0.000 0.872 368 L CB -0.892 41.154 42.059 -0.022 0.000 0.992 368 L HN 0.097 nan 8.230 nan 0.000 0.447 369 A N 0.386 123.102 122.820 -0.173 0.000 1.924 369 A HA 0.344 4.670 4.320 0.010 0.000 0.211 369 A C 2.237 179.400 177.584 -0.702 0.000 1.198 369 A CA 0.730 52.514 52.037 -0.421 0.000 0.657 369 A CB -1.095 17.716 19.000 -0.314 0.000 0.852 369 A HN 0.439 nan 8.150 nan 0.000 0.454 370 G N -0.039 108.605 108.800 -0.261 0.000 2.394 370 G HA2 -0.196 3.771 3.960 0.010 0.000 0.215 370 G HA3 -0.196 3.771 3.960 0.010 0.000 0.215 370 G C 1.315 176.227 174.900 0.019 0.000 1.165 370 G CA 0.885 45.990 45.100 0.009 0.000 0.784 370 G HN 0.635 nan 8.290 nan 0.000 0.535 371 N N -0.331 118.354 118.700 -0.024 0.000 2.443 371 N HA -0.009 4.737 4.740 0.010 0.000 0.184 371 N C 1.999 177.501 175.510 -0.014 0.000 1.037 371 N CA 0.512 53.558 53.050 -0.006 0.000 0.896 371 N CB -0.091 38.385 38.487 -0.018 0.000 0.959 371 N HN 0.313 nan 8.380 nan 0.000 0.442 372 M N -0.531 119.024 119.600 -0.075 0.000 2.447 372 M HA -0.012 4.474 4.480 0.010 0.000 0.266 372 M C 0.670 177.002 176.300 0.054 0.000 1.120 372 M CA 0.899 56.167 55.300 -0.054 0.000 1.166 372 M CB 0.315 32.838 32.600 -0.127 0.000 1.349 372 M HN 0.038 nan 8.290 nan 0.000 0.463 373 Y N 0.597 120.973 120.300 0.126 0.000 2.632 373 Y HA -0.048 4.509 4.550 0.010 0.000 0.301 373 Y C 2.012 177.936 175.900 0.040 0.000 1.172 373 Y CA 0.687 58.882 58.100 0.159 0.000 1.328 373 Y CB -0.685 37.973 38.460 0.331 0.000 1.016 373 Y HN 0.348 nan 8.280 nan 0.000 0.529 374 E N -0.520 119.777 120.200 0.161 0.000 2.052 374 E HA -0.062 4.294 4.350 0.010 0.000 0.192 374 E C 2.396 179.019 176.600 0.038 0.000 0.958 374 E CA 1.055 57.498 56.400 0.072 0.000 0.835 374 E CB -0.392 29.342 29.700 0.055 0.000 0.811 374 E HN 0.024 nan 8.360 nan 0.000 0.462 375 S N -0.526 115.195 115.700 0.036 0.000 2.465 375 S HA -0.046 4.431 4.470 0.010 0.000 0.241 375 S C 1.126 175.742 174.600 0.028 0.000 1.000 375 S CA 0.898 59.111 58.200 0.022 0.000 0.964 375 S CB -0.029 63.182 63.200 0.018 0.000 0.763 375 S HN 0.353 nan 8.310 nan 0.000 0.512 376 I N -0.139 120.462 120.570 0.051 0.000 4.276 376 I HA 0.238 4.415 4.170 0.010 0.000 0.343 376 I C 0.815 176.974 176.117 0.070 0.000 1.345 376 I CA 0.781 62.115 61.300 0.056 0.000 1.156 376 I CB -0.017 38.026 38.000 0.072 0.000 1.682 376 I HN 0.414 nan 8.210 nan 0.000 0.615 377 G N 1.365 110.200 108.800 0.059 0.000 2.740 377 G HA2 -0.340 3.626 3.960 0.010 0.000 0.250 377 G HA3 -0.340 3.626 3.960 0.010 0.000 0.250 377 G C 0.352 175.357 174.900 0.176 0.000 1.358 377 G CA 0.154 45.247 45.100 -0.011 0.000 0.897 377 G HN 0.057 nan 8.290 nan 0.000 0.567 378 F N 0.360 120.239 119.950 -0.120 0.000 1.979 378 F HA -0.036 4.497 4.527 0.010 0.000 0.295 378 F C 3.073 178.575 175.800 -0.496 0.000 1.222 378 F CA 2.123 59.842 58.000 -0.468 0.000 1.165 378 F CB -1.512 37.086 39.000 -0.670 0.000 0.968 378 F HN 0.605 nan 8.300 nan 0.000 0.493 379 Q N 0.065 119.786 119.800 -0.132 0.000 2.362 379 Q HA -0.266 4.080 4.340 0.010 0.000 0.216 379 Q C 2.210 178.319 176.000 0.182 0.000 1.002 379 Q CA 1.623 57.469 55.803 0.072 0.000 0.937 379 Q CB -1.032 27.858 28.738 0.255 0.000 0.937 379 Q HN 0.644 nan 8.270 nan 0.000 0.424 380 G N 0.471 109.360 108.800 0.149 0.000 2.404 380 G HA2 -0.056 3.911 3.960 0.010 0.000 0.213 380 G HA3 -0.056 3.911 3.960 0.010 0.000 0.213 380 G C 1.533 176.563 174.900 0.216 0.000 1.189 380 G CA 0.755 45.954 45.100 0.165 0.000 0.796 380 G HN 0.437 nan 8.290 nan 0.000 0.532 381 A N 0.175 123.152 122.820 0.261 0.000 1.948 381 A HA -0.087 4.239 4.320 0.010 0.000 0.220 381 A C 2.253 180.103 177.584 0.445 0.000 1.177 381 A CA 1.695 53.921 52.037 0.316 0.000 0.636 381 A CB -0.701 18.553 19.000 0.424 0.000 0.815 381 A HN 0.383 nan 8.150 nan 0.000 0.449 382 Y N -0.843 119.602 120.300 0.240 0.000 2.274 382 Y HA -0.087 4.469 4.550 0.010 0.000 0.290 382 Y C 2.140 178.095 175.900 0.092 0.000 1.145 382 Y CA 0.621 58.830 58.100 0.181 0.000 1.203 382 Y CB -0.869 37.708 38.460 0.195 0.000 0.984 382 Y HN 0.316 nan 8.280 nan 0.000 0.533 383 L N -1.394 120.004 121.223 0.291 0.000 2.072 383 L HA -0.157 4.189 4.340 0.010 0.000 0.205 383 L C 2.201 179.132 176.870 0.102 0.000 1.079 383 L CA 0.606 55.553 54.840 0.179 0.000 0.752 383 L CB -0.349 41.834 42.059 0.207 0.000 0.906 383 L HN -0.046 nan 8.230 nan 0.000 0.436 384 V N 0.240 120.224 119.914 0.117 0.000 2.214 384 V HA -0.348 3.779 4.120 0.010 0.000 0.245 384 V C 2.349 178.467 176.094 0.039 0.000 1.047 384 V CA 2.286 64.627 62.300 0.068 0.000 0.998 384 V CB -0.658 31.210 31.823 0.075 0.000 0.633 384 V HN 0.381 nan 8.190 nan 0.000 0.446 385 L N 0.569 121.825 121.223 0.054 0.000 2.079 385 L HA -0.118 4.228 4.340 0.010 0.000 0.210 385 L C 2.693 179.530 176.870 -0.054 0.000 1.081 385 L CA 1.812 56.657 54.840 0.008 0.000 0.752 385 L CB -1.589 40.479 42.059 0.014 0.000 0.896 385 L HN 0.510 nan 8.230 nan 0.000 0.433 386 G N 0.784 109.537 108.800 -0.078 0.000 2.476 386 G HA2 -0.219 3.747 3.960 0.010 0.000 0.218 386 G HA3 -0.219 3.747 3.960 0.010 0.000 0.218 386 G C 1.649 176.492 174.900 -0.096 0.000 1.164 386 G CA 0.889 45.909 45.100 -0.134 0.000 0.768 386 G HN 0.243 nan 8.290 nan 0.000 0.560 387 L N -0.298 120.889 121.223 -0.060 0.000 2.023 387 L HA 0.007 4.353 4.340 0.010 0.000 0.205 387 L C 2.870 179.694 176.870 -0.078 0.000 1.073 387 L CA 0.353 55.154 54.840 -0.066 0.000 0.745 387 L CB -0.778 41.252 42.059 -0.048 0.000 0.900 387 L HN 0.090 nan 8.230 nan 0.000 0.435 388 V N 0.196 120.073 119.914 -0.061 0.000 2.453 388 V HA -0.347 3.779 4.120 0.010 0.000 0.252 388 V C 2.605 178.719 176.094 0.033 0.000 1.068 388 V CA 1.977 64.237 62.300 -0.068 0.000 1.070 388 V CB -0.299 31.532 31.823 0.013 0.000 0.664 388 V HN 0.489 nan 8.190 nan 0.000 0.461 389 A N -0.729 122.104 122.820 0.022 0.000 1.874 389 A HA -0.098 4.228 4.320 0.010 0.000 0.214 389 A C 2.099 179.677 177.584 -0.010 0.000 1.189 389 A CA 1.718 53.771 52.037 0.026 0.000 0.615 389 A CB -0.524 18.444 19.000 -0.053 0.000 0.830 389 A HN 0.543 nan 8.150 nan 0.000 0.443 390 L N -0.179 121.011 121.223 -0.055 0.000 2.093 390 L HA 0.051 4.397 4.340 0.010 0.000 0.208 390 L C 2.302 179.145 176.870 -0.045 0.000 1.085 390 L CA 1.912 56.717 54.840 -0.059 0.000 0.755 390 L CB -0.692 41.321 42.059 -0.076 0.000 0.904 390 L HN 0.320 nan 8.230 nan 0.000 0.435 391 G N -0.189 108.561 108.800 -0.084 0.000 2.587 391 G HA2 -0.339 3.627 3.960 0.010 0.000 0.217 391 G HA3 -0.339 3.627 3.960 0.010 0.000 0.217 391 G C 1.323 176.169 174.900 -0.090 0.000 1.240 391 G CA 1.148 46.165 45.100 -0.138 0.000 0.794 391 G HN 0.382 nan 8.290 nan 0.000 0.580 392 F N 1.763 121.667 119.950 -0.076 0.000 2.111 392 F HA -0.181 4.352 4.527 0.010 0.000 0.300 392 F C 3.178 178.937 175.800 -0.068 0.000 1.088 392 F CA 1.831 59.780 58.000 -0.086 0.000 1.243 392 F CB -1.042 37.878 39.000 -0.134 0.000 0.996 392 F HN 0.108 nan 8.300 nan 0.000 0.483 393 T N 0.527 115.143 114.554 0.103 0.000 2.720 393 T HA -0.200 4.156 4.350 0.010 0.000 0.268 393 T C 2.187 176.928 174.700 0.068 0.000 1.037 393 T CA 1.575 63.701 62.100 0.043 0.000 1.144 393 T CB -0.589 68.268 68.868 -0.018 0.000 0.864 393 T HN 0.217 nan 8.240 nan 0.000 0.444 394 L N 0.315 121.581 121.223 0.072 0.000 2.093 394 L HA 0.001 4.347 4.340 0.010 0.000 0.208 394 L C 2.418 179.445 176.870 0.261 0.000 1.085 394 L CA 0.626 55.538 54.840 0.120 0.000 0.755 394 L CB -0.618 41.514 42.059 0.121 0.000 0.904 394 L HN 0.181 nan 8.230 nan 0.000 0.435 395 I N -0.301 120.400 120.570 0.218 0.000 2.530 395 I HA -0.232 3.944 4.170 0.010 0.000 0.257 395 I C 2.294 178.576 176.117 0.277 0.000 1.179 395 I CA 1.311 62.769 61.300 0.262 0.000 1.440 395 I CB -0.810 37.267 38.000 0.128 0.000 1.087 395 I HN 0.178 nan 8.210 nan 0.000 0.440 396 S N -0.045 115.768 115.700 0.188 0.000 2.503 396 S HA 0.020 4.496 4.470 0.010 0.000 0.217 396 S C 1.818 176.434 174.600 0.026 0.000 0.999 396 S CA 0.113 58.400 58.200 0.145 0.000 0.914 396 S CB 0.249 63.569 63.200 0.201 0.000 0.782 396 S HN 0.333 nan 8.310 nan 0.000 0.520 397 V N 0.171 120.003 119.914 -0.137 0.000 3.488 397 V HA 0.070 4.196 4.120 0.010 0.000 0.273 397 V C 1.040 176.697 176.094 -0.728 0.000 1.209 397 V CA 1.235 63.296 62.300 -0.398 0.000 1.179 397 V CB -1.450 30.057 31.823 -0.528 0.000 0.842 397 V HN 0.384 nan 8.190 nan 0.000 0.515 398 F N 0.857 120.854 119.950 0.079 0.000 2.522 398 F HA 0.067 4.600 4.527 0.010 0.000 0.275 398 F C 2.709 178.599 175.800 0.151 0.000 0.890 398 F CA 0.950 59.004 58.000 0.090 0.000 1.157 398 F CB -0.766 38.267 39.000 0.054 0.000 1.117 398 F HN 0.105 nan 8.300 nan 0.000 0.787 399 T N 0.567 115.314 114.554 0.321 0.000 2.643 399 T HA -0.099 4.257 4.350 0.010 0.000 0.264 399 T C 1.106 176.120 174.700 0.524 0.000 1.045 399 T CA 0.547 62.895 62.100 0.414 0.000 1.155 399 T CB -1.111 67.730 68.868 -0.045 0.000 0.863 399 T HN -0.026 nan 8.240 nan 0.000 0.420 400 L N 2.631 124.054 121.223 0.333 0.000 2.605 400 L HA 0.017 4.364 4.340 0.010 0.000 0.296 400 L C 0.360 177.429 176.870 0.333 0.000 1.255 400 L CA -0.189 54.830 54.840 0.298 0.000 0.879 400 L CB -0.040 42.050 42.059 0.052 0.000 1.124 400 L HN 0.338 nan 8.230 nan 0.000 0.507 401 S N 2.586 118.549 115.700 0.437 0.000 2.506 401 S HA 0.125 4.601 4.470 0.010 0.000 0.291 401 S C 0.826 175.575 174.600 0.248 0.000 1.230 401 S CA -0.191 58.175 58.200 0.277 0.000 1.107 401 S CB 0.688 63.975 63.200 0.145 0.000 0.942 401 S HN 0.813 nan 8.310 nan 0.000 0.502 402 G N 3.985 112.879 108.800 0.156 0.000 2.597 402 G HA2 0.100 4.067 3.960 0.010 0.000 0.283 402 G HA3 0.100 4.067 3.960 0.010 0.000 0.283 402 G C -2.347 172.612 174.900 0.099 0.000 1.319 402 G CA -1.033 44.136 45.100 0.115 0.000 1.054 402 G HN 0.448 nan 8.290 nan 0.000 0.583 403 P HA 0.234 nan 4.420 nan 0.000 0.237 403 P C 0.348 177.668 177.300 0.033 0.000 1.701 403 P CA 1.031 64.166 63.100 0.058 0.000 0.955 403 P CB 0.074 31.805 31.700 0.053 0.000 1.937 404 G N 1.997 110.808 108.800 0.019 0.000 2.417 404 G HA2 -0.163 3.804 3.960 0.010 0.000 0.291 404 G HA3 -0.163 3.804 3.960 0.010 0.000 0.291 404 G C -1.717 173.185 174.900 0.003 0.000 1.094 404 G CA -0.751 44.348 45.100 -0.002 0.000 1.146 404 G HN 0.225 nan 8.290 nan 0.000 0.519 405 P HA 0.080 nan 4.420 nan 0.000 0.221 405 P C 1.373 178.674 177.300 0.001 0.000 1.150 405 P CA 0.655 63.762 63.100 0.011 0.000 0.800 405 P CB 0.323 32.037 31.700 0.022 0.000 0.787 406 L N -2.061 119.155 121.223 -0.011 0.000 3.289 406 L HA 0.405 4.751 4.340 0.010 0.000 0.291 406 L C -0.374 176.483 176.870 -0.022 0.000 1.279 406 L CA -0.116 54.715 54.840 -0.015 0.000 1.025 406 L CB 0.571 42.618 42.059 -0.020 0.000 1.413 406 L HN -0.186 nan 8.230 nan 0.000 0.593 407 S N -0.620 115.067 115.700 -0.021 0.000 2.674 407 S HA 0.222 4.699 4.470 0.010 0.000 0.321 407 S C -0.597 173.992 174.600 -0.019 0.000 0.934 407 S CA -0.477 57.709 58.200 -0.023 0.000 0.827 407 S CB 1.075 64.254 63.200 -0.035 0.000 1.041 407 S HN 0.102 nan 8.310 nan 0.000 0.470 408 L N 4.868 126.084 121.223 -0.012 0.000 2.920 408 L HA 0.596 4.942 4.340 0.010 0.000 0.257 408 L C 0.345 177.211 176.870 -0.006 0.000 1.150 408 L CA 0.787 55.623 54.840 -0.006 0.000 0.959 408 L CB 0.350 42.409 42.059 0.001 0.000 1.321 408 L HN 0.783 nan 8.230 nan 0.000 0.555 409 L N -1.981 119.236 121.223 -0.011 0.000 3.515 409 L HA 0.301 4.648 4.340 0.010 0.000 0.322 409 L C 1.302 178.163 176.870 -0.016 0.000 1.225 409 L CA -0.197 54.637 54.840 -0.010 0.000 1.104 409 L CB 0.097 42.152 42.059 -0.008 0.000 1.506 409 L HN -0.073 nan 8.230 nan 0.000 0.624 410 R N 0.120 120.607 120.500 -0.022 0.000 2.419 410 R HA 0.285 4.632 4.340 0.010 0.000 0.235 410 R C 1.119 177.396 176.300 -0.037 0.000 0.899 410 R CA 0.001 56.084 56.100 -0.028 0.000 1.048 410 R CB 0.366 30.650 30.300 -0.028 0.000 1.182 410 R HN 0.032 nan 8.270 nan 0.000 0.544 411 R N 0.419 120.895 120.500 -0.039 0.000 2.544 411 R HA 0.256 4.602 4.340 0.010 0.000 0.426 411 R C 0.808 177.078 176.300 -0.050 0.000 0.943 411 R CA 0.294 56.361 56.100 -0.055 0.000 1.162 411 R CB 0.416 30.674 30.300 -0.069 0.000 1.588 411 R HN 0.136 nan 8.270 nan 0.000 0.563 412 Q N -1.745 118.037 119.800 -0.031 0.000 2.451 412 Q HA 0.177 4.523 4.340 0.010 0.000 0.216 412 Q C -0.053 175.945 176.000 -0.004 0.000 0.746 412 Q CA 0.521 56.313 55.803 -0.018 0.000 0.940 412 Q CB 0.984 29.716 28.738 -0.010 0.000 1.311 412 Q HN 0.164 nan 8.270 nan 0.000 0.481 413 V N 3.146 123.056 119.914 -0.005 0.000 3.578 413 V HA -0.021 4.105 4.120 0.010 0.000 0.290 413 V C 1.704 177.795 176.094 -0.005 0.000 1.376 413 V CA 0.838 63.138 62.300 -0.000 0.000 1.083 413 V CB 0.322 32.145 31.823 0.000 0.000 0.911 413 V HN 0.381 nan 8.190 nan 0.000 0.433 414 N N 1.078 119.770 118.700 -0.012 0.000 2.080 414 N HA -0.226 4.520 4.740 0.010 0.000 0.189 414 N C 1.690 177.192 175.510 -0.014 0.000 1.036 414 N CA 1.679 54.718 53.050 -0.017 0.000 0.846 414 N CB -0.250 38.221 38.487 -0.027 0.000 1.015 414 N HN 0.392 nan 8.380 nan 0.000 0.423 415 E N 1.093 121.286 120.200 -0.011 0.000 2.106 415 E HA -0.059 4.298 4.350 0.010 0.000 0.192 415 E C 2.111 178.718 176.600 0.011 0.000 0.984 415 E CA 0.496 56.894 56.400 -0.003 0.000 0.806 415 E CB -0.114 29.585 29.700 -0.001 0.000 0.750 415 E HN 0.250 nan 8.360 nan 0.000 0.458 416 V N 0.671 120.594 119.914 0.015 0.000 2.332 416 V HA -0.157 3.969 4.120 0.010 0.000 0.248 416 V C 1.387 177.486 176.094 0.008 0.000 1.055 416 V CA 1.605 63.916 62.300 0.019 0.000 1.038 416 V CB -0.624 31.210 31.823 0.019 0.000 0.651 416 V HN 0.376 nan 8.190 nan 0.000 0.450 417 A N 0.000 122.820 122.820 -0.000 0.000 2.254 417 A HA 0.000 4.326 4.320 0.010 0.000 0.244 417 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 417 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 417 A HN 0.000 nan 8.150 nan 0.000 0.486