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 1im0_1_A DATA FIRST_RESID 8 DATA SEQUENCE VHDAPAVRGS IIANMLQEHD NPFTLYPYDT NYLIYTQTSD LNKEAIASYD DATA SEQUENCE WAENARKDEV KFQLSLAFPL WRGILGPNSV LGASYTQKSW WQLSNSEESS DATA SEQUENCE PFRETNYEPQ LFLGFATDYR FAGWTLRDVE MGYNHDSNGR SDPTSRSWAR DATA SEQUENCE LYTRLMAENG NWLVEVKPWY VVGNTDDNPD ITKYMGYYQL KIGYHLGDAV DATA SEQUENCE LSAKGQYNWN TGYGGAELGL SYPITKHVRL YTQVYSGYGE SLIDYNFNQT DATA SEQUENCE RVGVGVMLND LF 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 8 V HA 0.000 nan 4.120 nan 0.000 0.244 8 V C 0.000 175.930 176.094 -0.273 0.000 1.182 8 V CA 0.000 62.116 62.300 -0.306 0.000 1.235 8 V CB 0.000 31.658 31.823 -0.276 0.000 1.184 9 H N 1.443 120.532 119.070 0.032 0.000 3.784 9 H HA -0.108 4.449 4.556 0.002 0.000 0.307 9 H C -0.028 175.318 175.328 0.031 0.000 0.816 9 H CA 0.792 56.858 56.048 0.030 0.000 0.907 9 H CB -1.068 28.710 29.762 0.026 0.000 1.406 9 H HN 0.831 nan 8.280 nan 0.000 0.331 10 D N 1.860 122.339 120.400 0.131 0.000 2.144 10 D HA 0.172 4.813 4.640 0.001 0.000 0.207 10 D C 1.359 177.704 176.300 0.076 0.000 0.970 10 D CA 0.945 54.994 54.000 0.081 0.000 0.853 10 D CB -0.010 40.824 40.800 0.058 0.000 1.007 10 D HN 0.822 nan 8.370 nan 0.000 0.469 11 A N 2.678 125.541 122.820 0.072 0.000 2.589 11 A HA 0.007 4.328 4.320 0.001 0.000 0.265 11 A C -1.792 175.829 177.584 0.061 0.000 0.973 11 A CA -0.352 51.719 52.037 0.057 0.000 0.902 11 A CB -0.614 18.417 19.000 0.052 0.000 0.846 11 A HN 0.120 nan 8.150 nan 0.000 0.489 12 P HA 0.237 nan 4.420 nan 0.000 0.272 12 P C 1.120 178.457 177.300 0.060 0.000 1.240 12 P CA 0.334 63.467 63.100 0.054 0.000 0.791 12 P CB 0.707 32.434 31.700 0.044 0.000 0.978 13 A N 1.967 124.824 122.820 0.062 0.000 1.894 13 A HA -0.178 4.142 4.320 0.001 0.000 0.220 13 A C 0.714 178.340 177.584 0.071 0.000 1.237 13 A CA 2.279 54.357 52.037 0.069 0.000 0.660 13 A CB -1.780 17.254 19.000 0.057 0.000 0.835 13 A HN 0.526 nan 8.150 nan 0.000 0.461 14 V N -0.160 119.792 119.914 0.062 0.000 3.796 14 V HA -0.231 3.890 4.120 0.001 0.000 0.495 14 V C 0.615 176.768 176.094 0.099 0.000 0.682 14 V CA 1.015 63.360 62.300 0.076 0.000 1.997 14 V CB -1.648 30.222 31.823 0.079 0.000 2.406 14 V HN 1.072 nan 8.190 nan 0.000 0.506 15 R N 4.409 124.974 120.500 0.108 0.000 2.570 15 R HA 0.476 4.816 4.340 0.001 0.000 0.277 15 R C 1.289 177.744 176.300 0.257 0.000 1.039 15 R CA 0.249 56.438 56.100 0.149 0.000 1.065 15 R CB 0.494 30.853 30.300 0.098 0.000 0.964 15 R HN 1.989 nan 8.270 nan 0.000 0.428 16 G N 1.452 110.394 108.800 0.237 0.000 2.241 16 G HA2 -0.336 3.625 3.960 0.001 0.000 0.244 16 G HA3 -0.336 3.625 3.960 0.001 0.000 0.244 16 G C 0.152 175.110 174.900 0.097 0.000 0.998 16 G CA 0.244 45.473 45.100 0.215 0.000 0.621 16 G HN 0.765 nan 8.290 nan 0.000 0.519 17 S N 0.850 116.606 115.700 0.094 0.000 2.416 17 S HA 0.549 5.020 4.470 0.001 0.000 0.302 17 S C 1.927 176.554 174.600 0.044 0.000 1.120 17 S CA -0.101 58.134 58.200 0.059 0.000 1.067 17 S CB -0.076 63.164 63.200 0.068 0.000 1.057 17 S HN 0.316 nan 8.310 nan 0.000 0.518 18 I N 5.387 125.957 120.570 0.000 0.000 2.090 18 I HA -0.192 3.979 4.170 0.001 0.000 0.236 18 I C 1.957 178.090 176.117 0.027 0.000 1.064 18 I CA 1.001 62.298 61.300 -0.005 0.000 1.324 18 I CB -0.247 37.681 38.000 -0.120 0.000 1.044 18 I HN 0.622 nan 8.210 nan 0.000 0.399 19 I N 1.280 121.861 120.570 0.020 0.000 2.127 19 I HA -0.306 3.865 4.170 0.001 0.000 0.241 19 I C 2.929 179.039 176.117 -0.012 0.000 1.075 19 I CA 1.897 63.210 61.300 0.021 0.000 1.334 19 I CB -1.754 36.266 38.000 0.032 0.000 1.040 19 I HN 0.229 nan 8.210 nan 0.000 0.405 20 A N 1.127 123.955 122.820 0.014 0.000 1.892 20 A HA -0.316 4.005 4.320 0.001 0.000 0.218 20 A C 2.184 179.784 177.584 0.026 0.000 1.188 20 A CA 2.551 54.600 52.037 0.021 0.000 0.631 20 A CB -1.150 17.879 19.000 0.047 0.000 0.822 20 A HN 0.513 nan 8.150 nan 0.000 0.447 21 N N -0.603 118.130 118.700 0.055 0.000 2.104 21 N HA -0.133 4.608 4.740 0.001 0.000 0.190 21 N C 1.731 177.260 175.510 0.031 0.000 1.024 21 N CA 2.071 55.190 53.050 0.116 0.000 0.853 21 N CB -0.346 38.240 38.487 0.164 0.000 1.008 21 N HN 0.534 nan 8.380 nan 0.000 0.424 22 M N -0.376 119.128 119.600 -0.160 0.000 2.213 22 M HA -0.102 4.378 4.480 0.001 0.000 0.263 22 M C 1.698 177.717 176.300 -0.469 0.000 1.062 22 M CA 0.966 55.911 55.300 -0.591 0.000 1.105 22 M CB -0.175 32.218 32.600 -0.344 0.000 1.385 22 M HN 0.234 nan 8.290 nan 0.000 0.417 23 L N -0.559 120.537 121.223 -0.212 0.000 2.217 23 L HA -0.115 4.226 4.340 0.001 0.000 0.211 23 L C 0.899 177.765 176.870 -0.006 0.000 1.107 23 L CA 0.306 55.049 54.840 -0.161 0.000 0.783 23 L CB -0.393 41.575 42.059 -0.151 0.000 0.919 23 L HN 0.209 nan 8.230 nan 0.000 0.442 24 Q N 1.152 120.983 119.800 0.051 0.000 2.274 24 Q HA 0.039 4.380 4.340 0.001 0.000 0.280 24 Q C -0.305 175.790 176.000 0.158 0.000 1.047 24 Q CA 0.648 56.546 55.803 0.158 0.000 0.907 24 Q CB 0.646 29.530 28.738 0.244 0.000 1.171 24 Q HN 0.116 nan 8.270 nan 0.000 0.381 25 E N 2.010 122.315 120.200 0.175 0.000 2.231 25 E HA 0.252 4.603 4.350 0.001 0.000 0.277 25 E C -0.769 175.993 176.600 0.270 0.000 0.999 25 E CA -0.286 56.206 56.400 0.153 0.000 0.827 25 E CB 0.661 30.441 29.700 0.133 0.000 1.101 25 E HN 0.673 nan 8.360 nan 0.000 0.393 26 H N 1.348 120.496 119.070 0.130 0.000 2.713 26 H HA 0.178 4.735 4.556 0.001 0.000 0.340 26 H C 0.099 175.448 175.328 0.034 0.000 1.271 26 H CA -1.074 55.000 56.048 0.044 0.000 1.306 26 H CB 1.600 31.336 29.762 -0.043 0.000 1.839 26 H HN 0.570 nan 8.280 nan 0.000 0.627 27 D N -0.185 120.307 120.400 0.154 0.000 2.566 27 D HA -0.107 4.533 4.640 0.001 0.000 0.253 27 D C 0.229 176.569 176.300 0.067 0.000 0.992 27 D CA 0.267 54.318 54.000 0.084 0.000 0.940 27 D CB 0.342 41.175 40.800 0.055 0.000 1.095 27 D HN 0.349 nan 8.370 nan 0.000 0.480 28 N N 2.132 120.874 118.700 0.070 0.000 2.416 28 N HA 0.012 4.753 4.740 0.001 0.000 0.265 28 N C -1.688 173.853 175.510 0.052 0.000 1.195 28 N CA -1.174 51.923 53.050 0.078 0.000 0.943 28 N CB 1.492 40.033 38.487 0.091 0.000 1.115 28 N HN 0.072 nan 8.380 nan 0.000 0.481 29 P HA -0.103 nan 4.420 nan 0.000 0.228 29 P C 0.461 177.591 177.300 -0.283 0.000 1.151 29 P CA 0.956 63.949 63.100 -0.179 0.000 0.770 29 P CB -0.020 31.497 31.700 -0.304 0.000 0.786 30 F N -0.169 119.804 119.950 0.039 0.000 2.765 30 F HA 0.130 4.658 4.527 0.001 0.000 0.302 30 F C 1.008 176.812 175.800 0.008 0.000 1.111 30 F CA 0.302 58.321 58.000 0.031 0.000 1.359 30 F CB -0.668 38.343 39.000 0.018 0.000 1.097 30 F HN -0.264 nan 8.300 nan 0.000 0.577 31 T N 3.220 117.841 114.554 0.113 0.000 2.727 31 T HA 0.371 4.722 4.350 0.001 0.000 0.295 31 T C 0.268 174.932 174.700 -0.061 0.000 0.915 31 T CA -0.066 62.056 62.100 0.037 0.000 1.066 31 T CB 0.262 69.152 68.868 0.037 0.000 0.891 31 T HN -0.059 nan 8.240 nan 0.000 0.516 32 L N 2.900 124.072 121.223 -0.085 0.000 2.431 32 L HA 0.549 4.890 4.340 0.001 0.000 0.260 32 L C -0.520 176.203 176.870 -0.245 0.000 1.098 32 L CA -1.121 53.626 54.840 -0.155 0.000 0.800 32 L CB 0.720 42.711 42.059 -0.112 0.000 1.210 32 L HN 0.549 nan 8.230 nan 0.000 0.465 33 Y N 0.552 120.808 120.300 -0.073 0.000 2.420 33 Y HA 0.421 4.972 4.550 0.001 0.000 0.334 33 Y C -2.096 173.807 175.900 0.005 0.000 1.094 33 Y CA -2.553 55.550 58.100 0.007 0.000 1.126 33 Y CB 0.701 39.160 38.460 -0.001 0.000 1.217 33 Y HN 0.307 nan 8.280 nan 0.000 0.462 34 P HA 0.080 nan 4.420 nan 0.000 0.276 34 P C -0.747 176.697 177.300 0.239 0.000 1.244 34 P CA 0.069 63.274 63.100 0.174 0.000 0.801 34 P CB 1.938 33.717 31.700 0.131 0.000 1.006 35 Y N 0.839 121.196 120.300 0.094 0.000 2.837 35 Y HA 0.228 4.779 4.550 0.001 0.000 0.212 35 Y C 1.114 177.057 175.900 0.072 0.000 0.997 35 Y CA 0.749 58.904 58.100 0.092 0.000 1.530 35 Y CB -0.263 38.266 38.460 0.115 0.000 1.272 35 Y HN 0.238 nan 8.280 nan 0.000 0.480 36 D N -0.181 120.316 120.400 0.162 0.000 2.453 36 D HA 0.162 4.803 4.640 0.001 0.000 0.282 36 D C -0.519 175.835 176.300 0.090 0.000 1.222 36 D CA 0.587 54.624 54.000 0.062 0.000 1.079 36 D CB 0.944 41.839 40.800 0.157 0.000 1.128 36 D HN 0.314 nan 8.370 nan 0.000 0.568 37 T N -0.669 113.949 114.554 0.107 0.000 2.913 37 T HA 0.429 4.780 4.350 0.001 0.000 0.287 37 T C 0.012 174.788 174.700 0.127 0.000 1.008 37 T CA -0.864 61.304 62.100 0.114 0.000 1.067 37 T CB 0.744 69.681 68.868 0.115 0.000 0.996 37 T HN 0.195 nan 8.240 nan 0.000 0.513 38 N N 2.139 120.901 118.700 0.103 0.000 2.443 38 N HA 0.431 5.172 4.740 0.001 0.000 0.269 38 N C -1.376 174.203 175.510 0.114 0.000 0.985 38 N CA -0.419 52.658 53.050 0.045 0.000 0.921 38 N CB 1.787 40.296 38.487 0.036 0.000 1.195 38 N HN 0.878 nan 8.380 nan 0.000 0.492 39 Y N 0.065 120.377 120.300 0.021 0.000 2.670 39 Y HA 0.690 5.241 4.550 0.001 0.000 0.334 39 Y C -1.643 174.321 175.900 0.107 0.000 1.185 39 Y CA -1.274 56.856 58.100 0.050 0.000 1.053 39 Y CB 1.666 40.159 38.460 0.055 0.000 1.298 39 Y HN 0.284 nan 8.280 nan 0.000 0.459 40 L N 4.351 125.754 121.223 0.300 0.000 2.541 40 L HA 0.679 5.020 4.340 0.001 0.000 0.266 40 L C -1.652 175.310 176.870 0.154 0.000 0.966 40 L CA -0.720 54.233 54.840 0.188 0.000 0.871 40 L CB 1.192 43.283 42.059 0.053 0.000 1.232 40 L HN 0.831 nan 8.230 nan 0.000 0.408 41 I N 0.350 121.010 120.570 0.149 0.000 2.689 41 I HA 0.497 4.668 4.170 0.001 0.000 0.299 41 I C -1.452 174.598 176.117 -0.111 0.000 1.059 41 I CA -0.893 60.435 61.300 0.047 0.000 1.055 41 I CB 2.015 40.100 38.000 0.142 0.000 1.243 41 I HN 0.407 nan 8.210 nan 0.000 0.425 42 Y N 2.985 123.338 120.300 0.089 0.000 2.336 42 Y HA 0.488 5.039 4.550 0.001 0.000 0.335 42 Y C 1.034 176.959 175.900 0.042 0.000 1.046 42 Y CA -0.110 58.019 58.100 0.049 0.000 1.198 42 Y CB 1.325 39.798 38.460 0.021 0.000 1.182 42 Y HN 0.707 nan 8.280 nan 0.000 0.502 43 T N 0.140 114.800 114.554 0.177 0.000 2.926 43 T HA 0.636 4.987 4.350 0.001 0.000 0.289 43 T C -0.995 173.779 174.700 0.123 0.000 1.054 43 T CA -1.070 61.112 62.100 0.136 0.000 1.015 43 T CB 2.136 71.091 68.868 0.145 0.000 1.167 43 T HN 0.378 nan 8.240 nan 0.000 0.526 44 Q N 0.908 120.771 119.800 0.105 0.000 2.350 44 Q HA 0.457 4.798 4.340 0.001 0.000 0.255 44 Q C -0.615 175.440 176.000 0.092 0.000 0.951 44 Q CA -0.314 55.540 55.803 0.086 0.000 0.751 44 Q CB 1.650 30.424 28.738 0.060 0.000 1.296 44 Q HN 0.933 nan 8.270 nan 0.000 0.453 45 T N 0.905 115.522 114.554 0.105 0.000 2.849 45 T HA 0.382 4.733 4.350 0.001 0.000 0.284 45 T C 1.003 175.751 174.700 0.080 0.000 1.004 45 T CA 0.452 62.616 62.100 0.107 0.000 1.021 45 T CB 0.674 69.619 68.868 0.128 0.000 1.013 45 T HN 0.735 nan 8.240 nan 0.000 0.527 46 S N 1.278 117.018 115.700 0.067 0.000 2.458 46 S HA 0.169 4.640 4.470 0.001 0.000 0.223 46 S C -0.268 174.365 174.600 0.055 0.000 1.019 46 S CA 0.001 58.225 58.200 0.041 0.000 0.937 46 S CB -0.030 63.174 63.200 0.007 0.000 0.788 46 S HN 0.769 nan 8.310 nan 0.000 0.511 47 D N 0.891 121.352 120.400 0.102 0.000 2.602 47 D HA 0.406 5.047 4.640 0.001 0.000 0.245 47 D C -1.683 174.786 176.300 0.282 0.000 1.325 47 D CA -0.397 53.718 54.000 0.191 0.000 0.952 47 D CB 1.634 42.559 40.800 0.209 0.000 1.317 47 D HN 0.077 nan 8.370 nan 0.000 0.577 48 L N 2.872 124.185 121.223 0.149 0.000 2.356 48 L HA 0.297 4.638 4.340 0.001 0.000 0.282 48 L C -0.004 176.804 176.870 -0.105 0.000 1.132 48 L CA -0.463 54.412 54.840 0.059 0.000 0.923 48 L CB -0.206 41.894 42.059 0.067 0.000 1.278 48 L HN 0.308 nan 8.230 nan 0.000 0.436 49 N N 3.835 122.268 118.700 -0.445 0.000 2.328 49 N HA -0.125 4.616 4.740 0.001 0.000 0.290 49 N C 0.921 176.135 175.510 -0.493 0.000 1.355 49 N CA 0.539 53.001 53.050 -0.979 0.000 1.009 49 N CB 0.374 37.670 38.487 -1.985 0.000 1.426 49 N HN 0.711 nan 8.380 nan 0.000 0.488 50 K N 1.624 121.835 120.400 -0.315 0.000 2.352 50 K HA -0.008 4.313 4.320 0.001 0.000 0.194 50 K C 1.213 177.654 176.600 -0.266 0.000 1.038 50 K CA 0.116 56.252 56.287 -0.251 0.000 1.023 50 K CB 0.264 32.670 32.500 -0.157 0.000 0.840 50 K HN 0.339 nan 8.250 nan 0.000 0.519 51 E N 2.215 122.262 120.200 -0.256 0.000 2.085 51 E HA -0.163 4.188 4.350 0.001 0.000 0.194 51 E C 1.889 178.340 176.600 -0.248 0.000 0.994 51 E CA 1.744 58.017 56.400 -0.213 0.000 0.801 51 E CB -0.135 29.467 29.700 -0.164 0.000 0.743 51 E HN 0.398 nan 8.360 nan 0.000 0.453 52 A N 0.744 123.380 122.820 -0.307 0.000 1.975 52 A HA 0.049 4.370 4.320 0.001 0.000 0.215 52 A C 2.042 179.413 177.584 -0.354 0.000 1.170 52 A CA 0.952 52.815 52.037 -0.291 0.000 0.656 52 A CB -0.567 18.257 19.000 -0.293 0.000 0.821 52 A HN 0.501 nan 8.150 nan 0.000 0.449 53 I N -3.831 116.498 120.570 -0.402 0.000 3.858 53 I HA 0.474 4.645 4.170 0.001 0.000 0.325 53 I C 1.593 177.328 176.117 -0.636 0.000 1.403 53 I CA 0.393 61.325 61.300 -0.613 0.000 1.169 53 I CB -0.053 37.760 38.000 -0.312 0.000 1.077 53 I HN 0.082 nan 8.210 nan 0.000 0.403 54 A N 1.753 124.310 122.820 -0.438 0.000 1.948 54 A HA -0.198 4.122 4.320 0.001 0.000 0.220 54 A C 2.465 179.846 177.584 -0.339 0.000 1.177 54 A CA 2.385 54.224 52.037 -0.330 0.000 0.636 54 A CB -0.836 18.025 19.000 -0.233 0.000 0.815 54 A HN 0.633 nan 8.150 nan 0.000 0.449 55 S N -1.077 114.371 115.700 -0.420 0.000 2.442 55 S HA -0.061 4.409 4.470 0.001 0.000 0.236 55 S C 0.277 174.728 174.600 -0.248 0.000 1.007 55 S CA 0.433 58.441 58.200 -0.320 0.000 0.965 55 S CB -0.512 62.491 63.200 -0.328 0.000 0.773 55 S HN 0.525 nan 8.310 nan 0.000 0.504 56 Y N 3.195 123.321 120.300 -0.289 0.000 2.411 56 Y HA 0.220 4.771 4.550 0.001 0.000 0.333 56 Y C 0.963 176.650 175.900 -0.354 0.000 1.186 56 Y CA -1.859 56.011 58.100 -0.384 0.000 1.381 56 Y CB -0.024 37.920 38.460 -0.861 0.000 1.273 56 Y HN 0.197 nan 8.280 nan 0.000 0.546 57 D N 0.411 120.825 120.400 0.023 0.000 2.413 57 D HA -0.053 4.588 4.640 0.001 0.000 0.237 57 D C 0.479 176.867 176.300 0.146 0.000 1.171 57 D CA -0.081 53.953 54.000 0.057 0.000 0.839 57 D CB -0.807 40.057 40.800 0.108 0.000 0.950 57 D HN 0.741 nan 8.370 nan 0.000 0.499 58 W N -2.455 118.911 121.300 0.109 0.000 2.355 58 W HA 0.539 5.199 4.660 0.001 0.000 0.303 58 W C 0.879 177.444 176.519 0.076 0.000 0.939 58 W CA -0.004 57.385 57.345 0.074 0.000 1.377 58 W CB -0.416 29.078 29.460 0.058 0.000 1.048 58 W HN 0.035 nan 8.180 nan 0.000 0.542 59 A N 2.112 124.662 122.820 -0.451 0.000 1.958 59 A HA -0.310 4.011 4.320 0.001 0.000 0.221 59 A C 1.873 179.397 177.584 -0.100 0.000 1.178 59 A CA 2.553 54.335 52.037 -0.424 0.000 0.642 59 A CB -0.788 17.954 19.000 -0.429 0.000 0.816 59 A HN 0.249 nan 8.150 nan 0.000 0.453 60 E N -0.004 120.171 120.200 -0.042 0.000 2.265 60 E HA -0.121 4.229 4.350 0.001 0.000 0.196 60 E C 0.842 177.480 176.600 0.063 0.000 0.996 60 E CA 1.256 57.658 56.400 0.004 0.000 0.832 60 E CB -0.161 29.544 29.700 0.009 0.000 0.756 60 E HN 0.599 nan 8.360 nan 0.000 0.491 61 N N -0.575 118.210 118.700 0.141 0.000 2.204 61 N HA 0.254 4.995 4.740 0.001 0.000 0.219 61 N C -1.099 174.559 175.510 0.247 0.000 1.151 61 N CA 0.446 53.600 53.050 0.174 0.000 0.867 61 N CB 0.765 39.361 38.487 0.182 0.000 1.043 61 N HN 0.109 nan 8.380 nan 0.000 0.516 62 A N 0.933 123.935 122.820 0.303 0.000 2.567 62 A HA 0.112 4.432 4.320 0.001 0.000 0.240 62 A C 0.614 178.314 177.584 0.193 0.000 1.053 62 A CA 0.291 52.557 52.037 0.382 0.000 0.755 62 A CB 0.159 19.328 19.000 0.282 0.000 0.978 62 A HN 0.242 nan 8.150 nan 0.000 0.507 63 R N 1.459 122.049 120.500 0.150 0.000 2.596 63 R HA 0.311 4.652 4.340 0.001 0.000 0.267 63 R C 0.545 176.896 176.300 0.085 0.000 1.026 63 R CA -0.740 55.409 56.100 0.081 0.000 1.087 63 R CB 0.998 31.318 30.300 0.032 0.000 1.132 63 R HN 0.736 nan 8.270 nan 0.000 0.531 64 K N 1.006 121.446 120.400 0.067 0.000 2.426 64 K HA -0.015 4.306 4.320 0.001 0.000 0.193 64 K C -0.226 176.421 176.600 0.078 0.000 1.028 64 K CA 0.493 56.826 56.287 0.076 0.000 1.047 64 K CB 0.222 32.761 32.500 0.066 0.000 0.821 64 K HN 0.592 nan 8.250 nan 0.000 0.513 65 D N 1.641 122.076 120.400 0.059 0.000 2.392 65 D HA 0.172 4.812 4.640 0.001 0.000 0.228 65 D C -0.596 175.734 176.300 0.051 0.000 1.074 65 D CA -0.213 53.822 54.000 0.059 0.000 0.838 65 D CB 1.107 41.926 40.800 0.032 0.000 1.067 65 D HN -0.015 nan 8.370 nan 0.000 0.511 66 E N 0.702 120.958 120.200 0.092 0.000 2.299 66 E HA 0.447 4.798 4.350 0.001 0.000 0.265 66 E C -0.694 175.948 176.600 0.069 0.000 0.911 66 E CA -1.371 55.073 56.400 0.072 0.000 0.789 66 E CB 2.748 32.552 29.700 0.172 0.000 1.246 66 E HN 0.160 nan 8.360 nan 0.000 0.427 67 V N 2.118 122.033 119.914 0.002 0.000 2.406 67 V HA 0.160 4.280 4.120 0.001 0.000 0.272 67 V C -0.128 175.958 176.094 -0.012 0.000 1.043 67 V CA -0.176 62.115 62.300 -0.014 0.000 0.915 67 V CB 0.847 32.655 31.823 -0.026 0.000 0.988 67 V HN 0.482 nan 8.190 nan 0.000 0.466 68 K N 6.301 126.653 120.400 -0.079 0.000 2.307 68 K HA 0.609 4.930 4.320 0.001 0.000 0.263 68 K C -1.179 175.344 176.600 -0.127 0.000 0.973 68 K CA -0.511 55.601 56.287 -0.293 0.000 0.846 68 K CB 1.093 33.437 32.500 -0.261 0.000 1.100 68 K HN 0.552 nan 8.250 nan 0.000 0.438 69 F N 0.910 120.665 119.950 -0.326 0.000 2.588 69 F HA 0.480 5.008 4.527 0.001 0.000 0.314 69 F C -1.270 174.169 175.800 -0.601 0.000 1.069 69 F CA -0.997 56.775 58.000 -0.379 0.000 0.931 69 F CB 1.585 40.469 39.000 -0.193 0.000 1.260 69 F HN 0.481 nan 8.300 nan 0.000 0.465 70 Q N 2.984 122.485 119.800 -0.499 0.000 2.304 70 Q HA 0.642 4.982 4.340 0.001 0.000 0.270 70 Q C -2.372 173.515 176.000 -0.189 0.000 1.035 70 Q CA -1.031 54.486 55.803 -0.477 0.000 0.781 70 Q CB 2.473 30.700 28.738 -0.852 0.000 1.261 70 Q HN 0.947 nan 8.270 nan 0.000 0.444 71 L N 2.618 123.822 121.223 -0.032 0.000 2.346 71 L HA 0.752 5.093 4.340 0.001 0.000 0.276 71 L C -1.463 175.415 176.870 0.013 0.000 1.006 71 L CA 0.090 54.945 54.840 0.025 0.000 0.817 71 L CB 2.215 44.345 42.059 0.118 0.000 1.272 71 L HN 0.570 nan 8.230 nan 0.000 0.421 72 S N 5.496 121.240 115.700 0.073 0.000 2.653 72 S HA 0.715 5.186 4.470 0.001 0.000 0.268 72 S C -1.486 173.221 174.600 0.178 0.000 1.153 72 S CA -0.567 57.707 58.200 0.123 0.000 1.036 72 S CB 0.276 63.565 63.200 0.148 0.000 1.103 72 S HN 0.598 nan 8.310 nan 0.000 0.466 73 L N 3.239 124.582 121.223 0.200 0.000 2.354 73 L HA 0.962 5.302 4.340 0.001 0.000 0.264 73 L C -0.017 176.876 176.870 0.039 0.000 1.008 73 L CA -1.075 53.808 54.840 0.072 0.000 0.819 73 L CB 2.083 44.088 42.059 -0.089 0.000 1.339 73 L HN 0.694 nan 8.230 nan 0.000 0.420 74 A N 1.287 124.082 122.820 -0.042 0.000 2.337 74 A HA 0.877 5.198 4.320 0.001 0.000 0.329 74 A C -1.382 176.042 177.584 -0.267 0.000 1.146 74 A CA -0.300 51.772 52.037 0.059 0.000 0.800 74 A CB 0.749 19.947 19.000 0.332 0.000 1.220 74 A HN 0.469 nan 8.150 nan 0.000 0.472 75 F N 2.670 122.699 119.950 0.131 0.000 2.434 75 F HA 0.390 4.918 4.527 0.001 0.000 0.355 75 F C -2.259 173.517 175.800 -0.041 0.000 1.115 75 F CA -2.592 55.451 58.000 0.071 0.000 1.010 75 F CB 2.001 41.024 39.000 0.038 0.000 1.234 75 F HN 0.294 nan 8.300 nan 0.000 0.439 76 P HA 0.146 nan 4.420 nan 0.000 0.275 76 P C 0.361 177.675 177.300 0.024 0.000 1.276 76 P CA 0.117 63.187 63.100 -0.049 0.000 0.782 76 P CB 1.126 32.719 31.700 -0.179 0.000 0.851 77 L N 1.439 122.669 121.223 0.013 0.000 2.477 77 L HA 0.252 4.593 4.340 0.001 0.000 0.220 77 L C 0.482 177.460 176.870 0.180 0.000 1.106 77 L CA 0.567 55.444 54.840 0.062 0.000 0.851 77 L CB 0.018 42.092 42.059 0.025 0.000 0.994 77 L HN 0.464 nan 8.230 nan 0.000 0.462 78 W N 1.589 122.834 121.300 -0.092 0.000 3.105 78 W HA 0.245 4.905 4.660 0.001 0.000 0.295 78 W C -0.817 175.651 176.519 -0.086 0.000 1.099 78 W CA -1.441 55.861 57.345 -0.072 0.000 1.184 78 W CB 0.363 29.782 29.460 -0.069 0.000 0.909 78 W HN -0.143 nan 8.180 nan 0.000 0.315 79 R N 1.645 122.326 120.500 0.303 0.000 2.694 79 R HA 0.432 4.772 4.340 0.001 0.000 0.268 79 R C 1.320 177.762 176.300 0.237 0.000 1.061 79 R CA 1.014 57.189 56.100 0.126 0.000 1.133 79 R CB 0.412 30.788 30.300 0.127 0.000 1.020 79 R HN 0.842 nan 8.270 nan 0.000 0.475 80 G N 1.685 110.534 108.800 0.080 0.000 2.175 80 G HA2 -0.321 3.639 3.960 0.001 0.000 0.265 80 G HA3 -0.321 3.639 3.960 0.001 0.000 0.265 80 G C 0.720 175.609 174.900 -0.019 0.000 0.979 80 G CA 0.573 45.763 45.100 0.150 0.000 0.663 80 G HN 0.731 nan 8.290 nan 0.000 0.533 81 I N -0.556 119.819 120.570 -0.325 0.000 2.623 81 I HA 0.001 4.172 4.170 0.001 0.000 0.261 81 I C 1.126 177.029 176.117 -0.357 0.000 1.204 81 I CA 1.397 62.265 61.300 -0.720 0.000 1.444 81 I CB 0.045 37.303 38.000 -1.236 0.000 1.094 81 I HN 0.310 nan 8.210 nan 0.000 0.451 82 L N 0.591 121.696 121.223 -0.197 0.000 2.804 82 L HA 0.413 4.753 4.340 0.001 0.000 0.294 82 L C 0.007 176.916 176.870 0.065 0.000 1.355 82 L CA -0.177 54.639 54.840 -0.040 0.000 0.749 82 L CB 0.658 42.738 42.059 0.035 0.000 1.103 82 L HN 0.281 nan 8.230 nan 0.000 0.542 83 G N 1.055 109.890 108.800 0.058 0.000 2.707 83 G HA2 -0.131 3.830 3.960 0.001 0.000 0.686 83 G HA3 -0.131 3.830 3.960 0.001 0.000 0.686 83 G C -3.069 171.913 174.900 0.137 0.000 1.315 83 G CA -1.070 44.092 45.100 0.102 0.000 0.832 83 G HN 0.068 nan 8.290 nan 0.000 0.573 84 P HA 0.204 nan 4.420 nan 0.000 0.269 84 P C 0.392 177.856 177.300 0.273 0.000 1.215 84 P CA 0.524 63.798 63.100 0.290 0.000 0.780 84 P CB 0.094 31.888 31.700 0.158 0.000 0.898 85 N N -1.793 117.137 118.700 0.382 0.000 2.740 85 N HA -0.156 4.585 4.740 0.001 0.000 0.248 85 N C -0.446 175.031 175.510 -0.055 0.000 1.062 85 N CA 1.224 54.300 53.050 0.044 0.000 0.704 85 N CB -1.667 36.885 38.487 0.109 0.000 0.968 85 N HN 0.696 nan 8.380 nan 0.000 0.547 86 S N -1.958 113.630 115.700 -0.186 0.000 2.595 86 S HA 0.846 5.316 4.470 0.001 0.000 0.281 86 S C -0.871 173.508 174.600 -0.368 0.000 1.117 86 S CA -0.529 57.457 58.200 -0.356 0.000 0.873 86 S CB 3.020 65.982 63.200 -0.396 0.000 1.108 86 S HN 0.481 nan 8.310 nan 0.000 0.477 87 V N 2.497 122.174 119.914 -0.395 0.000 2.924 87 V HA 0.483 4.603 4.120 0.001 0.000 0.300 87 V C -1.608 174.338 176.094 -0.246 0.000 1.227 87 V CA -0.933 61.211 62.300 -0.261 0.000 0.954 87 V CB 1.886 33.604 31.823 -0.176 0.000 1.055 87 V HN 1.098 nan 8.190 nan 0.000 0.429 88 L N 6.883 127.963 121.223 -0.239 0.000 2.283 88 L HA 0.815 5.155 4.340 0.001 0.000 0.287 88 L C 0.237 176.960 176.870 -0.246 0.000 1.073 88 L CA 0.995 55.693 54.840 -0.235 0.000 0.822 88 L CB 0.255 42.185 42.059 -0.215 0.000 1.186 88 L HN 0.926 nan 8.230 nan 0.000 0.436 89 G N 3.655 112.140 108.800 -0.526 0.000 2.714 89 G HA2 0.823 4.783 3.960 0.001 0.000 0.292 89 G HA3 0.823 4.783 3.960 0.001 0.000 0.292 89 G C -1.670 172.534 174.900 -1.160 0.000 1.308 89 G CA -0.187 44.462 45.100 -0.751 0.000 0.964 89 G HN 0.925 nan 8.290 nan 0.000 0.484 90 A N -0.529 121.908 122.820 -0.639 0.000 2.515 90 A HA 0.936 5.257 4.320 0.001 0.000 0.296 90 A C -0.172 177.519 177.584 0.178 0.000 1.094 90 A CA 0.037 51.901 52.037 -0.289 0.000 0.718 90 A CB 1.722 20.664 19.000 -0.096 0.000 1.307 90 A HN 2.038 nan 8.150 nan 0.000 0.408 91 S N -0.415 115.446 115.700 0.269 0.000 2.618 91 S HA 0.751 5.222 4.470 0.001 0.000 0.277 91 S C -1.425 173.377 174.600 0.337 0.000 1.138 91 S CA -0.555 57.807 58.200 0.270 0.000 0.844 91 S CB 1.549 64.537 63.200 -0.353 0.000 1.127 91 S HN 1.617 nan 8.310 nan 0.000 0.474 92 Y N 0.731 121.193 120.300 0.271 0.000 2.322 92 Y HA 0.587 5.138 4.550 0.001 0.000 0.324 92 Y C -1.012 174.988 175.900 0.167 0.000 1.027 92 Y CA -0.191 58.039 58.100 0.217 0.000 1.179 92 Y CB 1.816 40.452 38.460 0.294 0.000 1.136 92 Y HN 0.853 nan 8.280 nan 0.000 0.449 93 T N 6.701 120.972 114.554 -0.472 0.000 2.779 93 T HA 0.341 4.692 4.350 0.001 0.000 0.280 93 T C -1.309 173.025 174.700 -0.610 0.000 0.987 93 T CA -0.562 61.311 62.100 -0.378 0.000 0.966 93 T CB 1.118 69.924 68.868 -0.105 0.000 0.933 93 T HN 0.662 nan 8.240 nan 0.000 0.442 94 Q N 3.041 122.560 119.800 -0.467 0.000 2.292 94 Q HA 0.393 4.734 4.340 0.001 0.000 0.270 94 Q C -1.335 174.497 176.000 -0.280 0.000 1.024 94 Q CA -0.751 54.830 55.803 -0.370 0.000 0.768 94 Q CB 1.094 29.715 28.738 -0.195 0.000 1.250 94 Q HN 0.492 nan 8.270 nan 0.000 0.447 95 K N 2.006 122.205 120.400 -0.335 0.000 2.274 95 K HA 0.540 4.861 4.320 0.001 0.000 0.262 95 K C -1.131 175.056 176.600 -0.689 0.000 0.961 95 K CA -0.552 55.420 56.287 -0.525 0.000 0.833 95 K CB 2.031 34.296 32.500 -0.393 0.000 1.102 95 K HN 0.436 nan 8.250 nan 0.000 0.436 96 S N 2.010 117.045 115.700 -1.107 0.000 2.532 96 S HA 0.423 4.894 4.470 0.001 0.000 0.299 96 S C -1.170 172.987 174.600 -0.738 0.000 1.105 96 S CA -0.884 56.811 58.200 -0.841 0.000 1.018 96 S CB 0.954 63.464 63.200 -1.150 0.000 1.021 96 S HN 0.441 nan 8.310 nan 0.000 0.483 97 W N 2.906 124.166 121.300 -0.066 0.000 2.329 97 W HA 0.323 4.984 4.660 0.001 0.000 0.312 97 W C -1.188 175.372 176.519 0.067 0.000 1.054 97 W CA -0.707 56.643 57.345 0.007 0.000 1.245 97 W CB 1.344 30.818 29.460 0.023 0.000 1.255 97 W HN 0.669 nan 8.180 nan 0.000 0.436 98 W N 5.303 126.487 121.300 -0.193 0.000 2.424 98 W HA 0.294 4.955 4.660 0.001 0.000 0.318 98 W C 0.090 176.388 176.519 -0.369 0.000 1.016 98 W CA -1.275 55.697 57.345 -0.622 0.000 1.268 98 W CB 1.025 29.863 29.460 -1.038 0.000 1.297 98 W HN 0.260 nan 8.180 nan 0.000 0.428 99 Q N 6.682 126.324 119.800 -0.263 0.000 3.107 99 Q HA -0.058 4.282 4.340 0.001 0.000 0.268 99 Q C 1.490 177.152 176.000 -0.563 0.000 1.382 99 Q CA -0.037 55.561 55.803 -0.342 0.000 0.927 99 Q CB 0.266 28.773 28.738 -0.384 0.000 1.755 99 Q HN 0.624 nan 8.270 nan 0.000 0.545 100 L N 1.547 122.279 121.223 -0.818 0.000 1.994 100 L HA -0.186 4.155 4.340 0.001 0.000 0.208 100 L C 2.111 178.676 176.870 -0.509 0.000 1.071 100 L CA 2.555 56.779 54.840 -1.027 0.000 0.745 100 L CB -0.915 40.431 42.059 -1.189 0.000 0.892 100 L HN 0.455 nan 8.230 nan 0.000 0.431 101 S N -0.535 114.967 115.700 -0.331 0.000 2.474 101 S HA -0.165 4.306 4.470 0.001 0.000 0.235 101 S C 1.269 175.770 174.600 -0.166 0.000 0.997 101 S CA 0.718 58.795 58.200 -0.204 0.000 0.949 101 S CB -0.785 62.332 63.200 -0.137 0.000 0.766 101 S HN 0.512 nan 8.310 nan 0.000 0.517 102 N N 2.260 120.845 118.700 -0.192 0.000 3.111 102 N HA 0.157 4.898 4.740 0.001 0.000 0.302 102 N C 1.201 176.626 175.510 -0.142 0.000 1.317 102 N CA 0.403 53.368 53.050 -0.142 0.000 1.151 102 N CB -0.248 38.150 38.487 -0.148 0.000 1.456 102 N HN 0.524 nan 8.380 nan 0.000 0.547 103 S N -0.564 115.062 115.700 -0.123 0.000 2.419 103 S HA -0.146 4.324 4.470 0.001 0.000 0.235 103 S C 1.481 176.047 174.600 -0.056 0.000 1.019 103 S CA 0.601 58.746 58.200 -0.092 0.000 0.982 103 S CB -0.143 63.011 63.200 -0.076 0.000 0.789 103 S HN 0.345 nan 8.310 nan 0.000 0.490 104 E N 1.692 121.867 120.200 -0.043 0.000 2.114 104 E HA -0.168 4.183 4.350 0.001 0.000 0.199 104 E C 1.420 178.017 176.600 -0.006 0.000 1.008 104 E CA 1.343 57.735 56.400 -0.014 0.000 0.810 104 E CB -0.319 29.381 29.700 -0.001 0.000 0.739 104 E HN 0.678 nan 8.360 nan 0.000 0.456 105 E N 0.105 120.290 120.200 -0.026 0.000 2.444 105 E HA 0.105 4.456 4.350 0.001 0.000 0.191 105 E C -0.290 176.266 176.600 -0.074 0.000 1.041 105 E CA -0.164 56.222 56.400 -0.023 0.000 0.883 105 E CB 0.322 30.007 29.700 -0.025 0.000 1.024 105 E HN -0.003 nan 8.360 nan 0.000 0.470 106 S N 0.544 116.208 115.700 -0.061 0.000 3.884 106 S HA -0.164 4.307 4.470 0.001 0.000 0.374 106 S C 0.038 174.597 174.600 -0.068 0.000 0.971 106 S CA 0.608 58.782 58.200 -0.044 0.000 1.152 106 S CB -1.932 61.262 63.200 -0.009 0.000 0.877 106 S HN 0.324 nan 8.310 nan 0.000 0.491 107 S N 0.140 115.763 115.700 -0.129 0.000 3.292 107 S HA -0.160 4.310 4.470 0.001 0.000 0.360 107 S C -1.084 173.471 174.600 -0.076 0.000 0.930 107 S CA 0.992 59.093 58.200 -0.164 0.000 1.317 107 S CB -0.968 62.178 63.200 -0.090 0.000 0.920 107 S HN 0.711 nan 8.310 nan 0.000 0.540 108 P HA 0.412 nan 4.420 nan 0.000 0.276 108 P C -0.288 176.908 177.300 -0.174 0.000 1.244 108 P CA -0.594 62.301 63.100 -0.341 0.000 0.801 108 P CB 0.520 31.607 31.700 -1.022 0.000 1.006 109 F N 1.161 121.094 119.950 -0.028 0.000 2.411 109 F HA 0.329 4.857 4.527 0.001 0.000 0.355 109 F C 2.127 177.965 175.800 0.064 0.000 1.117 109 F CA -0.126 57.916 58.000 0.070 0.000 1.139 109 F CB 1.116 40.107 39.000 -0.014 0.000 1.120 109 F HN 0.314 nan 8.300 nan 0.000 0.493 110 R N 1.727 122.410 120.500 0.305 0.000 2.153 110 R HA 0.017 4.357 4.340 0.001 0.000 0.218 110 R C -0.271 176.257 176.300 0.380 0.000 1.072 110 R CA 1.090 57.493 56.100 0.506 0.000 0.990 110 R CB 0.291 30.907 30.300 0.528 0.000 0.889 110 R HN 0.742 nan 8.270 nan 0.000 0.452 111 E N -1.196 119.221 120.200 0.361 0.000 2.401 111 E HA 0.204 4.555 4.350 0.001 0.000 0.283 111 E C -1.933 174.854 176.600 0.311 0.000 1.053 111 E CA -0.548 56.021 56.400 0.281 0.000 0.842 111 E CB 1.900 31.687 29.700 0.144 0.000 1.222 111 E HN -0.002 nan 8.360 nan 0.000 0.429 112 T N 3.187 117.819 114.554 0.130 0.000 2.971 112 T HA 0.489 4.840 4.350 0.001 0.000 0.304 112 T C -1.155 173.389 174.700 -0.261 0.000 1.038 112 T CA -0.822 61.207 62.100 -0.119 0.000 1.007 112 T CB 0.811 69.444 68.868 -0.392 0.000 1.055 112 T HN 0.456 nan 8.240 nan 0.000 0.451 113 N N 2.029 120.590 118.700 -0.231 0.000 2.424 113 N HA 0.419 5.159 4.740 0.001 0.000 0.271 113 N C -1.419 173.887 175.510 -0.340 0.000 0.985 113 N CA -0.614 52.335 53.050 -0.169 0.000 0.921 113 N CB 1.395 39.905 38.487 0.038 0.000 1.149 113 N HN 0.499 nan 8.380 nan 0.000 0.492 114 Y N 1.117 121.446 120.300 0.049 0.000 2.353 114 Y HA 0.222 4.772 4.550 0.001 0.000 0.340 114 Y C 0.069 175.983 175.900 0.025 0.000 0.972 114 Y CA -0.984 57.151 58.100 0.058 0.000 1.157 114 Y CB 0.816 39.394 38.460 0.197 0.000 1.157 114 Y HN 0.463 nan 8.280 nan 0.000 0.495 115 E N 4.515 124.728 120.200 0.022 0.000 2.235 115 E HA 0.428 4.778 4.350 0.001 0.000 0.252 115 E C -3.247 173.376 176.600 0.039 0.000 0.886 115 E CA -2.374 54.038 56.400 0.019 0.000 0.767 115 E CB 1.999 31.652 29.700 -0.078 0.000 1.205 115 E HN 0.226 nan 8.360 nan 0.000 0.421 116 P HA 0.175 nan 4.420 nan 0.000 0.284 116 P C -0.865 176.527 177.300 0.153 0.000 1.258 116 P CA -0.594 62.639 63.100 0.222 0.000 0.824 116 P CB 1.403 33.258 31.700 0.259 0.000 1.038 117 Q N 0.533 120.432 119.800 0.166 0.000 2.331 117 Q HA 0.552 4.893 4.340 0.001 0.000 0.272 117 Q C -1.466 174.677 176.000 0.238 0.000 1.062 117 Q CA -0.924 55.026 55.803 0.245 0.000 0.806 117 Q CB 2.389 31.289 28.738 0.271 0.000 1.312 117 Q HN 0.289 nan 8.270 nan 0.000 0.431 118 L N 4.472 125.856 121.223 0.269 0.000 2.325 118 L HA 0.669 5.010 4.340 0.001 0.000 0.281 118 L C -1.707 175.266 176.870 0.172 0.000 1.004 118 L CA -0.327 54.557 54.840 0.073 0.000 0.823 118 L CB 0.794 42.893 42.059 0.067 0.000 1.236 118 L HN 0.551 nan 8.230 nan 0.000 0.415 119 F N 3.737 123.742 119.950 0.092 0.000 2.626 119 F HA 0.721 5.248 4.527 0.001 0.000 0.311 119 F C -1.717 174.074 175.800 -0.015 0.000 1.088 119 F CA -1.424 56.608 58.000 0.052 0.000 0.949 119 F CB 1.174 40.248 39.000 0.122 0.000 1.322 119 F HN 0.234 nan 8.300 nan 0.000 0.461 120 L N 2.335 123.692 121.223 0.224 0.000 2.277 120 L HA 0.791 5.132 4.340 0.001 0.000 0.284 120 L C 0.015 176.936 176.870 0.085 0.000 1.028 120 L CA -0.238 54.628 54.840 0.043 0.000 0.835 120 L CB 0.827 42.904 42.059 0.031 0.000 1.215 120 L HN 0.977 nan 8.230 nan 0.000 0.425 121 G N 2.931 111.714 108.800 -0.030 0.000 2.454 121 G HA2 0.684 4.645 3.960 0.001 0.000 0.329 121 G HA3 0.684 4.645 3.960 0.001 0.000 0.329 121 G C -1.547 173.107 174.900 -0.410 0.000 1.177 121 G CA -0.317 44.781 45.100 -0.003 0.000 0.951 121 G HN 0.247 nan 8.290 nan 0.000 0.485 122 F N 0.094 120.074 119.950 0.050 0.000 2.561 122 F HA 0.631 5.159 4.527 0.001 0.000 0.313 122 F C 0.419 176.226 175.800 0.011 0.000 1.126 122 F CA -1.076 56.937 58.000 0.021 0.000 0.918 122 F CB 2.438 41.456 39.000 0.029 0.000 1.199 122 F HN 0.635 nan 8.300 nan 0.000 0.444 123 A N 2.045 124.946 122.820 0.136 0.000 2.276 123 A HA 0.717 5.038 4.320 0.001 0.000 0.300 123 A C 0.026 177.649 177.584 0.064 0.000 1.235 123 A CA -0.142 51.943 52.037 0.081 0.000 0.867 123 A CB 0.089 19.112 19.000 0.039 0.000 1.137 123 A HN 0.818 nan 8.150 nan 0.000 0.527 124 T N -1.071 113.493 114.554 0.016 0.000 2.864 124 T HA 0.679 5.029 4.350 0.001 0.000 0.289 124 T C -1.267 173.336 174.700 -0.161 0.000 1.082 124 T CA -0.641 61.380 62.100 -0.131 0.000 1.009 124 T CB 2.147 70.887 68.868 -0.213 0.000 1.234 124 T HN 0.413 nan 8.240 nan 0.000 0.526 125 D N 0.477 120.664 120.400 -0.356 0.000 2.364 125 D HA 0.271 4.911 4.640 0.001 0.000 0.251 125 D C -1.724 174.469 176.300 -0.177 0.000 1.282 125 D CA -0.232 53.667 54.000 -0.168 0.000 0.927 125 D CB 0.609 41.354 40.800 -0.092 0.000 1.267 125 D HN 0.630 nan 8.370 nan 0.000 0.531 126 Y N 1.846 122.253 120.300 0.178 0.000 2.338 126 Y HA 0.379 4.930 4.550 0.001 0.000 0.333 126 Y C 0.556 176.653 175.900 0.327 0.000 0.968 126 Y CA -1.267 56.972 58.100 0.232 0.000 1.123 126 Y CB 1.462 40.125 38.460 0.338 0.000 1.165 126 Y HN -0.063 nan 8.280 nan 0.000 0.452 127 R N 3.619 124.332 120.500 0.355 0.000 2.242 127 R HA 0.159 4.499 4.340 0.001 0.000 0.334 127 R C -1.189 175.222 176.300 0.183 0.000 1.071 127 R CA -0.291 55.969 56.100 0.268 0.000 0.922 127 R CB -0.357 30.027 30.300 0.141 0.000 1.023 127 R HN 0.584 nan 8.270 nan 0.000 0.458 128 F N 1.321 121.377 119.950 0.178 0.000 2.701 128 F HA 0.268 4.796 4.527 0.001 0.000 0.315 128 F C 0.774 176.698 175.800 0.207 0.000 1.277 128 F CA -0.734 57.352 58.000 0.143 0.000 1.180 128 F CB 0.146 39.204 39.000 0.097 0.000 1.273 128 F HN 0.725 nan 8.300 nan 0.000 0.532 129 A N 0.268 123.233 122.820 0.243 0.000 2.648 129 A HA 0.140 4.461 4.320 0.001 0.000 0.297 129 A C 1.562 179.315 177.584 0.283 0.000 1.467 129 A CA 1.061 53.225 52.037 0.212 0.000 0.731 129 A CB -1.694 17.412 19.000 0.177 0.000 1.085 129 A HN 1.668 nan 8.150 nan 0.000 0.437 130 G N -2.727 106.214 108.800 0.235 0.000 2.397 130 G HA2 -0.263 3.697 3.960 0.001 0.000 0.211 130 G HA3 -0.263 3.697 3.960 0.001 0.000 0.211 130 G C 0.174 175.147 174.900 0.123 0.000 1.077 130 G CA 0.421 45.603 45.100 0.138 0.000 0.649 130 G HN 1.509 nan 8.290 nan 0.000 0.511 131 W N 1.461 122.854 121.300 0.154 0.000 2.141 131 W HA 0.682 5.343 4.660 0.001 0.000 0.354 131 W C 0.342 176.976 176.519 0.191 0.000 1.297 131 W CA 0.460 57.897 57.345 0.152 0.000 1.380 131 W CB 0.795 30.325 29.460 0.115 0.000 1.168 131 W HN 0.101 nan 8.180 nan 0.000 0.639 132 T N 2.565 117.365 114.554 0.410 0.000 2.937 132 T HA 0.257 4.608 4.350 0.001 0.000 0.297 132 T C -1.247 173.595 174.700 0.236 0.000 0.991 132 T CA -0.717 61.569 62.100 0.310 0.000 0.990 132 T CB 0.908 69.898 68.868 0.203 0.000 0.991 132 T HN 0.229 nan 8.240 nan 0.000 0.440 133 L N 4.883 126.249 121.223 0.238 0.000 2.433 133 L HA 0.339 4.680 4.340 0.001 0.000 0.284 133 L C 1.268 178.223 176.870 0.141 0.000 1.120 133 L CA 0.323 55.238 54.840 0.125 0.000 0.879 133 L CB -0.070 42.111 42.059 0.203 0.000 1.232 133 L HN 0.482 nan 8.230 nan 0.000 0.454 134 R N 2.205 122.763 120.500 0.097 0.000 2.105 134 R HA 0.202 4.543 4.340 0.001 0.000 0.214 134 R C -0.359 175.984 176.300 0.071 0.000 1.091 134 R CA 0.507 56.653 56.100 0.077 0.000 1.007 134 R CB 0.020 30.367 30.300 0.079 0.000 0.912 134 R HN 0.620 nan 8.270 nan 0.000 0.450 135 D N 0.181 120.623 120.400 0.071 0.000 2.391 135 D HA 0.290 4.931 4.640 0.001 0.000 0.245 135 D C -1.142 175.219 176.300 0.102 0.000 1.069 135 D CA -0.256 53.792 54.000 0.080 0.000 0.831 135 D CB 2.760 43.586 40.800 0.042 0.000 1.204 135 D HN -0.279 nan 8.370 nan 0.000 0.503 136 V N 2.568 122.578 119.914 0.160 0.000 2.378 136 V HA 0.454 4.575 4.120 0.001 0.000 0.288 136 V C -0.279 175.966 176.094 0.252 0.000 1.016 136 V CA -0.620 61.782 62.300 0.170 0.000 0.840 136 V CB 1.514 33.425 31.823 0.147 0.000 0.994 136 V HN 0.514 nan 8.190 nan 0.000 0.431 137 E N 6.354 126.656 120.200 0.169 0.000 2.308 137 E HA 0.763 5.114 4.350 0.001 0.000 0.275 137 E C -1.282 175.348 176.600 0.050 0.000 0.890 137 E CA -0.803 55.685 56.400 0.146 0.000 0.754 137 E CB 2.247 31.967 29.700 0.032 0.000 1.207 137 E HN 0.787 nan 8.360 nan 0.000 0.426 138 M N 2.176 121.785 119.600 0.016 0.000 2.371 138 M HA 0.842 5.322 4.480 0.001 0.000 0.287 138 M C -0.873 175.284 176.300 -0.238 0.000 1.149 138 M CA -0.531 54.625 55.300 -0.240 0.000 0.929 138 M CB 2.317 34.855 32.600 -0.103 0.000 1.683 138 M HN 0.534 nan 8.290 nan 0.000 0.470 139 G N 1.180 109.605 108.800 -0.626 0.000 2.634 139 G HA2 0.492 4.453 3.960 0.001 0.000 0.309 139 G HA3 0.492 4.453 3.960 0.001 0.000 0.309 139 G C -2.813 172.119 174.900 0.054 0.000 1.299 139 G CA -0.635 44.389 45.100 -0.127 0.000 0.798 139 G HN 0.814 nan 8.290 nan 0.000 0.490 140 Y N 1.470 121.898 120.300 0.214 0.000 2.361 140 Y HA 0.693 5.243 4.550 0.001 0.000 0.332 140 Y C -0.182 175.932 175.900 0.356 0.000 1.101 140 Y CA -1.062 57.187 58.100 0.247 0.000 1.137 140 Y CB 1.663 40.203 38.460 0.134 0.000 1.207 140 Y HN 0.536 nan 8.280 nan 0.000 0.463 141 N N 3.571 122.046 118.700 -0.376 0.000 2.238 141 N HA 0.211 4.952 4.740 0.001 0.000 0.302 141 N C -2.215 172.922 175.510 -0.622 0.000 1.072 141 N CA -0.433 52.398 53.050 -0.366 0.000 0.792 141 N CB 1.380 39.632 38.487 -0.392 0.000 1.425 141 N HN 0.911 nan 8.380 nan 0.000 0.478 142 H N 0.784 119.622 119.070 -0.387 0.000 2.667 142 H HA 0.433 4.990 4.556 0.001 0.000 0.353 142 H C -1.773 173.464 175.328 -0.151 0.000 1.072 142 H CA -0.442 55.448 56.048 -0.264 0.000 1.214 142 H CB 1.302 31.047 29.762 -0.027 0.000 1.600 142 H HN 0.481 nan 8.280 nan 0.000 0.527 143 D N 2.620 122.650 120.400 -0.617 0.000 2.788 143 D HA 0.429 5.070 4.640 0.001 0.000 0.247 143 D C -1.374 174.795 176.300 -0.219 0.000 1.236 143 D CA -0.233 53.602 54.000 -0.276 0.000 0.898 143 D CB 1.312 42.022 40.800 -0.150 0.000 1.401 143 D HN 0.617 nan 8.370 nan 0.000 0.549 144 S N 2.220 117.891 115.700 -0.047 0.000 2.625 144 S HA 0.448 4.919 4.470 0.001 0.000 0.271 144 S C -0.169 174.555 174.600 0.207 0.000 1.161 144 S CA -0.920 57.312 58.200 0.053 0.000 0.820 144 S CB 1.207 64.454 63.200 0.078 0.000 1.137 144 S HN 0.350 nan 8.310 nan 0.000 0.470 145 N N -0.147 118.668 118.700 0.192 0.000 2.238 145 N HA 0.229 4.970 4.740 0.001 0.000 0.222 145 N C 1.252 176.986 175.510 0.373 0.000 1.133 145 N CA 0.387 53.583 53.050 0.244 0.000 0.854 145 N CB -0.178 38.387 38.487 0.129 0.000 1.041 145 N HN 1.667 nan 8.380 nan 0.000 0.510 146 G N 0.647 109.643 108.800 0.327 0.000 2.216 146 G HA2 -0.356 3.605 3.960 0.001 0.000 0.269 146 G HA3 -0.356 3.605 3.960 0.001 0.000 0.269 146 G C 0.293 175.282 174.900 0.149 0.000 0.981 146 G CA 0.493 45.703 45.100 0.184 0.000 0.658 146 G HN 0.395 nan 8.290 nan 0.000 0.539 147 R N 0.451 121.051 120.500 0.166 0.000 2.652 147 R HA 0.587 4.928 4.340 0.001 0.000 0.271 147 R C 0.773 177.135 176.300 0.103 0.000 1.129 147 R CA 0.492 56.682 56.100 0.151 0.000 1.200 147 R CB 0.656 31.066 30.300 0.182 0.000 1.146 147 R HN 0.586 nan 8.270 nan 0.000 0.581 148 S N -0.479 115.280 115.700 0.098 0.000 2.568 148 S HA 0.303 4.774 4.470 0.001 0.000 0.302 148 S C -0.624 174.004 174.600 0.047 0.000 1.082 148 S CA -1.103 57.136 58.200 0.064 0.000 1.009 148 S CB 1.643 64.878 63.200 0.060 0.000 1.069 148 S HN 0.374 nan 8.310 nan 0.000 0.500 149 D N 2.804 123.218 120.400 0.023 0.000 2.622 149 D HA 0.010 4.650 4.640 0.001 0.000 0.227 149 D C -1.215 175.077 176.300 -0.014 0.000 1.159 149 D CA -0.199 53.800 54.000 -0.001 0.000 0.865 149 D CB 0.324 41.122 40.800 -0.003 0.000 1.207 149 D HN 0.479 nan 8.370 nan 0.000 0.492 150 P HA -0.044 nan 4.420 nan 0.000 0.251 150 P C 0.819 178.072 177.300 -0.078 0.000 1.223 150 P CA 0.594 63.656 63.100 -0.065 0.000 0.796 150 P CB 0.154 31.801 31.700 -0.089 0.000 1.068 151 T N -3.604 110.900 114.554 -0.085 0.000 3.235 151 T HA 0.120 4.471 4.350 0.001 0.000 0.251 151 T C 0.755 175.456 174.700 0.003 0.000 1.060 151 T CA -0.322 61.730 62.100 -0.080 0.000 0.949 151 T CB -0.763 68.026 68.868 -0.131 0.000 1.020 151 T HN -0.027 nan 8.240 nan 0.000 0.564 152 S N 1.186 116.890 115.700 0.006 0.000 2.505 152 S HA 0.561 5.032 4.470 0.001 0.000 0.276 152 S C -0.264 174.327 174.600 -0.015 0.000 1.274 152 S CA -0.701 57.513 58.200 0.023 0.000 1.053 152 S CB 0.280 63.497 63.200 0.028 0.000 0.919 152 S HN 0.517 nan 8.310 nan 0.000 0.490 153 R N 1.894 122.385 120.500 -0.016 0.000 2.686 153 R HA 0.697 5.038 4.340 0.001 0.000 0.283 153 R C -1.352 174.911 176.300 -0.062 0.000 0.978 153 R CA -0.240 55.802 56.100 -0.095 0.000 0.897 153 R CB 2.074 32.290 30.300 -0.141 0.000 1.192 153 R HN 0.801 nan 8.270 nan 0.000 0.457 154 S N 2.616 118.258 115.700 -0.096 0.000 2.614 154 S HA 0.742 5.213 4.470 0.001 0.000 0.280 154 S C -2.025 172.628 174.600 0.087 0.000 1.111 154 S CA -0.924 57.272 58.200 -0.007 0.000 0.847 154 S CB 0.647 63.860 63.200 0.022 0.000 1.079 154 S HN 0.634 nan 8.310 nan 0.000 0.452 155 W N 1.134 122.265 121.300 -0.281 0.000 3.005 155 W HA 0.874 5.535 4.660 0.002 0.000 0.343 155 W C -1.615 174.761 176.519 -0.239 0.000 1.243 155 W CA -1.077 56.139 57.345 -0.215 0.000 1.186 155 W CB 0.822 30.140 29.460 -0.236 0.000 1.453 155 W HN 1.408 nan 8.180 nan 0.000 0.575 156 A N 2.027 124.772 122.820 -0.126 0.000 2.414 156 A HA 0.963 5.283 4.320 0.001 0.000 0.306 156 A C -1.070 176.284 177.584 -0.384 0.000 1.054 156 A CA -1.084 50.782 52.037 -0.286 0.000 0.724 156 A CB 1.695 20.739 19.000 0.074 0.000 1.267 156 A HN 0.611 nan 8.150 nan 0.000 0.418 157 R N 0.740 120.915 120.500 -0.543 0.000 2.673 157 R HA 0.551 4.892 4.340 0.001 0.000 0.281 157 R C -1.683 174.573 176.300 -0.073 0.000 0.991 157 R CA -0.810 55.103 56.100 -0.311 0.000 0.896 157 R CB 1.993 31.940 30.300 -0.589 0.000 1.201 157 R HN 0.534 nan 8.270 nan 0.000 0.457 158 L N 3.422 124.763 121.223 0.196 0.000 2.334 158 L HA 0.477 4.818 4.340 0.001 0.000 0.277 158 L C -0.815 176.284 176.870 0.382 0.000 1.075 158 L CA -0.126 54.883 54.840 0.281 0.000 0.804 158 L CB 0.727 42.937 42.059 0.250 0.000 1.174 158 L HN 0.581 nan 8.230 nan 0.000 0.438 159 Y N -0.132 120.287 120.300 0.198 0.000 2.670 159 Y HA 0.802 5.352 4.550 0.001 0.000 0.334 159 Y C -1.132 174.882 175.900 0.190 0.000 1.185 159 Y CA -1.176 57.066 58.100 0.237 0.000 1.053 159 Y CB 1.395 40.003 38.460 0.248 0.000 1.298 159 Y HN 0.398 nan 8.280 nan 0.000 0.459 160 T N 2.520 117.210 114.554 0.226 0.000 2.881 160 T HA 0.481 4.832 4.350 0.001 0.000 0.290 160 T C -1.318 173.556 174.700 0.290 0.000 1.000 160 T CA -0.763 61.403 62.100 0.110 0.000 0.978 160 T CB 1.403 70.315 68.868 0.074 0.000 0.997 160 T HN 0.722 nan 8.240 nan 0.000 0.443 161 R N 3.293 123.946 120.500 0.255 0.000 2.343 161 R HA 0.646 4.987 4.340 0.001 0.000 0.320 161 R C -1.285 175.084 176.300 0.115 0.000 0.956 161 R CA -0.626 55.611 56.100 0.229 0.000 0.836 161 R CB 0.533 30.990 30.300 0.261 0.000 1.151 161 R HN 0.548 nan 8.270 nan 0.000 0.450 162 L N 4.827 126.094 121.223 0.074 0.000 2.341 162 L HA 0.538 4.878 4.340 0.001 0.000 0.278 162 L C -0.357 176.516 176.870 0.005 0.000 1.005 162 L CA -0.707 54.149 54.840 0.026 0.000 0.818 162 L CB 1.968 44.014 42.059 -0.021 0.000 1.259 162 L HN 0.487 nan 8.230 nan 0.000 0.418 163 M N 3.493 123.097 119.600 0.007 0.000 2.253 163 M HA 0.739 5.220 4.480 0.001 0.000 0.314 163 M C -1.430 174.882 176.300 0.020 0.000 1.019 163 M CA -0.370 54.935 55.300 0.007 0.000 0.932 163 M CB 1.783 34.389 32.600 0.010 0.000 1.606 163 M HN 0.689 nan 8.290 nan 0.000 0.430 164 A N 4.550 127.396 122.820 0.043 0.000 2.422 164 A HA 0.800 5.121 4.320 0.001 0.000 0.302 164 A C -1.317 176.467 177.584 0.332 0.000 1.041 164 A CA -0.613 51.503 52.037 0.131 0.000 0.708 164 A CB 1.431 20.421 19.000 -0.016 0.000 1.257 164 A HN 0.815 nan 8.150 nan 0.000 0.414 165 E N 0.397 120.810 120.200 0.354 0.000 2.343 165 E HA 0.576 4.927 4.350 0.001 0.000 0.270 165 E C -0.857 175.799 176.600 0.093 0.000 0.895 165 E CA -0.841 55.716 56.400 0.263 0.000 0.767 165 E CB 1.629 31.424 29.700 0.157 0.000 1.248 165 E HN 0.509 nan 8.360 nan 0.000 0.440 166 N N 1.655 120.191 118.700 -0.274 0.000 2.726 166 N HA 0.319 5.060 4.740 0.001 0.000 0.253 166 N C 0.246 175.612 175.510 -0.241 0.000 1.530 166 N CA 0.253 52.956 53.050 -0.579 0.000 0.772 166 N CB 0.115 37.459 38.487 -1.907 0.000 1.220 166 N HN 0.902 nan 8.380 nan 0.000 0.508 167 G N 2.334 111.098 108.800 -0.061 0.000 2.720 167 G HA2 -0.400 3.561 3.960 0.001 0.000 0.293 167 G HA3 -0.400 3.561 3.960 0.001 0.000 0.293 167 G C 0.536 175.472 174.900 0.058 0.000 1.256 167 G CA 0.542 45.643 45.100 0.001 0.000 0.974 167 G HN 0.572 nan 8.290 nan 0.000 0.551 168 N N 0.047 118.772 118.700 0.042 0.000 2.422 168 N HA 0.174 4.914 4.740 0.001 0.000 0.181 168 N C 0.306 175.844 175.510 0.047 0.000 1.080 168 N CA 0.088 53.097 53.050 -0.068 0.000 0.893 168 N CB 0.212 38.480 38.487 -0.364 0.000 0.973 168 N HN 0.475 nan 8.380 nan 0.000 0.456 169 W N 1.354 122.751 121.300 0.162 0.000 2.448 169 W HA 0.584 5.244 4.660 0.001 0.000 0.339 169 W C -0.299 176.237 176.519 0.028 0.000 1.124 169 W CA -0.544 56.897 57.345 0.160 0.000 1.262 169 W CB 0.993 30.465 29.460 0.021 0.000 1.251 169 W HN -0.204 nan 8.180 nan 0.000 0.597 170 L N 2.693 124.072 121.223 0.259 0.000 2.464 170 L HA 0.724 5.065 4.340 0.001 0.000 0.266 170 L C -1.619 175.369 176.870 0.197 0.000 0.965 170 L CA -0.830 54.023 54.840 0.021 0.000 0.833 170 L CB 1.654 43.271 42.059 -0.737 0.000 1.296 170 L HN 0.175 nan 8.230 nan 0.000 0.405 171 V N 3.825 123.876 119.914 0.228 0.000 2.577 171 V HA 0.489 4.610 4.120 0.001 0.000 0.303 171 V C -0.799 175.312 176.094 0.029 0.000 1.042 171 V CA -0.510 61.859 62.300 0.116 0.000 0.872 171 V CB 1.886 33.711 31.823 0.004 0.000 0.998 171 V HN 0.774 nan 8.190 nan 0.000 0.423 172 E N 3.684 123.900 120.200 0.027 0.000 2.244 172 E HA 0.656 5.007 4.350 0.001 0.000 0.260 172 E C -1.772 174.861 176.600 0.055 0.000 0.884 172 E CA -0.400 56.014 56.400 0.023 0.000 0.777 172 E CB 2.132 31.842 29.700 0.017 0.000 1.197 172 E HN 0.479 nan 8.360 nan 0.000 0.416 173 V N 4.379 124.318 119.914 0.041 0.000 2.547 173 V HA 0.441 4.562 4.120 0.001 0.000 0.299 173 V C -0.204 175.963 176.094 0.122 0.000 1.040 173 V CA -0.716 61.633 62.300 0.083 0.000 0.913 173 V CB 1.748 33.571 31.823 -0.000 0.000 0.992 173 V HN 0.624 nan 8.190 nan 0.000 0.449 174 K N 5.403 125.918 120.400 0.191 0.000 2.752 174 K HA 0.391 4.712 4.320 0.001 0.000 0.199 174 K C -2.874 173.868 176.600 0.237 0.000 1.069 174 K CA -1.432 55.005 56.287 0.250 0.000 1.033 174 K CB 1.884 34.558 32.500 0.291 0.000 1.229 174 K HN 0.458 nan 8.250 nan 0.000 0.572 175 P HA 0.220 nan 4.420 nan 0.000 0.279 175 P C -1.229 176.210 177.300 0.232 0.000 1.239 175 P CA -0.258 62.879 63.100 0.062 0.000 0.789 175 P CB 0.369 32.089 31.700 0.033 0.000 0.933 176 W N 2.910 124.396 121.300 0.312 0.000 3.029 176 W HA 0.673 5.333 4.660 0.001 0.000 0.339 176 W C -2.428 174.285 176.519 0.323 0.000 1.198 176 W CA -1.448 56.067 57.345 0.284 0.000 1.148 176 W CB 0.387 29.945 29.460 0.163 0.000 1.451 176 W HN 0.283 nan 8.180 nan 0.000 0.564 177 Y N 1.841 122.455 120.300 0.523 0.000 2.361 177 Y HA 0.611 5.162 4.550 0.001 0.000 0.337 177 Y C -0.709 175.386 175.900 0.325 0.000 0.965 177 Y CA -1.605 56.740 58.100 0.408 0.000 1.091 177 Y CB 1.789 40.404 38.460 0.259 0.000 1.182 177 Y HN 0.456 nan 8.280 nan 0.000 0.450 178 V N 6.940 127.017 119.914 0.271 0.000 2.583 178 V HA 0.496 4.617 4.120 0.001 0.000 0.287 178 V C -0.106 176.167 176.094 0.299 0.000 1.051 178 V CA -0.297 62.130 62.300 0.212 0.000 1.010 178 V CB 0.686 32.623 31.823 0.190 0.000 0.988 178 V HN 0.638 nan 8.190 nan 0.000 0.478 179 V N 1.607 121.664 119.914 0.239 0.000 3.102 179 V HA 1.106 5.227 4.120 0.001 0.000 0.312 179 V C 0.352 176.574 176.094 0.212 0.000 1.135 179 V CA 0.123 62.580 62.300 0.262 0.000 1.022 179 V CB 1.054 33.056 31.823 0.299 0.000 1.056 179 V HN 1.678 nan 8.190 nan 0.000 0.436 180 G N 1.849 110.767 108.800 0.196 0.000 2.562 180 G HA2 -0.240 3.721 3.960 0.001 0.000 0.250 180 G HA3 -0.240 3.721 3.960 0.001 0.000 0.250 180 G C -0.181 174.807 174.900 0.146 0.000 1.269 180 G CA 0.367 45.569 45.100 0.170 0.000 0.919 180 G HN 1.414 nan 8.290 nan 0.000 0.574 181 N N 0.907 119.690 118.700 0.138 0.000 2.530 181 N HA 0.494 5.234 4.740 0.001 0.000 0.277 181 N C 0.883 176.461 175.510 0.114 0.000 1.168 181 N CA 0.836 53.953 53.050 0.112 0.000 0.979 181 N CB 0.949 39.494 38.487 0.097 0.000 1.141 181 N HN 1.252 nan 8.380 nan 0.000 0.459 182 T N -1.369 113.234 114.554 0.081 0.000 3.604 182 T HA 0.202 4.552 4.350 0.001 0.000 0.305 182 T C 0.082 174.785 174.700 0.004 0.000 0.978 182 T CA -0.597 61.533 62.100 0.051 0.000 0.999 182 T CB -0.026 68.879 68.868 0.062 0.000 1.204 182 T HN 0.292 nan 8.240 nan 0.000 0.476 183 D N 2.111 122.520 120.400 0.014 0.000 2.144 183 D HA -0.098 4.543 4.640 0.001 0.000 0.200 183 D C 1.393 177.678 176.300 -0.024 0.000 0.978 183 D CA 0.966 54.968 54.000 0.002 0.000 0.833 183 D CB 0.088 40.897 40.800 0.015 0.000 0.961 183 D HN 0.416 nan 8.370 nan 0.000 0.470 184 D N 1.080 121.457 120.400 -0.039 0.000 2.182 184 D HA -0.090 4.551 4.640 0.001 0.000 0.201 184 D C 0.596 176.820 176.300 -0.125 0.000 0.986 184 D CA 0.921 54.880 54.000 -0.067 0.000 0.847 184 D CB -0.067 40.691 40.800 -0.070 0.000 0.942 184 D HN 0.466 nan 8.370 nan 0.000 0.467 185 N N -0.517 118.066 118.700 -0.195 0.000 2.722 185 N HA 0.100 4.840 4.740 0.001 0.000 0.242 185 N C -2.475 172.912 175.510 -0.205 0.000 1.398 185 N CA -0.966 51.888 53.050 -0.327 0.000 0.755 185 N CB 2.130 40.070 38.487 -0.912 0.000 1.268 185 N HN -0.054 nan 8.380 nan 0.000 0.522 186 P HA -0.153 nan 4.420 nan 0.000 0.216 186 P C 0.407 177.706 177.300 -0.002 0.000 1.153 186 P CA 1.497 64.587 63.100 -0.017 0.000 0.848 186 P CB 0.137 31.842 31.700 0.009 0.000 0.787 187 D N -0.598 119.831 120.400 0.050 0.000 2.370 187 D HA 0.002 4.643 4.640 0.001 0.000 0.230 187 D C 1.750 178.131 176.300 0.135 0.000 1.143 187 D CA -0.529 53.513 54.000 0.070 0.000 0.834 187 D CB -1.133 39.722 40.800 0.091 0.000 0.944 187 D HN 0.204 nan 8.370 nan 0.000 0.504 188 I N 0.448 121.028 120.570 0.017 0.000 2.335 188 I HA -0.286 3.885 4.170 0.001 0.000 0.251 188 I C 1.410 177.462 176.117 -0.108 0.000 1.129 188 I CA 1.184 62.425 61.300 -0.098 0.000 1.402 188 I CB 0.034 37.580 38.000 -0.757 0.000 1.069 188 I HN -0.058 nan 8.210 nan 0.000 0.424 189 T N 0.667 115.153 114.554 -0.113 0.000 2.915 189 T HA -0.204 4.146 4.350 0.001 0.000 0.269 189 T C 1.826 176.413 174.700 -0.189 0.000 1.071 189 T CA 1.281 63.307 62.100 -0.123 0.000 1.132 189 T CB -0.174 68.609 68.868 -0.142 0.000 0.878 189 T HN 0.404 nan 8.240 nan 0.000 0.479 190 K N -0.109 120.156 120.400 -0.225 0.000 2.209 190 K HA -0.131 4.190 4.320 0.001 0.000 0.204 190 K C 1.353 177.553 176.600 -0.667 0.000 1.048 190 K CA 1.387 57.402 56.287 -0.453 0.000 0.940 190 K CB -0.075 32.042 32.500 -0.639 0.000 0.729 190 K HN 0.419 nan 8.250 nan 0.000 0.451 191 Y N -1.038 119.124 120.300 -0.230 0.000 2.500 191 Y HA 0.117 4.668 4.550 0.001 0.000 0.284 191 Y C 2.036 177.903 175.900 -0.055 0.000 1.118 191 Y CA 0.173 58.145 58.100 -0.214 0.000 1.241 191 Y CB 0.304 38.638 38.460 -0.210 0.000 1.171 191 Y HN -0.050 nan 8.280 nan 0.000 0.540 192 M N -0.574 119.085 119.600 0.099 0.000 2.510 192 M HA 0.291 4.772 4.480 0.001 0.000 0.256 192 M C 1.310 177.760 176.300 0.250 0.000 1.132 192 M CA 0.998 56.424 55.300 0.210 0.000 1.105 192 M CB -1.022 31.691 32.600 0.189 0.000 1.375 192 M HN 0.346 nan 8.290 nan 0.000 0.477 193 G N 0.536 109.352 108.800 0.027 0.000 2.562 193 G HA2 -0.310 3.651 3.960 0.001 0.000 0.250 193 G HA3 -0.310 3.651 3.960 0.001 0.000 0.250 193 G C -0.182 174.585 174.900 -0.221 0.000 1.269 193 G CA 0.073 45.102 45.100 -0.119 0.000 0.919 193 G HN 0.447 nan 8.290 nan 0.000 0.574 194 Y N 0.390 120.663 120.300 -0.046 0.000 2.500 194 Y HA 0.523 5.074 4.550 0.001 0.000 0.246 194 Y C 0.660 175.982 175.900 -0.962 0.000 1.146 194 Y CA 0.584 58.490 58.100 -0.323 0.000 1.230 194 Y CB 0.522 38.968 38.460 -0.023 0.000 1.214 194 Y HN 0.897 nan 8.280 nan 0.000 0.526 195 Y N -2.150 117.505 120.300 -1.075 0.000 2.779 195 Y HA 0.520 5.070 4.550 0.001 0.000 0.340 195 Y C -1.667 173.971 175.900 -0.436 0.000 1.252 195 Y CA -2.110 55.411 58.100 -0.965 0.000 1.072 195 Y CB 0.939 39.203 38.460 -0.327 0.000 1.343 195 Y HN -0.174 nan 8.280 nan 0.000 0.450 196 Q N 1.760 121.550 119.800 -0.018 0.000 2.356 196 Q HA 0.693 5.034 4.340 0.001 0.000 0.270 196 Q C -2.382 173.771 176.000 0.255 0.000 1.058 196 Q CA -1.152 54.742 55.803 0.151 0.000 0.802 196 Q CB 2.472 31.416 28.738 0.345 0.000 1.303 196 Q HN 0.838 nan 8.270 nan 0.000 0.444 197 L N 3.059 124.410 121.223 0.214 0.000 2.341 197 L HA 0.565 4.906 4.340 0.001 0.000 0.278 197 L C -1.562 175.403 176.870 0.158 0.000 1.005 197 L CA -0.110 54.861 54.840 0.219 0.000 0.818 197 L CB 1.720 43.940 42.059 0.267 0.000 1.259 197 L HN 0.582 nan 8.230 nan 0.000 0.418 198 K N 6.159 126.637 120.400 0.130 0.000 2.358 198 K HA 0.624 4.944 4.320 0.001 0.000 0.260 198 K C -1.335 175.329 176.600 0.106 0.000 0.956 198 K CA -0.438 55.915 56.287 0.109 0.000 0.834 198 K CB 1.634 34.180 32.500 0.077 0.000 1.102 198 K HN 0.563 nan 8.250 nan 0.000 0.431 199 I N 1.982 122.633 120.570 0.135 0.000 2.436 199 I HA 0.386 4.556 4.170 0.001 0.000 0.289 199 I C 0.273 176.494 176.117 0.175 0.000 1.010 199 I CA -0.822 60.596 61.300 0.196 0.000 1.098 199 I CB 2.066 40.230 38.000 0.274 0.000 1.266 199 I HN 0.616 nan 8.210 nan 0.000 0.434 200 G N 4.685 113.546 108.800 0.103 0.000 2.453 200 G HA2 0.603 4.563 3.960 0.001 0.000 0.323 200 G HA3 0.603 4.563 3.960 0.001 0.000 0.323 200 G C -2.139 172.871 174.900 0.182 0.000 1.198 200 G CA -0.477 44.665 45.100 0.070 0.000 0.959 200 G HN 0.516 nan 8.290 nan 0.000 0.482 201 Y N 1.066 121.411 120.300 0.074 0.000 2.421 201 Y HA 0.454 5.004 4.550 0.001 0.000 0.339 201 Y C -0.807 175.064 175.900 -0.047 0.000 0.996 201 Y CA -1.029 56.974 58.100 -0.162 0.000 1.046 201 Y CB 1.818 39.862 38.460 -0.693 0.000 1.226 201 Y HN 0.528 nan 8.280 nan 0.000 0.445 202 H N 6.937 125.538 119.070 -0.782 0.000 2.640 202 H HA 0.298 4.855 4.556 0.001 0.000 0.297 202 H C -1.308 173.472 175.328 -0.913 0.000 1.073 202 H CA -0.209 55.395 56.048 -0.740 0.000 1.305 202 H CB 1.577 30.933 29.762 -0.676 0.000 1.404 202 H HN 0.657 nan 8.280 nan 0.000 0.459 203 L N 4.940 125.949 121.223 -0.357 0.000 2.297 203 L HA 0.303 4.644 4.340 0.001 0.000 0.277 203 L C 0.971 177.823 176.870 -0.031 0.000 1.040 203 L CA 0.577 55.324 54.840 -0.155 0.000 0.867 203 L CB 0.213 42.294 42.059 0.037 0.000 1.244 203 L HN 0.956 nan 8.230 nan 0.000 0.433 204 G N 3.797 112.560 108.800 -0.061 0.000 2.622 204 G HA2 -0.372 3.589 3.960 0.001 0.000 0.307 204 G HA3 -0.372 3.589 3.960 0.001 0.000 0.307 204 G C 0.638 175.536 174.900 -0.003 0.000 1.226 204 G CA 0.525 45.606 45.100 -0.031 0.000 0.997 204 G HN 0.532 nan 8.290 nan 0.000 0.551 205 D N 1.837 122.249 120.400 0.021 0.000 2.348 205 D HA 0.389 5.030 4.640 0.001 0.000 0.211 205 D C 1.532 177.807 176.300 -0.041 0.000 0.998 205 D CA 0.929 54.880 54.000 -0.082 0.000 0.873 205 D CB -0.126 40.470 40.800 -0.340 0.000 0.925 205 D HN 0.799 nan 8.370 nan 0.000 0.524 206 A N 0.851 123.774 122.820 0.171 0.000 2.440 206 A HA 0.339 4.660 4.320 0.001 0.000 0.251 206 A C 0.094 177.654 177.584 -0.040 0.000 1.089 206 A CA -0.087 52.076 52.037 0.211 0.000 0.779 206 A CB 0.715 19.853 19.000 0.229 0.000 1.022 206 A HN -0.039 nan 8.150 nan 0.000 0.492 207 V N 4.064 123.924 119.914 -0.090 0.000 2.409 207 V HA 0.374 4.495 4.120 0.001 0.000 0.291 207 V C -0.487 175.604 176.094 -0.005 0.000 1.020 207 V CA -0.492 61.679 62.300 -0.214 0.000 0.848 207 V CB 1.235 32.871 31.823 -0.312 0.000 0.990 207 V HN 0.813 nan 8.190 nan 0.000 0.430 208 L N 5.814 127.066 121.223 0.048 0.000 2.317 208 L HA 0.882 5.223 4.340 0.001 0.000 0.281 208 L C 0.104 177.062 176.870 0.147 0.000 1.024 208 L CA 0.478 55.388 54.840 0.117 0.000 0.810 208 L CB 1.903 44.048 42.059 0.143 0.000 1.240 208 L HN 0.824 nan 8.230 nan 0.000 0.427 209 S N 3.233 119.020 115.700 0.146 0.000 2.588 209 S HA 0.999 5.470 4.470 0.001 0.000 0.275 209 S C -1.003 173.681 174.600 0.140 0.000 1.130 209 S CA -0.337 57.953 58.200 0.150 0.000 0.855 209 S CB 1.726 65.012 63.200 0.143 0.000 1.116 209 S HN 1.153 nan 8.310 nan 0.000 0.472 210 A N 1.359 124.262 122.820 0.138 0.000 2.427 210 A HA 0.815 5.136 4.320 0.001 0.000 0.298 210 A C -0.967 176.691 177.584 0.124 0.000 1.036 210 A CA -0.676 51.434 52.037 0.121 0.000 0.701 210 A CB 1.594 20.663 19.000 0.116 0.000 1.250 210 A HN 0.751 nan 8.150 nan 0.000 0.412 211 K N 1.962 122.438 120.400 0.126 0.000 2.471 211 K HA 0.682 5.002 4.320 0.001 0.000 0.252 211 K C -0.485 176.196 176.600 0.135 0.000 0.938 211 K CA -0.152 56.222 56.287 0.146 0.000 0.796 211 K CB 2.064 34.673 32.500 0.181 0.000 1.161 211 K HN 1.253 nan 8.250 nan 0.000 0.425 212 G N 2.193 111.069 108.800 0.127 0.000 2.623 212 G HA2 0.393 4.354 3.960 0.001 0.000 0.290 212 G HA3 0.393 4.354 3.960 0.001 0.000 0.290 212 G C -1.946 173.003 174.900 0.083 0.000 1.437 212 G CA -0.555 44.605 45.100 0.100 0.000 0.798 212 G HN 0.458 nan 8.290 nan 0.000 0.488 213 Q N -0.721 119.124 119.800 0.075 0.000 2.379 213 Q HA 0.643 4.983 4.340 0.001 0.000 0.278 213 Q C -2.325 173.688 176.000 0.021 0.000 1.068 213 Q CA -1.243 54.550 55.803 -0.017 0.000 0.816 213 Q CB 2.675 31.501 28.738 0.146 0.000 1.387 213 Q HN 0.823 nan 8.270 nan 0.000 0.413 214 Y N 1.564 121.685 120.300 -0.298 0.000 2.358 214 Y HA 0.330 4.881 4.550 0.001 0.000 0.324 214 Y C -1.380 174.337 175.900 -0.305 0.000 1.123 214 Y CA -0.817 57.084 58.100 -0.332 0.000 1.067 214 Y CB 1.807 39.934 38.460 -0.554 0.000 1.230 214 Y HN 0.825 nan 8.280 nan 0.000 0.429 215 N N 5.237 123.607 118.700 -0.550 0.000 2.415 215 N HA 0.005 4.746 4.740 0.001 0.000 0.250 215 N C 0.253 175.443 175.510 -0.532 0.000 1.127 215 N CA 0.037 52.890 53.050 -0.329 0.000 0.945 215 N CB 0.283 38.631 38.487 -0.230 0.000 1.196 215 N HN 0.909 nan 8.380 nan 0.000 0.499 216 W N 3.130 124.316 121.300 -0.190 0.000 2.341 216 W HA -0.098 4.563 4.660 0.001 0.000 0.283 216 W C 1.761 178.223 176.519 -0.096 0.000 1.215 216 W CA 0.602 57.897 57.345 -0.084 0.000 1.211 216 W CB -0.295 29.248 29.460 0.139 0.000 1.131 216 W HN 0.615 nan 8.180 nan 0.000 0.552 217 N N -0.957 117.814 118.700 0.118 0.000 2.109 217 N HA -0.132 4.609 4.740 0.001 0.000 0.188 217 N C 1.784 177.277 175.510 -0.029 0.000 1.034 217 N CA 1.897 54.988 53.050 0.068 0.000 0.846 217 N CB -0.521 38.024 38.487 0.096 0.000 1.010 217 N HN 0.089 nan 8.380 nan 0.000 0.425 218 T N -2.738 111.757 114.554 -0.098 0.000 3.100 218 T HA 0.239 4.590 4.350 0.001 0.000 0.253 218 T C 1.519 176.088 174.700 -0.219 0.000 1.118 218 T CA 0.502 62.547 62.100 -0.092 0.000 1.058 218 T CB 0.272 69.112 68.868 -0.046 0.000 0.953 218 T HN 0.316 nan 8.240 nan 0.000 0.515 219 G N 0.497 109.044 108.800 -0.422 0.000 2.175 219 G HA2 -0.276 3.685 3.960 0.001 0.000 0.265 219 G HA3 -0.276 3.685 3.960 0.001 0.000 0.265 219 G C -0.114 174.418 174.900 -0.614 0.000 0.979 219 G CA 0.453 45.219 45.100 -0.556 0.000 0.663 219 G HN 0.656 nan 8.290 nan 0.000 0.533 220 Y N 0.156 120.113 120.300 -0.571 0.000 2.354 220 Y HA 0.584 5.135 4.550 0.001 0.000 0.322 220 Y C 1.116 176.825 175.900 -0.318 0.000 1.253 220 Y CA 0.619 58.442 58.100 -0.462 0.000 1.272 220 Y CB 1.872 39.926 38.460 -0.677 0.000 1.255 220 Y HN 0.522 nan 8.280 nan 0.000 0.500 221 G N -0.798 108.109 108.800 0.178 0.000 2.340 221 G HA2 0.518 4.478 3.960 0.001 0.000 0.299 221 G HA3 0.518 4.478 3.960 0.001 0.000 0.299 221 G C -1.312 173.773 174.900 0.308 0.000 1.291 221 G CA -0.168 45.083 45.100 0.251 0.000 0.841 221 G HN 0.911 nan 8.290 nan 0.000 0.500 222 G N -1.648 107.269 108.800 0.195 0.000 2.698 222 G HA2 0.954 4.915 3.960 0.001 0.000 0.293 222 G HA3 0.954 4.915 3.960 0.001 0.000 0.293 222 G C -0.888 173.957 174.900 -0.091 0.000 1.437 222 G CA 0.551 45.693 45.100 0.069 0.000 0.852 222 G HN 1.925 nan 8.290 nan 0.000 0.499 223 A N 0.101 122.691 122.820 -0.383 0.000 2.566 223 A HA 0.941 5.262 4.320 0.001 0.000 0.292 223 A C -1.039 176.289 177.584 -0.427 0.000 1.112 223 A CA -0.634 51.239 52.037 -0.274 0.000 0.707 223 A CB 2.225 21.118 19.000 -0.179 0.000 1.302 223 A HN 0.864 nan 8.150 nan 0.000 0.409 224 E N 0.849 120.983 120.200 -0.110 0.000 2.313 224 E HA 0.541 4.892 4.350 0.001 0.000 0.280 224 E C -2.013 174.623 176.600 0.060 0.000 0.898 224 E CA -0.294 56.123 56.400 0.028 0.000 0.803 224 E CB 1.147 31.002 29.700 0.258 0.000 1.286 224 E HN 0.622 nan 8.360 nan 0.000 0.401 225 L N 3.001 124.247 121.223 0.038 0.000 2.331 225 L HA 0.880 5.221 4.340 0.001 0.000 0.275 225 L C 0.313 177.215 176.870 0.054 0.000 1.022 225 L CA -0.683 54.188 54.840 0.051 0.000 0.812 225 L CB 2.036 44.109 42.059 0.024 0.000 1.257 225 L HN 0.681 nan 8.230 nan 0.000 0.435 226 G N 1.942 110.796 108.800 0.091 0.000 2.720 226 G HA2 0.608 4.568 3.960 0.001 0.000 0.295 226 G HA3 0.608 4.568 3.960 0.001 0.000 0.295 226 G C -2.429 172.562 174.900 0.152 0.000 1.437 226 G CA -0.400 44.767 45.100 0.112 0.000 0.886 226 G HN 0.327 nan 8.290 nan 0.000 0.509 227 L N 1.397 122.708 121.223 0.146 0.000 2.470 227 L HA 0.847 5.188 4.340 0.001 0.000 0.268 227 L C -0.064 176.943 176.870 0.229 0.000 0.964 227 L CA -0.543 54.386 54.840 0.148 0.000 0.839 227 L CB 2.032 44.138 42.059 0.078 0.000 1.276 227 L HN 0.971 nan 8.230 nan 0.000 0.403 228 S N 3.428 119.250 115.700 0.204 0.000 2.632 228 S HA 0.860 5.330 4.470 0.001 0.000 0.289 228 S C -1.320 173.402 174.600 0.204 0.000 1.115 228 S CA -0.608 57.718 58.200 0.210 0.000 0.889 228 S CB 1.973 65.248 63.200 0.125 0.000 1.116 228 S HN 0.674 nan 8.310 nan 0.000 0.486 229 Y N 0.177 120.499 120.300 0.037 0.000 2.552 229 Y HA 0.528 5.079 4.550 0.001 0.000 0.337 229 Y C -3.104 172.805 175.900 0.014 0.000 1.094 229 Y CA -1.761 56.346 58.100 0.013 0.000 1.028 229 Y CB 2.161 40.631 38.460 0.017 0.000 1.321 229 Y HN 0.559 nan 8.280 nan 0.000 0.456 230 P HA 0.267 nan 4.420 nan 0.000 0.267 230 P C 0.325 177.593 177.300 -0.053 0.000 1.209 230 P CA 0.643 63.584 63.100 -0.265 0.000 0.763 230 P CB 0.695 32.163 31.700 -0.386 0.000 0.816 231 I N 1.142 121.721 120.570 0.015 0.000 2.867 231 I HA 0.022 4.193 4.170 0.001 0.000 0.265 231 I C 1.240 177.371 176.117 0.024 0.000 1.162 231 I CA 1.046 62.379 61.300 0.056 0.000 1.471 231 I CB 0.139 38.181 38.000 0.071 0.000 1.123 231 I HN 0.452 nan 8.210 nan 0.000 0.440 232 T N -3.655 110.898 114.554 -0.002 0.000 2.648 232 T HA 0.169 4.520 4.350 0.001 0.000 0.304 232 T C 0.506 175.170 174.700 -0.059 0.000 1.312 232 T CA -0.745 61.349 62.100 -0.010 0.000 1.023 232 T CB 1.659 70.548 68.868 0.035 0.000 1.612 232 T HN -0.078 nan 8.240 nan 0.000 0.487 233 K N -0.429 119.923 120.400 -0.079 0.000 2.211 233 K HA -0.173 4.147 4.320 0.001 0.000 0.204 233 K C 1.281 177.635 176.600 -0.409 0.000 1.047 233 K CA 2.036 58.175 56.287 -0.246 0.000 0.935 233 K CB -0.285 32.051 32.500 -0.274 0.000 0.728 233 K HN 0.715 nan 8.250 nan 0.000 0.452 234 H N -2.079 116.973 119.070 -0.029 0.000 3.205 234 H HA 0.232 4.788 4.556 0.001 0.000 0.252 234 H C -0.657 174.662 175.328 -0.015 0.000 1.015 234 H CA -0.271 55.763 56.048 -0.023 0.000 1.192 234 H CB 1.198 30.949 29.762 -0.019 0.000 1.474 234 H HN -0.146 nan 8.280 nan 0.000 0.484 235 V N 2.158 122.129 119.914 0.095 0.000 2.513 235 V HA 0.426 4.546 4.120 0.001 0.000 0.299 235 V C -0.204 175.915 176.094 0.042 0.000 1.035 235 V CA -0.812 61.529 62.300 0.069 0.000 0.889 235 V CB 1.953 33.821 31.823 0.075 0.000 0.988 235 V HN 0.239 nan 8.190 nan 0.000 0.440 236 R N 2.956 123.486 120.500 0.049 0.000 2.778 236 R HA 0.660 5.001 4.340 0.001 0.000 0.277 236 R C -1.150 175.220 176.300 0.117 0.000 0.977 236 R CA -1.010 55.125 56.100 0.057 0.000 0.950 236 R CB 2.018 32.333 30.300 0.024 0.000 1.165 236 R HN 0.533 nan 8.270 nan 0.000 0.474 237 L N 2.280 123.591 121.223 0.147 0.000 2.305 237 L HA 0.313 4.653 4.340 0.001 0.000 0.281 237 L C -1.362 175.647 176.870 0.232 0.000 1.085 237 L CA -0.091 54.853 54.840 0.174 0.000 0.813 237 L CB 0.452 42.603 42.059 0.154 0.000 1.157 237 L HN 0.539 nan 8.230 nan 0.000 0.436 238 Y N 3.561 123.896 120.300 0.057 0.000 2.406 238 Y HA 0.646 5.197 4.550 0.001 0.000 0.340 238 Y C -0.916 174.990 175.900 0.011 0.000 0.975 238 Y CA -0.830 57.283 58.100 0.020 0.000 1.056 238 Y CB 1.843 40.295 38.460 -0.013 0.000 1.210 238 Y HN 0.696 nan 8.280 nan 0.000 0.448 239 T N 6.586 120.950 114.554 -0.317 0.000 2.829 239 T HA 0.418 4.769 4.350 0.001 0.000 0.280 239 T C -1.267 173.043 174.700 -0.651 0.000 0.999 239 T CA -0.679 61.192 62.100 -0.381 0.000 0.983 239 T CB 1.464 70.249 68.868 -0.139 0.000 0.968 239 T HN 0.668 nan 8.240 nan 0.000 0.446 240 Q N 1.922 121.396 119.800 -0.543 0.000 2.372 240 Q HA 0.689 5.029 4.340 0.001 0.000 0.273 240 Q C -1.955 173.962 176.000 -0.138 0.000 1.078 240 Q CA -0.770 54.780 55.803 -0.422 0.000 0.806 240 Q CB 2.006 30.434 28.738 -0.517 0.000 1.332 240 Q HN 0.481 nan 8.270 nan 0.000 0.435 241 V N 4.109 123.997 119.914 -0.043 0.000 2.439 241 V HA 0.238 4.359 4.120 0.001 0.000 0.277 241 V C -1.276 174.861 176.094 0.072 0.000 1.008 241 V CA -0.705 61.606 62.300 0.018 0.000 0.846 241 V CB 0.759 32.577 31.823 -0.009 0.000 1.031 241 V HN 0.722 nan 8.190 nan 0.000 0.441 242 Y N 3.078 123.399 120.300 0.034 0.000 2.320 242 Y HA 0.735 5.286 4.550 0.001 0.000 0.324 242 Y C 0.317 176.242 175.900 0.041 0.000 1.190 242 Y CA -0.127 58.012 58.100 0.065 0.000 1.215 242 Y CB 1.901 40.435 38.460 0.123 0.000 1.221 242 Y HN 0.558 nan 8.280 nan 0.000 0.486 243 S N 3.871 119.250 115.700 -0.535 0.000 2.649 243 S HA 0.728 5.198 4.470 0.001 0.000 0.274 243 S C -0.590 173.808 174.600 -0.337 0.000 1.176 243 S CA 0.317 58.376 58.200 -0.236 0.000 0.988 243 S CB 0.295 63.407 63.200 -0.147 0.000 1.071 243 S HN 1.673 nan 8.310 nan 0.000 0.478 244 G N 3.226 111.985 108.800 -0.069 0.000 2.293 244 G HA2 0.103 4.063 3.960 0.001 0.000 0.282 244 G HA3 0.103 4.063 3.960 0.001 0.000 0.282 244 G C -1.924 173.023 174.900 0.078 0.000 1.299 244 G CA -0.780 44.310 45.100 -0.016 0.000 1.018 244 G HN 0.662 nan 8.290 nan 0.000 0.478 245 Y N 0.529 120.937 120.300 0.180 0.000 2.316 245 Y HA 0.464 5.015 4.550 0.001 0.000 0.324 245 Y C 1.651 177.704 175.900 0.256 0.000 1.267 245 Y CA 1.168 59.369 58.100 0.168 0.000 1.311 245 Y CB 1.432 40.016 38.460 0.206 0.000 1.267 245 Y HN 2.057 nan 8.280 nan 0.000 0.516 246 G N 0.376 109.347 108.800 0.284 0.000 2.175 246 G HA2 -0.342 3.619 3.960 0.001 0.000 0.244 246 G HA3 -0.342 3.619 3.960 0.001 0.000 0.244 246 G C 1.185 176.160 174.900 0.123 0.000 0.982 246 G CA 0.482 45.720 45.100 0.231 0.000 0.641 246 G HN 0.722 nan 8.290 nan 0.000 0.527 247 E N 0.613 120.768 120.200 -0.076 0.000 2.114 247 E HA -0.080 4.270 4.350 0.001 0.000 0.199 247 E C 1.404 177.858 176.600 -0.244 0.000 1.008 247 E CA 1.804 57.876 56.400 -0.547 0.000 0.810 247 E CB -0.101 29.082 29.700 -0.862 0.000 0.739 247 E HN 1.080 nan 8.360 nan 0.000 0.456 248 S N -2.267 113.232 115.700 -0.336 0.000 2.618 248 S HA 0.256 4.727 4.470 0.001 0.000 0.277 248 S C 0.769 175.260 174.600 -0.182 0.000 1.138 248 S CA -0.917 57.055 58.200 -0.380 0.000 0.844 248 S CB 1.141 63.673 63.200 -1.114 0.000 1.127 248 S HN 0.174 nan 8.310 nan 0.000 0.474 249 L N 0.975 122.131 121.223 -0.110 0.000 2.012 249 L HA -0.055 4.285 4.340 0.001 0.000 0.210 249 L C 2.427 179.275 176.870 -0.038 0.000 1.073 249 L CA 1.406 56.192 54.840 -0.090 0.000 0.748 249 L CB -0.532 41.474 42.059 -0.089 0.000 0.891 249 L HN 0.798 nan 8.230 nan 0.000 0.431 250 I N -0.032 120.487 120.570 -0.086 0.000 2.423 250 I HA -0.275 3.896 4.170 0.001 0.000 0.254 250 I C 1.157 177.214 176.117 -0.101 0.000 1.151 250 I CA 1.693 62.950 61.300 -0.072 0.000 1.421 250 I CB -0.338 37.609 38.000 -0.088 0.000 1.079 250 I HN 0.237 nan 8.210 nan 0.000 0.431 251 D N -1.502 118.812 120.400 -0.143 0.000 2.501 251 D HA 0.007 4.648 4.640 0.001 0.000 0.226 251 D C 1.582 177.833 176.300 -0.083 0.000 1.198 251 D CA 0.008 53.932 54.000 -0.127 0.000 0.830 251 D CB -0.156 40.576 40.800 -0.114 0.000 1.014 251 D HN 0.478 nan 8.370 nan 0.000 0.496 252 Y N 1.963 122.142 120.300 -0.203 0.000 2.193 252 Y HA -0.213 4.338 4.550 0.001 0.000 0.285 252 Y C 0.989 176.713 175.900 -0.293 0.000 1.166 252 Y CA 1.522 59.497 58.100 -0.208 0.000 1.181 252 Y CB -1.212 37.069 38.460 -0.298 0.000 0.976 252 Y HN -0.002 nan 8.280 nan 0.000 0.520 253 N N -1.465 116.375 118.700 -1.432 0.000 2.321 253 N HA 0.135 4.876 4.740 0.001 0.000 0.242 253 N C -0.892 174.301 175.510 -0.529 0.000 1.141 253 N CA -0.518 51.481 53.050 -1.751 0.000 0.864 253 N CB -0.068 37.005 38.487 -2.356 0.000 1.100 253 N HN 0.223 nan 8.380 nan 0.000 0.510 254 F N 1.536 121.245 119.950 -0.402 0.000 2.507 254 F HA 0.447 4.975 4.527 0.001 0.000 0.325 254 F C -0.872 174.637 175.800 -0.485 0.000 1.116 254 F CA -1.360 56.440 58.000 -0.334 0.000 0.930 254 F CB 1.434 40.260 39.000 -0.289 0.000 1.146 254 F HN -0.046 nan 8.300 nan 0.000 0.447 255 N N 4.882 122.794 118.700 -1.312 0.000 2.487 255 N HA 0.464 5.205 4.740 0.001 0.000 0.292 255 N C -1.726 173.202 175.510 -0.970 0.000 1.108 255 N CA -0.057 52.242 53.050 -1.252 0.000 0.956 255 N CB 1.559 39.247 38.487 -1.332 0.000 1.176 255 N HN 0.827 nan 8.380 nan 0.000 0.484 256 Q N -0.064 119.464 119.800 -0.454 0.000 2.666 256 Q HA 0.313 4.653 4.340 0.001 0.000 0.276 256 Q C -1.759 174.230 176.000 -0.019 0.000 0.952 256 Q CA -0.958 54.708 55.803 -0.228 0.000 0.850 256 Q CB 0.507 29.197 28.738 -0.079 0.000 1.512 256 Q HN 0.317 nan 8.270 nan 0.000 0.395 257 T N 1.696 116.253 114.554 0.005 0.000 2.786 257 T HA 0.560 4.911 4.350 0.001 0.000 0.283 257 T C -0.995 173.764 174.700 0.100 0.000 0.992 257 T CA -0.591 61.544 62.100 0.057 0.000 0.954 257 T CB 0.998 69.868 68.868 0.003 0.000 0.934 257 T HN 0.434 nan 8.240 nan 0.000 0.440 258 R N 2.533 123.134 120.500 0.168 0.000 2.480 258 R HA 0.684 5.025 4.340 0.001 0.000 0.306 258 R C -1.453 174.925 176.300 0.130 0.000 0.958 258 R CA -0.574 55.624 56.100 0.163 0.000 0.861 258 R CB 1.600 32.034 30.300 0.224 0.000 1.171 258 R HN 0.463 nan 8.270 nan 0.000 0.445 259 V N 3.876 123.841 119.914 0.084 0.000 2.459 259 V HA 0.898 5.019 4.120 0.001 0.000 0.295 259 V C -0.577 175.543 176.094 0.043 0.000 1.029 259 V CA -0.153 62.173 62.300 0.044 0.000 0.874 259 V CB 1.645 33.481 31.823 0.023 0.000 0.985 259 V HN 0.911 nan 8.190 nan 0.000 0.438 260 G N 4.437 113.239 108.800 0.002 0.000 2.690 260 G HA2 0.669 4.630 3.960 0.001 0.000 0.293 260 G HA3 0.669 4.630 3.960 0.001 0.000 0.293 260 G C -1.960 172.914 174.900 -0.043 0.000 1.399 260 G CA -0.539 44.571 45.100 0.017 0.000 0.890 260 G HN 0.877 nan 8.290 nan 0.000 0.485 261 V N 0.205 120.139 119.914 0.034 0.000 2.686 261 V HA 0.967 5.088 4.120 0.001 0.000 0.306 261 V C 0.575 176.751 176.094 0.137 0.000 1.065 261 V CA 0.473 62.793 62.300 0.034 0.000 0.894 261 V CB 1.367 33.221 31.823 0.051 0.000 1.004 261 V HN 1.466 nan 8.190 nan 0.000 0.424 262 G N 2.514 111.394 108.800 0.134 0.000 2.588 262 G HA2 0.700 4.661 3.960 0.001 0.000 0.281 262 G HA3 0.700 4.661 3.960 0.001 0.000 0.281 262 G C -0.972 174.055 174.900 0.211 0.000 1.223 262 G CA 0.228 45.442 45.100 0.190 0.000 0.871 262 G HN 1.219 nan 8.290 nan 0.000 0.492 263 V N -2.041 117.998 119.914 0.208 0.000 2.994 263 V HA 0.931 5.051 4.120 0.001 0.000 0.318 263 V C -0.158 176.066 176.094 0.217 0.000 1.085 263 V CA -0.834 61.580 62.300 0.190 0.000 0.998 263 V CB 1.820 33.725 31.823 0.136 0.000 1.063 263 V HN 1.150 nan 8.190 nan 0.000 0.447 264 M N 1.610 121.299 119.600 0.149 0.000 2.520 264 M HA 0.518 4.998 4.480 0.001 0.000 0.283 264 M C -1.268 175.067 176.300 0.058 0.000 1.237 264 M CA -0.672 54.686 55.300 0.096 0.000 0.885 264 M CB 2.376 34.946 32.600 -0.051 0.000 1.727 264 M HN 0.761 nan 8.290 nan 0.000 0.468 265 L N 1.288 122.541 121.223 0.050 0.000 2.255 265 L HA 0.232 4.573 4.340 0.001 0.000 0.196 265 L C 0.805 177.690 176.870 0.025 0.000 1.202 265 L CA 0.044 54.913 54.840 0.048 0.000 0.819 265 L CB -0.314 41.778 42.059 0.054 0.000 1.006 265 L HN 0.765 nan 8.230 nan 0.000 0.480 266 N N -0.162 118.553 118.700 0.025 0.000 2.456 266 N HA 0.164 4.905 4.740 0.001 0.000 0.296 266 N C -1.223 174.277 175.510 -0.016 0.000 1.102 266 N CA -0.418 52.641 53.050 0.015 0.000 0.924 266 N CB 2.431 40.946 38.487 0.047 0.000 1.186 266 N HN 0.048 nan 8.380 nan 0.000 0.492 267 D N 0.138 120.525 120.400 -0.022 0.000 2.569 267 D HA 0.230 4.871 4.640 0.001 0.000 0.266 267 D C 1.461 177.802 176.300 0.069 0.000 1.164 267 D CA -0.574 53.408 54.000 -0.030 0.000 1.071 267 D CB 1.298 42.064 40.800 -0.058 0.000 1.183 267 D HN 0.351 nan 8.370 nan 0.000 0.613 268 L N -0.278 121.014 121.223 0.114 0.000 2.349 268 L HA 0.128 4.469 4.340 0.001 0.000 0.220 268 L C 0.561 177.606 176.870 0.291 0.000 1.130 268 L CA 0.953 55.871 54.840 0.131 0.000 0.791 268 L CB -1.710 40.380 42.059 0.052 0.000 0.918 268 L HN 0.364 nan 8.230 nan 0.000 0.444 269 F N 0.000 119.936 119.950 -0.023 0.000 2.286 269 F HA 0.000 4.528 4.527 0.001 0.000 0.279 269 F CA 0.000 58.021 58.000 0.035 0.000 1.383 269 F CB 0.000 39.044 39.000 0.073 0.000 1.145 269 F HN 0.000 nan 8.300 nan 0.000 0.574