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 3oo2_1_B DATA FIRST_RESID 2 DATA SEQUENCE SDKYYRSAYM NVDLNAVASN FKVFSTLHPN KTVMAVVKAN AYGLGSVKVA DATA SEQUENCE RHLMENGATF FAVATLDEAI ELRMHGITAK ILVLGVLPAK DIDKAIQHRV DATA SEQUENCE ALTVPSKQWL KEAIKNISXX XXKKLWLHIK LDTGMGRLGI KDTKTYQEVI DATA SEQUENCE EIIQQYEQLV FEGVFTHFAC ADEPGDMTTE QYQRFKDMVN EAIKPEYIHc DATA SEQUENCE QNSAGSLLMD CQFcNAIRPG ISLYGYYPSE YVQQKVKVHL KPSVQLIANV DATA SEQUENCE VQTKTLQAXX XXXXXXXXXX XDPTTIALLP IGYADGYLRI MQGSFVNVNG DATA SEQUENCE HQCEVIGRVC MDQTIVKVPD QVKAGDSVIL IDNHRESPQS VEVVAEKQHT DATA SEQUENCE INYEVLCNLS RRLPRIYHDG DQRFVTNELL K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.377 174.600 -0.372 0.000 1.055 2 S CA 0.000 57.741 58.200 -0.765 0.000 1.107 2 S CB 0.000 62.785 63.200 -0.692 0.000 0.593 3 D N 2.439 122.632 120.400 -0.344 0.000 2.312 3 D HA 0.488 5.128 4.640 0.001 0.000 0.248 3 D C -0.033 176.184 176.300 -0.139 0.000 1.086 3 D CA -0.252 53.652 54.000 -0.160 0.000 0.948 3 D CB 0.997 41.741 40.800 -0.093 0.000 1.162 3 D HN 0.312 nan 8.370 nan 0.000 0.446 4 K N 0.096 120.425 120.400 -0.119 0.000 2.127 4 K HA 0.439 4.760 4.320 0.001 0.000 0.240 4 K C -0.639 175.809 176.600 -0.253 0.000 1.024 4 K CA -0.409 55.733 56.287 -0.241 0.000 0.918 4 K CB 0.489 32.812 32.500 -0.295 0.000 1.108 4 K HN 0.464 nan 8.250 nan 0.000 0.485 5 Y N -2.322 117.539 120.300 -0.731 0.000 2.521 5 Y HA 0.426 4.977 4.550 0.001 0.000 0.332 5 Y C -1.358 174.081 175.900 -0.767 0.000 1.121 5 Y CA -1.000 56.752 58.100 -0.580 0.000 1.037 5 Y CB 0.757 39.053 38.460 -0.272 0.000 1.330 5 Y HN 0.515 nan 8.280 nan 0.000 0.452 6 Y N 2.574 122.872 120.300 -0.003 0.000 2.698 6 Y HA 0.520 5.071 4.550 0.001 0.000 0.261 6 Y C 0.152 176.052 175.900 -0.001 0.000 1.104 6 Y CA -0.665 57.389 58.100 -0.077 0.000 1.145 6 Y CB 0.831 39.261 38.460 -0.050 0.000 1.191 6 Y HN 0.679 nan 8.280 nan 0.000 0.564 7 R N -0.348 120.259 120.500 0.179 0.000 2.584 7 R HA 0.432 4.772 4.340 0.001 0.000 0.276 7 R C -0.886 175.563 176.300 0.247 0.000 1.046 7 R CA -0.348 55.853 56.100 0.169 0.000 0.906 7 R CB 1.336 31.723 30.300 0.145 0.000 1.215 7 R HN -0.011 nan 8.270 nan 0.000 0.449 8 S N 2.157 117.969 115.700 0.186 0.000 4.085 8 S HA 0.335 4.806 4.470 0.001 0.000 0.189 8 S C -0.644 174.089 174.600 0.223 0.000 1.392 8 S CA -0.070 58.287 58.200 0.263 0.000 0.972 8 S CB 0.192 63.488 63.200 0.160 0.000 1.482 8 S HN 0.546 nan 8.310 nan 0.000 0.446 9 A N 2.380 125.358 122.820 0.264 0.000 2.437 9 A HA 0.795 5.116 4.320 0.001 0.000 0.293 9 A C -0.882 176.766 177.584 0.108 0.000 1.038 9 A CA -0.911 51.153 52.037 0.044 0.000 0.708 9 A CB 1.098 20.093 19.000 -0.009 0.000 1.251 9 A HN 0.622 nan 8.150 nan 0.000 0.409 10 Y N -1.347 118.890 120.300 -0.105 0.000 2.741 10 Y HA 0.750 5.300 4.550 0.001 0.000 0.339 10 Y C -1.179 174.632 175.900 -0.148 0.000 1.226 10 Y CA -1.446 56.542 58.100 -0.186 0.000 1.072 10 Y CB 0.910 39.169 38.460 -0.334 0.000 1.331 10 Y HN 0.521 nan 8.280 nan 0.000 0.453 11 M N 2.571 122.200 119.600 0.049 0.000 2.336 11 M HA 0.410 4.890 4.480 0.001 0.000 0.342 11 M C -1.209 175.129 176.300 0.065 0.000 1.128 11 M CA -0.672 54.621 55.300 -0.012 0.000 1.016 11 M CB 1.424 33.980 32.600 -0.073 0.000 1.665 11 M HN 0.541 nan 8.290 nan 0.000 0.445 12 N N 2.160 120.892 118.700 0.054 0.000 2.425 12 N HA 0.416 5.157 4.740 0.001 0.000 0.268 12 N C -1.394 174.085 175.510 -0.052 0.000 0.991 12 N CA -0.201 52.879 53.050 0.051 0.000 0.931 12 N CB 1.756 40.224 38.487 -0.031 0.000 1.130 12 N HN 0.334 nan 8.380 nan 0.000 0.493 13 V N 2.086 121.971 119.914 -0.048 0.000 2.378 13 V HA 0.138 4.259 4.120 0.001 0.000 0.288 13 V C -0.166 175.970 176.094 0.069 0.000 1.016 13 V CA -0.840 61.445 62.300 -0.024 0.000 0.840 13 V CB 1.572 33.335 31.823 -0.101 0.000 0.994 13 V HN 0.482 nan 8.190 nan 0.000 0.431 14 D N 4.702 125.114 120.400 0.020 0.000 2.441 14 D HA 0.258 4.898 4.640 0.001 0.000 0.221 14 D C 0.998 177.319 176.300 0.035 0.000 1.156 14 D CA -0.133 53.873 54.000 0.010 0.000 0.896 14 D CB 1.090 41.852 40.800 -0.064 0.000 1.028 14 D HN 0.441 nan 8.370 nan 0.000 0.509 15 L N 2.879 124.102 121.223 0.000 0.000 2.275 15 L HA -0.106 4.235 4.340 0.001 0.000 0.215 15 L C 1.676 178.502 176.870 -0.074 0.000 1.119 15 L CA 0.668 55.406 54.840 -0.170 0.000 0.790 15 L CB -0.252 41.413 42.059 -0.658 0.000 0.919 15 L HN 0.371 nan 8.230 nan 0.000 0.443 16 N N 0.219 118.922 118.700 0.005 0.000 2.142 16 N HA -0.130 4.611 4.740 0.001 0.000 0.186 16 N C 2.019 177.585 175.510 0.092 0.000 1.023 16 N CA 1.047 54.157 53.050 0.100 0.000 0.852 16 N CB -0.136 38.397 38.487 0.076 0.000 0.998 16 N HN 0.287 nan 8.380 nan 0.000 0.424 17 A N 0.711 123.560 122.820 0.048 0.000 1.933 17 A HA -0.086 4.235 4.320 0.001 0.000 0.218 17 A C 2.335 179.944 177.584 0.041 0.000 1.175 17 A CA 1.130 53.180 52.037 0.021 0.000 0.628 17 A CB -0.702 18.283 19.000 -0.026 0.000 0.814 17 A HN 0.104 nan 8.150 nan 0.000 0.444 18 V N -0.242 119.722 119.914 0.083 0.000 2.427 18 V HA -0.207 3.913 4.120 0.001 0.000 0.248 18 V C 3.018 179.205 176.094 0.155 0.000 1.051 18 V CA 1.801 64.167 62.300 0.110 0.000 1.048 18 V CB -1.176 30.756 31.823 0.182 0.000 0.666 18 V HN 0.607 nan 8.190 nan 0.000 0.456 19 A N -0.187 122.761 122.820 0.212 0.000 1.898 19 A HA -0.181 4.140 4.320 0.001 0.000 0.216 19 A C 2.486 180.192 177.584 0.203 0.000 1.181 19 A CA 2.168 54.330 52.037 0.208 0.000 0.620 19 A CB -0.640 18.491 19.000 0.219 0.000 0.819 19 A HN 0.514 nan 8.150 nan 0.000 0.442 20 S N 0.905 116.688 115.700 0.138 0.000 2.348 20 S HA -0.170 4.301 4.470 0.001 0.000 0.221 20 S C 1.885 176.532 174.600 0.078 0.000 1.033 20 S CA 1.336 59.591 58.200 0.091 0.000 1.010 20 S CB -0.536 62.697 63.200 0.056 0.000 0.891 20 S HN 0.673 nan 8.310 nan 0.000 0.442 21 N N 1.203 119.943 118.700 0.066 0.000 2.094 21 N HA -0.122 4.619 4.740 0.001 0.000 0.191 21 N C 1.449 177.092 175.510 0.222 0.000 1.023 21 N CA 1.151 54.241 53.050 0.067 0.000 0.857 21 N CB -0.617 37.881 38.487 0.018 0.000 1.013 21 N HN 0.464 nan 8.380 nan 0.000 0.426 22 F N 2.074 122.069 119.950 0.076 0.000 2.102 22 F HA -0.131 4.396 4.527 0.001 0.000 0.298 22 F C 2.071 177.933 175.800 0.104 0.000 1.105 22 F CA 1.421 59.474 58.000 0.088 0.000 1.239 22 F CB 0.013 39.020 39.000 0.012 0.000 0.991 22 F HN -0.090 nan 8.300 nan 0.000 0.474 23 K N -0.134 120.306 120.400 0.067 0.000 2.209 23 K HA -0.109 4.211 4.320 0.001 0.000 0.204 23 K C 1.962 178.494 176.600 -0.113 0.000 1.048 23 K CA 1.254 57.505 56.287 -0.060 0.000 0.940 23 K CB -0.382 32.144 32.500 0.043 0.000 0.729 23 K HN 0.216 nan 8.250 nan 0.000 0.451 24 V N 0.746 120.596 119.914 -0.107 0.000 2.343 24 V HA -0.221 3.900 4.120 0.001 0.000 0.247 24 V C 1.818 177.729 176.094 -0.305 0.000 1.051 24 V CA 1.716 63.882 62.300 -0.224 0.000 1.036 24 V CB -0.449 31.178 31.823 -0.328 0.000 0.654 24 V HN 0.170 nan 8.190 nan 0.000 0.451 25 F N 0.232 120.085 119.950 -0.162 0.000 2.206 25 F HA -0.094 4.434 4.527 0.001 0.000 0.298 25 F C 2.664 178.378 175.800 -0.142 0.000 1.090 25 F CA 1.548 59.480 58.000 -0.113 0.000 1.323 25 F CB -0.676 38.230 39.000 -0.156 0.000 1.028 25 F HN 0.016 nan 8.300 nan 0.000 0.492 26 S N -0.649 114.949 115.700 -0.169 0.000 2.368 26 S HA -0.168 4.302 4.470 0.001 0.000 0.225 26 S C 2.087 176.624 174.600 -0.104 0.000 1.030 26 S CA 1.851 59.925 58.200 -0.211 0.000 0.999 26 S CB -0.622 62.359 63.200 -0.364 0.000 0.844 26 S HN 0.357 nan 8.310 nan 0.000 0.459 27 T N 2.019 116.502 114.554 -0.118 0.000 2.867 27 T HA 0.053 4.403 4.350 0.001 0.000 0.268 27 T C 1.618 176.237 174.700 -0.135 0.000 1.057 27 T CA 0.663 62.700 62.100 -0.106 0.000 1.136 27 T CB -0.216 68.588 68.868 -0.105 0.000 0.874 27 T HN 0.107 nan 8.240 nan 0.000 0.466 28 L N 0.460 121.575 121.223 -0.181 0.000 2.240 28 L HA 0.082 4.423 4.340 0.001 0.000 0.211 28 L C 0.642 177.179 176.870 -0.554 0.000 1.106 28 L CA 1.396 56.029 54.840 -0.345 0.000 0.793 28 L CB -0.055 41.781 42.059 -0.372 0.000 0.927 28 L HN 0.337 nan 8.230 nan 0.000 0.446 29 H N -1.611 117.440 119.070 -0.031 0.000 2.439 29 H HA 0.266 4.823 4.556 0.001 0.000 0.230 29 H C -1.798 173.516 175.328 -0.024 0.000 1.420 29 H CA -1.469 54.575 56.048 -0.007 0.000 1.305 29 H CB 0.413 30.188 29.762 0.021 0.000 1.667 29 H HN 0.085 nan 8.280 nan 0.000 0.515 30 P HA -0.202 nan 4.420 nan 0.000 0.218 30 P C 0.933 178.244 177.300 0.017 0.000 1.152 30 P CA 1.580 64.679 63.100 -0.001 0.000 0.857 30 P CB 0.251 31.941 31.700 -0.016 0.000 0.787 31 N N -2.229 116.493 118.700 0.038 0.000 2.275 31 N HA 0.090 4.831 4.740 0.001 0.000 0.236 31 N C -0.081 175.458 175.510 0.048 0.000 1.154 31 N CA -0.194 52.878 53.050 0.036 0.000 0.866 31 N CB 0.027 38.532 38.487 0.031 0.000 1.093 31 N HN 0.074 nan 8.380 nan 0.000 0.515 32 K N -0.598 119.837 120.400 0.059 0.000 2.295 32 K HA 0.469 4.790 4.320 0.001 0.000 0.239 32 K C -0.668 175.954 176.600 0.035 0.000 0.991 32 K CA -0.771 55.549 56.287 0.056 0.000 0.845 32 K CB 1.349 33.889 32.500 0.066 0.000 1.197 32 K HN -0.100 nan 8.250 nan 0.000 0.441 33 T N 1.260 115.837 114.554 0.038 0.000 2.806 33 T HA 0.187 4.537 4.350 0.001 0.000 0.290 33 T C -0.175 174.485 174.700 -0.067 0.000 0.966 33 T CA -0.624 61.488 62.100 0.021 0.000 1.060 33 T CB 0.777 69.688 68.868 0.073 0.000 0.927 33 T HN 0.172 nan 8.240 nan 0.000 0.485 34 V N 5.182 125.054 119.914 -0.069 0.000 2.322 34 V HA 0.242 4.362 4.120 0.001 0.000 0.258 34 V C 0.405 176.432 176.094 -0.111 0.000 1.074 34 V CA -0.544 61.688 62.300 -0.114 0.000 0.909 34 V CB 0.348 32.055 31.823 -0.192 0.000 1.090 34 V HN 0.903 nan 8.190 nan 0.000 0.486 35 M N 5.266 124.720 119.600 -0.243 0.000 2.383 35 M HA 0.444 4.925 4.480 0.001 0.000 0.337 35 M C 0.619 176.797 176.300 -0.203 0.000 1.422 35 M CA -0.317 54.792 55.300 -0.318 0.000 1.333 35 M CB 0.137 32.376 32.600 -0.602 0.000 1.488 35 M HN 0.704 nan 8.290 nan 0.000 0.454 36 A N 5.201 127.921 122.820 -0.167 0.000 2.491 36 A HA 0.353 4.673 4.320 0.001 0.000 0.261 36 A C -0.147 177.526 177.584 0.148 0.000 1.101 36 A CA -0.439 51.593 52.037 -0.008 0.000 0.772 36 A CB -0.098 18.915 19.000 0.022 0.000 1.043 36 A HN 0.686 nan 8.150 nan 0.000 0.501 37 V N 4.812 124.802 119.914 0.127 0.000 2.387 37 V HA 0.163 4.283 4.120 0.001 0.000 0.260 37 V C 0.991 177.330 176.094 0.409 0.000 1.054 37 V CA 0.508 62.943 62.300 0.224 0.000 0.967 37 V CB 0.648 32.610 31.823 0.232 0.000 1.036 37 V HN 0.961 nan 8.190 nan 0.000 0.481 38 V N 2.553 122.655 119.914 0.314 0.000 3.043 38 V HA 0.290 4.411 4.120 0.001 0.000 0.357 38 V C 0.805 176.951 176.094 0.087 0.000 1.372 38 V CA -0.642 61.825 62.300 0.277 0.000 1.214 38 V CB -0.564 31.351 31.823 0.153 0.000 1.224 38 V HN 0.836 nan 8.190 nan 0.000 0.507 39 K N 1.032 121.442 120.400 0.016 0.000 2.286 39 K HA 0.540 4.861 4.320 0.001 0.000 0.256 39 K C 0.760 177.217 176.600 -0.239 0.000 0.999 39 K CA 0.412 56.628 56.287 -0.119 0.000 0.908 39 K CB 0.509 32.922 32.500 -0.144 0.000 0.981 39 K HN 1.264 nan 8.250 nan 0.000 0.500 40 A N 1.556 124.261 122.820 -0.191 0.000 2.745 40 A HA -0.256 4.065 4.320 0.001 0.000 0.296 40 A C 0.374 177.875 177.584 -0.138 0.000 1.500 40 A CA 1.192 53.121 52.037 -0.180 0.000 0.766 40 A CB -2.456 16.392 19.000 -0.254 0.000 1.030 40 A HN 1.108 nan 8.150 nan 0.000 0.489 41 N N -2.784 115.856 118.700 -0.098 0.000 2.756 41 N HA 0.067 4.808 4.740 0.001 0.000 0.248 41 N C 0.384 175.856 175.510 -0.063 0.000 1.062 41 N CA 2.328 55.336 53.050 -0.070 0.000 0.696 41 N CB -1.684 36.769 38.487 -0.056 0.000 0.946 41 N HN 2.375 nan 8.380 nan 0.000 0.548 42 A N 0.335 123.132 122.820 -0.037 0.000 2.610 42 A HA -0.215 4.105 4.320 0.001 0.000 0.299 42 A C 0.683 178.199 177.584 -0.114 0.000 1.487 42 A CA 1.342 53.389 52.037 0.017 0.000 0.743 42 A CB -2.480 16.528 19.000 0.012 0.000 1.070 42 A HN 1.328 nan 8.150 nan 0.000 0.439 43 Y N -3.002 117.164 120.300 -0.224 0.000 3.225 43 Y HA -0.141 4.410 4.550 0.001 0.000 0.211 43 Y C 2.008 177.787 175.900 -0.201 0.000 1.223 43 Y CA 1.954 59.940 58.100 -0.192 0.000 1.284 43 Y CB -1.714 36.613 38.460 -0.221 0.000 1.367 43 Y HN 2.388 nan 8.280 nan 0.000 0.566 44 G N -2.215 106.553 108.800 -0.054 0.000 2.195 44 G HA2 -0.335 3.626 3.960 0.001 0.000 0.246 44 G HA3 -0.335 3.626 3.960 0.001 0.000 0.246 44 G C 0.600 175.471 174.900 -0.048 0.000 0.984 44 G CA 0.198 45.270 45.100 -0.046 0.000 0.633 44 G HN 0.398 nan 8.290 nan 0.000 0.525 45 L N 1.108 122.283 121.223 -0.080 0.000 2.492 45 L HA 0.520 4.860 4.340 0.001 0.000 0.223 45 L C 1.680 178.619 176.870 0.115 0.000 1.132 45 L CA 1.689 56.524 54.840 -0.009 0.000 0.850 45 L CB -0.095 41.939 42.059 -0.041 0.000 0.966 45 L HN 1.520 nan 8.230 nan 0.000 0.454 46 G N -0.725 108.109 108.800 0.056 0.000 3.055 46 G HA2 -0.178 3.783 3.960 0.001 0.000 0.654 46 G HA3 -0.178 3.783 3.960 0.001 0.000 0.654 46 G C 0.759 175.654 174.900 -0.008 0.000 1.134 46 G CA 0.174 45.317 45.100 0.072 0.000 1.049 46 G HN 0.220 nan 8.290 nan 0.000 0.458 47 S N 0.484 116.148 115.700 -0.060 0.000 2.402 47 S HA -0.089 4.382 4.470 0.001 0.000 0.229 47 S C 2.366 176.856 174.600 -0.183 0.000 1.021 47 S CA 1.937 60.077 58.200 -0.099 0.000 0.974 47 S CB -0.000 63.138 63.200 -0.103 0.000 0.800 47 S HN 1.164 nan 8.310 nan 0.000 0.484 48 V N 2.422 122.209 119.914 -0.211 0.000 2.295 48 V HA -0.139 3.982 4.120 0.001 0.000 0.246 48 V C 2.737 178.657 176.094 -0.290 0.000 1.049 48 V CA 1.877 64.012 62.300 -0.274 0.000 1.024 48 V CB -0.570 31.020 31.823 -0.389 0.000 0.648 48 V HN 0.420 nan 8.190 nan 0.000 0.447 49 K N -0.236 119.962 120.400 -0.336 0.000 2.155 49 K HA -0.002 4.318 4.320 0.001 0.000 0.203 49 K C 2.069 178.493 176.600 -0.293 0.000 1.052 49 K CA 0.872 56.876 56.287 -0.472 0.000 0.948 49 K CB -0.706 31.200 32.500 -0.989 0.000 0.728 49 K HN 0.395 nan 8.250 nan 0.000 0.448 50 V N 1.604 121.421 119.914 -0.161 0.000 2.379 50 V HA -0.182 3.939 4.120 0.001 0.000 0.245 50 V C 2.438 178.506 176.094 -0.042 0.000 1.044 50 V CA 1.836 64.133 62.300 -0.005 0.000 1.036 50 V CB -0.682 31.221 31.823 0.134 0.000 0.664 50 V HN 0.257 nan 8.190 nan 0.000 0.453 51 A N 0.255 122.943 122.820 -0.221 0.000 1.877 51 A HA -0.265 4.056 4.320 0.001 0.000 0.216 51 A C 2.358 179.810 177.584 -0.219 0.000 1.186 51 A CA 2.168 53.918 52.037 -0.478 0.000 0.620 51 A CB -0.561 17.920 19.000 -0.864 0.000 0.822 51 A HN 0.502 nan 8.150 nan 0.000 0.443 52 R N -1.391 118.993 120.500 -0.194 0.000 2.081 52 R HA -0.223 4.117 4.340 0.001 0.000 0.235 52 R C 2.175 178.430 176.300 -0.076 0.000 1.131 52 R CA 2.069 58.090 56.100 -0.131 0.000 0.960 52 R CB -0.529 29.673 30.300 -0.164 0.000 0.856 52 R HN 0.704 nan 8.270 nan 0.000 0.436 53 H N 0.014 118.989 119.070 -0.158 0.000 2.387 53 H HA -0.021 4.535 4.556 0.001 0.000 0.299 53 H C 1.744 177.008 175.328 -0.106 0.000 1.090 53 H CA 1.935 57.910 56.048 -0.123 0.000 1.332 53 H CB -0.031 29.663 29.762 -0.114 0.000 1.386 53 H HN 0.199 nan 8.280 nan 0.000 0.516 54 L N -0.598 120.558 121.223 -0.111 0.000 2.217 54 L HA -0.102 4.239 4.340 0.001 0.000 0.211 54 L C 2.333 179.058 176.870 -0.242 0.000 1.107 54 L CA 0.796 55.476 54.840 -0.267 0.000 0.783 54 L CB -0.274 41.680 42.059 -0.174 0.000 0.919 54 L HN 0.388 nan 8.230 nan 0.000 0.442 55 M N -0.599 118.973 119.600 -0.047 0.000 2.296 55 M HA -0.175 4.306 4.480 0.001 0.000 0.265 55 M C 1.590 177.825 176.300 -0.108 0.000 1.064 55 M CA 1.502 56.781 55.300 -0.036 0.000 1.109 55 M CB -0.288 32.334 32.600 0.036 0.000 1.396 55 M HN 0.214 nan 8.290 nan 0.000 0.430 56 E N 0.267 120.371 120.200 -0.161 0.000 2.511 56 E HA -0.075 4.276 4.350 0.001 0.000 0.196 56 E C 0.015 176.506 176.600 -0.182 0.000 1.066 56 E CA 0.414 56.718 56.400 -0.160 0.000 0.871 56 E CB -0.043 29.553 29.700 -0.173 0.000 0.863 56 E HN 0.487 nan 8.360 nan 0.000 0.520 57 N N -0.910 117.654 118.700 -0.226 0.000 2.433 57 N HA 0.178 4.919 4.740 0.001 0.000 0.270 57 N C 0.108 175.588 175.510 -0.050 0.000 1.354 57 N CA 0.357 53.314 53.050 -0.156 0.000 0.889 57 N CB 1.777 40.139 38.487 -0.209 0.000 1.285 57 N HN 0.126 nan 8.380 nan 0.000 0.503 58 G N -0.426 108.347 108.800 -0.046 0.000 2.176 58 G HA2 -0.222 3.739 3.960 0.001 0.000 0.232 58 G HA3 -0.222 3.739 3.960 0.001 0.000 0.232 58 G C 0.280 175.208 174.900 0.046 0.000 0.986 58 G CA -0.118 45.018 45.100 0.059 0.000 0.643 58 G HN 0.575 nan 8.290 nan 0.000 0.522 59 A N 0.706 123.409 122.820 -0.196 0.000 2.454 59 A HA 0.664 4.985 4.320 0.001 0.000 0.260 59 A C 1.376 178.825 177.584 -0.226 0.000 1.106 59 A CA 1.578 53.432 52.037 -0.304 0.000 0.780 59 A CB 0.287 18.908 19.000 -0.633 0.000 1.044 59 A HN 1.538 nan 8.150 nan 0.000 0.498 60 T N -0.680 113.759 114.554 -0.193 0.000 3.043 60 T HA 0.429 4.780 4.350 0.001 0.000 0.272 60 T C -0.287 174.289 174.700 -0.206 0.000 0.990 60 T CA 0.002 62.018 62.100 -0.139 0.000 0.897 60 T CB -0.149 68.697 68.868 -0.037 0.000 1.111 60 T HN 0.419 nan 8.240 nan 0.000 0.529 61 F N 0.870 120.533 119.950 -0.478 0.000 2.596 61 F HA 0.715 5.242 4.527 0.001 0.000 0.311 61 F C -2.037 173.357 175.800 -0.676 0.000 1.116 61 F CA -2.430 55.298 58.000 -0.453 0.000 0.957 61 F CB 1.866 40.604 39.000 -0.436 0.000 1.250 61 F HN 0.011 nan 8.300 nan 0.000 0.444 62 F N 2.537 122.611 119.950 0.208 0.000 2.588 62 F HA 0.806 5.333 4.527 0.001 0.000 0.314 62 F C -0.344 175.495 175.800 0.066 0.000 1.069 62 F CA -0.965 57.080 58.000 0.075 0.000 0.931 62 F CB 2.109 41.104 39.000 -0.008 0.000 1.260 62 F HN 0.546 nan 8.300 nan 0.000 0.465 63 A N 1.855 124.786 122.820 0.184 0.000 2.343 63 A HA 0.878 5.199 4.320 0.001 0.000 0.316 63 A C -1.095 176.516 177.584 0.046 0.000 1.104 63 A CA -0.651 51.403 52.037 0.027 0.000 0.768 63 A CB 1.174 20.107 19.000 -0.112 0.000 1.213 63 A HN 0.908 nan 8.150 nan 0.000 0.456 64 V N -1.138 118.776 119.914 -0.000 0.000 3.126 64 V HA 0.894 5.014 4.120 0.001 0.000 0.314 64 V C 0.783 176.849 176.094 -0.046 0.000 1.138 64 V CA -0.061 62.228 62.300 -0.019 0.000 1.034 64 V CB 1.303 33.114 31.823 -0.021 0.000 1.075 64 V HN 1.376 nan 8.190 nan 0.000 0.442 65 A N 0.729 123.514 122.820 -0.058 0.000 2.030 65 A HA 0.435 4.755 4.320 0.001 0.000 0.215 65 A C 1.219 178.781 177.584 -0.037 0.000 1.164 65 A CA 1.270 53.270 52.037 -0.060 0.000 0.697 65 A CB -0.402 18.551 19.000 -0.079 0.000 0.827 65 A HN 1.599 nan 8.150 nan 0.000 0.457 66 T N -4.625 109.911 114.554 -0.029 0.000 2.903 66 T HA 0.462 4.813 4.350 0.001 0.000 0.299 66 T C 0.528 175.226 174.700 -0.003 0.000 1.093 66 T CA -0.326 61.768 62.100 -0.010 0.000 1.002 66 T CB 1.087 69.947 68.868 -0.013 0.000 1.127 66 T HN 0.099 nan 8.240 nan 0.000 0.488 67 L N 1.619 122.852 121.223 0.017 0.000 2.083 67 L HA 0.069 4.410 4.340 0.001 0.000 0.209 67 L C 1.728 178.590 176.870 -0.014 0.000 1.083 67 L CA 2.135 56.987 54.840 0.019 0.000 0.752 67 L CB -1.143 40.946 42.059 0.049 0.000 0.899 67 L HN 0.866 nan 8.230 nan 0.000 0.433 68 D N -0.725 119.667 120.400 -0.014 0.000 2.149 68 D HA -0.214 4.426 4.640 0.001 0.000 0.198 68 D C 1.976 178.251 176.300 -0.042 0.000 0.990 68 D CA 1.567 55.549 54.000 -0.030 0.000 0.839 68 D CB -0.083 40.706 40.800 -0.018 0.000 0.948 68 D HN 0.500 nan 8.370 nan 0.000 0.460 69 E N 0.305 120.483 120.200 -0.038 0.000 2.110 69 E HA -0.129 4.222 4.350 0.001 0.000 0.193 69 E C 2.159 178.726 176.600 -0.055 0.000 0.988 69 E CA 0.923 57.294 56.400 -0.048 0.000 0.804 69 E CB -0.090 29.581 29.700 -0.049 0.000 0.745 69 E HN 0.298 nan 8.360 nan 0.000 0.458 70 A N 1.108 123.901 122.820 -0.045 0.000 1.898 70 A HA -0.142 4.179 4.320 0.001 0.000 0.216 70 A C 2.152 179.688 177.584 -0.079 0.000 1.181 70 A CA 0.947 52.957 52.037 -0.045 0.000 0.620 70 A CB -0.490 18.503 19.000 -0.010 0.000 0.819 70 A HN 0.127 nan 8.150 nan 0.000 0.442 71 I N -0.583 119.912 120.570 -0.126 0.000 2.315 71 I HA -0.241 3.930 4.170 0.001 0.000 0.248 71 I C 2.539 178.564 176.117 -0.154 0.000 1.117 71 I CA 1.640 62.785 61.300 -0.258 0.000 1.404 71 I CB -0.343 37.445 38.000 -0.353 0.000 1.071 71 I HN 0.542 nan 8.210 nan 0.000 0.419 72 E N 1.528 121.684 120.200 -0.074 0.000 2.085 72 E HA -0.241 4.110 4.350 0.001 0.000 0.194 72 E C 2.360 179.000 176.600 0.067 0.000 0.994 72 E CA 1.363 57.770 56.400 0.013 0.000 0.801 72 E CB -0.038 29.660 29.700 -0.004 0.000 0.743 72 E HN 0.464 nan 8.360 nan 0.000 0.453 73 L N 0.255 121.462 121.223 -0.025 0.000 2.046 73 L HA -0.177 4.163 4.340 0.001 0.000 0.208 73 L C 2.862 179.722 176.870 -0.017 0.000 1.077 73 L CA 0.895 55.704 54.840 -0.051 0.000 0.747 73 L CB -0.467 41.510 42.059 -0.138 0.000 0.896 73 L HN 0.091 nan 8.230 nan 0.000 0.432 74 R N 0.064 120.545 120.500 -0.032 0.000 2.073 74 R HA -0.124 4.217 4.340 0.001 0.000 0.234 74 R C 2.165 178.458 176.300 -0.013 0.000 1.134 74 R CA 1.493 57.589 56.100 -0.007 0.000 0.952 74 R CB -0.667 29.645 30.300 0.020 0.000 0.850 74 R HN 0.415 nan 8.270 nan 0.000 0.433 75 M N -0.475 119.094 119.600 -0.052 0.000 2.346 75 M HA -0.161 4.320 4.480 0.001 0.000 0.263 75 M C 0.598 176.714 176.300 -0.306 0.000 1.064 75 M CA 1.549 56.753 55.300 -0.160 0.000 1.083 75 M CB -0.276 32.186 32.600 -0.229 0.000 1.399 75 M HN 0.183 nan 8.290 nan 0.000 0.435 76 H N -0.947 118.094 119.070 -0.048 0.000 2.488 76 H HA 0.332 4.888 4.556 0.001 0.000 0.294 76 H C 1.137 176.427 175.328 -0.064 0.000 1.088 76 H CA 0.459 56.473 56.048 -0.056 0.000 1.086 76 H CB 0.049 29.766 29.762 -0.076 0.000 1.569 76 H HN 0.459 nan 8.280 nan 0.000 0.548 77 G N 0.430 109.232 108.800 0.004 0.000 2.199 77 G HA2 -0.272 3.688 3.960 0.001 0.000 0.254 77 G HA3 -0.272 3.688 3.960 0.001 0.000 0.254 77 G C 0.191 175.080 174.900 -0.018 0.000 0.982 77 G CA -0.123 44.972 45.100 -0.009 0.000 0.632 77 G HN 0.240 nan 8.290 nan 0.000 0.529 78 I N 2.367 122.919 120.570 -0.030 0.000 2.581 78 I HA 0.175 4.346 4.170 0.001 0.000 0.285 78 I C 1.458 177.560 176.117 -0.025 0.000 1.129 78 I CA 1.199 62.468 61.300 -0.052 0.000 1.397 78 I CB 0.458 38.385 38.000 -0.122 0.000 1.399 78 I HN 0.066 nan 8.210 nan 0.000 0.537 79 T N 4.920 119.466 114.554 -0.015 0.000 3.001 79 T HA 0.232 4.582 4.350 0.001 0.000 0.251 79 T C 1.107 175.779 174.700 -0.047 0.000 1.040 79 T CA -0.028 62.059 62.100 -0.022 0.000 0.985 79 T CB 0.399 69.255 68.868 -0.019 0.000 1.011 79 T HN 0.715 nan 8.240 nan 0.000 0.509 80 A N 1.847 124.656 122.820 -0.019 0.000 2.364 80 A HA 0.357 4.678 4.320 0.001 0.000 0.258 80 A C 0.414 177.873 177.584 -0.210 0.000 1.131 80 A CA -0.122 51.871 52.037 -0.074 0.000 0.800 80 A CB 0.242 19.279 19.000 0.061 0.000 1.086 80 A HN 0.322 nan 8.150 nan 0.000 0.508 81 K N -0.586 119.527 120.400 -0.478 0.000 2.295 81 K HA 0.482 4.802 4.320 0.001 0.000 0.270 81 K C -1.065 175.161 176.600 -0.623 0.000 1.011 81 K CA 0.493 56.272 56.287 -0.847 0.000 0.953 81 K CB 0.519 31.938 32.500 -1.802 0.000 0.956 81 K HN 0.499 nan 8.250 nan 0.000 0.477 82 I N 3.270 123.612 120.570 -0.380 0.000 2.534 82 I HA 0.189 4.359 4.170 0.001 0.000 0.288 82 I C -1.295 174.831 176.117 0.015 0.000 1.077 82 I CA -1.015 60.250 61.300 -0.059 0.000 1.051 82 I CB 1.719 39.718 38.000 -0.003 0.000 1.234 82 I HN 0.332 nan 8.210 nan 0.000 0.425 83 L N 7.938 129.215 121.223 0.089 0.000 2.313 83 L HA 0.586 4.926 4.340 0.001 0.000 0.283 83 L C -0.796 176.048 176.870 -0.044 0.000 1.013 83 L CA -0.399 54.430 54.840 -0.018 0.000 0.816 83 L CB 1.773 43.681 42.059 -0.251 0.000 1.236 83 L HN 0.332 nan 8.230 nan 0.000 0.419 84 V N 7.238 127.147 119.914 -0.008 0.000 2.389 84 V HA 0.120 4.240 4.120 0.001 0.000 0.264 84 V C 1.369 177.441 176.094 -0.036 0.000 1.049 84 V CA -0.126 62.168 62.300 -0.009 0.000 0.932 84 V CB 0.857 32.700 31.823 0.033 0.000 1.011 84 V HN 0.852 nan 8.190 nan 0.000 0.475 85 L N 4.042 125.225 121.223 -0.068 0.000 2.217 85 L HA 0.121 4.462 4.340 0.001 0.000 0.211 85 L C 1.772 178.631 176.870 -0.018 0.000 1.107 85 L CA 0.960 55.760 54.840 -0.067 0.000 0.783 85 L CB -0.350 41.642 42.059 -0.112 0.000 0.919 85 L HN 0.790 nan 8.230 nan 0.000 0.442 86 G N -0.349 108.434 108.800 -0.029 0.000 2.616 86 G HA2 0.356 4.317 3.960 0.001 0.000 0.268 86 G HA3 0.356 4.317 3.960 0.001 0.000 0.268 86 G C -0.566 174.311 174.900 -0.037 0.000 1.213 86 G CA -0.425 44.658 45.100 -0.027 0.000 0.926 86 G HN -0.135 nan 8.290 nan 0.000 0.523 87 V N 0.774 120.663 119.914 -0.042 0.000 2.385 87 V HA 0.241 4.362 4.120 0.001 0.000 0.269 87 V C -0.014 176.114 176.094 0.056 0.000 1.043 87 V CA -0.515 61.738 62.300 -0.079 0.000 0.906 87 V CB 0.931 32.709 31.823 -0.075 0.000 0.995 87 V HN 0.521 nan 8.190 nan 0.000 0.467 88 L N 9.846 131.159 121.223 0.149 0.000 2.264 88 L HA 0.617 4.958 4.340 0.001 0.000 0.289 88 L C -2.111 175.067 176.870 0.514 0.000 1.044 88 L CA -1.638 53.369 54.840 0.278 0.000 0.807 88 L CB 1.375 43.602 42.059 0.278 0.000 1.192 88 L HN 0.394 nan 8.230 nan 0.000 0.425 89 P HA 0.106 nan 4.420 nan 0.000 0.275 89 P C 0.337 177.697 177.300 0.100 0.000 1.228 89 P CA -0.069 63.185 63.100 0.256 0.000 0.786 89 P CB 0.913 32.694 31.700 0.134 0.000 0.927 90 A N 3.965 126.716 122.820 -0.114 0.000 1.916 90 A HA -0.346 3.975 4.320 0.001 0.000 0.224 90 A C 2.064 179.597 177.584 -0.086 0.000 1.366 90 A CA 2.734 54.641 52.037 -0.216 0.000 0.692 90 A CB -1.644 17.206 19.000 -0.250 0.000 0.841 90 A HN 0.632 nan 8.150 nan 0.000 0.480 91 K N -1.196 119.180 120.400 -0.040 0.000 2.081 91 K HA -0.265 4.056 4.320 0.001 0.000 0.222 91 K C 1.048 177.650 176.600 0.003 0.000 1.055 91 K CA 2.063 58.342 56.287 -0.014 0.000 0.954 91 K CB -0.473 32.032 32.500 0.009 0.000 0.732 91 K HN 0.581 nan 8.250 nan 0.000 0.458 92 D N 0.015 120.434 120.400 0.033 0.000 2.328 92 D HA 0.091 4.732 4.640 0.001 0.000 0.221 92 D C 1.581 177.922 176.300 0.068 0.000 1.072 92 D CA 0.153 54.185 54.000 0.053 0.000 0.850 92 D CB 0.005 40.848 40.800 0.070 0.000 0.922 92 D HN 0.231 nan 8.370 nan 0.000 0.516 93 I N 1.010 121.609 120.570 0.048 0.000 2.113 93 I HA -0.326 3.845 4.170 0.001 0.000 0.242 93 I C 1.920 178.071 176.117 0.057 0.000 1.064 93 I CA 1.316 62.654 61.300 0.062 0.000 1.320 93 I CB -0.036 37.958 38.000 -0.011 0.000 1.028 93 I HN -0.095 nan 8.210 nan 0.000 0.406 94 D N 0.925 121.339 120.400 0.022 0.000 2.191 94 D HA -0.231 4.410 4.640 0.001 0.000 0.195 94 D C 2.120 178.449 176.300 0.047 0.000 1.003 94 D CA 1.460 55.471 54.000 0.019 0.000 0.867 94 D CB -0.158 40.643 40.800 0.002 0.000 0.926 94 D HN 0.320 nan 8.370 nan 0.000 0.450 95 K N -0.236 120.210 120.400 0.078 0.000 2.288 95 K HA 0.076 4.396 4.320 0.001 0.000 0.201 95 K C 1.931 178.648 176.600 0.196 0.000 1.048 95 K CA 0.761 57.130 56.287 0.137 0.000 0.956 95 K CB 0.138 32.730 32.500 0.153 0.000 0.746 95 K HN 0.049 nan 8.250 nan 0.000 0.461 96 A N 1.132 124.046 122.820 0.157 0.000 1.930 96 A HA -0.043 4.278 4.320 0.001 0.000 0.215 96 A C 1.996 179.685 177.584 0.175 0.000 1.176 96 A CA 0.850 52.995 52.037 0.180 0.000 0.632 96 A CB -0.313 18.796 19.000 0.182 0.000 0.819 96 A HN 0.118 nan 8.150 nan 0.000 0.445 97 I N -0.556 120.083 120.570 0.114 0.000 2.202 97 I HA -0.287 3.884 4.170 0.001 0.000 0.242 97 I C 2.727 178.874 176.117 0.050 0.000 1.091 97 I CA 1.375 62.714 61.300 0.065 0.000 1.368 97 I CB -0.549 37.455 38.000 0.006 0.000 1.058 97 I HN 0.430 nan 8.210 nan 0.000 0.410 98 Q N -0.028 119.780 119.800 0.014 0.000 2.124 98 Q HA -0.230 4.111 4.340 0.001 0.000 0.202 98 Q C 1.593 177.504 176.000 -0.148 0.000 0.977 98 Q CA 1.604 57.352 55.803 -0.092 0.000 0.850 98 Q CB -0.144 28.488 28.738 -0.176 0.000 0.901 98 Q HN 0.629 nan 8.270 nan 0.000 0.429 99 H N -0.654 118.458 119.070 0.071 0.000 2.539 99 H HA 0.247 4.804 4.556 0.001 0.000 0.269 99 H C -0.411 174.980 175.328 0.106 0.000 0.980 99 H CA -0.153 55.938 56.048 0.072 0.000 1.152 99 H CB 0.404 30.198 29.762 0.053 0.000 1.407 99 H HN 0.057 nan 8.280 nan 0.000 0.564 100 R N -0.053 120.599 120.500 0.253 0.000 3.261 100 R HA -0.115 4.226 4.340 0.001 0.000 0.257 100 R C -1.357 175.108 176.300 0.275 0.000 1.014 100 R CA 0.180 56.489 56.100 0.349 0.000 0.681 100 R CB -2.128 28.332 30.300 0.268 0.000 1.155 100 R HN 0.047 nan 8.270 nan 0.000 0.424 101 V N 0.630 120.713 119.914 0.282 0.000 2.487 101 V HA 0.634 4.754 4.120 0.001 0.000 0.298 101 V C 0.692 176.951 176.094 0.275 0.000 1.028 101 V CA -0.456 61.964 62.300 0.200 0.000 0.860 101 V CB 1.864 33.777 31.823 0.150 0.000 0.991 101 V HN 0.447 nan 8.190 nan 0.000 0.427 102 A N 5.924 128.894 122.820 0.251 0.000 2.371 102 A HA 0.775 5.096 4.320 0.001 0.000 0.257 102 A C -0.452 177.283 177.584 0.251 0.000 1.089 102 A CA -0.082 52.164 52.037 0.348 0.000 0.794 102 A CB 0.278 19.491 19.000 0.355 0.000 1.029 102 A HN 0.797 nan 8.150 nan 0.000 0.488 103 L N 0.434 121.839 121.223 0.304 0.000 2.279 103 L HA 0.523 4.864 4.340 0.001 0.000 0.262 103 L C 0.120 177.102 176.870 0.187 0.000 1.019 103 L CA -0.768 54.199 54.840 0.210 0.000 0.823 103 L CB 2.278 44.495 42.059 0.264 0.000 1.358 103 L HN 0.630 nan 8.230 nan 0.000 0.432 104 T N 0.930 115.503 114.554 0.032 0.000 2.799 104 T HA 0.369 4.720 4.350 0.001 0.000 0.286 104 T C -0.316 174.174 174.700 -0.351 0.000 0.973 104 T CA -0.332 61.792 62.100 0.039 0.000 1.035 104 T CB 1.422 70.354 68.868 0.107 0.000 0.932 104 T HN 0.176 nan 8.240 nan 0.000 0.469 105 V N 7.852 127.662 119.914 -0.173 0.000 2.334 105 V HA 0.229 4.350 4.120 0.001 0.000 0.267 105 V C -1.263 174.703 176.094 -0.214 0.000 1.040 105 V CA -1.401 60.734 62.300 -0.275 0.000 0.866 105 V CB 1.172 33.045 31.823 0.083 0.000 1.019 105 V HN 0.740 nan 8.190 nan 0.000 0.468 106 P HA 0.075 nan 4.420 nan 0.000 0.239 106 P C 0.260 177.532 177.300 -0.046 0.000 1.188 106 P CA 0.570 63.561 63.100 -0.182 0.000 0.794 106 P CB 0.745 32.309 31.700 -0.226 0.000 0.937 107 S N -2.249 113.480 115.700 0.048 0.000 2.615 107 S HA 0.280 4.751 4.470 0.001 0.000 0.268 107 S C 0.616 175.326 174.600 0.183 0.000 1.146 107 S CA -0.814 57.451 58.200 0.109 0.000 0.818 107 S CB 1.577 64.845 63.200 0.113 0.000 1.111 107 S HN -0.113 nan 8.310 nan 0.000 0.465 108 K N 0.452 120.933 120.400 0.135 0.000 2.103 108 K HA -0.115 4.205 4.320 0.001 0.000 0.204 108 K C 2.120 178.797 176.600 0.129 0.000 1.052 108 K CA 1.522 57.883 56.287 0.124 0.000 0.945 108 K CB -0.393 32.153 32.500 0.076 0.000 0.722 108 K HN 0.687 nan 8.250 nan 0.000 0.443 109 Q N -0.199 119.676 119.800 0.126 0.000 2.077 109 Q HA -0.246 4.095 4.340 0.001 0.000 0.206 109 Q C 1.914 177.986 176.000 0.120 0.000 0.989 109 Q CA 2.217 58.080 55.803 0.101 0.000 0.853 109 Q CB -0.471 28.327 28.738 0.101 0.000 0.907 109 Q HN 0.565 nan 8.270 nan 0.000 0.418 110 W N 0.585 121.894 121.300 0.015 0.000 2.358 110 W HA -0.216 4.445 4.660 0.001 0.000 0.303 110 W C 1.874 178.400 176.519 0.012 0.000 1.208 110 W CA 1.349 58.705 57.345 0.018 0.000 1.274 110 W CB -0.302 29.177 29.460 0.031 0.000 1.138 110 W HN 0.364 nan 8.180 nan 0.000 0.515 111 L N 1.722 123.150 121.223 0.341 0.000 1.973 111 L HA -0.131 4.209 4.340 0.001 0.000 0.208 111 L C 2.384 179.188 176.870 -0.110 0.000 1.073 111 L CA 2.317 57.247 54.840 0.150 0.000 0.746 111 L CB -1.358 40.846 42.059 0.242 0.000 0.891 111 L HN -0.100 nan 8.230 nan 0.000 0.433 112 K N -0.548 119.826 120.400 -0.043 0.000 2.052 112 K HA -0.307 4.013 4.320 0.001 0.000 0.215 112 K C 2.100 178.610 176.600 -0.150 0.000 1.053 112 K CA 2.078 58.318 56.287 -0.078 0.000 0.934 112 K CB -0.320 32.165 32.500 -0.026 0.000 0.717 112 K HN 0.333 nan 8.250 nan 0.000 0.450 113 E N 0.704 120.798 120.200 -0.176 0.000 2.038 113 E HA -0.174 4.177 4.350 0.001 0.000 0.195 113 E C 1.790 178.197 176.600 -0.322 0.000 1.000 113 E CA 1.721 57.989 56.400 -0.220 0.000 0.803 113 E CB -0.292 29.276 29.700 -0.221 0.000 0.750 113 E HN 0.319 nan 8.360 nan 0.000 0.448 114 A N 0.568 123.070 122.820 -0.531 0.000 2.024 114 A HA -0.102 4.219 4.320 0.001 0.000 0.220 114 A C 1.809 179.175 177.584 -0.363 0.000 1.164 114 A CA 1.119 52.802 52.037 -0.591 0.000 0.643 114 A CB -0.693 17.688 19.000 -1.032 0.000 0.806 114 A HN 0.358 nan 8.150 nan 0.000 0.451 115 I N -0.751 119.627 120.570 -0.320 0.000 3.426 115 I HA -0.035 4.136 4.170 0.001 0.000 0.295 115 I C 0.855 176.842 176.117 -0.218 0.000 1.215 115 I CA 0.720 61.835 61.300 -0.308 0.000 1.383 115 I CB -0.375 37.385 38.000 -0.400 0.000 1.110 115 I HN 0.314 nan 8.210 nan 0.000 0.540 116 K N -0.127 120.160 120.400 -0.188 0.000 2.603 116 K HA 0.107 4.428 4.320 0.001 0.000 0.216 116 K C 1.272 177.806 176.600 -0.110 0.000 1.562 116 K CA -0.069 56.141 56.287 -0.129 0.000 1.012 116 K CB 0.393 32.824 32.500 -0.115 0.000 1.280 116 K HN 0.130 nan 8.250 nan 0.000 0.620 117 N N 1.483 120.106 118.700 -0.129 0.000 2.270 117 N HA 0.149 4.890 4.740 0.001 0.000 0.198 117 N C -0.381 175.082 175.510 -0.079 0.000 1.117 117 N CA 0.061 53.055 53.050 -0.093 0.000 0.845 117 N CB 0.567 38.998 38.487 -0.094 0.000 0.980 117 N HN 0.112 nan 8.380 nan 0.000 0.486 118 I N 2.215 122.728 120.570 -0.095 0.000 2.347 118 I HA 0.017 4.188 4.170 0.001 0.000 0.294 118 I C 0.348 176.433 176.117 -0.053 0.000 1.090 118 I CA -0.125 61.129 61.300 -0.078 0.000 1.314 118 I CB 0.596 38.533 38.000 -0.106 0.000 1.423 118 I HN 0.051 nan 8.210 nan 0.000 0.503 125 K N 1.369 121.525 120.400 -0.408 0.000 2.154 125 K HA 0.400 4.720 4.320 0.001 0.000 0.264 125 K C -0.003 176.174 176.600 -0.705 0.000 1.008 125 K CA -0.976 54.901 56.287 -0.685 0.000 0.937 125 K CB 0.953 32.737 32.500 -1.194 0.000 1.002 125 K HN 0.455 nan 8.250 nan 0.000 0.469 126 L N 3.128 124.051 121.223 -0.501 0.000 2.295 126 L HA 0.340 4.681 4.340 0.001 0.000 0.281 126 L C -1.290 175.478 176.870 -0.170 0.000 1.018 126 L CA -0.370 54.340 54.840 -0.217 0.000 0.841 126 L CB 0.471 42.495 42.059 -0.059 0.000 1.218 126 L HN 0.421 nan 8.230 nan 0.000 0.424 127 W N 7.502 128.912 121.300 0.183 0.000 2.332 127 W HA 0.419 5.080 4.660 0.001 0.000 0.306 127 W C -0.829 175.875 176.519 0.308 0.000 1.149 127 W CA -0.602 56.882 57.345 0.232 0.000 1.271 127 W CB 1.073 30.669 29.460 0.227 0.000 1.243 127 W HN 0.394 nan 8.180 nan 0.000 0.459 128 L N 3.972 125.500 121.223 0.509 0.000 2.346 128 L HA 0.413 4.754 4.340 0.001 0.000 0.276 128 L C 0.156 177.339 176.870 0.521 0.000 1.006 128 L CA -0.786 54.348 54.840 0.490 0.000 0.817 128 L CB 1.913 44.216 42.059 0.406 0.000 1.272 128 L HN 0.260 nan 8.230 nan 0.000 0.421 129 H N 4.156 123.471 119.070 0.409 0.000 2.551 129 H HA 0.446 5.002 4.556 0.001 0.000 0.321 129 H C -0.528 175.092 175.328 0.487 0.000 1.028 129 H CA -0.659 55.683 56.048 0.491 0.000 1.215 129 H CB 2.124 32.200 29.762 0.523 0.000 1.414 129 H HN 0.407 nan 8.280 nan 0.000 0.480 130 I N 3.084 123.975 120.570 0.535 0.000 2.474 130 I HA 0.070 4.240 4.170 0.001 0.000 0.287 130 I C 0.530 176.611 176.117 -0.060 0.000 1.048 130 I CA 0.022 61.505 61.300 0.304 0.000 1.383 130 I CB 0.797 39.044 38.000 0.411 0.000 1.412 130 I HN 0.302 nan 8.210 nan 0.000 0.531 131 K N 7.332 127.547 120.400 -0.309 0.000 2.213 131 K HA 0.583 4.903 4.320 0.001 0.000 0.270 131 K C -1.355 175.020 176.600 -0.375 0.000 1.002 131 K CA -0.541 55.292 56.287 -0.757 0.000 0.868 131 K CB 0.907 33.032 32.500 -0.625 0.000 1.093 131 K HN 0.546 nan 8.250 nan 0.000 0.454 132 L N 2.962 123.970 121.223 -0.358 0.000 2.329 132 L HA 0.307 4.647 4.340 0.001 0.000 0.279 132 L C -0.403 176.380 176.870 -0.144 0.000 1.014 132 L CA -1.115 53.613 54.840 -0.187 0.000 0.814 132 L CB 1.621 43.598 42.059 -0.137 0.000 1.257 132 L HN 0.659 nan 8.230 nan 0.000 0.424 133 D N 1.315 121.662 120.400 -0.089 0.000 2.347 133 D HA 0.120 4.760 4.640 0.001 0.000 0.235 133 D C 0.696 176.983 176.300 -0.020 0.000 1.149 133 D CA -0.274 53.696 54.000 -0.048 0.000 0.850 133 D CB 1.278 42.059 40.800 -0.032 0.000 1.061 133 D HN 0.600 nan 8.370 nan 0.000 0.487 134 T N 0.797 115.354 114.554 0.005 0.000 3.251 134 T HA 0.496 4.846 4.350 0.001 0.000 0.259 134 T C 1.156 175.884 174.700 0.047 0.000 0.998 134 T CA 0.071 62.196 62.100 0.042 0.000 0.905 134 T CB 0.277 69.205 68.868 0.100 0.000 1.067 134 T HN 0.497 nan 8.240 nan 0.000 0.569 135 G N 1.143 109.962 108.800 0.031 0.000 3.006 135 G HA2 -0.161 3.800 3.960 0.001 0.000 0.195 135 G HA3 -0.161 3.800 3.960 0.001 0.000 0.195 135 G C 0.868 175.784 174.900 0.026 0.000 1.034 135 G CA 0.128 45.245 45.100 0.029 0.000 0.807 135 G HN 0.295 nan 8.290 nan 0.000 0.469 136 M N 1.096 120.717 119.600 0.034 0.000 2.541 136 M HA 0.289 4.769 4.480 0.001 0.000 0.252 136 M C 2.168 178.482 176.300 0.023 0.000 1.125 136 M CA 1.885 57.203 55.300 0.030 0.000 1.091 136 M CB -0.146 32.479 32.600 0.042 0.000 1.420 136 M HN 1.327 nan 8.290 nan 0.000 0.486 137 G N 0.575 109.386 108.800 0.017 0.000 2.399 137 G HA2 -0.248 3.712 3.960 0.001 0.000 0.216 137 G HA3 -0.248 3.712 3.960 0.001 0.000 0.216 137 G C 0.529 175.434 174.900 0.008 0.000 1.096 137 G CA -0.211 44.896 45.100 0.011 0.000 0.650 137 G HN 0.375 nan 8.290 nan 0.000 0.512 138 R N 1.065 121.577 120.500 0.019 0.000 3.853 138 R HA 0.049 4.389 4.340 0.001 0.000 0.254 138 R C 0.379 176.675 176.300 -0.006 0.000 0.565 138 R CA -0.016 56.095 56.100 0.019 0.000 1.000 138 R CB -0.480 29.852 30.300 0.053 0.000 0.943 138 R HN 0.389 nan 8.270 nan 0.000 0.331 139 L N 2.016 123.232 121.223 -0.011 0.000 2.931 139 L HA -0.187 4.154 4.340 0.001 0.000 0.321 139 L C 1.323 178.163 176.870 -0.050 0.000 1.210 139 L CA 2.076 56.903 54.840 -0.023 0.000 0.856 139 L CB -0.334 41.714 42.059 -0.018 0.000 1.164 139 L HN 0.894 nan 8.230 nan 0.000 0.527 140 G N 2.939 111.708 108.800 -0.052 0.000 2.316 140 G HA2 0.271 4.232 3.960 0.001 0.000 0.296 140 G HA3 0.271 4.232 3.960 0.001 0.000 0.296 140 G C -1.168 173.701 174.900 -0.052 0.000 1.399 140 G CA -1.130 43.920 45.100 -0.083 0.000 0.833 140 G HN 0.473 nan 8.290 nan 0.000 0.565 141 I N 1.212 121.751 120.570 -0.052 0.000 2.587 141 I HA 0.088 4.259 4.170 0.001 0.000 0.284 141 I C 1.470 177.567 176.117 -0.032 0.000 1.134 141 I CA 0.164 61.454 61.300 -0.015 0.000 1.410 141 I CB 1.195 39.212 38.000 0.028 0.000 1.392 141 I HN 0.571 nan 8.210 nan 0.000 0.545 142 K N 3.478 123.870 120.400 -0.013 0.000 2.166 142 K HA -0.034 4.286 4.320 0.001 0.000 0.201 142 K C 0.005 176.597 176.600 -0.013 0.000 1.052 142 K CA 0.642 56.920 56.287 -0.016 0.000 0.969 142 K CB 0.173 32.671 32.500 -0.004 0.000 0.761 142 K HN 0.723 nan 8.250 nan 0.000 0.459 143 D N -1.094 119.309 120.400 0.006 0.000 2.163 143 D HA 0.077 4.717 4.640 0.001 0.000 0.248 143 D C 0.456 176.786 176.300 0.049 0.000 1.035 143 D CA -0.427 53.584 54.000 0.018 0.000 0.872 143 D CB 1.564 42.377 40.800 0.021 0.000 1.183 143 D HN -0.249 nan 8.370 nan 0.000 0.445 144 T N 0.761 115.345 114.554 0.049 0.000 2.759 144 T HA -0.149 4.201 4.350 0.001 0.000 0.269 144 T C 1.535 176.311 174.700 0.125 0.000 1.042 144 T CA 0.991 63.157 62.100 0.111 0.000 1.140 144 T CB -0.035 68.874 68.868 0.069 0.000 0.864 144 T HN 0.334 nan 8.240 nan 0.000 0.455 145 K N 1.264 121.704 120.400 0.066 0.000 1.969 145 K HA -0.068 4.252 4.320 0.001 0.000 0.216 145 K C 2.582 179.209 176.600 0.045 0.000 1.048 145 K CA 1.578 57.890 56.287 0.041 0.000 0.948 145 K CB -1.384 31.132 32.500 0.026 0.000 0.726 145 K HN 0.299 nan 8.250 nan 0.000 0.442 146 T N 1.361 115.948 114.554 0.054 0.000 2.721 146 T HA -0.217 4.134 4.350 0.001 0.000 0.268 146 T C 1.726 176.473 174.700 0.080 0.000 1.038 146 T CA 1.686 63.819 62.100 0.055 0.000 1.145 146 T CB -0.490 68.413 68.868 0.057 0.000 0.858 146 T HN 0.239 nan 8.240 nan 0.000 0.459 147 Y N 1.937 122.216 120.300 -0.035 0.000 2.145 147 Y HA -0.175 4.376 4.550 0.001 0.000 0.286 147 Y C 2.485 178.332 175.900 -0.089 0.000 1.145 147 Y CA 1.353 59.418 58.100 -0.058 0.000 1.148 147 Y CB -0.625 37.805 38.460 -0.050 0.000 0.981 147 Y HN 0.263 nan 8.280 nan 0.000 0.507 148 Q N -0.198 119.524 119.800 -0.131 0.000 2.167 148 Q HA -0.181 4.159 4.340 0.001 0.000 0.202 148 Q C 2.107 178.000 176.000 -0.178 0.000 0.970 148 Q CA 1.747 57.415 55.803 -0.226 0.000 0.855 148 Q CB -0.129 28.552 28.738 -0.094 0.000 0.911 148 Q HN 0.626 nan 8.270 nan 0.000 0.438 149 E N -0.141 120.002 120.200 -0.094 0.000 2.106 149 E HA -0.134 4.216 4.350 0.001 0.000 0.192 149 E C 2.051 178.606 176.600 -0.074 0.000 0.984 149 E CA 1.026 57.390 56.400 -0.061 0.000 0.806 149 E CB 0.123 29.812 29.700 -0.018 0.000 0.750 149 E HN 0.123 nan 8.360 nan 0.000 0.458 150 V N 1.512 121.371 119.914 -0.092 0.000 2.358 150 V HA -0.247 3.874 4.120 0.001 0.000 0.246 150 V C 2.182 178.175 176.094 -0.168 0.000 1.047 150 V CA 1.410 63.661 62.300 -0.081 0.000 1.035 150 V CB -0.322 31.478 31.823 -0.038 0.000 0.658 150 V HN 0.255 nan 8.190 nan 0.000 0.452 151 I N -0.148 120.215 120.570 -0.344 0.000 2.133 151 I HA -0.263 3.908 4.170 0.001 0.000 0.238 151 I C 2.592 178.589 176.117 -0.200 0.000 1.074 151 I CA 1.961 63.002 61.300 -0.432 0.000 1.342 151 I CB -0.479 37.128 38.000 -0.655 0.000 1.053 151 I HN 0.371 nan 8.210 nan 0.000 0.404 152 E N 1.457 121.562 120.200 -0.158 0.000 2.114 152 E HA -0.270 4.081 4.350 0.001 0.000 0.199 152 E C 2.235 178.822 176.600 -0.023 0.000 1.008 152 E CA 1.663 58.015 56.400 -0.080 0.000 0.810 152 E CB -0.106 29.554 29.700 -0.066 0.000 0.739 152 E HN 0.476 nan 8.360 nan 0.000 0.456 153 I N 0.695 121.265 120.570 -0.000 0.000 2.286 153 I HA -0.267 3.904 4.170 0.001 0.000 0.248 153 I C 2.095 178.314 176.117 0.169 0.000 1.115 153 I CA 0.427 61.783 61.300 0.093 0.000 1.392 153 I CB -0.218 37.832 38.000 0.084 0.000 1.065 153 I HN 0.243 nan 8.210 nan 0.000 0.418 154 I N 0.570 121.192 120.570 0.087 0.000 2.252 154 I HA -0.260 3.910 4.170 0.001 0.000 0.245 154 I C 2.477 178.679 176.117 0.141 0.000 1.102 154 I CA 1.580 62.959 61.300 0.130 0.000 1.385 154 I CB -1.333 36.723 38.000 0.092 0.000 1.064 154 I HN 0.371 nan 8.210 nan 0.000 0.414 155 Q N 0.220 120.059 119.800 0.066 0.000 2.226 155 Q HA -0.212 4.129 4.340 0.001 0.000 0.204 155 Q C 2.092 178.091 176.000 -0.002 0.000 0.975 155 Q CA 1.079 56.903 55.803 0.035 0.000 0.866 155 Q CB -0.156 28.582 28.738 -0.001 0.000 0.915 155 Q HN 0.609 nan 8.270 nan 0.000 0.440 156 Q N -0.649 119.139 119.800 -0.019 0.000 2.297 156 Q HA -0.077 4.264 4.340 0.001 0.000 0.204 156 Q C -0.439 175.270 176.000 -0.484 0.000 0.962 156 Q CA 0.688 56.341 55.803 -0.250 0.000 0.879 156 Q CB 0.336 28.873 28.738 -0.334 0.000 0.947 156 Q HN 0.334 nan 8.270 nan 0.000 0.462 157 Y N -0.153 120.143 120.300 -0.007 0.000 2.328 157 Y HA 0.183 4.733 4.550 0.001 0.000 0.333 157 Y C 0.600 176.494 175.900 -0.010 0.000 0.958 157 Y CA -0.798 57.296 58.100 -0.011 0.000 1.167 157 Y CB 1.194 39.647 38.460 -0.013 0.000 1.151 157 Y HN -0.054 nan 8.280 nan 0.000 0.470 158 E N 1.354 121.602 120.200 0.081 0.000 2.204 158 E HA -0.247 4.104 4.350 0.001 0.000 0.195 158 E C 1.543 178.164 176.600 0.036 0.000 0.990 158 E CA 0.915 57.341 56.400 0.044 0.000 0.821 158 E CB 0.236 29.945 29.700 0.016 0.000 0.750 158 E HN 0.735 nan 8.360 nan 0.000 0.477 159 Q N 0.305 120.137 119.800 0.053 0.000 2.311 159 Q HA 0.001 4.341 4.340 0.001 0.000 0.203 159 Q C 0.216 176.184 176.000 -0.053 0.000 0.954 159 Q CA 0.185 55.977 55.803 -0.018 0.000 0.885 159 Q CB 0.330 29.062 28.738 -0.011 0.000 0.963 159 Q HN 0.197 nan 8.270 nan 0.000 0.471 160 L N 1.608 122.849 121.223 0.030 0.000 2.305 160 L HA 0.318 4.658 4.340 0.001 0.000 0.281 160 L C -0.752 176.157 176.870 0.064 0.000 1.085 160 L CA -0.637 54.225 54.840 0.037 0.000 0.813 160 L CB 1.539 43.651 42.059 0.087 0.000 1.157 160 L HN -0.122 nan 8.230 nan 0.000 0.436 161 V N 3.902 123.856 119.914 0.066 0.000 2.444 161 V HA 0.200 4.321 4.120 0.001 0.000 0.294 161 V C -0.334 175.951 176.094 0.318 0.000 1.022 161 V CA -0.520 61.880 62.300 0.166 0.000 0.850 161 V CB 1.824 33.721 31.823 0.124 0.000 0.992 161 V HN 0.449 nan 8.190 nan 0.000 0.426 162 F N 4.376 124.414 119.950 0.147 0.000 2.566 162 F HA 0.295 4.822 4.527 0.001 0.000 0.349 162 F C 1.184 177.069 175.800 0.141 0.000 1.245 162 F CA -0.191 57.890 58.000 0.135 0.000 1.169 162 F CB 0.291 39.340 39.000 0.081 0.000 1.470 162 F HN 0.751 nan 8.300 nan 0.000 0.634 163 E N 2.654 122.849 120.200 -0.008 0.000 2.250 163 E HA 0.256 4.606 4.350 0.001 0.000 0.192 163 E C 0.717 177.070 176.600 -0.412 0.000 0.986 163 E CA 0.512 56.861 56.400 -0.085 0.000 0.849 163 E CB 0.212 30.050 29.700 0.229 0.000 0.797 163 E HN 0.741 nan 8.360 nan 0.000 0.482 164 G N -0.296 108.116 108.800 -0.647 0.000 2.623 164 G HA2 0.460 4.421 3.960 0.001 0.000 0.290 164 G HA3 0.460 4.421 3.960 0.001 0.000 0.290 164 G C -1.986 172.943 174.900 0.048 0.000 1.437 164 G CA -0.330 44.520 45.100 -0.416 0.000 0.798 164 G HN 0.079 nan 8.290 nan 0.000 0.488 165 V N 0.398 120.462 119.914 0.251 0.000 2.888 165 V HA 0.949 5.070 4.120 0.001 0.000 0.309 165 V C -1.337 174.968 176.094 0.352 0.000 1.114 165 V CA -0.817 61.723 62.300 0.400 0.000 0.940 165 V CB 1.515 33.612 31.823 0.456 0.000 1.021 165 V HN 1.471 nan 8.190 nan 0.000 0.426 166 F N 2.470 122.454 119.950 0.056 0.000 2.779 166 F HA 0.911 5.439 4.527 0.001 0.000 0.316 166 F C -0.798 174.881 175.800 -0.202 0.000 1.164 166 F CA -0.309 57.550 58.000 -0.236 0.000 0.924 166 F CB 1.675 40.196 39.000 -0.799 0.000 1.348 166 F HN 0.643 nan 8.300 nan 0.000 0.467 167 T N -1.049 113.269 114.554 -0.393 0.000 2.762 167 T HA 0.464 4.814 4.350 0.001 0.000 0.301 167 T C -2.479 172.052 174.700 -0.281 0.000 1.299 167 T CA -0.548 61.289 62.100 -0.439 0.000 1.005 167 T CB 1.421 69.928 68.868 -0.601 0.000 1.377 167 T HN 1.022 nan 8.240 nan 0.000 0.504 168 H N 0.830 119.701 119.070 -0.331 0.000 2.823 168 H HA 0.598 5.155 4.556 0.001 0.000 0.332 168 H C -1.160 174.056 175.328 -0.187 0.000 0.980 168 H CA -0.645 55.245 56.048 -0.265 0.000 1.286 168 H CB 0.182 29.910 29.762 -0.057 0.000 1.541 168 H HN 0.329 nan 8.280 nan 0.000 0.521 169 F N 2.947 122.686 119.950 -0.352 0.000 2.471 169 F HA 0.280 4.808 4.527 0.001 0.000 0.353 169 F C 1.497 177.121 175.800 -0.294 0.000 1.113 169 F CA 0.319 58.173 58.000 -0.243 0.000 1.262 169 F CB 0.661 39.554 39.000 -0.179 0.000 1.146 169 F HN 0.757 nan 8.300 nan 0.000 0.578 170 A N 1.178 124.040 122.820 0.070 0.000 1.984 170 A HA 0.090 4.410 4.320 0.001 0.000 0.214 170 A C 0.813 178.413 177.584 0.027 0.000 1.173 170 A CA 0.552 52.611 52.037 0.035 0.000 0.673 170 A CB -0.364 18.668 19.000 0.052 0.000 0.830 170 A HN 0.714 nan 8.150 nan 0.000 0.453 171 C N -0.385 118.932 119.300 0.027 0.000 3.290 171 C HA 0.637 5.097 4.460 0.001 0.000 0.206 171 C C 1.588 176.581 174.990 0.005 0.000 1.639 171 C CA -0.566 58.457 59.018 0.009 0.000 1.408 171 C CB -0.533 27.198 27.740 -0.015 0.000 2.197 171 C HN 0.611 nan 8.230 nan 0.000 0.508 172 A N -0.095 122.749 122.820 0.040 0.000 2.178 172 A HA 0.024 4.345 4.320 0.001 0.000 0.211 172 A C 1.462 179.124 177.584 0.129 0.000 1.157 172 A CA 1.119 53.191 52.037 0.058 0.000 0.780 172 A CB -0.156 18.903 19.000 0.097 0.000 0.828 172 A HN 0.584 nan 8.150 nan 0.000 0.476 173 D N 0.207 120.685 120.400 0.130 0.000 2.340 173 D HA 0.113 4.754 4.640 0.001 0.000 0.220 173 D C 0.246 176.634 176.300 0.146 0.000 1.039 173 D CA 0.482 54.601 54.000 0.199 0.000 0.866 173 D CB 0.414 41.321 40.800 0.179 0.000 0.913 173 D HN 0.598 nan 8.370 nan 0.000 0.523 174 E N 0.233 120.408 120.200 -0.041 0.000 2.416 174 E HA 0.359 4.709 4.350 0.001 0.000 0.273 174 E C -2.550 173.789 176.600 -0.435 0.000 0.935 174 E CA -1.941 54.224 56.400 -0.392 0.000 0.784 174 E CB 2.831 32.397 29.700 -0.225 0.000 1.301 174 E HN -0.122 nan 8.360 nan 0.000 0.454 175 P HA 0.444 nan 4.420 nan 0.000 0.282 175 P C -0.461 176.751 177.300 -0.146 0.000 1.249 175 P CA -0.120 62.805 63.100 -0.292 0.000 0.806 175 P CB 1.336 32.862 31.700 -0.290 0.000 0.984 176 G N 1.510 110.268 108.800 -0.070 0.000 2.353 176 G HA2 0.001 3.962 3.960 0.001 0.000 0.308 176 G HA3 0.001 3.962 3.960 0.001 0.000 0.308 176 G C -0.540 174.331 174.900 -0.048 0.000 1.418 176 G CA -0.531 44.536 45.100 -0.056 0.000 0.966 176 G HN 0.308 nan 8.290 nan 0.000 0.638 177 D N 0.005 120.380 120.400 -0.041 0.000 2.349 177 D HA 0.089 4.730 4.640 0.001 0.000 0.215 177 D C 2.577 178.847 176.300 -0.049 0.000 1.016 177 D CA 0.479 54.455 54.000 -0.040 0.000 0.870 177 D CB 0.125 40.911 40.800 -0.024 0.000 0.917 177 D HN 0.328 nan 8.370 nan 0.000 0.524 178 M N 0.071 119.641 119.600 -0.049 0.000 2.088 178 M HA -0.176 4.304 4.480 0.001 0.000 0.256 178 M C 2.168 178.421 176.300 -0.078 0.000 1.071 178 M CA 1.544 56.819 55.300 -0.043 0.000 1.097 178 M CB -1.114 31.467 32.600 -0.032 0.000 1.315 178 M HN -0.109 nan 8.290 nan 0.000 0.406 179 T N 0.121 114.583 114.554 -0.154 0.000 2.635 179 T HA -0.196 4.154 4.350 0.001 0.000 0.267 179 T C 1.952 176.443 174.700 -0.347 0.000 1.040 179 T CA 2.428 64.306 62.100 -0.370 0.000 1.156 179 T CB -0.891 67.709 68.868 -0.447 0.000 0.863 179 T HN 0.717 nan 8.240 nan 0.000 0.430 180 T N 1.139 115.579 114.554 -0.191 0.000 2.708 180 T HA -0.134 4.217 4.350 0.001 0.000 0.266 180 T C 1.768 176.485 174.700 0.027 0.000 1.037 180 T CA 1.527 63.586 62.100 -0.068 0.000 1.146 180 T CB -0.549 68.296 68.868 -0.039 0.000 0.865 180 T HN 0.494 nan 8.240 nan 0.000 0.435 181 E N 1.215 121.415 120.200 0.000 0.000 2.118 181 E HA -0.177 4.174 4.350 0.001 0.000 0.195 181 E C 2.608 179.238 176.600 0.051 0.000 0.992 181 E CA 1.464 57.877 56.400 0.021 0.000 0.804 181 E CB -0.216 29.488 29.700 0.007 0.000 0.741 181 E HN 0.687 nan 8.360 nan 0.000 0.458 182 Q N -0.542 119.299 119.800 0.068 0.000 2.172 182 Q HA -0.151 4.190 4.340 0.001 0.000 0.200 182 Q C 1.846 178.016 176.000 0.282 0.000 0.964 182 Q CA 0.899 56.797 55.803 0.158 0.000 0.855 182 Q CB -0.132 28.734 28.738 0.214 0.000 0.918 182 Q HN 0.344 nan 8.270 nan 0.000 0.444 183 Y N 1.558 121.918 120.300 0.099 0.000 2.224 183 Y HA -0.241 4.310 4.550 0.001 0.000 0.289 183 Y C 2.166 178.151 175.900 0.142 0.000 1.146 183 Y CA 1.440 59.658 58.100 0.197 0.000 1.182 183 Y CB 0.125 38.582 38.460 -0.006 0.000 0.983 183 Y HN 0.038 nan 8.280 nan 0.000 0.524 184 Q N 0.026 119.833 119.800 0.012 0.000 2.049 184 Q HA -0.170 4.170 4.340 0.001 0.000 0.198 184 Q C 2.426 178.355 176.000 -0.120 0.000 0.971 184 Q CA 1.558 57.290 55.803 -0.119 0.000 0.833 184 Q CB -0.407 28.310 28.738 -0.035 0.000 0.896 184 Q HN 0.379 nan 8.270 nan 0.000 0.434 185 R N 0.395 120.882 120.500 -0.021 0.000 2.091 185 R HA -0.159 4.182 4.340 0.001 0.000 0.238 185 R C 2.024 178.301 176.300 -0.038 0.000 1.136 185 R CA 1.277 57.364 56.100 -0.021 0.000 0.959 185 R CB -0.891 29.425 30.300 0.027 0.000 0.856 185 R HN 0.182 nan 8.270 nan 0.000 0.437 186 F N 1.385 121.243 119.950 -0.153 0.000 2.065 186 F HA -0.210 4.318 4.527 0.001 0.000 0.298 186 F C 1.724 177.325 175.800 -0.332 0.000 1.112 186 F CA 1.973 59.859 58.000 -0.190 0.000 1.212 186 F CB -0.279 38.668 39.000 -0.089 0.000 0.975 186 F HN 0.008 nan 8.300 nan 0.000 0.476 187 K N -0.084 119.949 120.400 -0.612 0.000 2.009 187 K HA -0.202 4.119 4.320 0.001 0.000 0.210 187 K C 1.784 178.048 176.600 -0.560 0.000 1.049 187 K CA 1.751 57.434 56.287 -1.007 0.000 0.929 187 K CB -0.526 31.382 32.500 -0.988 0.000 0.714 187 K HN 0.251 nan 8.250 nan 0.000 0.440 188 D N 0.646 120.841 120.400 -0.342 0.000 2.158 188 D HA -0.189 4.452 4.640 0.001 0.000 0.197 188 D C 1.892 178.097 176.300 -0.158 0.000 0.995 188 D CA 1.442 55.325 54.000 -0.195 0.000 0.846 188 D CB -0.098 40.626 40.800 -0.127 0.000 0.941 188 D HN 0.257 nan 8.370 nan 0.000 0.456 189 M N -0.150 119.323 119.600 -0.211 0.000 2.098 189 M HA -0.096 4.385 4.480 0.001 0.000 0.262 189 M C 2.429 178.650 176.300 -0.131 0.000 1.072 189 M CA 0.699 55.886 55.300 -0.189 0.000 1.133 189 M CB -0.175 32.237 32.600 -0.313 0.000 1.344 189 M HN -0.139 nan 8.290 nan 0.000 0.414 190 V N 1.208 120.967 119.914 -0.259 0.000 2.332 190 V HA -0.272 3.848 4.120 0.001 0.000 0.248 190 V C 1.623 177.804 176.094 0.146 0.000 1.055 190 V CA 1.682 63.968 62.300 -0.022 0.000 1.038 190 V CB -0.914 30.881 31.823 -0.046 0.000 0.651 190 V HN 0.485 nan 8.190 nan 0.000 0.450 191 N N 0.236 118.976 118.700 0.068 0.000 2.575 191 N HA -0.069 4.671 4.740 0.001 0.000 0.192 191 N C 1.187 176.740 175.510 0.072 0.000 1.200 191 N CA 0.500 53.609 53.050 0.098 0.000 0.897 191 N CB -0.026 38.486 38.487 0.043 0.000 0.990 191 N HN 0.542 nan 8.380 nan 0.000 0.449 192 E N -0.524 119.728 120.200 0.088 0.000 2.538 192 E HA 0.325 4.675 4.350 0.001 0.000 0.207 192 E C -0.093 176.555 176.600 0.079 0.000 1.002 192 E CA -0.137 56.307 56.400 0.074 0.000 0.952 192 E CB 0.825 30.567 29.700 0.069 0.000 1.031 192 E HN 0.201 nan 8.360 nan 0.000 0.476 193 A N 0.399 123.281 122.820 0.104 0.000 2.588 193 A HA 0.499 4.819 4.320 0.001 0.000 0.290 193 A C -0.748 176.889 177.584 0.089 0.000 1.136 193 A CA -0.721 51.342 52.037 0.043 0.000 0.681 193 A CB 0.776 19.726 19.000 -0.082 0.000 1.282 193 A HN -0.008 nan 8.150 nan 0.000 0.421 194 I N 1.196 121.807 120.570 0.069 0.000 2.775 194 I HA 0.044 4.214 4.170 0.001 0.000 0.290 194 I C 0.574 176.817 176.117 0.210 0.000 1.203 194 I CA 0.704 62.073 61.300 0.115 0.000 1.433 194 I CB -0.212 37.855 38.000 0.112 0.000 1.354 194 I HN 0.534 nan 8.210 nan 0.000 0.579 195 K N 7.311 127.791 120.400 0.132 0.000 2.258 195 K HA 0.358 4.678 4.320 0.001 0.000 0.284 195 K C -2.092 174.502 176.600 -0.010 0.000 1.051 195 K CA -1.307 55.032 56.287 0.088 0.000 0.923 195 K CB 0.823 33.314 32.500 -0.015 0.000 1.046 195 K HN 0.426 nan 8.250 nan 0.000 0.474 196 P HA 0.072 nan 4.420 nan 0.000 0.278 196 P C 0.223 177.344 177.300 -0.299 0.000 1.258 196 P CA -0.376 62.456 63.100 -0.447 0.000 0.811 196 P CB 1.026 32.023 31.700 -1.172 0.000 1.063 197 E N 0.174 120.185 120.200 -0.315 0.000 2.130 197 E HA -0.180 4.171 4.350 0.001 0.000 0.196 197 E C -0.341 175.935 176.600 -0.540 0.000 0.998 197 E CA 1.209 57.352 56.400 -0.428 0.000 0.806 197 E CB -0.124 29.262 29.700 -0.523 0.000 0.738 197 E HN 0.442 nan 8.360 nan 0.000 0.459 198 Y N -0.224 120.024 120.300 -0.087 0.000 2.328 198 Y HA 0.447 4.998 4.550 0.001 0.000 0.336 198 Y C -0.333 175.640 175.900 0.122 0.000 0.960 198 Y CA -0.699 57.418 58.100 0.029 0.000 1.134 198 Y CB 1.320 39.827 38.460 0.079 0.000 1.166 198 Y HN -0.104 nan 8.280 nan 0.000 0.464 199 I N 4.947 125.702 120.570 0.309 0.000 2.439 199 I HA 0.359 4.530 4.170 0.001 0.000 0.283 199 I C -1.149 175.209 176.117 0.401 0.000 1.023 199 I CA -0.689 60.794 61.300 0.304 0.000 1.100 199 I CB 1.113 39.191 38.000 0.129 0.000 1.238 199 I HN 0.740 nan 8.210 nan 0.000 0.445 200 H N 2.860 122.115 119.070 0.308 0.000 2.865 200 H HA 0.551 5.107 4.556 0.001 0.000 0.362 200 H C -0.010 175.338 175.328 0.033 0.000 1.114 200 H CA -0.983 55.149 56.048 0.140 0.000 1.208 200 H CB 1.466 31.220 29.762 -0.013 0.000 1.727 200 H HN 0.619 nan 8.280 nan 0.000 0.534 201 c N 0.407 118.988 118.600 -0.031 0.000 4.027 201 c HA 0.357 4.927 4.570 0.001 0.000 0.351 201 c C -0.046 173.796 174.090 -0.414 0.000 1.634 201 c CA -0.284 55.787 56.329 -0.431 0.000 1.897 201 c CB -0.832 41.337 42.510 -0.567 0.000 2.949 201 c HN 0.802 nan 8.230 nan 0.000 0.684 202 Q N 3.116 122.874 119.800 -0.070 0.000 2.282 202 Q HA 0.482 4.822 4.340 0.001 0.000 0.260 202 Q C -0.392 175.616 176.000 0.013 0.000 0.964 202 Q CA -0.237 55.582 55.803 0.028 0.000 0.880 202 Q CB 1.851 30.632 28.738 0.072 0.000 1.286 202 Q HN 0.667 nan 8.270 nan 0.000 0.445 203 N N -0.085 118.654 118.700 0.064 0.000 2.514 203 N HA 0.191 4.932 4.740 0.001 0.000 0.299 203 N C 0.445 175.989 175.510 0.056 0.000 1.292 203 N CA -0.557 52.547 53.050 0.091 0.000 0.963 203 N CB -0.081 38.527 38.487 0.202 0.000 1.124 203 N HN 0.331 nan 8.380 nan 0.000 0.580 204 S N -0.285 115.447 115.700 0.053 0.000 2.359 204 S HA -0.194 4.276 4.470 0.001 0.000 0.223 204 S C 1.934 176.650 174.600 0.194 0.000 1.039 204 S CA 1.895 60.130 58.200 0.057 0.000 1.042 204 S CB -0.937 62.303 63.200 0.068 0.000 0.915 204 S HN 0.738 nan 8.310 nan 0.000 0.439 205 A N 1.573 124.508 122.820 0.191 0.000 1.851 205 A HA -0.022 4.299 4.320 0.001 0.000 0.216 205 A C 2.420 180.110 177.584 0.177 0.000 1.195 205 A CA 2.004 54.159 52.037 0.196 0.000 0.622 205 A CB -1.653 17.461 19.000 0.189 0.000 0.831 205 A HN 0.545 nan 8.150 nan 0.000 0.444 206 G N -1.025 107.879 108.800 0.174 0.000 2.442 206 G HA2 -0.170 3.791 3.960 0.001 0.000 0.219 206 G HA3 -0.170 3.791 3.960 0.001 0.000 0.219 206 G C 1.806 176.802 174.900 0.160 0.000 1.141 206 G CA 1.437 46.643 45.100 0.177 0.000 0.763 206 G HN 0.504 nan 8.290 nan 0.000 0.554 207 S N 0.276 116.079 115.700 0.172 0.000 2.383 207 S HA 0.045 4.515 4.470 0.001 0.000 0.227 207 S C 2.225 177.061 174.600 0.394 0.000 1.026 207 S CA 0.681 59.023 58.200 0.236 0.000 0.981 207 S CB -0.139 63.197 63.200 0.226 0.000 0.818 207 S HN 0.316 nan 8.310 nan 0.000 0.472 208 L N 0.416 121.820 121.223 0.303 0.000 2.240 208 L HA 0.132 4.473 4.340 0.001 0.000 0.211 208 L C 1.825 178.759 176.870 0.107 0.000 1.106 208 L CA 0.755 55.705 54.840 0.183 0.000 0.793 208 L CB -0.222 41.942 42.059 0.176 0.000 0.927 208 L HN 0.258 nan 8.230 nan 0.000 0.446 209 L N -1.555 119.733 121.223 0.108 0.000 2.470 209 L HA 0.208 4.548 4.340 0.001 0.000 0.219 209 L C 0.608 177.493 176.870 0.025 0.000 1.071 209 L CA 0.137 55.007 54.840 0.050 0.000 0.850 209 L CB 0.325 42.416 42.059 0.053 0.000 1.040 209 L HN 0.189 nan 8.230 nan 0.000 0.475 210 M N -1.778 117.848 119.600 0.044 0.000 2.727 210 M HA 0.253 4.733 4.480 0.001 0.000 0.300 210 M C -0.030 176.321 176.300 0.084 0.000 1.246 210 M CA -0.455 54.841 55.300 -0.006 0.000 0.835 210 M CB 1.921 34.450 32.600 -0.118 0.000 1.755 210 M HN -0.290 nan 8.290 nan 0.000 0.473 211 D N -0.254 120.170 120.400 0.041 0.000 2.369 211 D HA 0.141 4.782 4.640 0.001 0.000 0.231 211 D C -0.271 176.122 176.300 0.155 0.000 0.967 211 D CA 0.753 54.832 54.000 0.131 0.000 0.905 211 D CB 0.412 41.251 40.800 0.066 0.000 1.044 211 D HN 0.733 nan 8.370 nan 0.000 0.487 212 C N 1.973 121.288 119.300 0.026 0.000 3.004 212 C HA -0.133 4.327 4.460 0.001 0.000 0.267 212 C C 1.497 176.685 174.990 0.329 0.000 1.211 212 C CA -0.011 59.074 59.018 0.111 0.000 2.485 212 C CB -2.337 25.466 27.740 0.106 0.000 1.539 212 C HN 0.472 nan 8.230 nan 0.000 0.462 213 Q N -0.440 119.556 119.800 0.327 0.000 2.369 213 Q HA -0.109 4.231 4.340 0.001 0.000 0.206 213 Q C 1.832 178.016 176.000 0.307 0.000 0.963 213 Q CA 1.235 57.201 55.803 0.271 0.000 0.894 213 Q CB 0.061 28.919 28.738 0.200 0.000 0.965 213 Q HN 0.923 nan 8.270 nan 0.000 0.475 214 F N 0.949 121.072 119.950 0.288 0.000 2.113 214 F HA -0.104 4.424 4.527 0.001 0.000 0.297 214 F C 0.817 176.755 175.800 0.230 0.000 1.103 214 F CA 0.338 58.465 58.000 0.212 0.000 1.248 214 F CB 0.171 39.265 39.000 0.155 0.000 0.999 214 F HN -0.086 nan 8.300 nan 0.000 0.475 215 c N 3.350 122.262 118.600 0.520 0.000 2.624 215 c HA 0.081 4.652 4.570 0.001 0.000 0.397 215 c C 1.337 175.552 174.090 0.209 0.000 1.331 215 c CA -0.242 56.327 56.329 0.400 0.000 1.716 215 c CB -1.202 41.592 42.510 0.474 0.000 2.452 215 c HN 0.592 nan 8.230 nan 0.000 0.586 216 N N 1.542 120.319 118.700 0.128 0.000 2.322 216 N HA 0.212 4.953 4.740 0.001 0.000 0.194 216 N C -0.184 175.389 175.510 0.105 0.000 1.126 216 N CA 0.203 53.304 53.050 0.085 0.000 0.845 216 N CB 0.235 38.732 38.487 0.018 0.000 0.976 216 N HN 0.728 nan 8.380 nan 0.000 0.475 217 A N 0.312 123.207 122.820 0.125 0.000 2.572 217 A HA 0.717 5.038 4.320 0.001 0.000 0.295 217 A C -0.824 176.753 177.584 -0.011 0.000 1.072 217 A CA -0.994 51.061 52.037 0.031 0.000 0.691 217 A CB 1.150 20.128 19.000 -0.036 0.000 1.291 217 A HN 0.337 nan 8.150 nan 0.000 0.404 218 I N -1.959 118.535 120.570 -0.126 0.000 2.892 218 I HA 0.772 4.943 4.170 0.001 0.000 0.306 218 I C -0.383 175.607 176.117 -0.211 0.000 1.078 218 I CA -1.056 60.147 61.300 -0.162 0.000 1.032 218 I CB 2.345 40.193 38.000 -0.254 0.000 1.229 218 I HN 0.577 nan 8.210 nan 0.000 0.435 219 R N 2.821 123.216 120.500 -0.175 0.000 2.748 219 R HA 0.380 4.721 4.340 0.001 0.000 0.283 219 R C -2.665 173.532 176.300 -0.171 0.000 1.507 219 R CA -1.519 54.476 56.100 -0.175 0.000 1.666 219 R CB 0.686 30.916 30.300 -0.116 0.000 1.237 219 R HN 0.472 nan 8.270 nan 0.000 0.633 220 P HA 0.102 nan 4.420 nan 0.000 0.275 220 P C -0.086 177.039 177.300 -0.291 0.000 1.227 220 P CA 0.211 63.021 63.100 -0.484 0.000 0.781 220 P CB 1.930 32.911 31.700 -1.197 0.000 0.906 221 G N 1.696 110.385 108.800 -0.185 0.000 2.449 221 G HA2 0.015 3.976 3.960 0.001 0.000 0.192 221 G HA3 0.015 3.976 3.960 0.001 0.000 0.192 221 G C 0.978 175.652 174.900 -0.378 0.000 1.776 221 G CA 0.015 45.081 45.100 -0.057 0.000 0.699 221 G HN 0.419 nan 8.290 nan 0.000 0.745 222 I N 1.921 122.246 120.570 -0.409 0.000 2.248 222 I HA -0.138 4.033 4.170 0.001 0.000 0.248 222 I C 2.535 178.527 176.117 -0.207 0.000 1.107 222 I CA 1.966 62.989 61.300 -0.462 0.000 1.373 222 I CB -0.132 37.569 38.000 -0.498 0.000 1.055 222 I HN 0.138 nan 8.210 nan 0.000 0.418 223 S N 0.082 115.658 115.700 -0.207 0.000 2.453 223 S HA 0.007 4.478 4.470 0.001 0.000 0.231 223 S C 1.923 176.421 174.600 -0.170 0.000 1.005 223 S CA 0.694 58.810 58.200 -0.139 0.000 0.949 223 S CB -0.370 62.884 63.200 0.090 0.000 0.774 223 S HN 0.464 nan 8.310 nan 0.000 0.510 224 L N -0.032 120.930 121.223 -0.434 0.000 2.187 224 L HA -0.140 4.201 4.340 0.001 0.000 0.213 224 L C 1.311 177.847 176.870 -0.558 0.000 1.100 224 L CA 1.281 55.799 54.840 -0.537 0.000 0.765 224 L CB -0.459 41.054 42.059 -0.909 0.000 0.904 224 L HN 0.418 nan 8.230 nan 0.000 0.437 225 Y N -0.809 119.426 120.300 -0.110 0.000 2.457 225 Y HA 0.310 4.861 4.550 0.001 0.000 0.263 225 Y C 1.644 177.309 175.900 -0.391 0.000 1.164 225 Y CA 0.203 58.243 58.100 -0.101 0.000 1.274 225 Y CB 0.059 38.540 38.460 0.035 0.000 1.097 225 Y HN 0.182 nan 8.280 nan 0.000 0.523 226 G N -0.831 107.724 108.800 -0.408 0.000 2.134 226 G HA2 -0.261 3.700 3.960 0.001 0.000 0.209 226 G HA3 -0.261 3.700 3.960 0.001 0.000 0.209 226 G C -0.638 173.693 174.900 -0.949 0.000 0.993 226 G CA -0.538 44.155 45.100 -0.679 0.000 0.669 226 G HN 0.291 nan 8.290 nan 0.000 0.519 227 Y N -0.600 119.559 120.300 -0.236 0.000 2.393 227 Y HA 0.680 5.231 4.550 0.001 0.000 0.341 227 Y C 0.404 176.147 175.900 -0.261 0.000 0.988 227 Y CA -1.680 56.294 58.100 -0.210 0.000 1.078 227 Y CB 1.015 39.381 38.460 -0.156 0.000 1.203 227 Y HN 0.151 nan 8.280 nan 0.000 0.453 228 Y N 3.973 124.320 120.300 0.078 0.000 2.346 228 Y HA 0.156 4.707 4.550 0.001 0.000 0.330 228 Y C -1.262 174.680 175.900 0.070 0.000 1.178 228 Y CA -1.785 56.350 58.100 0.059 0.000 1.331 228 Y CB 0.539 39.024 38.460 0.042 0.000 1.253 228 Y HN 0.463 nan 8.280 nan 0.000 0.529 229 P HA -0.067 nan 4.420 nan 0.000 0.223 229 P C -0.370 177.103 177.300 0.288 0.000 1.151 229 P CA 1.047 64.297 63.100 0.249 0.000 0.787 229 P CB 0.439 32.321 31.700 0.303 0.000 0.788 230 S N -2.462 113.397 115.700 0.265 0.000 2.611 230 S HA 0.316 4.787 4.470 0.001 0.000 0.268 230 S C 0.657 175.364 174.600 0.178 0.000 1.156 230 S CA -0.616 57.721 58.200 0.227 0.000 0.817 230 S CB 1.744 65.085 63.200 0.236 0.000 1.122 230 S HN -0.200 nan 8.310 nan 0.000 0.466 231 E N 0.477 120.762 120.200 0.142 0.000 2.107 231 E HA -0.080 4.271 4.350 0.001 0.000 0.191 231 E C 1.614 178.249 176.600 0.058 0.000 0.982 231 E CA 1.666 58.109 56.400 0.071 0.000 0.809 231 E CB -0.488 29.256 29.700 0.073 0.000 0.756 231 E HN 0.714 nan 8.360 nan 0.000 0.459 232 Y N -0.148 120.161 120.300 0.016 0.000 2.224 232 Y HA -0.148 4.403 4.550 0.001 0.000 0.289 232 Y C 1.860 177.761 175.900 0.002 0.000 1.146 232 Y CA 1.627 59.731 58.100 0.006 0.000 1.182 232 Y CB -0.229 38.243 38.460 0.021 0.000 0.983 232 Y HN -0.030 nan 8.280 nan 0.000 0.524 233 V N 0.882 120.759 119.914 -0.062 0.000 2.379 233 V HA -0.244 3.876 4.120 0.001 0.000 0.245 233 V C 2.494 178.478 176.094 -0.183 0.000 1.044 233 V CA 2.066 64.294 62.300 -0.120 0.000 1.036 233 V CB -0.637 31.268 31.823 0.136 0.000 0.664 233 V HN 0.436 nan 8.190 nan 0.000 0.453 234 Q N -0.033 119.627 119.800 -0.234 0.000 2.084 234 Q HA -0.220 4.121 4.340 0.001 0.000 0.202 234 Q C 2.084 177.836 176.000 -0.413 0.000 0.978 234 Q CA 1.542 56.974 55.803 -0.619 0.000 0.844 234 Q CB -0.150 28.183 28.738 -0.675 0.000 0.898 234 Q HN 0.558 nan 8.270 nan 0.000 0.426 235 Q N -0.126 119.507 119.800 -0.278 0.000 2.444 235 Q HA -0.036 4.305 4.340 0.001 0.000 0.206 235 Q C 1.104 176.967 176.000 -0.230 0.000 0.948 235 Q CA 0.653 56.329 55.803 -0.211 0.000 0.946 235 Q CB 0.415 29.072 28.738 -0.134 0.000 1.027 235 Q HN 0.108 nan 8.270 nan 0.000 0.513 236 K N -0.073 120.148 120.400 -0.297 0.000 2.435 236 K HA 0.053 4.374 4.320 0.001 0.000 0.199 236 K C 0.284 176.778 176.600 -0.176 0.000 1.153 236 K CA 0.118 56.239 56.287 -0.278 0.000 0.974 236 K CB 0.813 33.026 32.500 -0.478 0.000 0.997 236 K HN 0.018 nan 8.250 nan 0.000 0.547 237 V N -0.722 119.102 119.914 -0.150 0.000 2.630 237 V HA 0.512 4.633 4.120 0.001 0.000 0.305 237 V C 0.726 176.785 176.094 -0.057 0.000 1.046 237 V CA -0.791 61.463 62.300 -0.077 0.000 0.934 237 V CB 2.009 33.824 31.823 -0.013 0.000 1.003 237 V HN -0.101 nan 8.190 nan 0.000 0.451 238 K N 1.703 122.080 120.400 -0.038 0.000 2.076 238 K HA 0.182 4.503 4.320 0.001 0.000 0.204 238 K C 0.767 177.380 176.600 0.021 0.000 1.051 238 K CA 0.720 56.995 56.287 -0.020 0.000 0.949 238 K CB -0.058 32.423 32.500 -0.031 0.000 0.726 238 K HN 0.618 nan 8.250 nan 0.000 0.443 239 V N 3.013 122.929 119.914 0.003 0.000 2.814 239 V HA -0.209 3.912 4.120 0.001 0.000 0.298 239 V C 0.226 176.386 176.094 0.110 0.000 1.195 239 V CA 0.750 63.049 62.300 -0.002 0.000 1.323 239 V CB -0.715 31.047 31.823 -0.102 0.000 0.842 239 V HN 0.316 nan 8.190 nan 0.000 0.494 240 H N 5.833 124.901 119.070 -0.003 0.000 2.488 240 H HA 0.609 5.165 4.556 0.001 0.000 0.322 240 H C -0.545 174.759 175.328 -0.039 0.000 1.078 240 H CA -0.656 55.419 56.048 0.045 0.000 1.260 240 H CB 0.887 30.659 29.762 0.017 0.000 1.425 240 H HN 0.576 nan 8.280 nan 0.000 0.471 241 L N 5.207 126.071 121.223 -0.599 0.000 2.317 241 L HA 0.416 4.757 4.340 0.001 0.000 0.281 241 L C -0.202 176.292 176.870 -0.626 0.000 1.024 241 L CA -0.849 53.645 54.840 -0.578 0.000 0.810 241 L CB 1.600 43.202 42.059 -0.762 0.000 1.240 241 L HN 0.603 nan 8.230 nan 0.000 0.427 242 K N 3.867 124.047 120.400 -0.365 0.000 2.292 242 K HA 0.352 4.673 4.320 0.001 0.000 0.270 242 K C -2.461 173.954 176.600 -0.309 0.000 1.062 242 K CA -1.808 54.336 56.287 -0.238 0.000 0.916 242 K CB 1.033 33.487 32.500 -0.077 0.000 1.166 242 K HN 0.188 nan 8.250 nan 0.000 0.458 243 P HA -0.088 nan 4.420 nan 0.000 0.264 243 P C 0.224 177.368 177.300 -0.259 0.000 1.183 243 P CA 0.239 63.036 63.100 -0.505 0.000 0.763 243 P CB 0.724 32.254 31.700 -0.284 0.000 0.807 244 S N 0.938 116.532 115.700 -0.177 0.000 2.539 244 S HA 0.213 4.683 4.470 0.001 0.000 0.221 244 S C 0.331 174.949 174.600 0.030 0.000 0.987 244 S CA -0.150 58.032 58.200 -0.029 0.000 0.929 244 S CB -0.096 63.137 63.200 0.055 0.000 0.832 244 S HN 0.180 nan 8.310 nan 0.000 0.492 245 V N 1.721 121.691 119.914 0.095 0.000 2.604 245 V HA 0.516 4.636 4.120 0.001 0.000 0.305 245 V C -0.790 175.312 176.094 0.013 0.000 1.043 245 V CA -0.588 61.749 62.300 0.062 0.000 0.888 245 V CB 1.870 33.754 31.823 0.101 0.000 0.995 245 V HN 0.382 nan 8.190 nan 0.000 0.429 246 Q N 2.734 122.514 119.800 -0.034 0.000 2.375 246 Q HA 0.648 4.989 4.340 0.001 0.000 0.271 246 Q C -1.634 174.319 176.000 -0.079 0.000 1.074 246 Q CA -0.911 54.859 55.803 -0.054 0.000 0.808 246 Q CB 3.085 31.778 28.738 -0.076 0.000 1.327 246 Q HN 0.549 nan 8.270 nan 0.000 0.441 247 L N 3.683 124.847 121.223 -0.098 0.000 2.325 247 L HA 0.586 4.926 4.340 0.001 0.000 0.281 247 L C -1.541 175.184 176.870 -0.242 0.000 1.004 247 L CA -0.136 54.612 54.840 -0.154 0.000 0.823 247 L CB 1.053 43.057 42.059 -0.092 0.000 1.236 247 L HN 0.558 nan 8.230 nan 0.000 0.415 248 I N 4.232 124.545 120.570 -0.430 0.000 2.646 248 I HA 0.868 5.039 4.170 0.001 0.000 0.299 248 I C -0.378 175.418 176.117 -0.535 0.000 1.036 248 I CA -0.845 60.142 61.300 -0.523 0.000 1.074 248 I CB 2.048 39.581 38.000 -0.778 0.000 1.258 248 I HN 0.761 nan 8.210 nan 0.000 0.430 249 A N 4.086 126.709 122.820 -0.328 0.000 2.539 249 A HA 0.760 5.081 4.320 0.001 0.000 0.296 249 A C -1.435 176.085 177.584 -0.108 0.000 1.073 249 A CA -0.741 51.175 52.037 -0.203 0.000 0.700 249 A CB 1.717 20.613 19.000 -0.174 0.000 1.296 249 A HN 0.666 nan 8.150 nan 0.000 0.405 250 N N -0.132 118.551 118.700 -0.029 0.000 2.417 250 N HA 0.498 5.239 4.740 0.001 0.000 0.300 250 N C -0.590 174.917 175.510 -0.005 0.000 1.102 250 N CA -0.508 52.545 53.050 0.004 0.000 0.886 250 N CB 1.780 40.298 38.487 0.051 0.000 1.203 250 N HN 0.346 nan 8.380 nan 0.000 0.496 251 V N 1.805 121.717 119.914 -0.004 0.000 2.521 251 V HA -0.002 4.119 4.120 0.001 0.000 0.286 251 V C 1.721 177.815 176.094 -0.000 0.000 1.034 251 V CA -0.134 62.161 62.300 -0.008 0.000 1.045 251 V CB 0.774 32.594 31.823 -0.006 0.000 0.974 251 V HN 0.616 nan 8.190 nan 0.000 0.480 252 V N 1.734 121.646 119.914 -0.003 0.000 2.725 252 V HA 0.206 4.327 4.120 0.001 0.000 0.247 252 V C 0.517 176.611 176.094 -0.000 0.000 1.058 252 V CA 0.834 63.135 62.300 0.002 0.000 1.080 252 V CB -0.260 31.565 31.823 0.002 0.000 0.713 252 V HN 0.863 nan 8.190 nan 0.000 0.465 253 Q N 0.020 119.817 119.800 -0.004 0.000 2.522 253 Q HA 0.523 4.863 4.340 0.001 0.000 0.285 253 Q C -1.268 174.728 176.000 -0.006 0.000 0.982 253 Q CA -0.034 55.766 55.803 -0.004 0.000 0.805 253 Q CB 2.510 31.246 28.738 -0.004 0.000 1.457 253 Q HN 0.585 nan 8.270 nan 0.000 0.394 254 T N -0.396 114.154 114.554 -0.006 0.000 2.924 254 T HA 0.845 5.196 4.350 0.001 0.000 0.291 254 T C -1.049 173.646 174.700 -0.007 0.000 1.045 254 T CA -0.757 61.338 62.100 -0.008 0.000 1.015 254 T CB 2.078 70.940 68.868 -0.010 0.000 1.103 254 T HN 0.480 nan 8.240 nan 0.000 0.496 255 K N 1.088 121.483 120.400 -0.008 0.000 2.542 255 K HA 0.578 4.899 4.320 0.001 0.000 0.259 255 K C -0.965 175.631 176.600 -0.007 0.000 0.932 255 K CA -0.368 55.915 56.287 -0.006 0.000 0.820 255 K CB 1.995 34.492 32.500 -0.005 0.000 1.345 255 K HN 1.004 nan 8.250 nan 0.000 0.432 256 T N 1.761 116.312 114.554 -0.006 0.000 2.795 256 T HA 0.636 4.986 4.350 0.001 0.000 0.282 256 T C 0.094 174.792 174.700 -0.004 0.000 0.980 256 T CA -0.857 61.239 62.100 -0.006 0.000 1.012 256 T CB 0.508 69.372 68.868 -0.006 0.000 0.936 256 T HN 0.371 nan 8.240 nan 0.000 0.457 257 L N 1.738 122.959 121.223 -0.004 0.000 2.331 257 L HA 0.574 4.914 4.340 0.001 0.000 0.268 257 L C 0.458 177.327 176.870 -0.001 0.000 1.015 257 L CA -1.166 53.673 54.840 -0.002 0.000 0.807 257 L CB 1.691 43.749 42.059 -0.002 0.000 1.293 257 L HN 0.668 nan 8.230 nan 0.000 0.451 258 Q N 0.161 119.961 119.800 -0.000 0.000 2.445 258 Q HA 0.711 5.052 4.340 0.001 0.000 0.281 258 Q C -0.375 175.626 176.000 0.002 0.000 1.101 258 Q CA -0.622 55.181 55.803 0.001 0.000 0.833 258 Q CB 2.209 30.947 28.738 0.001 0.000 1.416 258 Q HN 0.753 nan 8.270 nan 0.000 0.451 274 P HA 0.285 nan 4.420 nan 0.000 0.268 274 P C -0.429 176.872 177.300 0.002 0.000 1.205 274 P CA 0.154 63.255 63.100 0.002 0.000 0.771 274 P CB 0.877 32.578 31.700 0.002 0.000 0.858 275 T N 0.405 114.958 114.554 -0.000 0.000 2.762 275 T HA 0.495 4.846 4.350 0.001 0.000 0.301 275 T C -1.214 173.482 174.700 -0.006 0.000 1.299 275 T CA -0.443 61.655 62.100 -0.003 0.000 1.005 275 T CB 0.980 69.848 68.868 0.000 0.000 1.377 275 T HN 0.195 nan 8.240 nan 0.000 0.504 276 T N 2.754 117.302 114.554 -0.010 0.000 2.794 276 T HA 0.654 5.005 4.350 0.001 0.000 0.280 276 T C -0.098 174.594 174.700 -0.013 0.000 0.987 276 T CA -0.581 61.511 62.100 -0.013 0.000 0.993 276 T CB 0.292 69.149 68.868 -0.019 0.000 0.939 276 T HN 0.640 nan 8.240 nan 0.000 0.449 277 I N 0.150 120.713 120.570 -0.011 0.000 2.648 277 I HA 0.943 5.114 4.170 0.001 0.000 0.304 277 I C -0.546 175.563 176.117 -0.013 0.000 1.009 277 I CA -1.351 59.941 61.300 -0.012 0.000 1.114 277 I CB 1.688 39.682 38.000 -0.010 0.000 1.293 277 I HN 0.624 nan 8.210 nan 0.000 0.449 278 A N 6.034 128.846 122.820 -0.014 0.000 2.342 278 A HA 0.777 5.098 4.320 0.001 0.000 0.323 278 A C -1.078 176.496 177.584 -0.017 0.000 1.125 278 A CA -0.565 51.463 52.037 -0.015 0.000 0.785 278 A CB 1.277 20.267 19.000 -0.016 0.000 1.221 278 A HN 0.622 nan 8.150 nan 0.000 0.463 279 L N 2.676 123.890 121.223 -0.015 0.000 2.272 279 L HA 0.525 4.866 4.340 0.001 0.000 0.289 279 L C -0.303 176.553 176.870 -0.023 0.000 1.032 279 L CA 0.243 55.073 54.840 -0.017 0.000 0.810 279 L CB 1.039 43.091 42.059 -0.011 0.000 1.205 279 L HN 0.584 nan 8.230 nan 0.000 0.422 280 L N 5.160 126.363 121.223 -0.034 0.000 2.325 280 L HA 0.555 4.896 4.340 0.001 0.000 0.278 280 L C -1.987 174.856 176.870 -0.046 0.000 1.023 280 L CA -1.588 53.221 54.840 -0.050 0.000 0.811 280 L CB 1.923 43.929 42.059 -0.088 0.000 1.249 280 L HN 0.413 nan 8.230 nan 0.000 0.431 281 P HA 0.315 nan 4.420 nan 0.000 0.214 281 P C -0.686 176.589 177.300 -0.042 0.000 1.849 281 P CA 0.180 63.264 63.100 -0.027 0.000 1.022 281 P CB 0.495 32.194 31.700 -0.001 0.000 1.912 282 I N 0.004 120.536 120.570 -0.063 0.000 2.842 282 I HA 0.725 4.896 4.170 0.001 0.000 0.297 282 I C -1.019 175.071 176.117 -0.045 0.000 1.380 282 I CA -0.596 60.661 61.300 -0.071 0.000 1.018 282 I CB 2.379 40.298 38.000 -0.134 0.000 1.311 282 I HN 0.265 nan 8.210 nan 0.000 0.439 283 G N 3.532 112.322 108.800 -0.018 0.000 2.706 283 G HA2 0.191 4.152 3.960 0.001 0.000 0.307 283 G HA3 0.191 4.152 3.960 0.001 0.000 0.307 283 G C -0.408 174.527 174.900 0.059 0.000 1.307 283 G CA 0.018 45.126 45.100 0.014 0.000 0.790 283 G HN 0.739 nan 8.290 nan 0.000 0.503 284 Y N -1.066 119.282 120.300 0.081 0.000 2.403 284 Y HA 0.244 4.794 4.550 0.001 0.000 0.291 284 Y C 2.508 178.431 175.900 0.040 0.000 1.143 284 Y CA 1.506 59.638 58.100 0.054 0.000 1.257 284 Y CB -0.554 37.921 38.460 0.024 0.000 0.984 284 Y HN 0.385 nan 8.280 nan 0.000 0.550 285 A N 0.566 123.296 122.820 -0.149 0.000 2.172 285 A HA -0.116 4.204 4.320 0.001 0.000 0.216 285 A C 1.560 179.149 177.584 0.009 0.000 1.154 285 A CA 1.494 53.504 52.037 -0.045 0.000 0.701 285 A CB -0.511 18.416 19.000 -0.123 0.000 0.789 285 A HN 0.585 nan 8.150 nan 0.000 0.465 286 D N -1.741 118.671 120.400 0.020 0.000 2.367 286 D HA 0.234 4.875 4.640 0.001 0.000 0.207 286 D C 1.333 177.674 176.300 0.068 0.000 1.034 286 D CA 1.073 55.094 54.000 0.034 0.000 0.861 286 D CB 0.511 41.323 40.800 0.019 0.000 0.943 286 D HN 0.565 nan 8.370 nan 0.000 0.515 287 G N 1.092 109.955 108.800 0.105 0.000 2.184 287 G HA2 -0.274 3.687 3.960 0.001 0.000 0.206 287 G HA3 -0.274 3.687 3.960 0.001 0.000 0.206 287 G C -0.069 174.911 174.900 0.132 0.000 0.995 287 G CA -0.437 44.723 45.100 0.100 0.000 0.651 287 G HN 0.335 nan 8.290 nan 0.000 0.511 288 Y N 3.283 123.605 120.300 0.038 0.000 2.636 288 Y HA 0.621 5.172 4.550 0.001 0.000 0.341 288 Y C 1.183 177.131 175.900 0.081 0.000 1.169 288 Y CA -0.913 57.207 58.100 0.033 0.000 1.498 288 Y CB -0.279 38.187 38.460 0.009 0.000 1.362 288 Y HN 0.231 nan 8.280 nan 0.000 0.494 289 L N 4.835 125.998 121.223 -0.100 0.000 2.492 289 L HA 0.036 4.376 4.340 0.001 0.000 0.280 289 L C 1.669 178.490 176.870 -0.080 0.000 1.240 289 L CA 0.057 54.868 54.840 -0.049 0.000 0.831 289 L CB 0.446 42.452 42.059 -0.088 0.000 1.100 289 L HN 0.597 nan 8.230 nan 0.000 0.505 290 R N 1.046 121.507 120.500 -0.065 0.000 2.127 290 R HA -0.153 4.187 4.340 0.001 0.000 0.238 290 R C 1.897 178.150 176.300 -0.078 0.000 1.134 290 R CA 1.245 57.306 56.100 -0.065 0.000 0.975 290 R CB -0.255 29.946 30.300 -0.165 0.000 0.865 290 R HN 0.624 nan 8.270 nan 0.000 0.447 291 I N 0.733 121.241 120.570 -0.102 0.000 3.176 291 I HA -0.165 4.005 4.170 0.001 0.000 0.275 291 I C 1.181 177.219 176.117 -0.132 0.000 1.298 291 I CA 0.530 61.776 61.300 -0.091 0.000 1.445 291 I CB 0.186 38.145 38.000 -0.068 0.000 1.075 291 I HN 0.175 nan 8.210 nan 0.000 0.482 292 M N -0.050 119.428 119.600 -0.202 0.000 2.557 292 M HA -0.070 4.411 4.480 0.001 0.000 0.259 292 M C 1.058 177.286 176.300 -0.120 0.000 1.086 292 M CA 0.721 55.862 55.300 -0.265 0.000 1.096 292 M CB -1.309 30.882 32.600 -0.681 0.000 1.424 292 M HN 0.318 nan 8.290 nan 0.000 0.488 293 Q N 0.492 120.248 119.800 -0.072 0.000 2.283 293 Q HA 0.211 4.552 4.340 0.001 0.000 0.301 293 Q C 0.930 176.887 176.000 -0.072 0.000 1.063 293 Q CA 1.215 56.990 55.803 -0.048 0.000 0.952 293 Q CB 0.278 28.998 28.738 -0.029 0.000 1.166 293 Q HN 0.662 nan 8.270 nan 0.000 0.381 294 G N 2.473 111.207 108.800 -0.110 0.000 2.213 294 G HA2 -0.220 3.741 3.960 0.001 0.000 0.226 294 G HA3 -0.220 3.741 3.960 0.001 0.000 0.226 294 G C 0.228 175.015 174.900 -0.188 0.000 0.992 294 G CA 0.094 45.115 45.100 -0.132 0.000 0.632 294 G HN 0.641 nan 8.290 nan 0.000 0.511 295 S N -0.510 115.094 115.700 -0.159 0.000 2.641 295 S HA 0.801 5.271 4.470 0.001 0.000 0.261 295 S C -0.342 174.064 174.600 -0.325 0.000 1.257 295 S CA 0.094 58.246 58.200 -0.079 0.000 0.983 295 S CB 0.443 63.657 63.200 0.023 0.000 0.990 295 S HN 0.312 nan 8.310 nan 0.000 0.572 296 F N 0.121 120.108 119.950 0.061 0.000 2.563 296 F HA 0.613 5.140 4.527 0.001 0.000 0.316 296 F C 0.012 175.853 175.800 0.069 0.000 1.076 296 F CA -0.731 57.305 58.000 0.059 0.000 0.921 296 F CB 1.699 40.726 39.000 0.044 0.000 1.209 296 F HN 0.337 nan 8.300 nan 0.000 0.462 297 V N -0.421 119.624 119.914 0.218 0.000 3.102 297 V HA 0.646 4.767 4.120 0.001 0.000 0.312 297 V C -1.272 174.901 176.094 0.132 0.000 1.135 297 V CA -0.871 61.508 62.300 0.133 0.000 1.022 297 V CB 2.000 33.852 31.823 0.048 0.000 1.056 297 V HN 0.721 nan 8.190 nan 0.000 0.436 298 N N 1.315 120.067 118.700 0.087 0.000 2.501 298 N HA 0.466 5.207 4.740 0.001 0.000 0.245 298 N C -1.131 174.419 175.510 0.067 0.000 0.974 298 N CA -0.214 52.886 53.050 0.083 0.000 0.941 298 N CB 1.271 39.796 38.487 0.064 0.000 1.122 298 N HN 0.675 nan 8.380 nan 0.000 0.507 299 V N 4.129 124.101 119.914 0.097 0.000 2.311 299 V HA 0.236 4.357 4.120 0.001 0.000 0.275 299 V C -0.053 176.131 176.094 0.151 0.000 1.022 299 V CA -0.915 61.440 62.300 0.091 0.000 0.830 299 V CB 0.341 32.210 31.823 0.076 0.000 1.012 299 V HN 0.714 nan 8.190 nan 0.000 0.452 300 N N 4.433 123.200 118.700 0.111 0.000 2.686 300 N HA -0.219 4.522 4.740 0.001 0.000 0.261 300 N C 1.272 176.824 175.510 0.070 0.000 1.001 300 N CA 1.451 54.571 53.050 0.117 0.000 0.764 300 N CB -1.025 37.559 38.487 0.162 0.000 0.898 300 N HN 1.372 nan 8.380 nan 0.000 0.544 301 G N -1.870 106.934 108.800 0.008 0.000 2.189 301 G HA2 -0.376 3.584 3.960 0.001 0.000 0.267 301 G HA3 -0.376 3.584 3.960 0.001 0.000 0.267 301 G C -0.116 174.682 174.900 -0.169 0.000 0.975 301 G CA 0.770 45.812 45.100 -0.096 0.000 0.644 301 G HN 0.757 nan 8.290 nan 0.000 0.537 302 H N 0.750 119.838 119.070 0.031 0.000 2.517 302 H HA 0.528 5.085 4.556 0.001 0.000 0.317 302 H C 0.270 175.637 175.328 0.066 0.000 1.080 302 H CA -0.470 55.602 56.048 0.040 0.000 1.301 302 H CB 0.910 30.696 29.762 0.040 0.000 1.425 302 H HN 0.117 nan 8.280 nan 0.000 0.471 303 Q N 2.613 122.517 119.800 0.173 0.000 2.293 303 Q HA 0.216 4.557 4.340 0.001 0.000 0.263 303 Q C -0.610 175.589 176.000 0.330 0.000 1.002 303 Q CA -0.001 55.924 55.803 0.202 0.000 0.910 303 Q CB 0.944 29.712 28.738 0.050 0.000 1.185 303 Q HN 0.618 nan 8.270 nan 0.000 0.401 304 C N 2.152 121.666 119.300 0.357 0.000 2.563 304 C HA 0.394 4.855 4.460 0.001 0.000 0.314 304 C C 0.482 175.526 174.990 0.090 0.000 1.199 304 C CA -0.903 58.263 59.018 0.245 0.000 1.564 304 C CB 1.648 29.457 27.740 0.115 0.000 2.173 304 C HN 0.795 nan 8.230 nan 0.000 0.485 305 E N 1.102 121.202 120.200 -0.167 0.000 2.331 305 E HA 0.438 4.788 4.350 0.001 0.000 0.272 305 E C -0.975 175.441 176.600 -0.306 0.000 1.036 305 E CA -0.277 55.730 56.400 -0.655 0.000 0.864 305 E CB 0.930 30.257 29.700 -0.621 0.000 1.035 305 E HN 0.529 nan 8.360 nan 0.000 0.408 306 V N 6.631 126.369 119.914 -0.294 0.000 2.408 306 V HA 0.205 4.326 4.120 0.001 0.000 0.267 306 V C 0.346 176.374 176.094 -0.110 0.000 1.047 306 V CA -0.083 62.147 62.300 -0.116 0.000 0.937 306 V CB -0.172 31.640 31.823 -0.018 0.000 0.999 306 V HN 0.486 nan 8.190 nan 0.000 0.472 307 I N 2.269 122.798 120.570 -0.068 0.000 2.910 307 I HA 1.043 5.213 4.170 0.001 0.000 0.310 307 I C 0.617 176.723 176.117 -0.019 0.000 1.043 307 I CA -0.506 60.764 61.300 -0.050 0.000 1.053 307 I CB 1.794 39.768 38.000 -0.044 0.000 1.242 307 I HN 0.814 nan 8.210 nan 0.000 0.452 308 G N 3.049 111.841 108.800 -0.013 0.000 2.752 308 G HA2 -0.209 3.752 3.960 0.001 0.000 0.234 308 G HA3 -0.209 3.752 3.960 0.001 0.000 0.234 308 G C -0.277 174.630 174.900 0.011 0.000 1.367 308 G CA -0.048 45.052 45.100 0.001 0.000 0.879 308 G HN 1.211 nan 8.290 nan 0.000 0.563 309 R N -0.956 119.558 120.500 0.023 0.000 2.438 309 R HA 0.511 4.852 4.340 0.001 0.000 0.287 309 R C -0.034 176.307 176.300 0.069 0.000 1.077 309 R CA -0.753 55.371 56.100 0.040 0.000 1.034 309 R CB 0.965 31.291 30.300 0.044 0.000 0.993 309 R HN 0.436 nan 8.270 nan 0.000 0.459 310 V N 4.145 124.117 119.914 0.097 0.000 2.508 310 V HA 0.029 4.150 4.120 0.001 0.000 0.281 310 V C 0.568 176.806 176.094 0.240 0.000 1.041 310 V CA -0.354 62.040 62.300 0.156 0.000 1.016 310 V CB 0.624 32.560 31.823 0.190 0.000 0.984 310 V HN 0.863 nan 8.190 nan 0.000 0.478 311 C N 4.717 124.114 119.300 0.161 0.000 2.365 311 C HA 0.259 4.719 4.460 0.001 0.000 0.374 311 C C 2.053 176.914 174.990 -0.216 0.000 1.318 311 C CA -0.446 58.641 59.018 0.115 0.000 2.239 311 C CB 1.088 28.844 27.740 0.026 0.000 2.144 311 C HN 1.011 nan 8.230 nan 0.000 0.581 312 M N 0.916 120.180 119.600 -0.561 0.000 2.117 312 M HA -0.141 4.339 4.480 0.001 0.000 0.262 312 M C 0.778 176.788 176.300 -0.484 0.000 1.065 312 M CA 2.020 56.683 55.300 -1.062 0.000 1.114 312 M CB -0.126 32.114 32.600 -0.600 0.000 1.361 312 M HN 0.701 nan 8.290 nan 0.000 0.408 313 D N -1.091 119.162 120.400 -0.244 0.000 2.479 313 D HA 0.159 4.799 4.640 0.001 0.000 0.216 313 D C -0.008 176.246 176.300 -0.077 0.000 1.110 313 D CA 0.228 54.149 54.000 -0.131 0.000 0.841 313 D CB 0.554 41.300 40.800 -0.090 0.000 1.040 313 D HN 0.448 nan 8.370 nan 0.000 0.505 314 Q N -0.056 119.707 119.800 -0.060 0.000 2.421 314 Q HA 0.572 4.913 4.340 0.001 0.000 0.280 314 Q C -0.995 175.006 176.000 0.003 0.000 1.085 314 Q CA -0.540 55.247 55.803 -0.028 0.000 0.807 314 Q CB 2.827 31.554 28.738 -0.018 0.000 1.405 314 Q HN -0.200 nan 8.270 nan 0.000 0.419 315 T N 1.311 115.865 114.554 -0.001 0.000 2.886 315 T HA 0.592 4.943 4.350 0.001 0.000 0.292 315 T C -0.644 174.056 174.700 -0.000 0.000 1.012 315 T CA -0.500 61.614 62.100 0.022 0.000 0.982 315 T CB 0.869 69.743 68.868 0.010 0.000 1.018 315 T HN 0.344 nan 8.240 nan 0.000 0.451 316 I N 3.020 123.595 120.570 0.008 0.000 2.404 316 I HA 0.607 4.778 4.170 0.001 0.000 0.293 316 I C -0.259 175.849 176.117 -0.015 0.000 0.992 316 I CA -1.232 60.064 61.300 -0.006 0.000 1.149 316 I CB 1.818 39.816 38.000 -0.003 0.000 1.315 316 I HN 0.390 nan 8.210 nan 0.000 0.446 317 V N 2.898 122.799 119.914 -0.023 0.000 2.604 317 V HA 0.500 4.621 4.120 0.001 0.000 0.305 317 V C -0.366 175.713 176.094 -0.025 0.000 1.043 317 V CA -0.980 61.302 62.300 -0.031 0.000 0.888 317 V CB 1.684 33.491 31.823 -0.026 0.000 0.995 317 V HN 0.763 nan 8.190 nan 0.000 0.429 318 K N 3.429 123.810 120.400 -0.032 0.000 2.339 318 K HA 0.617 4.937 4.320 0.001 0.000 0.286 318 K C -0.495 176.105 176.600 -0.000 0.000 1.050 318 K CA -0.197 56.080 56.287 -0.016 0.000 0.956 318 K CB 1.140 33.629 32.500 -0.018 0.000 0.990 318 K HN 1.094 nan 8.250 nan 0.000 0.475 319 V N 1.479 121.389 119.914 -0.007 0.000 3.130 319 V HA 0.609 4.730 4.120 0.001 0.000 0.310 319 V C -2.824 173.245 176.094 -0.040 0.000 1.158 319 V CA -2.736 59.553 62.300 -0.017 0.000 1.029 319 V CB 1.367 33.175 31.823 -0.025 0.000 1.057 319 V HN 0.661 nan 8.190 nan 0.000 0.436 320 P HA 0.288 nan 4.420 nan 0.000 0.272 320 P C -0.183 177.063 177.300 -0.089 0.000 1.223 320 P CA 0.004 63.036 63.100 -0.113 0.000 0.784 320 P CB 0.454 32.002 31.700 -0.254 0.000 0.923 321 D N 0.834 121.196 120.400 -0.063 0.000 2.309 321 D HA -0.129 4.511 4.640 0.001 0.000 0.212 321 D C 1.242 177.514 176.300 -0.047 0.000 0.968 321 D CA 1.318 55.292 54.000 -0.044 0.000 0.882 321 D CB -0.199 40.584 40.800 -0.029 0.000 0.918 321 D HN 0.401 nan 8.370 nan 0.000 0.503 322 Q N -0.187 119.571 119.800 -0.070 0.000 2.444 322 Q HA 0.099 4.440 4.340 0.001 0.000 0.206 322 Q C 0.279 176.249 176.000 -0.049 0.000 0.948 322 Q CA -0.003 55.767 55.803 -0.055 0.000 0.946 322 Q CB 0.451 29.152 28.738 -0.061 0.000 1.027 322 Q HN 0.083 nan 8.270 nan 0.000 0.513 323 V N 1.356 121.234 119.914 -0.060 0.000 2.775 323 V HA 0.194 4.315 4.120 0.001 0.000 0.299 323 V C 0.255 176.338 176.094 -0.018 0.000 1.062 323 V CA -0.037 62.242 62.300 -0.036 0.000 1.063 323 V CB 1.227 33.026 31.823 -0.041 0.000 0.994 323 V HN 0.107 nan 8.190 nan 0.000 0.483 324 K N 1.742 122.138 120.400 -0.007 0.000 2.509 324 K HA 0.645 4.966 4.320 0.001 0.000 0.266 324 K C -0.489 176.112 176.600 0.002 0.000 0.987 324 K CA -0.642 55.643 56.287 -0.002 0.000 0.868 324 K CB 2.051 34.552 32.500 0.001 0.000 1.421 324 K HN 0.735 nan 8.250 nan 0.000 0.444 325 A N 0.135 122.956 122.820 0.002 0.000 2.565 325 A HA 0.380 4.700 4.320 0.001 0.000 0.237 325 A C 1.229 178.819 177.584 0.010 0.000 1.053 325 A CA 1.743 53.783 52.037 0.004 0.000 0.755 325 A CB -0.802 18.200 19.000 0.003 0.000 0.980 325 A HN 1.029 nan 8.150 nan 0.000 0.506 326 G N 1.935 110.744 108.800 0.014 0.000 2.258 326 G HA2 -0.200 3.761 3.960 0.001 0.000 0.233 326 G HA3 -0.200 3.761 3.960 0.001 0.000 0.233 326 G C -0.007 174.910 174.900 0.028 0.000 1.006 326 G CA 0.283 45.396 45.100 0.023 0.000 0.620 326 G HN 0.857 nan 8.290 nan 0.000 0.511 327 D N 1.731 122.145 120.400 0.022 0.000 2.455 327 D HA 0.469 5.109 4.640 0.001 0.000 0.241 327 D C 0.677 176.991 176.300 0.024 0.000 1.138 327 D CA 0.558 54.574 54.000 0.026 0.000 0.877 327 D CB 1.125 41.940 40.800 0.024 0.000 1.187 327 D HN 0.224 nan 8.370 nan 0.000 0.451 328 S N 0.639 116.357 115.700 0.030 0.000 2.548 328 S HA 0.342 4.812 4.470 0.001 0.000 0.277 328 S C 0.021 174.620 174.600 -0.002 0.000 1.315 328 S CA -0.755 57.455 58.200 0.016 0.000 1.050 328 S CB 0.959 64.179 63.200 0.033 0.000 0.918 328 S HN 0.156 nan 8.310 nan 0.000 0.497 329 V N 4.469 124.359 119.914 -0.040 0.000 2.495 329 V HA 0.428 4.548 4.120 0.001 0.000 0.298 329 V C -0.221 175.824 176.094 -0.081 0.000 1.031 329 V CA -0.648 61.624 62.300 -0.048 0.000 0.871 329 V CB 1.533 33.315 31.823 -0.068 0.000 0.988 329 V HN 0.760 nan 8.190 nan 0.000 0.432 330 I N 5.328 125.871 120.570 -0.046 0.000 2.304 330 I HA 0.212 4.383 4.170 0.001 0.000 0.291 330 I C 0.457 176.546 176.117 -0.046 0.000 1.018 330 I CA -0.182 61.087 61.300 -0.052 0.000 1.260 330 I CB 1.516 39.513 38.000 -0.005 0.000 1.390 330 I HN 0.564 nan 8.210 nan 0.000 0.475 331 L N 7.292 128.459 121.223 -0.092 0.000 2.298 331 L HA 0.300 4.640 4.340 0.001 0.000 0.209 331 L C 0.428 177.329 176.870 0.052 0.000 1.084 331 L CA 0.979 55.778 54.840 -0.068 0.000 0.816 331 L CB 0.061 41.941 42.059 -0.298 0.000 0.967 331 L HN 0.443 nan 8.230 nan 0.000 0.460 332 I N -0.589 119.993 120.570 0.021 0.000 2.512 332 I HA 0.264 4.435 4.170 0.001 0.000 0.287 332 I C -1.197 174.936 176.117 0.027 0.000 1.069 332 I CA -0.624 60.704 61.300 0.047 0.000 1.056 332 I CB 2.187 40.210 38.000 0.039 0.000 1.229 332 I HN -0.123 nan 8.210 nan 0.000 0.429 333 D N 4.400 124.831 120.400 0.053 0.000 2.272 333 D HA 0.221 4.862 4.640 0.001 0.000 0.247 333 D C 0.275 176.584 176.300 0.015 0.000 0.990 333 D CA -0.382 53.642 54.000 0.041 0.000 0.931 333 D CB 1.340 42.199 40.800 0.098 0.000 1.195 333 D HN 0.506 nan 8.370 nan 0.000 0.477 334 N N 1.690 120.322 118.700 -0.114 0.000 2.652 334 N HA -0.027 4.714 4.740 0.001 0.000 0.259 334 N C -0.650 174.605 175.510 -0.426 0.000 1.240 334 N CA 0.038 52.953 53.050 -0.224 0.000 0.951 334 N CB -0.285 38.042 38.487 -0.266 0.000 1.281 334 N HN 0.283 nan 8.380 nan 0.000 0.507 335 H N -0.506 118.602 119.070 0.064 0.000 2.851 335 H HA 0.236 4.792 4.556 0.001 0.000 0.372 335 H C 0.507 175.886 175.328 0.086 0.000 1.158 335 H CA -0.653 55.433 56.048 0.063 0.000 1.159 335 H CB 2.831 32.623 29.762 0.051 0.000 1.757 335 H HN 0.078 nan 8.280 nan 0.000 0.546 336 R N 1.548 122.182 120.500 0.222 0.000 2.062 336 R HA -0.061 4.279 4.340 0.001 0.000 0.226 336 R C 0.955 177.337 176.300 0.136 0.000 1.125 336 R CA 1.650 57.855 56.100 0.175 0.000 0.966 336 R CB 0.047 30.448 30.300 0.168 0.000 0.861 336 R HN 0.522 nan 8.270 nan 0.000 0.433 337 E N 0.458 120.729 120.200 0.119 0.000 2.265 337 E HA -0.040 4.311 4.350 0.001 0.000 0.196 337 E C 0.514 177.148 176.600 0.055 0.000 0.996 337 E CA 0.824 57.263 56.400 0.064 0.000 0.832 337 E CB -0.221 29.495 29.700 0.028 0.000 0.756 337 E HN 0.210 nan 8.360 nan 0.000 0.491 338 S N 0.754 116.507 115.700 0.088 0.000 2.573 338 S HA 0.032 4.502 4.470 0.001 0.000 0.277 338 S C -1.673 172.968 174.600 0.067 0.000 1.346 338 S CA -1.258 56.989 58.200 0.078 0.000 1.034 338 S CB 0.574 63.853 63.200 0.132 0.000 0.879 338 S HN -0.068 nan 8.310 nan 0.000 0.528 339 P HA 0.071 nan 4.420 nan 0.000 0.245 339 P C -0.094 177.262 177.300 0.092 0.000 1.212 339 P CA 0.604 63.737 63.100 0.055 0.000 0.774 339 P CB 0.091 31.805 31.700 0.023 0.000 0.999 340 Q N -0.380 119.478 119.800 0.096 0.000 2.155 340 Q HA 0.112 4.453 4.340 0.001 0.000 0.220 340 Q C 0.519 176.577 176.000 0.097 0.000 0.819 340 Q CA -0.157 55.709 55.803 0.104 0.000 1.032 340 Q CB 0.219 29.017 28.738 0.100 0.000 1.151 340 Q HN 0.162 nan 8.270 nan 0.000 0.487 341 S N -1.733 114.027 115.700 0.100 0.000 2.576 341 S HA 0.069 4.540 4.470 0.001 0.000 0.272 341 S C 1.377 176.026 174.600 0.080 0.000 1.352 341 S CA -0.520 57.747 58.200 0.112 0.000 1.021 341 S CB 0.964 64.237 63.200 0.122 0.000 0.887 341 S HN 0.039 nan 8.310 nan 0.000 0.542 342 V N 1.837 121.794 119.914 0.072 0.000 2.407 342 V HA -0.135 3.986 4.120 0.001 0.000 0.248 342 V C 2.520 178.605 176.094 -0.015 0.000 1.055 342 V CA 2.288 64.569 62.300 -0.032 0.000 1.049 342 V CB -1.299 30.376 31.823 -0.247 0.000 0.662 342 V HN 0.856 nan 8.190 nan 0.000 0.455 343 E N -0.139 120.084 120.200 0.038 0.000 2.152 343 E HA -0.109 4.241 4.350 0.001 0.000 0.192 343 E C 2.116 178.739 176.600 0.038 0.000 0.983 343 E CA 0.854 57.281 56.400 0.046 0.000 0.818 343 E CB -0.397 29.352 29.700 0.081 0.000 0.758 343 E HN 0.408 nan 8.360 nan 0.000 0.467 344 V N 0.076 120.017 119.914 0.045 0.000 2.427 344 V HA -0.186 3.935 4.120 0.001 0.000 0.248 344 V C 2.126 178.230 176.094 0.016 0.000 1.051 344 V CA 1.112 63.434 62.300 0.037 0.000 1.048 344 V CB -0.250 31.605 31.823 0.053 0.000 0.666 344 V HN 0.139 nan 8.190 nan 0.000 0.456 345 V N 0.326 120.249 119.914 0.015 0.000 2.407 345 V HA -0.241 3.879 4.120 0.001 0.000 0.248 345 V C 2.692 178.759 176.094 -0.045 0.000 1.055 345 V CA 1.900 64.191 62.300 -0.014 0.000 1.049 345 V CB -1.007 30.818 31.823 0.004 0.000 0.662 345 V HN 0.560 nan 8.190 nan 0.000 0.455 346 A N 0.192 122.998 122.820 -0.025 0.000 1.883 346 A HA -0.279 4.042 4.320 0.001 0.000 0.217 346 A C 2.205 179.771 177.584 -0.029 0.000 1.186 346 A CA 2.184 54.211 52.037 -0.016 0.000 0.624 346 A CB -0.518 18.490 19.000 0.014 0.000 0.822 346 A HN 0.579 nan 8.150 nan 0.000 0.444 347 E N 0.169 120.353 120.200 -0.026 0.000 2.077 347 E HA -0.209 4.141 4.350 0.001 0.000 0.193 347 E C 1.933 178.428 176.600 -0.174 0.000 0.989 347 E CA 1.894 58.266 56.400 -0.047 0.000 0.800 347 E CB -0.222 29.471 29.700 -0.011 0.000 0.746 347 E HN 0.448 nan 8.360 nan 0.000 0.452 348 K N 0.380 120.685 120.400 -0.160 0.000 2.097 348 K HA -0.090 4.230 4.320 0.001 0.000 0.206 348 K C 1.777 178.170 176.600 -0.346 0.000 1.049 348 K CA 1.611 57.755 56.287 -0.238 0.000 0.933 348 K CB -0.050 32.370 32.500 -0.134 0.000 0.717 348 K HN 0.228 nan 8.250 nan 0.000 0.442 349 Q N -0.641 119.028 119.800 -0.218 0.000 2.365 349 Q HA 0.035 4.375 4.340 0.001 0.000 0.203 349 Q C -0.760 175.208 176.000 -0.054 0.000 0.929 349 Q CA 0.187 55.903 55.803 -0.146 0.000 0.948 349 Q CB -0.010 28.675 28.738 -0.088 0.000 1.043 349 Q HN 0.498 nan 8.270 nan 0.000 0.505 350 H N -0.831 118.235 119.070 -0.007 0.000 2.626 350 H HA -0.198 4.358 4.556 0.001 0.000 0.317 350 H C 0.091 175.424 175.328 0.008 0.000 1.140 350 H CA 0.907 56.956 56.048 0.002 0.000 1.134 350 H CB -1.123 28.636 29.762 -0.004 0.000 1.486 350 H HN 0.201 nan 8.280 nan 0.000 0.417 351 T N -1.328 113.281 114.554 0.091 0.000 2.587 351 T HA 0.691 5.042 4.350 0.001 0.000 0.282 351 T C -0.761 173.988 174.700 0.081 0.000 1.018 351 T CA -0.299 61.847 62.100 0.078 0.000 1.120 351 T CB 1.181 70.083 68.868 0.057 0.000 1.538 351 T HN 0.365 nan 8.240 nan 0.000 0.480 352 I N 0.884 121.516 120.570 0.102 0.000 2.797 352 I HA 0.567 4.738 4.170 0.001 0.000 0.307 352 I C 1.205 177.409 176.117 0.145 0.000 1.033 352 I CA -1.169 60.222 61.300 0.152 0.000 1.071 352 I CB 1.937 40.079 38.000 0.237 0.000 1.255 352 I HN 0.749 nan 8.210 nan 0.000 0.445 353 N N 2.743 121.508 118.700 0.110 0.000 2.132 353 N HA -0.303 4.438 4.740 0.001 0.000 0.191 353 N C 1.324 176.814 175.510 -0.034 0.000 1.015 353 N CA 1.943 54.974 53.050 -0.032 0.000 0.864 353 N CB -1.152 37.254 38.487 -0.135 0.000 1.006 353 N HN 0.833 nan 8.380 nan 0.000 0.430 354 Y N 0.547 120.859 120.300 0.019 0.000 2.151 354 Y HA -0.157 4.394 4.550 0.001 0.000 0.284 354 Y C 2.746 178.670 175.900 0.039 0.000 1.166 354 Y CA 1.734 59.880 58.100 0.078 0.000 1.163 354 Y CB -0.294 38.248 38.460 0.136 0.000 0.974 354 Y HN 0.261 nan 8.280 nan 0.000 0.511 355 E N -0.012 120.304 120.200 0.194 0.000 2.112 355 E HA -0.126 4.225 4.350 0.001 0.000 0.190 355 E C 2.161 178.785 176.600 0.041 0.000 0.979 355 E CA 0.870 57.327 56.400 0.096 0.000 0.814 355 E CB -0.019 29.724 29.700 0.071 0.000 0.762 355 E HN 0.240 nan 8.360 nan 0.000 0.460 356 V N 1.526 121.450 119.914 0.015 0.000 2.324 356 V HA -0.303 3.818 4.120 0.001 0.000 0.250 356 V C 2.394 178.470 176.094 -0.029 0.000 1.060 356 V CA 1.576 63.863 62.300 -0.022 0.000 1.042 356 V CB -0.444 31.347 31.823 -0.054 0.000 0.650 356 V HN 0.355 nan 8.190 nan 0.000 0.450 357 L N -1.118 120.077 121.223 -0.047 0.000 2.056 357 L HA -0.171 4.170 4.340 0.001 0.000 0.207 357 L C 2.576 179.441 176.870 -0.009 0.000 1.078 357 L CA 1.452 56.262 54.840 -0.050 0.000 0.749 357 L CB -0.653 41.359 42.059 -0.079 0.000 0.901 357 L HN 0.375 nan 8.230 nan 0.000 0.433 358 C N -0.156 119.154 119.300 0.018 0.000 2.432 358 C HA -0.083 4.378 4.460 0.001 0.000 0.280 358 C C 2.539 177.531 174.990 0.004 0.000 1.353 358 C CA 0.338 59.360 59.018 0.008 0.000 1.766 358 C CB -1.191 26.557 27.740 0.014 0.000 1.924 358 C HN 0.557 nan 8.230 nan 0.000 0.509 359 N N 0.951 119.657 118.700 0.010 0.000 2.223 359 N HA -0.031 4.710 4.740 0.001 0.000 0.185 359 N C 0.286 175.809 175.510 0.022 0.000 1.016 359 N CA 0.665 53.725 53.050 0.016 0.000 0.863 359 N CB -0.453 38.043 38.487 0.016 0.000 0.983 359 N HN 0.279 nan 8.380 nan 0.000 0.429 360 L N 2.007 123.239 121.223 0.015 0.000 2.660 360 L HA -0.028 4.313 4.340 0.001 0.000 0.272 360 L C 0.695 177.571 176.870 0.009 0.000 1.194 360 L CA 0.288 55.137 54.840 0.015 0.000 0.945 360 L CB -0.930 41.129 42.059 -0.001 0.000 1.212 360 L HN -0.066 nan 8.230 nan 0.000 0.490 361 S N 4.057 119.767 115.700 0.017 0.000 2.624 361 S HA 0.194 4.665 4.470 0.001 0.000 0.263 361 S C 1.436 176.039 174.600 0.005 0.000 1.287 361 S CA -0.629 57.579 58.200 0.014 0.000 0.990 361 S CB 0.688 63.900 63.200 0.020 0.000 0.950 361 S HN 0.704 nan 8.310 nan 0.000 0.561 362 R N 1.237 121.741 120.500 0.007 0.000 2.193 362 R HA -0.018 4.323 4.340 0.001 0.000 0.229 362 R C 1.832 178.137 176.300 0.008 0.000 1.110 362 R CA 1.035 57.139 56.100 0.007 0.000 0.988 362 R CB -0.217 30.090 30.300 0.010 0.000 0.871 362 R HN 0.420 nan 8.270 nan 0.000 0.458 363 R N 1.022 121.528 120.500 0.010 0.000 2.193 363 R HA 0.066 4.407 4.340 0.001 0.000 0.229 363 R C 0.211 176.517 176.300 0.010 0.000 1.110 363 R CA 0.552 56.660 56.100 0.014 0.000 0.988 363 R CB -0.150 30.157 30.300 0.011 0.000 0.871 363 R HN 0.226 nan 8.270 nan 0.000 0.458 364 L N 2.560 123.781 121.223 -0.004 0.000 2.319 364 L HA 0.234 4.575 4.340 0.001 0.000 0.280 364 L C -2.152 174.688 176.870 -0.049 0.000 1.099 364 L CA -1.992 52.836 54.840 -0.021 0.000 0.828 364 L CB 1.065 43.107 42.059 -0.028 0.000 1.150 364 L HN -0.125 nan 8.230 nan 0.000 0.442 365 P HA 0.238 nan 4.420 nan 0.000 0.275 365 P C -1.034 176.149 177.300 -0.195 0.000 1.227 365 P CA -0.527 62.469 63.100 -0.174 0.000 0.781 365 P CB 0.744 32.214 31.700 -0.384 0.000 0.906 366 R N 2.655 123.029 120.500 -0.210 0.000 2.229 366 R HA 0.464 4.805 4.340 0.001 0.000 0.328 366 R C -0.335 175.671 176.300 -0.490 0.000 1.009 366 R CA -0.199 55.684 56.100 -0.362 0.000 0.864 366 R CB 0.130 30.175 30.300 -0.426 0.000 1.085 366 R HN 0.470 nan 8.270 nan 0.000 0.453 367 I N 4.995 125.307 120.570 -0.430 0.000 2.330 367 I HA 0.238 4.408 4.170 0.001 0.000 0.286 367 I C -0.570 175.414 176.117 -0.223 0.000 1.025 367 I CA -0.800 60.319 61.300 -0.301 0.000 1.197 367 I CB 0.600 38.446 38.000 -0.257 0.000 1.358 367 I HN 0.447 nan 8.210 nan 0.000 0.467 368 Y N 4.962 125.312 120.300 0.085 0.000 2.316 368 Y HA 0.300 4.851 4.550 0.001 0.000 0.331 368 Y C 0.623 176.549 175.900 0.045 0.000 1.083 368 Y CA -0.195 57.967 58.100 0.104 0.000 1.206 368 Y CB 0.426 38.916 38.460 0.050 0.000 1.195 368 Y HN 0.418 nan 8.280 nan 0.000 0.497 369 H N 2.443 121.571 119.070 0.098 0.000 2.466 369 H HA 0.202 4.759 4.556 0.001 0.000 0.338 369 H C -0.919 174.413 175.328 0.008 0.000 1.091 369 H CA -0.616 55.461 56.048 0.047 0.000 1.207 369 H CB 2.045 31.822 29.762 0.024 0.000 1.466 369 H HN 0.591 nan 8.280 nan 0.000 0.493 370 D N 2.148 122.605 120.400 0.096 0.000 2.735 370 D HA 0.160 4.801 4.640 0.001 0.000 0.291 370 D C 0.413 176.754 176.300 0.068 0.000 1.205 370 D CA -0.163 53.864 54.000 0.045 0.000 0.777 370 D CB -0.150 40.648 40.800 -0.003 0.000 1.234 370 D HN 0.990 nan 8.370 nan 0.000 0.520 371 G N 2.828 111.679 108.800 0.085 0.000 2.392 371 G HA2 -0.237 3.724 3.960 0.001 0.000 0.290 371 G HA3 -0.237 3.724 3.960 0.001 0.000 0.290 371 G C 0.386 175.322 174.900 0.059 0.000 1.032 371 G CA 0.143 45.287 45.100 0.073 0.000 1.269 371 G HN 0.487 nan 8.290 nan 0.000 0.511 372 D N -1.483 118.954 120.400 0.063 0.000 3.077 372 D HA -0.176 4.464 4.640 0.001 0.000 0.217 372 D C 0.762 177.070 176.300 0.013 0.000 1.162 372 D CA 2.036 56.057 54.000 0.035 0.000 0.943 372 D CB -0.830 39.991 40.800 0.036 0.000 1.122 372 D HN 0.905 nan 8.370 nan 0.000 0.413 373 Q N 0.021 119.832 119.800 0.018 0.000 2.314 373 Q HA 0.448 4.788 4.340 0.001 0.000 0.259 373 Q C 0.130 176.126 176.000 -0.007 0.000 0.951 373 Q CA -0.487 55.328 55.803 0.021 0.000 0.909 373 Q CB 1.648 30.411 28.738 0.041 0.000 1.236 373 Q HN -0.074 nan 8.270 nan 0.000 0.444 374 R N 2.310 122.796 120.500 -0.022 0.000 2.589 374 R HA 0.561 4.901 4.340 0.001 0.000 0.293 374 R C -1.317 175.027 176.300 0.074 0.000 0.963 374 R CA -0.645 55.410 56.100 -0.076 0.000 0.905 374 R CB 1.421 31.620 30.300 -0.168 0.000 1.144 374 R HN 0.610 nan 8.270 nan 0.000 0.459 375 F N 1.501 121.423 119.950 -0.046 0.000 2.588 375 F HA 0.411 4.938 4.527 0.001 0.000 0.314 375 F C -1.255 174.588 175.800 0.073 0.000 1.134 375 F CA -0.739 57.276 58.000 0.025 0.000 0.961 375 F CB 1.572 40.602 39.000 0.050 0.000 1.239 375 F HN 0.139 nan 8.300 nan 0.000 0.448 376 V N 3.672 123.342 119.914 -0.406 0.000 2.667 376 V HA 0.619 4.739 4.120 0.001 0.000 0.308 376 V C -0.498 175.518 176.094 -0.131 0.000 1.048 376 V CA -0.579 61.603 62.300 -0.196 0.000 0.928 376 V CB 2.019 33.704 31.823 -0.231 0.000 1.004 376 V HN 0.811 nan 8.190 nan 0.000 0.444 377 T N 3.416 118.014 114.554 0.072 0.000 2.864 377 T HA 0.346 4.696 4.350 0.001 0.000 0.299 377 T C -0.590 174.122 174.700 0.019 0.000 1.011 377 T CA -0.381 61.802 62.100 0.138 0.000 0.975 377 T CB 0.509 69.576 68.868 0.333 0.000 0.962 377 T HN 0.610 nan 8.240 nan 0.000 0.448 378 N N 2.465 121.170 118.700 0.007 0.000 2.626 378 N HA 0.187 4.928 4.740 0.001 0.000 0.249 378 N C 0.817 176.344 175.510 0.029 0.000 1.021 378 N CA -0.533 52.520 53.050 0.005 0.000 0.886 378 N CB 1.415 39.910 38.487 0.013 0.000 1.149 378 N HN 0.617 nan 8.380 nan 0.000 0.517 379 E N 1.878 122.095 120.200 0.028 0.000 2.209 379 E HA -0.137 4.214 4.350 0.001 0.000 0.196 379 E C 1.060 177.682 176.600 0.036 0.000 0.993 379 E CA 1.085 57.505 56.400 0.032 0.000 0.819 379 E CB 0.198 29.913 29.700 0.024 0.000 0.745 379 E HN 0.521 nan 8.360 nan 0.000 0.477 380 L N -0.200 121.047 121.223 0.040 0.000 2.201 380 L HA -0.126 4.214 4.340 0.001 0.000 0.212 380 L C 1.659 178.561 176.870 0.053 0.000 1.105 380 L CA 1.296 56.164 54.840 0.046 0.000 0.775 380 L CB -0.033 42.058 42.059 0.054 0.000 0.913 380 L HN 0.211 nan 8.230 nan 0.000 0.440 381 L N -1.749 119.509 121.223 0.059 0.000 2.728 381 L HA 0.162 4.502 4.340 0.001 0.000 0.238 381 L C 0.973 177.873 176.870 0.050 0.000 1.143 381 L CA -0.121 54.756 54.840 0.062 0.000 0.937 381 L CB -0.015 42.093 42.059 0.082 0.000 1.225 381 L HN 0.081 nan 8.230 nan 0.000 0.507 382 K N 0.000 120.429 120.400 0.048 0.000 2.780 382 K HA 0.000 4.321 4.320 0.001 0.000 0.191 382 K CA 0.000 56.318 56.287 0.052 0.000 0.838 382 K CB 0.000 32.533 32.500 0.054 0.000 1.064 382 K HN 0.000 nan 8.250 nan 0.000 0.543