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 1eg1_1_A DATA FIRST_RESID 2 DATA SEQUENCE QPGTSTPEVH PKLTTYKcTK SGGcVAQDTS VVLDWNYRWM HDANYNScTV DATA SEQUENCE NGGVNTTLcP DEATcGKNcF IEGVDYAASG VTTSGSSLTM NQYMPSSSGG DATA SEQUENCE YSSVSPRLYL LDSDGEYVML KLNGQELSFD VDLSALPcGE NGSLYLSQMD DATA SEQUENCE ENGGANQYNT AGANYGSGYc DAQcPVQTWR NGTLNTSHQG FccNEMDILE DATA SEQUENCE GNSRANALTP HScTATAcDS AGcGFNPYGS GYKSYYGPGD TVDTSKTFTI DATA SEQUENCE ITQFNTDNGS PSGNLVSITR KYQQNGVDIP SAQPGGDTIS ScPSASAYGG DATA SEQUENCE LATMGKALSS GMVLVFSIWN DNSQYMNWLD SGNAGPcSST EGNPSNILAN DATA SEQUENCE NPNTHVVFSN IRWGDIGSTT 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 175.809 176.000 -0.319 0.000 1.003 2 Q CA 0.000 55.641 55.803 -0.270 0.000 1.022 2 Q CB 0.000 28.589 28.738 -0.248 0.000 1.108 3 P HA 0.052 nan 4.420 nan 0.000 0.262 3 P C -0.090 177.181 177.300 -0.050 0.000 1.182 3 P CA 0.934 63.861 63.100 -0.288 0.000 0.761 3 P CB 0.383 32.067 31.700 -0.028 0.000 0.795 4 G N 1.651 110.382 108.800 -0.116 0.000 2.563 4 G HA2 0.402 4.362 3.960 -0.000 0.000 0.283 4 G HA3 0.402 4.362 3.960 -0.000 0.000 0.283 4 G C 0.632 175.492 174.900 -0.067 0.000 1.309 4 G CA 0.047 45.067 45.100 -0.133 0.000 1.022 4 G HN 0.472 nan 8.290 nan 0.000 0.501 5 T N -4.608 109.878 114.554 -0.113 0.000 2.966 5 T HA 0.098 4.448 4.350 -0.000 0.000 0.254 5 T C 2.149 176.871 174.700 0.037 0.000 0.961 5 T CA 0.896 62.978 62.100 -0.031 0.000 0.915 5 T CB 0.117 68.945 68.868 -0.066 0.000 1.186 5 T HN 0.277 nan 8.240 nan 0.000 0.505 6 S N 1.951 117.696 115.700 0.075 0.000 2.370 6 S HA 0.023 4.493 4.470 -0.000 0.000 0.226 6 S C 0.732 175.456 174.600 0.208 0.000 1.033 6 S CA 1.063 59.382 58.200 0.197 0.000 1.011 6 S CB -0.284 63.147 63.200 0.385 0.000 0.852 6 S HN 0.642 nan 8.310 nan 0.000 0.457 7 T N 3.451 118.127 114.554 0.204 0.000 2.906 7 T HA 0.379 4.729 4.350 -0.000 0.000 0.302 7 T C -2.889 171.883 174.700 0.121 0.000 1.002 7 T CA -1.324 60.884 62.100 0.181 0.000 0.988 7 T CB 2.147 71.169 68.868 0.257 0.000 0.972 7 T HN 0.044 nan 8.240 nan 0.000 0.447 8 P HA 0.267 nan 4.420 nan 0.000 0.275 8 P C -0.513 176.785 177.300 -0.004 0.000 1.228 8 P CA -0.392 62.735 63.100 0.044 0.000 0.786 8 P CB 0.944 32.658 31.700 0.025 0.000 0.927 9 E N 2.291 122.439 120.200 -0.087 0.000 2.001 9 E HA 0.264 4.614 4.350 -0.000 0.000 0.279 9 E C -1.111 175.280 176.600 -0.348 0.000 1.045 9 E CA -0.502 55.738 56.400 -0.267 0.000 0.833 9 E CB -0.273 29.058 29.700 -0.613 0.000 1.077 9 E HN 0.082 nan 8.360 nan 0.000 0.397 10 V N 6.580 126.348 119.914 -0.244 0.000 2.293 10 V HA 0.181 4.301 4.120 -0.000 0.000 0.275 10 V C -0.075 175.826 176.094 -0.323 0.000 1.021 10 V CA -0.936 61.224 62.300 -0.233 0.000 0.815 10 V CB 0.535 32.298 31.823 -0.101 0.000 1.025 10 V HN 0.673 nan 8.190 nan 0.000 0.448 11 H N 4.847 123.799 119.070 -0.196 0.000 2.964 11 H HA 0.154 4.709 4.556 -0.000 0.000 0.328 11 H C -2.302 172.812 175.328 -0.355 0.000 1.030 11 H CA -1.646 54.200 56.048 -0.336 0.000 1.445 11 H CB 0.699 30.337 29.762 -0.206 0.000 1.449 11 H HN 0.401 nan 8.280 nan 0.000 0.581 12 P HA 0.064 nan 4.420 nan 0.000 0.271 12 P C -0.010 177.181 177.300 -0.180 0.000 1.233 12 P CA -0.077 62.840 63.100 -0.305 0.000 0.764 12 P CB 0.569 32.024 31.700 -0.408 0.000 0.825 13 K N 2.763 123.093 120.400 -0.117 0.000 2.368 13 K HA 0.292 4.612 4.320 -0.000 0.000 0.282 13 K C -0.401 176.144 176.600 -0.092 0.000 1.035 13 K CA -0.207 56.029 56.287 -0.085 0.000 0.973 13 K CB 0.284 32.749 32.500 -0.059 0.000 0.957 13 K HN 0.289 nan 8.250 nan 0.000 0.474 14 L N 2.595 123.767 121.223 -0.086 0.000 2.439 14 L HA 0.251 4.590 4.340 -0.000 0.000 0.270 14 L C -0.884 175.937 176.870 -0.083 0.000 0.972 14 L CA -0.066 54.720 54.840 -0.091 0.000 0.836 14 L CB 2.164 44.151 42.059 -0.120 0.000 1.255 14 L HN 0.474 nan 8.230 nan 0.000 0.404 15 T N 3.552 118.036 114.554 -0.117 0.000 2.749 15 T HA 0.568 4.918 4.350 -0.000 0.000 0.295 15 T C 0.251 174.724 174.700 -0.379 0.000 0.936 15 T CA -0.098 61.873 62.100 -0.216 0.000 1.060 15 T CB 0.444 69.186 68.868 -0.210 0.000 0.904 15 T HN 0.795 nan 8.240 nan 0.000 0.500 16 T N 0.929 115.253 114.554 -0.383 0.000 2.841 16 T HA 0.795 5.145 4.350 -0.000 0.000 0.276 16 T C -1.179 173.060 174.700 -0.768 0.000 1.003 16 T CA -0.815 61.054 62.100 -0.386 0.000 0.995 16 T CB 1.004 69.987 68.868 0.192 0.000 1.260 16 T HN 0.460 nan 8.240 nan 0.000 0.581 17 Y N -1.213 118.924 120.300 -0.272 0.000 2.625 17 Y HA 0.678 5.228 4.550 -0.000 0.000 0.338 17 Y C -0.269 175.113 175.900 -0.862 0.000 1.123 17 Y CA -1.289 56.566 58.100 -0.409 0.000 1.046 17 Y CB 2.185 40.519 38.460 -0.210 0.000 1.299 17 Y HN 0.738 nan 8.280 nan 0.000 0.464 18 K N 1.707 121.844 120.400 -0.438 0.000 2.559 18 K HA 0.663 4.982 4.320 -0.000 0.000 0.249 18 K C -1.850 174.610 176.600 -0.233 0.000 0.958 18 K CA -0.279 55.677 56.287 -0.552 0.000 0.901 18 K CB 0.597 32.845 32.500 -0.421 0.000 1.124 18 K HN 0.809 nan 8.250 nan 0.000 0.437 19 c N 2.631 121.122 118.600 -0.180 0.000 2.365 19 c HA 0.583 5.153 4.570 -0.000 0.000 0.351 19 c C 0.381 174.443 174.090 -0.048 0.000 1.240 19 c CA -0.620 55.655 56.329 -0.091 0.000 2.062 19 c CB 0.585 43.055 42.510 -0.067 0.000 2.387 19 c HN 0.824 nan 8.230 nan 0.000 0.537 20 T N -0.684 113.850 114.554 -0.033 0.000 2.863 20 T HA 0.370 4.720 4.350 -0.000 0.000 0.285 20 T C 0.568 175.263 174.700 -0.009 0.000 1.009 20 T CA -0.751 61.343 62.100 -0.011 0.000 0.989 20 T CB 1.302 70.164 68.868 -0.009 0.000 1.004 20 T HN 0.658 nan 8.240 nan 0.000 0.455 21 K N 0.906 121.308 120.400 0.002 0.000 2.160 21 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 21 K C 2.258 178.856 176.600 -0.004 0.000 1.047 21 K CA 2.004 58.292 56.287 0.001 0.000 0.930 21 K CB -0.122 32.383 32.500 0.008 0.000 0.720 21 K HN 0.779 nan 8.250 nan 0.000 0.450 22 S N -1.511 114.187 115.700 -0.004 0.000 2.444 22 S HA 0.025 4.494 4.470 -0.000 0.000 0.223 22 S C 1.807 176.400 174.600 -0.011 0.000 1.054 22 S CA 0.368 58.565 58.200 -0.005 0.000 0.947 22 S CB 0.103 63.302 63.200 -0.002 0.000 0.850 22 S HN 0.224 nan 8.310 nan 0.000 0.527 23 G N 1.210 110.003 108.800 -0.012 0.000 3.440 23 G HA2 0.510 4.470 3.960 -0.000 0.000 0.263 23 G HA3 0.510 4.470 3.960 -0.000 0.000 0.263 23 G C 0.888 175.771 174.900 -0.028 0.000 1.236 23 G CA 0.005 45.095 45.100 -0.017 0.000 0.927 23 G HN 0.994 nan 8.290 nan 0.000 0.530 24 G N -0.553 108.226 108.800 -0.034 0.000 2.578 24 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.275 24 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.275 24 G C 0.129 174.987 174.900 -0.070 0.000 1.271 24 G CA 0.264 45.333 45.100 -0.053 0.000 0.941 24 G HN 0.867 nan 8.290 nan 0.000 0.564 25 c N -0.400 118.138 118.600 -0.103 0.000 2.351 25 c HA 0.678 5.248 4.570 -0.000 0.000 0.326 25 c C 0.574 174.620 174.090 -0.072 0.000 1.272 25 c CA -0.546 55.706 56.329 -0.127 0.000 1.650 25 c CB 0.753 43.105 42.510 -0.263 0.000 2.257 25 c HN 0.706 nan 8.230 nan 0.000 0.505 26 V N 2.829 122.738 119.914 -0.008 0.000 2.483 26 V HA 0.659 4.779 4.120 -0.000 0.000 0.295 26 V C 0.618 176.814 176.094 0.169 0.000 1.035 26 V CA -0.404 61.923 62.300 0.046 0.000 0.896 26 V CB 1.377 33.200 31.823 -0.000 0.000 0.986 26 V HN 1.066 nan 8.190 nan 0.000 0.447 27 A N 4.562 127.497 122.820 0.192 0.000 2.440 27 A HA 0.512 4.831 4.320 -0.000 0.000 0.251 27 A C 0.021 177.602 177.584 -0.005 0.000 1.089 27 A CA -0.258 51.868 52.037 0.149 0.000 0.779 27 A CB 0.189 19.266 19.000 0.128 0.000 1.022 27 A HN 0.754 nan 8.150 nan 0.000 0.492 28 Q N 1.131 120.866 119.800 -0.109 0.000 2.309 28 Q HA 0.224 4.564 4.340 -0.000 0.000 0.264 28 Q C -1.135 174.835 176.000 -0.050 0.000 1.008 28 Q CA -0.523 55.243 55.803 -0.063 0.000 0.853 28 Q CB 1.940 30.646 28.738 -0.054 0.000 1.314 28 Q HN 0.760 nan 8.270 nan 0.000 0.448 29 D N 2.122 122.514 120.400 -0.013 0.000 2.994 29 D HA 0.060 4.700 4.640 -0.000 0.000 0.240 29 D C -0.248 176.050 176.300 -0.004 0.000 1.195 29 D CA -0.008 53.984 54.000 -0.013 0.000 0.957 29 D CB 0.105 40.903 40.800 -0.004 0.000 1.105 29 D HN 0.453 nan 8.370 nan 0.000 0.477 30 T N -1.913 112.641 114.554 0.000 0.000 2.814 30 T HA 0.733 5.083 4.350 -0.000 0.000 0.284 30 T C 0.368 175.057 174.700 -0.017 0.000 0.998 30 T CA -0.698 61.414 62.100 0.020 0.000 0.935 30 T CB 1.391 70.311 68.868 0.086 0.000 1.167 30 T HN 0.209 nan 8.240 nan 0.000 0.545 31 S N -1.485 114.202 115.700 -0.022 0.000 2.655 31 S HA 0.627 5.096 4.470 -0.000 0.000 0.266 31 S C -0.906 173.666 174.600 -0.047 0.000 1.149 31 S CA -0.622 57.541 58.200 -0.062 0.000 0.818 31 S CB 0.810 63.959 63.200 -0.084 0.000 1.130 31 S HN 1.551 nan 8.310 nan 0.000 0.476 32 V N -1.063 118.801 119.914 -0.084 0.000 2.667 32 V HA 0.995 5.115 4.120 -0.000 0.000 0.308 32 V C -0.629 175.488 176.094 0.039 0.000 1.048 32 V CA -0.778 61.509 62.300 -0.022 0.000 0.928 32 V CB 1.147 32.910 31.823 -0.100 0.000 1.004 32 V HN 0.935 nan 8.190 nan 0.000 0.444 33 V N 3.852 123.877 119.914 0.186 0.000 2.823 33 V HA 0.533 4.652 4.120 -0.000 0.000 0.312 33 V C -0.433 175.834 176.094 0.289 0.000 1.072 33 V CA -0.660 61.855 62.300 0.359 0.000 0.937 33 V CB 1.751 33.809 31.823 0.393 0.000 1.013 33 V HN 0.904 nan 8.190 nan 0.000 0.430 34 L N 2.550 123.971 121.223 0.330 0.000 2.326 34 L HA 0.509 4.849 4.340 -0.000 0.000 0.278 34 L C 0.117 177.039 176.870 0.086 0.000 1.092 34 L CA 0.180 55.009 54.840 -0.017 0.000 0.810 34 L CB 1.018 42.891 42.059 -0.311 0.000 1.153 34 L HN 0.833 nan 8.230 nan 0.000 0.439 35 D N 3.695 124.087 120.400 -0.013 0.000 2.493 35 D HA -0.148 4.492 4.640 -0.000 0.000 0.240 35 D C 1.028 177.641 176.300 0.521 0.000 1.142 35 D CA 0.392 54.604 54.000 0.353 0.000 0.872 35 D CB 0.460 41.455 40.800 0.324 0.000 1.173 35 D HN 0.589 nan 8.370 nan 0.000 0.467 36 W N 4.933 126.425 121.300 0.319 0.000 2.255 36 W HA -0.351 4.309 4.660 -0.000 0.000 0.318 36 W C 0.920 177.515 176.519 0.128 0.000 1.277 36 W CA 1.712 59.172 57.345 0.192 0.000 1.286 36 W CB -0.377 29.156 29.460 0.122 0.000 1.132 36 W HN 0.572 nan 8.180 nan 0.000 0.504 37 N N -0.389 118.590 118.700 0.465 0.000 2.289 37 N HA -0.195 4.544 4.740 -0.000 0.000 0.184 37 N C 1.164 176.689 175.510 0.025 0.000 1.016 37 N CA 1.479 54.657 53.050 0.214 0.000 0.872 37 N CB -0.876 37.666 38.487 0.092 0.000 0.973 37 N HN 0.288 nan 8.380 nan 0.000 0.433 38 Y N 1.081 121.416 120.300 0.059 0.000 2.583 38 Y HA 0.129 4.679 4.550 -0.000 0.000 0.293 38 Y C 1.112 177.012 175.900 -0.001 0.000 1.157 38 Y CA 0.136 58.245 58.100 0.015 0.000 1.315 38 Y CB -0.003 38.443 38.460 -0.024 0.000 1.021 38 Y HN -0.133 nan 8.280 nan 0.000 0.536 39 R N -0.803 119.762 120.500 0.109 0.000 2.546 39 R HA 0.133 4.473 4.340 -0.000 0.000 0.266 39 R C -0.787 175.574 176.300 0.101 0.000 1.086 39 R CA -0.790 55.344 56.100 0.057 0.000 1.160 39 R CB 0.416 30.678 30.300 -0.064 0.000 1.138 39 R HN 0.139 nan 8.270 nan 0.000 0.567 40 W N 3.259 124.526 121.300 -0.055 0.000 2.351 40 W HA 0.416 5.076 4.660 -0.000 0.000 0.311 40 W C -0.983 175.497 176.519 -0.065 0.000 1.168 40 W CA -1.096 56.247 57.345 -0.004 0.000 1.200 40 W CB 0.678 30.180 29.460 0.070 0.000 1.221 40 W HN 0.425 nan 8.180 nan 0.000 0.519 41 M N 8.710 128.302 119.600 -0.013 0.000 2.326 41 M HA 0.383 4.862 4.480 -0.000 0.000 0.292 41 M C -1.416 174.789 176.300 -0.158 0.000 1.081 41 M CA -0.305 54.811 55.300 -0.307 0.000 0.919 41 M CB 1.650 34.089 32.600 -0.270 0.000 1.634 41 M HN 0.727 nan 8.290 nan 0.000 0.451 42 H N 1.156 120.089 119.070 -0.227 0.000 2.981 42 H HA 0.470 5.026 4.556 -0.000 0.000 0.327 42 H C -1.952 173.364 175.328 -0.020 0.000 1.342 42 H CA -0.925 55.062 56.048 -0.102 0.000 1.123 42 H CB 0.808 30.481 29.762 -0.148 0.000 1.851 42 H HN 0.709 nan 8.280 nan 0.000 0.531 43 D N 0.144 120.651 120.400 0.178 0.000 2.433 43 D HA 0.225 4.865 4.640 -0.000 0.000 0.255 43 D C 1.347 177.733 176.300 0.144 0.000 1.226 43 D CA -0.048 54.067 54.000 0.192 0.000 1.015 43 D CB 0.649 41.521 40.800 0.119 0.000 1.091 43 D HN 0.642 nan 8.370 nan 0.000 0.527 44 A N 0.367 123.288 122.820 0.168 0.000 1.986 44 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 44 A C 1.611 179.113 177.584 -0.137 0.000 1.171 44 A CA 1.298 53.303 52.037 -0.053 0.000 0.640 44 A CB -0.696 18.345 19.000 0.068 0.000 0.811 44 A HN 0.618 nan 8.150 nan 0.000 0.451 45 N N -2.173 116.518 118.700 -0.014 0.000 2.398 45 N HA 0.075 4.815 4.740 -0.000 0.000 0.188 45 N C -0.629 174.986 175.510 0.175 0.000 1.122 45 N CA 0.533 53.632 53.050 0.082 0.000 0.866 45 N CB 0.011 38.552 38.487 0.090 0.000 0.970 45 N HN 0.539 nan 8.380 nan 0.000 0.462 46 Y N -1.066 119.254 120.300 0.033 0.000 4.879 46 Y HA -0.243 4.306 4.550 -0.000 0.000 0.247 46 Y C -0.045 175.912 175.900 0.096 0.000 0.985 46 Y CA -0.075 58.002 58.100 -0.038 0.000 2.000 46 Y CB -2.261 36.138 38.460 -0.102 0.000 1.519 46 Y HN 0.123 nan 8.280 nan 0.000 0.613 47 N N 1.466 120.282 118.700 0.193 0.000 2.530 47 N HA 0.318 5.058 4.740 -0.000 0.000 0.273 47 N C 0.316 175.962 175.510 0.227 0.000 1.173 47 N CA 0.478 53.638 53.050 0.184 0.000 0.967 47 N CB 1.174 39.740 38.487 0.132 0.000 1.109 47 N HN 0.321 nan 8.380 nan 0.000 0.453 48 S N 0.049 115.892 115.700 0.237 0.000 2.564 48 S HA 0.095 4.565 4.470 -0.000 0.000 0.278 48 S C 1.013 175.730 174.600 0.195 0.000 1.333 48 S CA -0.675 57.683 58.200 0.263 0.000 1.048 48 S CB 0.668 64.026 63.200 0.263 0.000 0.900 48 S HN 0.604 nan 8.310 nan 0.000 0.505 49 c N 2.367 121.080 118.600 0.188 0.000 2.626 49 c HA 0.261 4.831 4.570 -0.000 0.000 0.266 49 c C 1.373 175.595 174.090 0.220 0.000 1.317 49 c CA 0.204 56.640 56.329 0.178 0.000 1.716 49 c CB -1.956 40.652 42.510 0.163 0.000 1.819 49 c HN 0.998 nan 8.230 nan 0.000 0.578 50 T N -1.520 113.161 114.554 0.211 0.000 2.912 50 T HA 0.700 5.050 4.350 -0.000 0.000 0.288 50 T C -0.872 173.923 174.700 0.159 0.000 1.030 50 T CA -0.417 61.811 62.100 0.213 0.000 1.020 50 T CB 2.044 71.044 68.868 0.220 0.000 1.056 50 T HN -0.137 nan 8.240 nan 0.000 0.480 51 V N 2.701 122.697 119.914 0.137 0.000 2.501 51 V HA 0.402 4.522 4.120 -0.000 0.000 0.277 51 V C -0.078 176.070 176.094 0.091 0.000 1.004 51 V CA -1.164 61.197 62.300 0.102 0.000 0.862 51 V CB 0.356 32.229 31.823 0.083 0.000 1.035 51 V HN 1.076 nan 8.190 nan 0.000 0.448 52 N N 3.519 122.270 118.700 0.084 0.000 2.735 52 N HA -0.231 4.508 4.740 -0.000 0.000 0.248 52 N C 1.232 176.788 175.510 0.077 0.000 1.083 52 N CA 1.447 54.539 53.050 0.070 0.000 0.703 52 N CB -0.924 37.597 38.487 0.057 0.000 1.005 52 N HN 1.526 nan 8.380 nan 0.000 0.550 53 G N -2.361 106.500 108.800 0.102 0.000 2.268 53 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.240 53 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.240 53 G C 0.582 175.579 174.900 0.161 0.000 1.010 53 G CA 0.757 45.930 45.100 0.121 0.000 0.618 53 G HN 0.855 nan 8.290 nan 0.000 0.516 54 G N -0.672 108.204 108.800 0.126 0.000 2.509 54 G HA2 0.755 4.715 3.960 -0.000 0.000 0.269 54 G HA3 0.755 4.715 3.960 -0.000 0.000 0.269 54 G C 0.307 175.289 174.900 0.136 0.000 1.416 54 G CA 0.718 45.880 45.100 0.104 0.000 1.052 54 G HN 1.542 nan 8.290 nan 0.000 0.542 55 V N -2.209 117.745 119.914 0.067 0.000 3.019 55 V HA 0.565 4.685 4.120 -0.000 0.000 0.317 55 V C -0.165 175.971 176.094 0.069 0.000 1.094 55 V CA -1.506 60.845 62.300 0.085 0.000 1.000 55 V CB 1.919 33.719 31.823 -0.038 0.000 1.060 55 V HN 0.612 nan 8.190 nan 0.000 0.443 56 N N 1.444 120.198 118.700 0.090 0.000 2.415 56 N HA 0.154 4.894 4.740 -0.000 0.000 0.246 56 N C 1.036 176.570 175.510 0.039 0.000 1.078 56 N CA 0.466 53.558 53.050 0.071 0.000 0.942 56 N CB 1.343 39.884 38.487 0.090 0.000 1.140 56 N HN 0.880 nan 8.380 nan 0.000 0.501 57 T N 2.331 116.899 114.554 0.023 0.000 2.685 57 T HA -0.164 4.185 4.350 -0.000 0.000 0.268 57 T C 1.463 176.165 174.700 0.003 0.000 1.034 57 T CA 2.254 64.356 62.100 0.004 0.000 1.149 57 T CB -0.131 68.740 68.868 0.005 0.000 0.860 57 T HN 0.592 nan 8.240 nan 0.000 0.449 58 T N 1.943 116.507 114.554 0.016 0.000 2.788 58 T HA 0.067 4.417 4.350 -0.000 0.000 0.268 58 T C 1.911 176.620 174.700 0.015 0.000 1.044 58 T CA 0.888 62.997 62.100 0.015 0.000 1.139 58 T CB -0.284 68.599 68.868 0.024 0.000 0.867 58 T HN 0.297 nan 8.240 nan 0.000 0.454 59 L N -0.575 120.665 121.223 0.028 0.000 2.416 59 L HA 0.228 4.568 4.340 -0.000 0.000 0.216 59 L C 0.803 177.684 176.870 0.019 0.000 1.098 59 L CA 0.245 55.103 54.840 0.031 0.000 0.840 59 L CB 0.301 42.395 42.059 0.058 0.000 0.981 59 L HN 0.227 nan 8.230 nan 0.000 0.462 60 c N 0.745 119.352 118.600 0.012 0.000 3.401 60 c HA 0.271 4.841 4.570 -0.000 0.000 0.204 60 c C -0.903 173.151 174.090 -0.061 0.000 1.522 60 c CA -0.849 55.469 56.329 -0.017 0.000 1.409 60 c CB 0.193 42.708 42.510 0.008 0.000 1.967 60 c HN 0.196 nan 8.230 nan 0.000 0.496 61 P HA -0.010 nan 4.420 nan 0.000 0.217 61 P C 0.211 177.455 177.300 -0.095 0.000 1.154 61 P CA 1.600 64.661 63.100 -0.065 0.000 0.841 61 P CB 0.612 32.282 31.700 -0.050 0.000 0.790 62 D N -0.898 119.431 120.400 -0.118 0.000 2.947 62 D HA 0.127 4.767 4.640 -0.000 0.000 0.211 62 D C 1.006 177.190 176.300 -0.192 0.000 1.326 62 D CA -0.262 53.648 54.000 -0.150 0.000 1.095 62 D CB -0.078 40.635 40.800 -0.145 0.000 1.206 62 D HN -0.134 nan 8.370 nan 0.000 0.619 63 E N -0.522 119.528 120.200 -0.251 0.000 2.288 63 E HA 0.355 4.705 4.350 -0.000 0.000 0.200 63 E C 1.869 178.155 176.600 -0.522 0.000 0.880 63 E CA 0.507 56.733 56.400 -0.290 0.000 0.971 63 E CB -0.262 29.294 29.700 -0.239 0.000 0.954 63 E HN 0.381 nan 8.360 nan 0.000 0.489 64 A N 1.017 123.342 122.820 -0.825 0.000 1.986 64 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 64 A C 2.166 179.493 177.584 -0.429 0.000 1.171 64 A CA 2.112 53.478 52.037 -1.119 0.000 0.640 64 A CB -1.010 17.578 19.000 -0.686 0.000 0.811 64 A HN 0.228 nan 8.150 nan 0.000 0.451 65 T N -0.780 113.614 114.554 -0.266 0.000 2.698 65 T HA -0.149 4.201 4.350 -0.000 0.000 0.260 65 T C 1.954 176.603 174.700 -0.085 0.000 1.044 65 T CA 1.542 63.562 62.100 -0.133 0.000 1.149 65 T CB -0.691 68.118 68.868 -0.099 0.000 0.864 65 T HN 0.613 nan 8.240 nan 0.000 0.419 66 c N 1.713 120.280 118.600 -0.055 0.000 2.413 66 c HA 0.032 4.602 4.570 -0.000 0.000 0.277 66 c C 3.035 177.128 174.090 0.006 0.000 1.265 66 c CA 0.219 56.563 56.329 0.024 0.000 1.752 66 c CB -1.715 40.895 42.510 0.166 0.000 1.998 66 c HN 0.736 nan 8.230 nan 0.000 0.489 67 G N 0.991 109.810 108.800 0.032 0.000 2.529 67 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.219 67 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.219 67 G C 1.647 176.537 174.900 -0.016 0.000 1.177 67 G CA 0.983 46.151 45.100 0.114 0.000 0.773 67 G HN 0.668 nan 8.290 nan 0.000 0.573 68 K N -0.036 120.345 120.400 -0.031 0.000 2.365 68 K HA 0.101 4.421 4.320 -0.000 0.000 0.197 68 K C 1.964 178.454 176.600 -0.183 0.000 1.042 68 K CA 0.472 56.707 56.287 -0.087 0.000 0.987 68 K CB 0.100 32.587 32.500 -0.021 0.000 0.779 68 K HN 0.148 nan 8.250 nan 0.000 0.484 69 N N 0.312 118.907 118.700 -0.175 0.000 2.322 69 N HA 0.011 4.751 4.740 -0.000 0.000 0.186 69 N C 0.357 175.697 175.510 -0.283 0.000 1.037 69 N CA 0.385 53.338 53.050 -0.161 0.000 0.869 69 N CB -0.037 38.417 38.487 -0.055 0.000 1.036 69 N HN 0.029 nan 8.380 nan 0.000 0.439 70 c N 1.030 119.467 118.600 -0.273 0.000 2.459 70 c HA 0.515 5.085 4.570 -0.000 0.000 0.374 70 c C -0.413 173.323 174.090 -0.591 0.000 1.241 70 c CA -0.684 55.478 56.329 -0.279 0.000 2.352 70 c CB -0.851 41.608 42.510 -0.086 0.000 2.490 70 c HN 0.171 nan 8.230 nan 0.000 0.583 71 F N 2.165 121.822 119.950 -0.488 0.000 2.518 71 F HA 0.533 5.060 4.527 -0.000 0.000 0.323 71 F C 0.273 175.617 175.800 -0.760 0.000 1.129 71 F CA -1.059 56.586 58.000 -0.592 0.000 0.920 71 F CB 0.722 39.339 39.000 -0.640 0.000 1.160 71 F HN 0.456 nan 8.300 nan 0.000 0.440 72 I N 0.340 120.563 120.570 -0.578 0.000 2.315 72 I HA 0.539 4.709 4.170 -0.000 0.000 0.291 72 I C -0.035 175.804 176.117 -0.464 0.000 1.006 72 I CA -0.511 60.397 61.300 -0.653 0.000 1.265 72 I CB 0.956 38.375 38.000 -0.969 0.000 1.387 72 I HN 0.413 nan 8.210 nan 0.000 0.475 73 E N 4.495 124.512 120.200 -0.306 0.000 2.342 73 E HA 0.368 4.718 4.350 -0.000 0.000 0.257 73 E C 0.367 177.085 176.600 0.196 0.000 1.150 73 E CA -0.302 56.072 56.400 -0.044 0.000 0.926 73 E CB 1.290 30.957 29.700 -0.055 0.000 1.074 73 E HN 0.874 nan 8.360 nan 0.000 0.449 74 G N -0.361 108.570 108.800 0.219 0.000 2.588 74 G HA2 0.454 4.414 3.960 -0.000 0.000 0.281 74 G HA3 0.454 4.414 3.960 -0.000 0.000 0.281 74 G C -0.205 174.755 174.900 0.099 0.000 1.236 74 G CA -0.205 44.967 45.100 0.120 0.000 0.969 74 G HN 0.309 nan 8.290 nan 0.000 0.504 75 V N -3.115 116.800 119.914 0.002 0.000 3.126 75 V HA 0.660 4.780 4.120 -0.000 0.000 0.314 75 V C -1.054 175.008 176.094 -0.053 0.000 1.138 75 V CA -1.118 61.140 62.300 -0.070 0.000 1.034 75 V CB 2.230 33.893 31.823 -0.268 0.000 1.075 75 V HN 0.526 nan 8.190 nan 0.000 0.442 76 D N 0.095 120.461 120.400 -0.057 0.000 2.500 76 D HA 0.310 4.950 4.640 -0.000 0.000 0.219 76 D C 0.545 176.831 176.300 -0.024 0.000 1.137 76 D CA -0.199 53.808 54.000 0.012 0.000 0.946 76 D CB 0.314 41.120 40.800 0.010 0.000 1.022 76 D HN 0.581 nan 8.370 nan 0.000 0.518 77 Y N 2.215 122.499 120.300 -0.027 0.000 2.139 77 Y HA -0.303 4.247 4.550 -0.000 0.000 0.282 77 Y C 2.456 178.335 175.900 -0.035 0.000 1.179 77 Y CA 1.758 59.834 58.100 -0.039 0.000 1.161 77 Y CB -0.440 37.990 38.460 -0.050 0.000 0.970 77 Y HN 0.533 nan 8.280 nan 0.000 0.511 78 A N 0.084 122.974 122.820 0.116 0.000 1.865 78 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 78 A C 2.432 180.034 177.584 0.030 0.000 1.191 78 A CA 2.037 54.107 52.037 0.055 0.000 0.623 78 A CB -1.358 17.665 19.000 0.039 0.000 0.826 78 A HN 0.415 nan 8.150 nan 0.000 0.444 79 A N -0.848 121.984 122.820 0.020 0.000 2.125 79 A HA 0.047 4.367 4.320 -0.000 0.000 0.219 79 A C 1.935 179.522 177.584 0.005 0.000 1.156 79 A CA 1.650 53.694 52.037 0.012 0.000 0.671 79 A CB -0.468 18.533 19.000 0.002 0.000 0.794 79 A HN 0.418 nan 8.150 nan 0.000 0.459 80 S N -0.994 114.693 115.700 -0.022 0.000 2.614 80 S HA 0.393 4.863 4.470 -0.000 0.000 0.230 80 S C 1.132 175.717 174.600 -0.026 0.000 0.952 80 S CA 0.364 58.535 58.200 -0.048 0.000 0.949 80 S CB -0.035 63.066 63.200 -0.165 0.000 0.786 80 S HN 1.500 nan 8.310 nan 0.000 0.478 81 G N 1.424 110.227 108.800 0.006 0.000 2.295 81 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.287 81 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.287 81 G C -0.193 174.706 174.900 -0.001 0.000 1.055 81 G CA 0.174 45.279 45.100 0.007 0.000 0.922 81 G HN 0.471 nan 8.290 nan 0.000 0.503 82 V N 0.602 120.530 119.914 0.023 0.000 2.525 82 V HA 0.846 4.966 4.120 -0.000 0.000 0.299 82 V C 0.181 176.299 176.094 0.040 0.000 1.034 82 V CA 0.085 62.412 62.300 0.045 0.000 0.863 82 V CB 2.087 34.006 31.823 0.161 0.000 0.999 82 V HN 0.904 nan 8.190 nan 0.000 0.423 83 T N 0.261 114.803 114.554 -0.021 0.000 2.923 83 T HA 0.796 5.146 4.350 -0.000 0.000 0.311 83 T C -0.497 174.158 174.700 -0.075 0.000 1.183 83 T CA -0.811 61.264 62.100 -0.042 0.000 1.020 83 T CB 2.130 70.971 68.868 -0.044 0.000 1.165 83 T HN 0.713 nan 8.240 nan 0.000 0.482 84 T N -1.698 112.808 114.554 -0.080 0.000 2.900 84 T HA 0.769 5.119 4.350 -0.000 0.000 0.295 84 T C -0.602 174.060 174.700 -0.064 0.000 1.044 84 T CA -0.928 61.120 62.100 -0.087 0.000 0.995 84 T CB 1.909 70.710 68.868 -0.112 0.000 1.072 84 T HN 0.727 nan 8.240 nan 0.000 0.473 85 S N 1.262 116.930 115.700 -0.052 0.000 2.496 85 S HA 0.598 5.067 4.470 -0.000 0.000 0.221 85 S C 0.964 175.550 174.600 -0.023 0.000 1.260 85 S CA 0.470 58.650 58.200 -0.035 0.000 1.181 85 S CB -0.394 62.788 63.200 -0.029 0.000 1.136 85 S HN 1.840 nan 8.310 nan 0.000 0.467 86 G N 3.680 112.465 108.800 -0.025 0.000 2.675 86 G HA2 -0.319 3.640 3.960 -0.000 0.000 0.312 86 G HA3 -0.319 3.640 3.960 -0.000 0.000 0.312 86 G C 0.624 175.508 174.900 -0.027 0.000 1.186 86 G CA 0.630 45.721 45.100 -0.015 0.000 0.965 86 G HN 1.855 nan 8.290 nan 0.000 0.548 87 S N -0.341 115.361 115.700 0.004 0.000 2.519 87 S HA 0.658 5.128 4.470 -0.000 0.000 0.245 87 S C -0.017 174.603 174.600 0.034 0.000 1.152 87 S CA 0.962 59.164 58.200 0.004 0.000 1.175 87 S CB 0.670 63.915 63.200 0.076 0.000 0.829 87 S HN 1.658 nan 8.310 nan 0.000 0.472 88 S N 1.149 116.848 115.700 -0.001 0.000 2.619 88 S HA 0.654 5.124 4.470 -0.000 0.000 0.280 88 S C -1.313 173.258 174.600 -0.049 0.000 1.150 88 S CA -0.686 57.514 58.200 0.002 0.000 0.978 88 S CB 1.240 64.445 63.200 0.008 0.000 1.041 88 S HN 0.555 nan 8.310 nan 0.000 0.485 89 L N 4.765 125.953 121.223 -0.058 0.000 2.322 89 L HA 0.778 5.118 4.340 -0.000 0.000 0.281 89 L C -0.675 176.135 176.870 -0.100 0.000 1.014 89 L CA 0.288 55.054 54.840 -0.122 0.000 0.815 89 L CB 1.991 43.892 42.059 -0.263 0.000 1.247 89 L HN 0.670 nan 8.230 nan 0.000 0.421 90 T N 6.325 120.817 114.554 -0.104 0.000 2.847 90 T HA 0.560 4.910 4.350 -0.000 0.000 0.291 90 T C -0.388 174.265 174.700 -0.080 0.000 0.998 90 T CA -0.291 61.747 62.100 -0.103 0.000 0.967 90 T CB 0.830 69.626 68.868 -0.121 0.000 0.954 90 T HN 0.517 nan 8.240 nan 0.000 0.441 91 M N 3.616 123.176 119.600 -0.066 0.000 2.181 91 M HA 0.412 4.892 4.480 -0.000 0.000 0.323 91 M C -0.128 176.176 176.300 0.008 0.000 1.004 91 M CA -0.774 54.511 55.300 -0.026 0.000 0.941 91 M CB 1.330 33.931 32.600 0.002 0.000 1.579 91 M HN 0.388 nan 8.290 nan 0.000 0.427 92 N N 1.693 120.399 118.700 0.010 0.000 2.509 92 N HA 0.135 4.874 4.740 -0.000 0.000 0.287 92 N C 0.274 175.774 175.510 -0.017 0.000 1.121 92 N CA -0.203 52.864 53.050 0.029 0.000 0.977 92 N CB 1.897 40.405 38.487 0.036 0.000 1.167 92 N HN 0.629 nan 8.380 nan 0.000 0.476 93 Q N 1.160 120.919 119.800 -0.068 0.000 2.354 93 Q HA 0.103 4.443 4.340 -0.000 0.000 0.203 93 Q C -0.891 174.847 176.000 -0.436 0.000 0.933 93 Q CA 1.336 56.975 55.803 -0.273 0.000 0.901 93 Q CB 0.247 28.752 28.738 -0.388 0.000 1.007 93 Q HN 0.596 nan 8.270 nan 0.000 0.495 94 Y N -1.234 119.071 120.300 0.008 0.000 2.615 94 Y HA 0.637 5.187 4.550 -0.000 0.000 0.341 94 Y C -0.510 175.423 175.900 0.056 0.000 1.089 94 Y CA -1.249 56.865 58.100 0.023 0.000 1.049 94 Y CB 1.630 40.053 38.460 -0.061 0.000 1.296 94 Y HN -0.125 nan 8.280 nan 0.000 0.470 95 M N 2.993 122.791 119.600 0.330 0.000 2.484 95 M HA 0.391 4.871 4.480 -0.000 0.000 0.289 95 M C -3.000 173.512 176.300 0.354 0.000 1.206 95 M CA -2.603 52.861 55.300 0.273 0.000 0.892 95 M CB 2.402 35.095 32.600 0.156 0.000 1.712 95 M HN 0.292 nan 8.290 nan 0.000 0.462 96 P HA 0.175 nan 4.420 nan 0.000 0.272 96 P C -0.625 176.685 177.300 0.016 0.000 1.223 96 P CA -0.052 63.087 63.100 0.065 0.000 0.784 96 P CB 1.024 32.724 31.700 0.000 0.000 0.923 97 S N 0.295 115.960 115.700 -0.059 0.000 2.600 97 S HA 0.354 4.824 4.470 -0.000 0.000 0.300 97 S C 1.358 175.926 174.600 -0.055 0.000 1.087 97 S CA -0.504 57.676 58.200 -0.032 0.000 0.965 97 S CB 0.957 64.149 63.200 -0.013 0.000 1.089 97 S HN 0.333 nan 8.310 nan 0.000 0.496 98 S N 2.098 117.775 115.700 -0.039 0.000 2.356 98 S HA -0.064 4.405 4.470 -0.000 0.000 0.223 98 S C 1.809 176.382 174.600 -0.046 0.000 1.032 98 S CA 1.573 59.747 58.200 -0.042 0.000 1.005 98 S CB -0.498 62.680 63.200 -0.037 0.000 0.867 98 S HN 0.673 nan 8.310 nan 0.000 0.449 99 S N 1.217 116.893 115.700 -0.039 0.000 2.407 99 S HA 0.174 4.644 4.470 -0.000 0.000 0.192 99 S C 1.567 176.139 174.600 -0.047 0.000 1.169 99 S CA 0.750 58.928 58.200 -0.036 0.000 1.496 99 S CB -1.094 62.091 63.200 -0.025 0.000 0.918 99 S HN 0.611 nan 8.310 nan 0.000 0.388 100 G N 0.010 108.783 108.800 -0.044 0.000 2.624 100 G HA2 0.466 4.426 3.960 -0.000 0.000 0.217 100 G HA3 0.466 4.426 3.960 -0.000 0.000 0.217 100 G C 0.884 175.715 174.900 -0.114 0.000 1.506 100 G CA 0.107 45.171 45.100 -0.060 0.000 1.072 100 G HN 0.566 nan 8.290 nan 0.000 0.568 101 G N -1.286 107.427 108.800 -0.144 0.000 2.535 101 G HA2 0.339 4.298 3.960 -0.000 0.000 0.210 101 G HA3 0.339 4.298 3.960 -0.000 0.000 0.210 101 G C -0.512 174.159 174.900 -0.381 0.000 1.593 101 G CA -0.035 44.871 45.100 -0.323 0.000 0.948 101 G HN 0.381 nan 8.290 nan 0.000 0.476 102 Y N 0.451 120.724 120.300 -0.045 0.000 2.360 102 Y HA 0.537 5.087 4.550 -0.000 0.000 0.337 102 Y C 0.444 176.364 175.900 0.034 0.000 1.039 102 Y CA -1.011 57.077 58.100 -0.020 0.000 1.109 102 Y CB 2.108 40.505 38.460 -0.106 0.000 1.201 102 Y HN 0.342 nan 8.280 nan 0.000 0.458 103 S N 0.470 116.336 115.700 0.277 0.000 2.509 103 S HA 0.394 4.864 4.470 -0.000 0.000 0.297 103 S C -0.159 174.662 174.600 0.368 0.000 1.118 103 S CA -0.948 57.400 58.200 0.246 0.000 1.074 103 S CB 1.601 64.892 63.200 0.151 0.000 1.038 103 S HN 0.602 nan 8.310 nan 0.000 0.498 104 S N 3.021 118.949 115.700 0.381 0.000 2.700 104 S HA 0.284 4.754 4.470 -0.000 0.000 0.321 104 S C 0.187 174.856 174.600 0.116 0.000 1.161 104 S CA -0.736 57.628 58.200 0.272 0.000 1.078 104 S CB -1.634 61.689 63.200 0.205 0.000 1.302 104 S HN 1.103 nan 8.310 nan 0.000 0.540 105 V N 3.595 123.565 119.914 0.095 0.000 2.498 105 V HA 0.648 4.768 4.120 -0.000 0.000 0.279 105 V C 0.355 176.481 176.094 0.053 0.000 1.048 105 V CA -0.460 61.895 62.300 0.093 0.000 0.967 105 V CB 1.241 33.109 31.823 0.075 0.000 0.988 105 V HN 0.668 nan 8.190 nan 0.000 0.473 106 S N 6.656 122.444 115.700 0.147 0.000 2.259 106 S HA 0.554 5.024 4.470 -0.000 0.000 0.181 106 S C -2.377 172.288 174.600 0.107 0.000 1.589 106 S CA -1.234 57.051 58.200 0.142 0.000 1.234 106 S CB 0.555 63.877 63.200 0.202 0.000 1.119 106 S HN 0.854 nan 8.310 nan 0.000 0.458 107 P HA 0.279 nan 4.420 nan 0.000 0.269 107 P C -0.739 176.410 177.300 -0.251 0.000 1.209 107 P CA -0.184 62.720 63.100 -0.327 0.000 0.776 107 P CB 0.334 31.923 31.700 -0.184 0.000 0.876 108 R N 2.544 122.762 120.500 -0.470 0.000 2.507 108 R HA 0.493 4.833 4.340 -0.000 0.000 0.298 108 R C -1.289 174.677 176.300 -0.557 0.000 1.087 108 R CA -0.371 55.508 56.100 -0.368 0.000 0.917 108 R CB 0.076 30.215 30.300 -0.269 0.000 1.173 108 R HN 0.370 nan 8.270 nan 0.000 0.472 109 L N 3.730 124.710 121.223 -0.406 0.000 2.334 109 L HA 0.631 4.971 4.340 -0.000 0.000 0.270 109 L C -0.891 175.688 176.870 -0.484 0.000 1.018 109 L CA -1.175 53.464 54.840 -0.335 0.000 0.811 109 L CB 1.277 43.354 42.059 0.030 0.000 1.271 109 L HN 0.499 nan 8.230 nan 0.000 0.443 110 Y N 0.771 121.175 120.300 0.173 0.000 2.442 110 Y HA 0.381 4.931 4.550 -0.000 0.000 0.344 110 Y C -0.445 175.568 175.900 0.188 0.000 0.976 110 Y CA -1.153 56.995 58.100 0.080 0.000 1.040 110 Y CB 1.766 40.248 38.460 0.037 0.000 1.228 110 Y HN 0.231 nan 8.280 nan 0.000 0.451 111 L N 4.561 125.957 121.223 0.287 0.000 2.407 111 L HA 0.330 4.670 4.340 -0.000 0.000 0.282 111 L C -0.795 176.206 176.870 0.219 0.000 1.110 111 L CA -0.043 54.941 54.840 0.241 0.000 0.863 111 L CB -0.438 41.710 42.059 0.148 0.000 1.207 111 L HN 0.613 nan 8.230 nan 0.000 0.454 112 L N 4.578 125.884 121.223 0.138 0.000 2.357 112 L HA 0.458 4.798 4.340 -0.000 0.000 0.273 112 L C -0.240 176.624 176.870 -0.009 0.000 1.080 112 L CA 0.013 54.869 54.840 0.026 0.000 0.803 112 L CB 1.387 43.320 42.059 -0.210 0.000 1.174 112 L HN 0.659 nan 8.230 nan 0.000 0.443 113 D N 0.573 120.962 120.400 -0.018 0.000 2.326 113 D HA 0.227 4.867 4.640 -0.000 0.000 0.251 113 D C 0.952 177.234 176.300 -0.029 0.000 1.023 113 D CA 0.086 54.089 54.000 0.005 0.000 0.966 113 D CB 2.102 42.924 40.800 0.036 0.000 1.156 113 D HN 0.560 nan 8.370 nan 0.000 0.494 114 S N 0.674 116.370 115.700 -0.006 0.000 2.407 114 S HA -0.252 4.218 4.470 -0.000 0.000 0.235 114 S C 1.053 175.648 174.600 -0.009 0.000 1.036 114 S CA 2.134 60.330 58.200 -0.007 0.000 1.013 114 S CB -0.464 62.740 63.200 0.006 0.000 0.820 114 S HN 0.632 nan 8.310 nan 0.000 0.476 115 D N -0.510 119.885 120.400 -0.009 0.000 2.363 115 D HA 0.217 4.856 4.640 -0.000 0.000 0.226 115 D C 1.237 177.524 176.300 -0.022 0.000 1.020 115 D CA 0.825 54.820 54.000 -0.008 0.000 0.892 115 D CB -0.960 39.838 40.800 -0.002 0.000 0.900 115 D HN 0.517 nan 8.370 nan 0.000 0.531 116 G N -0.338 108.434 108.800 -0.047 0.000 2.142 116 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.225 116 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.225 116 G C -0.343 174.481 174.900 -0.127 0.000 1.015 116 G CA -0.069 44.989 45.100 -0.070 0.000 0.716 116 G HN 0.461 nan 8.290 nan 0.000 0.508 117 E N -0.984 119.132 120.200 -0.140 0.000 2.314 117 E HA 0.478 4.828 4.350 -0.000 0.000 0.272 117 E C -0.615 175.899 176.600 -0.143 0.000 0.884 117 E CA -1.221 55.063 56.400 -0.193 0.000 0.753 117 E CB 1.345 30.993 29.700 -0.086 0.000 1.213 117 E HN 0.162 nan 8.360 nan 0.000 0.432 118 Y N 0.432 120.721 120.300 -0.019 0.000 2.811 118 Y HA -0.062 4.488 4.550 -0.000 0.000 0.334 118 Y C 0.639 176.516 175.900 -0.039 0.000 1.247 118 Y CA -0.163 57.917 58.100 -0.032 0.000 1.526 118 Y CB 0.006 38.428 38.460 -0.064 0.000 1.284 118 Y HN 0.192 nan 8.280 nan 0.000 0.586 119 V N 5.793 125.786 119.914 0.132 0.000 2.493 119 V HA -0.079 4.041 4.120 -0.000 0.000 0.292 119 V C 0.466 176.543 176.094 -0.028 0.000 1.016 119 V CA -0.140 62.189 62.300 0.049 0.000 1.097 119 V CB -0.079 31.756 31.823 0.020 0.000 0.947 119 V HN 0.566 nan 8.190 nan 0.000 0.479 120 M N 6.429 126.023 119.600 -0.010 0.000 2.974 120 M HA 0.303 4.783 4.480 -0.000 0.000 0.301 120 M C -0.256 175.979 176.300 -0.109 0.000 1.409 120 M CA -0.141 55.128 55.300 -0.052 0.000 1.515 120 M CB -0.304 32.291 32.600 -0.008 0.000 1.163 120 M HN 0.419 nan 8.290 nan 0.000 0.520 121 L N 3.184 124.251 121.223 -0.261 0.000 2.513 121 L HA 0.029 4.369 4.340 -0.000 0.000 0.272 121 L C 0.653 177.401 176.870 -0.203 0.000 1.187 121 L CA 0.528 55.134 54.840 -0.389 0.000 0.895 121 L CB -0.053 41.641 42.059 -0.608 0.000 1.147 121 L HN 0.486 nan 8.230 nan 0.000 0.483 122 K N 5.334 125.680 120.400 -0.089 0.000 2.423 122 K HA 0.305 4.625 4.320 -0.000 0.000 0.234 122 K C 0.479 177.079 176.600 -0.000 0.000 1.051 122 K CA -0.237 56.027 56.287 -0.039 0.000 1.021 122 K CB 0.906 33.419 32.500 0.021 0.000 1.474 122 K HN 0.567 nan 8.250 nan 0.000 0.474 123 L N 1.017 122.189 121.223 -0.085 0.000 2.591 123 L HA 0.065 4.404 4.340 -0.000 0.000 0.228 123 L C 0.561 177.418 176.870 -0.021 0.000 1.133 123 L CA -0.256 54.575 54.840 -0.014 0.000 0.880 123 L CB -0.401 41.609 42.059 -0.082 0.000 1.033 123 L HN 0.472 nan 8.230 nan 0.000 0.450 124 N N 1.407 120.063 118.700 -0.074 0.000 2.440 124 N HA 0.123 4.862 4.740 -0.000 0.000 0.265 124 N C 1.113 176.674 175.510 0.085 0.000 1.239 124 N CA 1.100 54.136 53.050 -0.023 0.000 0.909 124 N CB 0.576 39.041 38.487 -0.037 0.000 1.066 124 N HN 0.276 nan 8.380 nan 0.000 0.474 125 G N 1.560 110.450 108.800 0.149 0.000 2.221 125 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.265 125 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.265 125 G C -0.030 174.962 174.900 0.155 0.000 1.041 125 G CA 0.607 45.790 45.100 0.139 0.000 0.807 125 G HN 0.671 nan 8.290 nan 0.000 0.502 126 Q N -1.174 118.766 119.800 0.232 0.000 3.078 126 Q HA 0.644 4.984 4.340 -0.000 0.000 0.348 126 Q C -0.467 175.693 176.000 0.267 0.000 0.861 126 Q CA -0.584 55.353 55.803 0.224 0.000 0.822 126 Q CB 1.341 30.217 28.738 0.229 0.000 1.395 126 Q HN 0.603 nan 8.270 nan 0.000 0.497 127 E N 0.409 120.759 120.200 0.250 0.000 2.321 127 E HA 0.579 4.929 4.350 -0.000 0.000 0.278 127 E C -1.754 175.022 176.600 0.294 0.000 0.902 127 E CA -0.796 55.729 56.400 0.209 0.000 0.758 127 E CB 1.760 31.519 29.700 0.099 0.000 1.213 127 E HN 0.283 nan 8.360 nan 0.000 0.426 128 L N 1.974 123.377 121.223 0.301 0.000 2.322 128 L HA 0.677 5.017 4.340 -0.000 0.000 0.281 128 L C -1.170 175.893 176.870 0.323 0.000 1.014 128 L CA -0.153 54.919 54.840 0.385 0.000 0.815 128 L CB 1.884 44.173 42.059 0.382 0.000 1.247 128 L HN 0.662 nan 8.230 nan 0.000 0.421 129 S N 4.383 120.295 115.700 0.352 0.000 2.536 129 S HA 0.915 5.385 4.470 -0.000 0.000 0.287 129 S C -1.112 173.712 174.600 0.373 0.000 1.101 129 S CA -0.423 57.919 58.200 0.236 0.000 0.950 129 S CB 0.774 64.052 63.200 0.130 0.000 1.056 129 S HN 0.580 nan 8.310 nan 0.000 0.481 130 F N 0.479 120.529 119.950 0.166 0.000 2.779 130 F HA 0.694 5.220 4.527 -0.000 0.000 0.316 130 F C -1.450 174.430 175.800 0.132 0.000 1.164 130 F CA -1.079 57.024 58.000 0.171 0.000 0.924 130 F CB 0.699 39.809 39.000 0.184 0.000 1.348 130 F HN 0.290 nan 8.300 nan 0.000 0.467 131 D N 1.724 122.315 120.400 0.319 0.000 2.256 131 D HA 0.581 5.221 4.640 -0.000 0.000 0.246 131 D C -0.838 175.593 176.300 0.219 0.000 1.042 131 D CA -0.162 53.914 54.000 0.126 0.000 0.841 131 D CB 2.500 43.362 40.800 0.104 0.000 1.223 131 D HN 0.685 nan 8.370 nan 0.000 0.470 132 V N -0.882 118.993 119.914 -0.066 0.000 2.914 132 V HA 0.598 4.718 4.120 -0.000 0.000 0.314 132 V C -0.716 175.233 176.094 -0.242 0.000 1.084 132 V CA -0.902 61.355 62.300 -0.071 0.000 0.963 132 V CB 2.536 34.349 31.823 -0.016 0.000 1.025 132 V HN 0.302 nan 8.190 nan 0.000 0.432 133 D N 2.429 122.740 120.400 -0.149 0.000 2.412 133 D HA 0.406 5.046 4.640 -0.000 0.000 0.276 133 D C 0.700 176.937 176.300 -0.104 0.000 1.196 133 D CA -0.303 53.639 54.000 -0.097 0.000 0.905 133 D CB 0.798 41.566 40.800 -0.054 0.000 1.081 133 D HN 0.595 nan 8.370 nan 0.000 0.502 134 L N 1.277 122.481 121.223 -0.031 0.000 2.610 134 L HA -0.034 4.306 4.340 -0.000 0.000 0.232 134 L C 2.271 179.106 176.870 -0.057 0.000 1.149 134 L CA 0.372 55.206 54.840 -0.012 0.000 0.872 134 L CB -0.567 41.577 42.059 0.141 0.000 0.992 134 L HN 0.278 nan 8.230 nan 0.000 0.447 135 S N 1.095 116.757 115.700 -0.063 0.000 2.389 135 S HA -0.329 4.141 4.470 -0.000 0.000 0.231 135 S C 2.151 176.668 174.600 -0.139 0.000 1.052 135 S CA 1.398 59.546 58.200 -0.085 0.000 1.053 135 S CB -0.427 62.732 63.200 -0.068 0.000 0.886 135 S HN 0.451 nan 8.310 nan 0.000 0.456 136 A N 2.378 125.053 122.820 -0.243 0.000 1.854 136 A HA 0.319 4.639 4.320 -0.000 0.000 0.214 136 A C 1.266 178.726 177.584 -0.208 0.000 1.192 136 A CA 0.589 52.438 52.037 -0.314 0.000 0.611 136 A CB -0.857 17.718 19.000 -0.709 0.000 0.832 136 A HN 0.569 nan 8.150 nan 0.000 0.442 137 L N 2.125 123.236 121.223 -0.187 0.000 2.654 137 L HA 0.115 4.455 4.340 -0.000 0.000 0.271 137 L C -1.983 174.827 176.870 -0.100 0.000 1.169 137 L CA -1.152 53.610 54.840 -0.130 0.000 0.947 137 L CB -0.147 41.849 42.059 -0.104 0.000 1.232 137 L HN 0.315 nan 8.230 nan 0.000 0.486 138 P HA 0.186 nan 4.420 nan 0.000 0.325 138 P C -0.642 176.599 177.300 -0.098 0.000 1.298 138 P CA -1.012 62.036 63.100 -0.086 0.000 0.771 138 P CB 0.838 32.492 31.700 -0.078 0.000 1.389 139 c N -0.399 118.144 118.600 -0.096 0.000 2.590 139 c HA 0.395 4.964 4.570 -0.000 0.000 0.411 139 c C 1.924 175.940 174.090 -0.124 0.000 1.420 139 c CA 2.174 58.434 56.329 -0.115 0.000 1.643 139 c CB -1.408 41.040 42.510 -0.103 0.000 2.528 139 c HN 0.952 nan 8.230 nan 0.000 0.606 140 G N 2.752 111.453 108.800 -0.164 0.000 2.279 140 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.223 140 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.223 140 G C 0.037 174.804 174.900 -0.222 0.000 1.015 140 G CA -0.109 44.893 45.100 -0.164 0.000 0.621 140 G HN 0.643 nan 8.290 nan 0.000 0.506 141 E N 0.916 120.992 120.200 -0.205 0.000 2.373 141 E HA 0.342 4.692 4.350 -0.000 0.000 0.263 141 E C -0.222 176.172 176.600 -0.343 0.000 1.073 141 E CA -0.344 55.911 56.400 -0.242 0.000 0.894 141 E CB 0.883 30.486 29.700 -0.163 0.000 1.008 141 E HN 0.462 nan 8.360 nan 0.000 0.420 142 N N 1.050 119.474 118.700 -0.460 0.000 2.623 142 N HA 0.243 4.983 4.740 -0.000 0.000 0.256 142 N C -0.579 174.805 175.510 -0.210 0.000 1.045 142 N CA -0.279 52.474 53.050 -0.495 0.000 0.863 142 N CB 0.957 38.767 38.487 -1.129 0.000 1.182 142 N HN 0.429 nan 8.380 nan 0.000 0.523 143 G N 1.140 109.930 108.800 -0.015 0.000 2.467 143 G HA2 0.396 4.356 3.960 -0.000 0.000 0.257 143 G HA3 0.396 4.356 3.960 -0.000 0.000 0.257 143 G C -0.730 174.357 174.900 0.312 0.000 1.227 143 G CA -0.007 45.193 45.100 0.167 0.000 0.835 143 G HN 0.405 nan 8.290 nan 0.000 0.556 144 S N 0.022 115.988 115.700 0.443 0.000 2.572 144 S HA 0.462 4.931 4.470 -0.000 0.000 0.274 144 S C -1.515 173.118 174.600 0.056 0.000 1.150 144 S CA -0.490 57.926 58.200 0.361 0.000 0.944 144 S CB 1.732 65.253 63.200 0.534 0.000 1.071 144 S HN 0.650 nan 8.310 nan 0.000 0.479 145 L N 5.174 126.338 121.223 -0.097 0.000 2.471 145 L HA 0.691 5.031 4.340 -0.000 0.000 0.263 145 L C -1.674 175.065 176.870 -0.218 0.000 0.985 145 L CA -0.393 54.134 54.840 -0.521 0.000 0.868 145 L CB 0.330 41.839 42.059 -0.916 0.000 1.203 145 L HN 0.710 nan 8.230 nan 0.000 0.429 146 Y N 2.859 123.020 120.300 -0.232 0.000 2.588 146 Y HA 0.815 5.365 4.550 -0.000 0.000 0.343 146 Y C -1.673 174.122 175.900 -0.174 0.000 1.065 146 Y CA -1.828 56.197 58.100 -0.125 0.000 1.038 146 Y CB 1.121 39.563 38.460 -0.031 0.000 1.297 146 Y HN 0.324 nan 8.280 nan 0.000 0.467 147 L N 2.561 123.833 121.223 0.082 0.000 2.309 147 L HA 0.712 5.051 4.340 -0.000 0.000 0.282 147 L C -0.208 176.674 176.870 0.022 0.000 1.036 147 L CA -0.458 54.355 54.840 -0.046 0.000 0.806 147 L CB 1.811 43.806 42.059 -0.108 0.000 1.220 147 L HN 0.720 nan 8.230 nan 0.000 0.429 148 S N 0.956 116.619 115.700 -0.062 0.000 2.513 148 S HA 0.295 4.765 4.470 -0.000 0.000 0.299 148 S C -0.452 174.019 174.600 -0.216 0.000 1.087 148 S CA -0.627 57.487 58.200 -0.143 0.000 1.012 148 S CB 1.899 64.987 63.200 -0.187 0.000 1.044 148 S HN 0.576 nan 8.310 nan 0.000 0.485 149 Q N 3.013 122.684 119.800 -0.215 0.000 3.027 149 Q HA 0.262 4.602 4.340 -0.000 0.000 0.260 149 Q C -0.622 175.263 176.000 -0.192 0.000 1.379 149 Q CA 0.026 55.725 55.803 -0.174 0.000 1.038 149 Q CB -0.202 28.464 28.738 -0.121 0.000 1.578 149 Q HN 0.589 nan 8.270 nan 0.000 0.571 150 M N 0.306 119.759 119.600 -0.246 0.000 2.368 150 M HA 0.224 4.703 4.480 -0.000 0.000 0.311 150 M C -0.128 176.126 176.300 -0.077 0.000 1.168 150 M CA -0.684 54.472 55.300 -0.241 0.000 1.044 150 M CB 0.760 33.105 32.600 -0.426 0.000 1.506 150 M HN 0.251 nan 8.290 nan 0.000 0.475 151 D N 0.948 121.362 120.400 0.024 0.000 2.371 151 D HA -0.007 4.633 4.640 -0.000 0.000 0.256 151 D C 1.181 177.571 176.300 0.149 0.000 1.193 151 D CA -0.019 54.027 54.000 0.077 0.000 0.881 151 D CB 0.821 41.677 40.800 0.094 0.000 1.143 151 D HN 0.669 nan 8.370 nan 0.000 0.473 152 E N 2.656 122.928 120.200 0.121 0.000 2.208 152 E HA -0.375 3.974 4.350 -0.000 0.000 0.202 152 E C 0.645 177.298 176.600 0.090 0.000 1.014 152 E CA 1.037 57.534 56.400 0.162 0.000 0.819 152 E CB -0.229 29.512 29.700 0.068 0.000 0.735 152 E HN 0.312 nan 8.360 nan 0.000 0.469 153 N N 0.157 118.881 118.700 0.041 0.000 2.458 153 N HA 0.128 4.868 4.740 -0.000 0.000 0.274 153 N C 0.023 175.542 175.510 0.015 0.000 1.242 153 N CA 0.500 53.525 53.050 -0.042 0.000 0.904 153 N CB 0.536 39.010 38.487 -0.022 0.000 1.206 153 N HN 0.332 nan 8.380 nan 0.000 0.510 154 G N 0.337 109.222 108.800 0.141 0.000 2.379 154 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.297 154 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.297 154 G C 1.027 175.985 174.900 0.096 0.000 1.004 154 G CA 0.655 45.878 45.100 0.206 0.000 0.921 154 G HN 1.042 nan 8.290 nan 0.000 0.511 155 G N -1.562 107.287 108.800 0.081 0.000 2.233 155 G HA2 0.094 4.054 3.960 -0.000 0.000 0.270 155 G HA3 0.094 4.054 3.960 -0.000 0.000 0.270 155 G C 0.867 175.781 174.900 0.023 0.000 1.011 155 G CA 1.174 46.303 45.100 0.047 0.000 0.762 155 G HN 2.363 nan 8.290 nan 0.000 0.511 156 A N -0.142 122.694 122.820 0.027 0.000 2.548 156 A HA 0.501 4.821 4.320 -0.000 0.000 0.247 156 A C 0.838 178.423 177.584 0.002 0.000 1.067 156 A CA 0.977 53.029 52.037 0.026 0.000 0.757 156 A CB -0.086 18.936 19.000 0.035 0.000 0.996 156 A HN 1.199 nan 8.150 nan 0.000 0.504 157 N N 1.199 119.895 118.700 -0.006 0.000 3.427 157 N HA 0.260 5.000 4.740 -0.000 0.000 0.364 157 N C 0.565 175.997 175.510 -0.130 0.000 1.538 157 N CA -0.775 52.242 53.050 -0.056 0.000 0.662 157 N CB 0.513 38.977 38.487 -0.037 0.000 1.881 157 N HN 0.529 nan 8.380 nan 0.000 0.634 158 Q N -1.192 118.432 119.800 -0.293 0.000 2.230 158 Q HA -0.046 4.294 4.340 -0.000 0.000 0.202 158 Q C 0.549 176.228 176.000 -0.536 0.000 0.963 158 Q CA 1.428 56.941 55.803 -0.483 0.000 0.866 158 Q CB -0.077 28.203 28.738 -0.764 0.000 0.931 158 Q HN 0.581 nan 8.270 nan 0.000 0.452 159 Y N -0.898 119.403 120.300 0.002 0.000 2.449 159 Y HA 0.181 4.731 4.550 -0.000 0.000 0.254 159 Y C 0.514 176.435 175.900 0.035 0.000 1.140 159 Y CA -0.315 57.790 58.100 0.008 0.000 1.272 159 Y CB 0.493 38.964 38.460 0.018 0.000 1.114 159 Y HN -0.040 nan 8.280 nan 0.000 0.525 160 N N -0.024 118.747 118.700 0.118 0.000 2.573 160 N HA 0.135 4.875 4.740 -0.000 0.000 0.262 160 N C -0.127 175.423 175.510 0.067 0.000 1.029 160 N CA 0.077 53.206 53.050 0.131 0.000 0.882 160 N CB 1.292 39.859 38.487 0.134 0.000 1.204 160 N HN -0.032 nan 8.380 nan 0.000 0.519 161 T N 0.791 115.366 114.554 0.035 0.000 3.044 161 T HA 0.158 4.507 4.350 -0.000 0.000 0.250 161 T C 1.687 176.414 174.700 0.046 0.000 1.081 161 T CA 0.532 62.642 62.100 0.017 0.000 1.040 161 T CB 0.400 69.258 68.868 -0.016 0.000 0.962 161 T HN 0.526 nan 8.240 nan 0.000 0.506 162 A N 1.605 124.452 122.820 0.045 0.000 1.841 162 A HA 0.429 4.749 4.320 -0.000 0.000 0.214 162 A C 1.935 179.699 177.584 0.300 0.000 1.195 162 A CA 1.457 53.531 52.037 0.062 0.000 0.611 162 A CB -1.346 17.544 19.000 -0.184 0.000 0.835 162 A HN 0.714 nan 8.150 nan 0.000 0.443 163 G N -1.625 107.351 108.800 0.293 0.000 2.574 163 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.282 163 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.282 163 G C 1.270 176.300 174.900 0.218 0.000 1.257 163 G CA 1.536 46.756 45.100 0.201 0.000 0.956 163 G HN 1.605 nan 8.290 nan 0.000 0.560 164 A N -0.624 122.172 122.820 -0.040 0.000 2.070 164 A HA -0.037 4.282 4.320 -0.000 0.000 0.220 164 A C 2.136 179.669 177.584 -0.085 0.000 1.159 164 A CA 2.172 53.977 52.037 -0.386 0.000 0.656 164 A CB -0.439 17.878 19.000 -1.138 0.000 0.800 164 A HN 0.652 nan 8.150 nan 0.000 0.453 165 N N -1.451 117.308 118.700 0.098 0.000 2.453 165 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 165 N C -0.148 175.441 175.510 0.131 0.000 1.041 165 N CA 1.079 54.235 53.050 0.176 0.000 0.900 165 N CB -0.157 38.464 38.487 0.223 0.000 0.961 165 N HN 0.660 nan 8.380 nan 0.000 0.443 166 Y N -0.884 119.573 120.300 0.262 0.000 2.715 166 Y HA 0.327 4.877 4.550 -0.000 0.000 0.255 166 Y C 1.152 177.306 175.900 0.423 0.000 1.139 166 Y CA -0.488 57.769 58.100 0.262 0.000 1.151 166 Y CB 0.435 38.943 38.460 0.081 0.000 1.201 166 Y HN -0.073 nan 8.280 nan 0.000 0.556 167 G N 0.999 110.164 108.800 0.609 0.000 2.323 167 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.292 167 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.292 167 G C 0.257 175.586 174.900 0.714 0.000 1.040 167 G CA 0.647 46.212 45.100 0.775 0.000 0.942 167 G HN 0.375 nan 8.290 nan 0.000 0.506 168 S N -0.795 115.265 115.700 0.601 0.000 2.601 168 S HA 0.607 5.077 4.470 -0.000 0.000 0.271 168 S C 1.417 176.105 174.600 0.146 0.000 1.305 168 S CA 1.158 59.518 58.200 0.266 0.000 1.022 168 S CB 0.901 64.149 63.200 0.080 0.000 0.940 168 S HN 2.202 nan 8.310 nan 0.000 0.525 169 G N 2.382 111.178 108.800 -0.006 0.000 2.248 169 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.263 169 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.263 169 G C -0.329 174.514 174.900 -0.094 0.000 1.082 169 G CA 0.311 45.439 45.100 0.047 0.000 0.863 169 G HN 0.859 nan 8.290 nan 0.000 0.495 170 Y N 0.114 120.296 120.300 -0.197 0.000 2.296 170 Y HA 0.502 5.052 4.550 -0.000 0.000 0.343 170 Y C 1.008 176.565 175.900 -0.572 0.000 1.292 170 Y CA 0.005 57.914 58.100 -0.317 0.000 1.490 170 Y CB 0.832 39.268 38.460 -0.040 0.000 1.359 170 Y HN 1.190 nan 8.280 nan 0.000 0.599 171 c N 2.179 119.753 118.600 -1.709 0.000 3.197 171 c HA 0.704 5.274 4.570 -0.000 0.000 0.343 171 c C -1.842 171.472 174.090 -1.294 0.000 1.291 171 c CA -0.599 54.857 56.329 -1.455 0.000 1.191 171 c CB 0.854 42.305 42.510 -1.765 0.000 1.444 171 c HN 1.093 nan 8.230 nan 0.000 0.468 172 D N -0.006 119.944 120.400 -0.750 0.000 2.713 172 D HA 0.612 5.252 4.640 -0.000 0.000 0.306 172 D C 0.570 176.657 176.300 -0.354 0.000 1.299 172 D CA -0.092 53.596 54.000 -0.520 0.000 0.823 172 D CB 0.973 41.504 40.800 -0.448 0.000 1.353 172 D HN 1.332 nan 8.370 nan 0.000 0.447 173 A N -0.693 121.916 122.820 -0.351 0.000 2.070 173 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 173 A C 1.623 179.093 177.584 -0.189 0.000 1.159 173 A CA 1.291 53.177 52.037 -0.251 0.000 0.656 173 A CB -0.714 18.131 19.000 -0.258 0.000 0.800 173 A HN 0.422 nan 8.150 nan 0.000 0.453 174 Q N -1.596 118.077 119.800 -0.211 0.000 2.437 174 Q HA -0.034 4.306 4.340 -0.000 0.000 0.210 174 Q C 0.691 176.633 176.000 -0.096 0.000 0.972 174 Q CA 0.692 56.409 55.803 -0.143 0.000 0.903 174 Q CB -1.054 27.596 28.738 -0.148 0.000 0.967 174 Q HN 0.699 nan 8.270 nan 0.000 0.486 175 c N 1.821 120.361 118.600 -0.100 0.000 3.896 175 c HA -0.108 4.462 4.570 -0.000 0.000 0.300 175 c C -1.959 172.128 174.090 -0.006 0.000 1.322 175 c CA -0.962 55.345 56.329 -0.037 0.000 2.130 175 c CB -2.200 40.298 42.510 -0.020 0.000 1.363 175 c HN 0.342 nan 8.230 nan 0.000 0.642 176 P HA 0.353 nan 4.420 nan 0.000 0.271 176 P C 0.030 177.370 177.300 0.066 0.000 1.216 176 P CA 0.556 63.671 63.100 0.024 0.000 0.771 176 P CB 0.721 32.442 31.700 0.035 0.000 0.864 177 V N 2.074 122.020 119.914 0.052 0.000 2.488 177 V HA 0.322 4.442 4.120 -0.000 0.000 0.277 177 V C 0.282 176.412 176.094 0.060 0.000 1.046 177 V CA -0.299 62.033 62.300 0.053 0.000 0.986 177 V CB -0.014 31.835 31.823 0.045 0.000 0.989 177 V HN 0.493 nan 8.190 nan 0.000 0.475 178 Q N 2.276 122.113 119.800 0.063 0.000 2.433 178 Q HA 0.451 4.791 4.340 -0.000 0.000 0.279 178 Q C 0.714 176.725 176.000 0.019 0.000 1.105 178 Q CA -0.673 55.179 55.803 0.082 0.000 0.815 178 Q CB 2.195 31.023 28.738 0.150 0.000 1.403 178 Q HN 0.704 nan 8.270 nan 0.000 0.435 179 T N -0.369 114.223 114.554 0.063 0.000 2.867 179 T HA -0.059 4.290 4.350 -0.000 0.000 0.268 179 T C -0.182 174.374 174.700 -0.241 0.000 1.057 179 T CA 1.114 63.170 62.100 -0.072 0.000 1.136 179 T CB 0.133 69.062 68.868 0.101 0.000 0.874 179 T HN 0.385 nan 8.240 nan 0.000 0.466 180 W N 2.607 123.878 121.300 -0.049 0.000 2.391 180 W HA 0.470 5.130 4.660 -0.000 0.000 0.312 180 W C -0.202 176.248 176.519 -0.115 0.000 1.003 180 W CA -1.085 56.171 57.345 -0.147 0.000 1.375 180 W CB 0.530 29.772 29.460 -0.363 0.000 1.253 180 W HN -0.118 nan 8.180 nan 0.000 0.416 181 R N 3.648 124.163 120.500 0.026 0.000 2.196 181 R HA 0.030 4.370 4.340 -0.000 0.000 0.340 181 R C 0.631 176.945 176.300 0.023 0.000 1.043 181 R CA 0.024 56.163 56.100 0.065 0.000 0.883 181 R CB 0.160 30.416 30.300 -0.073 0.000 1.078 181 R HN 0.497 nan 8.270 nan 0.000 0.462 182 N N 2.783 121.622 118.700 0.231 0.000 2.740 182 N HA -0.214 4.526 4.740 -0.000 0.000 0.248 182 N C 0.456 175.989 175.510 0.038 0.000 1.062 182 N CA 1.517 54.683 53.050 0.193 0.000 0.704 182 N CB -1.047 37.374 38.487 -0.109 0.000 0.968 182 N HN 1.027 nan 8.380 nan 0.000 0.547 183 G N -2.718 106.067 108.800 -0.027 0.000 2.205 183 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.261 183 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.261 183 G C 0.248 175.187 174.900 0.065 0.000 0.980 183 G CA 0.700 45.748 45.100 -0.088 0.000 0.632 183 G HN 0.757 nan 8.290 nan 0.000 0.533 184 T N 0.768 115.366 114.554 0.072 0.000 2.885 184 T HA 0.568 4.918 4.350 -0.000 0.000 0.285 184 T C -0.097 174.528 174.700 -0.125 0.000 1.019 184 T CA -0.502 61.628 62.100 0.051 0.000 1.010 184 T CB 2.245 71.106 68.868 -0.011 0.000 1.022 184 T HN 0.714 nan 8.240 nan 0.000 0.466 185 L N 3.776 124.810 121.223 -0.316 0.000 2.597 185 L HA 0.123 4.463 4.340 -0.000 0.000 0.271 185 L C 0.792 177.391 176.870 -0.451 0.000 1.157 185 L CA 0.225 54.625 54.840 -0.734 0.000 0.928 185 L CB -0.536 41.145 42.059 -0.630 0.000 1.216 185 L HN 0.678 nan 8.230 nan 0.000 0.481 186 N N 2.861 121.303 118.700 -0.431 0.000 2.383 186 N HA -0.101 4.638 4.740 -0.000 0.000 0.295 186 N C 0.689 175.954 175.510 -0.409 0.000 1.281 186 N CA 0.475 53.327 53.050 -0.330 0.000 1.048 186 N CB 0.362 38.685 38.487 -0.274 0.000 1.455 186 N HN 0.873 nan 8.380 nan 0.000 0.488 187 T N -1.614 112.763 114.554 -0.295 0.000 3.100 187 T HA -0.049 4.301 4.350 -0.000 0.000 0.253 187 T C 1.545 176.184 174.700 -0.102 0.000 1.118 187 T CA 0.578 62.536 62.100 -0.237 0.000 1.058 187 T CB 0.043 68.819 68.868 -0.154 0.000 0.953 187 T HN 0.392 nan 8.240 nan 0.000 0.515 188 S N -0.066 115.576 115.700 -0.097 0.000 2.540 188 S HA 0.138 4.608 4.470 -0.000 0.000 0.218 188 S C 0.160 174.837 174.600 0.129 0.000 0.977 188 S CA -0.334 57.885 58.200 0.031 0.000 0.918 188 S CB -0.649 62.535 63.200 -0.027 0.000 0.806 188 S HN 0.590 nan 8.310 nan 0.000 0.496 189 H N 1.302 120.327 119.070 -0.075 0.000 2.677 189 H HA -0.126 4.430 4.556 -0.000 0.000 0.321 189 H C -0.273 175.026 175.328 -0.048 0.000 1.171 189 H CA 1.033 57.046 56.048 -0.059 0.000 1.139 189 H CB -2.246 27.487 29.762 -0.049 0.000 1.515 189 H HN 0.644 nan 8.280 nan 0.000 0.423 190 Q N -0.157 119.644 119.800 0.001 0.000 2.257 190 Q HA 0.576 4.916 4.340 -0.000 0.000 0.262 190 Q C 1.166 177.162 176.000 -0.007 0.000 0.997 190 Q CA -0.422 55.375 55.803 -0.009 0.000 0.873 190 Q CB 2.182 30.891 28.738 -0.049 0.000 1.312 190 Q HN 0.462 nan 8.270 nan 0.000 0.450 191 G N 0.289 109.096 108.800 0.011 0.000 2.621 191 G HA2 0.305 4.265 3.960 -0.000 0.000 0.271 191 G HA3 0.305 4.265 3.960 -0.000 0.000 0.271 191 G C -1.329 173.622 174.900 0.085 0.000 1.236 191 G CA -0.013 45.115 45.100 0.047 0.000 0.958 191 G HN 0.420 nan 8.290 nan 0.000 0.512 192 F N 0.431 120.340 119.950 -0.067 0.000 2.771 192 F HA 0.433 4.960 4.527 -0.000 0.000 0.365 192 F C -0.330 175.399 175.800 -0.119 0.000 1.169 192 F CA -1.804 56.142 58.000 -0.090 0.000 1.093 192 F CB 0.512 39.453 39.000 -0.098 0.000 1.363 192 F HN 0.395 nan 8.300 nan 0.000 0.496 193 c N 3.957 122.727 118.600 0.283 0.000 2.350 193 c HA 0.818 5.388 4.570 -0.000 0.000 0.348 193 c C 0.124 174.278 174.090 0.108 0.000 1.260 193 c CA -0.672 55.713 56.329 0.094 0.000 1.966 193 c CB -0.362 42.166 42.510 0.030 0.000 2.380 193 c HN 0.972 nan 8.230 nan 0.000 0.535 194 c N 2.757 121.323 118.600 -0.058 0.000 3.284 194 c HA 0.473 5.043 4.570 -0.000 0.000 0.338 194 c C -0.807 173.197 174.090 -0.144 0.000 1.237 194 c CA -0.961 55.317 56.329 -0.086 0.000 1.276 194 c CB 0.269 42.680 42.510 -0.164 0.000 1.601 194 c HN 0.865 nan 8.230 nan 0.000 0.494 195 N N 1.779 120.413 118.700 -0.110 0.000 2.407 195 N HA 0.180 4.920 4.740 -0.000 0.000 0.250 195 N C -0.422 175.003 175.510 -0.140 0.000 1.236 195 N CA 0.871 53.858 53.050 -0.104 0.000 0.879 195 N CB 0.617 39.058 38.487 -0.078 0.000 1.088 195 N HN 0.865 nan 8.380 nan 0.000 0.450 196 E N 2.154 122.282 120.200 -0.120 0.000 2.302 196 E HA 0.180 4.530 4.350 -0.000 0.000 0.263 196 E C -1.466 175.103 176.600 -0.052 0.000 0.897 196 E CA -0.647 55.660 56.400 -0.155 0.000 0.809 196 E CB 1.006 30.497 29.700 -0.348 0.000 1.270 196 E HN 0.311 nan 8.360 nan 0.000 0.410 197 M N 4.344 123.948 119.600 0.007 0.000 2.061 197 M HA 0.295 4.775 4.480 -0.000 0.000 0.346 197 M C -1.459 174.935 176.300 0.158 0.000 1.112 197 M CA -0.298 55.061 55.300 0.099 0.000 1.021 197 M CB 0.918 33.561 32.600 0.072 0.000 1.530 197 M HN 0.220 nan 8.290 nan 0.000 0.437 198 D N 6.447 126.958 120.400 0.185 0.000 2.479 198 D HA 0.243 4.883 4.640 -0.000 0.000 0.218 198 D C 1.044 177.501 176.300 0.262 0.000 1.131 198 D CA 0.125 54.257 54.000 0.220 0.000 0.916 198 D CB 0.445 41.343 40.800 0.163 0.000 1.022 198 D HN 0.652 nan 8.370 nan 0.000 0.515 199 I N 0.732 121.461 120.570 0.266 0.000 2.094 199 I HA -0.155 4.015 4.170 -0.000 0.000 0.234 199 I C 0.877 177.190 176.117 0.327 0.000 1.063 199 I CA 0.825 62.298 61.300 0.289 0.000 1.328 199 I CB 0.029 38.206 38.000 0.295 0.000 1.058 199 I HN 0.191 nan 8.210 nan 0.000 0.400 200 L N 0.723 122.141 121.223 0.324 0.000 2.329 200 L HA 0.452 4.792 4.340 -0.000 0.000 0.279 200 L C -0.561 176.499 176.870 0.317 0.000 1.014 200 L CA -0.085 54.977 54.840 0.370 0.000 0.814 200 L CB 1.280 43.636 42.059 0.495 0.000 1.257 200 L HN 0.167 nan 8.230 nan 0.000 0.424 201 E N 3.541 123.917 120.200 0.294 0.000 2.646 201 E HA 0.595 4.945 4.350 -0.000 0.000 0.336 201 E C -1.002 175.702 176.600 0.173 0.000 1.027 201 E CA -0.094 56.477 56.400 0.286 0.000 0.765 201 E CB 0.655 30.569 29.700 0.357 0.000 1.545 201 E HN 0.991 nan 8.360 nan 0.000 0.382 202 G N 2.327 111.199 108.800 0.121 0.000 2.342 202 G HA2 0.278 4.237 3.960 -0.000 0.000 0.297 202 G HA3 0.278 4.237 3.960 -0.000 0.000 0.297 202 G C -1.373 173.554 174.900 0.045 0.000 1.313 202 G CA -0.431 44.682 45.100 0.022 0.000 0.830 202 G HN 0.484 nan 8.290 nan 0.000 0.506 203 N N -2.213 116.504 118.700 0.029 0.000 3.184 203 N HA 0.534 5.274 4.740 -0.000 0.000 0.353 203 N C 1.263 176.854 175.510 0.134 0.000 1.441 203 N CA 0.315 53.385 53.050 0.033 0.000 0.723 203 N CB 0.634 39.079 38.487 -0.070 0.000 1.547 203 N HN 0.784 nan 8.380 nan 0.000 0.624 204 S N -1.943 113.784 115.700 0.043 0.000 2.607 204 S HA 0.105 4.575 4.470 -0.000 0.000 0.224 204 S C 0.929 175.535 174.600 0.010 0.000 0.969 204 S CA 0.067 58.275 58.200 0.013 0.000 0.927 204 S CB -0.282 62.889 63.200 -0.048 0.000 0.772 204 S HN 0.397 nan 8.310 nan 0.000 0.533 205 R N 1.138 121.667 120.500 0.049 0.000 2.225 205 R HA 0.603 4.943 4.340 -0.000 0.000 0.194 205 R C 0.750 177.125 176.300 0.124 0.000 0.957 205 R CA 0.818 56.936 56.100 0.030 0.000 1.042 205 R CB -0.439 29.828 30.300 -0.056 0.000 1.004 205 R HN 0.511 nan 8.270 nan 0.000 0.509 206 A N 0.790 123.706 122.820 0.160 0.000 2.564 206 A HA 0.571 4.890 4.320 -0.000 0.000 0.291 206 A C -1.428 176.036 177.584 -0.199 0.000 1.102 206 A CA -0.441 51.603 52.037 0.012 0.000 0.660 206 A CB 1.279 20.203 19.000 -0.127 0.000 1.283 206 A HN 0.316 nan 8.150 nan 0.000 0.430 207 N N -1.442 116.986 118.700 -0.454 0.000 3.039 207 N HA 0.809 5.549 4.740 -0.000 0.000 0.257 207 N C -0.969 174.438 175.510 -0.171 0.000 1.497 207 N CA -0.218 52.636 53.050 -0.327 0.000 0.861 207 N CB 1.810 39.985 38.487 -0.520 0.000 1.479 207 N HN 1.912 nan 8.380 nan 0.000 0.547 208 A N 0.204 123.022 122.820 -0.002 0.000 2.512 208 A HA 0.534 4.854 4.320 -0.000 0.000 0.294 208 A C -2.104 175.591 177.584 0.185 0.000 1.054 208 A CA -0.541 51.548 52.037 0.086 0.000 0.756 208 A CB 1.035 20.139 19.000 0.174 0.000 1.293 208 A HN 0.665 nan 8.150 nan 0.000 0.395 209 L N 2.274 123.618 121.223 0.202 0.000 2.264 209 L HA 0.830 5.170 4.340 -0.000 0.000 0.289 209 L C -0.481 176.532 176.870 0.238 0.000 1.044 209 L CA 0.669 55.656 54.840 0.246 0.000 0.807 209 L CB 1.167 43.389 42.059 0.272 0.000 1.192 209 L HN 0.643 nan 8.230 nan 0.000 0.425 210 T N 6.266 120.961 114.554 0.235 0.000 3.031 210 T HA 0.486 4.836 4.350 -0.000 0.000 0.305 210 T C -2.823 172.022 174.700 0.242 0.000 0.985 210 T CA -0.879 61.347 62.100 0.209 0.000 1.008 210 T CB 1.682 70.691 68.868 0.236 0.000 1.005 210 T HN 0.361 nan 8.240 nan 0.000 0.444 211 P HA 0.415 nan 4.420 nan 0.000 0.296 211 P C -0.941 176.373 177.300 0.025 0.000 1.306 211 P CA -0.599 62.590 63.100 0.149 0.000 0.818 211 P CB 0.623 32.393 31.700 0.117 0.000 0.969 212 H N 0.832 119.880 119.070 -0.038 0.000 2.762 212 H HA 0.315 4.871 4.556 -0.000 0.000 0.310 212 H C -0.192 175.071 175.328 -0.108 0.000 1.004 212 H CA -0.520 55.469 56.048 -0.097 0.000 1.267 212 H CB 1.247 30.923 29.762 -0.143 0.000 1.437 212 H HN 0.343 nan 8.280 nan 0.000 0.498 213 S N 2.085 117.766 115.700 -0.032 0.000 2.601 213 S HA 0.378 4.848 4.470 -0.000 0.000 0.271 213 S C 0.106 174.648 174.600 -0.097 0.000 1.305 213 S CA -0.362 57.825 58.200 -0.022 0.000 1.022 213 S CB 0.915 64.143 63.200 0.045 0.000 0.940 213 S HN 0.582 nan 8.310 nan 0.000 0.525 214 c N 1.197 119.781 118.600 -0.026 0.000 2.994 214 c HA 0.709 5.279 4.570 -0.000 0.000 0.305 214 c C 0.563 174.699 174.090 0.076 0.000 1.251 214 c CA -0.826 55.486 56.329 -0.029 0.000 1.478 214 c CB 1.757 44.231 42.510 -0.060 0.000 1.922 214 c HN 0.855 nan 8.230 nan 0.000 0.472 215 T N 0.532 115.161 114.554 0.126 0.000 2.910 215 T HA 0.505 4.855 4.350 -0.000 0.000 0.279 215 T C 1.174 175.911 174.700 0.061 0.000 0.989 215 T CA 0.184 62.357 62.100 0.122 0.000 0.968 215 T CB 1.293 70.270 68.868 0.181 0.000 1.135 215 T HN 0.846 nan 8.240 nan 0.000 0.562 216 A N 0.474 123.318 122.820 0.041 0.000 1.968 216 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 216 A C 2.264 179.860 177.584 0.019 0.000 1.169 216 A CA 1.875 53.923 52.037 0.019 0.000 0.638 216 A CB -1.192 17.809 19.000 0.003 0.000 0.812 216 A HN 0.874 nan 8.150 nan 0.000 0.446 217 T N -3.395 111.180 114.554 0.035 0.000 3.009 217 T HA 0.563 4.913 4.350 -0.000 0.000 0.258 217 T C 0.759 175.489 174.700 0.050 0.000 1.063 217 T CA 0.845 62.966 62.100 0.034 0.000 1.139 217 T CB -0.058 68.830 68.868 0.033 0.000 0.890 217 T HN 0.854 nan 8.240 nan 0.000 0.471 218 A N -0.796 122.076 122.820 0.086 0.000 2.533 218 A HA 0.762 5.082 4.320 -0.000 0.000 0.293 218 A C -1.177 176.378 177.584 -0.050 0.000 1.228 218 A CA -0.875 51.203 52.037 0.068 0.000 0.689 218 A CB 1.162 20.263 19.000 0.167 0.000 1.303 218 A HN 0.442 nan 8.150 nan 0.000 0.444 219 c N -1.086 117.355 118.600 -0.266 0.000 3.323 219 c HA 0.639 5.209 4.570 -0.000 0.000 0.324 219 c C -0.853 172.685 174.090 -0.920 0.000 1.428 219 c CA -0.424 55.555 56.329 -0.584 0.000 1.368 219 c CB 1.853 44.202 42.510 -0.269 0.000 1.731 219 c HN 0.938 nan 8.230 nan 0.000 0.455 220 D N 0.651 120.542 120.400 -0.849 0.000 2.558 220 D HA 0.239 4.879 4.640 -0.000 0.000 0.221 220 D C 1.124 177.296 176.300 -0.214 0.000 1.143 220 D CA 0.392 54.067 54.000 -0.542 0.000 1.010 220 D CB 0.353 40.935 40.800 -0.363 0.000 1.068 220 D HN 0.447 nan 8.370 nan 0.000 0.511 221 S N 1.780 117.405 115.700 -0.126 0.000 2.389 221 S HA -0.202 4.268 4.470 -0.000 0.000 0.229 221 S C 1.099 175.682 174.600 -0.028 0.000 1.048 221 S CA 1.278 59.468 58.200 -0.018 0.000 1.117 221 S CB -0.310 62.861 63.200 -0.047 0.000 1.020 221 S HN 0.674 nan 8.310 nan 0.000 0.430 222 A N 2.089 124.855 122.820 -0.090 0.000 2.395 222 A HA 0.551 4.871 4.320 -0.000 0.000 0.286 222 A C 0.691 178.134 177.584 -0.234 0.000 1.193 222 A CA -0.079 51.889 52.037 -0.115 0.000 0.852 222 A CB -0.268 18.695 19.000 -0.062 0.000 1.118 222 A HN 0.416 nan 8.150 nan 0.000 0.524 223 G N 0.304 108.864 108.800 -0.400 0.000 2.562 223 G HA2 0.371 4.330 3.960 -0.000 0.000 0.275 223 G HA3 0.371 4.330 3.960 -0.000 0.000 0.275 223 G C 0.544 175.327 174.900 -0.195 0.000 1.196 223 G CA 0.121 44.892 45.100 -0.550 0.000 0.908 223 G HN 1.481 nan 8.290 nan 0.000 0.524 224 c N 1.086 119.608 118.600 -0.128 0.000 3.057 224 c HA 0.619 5.188 4.570 -0.000 0.000 0.563 224 c C 1.232 175.346 174.090 0.040 0.000 1.129 224 c CA -0.989 55.328 56.329 -0.019 0.000 1.284 224 c CB -1.491 41.017 42.510 -0.005 0.000 1.532 224 c HN 0.756 nan 8.230 nan 0.000 0.631 225 G N 0.568 109.406 108.800 0.064 0.000 2.651 225 G HA2 0.484 4.444 3.960 -0.000 0.000 0.260 225 G HA3 0.484 4.444 3.960 -0.000 0.000 0.260 225 G C -1.113 173.938 174.900 0.252 0.000 1.216 225 G CA -0.263 44.928 45.100 0.152 0.000 0.913 225 G HN 0.678 nan 8.290 nan 0.000 0.535 226 F N 1.009 121.014 119.950 0.091 0.000 2.518 226 F HA 0.578 5.105 4.527 -0.000 0.000 0.323 226 F C -0.880 174.986 175.800 0.110 0.000 1.129 226 F CA -1.891 56.162 58.000 0.089 0.000 0.920 226 F CB 2.154 41.191 39.000 0.062 0.000 1.160 226 F HN 0.374 nan 8.300 nan 0.000 0.440 227 N N 7.964 126.430 118.700 -0.389 0.000 2.549 227 N HA 0.392 5.132 4.740 -0.000 0.000 0.281 227 N C -2.523 172.720 175.510 -0.444 0.000 1.084 227 N CA -2.211 50.605 53.050 -0.390 0.000 0.862 227 N CB 2.499 40.952 38.487 -0.057 0.000 1.333 227 N HN 0.201 nan 8.380 nan 0.000 0.523 228 P HA -0.187 nan 4.420 nan 0.000 0.217 228 P C 0.940 178.351 177.300 0.185 0.000 1.158 228 P CA 1.332 64.336 63.100 -0.159 0.000 0.887 228 P CB 0.053 31.734 31.700 -0.032 0.000 0.792 229 Y N 0.254 120.573 120.300 0.032 0.000 2.145 229 Y HA -0.139 4.411 4.550 -0.000 0.000 0.286 229 Y C 2.517 178.440 175.900 0.038 0.000 1.145 229 Y CA 2.155 60.290 58.100 0.058 0.000 1.148 229 Y CB -1.111 37.367 38.460 0.031 0.000 0.981 229 Y HN -0.123 nan 8.280 nan 0.000 0.507 230 G N -1.589 107.373 108.800 0.269 0.000 2.422 230 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 230 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 230 G C 1.590 176.567 174.900 0.128 0.000 1.146 230 G CA 1.056 46.274 45.100 0.197 0.000 0.769 230 G HN 0.389 nan 8.290 nan 0.000 0.547 231 S N 0.384 116.183 115.700 0.165 0.000 2.754 231 S HA 0.368 4.837 4.470 -0.000 0.000 0.223 231 S C 1.375 175.929 174.600 -0.077 0.000 0.951 231 S CA 0.545 58.865 58.200 0.200 0.000 0.954 231 S CB -0.270 63.248 63.200 0.529 0.000 0.780 231 S HN 1.249 nan 8.310 nan 0.000 0.509 232 G N 1.316 110.009 108.800 -0.179 0.000 2.326 232 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.286 232 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.286 232 G C -0.335 174.129 174.900 -0.726 0.000 1.096 232 G CA -0.379 44.468 45.100 -0.422 0.000 1.003 232 G HN 0.557 nan 8.290 nan 0.000 0.503 233 Y N -1.111 119.118 120.300 -0.119 0.000 2.685 233 Y HA 0.300 4.850 4.550 -0.000 0.000 0.284 233 Y C 1.562 177.416 175.900 -0.077 0.000 0.944 233 Y CA -0.877 57.187 58.100 -0.061 0.000 1.107 233 Y CB 0.466 38.909 38.460 -0.029 0.000 1.188 233 Y HN 0.277 nan 8.280 nan 0.000 0.635 234 K N 0.358 120.622 120.400 -0.226 0.000 2.444 234 K HA -0.123 4.197 4.320 -0.000 0.000 0.200 234 K C 0.705 177.311 176.600 0.009 0.000 1.045 234 K CA 1.548 57.606 56.287 -0.382 0.000 0.934 234 K CB -0.032 32.114 32.500 -0.590 0.000 0.756 234 K HN 0.351 nan 8.250 nan 0.000 0.477 235 S N -1.198 114.558 115.700 0.093 0.000 2.474 235 S HA 0.182 4.651 4.470 -0.000 0.000 0.224 235 S C -0.119 174.594 174.600 0.189 0.000 1.209 235 S CA -0.911 57.359 58.200 0.118 0.000 1.212 235 S CB 0.042 63.282 63.200 0.067 0.000 1.137 235 S HN 0.341 nan 8.310 nan 0.000 0.446 236 Y N 1.171 121.526 120.300 0.092 0.000 2.817 236 Y HA 0.452 5.002 4.550 -0.000 0.000 0.257 236 Y C -0.406 175.519 175.900 0.041 0.000 1.055 236 Y CA -0.319 57.828 58.100 0.078 0.000 1.319 236 Y CB 0.463 38.996 38.460 0.121 0.000 1.481 236 Y HN 0.458 nan 8.280 nan 0.000 0.471 237 Y N 2.204 122.480 120.300 -0.041 0.000 2.369 237 Y HA 0.623 5.173 4.550 -0.000 0.000 0.337 237 Y C -0.108 175.709 175.900 -0.138 0.000 0.961 237 Y CA -0.064 57.892 58.100 -0.239 0.000 1.186 237 Y CB 0.775 39.167 38.460 -0.113 0.000 1.139 237 Y HN 0.368 nan 8.280 nan 0.000 0.494 238 G N 5.124 113.672 108.800 -0.419 0.000 2.313 238 G HA2 0.194 4.154 3.960 -0.000 0.000 0.296 238 G HA3 0.194 4.154 3.960 -0.000 0.000 0.296 238 G C -3.427 171.302 174.900 -0.285 0.000 1.356 238 G CA -1.333 43.612 45.100 -0.258 0.000 0.833 238 G HN 0.257 nan 8.290 nan 0.000 0.552 239 P HA 0.347 nan 4.420 nan 0.000 0.269 239 P C 0.900 178.127 177.300 -0.121 0.000 1.263 239 P CA 1.858 64.871 63.100 -0.146 0.000 0.813 239 P CB 0.636 32.278 31.700 -0.096 0.000 0.868 240 G N 2.228 110.944 108.800 -0.140 0.000 2.157 240 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.248 240 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.248 240 G C 0.122 174.953 174.900 -0.115 0.000 0.979 240 G CA -0.318 44.717 45.100 -0.109 0.000 0.650 240 G HN 0.400 nan 8.290 nan 0.000 0.529 241 D N -0.426 119.878 120.400 -0.160 0.000 2.506 241 D HA 0.499 5.139 4.640 -0.000 0.000 0.272 241 D C 1.931 178.100 176.300 -0.219 0.000 1.214 241 D CA 0.351 54.259 54.000 -0.152 0.000 1.067 241 D CB 0.057 40.776 40.800 -0.134 0.000 1.117 241 D HN -0.031 nan 8.370 nan 0.000 0.578 242 T N -0.091 114.333 114.554 -0.217 0.000 2.620 242 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 242 T C 1.911 176.367 174.700 -0.408 0.000 1.044 242 T CA 1.384 63.325 62.100 -0.264 0.000 1.161 242 T CB -0.280 68.441 68.868 -0.246 0.000 0.862 242 T HN 0.139 nan 8.240 nan 0.000 0.438 243 V N 0.620 120.137 119.914 -0.662 0.000 2.535 243 V HA 0.031 4.151 4.120 -0.000 0.000 0.246 243 V C 0.721 176.412 176.094 -0.671 0.000 1.045 243 V CA 0.813 62.661 62.300 -0.752 0.000 1.058 243 V CB -0.807 30.361 31.823 -1.091 0.000 0.689 243 V HN 0.689 nan 8.190 nan 0.000 0.461 244 D N 0.657 120.704 120.400 -0.588 0.000 3.908 244 D HA -0.178 4.461 4.640 -0.000 0.000 0.237 244 D C 1.125 177.153 176.300 -0.452 0.000 1.091 244 D CA 0.805 54.551 54.000 -0.423 0.000 1.147 244 D CB -0.598 40.051 40.800 -0.250 0.000 0.857 244 D HN 0.577 nan 8.370 nan 0.000 0.410 245 T N -0.491 113.752 114.554 -0.520 0.000 2.962 245 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 245 T C 2.112 176.754 174.700 -0.097 0.000 1.088 245 T CA 1.304 63.202 62.100 -0.337 0.000 1.127 245 T CB -0.380 68.258 68.868 -0.383 0.000 0.883 245 T HN 0.520 nan 8.240 nan 0.000 0.493 246 S N 0.989 116.616 115.700 -0.121 0.000 2.440 246 S HA -0.021 4.449 4.470 -0.000 0.000 0.238 246 S C 0.789 175.371 174.600 -0.029 0.000 1.010 246 S CA 0.381 58.540 58.200 -0.069 0.000 0.972 246 S CB -0.405 62.750 63.200 -0.075 0.000 0.774 246 S HN 0.647 nan 8.310 nan 0.000 0.501 247 K N 0.102 120.499 120.400 -0.006 0.000 2.346 247 K HA 0.479 4.799 4.320 -0.000 0.000 0.238 247 K C -0.690 175.980 176.600 0.116 0.000 1.039 247 K CA -0.749 55.557 56.287 0.031 0.000 0.861 247 K CB 1.157 33.665 32.500 0.013 0.000 1.278 247 K HN -0.092 nan 8.250 nan 0.000 0.460 248 T N 1.941 116.547 114.554 0.087 0.000 2.907 248 T HA 0.332 4.682 4.350 -0.000 0.000 0.298 248 T C -0.419 174.383 174.700 0.169 0.000 1.017 248 T CA -0.061 62.082 62.100 0.073 0.000 1.118 248 T CB -0.121 68.758 68.868 0.019 0.000 0.948 248 T HN 0.388 nan 8.240 nan 0.000 0.531 249 F N -0.839 119.102 119.950 -0.016 0.000 2.675 249 F HA 0.806 5.333 4.527 -0.000 0.000 0.324 249 F C -0.381 175.428 175.800 0.016 0.000 1.106 249 F CA -1.321 56.666 58.000 -0.020 0.000 0.970 249 F CB 0.791 39.741 39.000 -0.083 0.000 1.385 249 F HN 0.289 nan 8.300 nan 0.000 0.489 250 T N 2.150 116.810 114.554 0.177 0.000 2.823 250 T HA 0.632 4.982 4.350 -0.000 0.000 0.279 250 T C -0.515 174.249 174.700 0.107 0.000 0.998 250 T CA -0.364 61.750 62.100 0.023 0.000 0.994 250 T CB 1.291 70.185 68.868 0.042 0.000 0.960 250 T HN 0.514 nan 8.240 nan 0.000 0.448 251 I N 3.747 124.177 120.570 -0.234 0.000 2.355 251 I HA 0.434 4.604 4.170 -0.000 0.000 0.288 251 I C -0.562 175.381 176.117 -0.290 0.000 0.999 251 I CA -0.656 60.532 61.300 -0.186 0.000 1.163 251 I CB 1.077 38.790 38.000 -0.479 0.000 1.316 251 I HN 0.454 nan 8.210 nan 0.000 0.454 252 I N 5.816 126.320 120.570 -0.110 0.000 2.382 252 I HA 0.302 4.472 4.170 -0.000 0.000 0.285 252 I C -0.321 175.732 176.117 -0.106 0.000 1.007 252 I CA -0.236 61.015 61.300 -0.082 0.000 1.142 252 I CB 1.678 39.649 38.000 -0.049 0.000 1.289 252 I HN 0.436 nan 8.210 nan 0.000 0.453 253 T N 5.896 120.398 114.554 -0.086 0.000 2.770 253 T HA 0.400 4.750 4.350 -0.000 0.000 0.283 253 T C -0.439 174.056 174.700 -0.342 0.000 0.988 253 T CA -0.603 61.365 62.100 -0.221 0.000 0.957 253 T CB 1.168 69.913 68.868 -0.204 0.000 0.930 253 T HN 0.476 nan 8.240 nan 0.000 0.443 254 Q N 2.212 121.785 119.800 -0.380 0.000 2.316 254 Q HA 0.482 4.822 4.340 -0.000 0.000 0.264 254 Q C -1.157 174.601 176.000 -0.403 0.000 0.987 254 Q CA -0.644 54.988 55.803 -0.285 0.000 0.852 254 Q CB 1.707 30.376 28.738 -0.116 0.000 1.287 254 Q HN 0.557 nan 8.270 nan 0.000 0.448 255 F N 1.956 121.931 119.950 0.042 0.000 2.313 255 F HA 0.287 4.814 4.527 -0.000 0.000 0.369 255 F C 0.051 175.867 175.800 0.026 0.000 1.109 255 F CA -0.731 57.288 58.000 0.033 0.000 1.132 255 F CB 0.515 39.537 39.000 0.038 0.000 1.291 255 F HN 0.398 nan 8.300 nan 0.000 0.496 256 N N 1.456 120.232 118.700 0.127 0.000 2.444 256 N HA 0.375 5.115 4.740 -0.000 0.000 0.271 256 N C -0.017 175.542 175.510 0.082 0.000 1.069 256 N CA -0.461 52.638 53.050 0.081 0.000 0.965 256 N CB 1.059 39.565 38.487 0.031 0.000 1.092 256 N HN 0.539 nan 8.380 nan 0.000 0.476 257 T N -2.076 112.519 114.554 0.069 0.000 2.936 257 T HA 0.196 4.546 4.350 -0.000 0.000 0.282 257 T C 0.806 175.528 174.700 0.036 0.000 1.003 257 T CA -0.806 61.327 62.100 0.054 0.000 1.005 257 T CB 1.152 70.050 68.868 0.051 0.000 1.097 257 T HN 0.514 nan 8.240 nan 0.000 0.532 258 D N 0.208 120.624 120.400 0.028 0.000 2.162 258 D HA -0.152 4.488 4.640 -0.000 0.000 0.203 258 D C 1.252 177.563 176.300 0.018 0.000 0.967 258 D CA 1.140 55.152 54.000 0.020 0.000 0.840 258 D CB -0.862 39.947 40.800 0.016 0.000 0.972 258 D HN 0.842 nan 8.370 nan 0.000 0.482 259 N N -0.924 117.788 118.700 0.020 0.000 2.383 259 N HA 0.099 4.839 4.740 -0.000 0.000 0.192 259 N C 1.409 176.932 175.510 0.022 0.000 1.141 259 N CA 0.283 53.344 53.050 0.019 0.000 0.851 259 N CB 0.087 38.585 38.487 0.018 0.000 0.976 259 N HN 0.242 nan 8.380 nan 0.000 0.465 260 G N 0.482 109.297 108.800 0.026 0.000 2.205 260 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.269 260 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.269 260 G C 0.081 175.002 174.900 0.035 0.000 0.977 260 G CA 0.945 46.062 45.100 0.029 0.000 0.652 260 G HN 0.709 nan 8.290 nan 0.000 0.539 261 S N -1.297 114.424 115.700 0.036 0.000 2.632 261 S HA 0.795 5.264 4.470 -0.000 0.000 0.289 261 S C -1.382 173.244 174.600 0.044 0.000 1.115 261 S CA -0.826 57.398 58.200 0.040 0.000 0.889 261 S CB 2.906 66.125 63.200 0.031 0.000 1.116 261 S HN -0.019 nan 8.310 nan 0.000 0.486 262 P HA -0.117 nan 4.420 nan 0.000 0.226 262 P C 1.318 178.638 177.300 0.033 0.000 1.146 262 P CA 1.235 64.363 63.100 0.047 0.000 0.773 262 P CB -0.428 31.304 31.700 0.053 0.000 0.772 263 S N -1.141 114.576 115.700 0.029 0.000 2.419 263 S HA 0.101 4.571 4.470 -0.000 0.000 0.235 263 S C 1.305 175.916 174.600 0.018 0.000 1.019 263 S CA 0.839 59.053 58.200 0.022 0.000 0.982 263 S CB -0.915 62.297 63.200 0.020 0.000 0.789 263 S HN 0.459 nan 8.310 nan 0.000 0.490 264 G N 0.218 109.031 108.800 0.021 0.000 2.347 264 G HA2 0.376 4.336 3.960 -0.000 0.000 0.303 264 G HA3 0.376 4.336 3.960 -0.000 0.000 0.303 264 G C -1.803 173.110 174.900 0.021 0.000 1.481 264 G CA -0.786 44.325 45.100 0.018 0.000 0.914 264 G HN 0.207 nan 8.290 nan 0.000 0.638 265 N N -1.220 117.491 118.700 0.018 0.000 2.385 265 N HA -0.133 4.606 4.740 -0.000 0.000 0.290 265 N C -0.304 175.224 175.510 0.031 0.000 1.440 265 N CA 0.600 53.662 53.050 0.020 0.000 0.633 265 N CB -0.395 38.102 38.487 0.018 0.000 0.927 265 N HN 1.260 nan 8.380 nan 0.000 0.496 266 L N 1.792 123.035 121.223 0.034 0.000 2.426 266 L HA 0.270 4.609 4.340 -0.000 0.000 0.271 266 L C 0.916 177.816 176.870 0.050 0.000 1.169 266 L CA 0.359 55.232 54.840 0.056 0.000 0.836 266 L CB 1.291 43.385 42.059 0.058 0.000 1.112 266 L HN 0.361 nan 8.230 nan 0.000 0.465 267 V N 1.927 121.874 119.914 0.056 0.000 3.350 267 V HA 0.332 4.452 4.120 -0.000 0.000 0.246 267 V C 0.121 176.236 176.094 0.035 0.000 1.363 267 V CA 0.802 63.124 62.300 0.037 0.000 1.162 267 V CB 0.530 32.369 31.823 0.026 0.000 0.947 267 V HN 0.922 nan 8.190 nan 0.000 0.454 268 S N -0.353 115.376 115.700 0.048 0.000 2.547 268 S HA 0.691 5.160 4.470 -0.000 0.000 0.270 268 S C -1.278 173.346 174.600 0.039 0.000 1.150 268 S CA -0.572 57.644 58.200 0.027 0.000 0.850 268 S CB 2.084 65.278 63.200 -0.010 0.000 1.118 268 S HN 0.101 nan 8.310 nan 0.000 0.461 269 I N 2.135 122.710 120.570 0.007 0.000 2.405 269 I HA 0.296 4.466 4.170 -0.000 0.000 0.280 269 I C -0.331 175.708 176.117 -0.129 0.000 1.027 269 I CA -0.329 60.937 61.300 -0.057 0.000 1.161 269 I CB 1.493 39.512 38.000 0.031 0.000 1.300 269 I HN 0.627 nan 8.210 nan 0.000 0.463 270 T N 5.372 119.824 114.554 -0.171 0.000 2.780 270 T HA 0.326 4.676 4.350 -0.000 0.000 0.294 270 T C 0.034 174.622 174.700 -0.186 0.000 0.949 270 T CA -0.320 61.684 62.100 -0.160 0.000 1.074 270 T CB 0.822 69.614 68.868 -0.127 0.000 0.910 270 T HN 0.366 nan 8.240 nan 0.000 0.501 271 R N 3.003 123.399 120.500 -0.173 0.000 2.460 271 R HA 0.519 4.859 4.340 -0.000 0.000 0.303 271 R C -0.864 175.264 176.300 -0.287 0.000 0.968 271 R CA -0.764 55.203 56.100 -0.222 0.000 0.889 271 R CB 0.504 30.705 30.300 -0.165 0.000 1.123 271 R HN 0.702 nan 8.270 nan 0.000 0.455 272 K N 2.994 123.193 120.400 -0.336 0.000 2.615 272 K HA 0.307 4.627 4.320 -0.000 0.000 0.249 272 K C -1.440 175.033 176.600 -0.210 0.000 0.977 272 K CA -0.814 55.322 56.287 -0.252 0.000 0.833 272 K CB 1.095 33.529 32.500 -0.110 0.000 1.208 272 K HN 0.247 nan 8.250 nan 0.000 0.443 273 Y N 1.548 121.919 120.300 0.119 0.000 2.403 273 Y HA 0.341 4.891 4.550 -0.000 0.000 0.323 273 Y C 0.037 175.990 175.900 0.088 0.000 1.226 273 Y CA -0.478 57.699 58.100 0.129 0.000 1.235 273 Y CB 1.751 40.305 38.460 0.156 0.000 1.248 273 Y HN 0.661 nan 8.280 nan 0.000 0.489 274 Q N 0.942 120.902 119.800 0.267 0.000 2.313 274 Q HA 0.450 4.790 4.340 -0.000 0.000 0.260 274 Q C -1.873 174.215 176.000 0.146 0.000 0.972 274 Q CA -1.019 54.876 55.803 0.153 0.000 0.886 274 Q CB 2.254 31.050 28.738 0.097 0.000 1.373 274 Q HN 0.747 nan 8.270 nan 0.000 0.416 275 Q N 1.997 121.856 119.800 0.100 0.000 2.372 275 Q HA 0.400 4.740 4.340 -0.000 0.000 0.273 275 Q C -0.975 175.053 176.000 0.047 0.000 1.078 275 Q CA -0.415 55.440 55.803 0.087 0.000 0.806 275 Q CB 1.369 30.146 28.738 0.065 0.000 1.332 275 Q HN 0.897 nan 8.270 nan 0.000 0.435 276 N N 2.092 120.818 118.700 0.043 0.000 2.754 276 N HA -0.289 4.450 4.740 -0.000 0.000 0.248 276 N C 0.505 176.030 175.510 0.024 0.000 1.093 276 N CA 0.597 53.663 53.050 0.026 0.000 0.699 276 N CB -1.122 37.373 38.487 0.014 0.000 1.016 276 N HN 1.046 nan 8.380 nan 0.000 0.552 277 G N -1.717 107.101 108.800 0.030 0.000 2.550 277 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.233 277 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.233 277 G C 0.298 175.214 174.900 0.026 0.000 1.170 277 G CA 0.614 45.729 45.100 0.025 0.000 0.693 277 G HN 1.246 nan 8.290 nan 0.000 0.512 278 V N -0.092 119.838 119.914 0.026 0.000 2.686 278 V HA 0.609 4.729 4.120 -0.000 0.000 0.295 278 V C 0.030 176.147 176.094 0.038 0.000 1.055 278 V CA -0.505 61.811 62.300 0.026 0.000 1.050 278 V CB 1.285 33.120 31.823 0.020 0.000 0.984 278 V HN 0.260 nan 8.190 nan 0.000 0.482 279 D N 4.781 125.204 120.400 0.039 0.000 2.348 279 D HA 0.378 5.018 4.640 -0.000 0.000 0.253 279 D C 0.037 176.375 176.300 0.063 0.000 1.161 279 D CA -0.172 53.859 54.000 0.052 0.000 0.876 279 D CB 0.729 41.553 40.800 0.040 0.000 1.160 279 D HN 0.473 nan 8.370 nan 0.000 0.459 280 I N 4.481 125.106 120.570 0.092 0.000 2.529 280 I HA 0.171 4.341 4.170 -0.000 0.000 0.284 280 I C -1.634 174.568 176.117 0.142 0.000 1.082 280 I CA -2.296 59.070 61.300 0.109 0.000 1.406 280 I CB 0.049 38.123 38.000 0.124 0.000 1.405 280 I HN 0.241 nan 8.210 nan 0.000 0.548 281 P HA 0.144 nan 4.420 nan 0.000 0.272 281 P C -0.246 177.166 177.300 0.187 0.000 1.230 281 P CA -0.342 62.835 63.100 0.128 0.000 0.788 281 P CB 0.619 32.382 31.700 0.105 0.000 0.949 282 S N 0.387 116.127 115.700 0.065 0.000 2.576 282 S HA 0.223 4.692 4.470 -0.000 0.000 0.272 282 S C 1.584 176.058 174.600 -0.211 0.000 1.352 282 S CA 0.054 58.230 58.200 -0.039 0.000 1.021 282 S CB 0.561 63.703 63.200 -0.097 0.000 0.887 282 S HN 0.626 nan 8.310 nan 0.000 0.542 283 A N 1.304 123.773 122.820 -0.585 0.000 1.861 283 A HA 0.016 4.336 4.320 -0.000 0.000 0.212 283 A C 0.875 177.936 177.584 -0.870 0.000 1.199 283 A CA 0.571 51.970 52.037 -1.064 0.000 0.613 283 A CB -0.377 17.745 19.000 -1.463 0.000 0.846 283 A HN 0.851 nan 8.150 nan 0.000 0.446 284 Q N 0.318 119.728 119.800 -0.649 0.000 2.256 284 Q HA 0.551 4.891 4.340 -0.000 0.000 0.257 284 Q C -2.884 173.021 176.000 -0.159 0.000 0.936 284 Q CA -2.509 53.103 55.803 -0.318 0.000 0.903 284 Q CB 0.727 29.354 28.738 -0.185 0.000 1.263 284 Q HN 0.037 nan 8.270 nan 0.000 0.440 285 P HA -0.026 nan 4.420 nan 0.000 0.265 285 P C 0.691 177.958 177.300 -0.054 0.000 1.187 285 P CA 1.588 64.664 63.100 -0.039 0.000 0.766 285 P CB 0.479 32.177 31.700 -0.003 0.000 0.820 286 G N 1.222 109.992 108.800 -0.050 0.000 2.268 286 G HA2 0.061 4.021 3.960 -0.000 0.000 0.240 286 G HA3 0.061 4.021 3.960 -0.000 0.000 0.240 286 G C 0.377 175.233 174.900 -0.074 0.000 1.010 286 G CA 0.125 45.193 45.100 -0.053 0.000 0.618 286 G HN 1.136 nan 8.290 nan 0.000 0.516 287 G N -0.707 108.032 108.800 -0.102 0.000 2.653 287 G HA2 0.408 4.368 3.960 -0.000 0.000 0.656 287 G HA3 0.408 4.368 3.960 -0.000 0.000 0.656 287 G C -1.079 173.707 174.900 -0.190 0.000 1.419 287 G CA 0.092 45.118 45.100 -0.123 0.000 0.862 287 G HN 0.547 nan 8.290 nan 0.000 0.639 288 D N 1.991 122.269 120.400 -0.203 0.000 2.455 288 D HA 0.444 5.083 4.640 -0.000 0.000 0.234 288 D C 0.993 177.105 176.300 -0.312 0.000 1.224 288 D CA 1.072 54.891 54.000 -0.301 0.000 0.999 288 D CB 0.585 41.336 40.800 -0.082 0.000 1.072 288 D HN 0.757 nan 8.370 nan 0.000 0.514 289 T N -1.572 112.764 114.554 -0.362 0.000 2.906 289 T HA 0.622 4.971 4.350 -0.000 0.000 0.295 289 T C 0.139 174.678 174.700 -0.267 0.000 1.061 289 T CA -0.918 61.030 62.100 -0.253 0.000 1.000 289 T CB 1.408 70.178 68.868 -0.163 0.000 1.103 289 T HN 0.090 nan 8.240 nan 0.000 0.486 290 I N 3.001 123.480 120.570 -0.151 0.000 2.361 290 I HA 0.247 4.416 4.170 -0.000 0.000 0.282 290 I C 1.163 177.251 176.117 -0.049 0.000 1.075 290 I CA -0.471 60.775 61.300 -0.090 0.000 1.205 290 I CB 1.067 39.062 38.000 -0.009 0.000 1.406 290 I HN 0.859 nan 8.210 nan 0.000 0.481 291 S N 4.093 119.757 115.700 -0.061 0.000 2.294 291 S HA 0.022 4.491 4.470 -0.000 0.000 0.203 291 S C 1.025 175.618 174.600 -0.013 0.000 1.022 291 S CA 0.517 58.696 58.200 -0.034 0.000 0.955 291 S CB 0.161 63.335 63.200 -0.043 0.000 0.943 291 S HN 0.671 nan 8.310 nan 0.000 0.472 292 S N 0.385 116.076 115.700 -0.015 0.000 2.545 292 S HA 0.395 4.865 4.470 -0.000 0.000 0.275 292 S C -0.316 174.287 174.600 0.005 0.000 1.299 292 S CA -0.667 57.531 58.200 -0.002 0.000 1.048 292 S CB 0.845 64.043 63.200 -0.003 0.000 0.938 292 S HN 0.525 nan 8.310 nan 0.000 0.496 293 c N 6.100 124.708 118.600 0.013 0.000 2.787 293 c HA 0.536 5.106 4.570 -0.000 0.000 0.265 293 c C -1.334 172.769 174.090 0.020 0.000 1.190 293 c CA -1.738 54.601 56.329 0.018 0.000 1.616 293 c CB -0.821 41.703 42.510 0.023 0.000 1.732 293 c HN 0.825 nan 8.230 nan 0.000 0.433 294 P HA -0.179 nan 4.420 nan 0.000 0.216 294 P C 1.829 179.146 177.300 0.028 0.000 1.167 294 P CA 2.182 65.293 63.100 0.019 0.000 0.914 294 P CB 0.109 31.819 31.700 0.017 0.000 0.793 295 S N 0.207 115.924 115.700 0.029 0.000 2.365 295 S HA -0.229 4.241 4.470 -0.000 0.000 0.225 295 S C 2.113 176.783 174.600 0.115 0.000 1.039 295 S CA 1.513 59.743 58.200 0.050 0.000 1.033 295 S CB -1.566 61.639 63.200 0.009 0.000 0.887 295 S HN 0.234 nan 8.310 nan 0.000 0.447 296 A N 2.073 124.950 122.820 0.095 0.000 2.216 296 A HA -0.007 4.313 4.320 -0.000 0.000 0.214 296 A C 2.306 179.988 177.584 0.163 0.000 1.160 296 A CA 1.406 53.543 52.037 0.167 0.000 0.725 296 A CB -1.034 18.013 19.000 0.079 0.000 0.784 296 A HN 0.663 nan 8.150 nan 0.000 0.472 297 S N 0.752 116.497 115.700 0.074 0.000 2.368 297 S HA -0.183 4.287 4.470 -0.000 0.000 0.226 297 S C 1.984 176.550 174.600 -0.056 0.000 1.044 297 S CA 1.456 59.663 58.200 0.011 0.000 1.062 297 S CB -0.937 62.258 63.200 -0.009 0.000 0.931 297 S HN 1.114 nan 8.310 nan 0.000 0.440 298 A N -0.181 122.540 122.820 -0.165 0.000 2.259 298 A HA 0.150 4.470 4.320 -0.000 0.000 0.212 298 A C 0.907 178.052 177.584 -0.731 0.000 1.178 298 A CA 0.755 52.513 52.037 -0.466 0.000 0.734 298 A CB -0.740 17.882 19.000 -0.630 0.000 0.774 298 A HN 0.787 nan 8.150 nan 0.000 0.481 299 Y N -1.602 118.691 120.300 -0.012 0.000 2.738 299 Y HA 0.432 4.982 4.550 -0.000 0.000 0.249 299 Y C 1.239 177.133 175.900 -0.010 0.000 1.153 299 Y CA -0.293 57.800 58.100 -0.011 0.000 1.165 299 Y CB 0.152 38.605 38.460 -0.010 0.000 1.235 299 Y HN 0.325 nan 8.280 nan 0.000 0.559 300 G N 0.763 109.604 108.800 0.068 0.000 2.370 300 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.268 300 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.268 300 G C 0.587 175.522 174.900 0.058 0.000 1.122 300 G CA -0.214 44.914 45.100 0.048 0.000 0.963 300 G HN 0.816 nan 8.290 nan 0.000 0.500 301 G N -0.806 108.030 108.800 0.060 0.000 2.164 301 G HA2 0.325 4.284 3.960 -0.000 0.000 0.259 301 G HA3 0.325 4.284 3.960 -0.000 0.000 0.259 301 G C 1.408 176.333 174.900 0.041 0.000 0.894 301 G CA 0.868 46.002 45.100 0.056 0.000 0.961 301 G HN 1.691 nan 8.290 nan 0.000 0.369 302 L N 0.689 121.937 121.223 0.042 0.000 3.363 302 L HA -0.410 3.930 4.340 -0.000 0.000 0.346 302 L C 2.956 179.843 176.870 0.029 0.000 3.762 302 L CA 2.089 56.952 54.840 0.038 0.000 1.796 302 L CB -1.955 40.127 42.059 0.038 0.000 3.000 302 L HN 0.755 nan 8.230 nan 0.000 0.779 303 A N 0.361 123.196 122.820 0.025 0.000 1.881 303 A HA -0.345 3.974 4.320 -0.000 0.000 0.219 303 A C 2.196 179.787 177.584 0.013 0.000 1.215 303 A CA 4.272 56.320 52.037 0.018 0.000 0.648 303 A CB -1.252 17.758 19.000 0.016 0.000 0.832 303 A HN 0.784 nan 8.150 nan 0.000 0.455 304 T N -3.045 111.521 114.554 0.020 0.000 2.746 304 T HA -0.225 4.125 4.350 -0.000 0.000 0.267 304 T C 1.767 176.464 174.700 -0.004 0.000 1.039 304 T CA 2.070 64.178 62.100 0.014 0.000 1.142 304 T CB -0.403 68.486 68.868 0.035 0.000 0.866 304 T HN 0.306 nan 8.240 nan 0.000 0.444 305 M N 2.815 122.414 119.600 -0.001 0.000 2.080 305 M HA 0.141 4.620 4.480 -0.000 0.000 0.260 305 M C 2.435 178.699 176.300 -0.060 0.000 1.068 305 M CA 1.777 57.062 55.300 -0.025 0.000 1.109 305 M CB -1.398 31.202 32.600 0.000 0.000 1.342 305 M HN 0.331 nan 8.290 nan 0.000 0.405 306 G N -0.592 108.185 108.800 -0.038 0.000 2.418 306 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 306 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 306 G C 1.713 176.580 174.900 -0.055 0.000 1.158 306 G CA 1.137 46.206 45.100 -0.052 0.000 0.771 306 G HN 0.549 nan 8.290 nan 0.000 0.545 307 K N 0.422 120.802 120.400 -0.034 0.000 2.147 307 K HA 0.036 4.355 4.320 -0.000 0.000 0.205 307 K C 2.775 179.347 176.600 -0.046 0.000 1.049 307 K CA 1.146 57.415 56.287 -0.030 0.000 0.936 307 K CB -0.231 32.259 32.500 -0.016 0.000 0.722 307 K HN 0.246 nan 8.250 nan 0.000 0.446 308 A N 0.839 123.623 122.820 -0.059 0.000 1.898 308 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 308 A C 1.985 179.503 177.584 -0.110 0.000 1.181 308 A CA 1.077 53.069 52.037 -0.076 0.000 0.620 308 A CB -0.485 18.469 19.000 -0.077 0.000 0.819 308 A HN 0.284 nan 8.150 nan 0.000 0.442 309 L N -0.612 120.522 121.223 -0.150 0.000 2.275 309 L HA -0.101 4.239 4.340 -0.000 0.000 0.215 309 L C 2.766 179.552 176.870 -0.140 0.000 1.119 309 L CA 1.185 55.898 54.840 -0.212 0.000 0.790 309 L CB -0.228 41.622 42.059 -0.348 0.000 0.919 309 L HN 0.477 nan 8.230 nan 0.000 0.443 310 S N -0.909 114.736 115.700 -0.090 0.000 2.371 310 S HA -0.113 4.357 4.470 -0.000 0.000 0.221 310 S C 2.199 176.774 174.600 -0.042 0.000 1.036 310 S CA 1.286 59.456 58.200 -0.051 0.000 0.965 310 S CB 0.016 63.198 63.200 -0.031 0.000 0.845 310 S HN 0.365 nan 8.310 nan 0.000 0.475 311 S N 0.441 116.114 115.700 -0.046 0.000 2.400 311 S HA 0.237 4.706 4.470 -0.000 0.000 0.232 311 S C 1.019 175.594 174.600 -0.042 0.000 1.025 311 S CA 0.831 59.010 58.200 -0.036 0.000 0.993 311 S CB -0.661 62.517 63.200 -0.037 0.000 0.808 311 S HN 1.080 nan 8.310 nan 0.000 0.478 312 G N 0.380 109.140 108.800 -0.067 0.000 2.885 312 G HA2 0.043 4.003 3.960 -0.000 0.000 0.685 312 G HA3 0.043 4.003 3.960 -0.000 0.000 0.685 312 G C -1.060 173.776 174.900 -0.107 0.000 1.216 312 G CA -0.897 44.155 45.100 -0.080 0.000 0.790 312 G HN 0.152 nan 8.290 nan 0.000 0.631 313 M N 0.801 120.312 119.600 -0.147 0.000 2.619 313 M HA 0.593 5.073 4.480 -0.000 0.000 0.297 313 M C 0.234 176.411 176.300 -0.204 0.000 1.229 313 M CA -1.150 54.047 55.300 -0.172 0.000 0.860 313 M CB 2.600 35.088 32.600 -0.186 0.000 1.741 313 M HN 0.441 nan 8.290 nan 0.000 0.462 314 V N 2.148 121.925 119.914 -0.228 0.000 2.567 314 V HA 0.335 4.455 4.120 -0.000 0.000 0.289 314 V C -0.478 175.442 176.094 -0.290 0.000 1.049 314 V CA -0.788 61.346 62.300 -0.277 0.000 0.969 314 V CB 1.443 32.992 31.823 -0.456 0.000 0.995 314 V HN 0.584 nan 8.190 nan 0.000 0.471 315 L N 5.206 126.243 121.223 -0.310 0.000 2.312 315 L HA 0.564 4.904 4.340 -0.000 0.000 0.281 315 L C -0.340 176.262 176.870 -0.446 0.000 1.070 315 L CA 0.361 54.940 54.840 -0.436 0.000 0.805 315 L CB 1.502 43.252 42.059 -0.516 0.000 1.174 315 L HN 0.465 nan 8.230 nan 0.000 0.434 316 V N 5.701 125.213 119.914 -0.669 0.000 2.443 316 V HA 0.401 4.521 4.120 -0.000 0.000 0.293 316 V C -0.569 174.960 176.094 -0.941 0.000 1.021 316 V CA -0.528 61.375 62.300 -0.662 0.000 0.848 316 V CB 1.159 32.586 31.823 -0.660 0.000 0.998 316 V HN 0.473 nan 8.190 nan 0.000 0.424 317 F N 2.669 122.376 119.950 -0.406 0.000 2.404 317 F HA 0.763 5.290 4.527 -0.000 0.000 0.339 317 F C 0.677 176.373 175.800 -0.173 0.000 1.105 317 F CA -0.021 57.803 58.000 -0.292 0.000 1.087 317 F CB 1.879 40.789 39.000 -0.150 0.000 1.143 317 F HN 0.491 nan 8.300 nan 0.000 0.491 318 S N 3.851 119.665 115.700 0.191 0.000 2.558 318 S HA 0.682 5.152 4.470 -0.000 0.000 0.277 318 S C -1.810 173.008 174.600 0.364 0.000 1.143 318 S CA -0.684 57.660 58.200 0.239 0.000 0.865 318 S CB 1.123 64.470 63.200 0.244 0.000 1.102 318 S HN 0.694 nan 8.310 nan 0.000 0.454 319 I N 5.188 125.955 120.570 0.328 0.000 2.571 319 I HA 0.759 4.929 4.170 -0.000 0.000 0.289 319 I C -1.925 174.367 176.117 0.291 0.000 1.115 319 I CA -0.470 60.967 61.300 0.227 0.000 1.045 319 I CB 1.204 39.258 38.000 0.090 0.000 1.238 319 I HN 0.876 nan 8.210 nan 0.000 0.424 320 W N 6.515 127.847 121.300 0.052 0.000 3.066 320 W HA 0.422 5.082 4.660 -0.000 0.000 0.330 320 W C -2.165 174.374 176.519 0.033 0.000 1.253 320 W CA -0.952 56.413 57.345 0.034 0.000 1.187 320 W CB 0.667 30.178 29.460 0.085 0.000 1.434 320 W HN 0.667 nan 8.180 nan 0.000 0.572 321 N N 0.589 119.403 118.700 0.189 0.000 2.335 321 N HA 0.290 5.030 4.740 -0.000 0.000 0.304 321 N C -1.565 174.146 175.510 0.335 0.000 1.135 321 N CA -0.701 52.388 53.050 0.066 0.000 0.817 321 N CB 2.638 41.148 38.487 0.037 0.000 1.294 321 N HN 0.225 nan 8.380 nan 0.000 0.497 322 D N 0.301 120.855 120.400 0.257 0.000 2.396 322 D HA 0.173 4.813 4.640 -0.000 0.000 0.225 322 D C 0.266 176.755 176.300 0.315 0.000 1.121 322 D CA -0.489 53.738 54.000 0.378 0.000 0.853 322 D CB 0.491 41.504 40.800 0.355 0.000 1.043 322 D HN 0.429 nan 8.370 nan 0.000 0.500 323 N N 1.959 120.822 118.700 0.272 0.000 2.457 323 N HA -0.116 4.624 4.740 -0.000 0.000 0.180 323 N C 1.157 176.741 175.510 0.122 0.000 1.050 323 N CA 0.231 53.429 53.050 0.247 0.000 0.906 323 N CB 0.445 39.047 38.487 0.192 0.000 0.968 323 N HN 0.276 nan 8.380 nan 0.000 0.445 324 S N 0.685 116.409 115.700 0.040 0.000 2.433 324 S HA 0.097 4.567 4.470 -0.000 0.000 0.216 324 S C 1.326 175.737 174.600 -0.315 0.000 1.031 324 S CA 0.449 58.597 58.200 -0.087 0.000 0.931 324 S CB 0.224 63.430 63.200 0.011 0.000 0.875 324 S HN 0.163 nan 8.310 nan 0.000 0.553 325 Q N -0.313 119.390 119.800 -0.162 0.000 2.188 325 Q HA 0.258 4.598 4.340 -0.000 0.000 0.212 325 Q C -1.006 174.917 176.000 -0.130 0.000 0.846 325 Q CA -0.317 55.370 55.803 -0.193 0.000 0.989 325 Q CB 0.412 29.189 28.738 0.064 0.000 1.114 325 Q HN 0.610 nan 8.270 nan 0.000 0.488 326 Y N -1.199 119.149 120.300 0.079 0.000 3.875 326 Y HA -0.332 4.218 4.550 -0.000 0.000 0.216 326 Y C 0.778 176.617 175.900 -0.101 0.000 1.148 326 Y CA 1.020 59.122 58.100 0.003 0.000 1.629 326 Y CB -2.511 35.944 38.460 -0.008 0.000 1.506 326 Y HN 0.412 nan 8.280 nan 0.000 0.629 327 M N -1.126 118.464 119.600 -0.016 0.000 2.762 327 M HA -0.378 4.102 4.480 -0.000 0.000 0.190 327 M C 0.785 176.756 176.300 -0.549 0.000 0.586 327 M CA 1.370 56.411 55.300 -0.432 0.000 0.620 327 M CB -0.850 31.436 32.600 -0.523 0.000 2.269 327 M HN 0.382 nan 8.290 nan 0.000 0.563 328 N N 0.353 118.940 118.700 -0.187 0.000 2.192 328 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 328 N C 1.316 176.759 175.510 -0.111 0.000 1.013 328 N CA 2.131 55.116 53.050 -0.108 0.000 0.863 328 N CB -0.612 37.893 38.487 0.031 0.000 0.990 328 N HN 0.931 nan 8.380 nan 0.000 0.430 329 W N 0.582 121.898 121.300 0.026 0.000 2.421 329 W HA -0.045 4.615 4.660 -0.000 0.000 0.270 329 W C 1.382 177.911 176.519 0.017 0.000 1.233 329 W CA 0.087 57.450 57.345 0.031 0.000 1.226 329 W CB -0.817 28.675 29.460 0.055 0.000 1.121 329 W HN 0.038 nan 8.180 nan 0.000 0.579 330 L N 2.199 123.002 121.223 -0.701 0.000 2.286 330 L HA 0.067 4.407 4.340 -0.000 0.000 0.203 330 L C 1.541 178.191 176.870 -0.366 0.000 1.068 330 L CA 2.324 56.767 54.840 -0.662 0.000 0.811 330 L CB -0.450 40.792 42.059 -1.362 0.000 0.989 330 L HN -0.072 nan 8.230 nan 0.000 0.467 331 D N -1.994 118.183 120.400 -0.372 0.000 2.556 331 D HA 0.188 4.827 4.640 -0.000 0.000 0.237 331 D C 0.484 176.625 176.300 -0.265 0.000 1.296 331 D CA 0.140 53.964 54.000 -0.293 0.000 0.807 331 D CB 0.025 40.667 40.800 -0.264 0.000 1.084 331 D HN 0.169 nan 8.370 nan 0.000 0.510 332 S N -1.379 114.200 115.700 -0.202 0.000 2.823 332 S HA 0.695 5.165 4.470 -0.000 0.000 0.316 332 S C 1.010 175.554 174.600 -0.094 0.000 1.116 332 S CA 0.299 58.415 58.200 -0.140 0.000 0.911 332 S CB 0.923 64.080 63.200 -0.071 0.000 1.276 332 S HN 0.517 nan 8.310 nan 0.000 0.565 333 G N 2.542 111.322 108.800 -0.035 0.000 2.651 333 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.315 333 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.315 333 G C 0.307 175.242 174.900 0.058 0.000 1.258 333 G CA 1.014 46.127 45.100 0.021 0.000 1.002 333 G HN 1.237 nan 8.290 nan 0.000 0.551 334 N N 1.462 120.221 118.700 0.098 0.000 2.398 334 N HA 0.508 5.248 4.740 -0.000 0.000 0.188 334 N C 1.135 176.802 175.510 0.261 0.000 1.122 334 N CA 1.612 54.774 53.050 0.187 0.000 0.866 334 N CB 0.319 38.887 38.487 0.134 0.000 0.970 334 N HN 1.304 nan 8.380 nan 0.000 0.462 335 A N -1.045 121.827 122.820 0.087 0.000 2.589 335 A HA 0.730 5.050 4.320 -0.000 0.000 0.283 335 A C 0.445 177.805 177.584 -0.373 0.000 1.187 335 A CA 0.021 52.079 52.037 0.035 0.000 0.957 335 A CB -0.066 18.968 19.000 0.056 0.000 1.175 335 A HN 0.415 nan 8.150 nan 0.000 0.532 336 G N -0.472 107.783 108.800 -0.908 0.000 2.442 336 G HA2 0.441 4.401 3.960 -0.000 0.000 0.296 336 G HA3 0.441 4.401 3.960 -0.000 0.000 0.296 336 G C -2.595 171.797 174.900 -0.847 0.000 1.564 336 G CA -0.199 44.257 45.100 -1.072 0.000 0.828 336 G HN -0.169 nan 8.290 nan 0.000 0.571 337 P HA 0.036 nan 4.420 nan 0.000 0.223 337 P C 1.057 178.285 177.300 -0.119 0.000 1.151 337 P CA 0.324 63.318 63.100 -0.176 0.000 0.787 337 P CB 0.005 31.681 31.700 -0.041 0.000 0.788 338 c N 1.802 120.309 118.600 -0.155 0.000 2.665 338 c HA 0.210 4.780 4.570 -0.000 0.000 0.416 338 c C 1.708 175.753 174.090 -0.075 0.000 1.305 338 c CA -0.249 56.015 56.329 -0.107 0.000 1.903 338 c CB -0.762 41.672 42.510 -0.126 0.000 2.704 338 c HN 0.360 nan 8.230 nan 0.000 0.629 339 S N 1.805 117.476 115.700 -0.048 0.000 2.632 339 S HA 0.270 4.740 4.470 -0.000 0.000 0.271 339 S C 1.092 175.689 174.600 -0.006 0.000 1.260 339 S CA -0.003 58.184 58.200 -0.022 0.000 1.010 339 S CB 1.105 64.295 63.200 -0.017 0.000 0.965 339 S HN 0.976 nan 8.310 nan 0.000 0.534 340 S N 1.277 116.992 115.700 0.025 0.000 2.380 340 S HA -0.236 4.233 4.470 -0.000 0.000 0.229 340 S C 1.952 176.620 174.600 0.113 0.000 1.043 340 S CA 1.919 60.163 58.200 0.075 0.000 1.038 340 S CB -1.963 61.285 63.200 0.081 0.000 0.872 340 S HN 1.079 nan 8.310 nan 0.000 0.456 341 T N -0.120 114.455 114.554 0.035 0.000 2.851 341 T HA 0.064 4.414 4.350 -0.000 0.000 0.262 341 T C 1.704 176.300 174.700 -0.175 0.000 1.043 341 T CA 1.063 63.130 62.100 -0.055 0.000 1.140 341 T CB -0.767 68.073 68.868 -0.047 0.000 0.872 341 T HN 0.519 nan 8.240 nan 0.000 0.446 342 E N 1.582 121.718 120.200 -0.107 0.000 2.324 342 E HA -0.162 4.188 4.350 -0.000 0.000 0.205 342 E C 1.952 178.464 176.600 -0.147 0.000 1.031 342 E CA 1.282 57.613 56.400 -0.116 0.000 0.836 342 E CB -0.762 28.891 29.700 -0.079 0.000 0.742 342 E HN 0.722 nan 8.360 nan 0.000 0.491 343 G N 0.175 108.880 108.800 -0.158 0.000 3.042 343 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.212 343 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.212 343 G C 0.309 175.075 174.900 -0.224 0.000 1.166 343 G CA -0.257 44.766 45.100 -0.129 0.000 0.767 343 G HN 0.194 nan 8.290 nan 0.000 0.546 344 N N 1.146 119.488 118.700 -0.597 0.000 2.365 344 N HA 0.097 4.837 4.740 -0.000 0.000 0.265 344 N C -1.207 174.180 175.510 -0.204 0.000 1.288 344 N CA -0.907 51.687 53.050 -0.760 0.000 0.869 344 N CB 1.391 39.396 38.487 -0.803 0.000 1.071 344 N HN -0.107 nan 8.380 nan 0.000 0.480 345 P HA -0.167 nan 4.420 nan 0.000 0.216 345 P C 0.790 178.144 177.300 0.089 0.000 1.153 345 P CA 1.241 64.407 63.100 0.110 0.000 0.858 345 P CB 0.211 32.030 31.700 0.198 0.000 0.789 346 S N -0.915 114.808 115.700 0.038 0.000 2.383 346 S HA -0.216 4.254 4.470 -0.000 0.000 0.229 346 S C 1.897 176.474 174.600 -0.038 0.000 1.030 346 S CA 1.440 59.644 58.200 0.008 0.000 1.002 346 S CB -1.309 61.895 63.200 0.006 0.000 0.829 346 S HN 0.370 nan 8.310 nan 0.000 0.467 347 N N 0.748 119.406 118.700 -0.069 0.000 2.331 347 N HA 0.005 4.744 4.740 -0.000 0.000 0.180 347 N C 1.635 177.106 175.510 -0.065 0.000 1.019 347 N CA 0.649 53.651 53.050 -0.081 0.000 0.881 347 N CB -0.048 38.365 38.487 -0.122 0.000 0.972 347 N HN 0.376 nan 8.380 nan 0.000 0.435 348 I N 0.573 121.121 120.570 -0.036 0.000 2.233 348 I HA -0.216 3.954 4.170 -0.000 0.000 0.243 348 I C 2.300 178.397 176.117 -0.033 0.000 1.093 348 I CA 0.474 61.774 61.300 0.001 0.000 1.380 348 I CB -0.243 37.811 38.000 0.089 0.000 1.067 348 I HN 0.187 nan 8.210 nan 0.000 0.413 349 L N 1.373 122.538 121.223 -0.097 0.000 2.079 349 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 349 L C 2.485 179.214 176.870 -0.235 0.000 1.081 349 L CA 2.091 56.694 54.840 -0.395 0.000 0.752 349 L CB -0.773 41.017 42.059 -0.448 0.000 0.896 349 L HN 0.195 nan 8.230 nan 0.000 0.433 350 A N -0.330 122.416 122.820 -0.123 0.000 1.841 350 A HA -0.197 4.122 4.320 -0.000 0.000 0.214 350 A C 2.034 179.577 177.584 -0.068 0.000 1.195 350 A CA 1.978 53.969 52.037 -0.076 0.000 0.611 350 A CB -0.836 18.131 19.000 -0.054 0.000 0.835 350 A HN 0.661 nan 8.150 nan 0.000 0.443 351 N N -1.110 117.550 118.700 -0.067 0.000 2.412 351 N HA 0.069 4.809 4.740 -0.000 0.000 0.184 351 N C -0.018 175.456 175.510 -0.061 0.000 1.101 351 N CA 0.370 53.387 53.050 -0.056 0.000 0.881 351 N CB 0.122 38.579 38.487 -0.050 0.000 0.969 351 N HN 0.573 nan 8.380 nan 0.000 0.459 352 N N -0.595 118.058 118.700 -0.079 0.000 2.820 352 N HA 0.090 4.830 4.740 -0.000 0.000 0.209 352 N C -2.570 172.883 175.510 -0.095 0.000 1.406 352 N CA -0.721 52.284 53.050 -0.075 0.000 0.916 352 N CB 0.831 39.285 38.487 -0.054 0.000 1.532 352 N HN -0.117 nan 8.380 nan 0.000 0.559 353 P HA 0.000 nan 4.420 nan 0.000 0.230 353 P C 0.252 177.424 177.300 -0.215 0.000 1.158 353 P CA 0.801 63.665 63.100 -0.393 0.000 0.769 353 P CB 0.171 31.288 31.700 -0.972 0.000 0.807 354 N N -0.514 118.114 118.700 -0.121 0.000 2.383 354 N HA 0.004 4.744 4.740 -0.000 0.000 0.192 354 N C 0.211 175.776 175.510 0.092 0.000 1.141 354 N CA 0.408 53.455 53.050 -0.004 0.000 0.851 354 N CB -0.491 38.009 38.487 0.022 0.000 0.976 354 N HN 0.256 nan 8.380 nan 0.000 0.465 355 T N 0.701 115.271 114.554 0.026 0.000 2.946 355 T HA 0.047 4.396 4.350 -0.000 0.000 0.311 355 T C 0.178 174.875 174.700 -0.004 0.000 1.063 355 T CA -0.011 62.054 62.100 -0.059 0.000 1.139 355 T CB 0.417 69.250 68.868 -0.059 0.000 0.994 355 T HN 0.373 nan 8.240 nan 0.000 0.547 356 H N -1.078 117.948 119.070 -0.074 0.000 3.068 356 H HA 0.538 5.094 4.556 -0.000 0.000 0.342 356 H C -1.813 173.426 175.328 -0.149 0.000 1.284 356 H CA -1.128 54.861 56.048 -0.100 0.000 1.181 356 H CB 0.804 30.515 29.762 -0.085 0.000 1.898 356 H HN 0.526 nan 8.280 nan 0.000 0.540 357 V N 1.551 121.405 119.914 -0.100 0.000 2.630 357 V HA 0.420 4.540 4.120 -0.000 0.000 0.305 357 V C 0.056 175.952 176.094 -0.330 0.000 1.046 357 V CA -0.927 61.178 62.300 -0.325 0.000 0.934 357 V CB 1.730 33.218 31.823 -0.557 0.000 1.003 357 V HN 0.583 nan 8.190 nan 0.000 0.451 358 V N 4.076 123.760 119.914 -0.383 0.000 2.385 358 V HA 0.413 4.533 4.120 -0.000 0.000 0.277 358 V C -0.843 175.100 176.094 -0.251 0.000 1.012 358 V CA -0.317 61.838 62.300 -0.241 0.000 0.832 358 V CB 0.699 32.493 31.823 -0.048 0.000 1.028 358 V HN 0.633 nan 8.190 nan 0.000 0.436 359 F N 2.815 122.780 119.950 0.026 0.000 2.410 359 F HA 0.671 5.198 4.527 -0.000 0.000 0.348 359 F C 0.916 176.749 175.800 0.056 0.000 1.106 359 F CA -0.269 57.772 58.000 0.068 0.000 1.163 359 F CB 1.669 40.701 39.000 0.053 0.000 1.129 359 F HN 0.521 nan 8.300 nan 0.000 0.516 360 S N 2.229 118.119 115.700 0.317 0.000 2.546 360 S HA 0.395 4.865 4.470 -0.000 0.000 0.274 360 S C -0.548 174.210 174.600 0.263 0.000 1.121 360 S CA -1.196 57.132 58.200 0.214 0.000 0.887 360 S CB 1.642 64.923 63.200 0.135 0.000 1.094 360 S HN 0.796 nan 8.310 nan 0.000 0.474 361 N N 0.555 119.400 118.700 0.241 0.000 2.648 361 N HA -0.133 4.607 4.740 -0.000 0.000 0.265 361 N C -1.067 174.671 175.510 0.380 0.000 1.100 361 N CA 0.265 53.510 53.050 0.326 0.000 0.715 361 N CB -0.776 37.871 38.487 0.267 0.000 0.881 361 N HN 0.732 nan 8.380 nan 0.000 0.548 362 I N 2.595 123.376 120.570 0.352 0.000 2.352 362 I HA 0.203 4.373 4.170 -0.000 0.000 0.290 362 I C 0.649 177.038 176.117 0.454 0.000 1.036 362 I CA -0.061 61.493 61.300 0.422 0.000 1.336 362 I CB 0.771 39.008 38.000 0.394 0.000 1.407 362 I HN 0.215 nan 8.210 nan 0.000 0.497 363 R N 5.911 126.696 120.500 0.473 0.000 2.522 363 R HA 0.571 4.911 4.340 -0.000 0.000 0.283 363 R C -1.931 174.584 176.300 0.359 0.000 1.074 363 R CA -0.983 55.312 56.100 0.325 0.000 0.925 363 R CB 1.075 31.544 30.300 0.282 0.000 1.205 363 R HN 0.619 nan 8.270 nan 0.000 0.436 364 W N 1.310 122.716 121.300 0.176 0.000 2.781 364 W HA 0.889 5.549 4.660 -0.000 0.000 0.345 364 W C -0.419 176.172 176.519 0.121 0.000 1.085 364 W CA -0.562 56.871 57.345 0.147 0.000 1.198 364 W CB 1.695 31.238 29.460 0.137 0.000 1.423 364 W HN 1.018 nan 8.180 nan 0.000 0.532 365 G N 0.594 109.533 108.800 0.231 0.000 2.360 365 G HA2 0.127 4.087 3.960 -0.000 0.000 0.276 365 G HA3 0.127 4.087 3.960 -0.000 0.000 0.276 365 G C -1.318 173.662 174.900 0.132 0.000 1.256 365 G CA -0.989 44.181 45.100 0.117 0.000 0.890 365 G HN 0.532 nan 8.290 nan 0.000 0.486 366 D N 0.338 120.786 120.400 0.081 0.000 2.419 366 D HA 0.168 4.808 4.640 -0.000 0.000 0.236 366 D C 0.947 177.288 176.300 0.068 0.000 1.165 366 D CA 0.476 54.519 54.000 0.073 0.000 0.882 366 D CB 0.809 41.636 40.800 0.045 0.000 1.201 366 D HN 0.352 nan 8.370 nan 0.000 0.443 367 I N 0.804 121.412 120.570 0.063 0.000 2.710 367 I HA 0.020 4.190 4.170 -0.000 0.000 0.286 367 I C 1.813 177.948 176.117 0.030 0.000 1.181 367 I CA 0.601 61.930 61.300 0.048 0.000 1.430 367 I CB 0.274 38.297 38.000 0.038 0.000 1.367 367 I HN 0.693 nan 8.210 nan 0.000 0.577 368 G N 3.995 112.809 108.800 0.024 0.000 2.347 368 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.247 368 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.247 368 G C 1.155 176.061 174.900 0.010 0.000 1.037 368 G CA 0.777 45.885 45.100 0.014 0.000 0.622 368 G HN 0.723 nan 8.290 nan 0.000 0.521 369 S N 0.232 115.940 115.700 0.013 0.000 2.402 369 S HA -0.062 4.408 4.470 -0.000 0.000 0.229 369 S C 2.365 176.959 174.600 -0.010 0.000 1.021 369 S CA 2.325 60.525 58.200 -0.001 0.000 0.974 369 S CB -0.823 62.377 63.200 -0.000 0.000 0.800 369 S HN 1.607 nan 8.310 nan 0.000 0.484 370 T N -1.489 113.071 114.554 0.010 0.000 3.023 370 T HA 0.207 4.557 4.350 -0.000 0.000 0.266 370 T C 0.760 175.463 174.700 0.004 0.000 1.093 370 T CA 0.874 62.980 62.100 0.011 0.000 1.129 370 T CB -1.056 67.853 68.868 0.068 0.000 0.899 370 T HN 0.519 nan 8.240 nan 0.000 0.491 371 T N 0.000 114.558 114.554 0.007 0.000 3.816 371 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 371 T CA 0.000 62.103 62.100 0.005 0.000 1.349 371 T CB 0.000 68.863 68.868 -0.008 0.000 0.612 371 T HN 0.000 nan 8.240 nan 0.000 0.658