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 1hgg_1_C DATA FIRST_RESID 1 DATA SEQUENCE QDLPGNDNST ATLCLGHHAV PNGTLVKTIT DDQIEVTNAT ELVQSSSTGK DATA SEQUENCE IcNNPHRILD GIDcTLIDAL LGDPHcDVFQ NETWDLFVER SKAFSNcYPY DATA SEQUENCE DVPDYASLRS LVASSGTLEF ITEGFTWTGV TQNGGSNAcK RGPGSGFFSR DATA SEQUENCE LNWLTKSGST YPVLNVTMPN NDNFDKLYIW GIHHPSTNQE QTSLYVQASG DATA SEQUENCE RVTVSTRRSQ QTIIPNIGSR PWVRGLSSRI SIYWTIVKPG DVLVINSNGN DATA SEQUENCE LIAPRGYFKM RTGKSSIMRS DAPIDTcISE cITPNGSIPN DKPFQNVNKI DATA SEQUENCE TYGAcPKYVK QNTLKLATGM RNVPEKQT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 176.000 176.000 0.000 0.000 1.003 1 Q CA 0.000 55.803 55.803 0.000 0.000 1.022 1 Q CB 0.000 28.738 28.738 0.000 0.000 1.108 2 D N 0.903 121.303 120.400 0.000 0.000 2.362 2 D HA 0.249 nan 4.640 nan 0.000 0.238 2 D C -1.050 175.250 176.300 0.000 0.000 1.212 2 D CA 0.053 54.053 54.000 0.000 0.000 0.902 2 D CB 0.613 41.413 40.800 0.000 0.000 1.180 2 D HN 0.110 8.480 8.370 0.000 0.000 0.445 3 L N 0.397 121.620 121.223 0.000 0.000 2.488 3 L HA 0.275 nan 4.340 nan 0.000 0.249 3 L C -1.804 175.067 176.870 0.000 0.000 1.151 3 L CA -1.601 53.239 54.840 0.000 0.000 0.806 3 L CB 0.093 42.153 42.059 0.000 0.000 1.261 3 L HN 0.007 8.237 8.230 0.000 0.000 0.484 4 P HA -0.101 nan 4.420 nan 0.000 0.250 4 P C -0.420 176.880 177.300 0.000 0.000 1.161 4 P CA 0.119 63.219 63.100 0.000 0.000 0.863 4 P CB -0.634 31.066 31.700 0.000 0.000 0.827 5 G N 5.291 114.091 108.800 0.000 0.000 2.690 5 G HA2 -0.105 nan 3.960 nan 0.000 0.294 5 G HA3 -0.105 nan 3.960 nan 0.000 0.294 5 G C -0.250 174.650 174.900 0.000 0.000 0.793 5 G CA -0.466 44.634 45.100 0.000 0.000 1.818 5 G HN 0.181 8.471 8.290 0.000 0.000 0.515 6 N N 3.239 121.939 118.700 0.000 0.000 2.037 6 N HA -0.383 nan 4.740 nan 0.000 0.196 6 N C 0.032 175.542 175.510 0.000 0.000 1.034 6 N CA 1.735 54.786 53.050 0.000 0.000 0.861 6 N CB 0.038 38.525 38.487 0.000 0.000 1.039 6 N HN -0.113 8.234 8.380 0.000 0.033 0.427 7 D N -1.476 118.924 120.400 0.000 0.000 2.210 7 D HA 0.061 nan 4.640 nan 0.000 0.249 7 D C -1.228 175.072 176.300 0.000 0.000 1.062 7 D CA -0.255 53.745 54.000 0.000 0.000 0.891 7 D CB 1.433 42.233 40.800 0.000 0.000 1.186 7 D HN -0.196 8.174 8.370 0.000 0.000 0.432 8 N N 1.432 120.132 118.700 0.000 0.000 2.607 8 N HA 0.192 nan 4.740 nan 0.000 0.271 8 N C -0.879 174.631 175.510 0.000 0.000 1.142 8 N CA -0.234 52.816 53.050 0.000 0.000 0.810 8 N CB 1.287 39.774 38.487 0.000 0.000 1.306 8 N HN 0.094 8.475 8.380 0.000 0.000 0.536 9 S N 1.362 117.062 115.700 0.000 0.000 2.786 9 S HA 0.487 nan 4.470 nan 0.000 0.307 9 S C -0.515 174.086 174.600 0.000 0.000 1.121 9 S CA -0.270 57.930 58.200 0.000 0.000 0.975 9 S CB 0.901 64.101 63.200 0.000 0.000 1.220 9 S HN 0.179 8.489 8.310 0.000 0.000 0.550 10 T N -3.829 110.725 114.554 0.000 0.000 2.864 10 T HA 0.829 nan 4.350 nan 0.000 0.289 10 T C -1.600 173.100 174.700 0.000 0.000 1.082 10 T CA -1.030 61.071 62.100 0.001 0.000 1.009 10 T CB 1.994 70.863 68.868 0.001 0.000 1.234 10 T HN 0.557 8.797 8.240 0.000 0.000 0.526 11 A N -0.700 122.121 122.820 0.001 0.000 2.532 11 A HA 0.445 nan 4.320 nan 0.000 0.290 11 A C -1.215 176.369 177.584 0.001 0.000 1.143 11 A CA -0.356 51.682 52.037 0.000 0.000 0.728 11 A CB 1.533 20.533 19.000 0.001 0.000 1.317 11 A HN -0.039 8.111 8.150 0.001 0.000 0.414 12 T N 1.142 115.696 114.554 0.000 0.000 2.861 12 T HA 0.266 nan 4.350 nan 0.000 0.287 12 T C -1.460 173.240 174.700 0.001 0.000 1.003 12 T CA 0.359 62.460 62.100 0.001 0.000 0.977 12 T CB 0.730 69.598 68.868 0.000 0.000 0.996 12 T HN -0.091 8.149 8.240 0.000 0.000 0.448 13 L N 4.339 125.563 121.223 0.001 0.000 2.381 13 L HA 0.391 nan 4.340 nan 0.000 0.274 13 L C -1.099 175.773 176.870 0.002 0.000 0.988 13 L CA -0.199 54.642 54.840 0.001 0.000 0.824 13 L CB 1.277 43.337 42.059 0.002 0.000 1.263 13 L HN 0.104 8.335 8.230 0.002 0.000 0.410 14 C N 5.170 124.471 119.300 0.001 0.000 2.455 14 C HA 0.403 nan 4.460 nan 0.000 0.320 14 C C -0.564 174.428 174.990 0.004 0.000 1.226 14 C CA -1.078 57.941 59.018 0.002 0.000 1.569 14 C CB 1.110 28.849 27.740 -0.002 0.000 2.200 14 C HN 0.139 8.369 8.230 0.000 0.000 0.491 15 L N 2.503 123.732 121.223 0.010 0.000 2.360 15 L HA 0.329 nan 4.340 nan 0.000 0.271 15 L C 0.381 177.262 176.870 0.019 0.000 1.057 15 L CA 0.186 55.036 54.840 0.017 0.000 0.803 15 L CB 0.916 42.990 42.059 0.025 0.000 1.207 15 L HN 0.357 8.594 8.230 0.012 0.000 0.445 16 G N -0.332 108.481 108.800 0.021 0.000 2.606 16 G HA2 0.138 nan 3.960 nan 0.000 0.300 16 G HA3 0.138 nan 3.960 nan 0.000 0.300 16 G C -2.171 172.754 174.900 0.040 0.000 1.360 16 G CA -0.180 44.916 45.100 -0.007 0.000 0.783 16 G HN 0.139 8.443 8.290 0.024 0.000 0.484 17 H N -2.495 116.601 119.070 0.044 0.000 2.946 17 H HA 0.431 nan 4.556 nan 0.000 0.365 17 H C -1.187 174.227 175.328 0.144 0.000 1.197 17 H CA -0.851 55.238 56.048 0.069 0.000 1.131 17 H CB 0.935 30.742 29.762 0.076 0.000 1.849 17 H HN 0.421 8.384 8.280 -0.527 0.000 0.555 18 H N 0.492 119.618 119.070 0.093 0.000 2.703 18 H HA 0.103 nan 4.556 nan 0.000 0.377 18 H C -1.608 173.764 175.328 0.073 0.000 1.392 18 H CA -0.642 55.429 56.048 0.039 0.000 1.458 18 H CB 0.620 30.410 29.762 0.047 0.000 1.529 18 H HN 0.367 8.847 8.280 0.334 0.000 0.619 19 A N -1.889 120.862 122.820 -0.116 0.000 2.604 19 A HA 0.247 nan 4.320 nan 0.000 0.295 19 A C -2.129 175.338 177.584 -0.195 0.000 1.067 19 A CA -0.571 51.370 52.037 -0.161 0.000 0.683 19 A CB 2.448 21.416 19.000 -0.054 0.000 1.281 19 A HN 0.001 8.103 8.150 -0.079 0.000 0.407 20 V N -3.538 116.273 119.914 -0.172 0.000 2.815 20 V HA 0.567 nan 4.120 nan 0.000 0.314 20 V C -1.568 174.486 176.094 -0.066 0.000 1.064 20 V CA -3.428 58.801 62.300 -0.119 0.000 0.952 20 V CB 0.484 32.235 31.823 -0.120 0.000 1.020 20 V HN 0.500 8.999 8.190 -0.146 -0.396 0.439 21 P HA -0.039 nan 4.420 nan 0.000 0.216 21 P C -0.707 176.579 177.300 -0.024 0.000 1.153 21 P CA 2.142 65.225 63.100 -0.029 0.000 0.844 21 P CB 0.172 31.859 31.700 -0.022 0.000 0.787 22 N N -0.962 117.723 118.700 -0.024 0.000 2.158 22 N HA -0.134 nan 4.740 nan 0.000 0.190 22 N C 0.458 175.957 175.510 -0.019 0.000 1.060 22 N CA 0.600 53.639 53.050 -0.018 0.000 0.872 22 N CB -0.348 38.130 38.487 -0.015 0.000 1.055 22 N HN 0.111 8.474 8.380 -0.029 0.000 0.452 23 G N -0.111 108.675 108.800 -0.023 0.000 2.758 23 G HA2 -0.379 nan 3.960 nan 0.000 0.686 23 G HA3 -0.379 nan 3.960 nan 0.000 0.686 23 G C -1.617 173.277 174.900 -0.009 0.000 1.389 23 G CA -0.276 44.812 45.100 -0.019 0.000 0.845 23 G HN -0.244 8.030 8.290 -0.026 0.000 0.572 24 T N 1.241 115.791 114.554 -0.005 0.000 2.933 24 T HA 0.200 nan 4.350 nan 0.000 0.305 24 T C -0.990 173.710 174.700 -0.000 0.000 1.092 24 T CA -0.722 61.377 62.100 -0.001 0.000 1.008 24 T CB 2.832 71.701 68.868 0.002 0.000 1.102 24 T HN 0.218 8.454 8.240 -0.005 0.000 0.469 25 L N 5.074 126.297 121.223 -0.000 0.000 2.326 25 L HA 0.691 nan 4.340 nan 0.000 0.278 25 L C -0.897 175.973 176.870 0.000 0.000 1.092 25 L CA -0.104 54.735 54.840 -0.001 0.000 0.810 25 L CB 0.335 42.393 42.059 -0.002 0.000 1.153 25 L HN 0.174 8.403 8.230 -0.000 0.000 0.439 26 V N -2.481 117.434 119.914 0.001 0.000 3.102 26 V HA 0.633 nan 4.120 nan 0.000 0.312 26 V C -1.828 174.264 176.094 -0.002 0.000 1.135 26 V CA -3.361 58.939 62.300 0.001 0.000 1.022 26 V CB 3.504 35.330 31.823 0.004 0.000 1.056 26 V HN 0.925 9.115 8.190 0.000 0.000 0.436 27 K N 0.409 120.807 120.400 -0.004 0.000 2.087 27 K HA 0.663 nan 4.320 nan 0.000 0.255 27 K C -0.401 176.196 176.600 -0.005 0.000 0.988 27 K CA -0.195 56.088 56.287 -0.007 0.000 0.915 27 K CB 1.474 33.967 32.500 -0.012 0.000 1.043 27 K HN 0.350 8.599 8.250 -0.003 0.000 0.457 28 T N 1.005 115.556 114.554 -0.006 0.000 2.778 28 T HA 0.307 nan 4.350 nan 0.000 0.293 28 T C -0.275 174.421 174.700 -0.006 0.000 1.144 28 T CA -0.997 61.101 62.100 -0.004 0.000 1.010 28 T CB 1.960 70.826 68.868 -0.004 0.000 1.325 28 T HN 0.302 8.537 8.240 -0.007 0.000 0.515 29 I N 1.138 121.705 120.570 -0.005 0.000 2.252 29 I HA -0.076 nan 4.170 nan 0.000 0.245 29 I C 1.442 177.556 176.117 -0.006 0.000 1.102 29 I CA 2.132 63.428 61.300 -0.005 0.000 1.385 29 I CB -0.647 37.351 38.000 -0.004 0.000 1.064 29 I HN 0.234 8.442 8.210 -0.004 0.000 0.414 30 T N -5.540 109.011 114.554 -0.005 0.000 3.044 30 T HA 0.140 nan 4.350 nan 0.000 0.250 30 T C -0.363 174.334 174.700 -0.005 0.000 1.081 30 T CA 0.381 62.478 62.100 -0.004 0.000 1.040 30 T CB 0.509 69.375 68.868 -0.004 0.000 0.962 30 T HN -0.130 8.108 8.240 -0.004 0.000 0.506 31 D N 0.337 120.734 120.400 -0.005 0.000 2.581 31 D HA 0.223 nan 4.640 nan 0.000 0.232 31 D C -1.209 175.088 176.300 -0.006 0.000 1.143 31 D CA -1.028 52.969 54.000 -0.005 0.000 0.881 31 D CB 3.296 44.094 40.800 -0.004 0.000 1.500 31 D HN -0.457 7.910 8.370 -0.005 0.000 0.458 32 D N -3.162 117.234 120.400 -0.006 0.000 2.469 32 D HA -0.045 nan 4.640 nan 0.000 0.213 32 D C -0.884 175.412 176.300 -0.007 0.000 1.135 32 D CA 0.238 54.233 54.000 -0.008 0.000 0.834 32 D CB 1.361 42.155 40.800 -0.010 0.000 1.009 32 D HN 0.169 8.536 8.370 -0.006 0.000 0.507 33 Q N -0.765 119.032 119.800 -0.005 0.000 2.397 33 Q HA 0.167 nan 4.340 nan 0.000 0.260 33 Q C -1.710 174.289 176.000 -0.003 0.000 1.002 33 Q CA -0.821 54.980 55.803 -0.004 0.000 0.716 33 Q CB 2.137 30.873 28.738 -0.004 0.000 1.258 33 Q HN -0.496 7.771 8.270 -0.005 0.000 0.477 34 I N 3.238 123.807 120.570 -0.002 0.000 2.569 34 I HA 0.271 nan 4.170 nan 0.000 0.296 34 I C -2.573 173.544 176.117 -0.000 0.000 1.028 34 I CA -2.079 59.220 61.300 -0.001 0.000 1.082 34 I CB 4.083 42.082 38.000 -0.001 0.000 1.264 34 I HN 0.578 8.787 8.210 -0.002 0.000 0.429 35 E N 7.234 127.434 120.200 0.001 0.000 2.227 35 E HA 0.646 nan 4.350 nan 0.000 0.282 35 E C -1.379 175.222 176.600 0.001 0.000 1.015 35 E CA -1.094 55.306 56.400 0.000 0.000 0.823 35 E CB 1.980 31.679 29.700 -0.001 0.000 1.081 35 E HN 0.067 8.428 8.360 0.001 0.000 0.396 36 V N 0.573 120.488 119.914 0.001 0.000 3.046 36 V HA 0.756 nan 4.120 nan 0.000 0.316 36 V C 0.233 176.326 176.094 -0.002 0.000 1.104 36 V CA -2.943 59.360 62.300 0.004 0.000 1.006 36 V CB 2.445 34.274 31.823 0.010 0.000 1.058 36 V HN 0.675 8.759 8.190 0.000 0.106 0.440 37 T N 2.985 117.539 114.554 -0.001 0.000 2.685 37 T HA -0.370 nan 4.350 nan 0.000 0.268 37 T C -0.885 173.813 174.700 -0.004 0.000 1.034 37 T CA 4.984 67.069 62.100 -0.025 0.000 1.149 37 T CB 0.087 68.962 68.868 0.012 0.000 0.860 37 T HN 0.506 8.755 8.240 0.015 0.000 0.449 38 N N -3.730 114.981 118.700 0.017 0.000 2.935 38 N HA 0.055 nan 4.740 nan 0.000 0.248 38 N C -2.573 172.950 175.510 0.020 0.000 1.276 38 N CA -0.205 52.857 53.050 0.020 0.000 0.906 38 N CB 2.717 41.224 38.487 0.034 0.000 1.564 38 N HN -0.535 7.831 8.380 0.022 0.027 0.500 39 A N -0.081 122.749 122.820 0.017 0.000 2.564 39 A HA 0.668 nan 4.320 nan 0.000 0.288 39 A C -2.293 175.302 177.584 0.018 0.000 1.164 39 A CA -1.308 50.739 52.037 0.018 0.000 0.712 39 A CB 3.411 22.420 19.000 0.015 0.000 1.303 39 A HN 0.211 8.371 8.150 0.016 0.000 0.418 40 T N -1.431 113.136 114.554 0.020 0.000 2.909 40 T HA 0.265 nan 4.350 nan 0.000 0.299 40 T C -2.390 172.325 174.700 0.025 0.000 1.073 40 T CA -1.051 61.061 62.100 0.020 0.000 0.999 40 T CB 3.006 71.885 68.868 0.018 0.000 1.098 40 T HN 0.413 8.560 8.240 0.022 0.106 0.477 41 E N 5.365 125.580 120.200 0.025 0.000 2.259 41 E HA 0.409 nan 4.350 nan 0.000 0.281 41 E C -0.933 175.695 176.600 0.046 0.000 1.027 41 E CA -0.720 55.700 56.400 0.034 0.000 0.838 41 E CB 0.545 30.261 29.700 0.027 0.000 1.066 41 E HN 0.274 8.647 8.360 0.021 0.000 0.401 42 L N 4.787 126.056 121.223 0.077 0.000 2.693 42 L HA 0.256 nan 4.340 nan 0.000 0.235 42 L C -1.237 175.728 176.870 0.159 0.000 1.127 42 L CA 0.014 54.923 54.840 0.115 0.000 0.914 42 L CB 1.227 43.408 42.059 0.204 0.000 1.193 42 L HN 0.542 8.819 8.230 0.077 0.000 0.502 43 V N -0.749 119.236 119.914 0.118 0.000 2.328 43 V HA 0.179 nan 4.120 nan 0.000 0.278 43 V C -1.378 174.754 176.094 0.064 0.000 1.021 43 V CA -1.885 60.481 62.300 0.109 0.000 0.838 43 V CB -0.074 31.782 31.823 0.055 0.000 0.999 43 V HN -0.710 7.775 8.190 0.082 -0.246 0.447 44 Q N 8.120 127.958 119.800 0.063 0.000 2.293 44 Q HA 0.071 nan 4.340 nan 0.000 0.263 44 Q C -0.346 175.684 176.000 0.050 0.000 1.002 44 Q CA -0.567 55.265 55.803 0.048 0.000 0.910 44 Q CB 0.810 29.576 28.738 0.046 0.000 1.185 44 Q HN 0.792 9.007 8.270 0.078 0.101 0.401 45 S N 5.373 121.098 115.700 0.041 0.000 2.843 45 S HA 0.323 nan 4.470 nan 0.000 0.249 45 S C -1.126 173.499 174.600 0.042 0.000 1.047 45 S CA -0.578 57.646 58.200 0.041 0.000 1.042 45 S CB -0.121 63.096 63.200 0.028 0.000 0.936 45 S HN 0.330 8.661 8.310 0.035 0.000 0.531 46 S N 0.381 116.106 115.700 0.043 0.000 2.548 46 S HA 0.060 nan 4.470 nan 0.000 0.278 46 S C -1.748 172.876 174.600 0.040 0.000 1.150 46 S CA -0.436 57.786 58.200 0.038 0.000 0.907 46 S CB 1.991 65.209 63.200 0.030 0.000 1.108 46 S HN -0.629 7.708 8.310 0.044 0.000 0.459 47 S N 1.350 117.073 115.700 0.039 0.000 2.687 47 S HA 0.320 nan 4.470 nan 0.000 0.283 47 S C 1.096 175.714 174.600 0.031 0.000 1.170 47 S CA -1.646 56.577 58.200 0.038 0.000 1.008 47 S CB 1.415 64.638 63.200 0.040 0.000 1.026 47 S HN -0.023 8.309 8.310 0.037 0.000 0.541 48 T N -0.150 114.422 114.554 0.030 0.000 3.035 48 T HA 0.043 nan 4.350 nan 0.000 0.268 48 T C 1.410 176.123 174.700 0.022 0.000 1.109 48 T CA 0.269 62.384 62.100 0.025 0.000 1.119 48 T CB 0.258 69.141 68.868 0.025 0.000 0.900 48 T HN 0.192 8.452 8.240 0.034 0.000 0.503 49 G N 2.233 111.048 108.800 0.024 0.000 2.176 49 G HA2 -0.409 nan 3.960 nan 0.000 0.253 49 G HA3 -0.409 nan 3.960 nan 0.000 0.253 49 G C -1.316 173.595 174.900 0.018 0.000 0.979 49 G CA -0.109 45.003 45.100 0.020 0.000 0.641 49 G HN -0.133 8.140 8.290 0.028 0.034 0.530 50 K N -0.789 119.623 120.400 0.020 0.000 2.464 50 K HA 0.328 nan 4.320 nan 0.000 0.253 50 K C -1.582 175.031 176.600 0.023 0.000 0.933 50 K CA -1.383 54.915 56.287 0.017 0.000 0.801 50 K CB 3.607 36.116 32.500 0.015 0.000 1.271 50 K HN -0.534 7.672 8.250 0.023 0.058 0.430 51 I N 3.384 123.965 120.570 0.020 0.000 2.322 51 I HA 0.096 nan 4.170 nan 0.000 0.292 51 I C -0.849 175.287 176.117 0.031 0.000 1.060 51 I CA -0.808 60.509 61.300 0.028 0.000 1.309 51 I CB 0.528 38.537 38.000 0.015 0.000 1.415 51 I HN 0.755 8.866 8.210 0.012 0.107 0.492 52 c N 9.342 127.968 118.600 0.043 0.000 2.653 52 c HA -0.100 nan 4.570 nan 0.000 0.421 52 c C 0.382 174.499 174.090 0.045 0.000 1.334 52 c CA 0.547 56.899 56.329 0.039 0.000 1.885 52 c CB -0.991 41.543 42.510 0.040 0.000 2.645 52 c HN 0.171 8.433 8.230 0.054 0.000 0.601 53 N N 3.262 121.980 118.700 0.030 0.000 2.362 53 N HA -0.220 nan 4.740 nan 0.000 0.211 53 N C -0.728 174.798 175.510 0.027 0.000 1.170 53 N CA -0.267 52.801 53.050 0.030 0.000 0.828 53 N CB 0.076 38.573 38.487 0.017 0.000 1.034 53 N HN 0.648 9.041 8.380 0.021 0.000 0.475 54 N N -1.651 117.060 118.700 0.019 0.000 2.446 54 N HA 0.277 nan 4.740 nan 0.000 0.272 54 N C -2.452 173.024 175.510 -0.058 0.000 1.127 54 N CA -1.340 51.700 53.050 -0.018 0.000 0.896 54 N CB 3.434 41.912 38.487 -0.015 0.000 1.658 54 N HN -0.859 7.437 8.380 0.031 0.103 0.483 55 P HA 0.020 nan 4.420 nan 0.000 0.249 55 P C -0.925 176.230 177.300 -0.242 0.000 1.229 55 P CA 0.760 63.733 63.100 -0.212 0.000 0.788 55 P CB 0.263 31.818 31.700 -0.242 0.000 1.072 56 H N -1.592 117.533 119.070 0.091 0.000 2.495 56 H HA 0.169 nan 4.556 nan 0.000 0.350 56 H C -0.779 174.594 175.328 0.076 0.000 1.202 56 H CA -0.968 55.150 56.048 0.116 0.000 1.322 56 H CB 1.360 31.246 29.762 0.206 0.000 1.544 56 H HN -0.170 7.986 8.280 -0.121 0.052 0.565 57 R N 1.989 122.608 120.500 0.198 0.000 2.248 57 R HA 0.071 nan 4.340 nan 0.000 0.337 57 R C -0.865 175.514 176.300 0.131 0.000 1.106 57 R CA -0.597 55.583 56.100 0.134 0.000 0.959 57 R CB -0.309 30.064 30.300 0.122 0.000 1.075 57 R HN 0.123 8.897 8.270 0.234 -0.363 0.480 58 I N 6.340 126.961 120.570 0.084 0.000 2.371 58 I HA 0.109 nan 4.170 nan 0.000 0.290 58 I C -1.260 174.860 176.117 0.005 0.000 1.028 58 I CA -0.368 60.950 61.300 0.030 0.000 1.345 58 I CB 1.134 39.139 38.000 0.009 0.000 1.407 58 I HN 0.072 8.327 8.210 0.074 0.000 0.501 59 L N 10.038 131.230 121.223 -0.051 0.000 2.276 59 L HA 0.334 nan 4.340 nan 0.000 0.286 59 L C -2.241 174.401 176.870 -0.380 0.000 1.024 59 L CA -1.516 53.247 54.840 -0.127 0.000 0.826 59 L CB 2.567 44.589 42.059 -0.062 0.000 1.211 59 L HN 0.669 8.852 8.230 -0.077 0.000 0.422 60 D N 6.724 126.986 120.400 -0.231 0.000 2.317 60 D HA 0.167 nan 4.640 nan 0.000 0.252 60 D C 0.569 176.700 176.300 -0.282 0.000 1.174 60 D CA -0.252 53.596 54.000 -0.254 0.000 0.866 60 D CB 1.290 42.025 40.800 -0.109 0.000 1.127 60 D HN 0.326 8.626 8.370 -0.116 0.000 0.467 61 G N 4.169 112.656 108.800 -0.522 0.000 2.744 61 G HA2 -0.078 nan 3.960 nan 0.000 0.211 61 G HA3 -0.078 nan 3.960 nan 0.000 0.211 61 G C 0.336 175.238 174.900 0.004 0.000 1.143 61 G CA 0.021 44.822 45.100 -0.499 0.000 0.788 61 G HN 0.387 8.370 8.290 -0.512 0.000 0.534 62 I N -0.274 120.316 120.570 0.032 0.000 4.907 62 I HA -0.682 nan 4.170 nan 0.000 0.038 62 I C -1.175 174.995 176.117 0.087 0.000 0.635 62 I CA 2.049 63.398 61.300 0.083 0.000 0.208 62 I CB -1.984 36.100 38.000 0.139 0.000 0.321 62 I HN 0.149 8.604 8.210 -0.044 -0.272 0.150 63 D N 0.900 121.382 120.400 0.136 0.000 2.491 63 D HA 0.078 nan 4.640 nan 0.000 0.228 63 D C -0.678 175.628 176.300 0.011 0.000 1.183 63 D CA -1.256 52.821 54.000 0.128 0.000 0.827 63 D CB -1.007 39.968 40.800 0.292 0.000 0.989 63 D HN -0.073 8.403 8.370 0.176 0.000 0.494 64 c N -0.326 118.244 118.600 -0.050 0.000 2.417 64 c HA 0.543 nan 4.570 nan 0.000 0.324 64 c C -0.176 173.835 174.090 -0.132 0.000 1.240 64 c CA -0.751 55.464 56.329 -0.190 0.000 1.632 64 c CB 2.078 44.400 42.510 -0.313 0.000 2.241 64 c HN -0.255 7.787 8.230 -0.002 0.188 0.499 65 T N -0.209 114.275 114.554 -0.117 0.000 2.874 65 T HA 0.315 nan 4.350 nan 0.000 0.281 65 T C 0.753 175.266 174.700 -0.311 0.000 0.994 65 T CA -1.579 60.457 62.100 -0.107 0.000 1.015 65 T CB 1.519 70.371 68.868 -0.028 0.000 1.028 65 T HN 0.261 8.437 8.240 -0.106 0.000 0.523 66 L N 0.961 121.832 121.223 -0.587 0.000 2.046 66 L HA -0.195 nan 4.340 nan 0.000 0.208 66 L C 1.103 177.595 176.870 -0.631 0.000 1.077 66 L CA 3.346 57.568 54.840 -1.029 0.000 0.747 66 L CB 0.048 41.303 42.059 -1.340 0.000 0.896 66 L HN -0.088 8.109 8.230 -0.483 -0.257 0.432 67 I N -2.136 118.159 120.570 -0.459 0.000 2.226 67 I HA -0.501 nan 4.170 nan 0.000 0.245 67 I C 2.039 177.973 176.117 -0.305 0.000 1.100 67 I CA 2.676 63.737 61.300 -0.398 0.000 1.374 67 I CB -1.616 36.183 38.000 -0.334 0.000 1.057 67 I HN -0.137 7.833 8.210 -0.401 0.000 0.413 68 D N -0.085 120.207 120.400 -0.179 0.000 2.144 68 D HA -0.261 nan 4.640 nan 0.000 0.199 68 D C 2.334 178.529 176.300 -0.175 0.000 0.984 68 D CA 3.634 57.561 54.000 -0.122 0.000 0.834 68 D CB -0.401 40.372 40.800 -0.045 0.000 0.955 68 D HN -0.688 7.608 8.370 -0.124 0.000 0.465 69 A N -0.290 122.369 122.820 -0.268 0.000 1.933 69 A HA -0.207 nan 4.320 nan 0.000 0.218 69 A C 1.584 179.083 177.584 -0.142 0.000 1.175 69 A CA 2.951 54.855 52.037 -0.222 0.000 0.628 69 A CB -0.456 18.286 19.000 -0.430 0.000 0.814 69 A HN -0.307 7.569 8.150 -0.338 0.071 0.444 70 L N -1.973 119.093 121.223 -0.262 0.000 2.005 70 L HA -0.228 nan 4.340 nan 0.000 0.207 70 L C 1.467 178.247 176.870 -0.150 0.000 1.072 70 L CA 2.848 57.513 54.840 -0.290 0.000 0.744 70 L CB 0.032 41.782 42.059 -0.515 0.000 0.895 70 L HN -0.428 7.493 8.230 -0.355 0.096 0.433 71 L N -4.896 116.180 121.223 -0.245 0.000 2.093 71 L HA -0.283 nan 4.340 nan 0.000 0.208 71 L C 0.903 177.760 176.870 -0.021 0.000 1.085 71 L CA 1.946 56.629 54.840 -0.263 0.000 0.755 71 L CB 0.477 42.128 42.059 -0.680 0.000 0.904 71 L HN 0.152 8.193 8.230 -0.315 0.000 0.435 72 G N -5.303 103.519 108.800 0.037 0.000 2.288 72 G HA2 -0.459 nan 3.960 nan 0.000 0.205 72 G HA3 -0.459 nan 3.960 nan 0.000 0.205 72 G C -1.605 173.370 174.900 0.126 0.000 1.071 72 G CA -0.688 44.459 45.100 0.077 0.000 0.788 72 G HN 0.003 8.277 8.290 -0.026 0.000 0.491 73 D N 1.936 122.422 120.400 0.145 0.000 2.533 73 D HA 0.048 nan 4.640 nan 0.000 0.236 73 D C -0.232 176.076 176.300 0.014 0.000 1.137 73 D CA -0.882 53.153 54.000 0.058 0.000 0.867 73 D CB 0.867 41.724 40.800 0.094 0.000 1.170 73 D HN -0.628 7.811 8.370 0.115 0.000 0.474 74 P HA -0.329 nan 4.420 nan 0.000 0.219 74 P C 1.187 178.542 177.300 0.092 0.000 1.161 74 P CA 2.731 65.863 63.100 0.052 0.000 0.909 74 P CB -0.053 31.682 31.700 0.059 0.000 0.793 75 H N -4.694 114.394 119.070 0.030 0.000 2.561 75 H HA -0.015 nan 4.556 nan 0.000 0.278 75 H C 0.836 176.198 175.328 0.058 0.000 1.014 75 H CA 2.260 58.334 56.048 0.043 0.000 1.211 75 H CB -0.876 28.913 29.762 0.046 0.000 1.365 75 H HN -0.014 8.710 8.280 0.276 -0.279 0.594 76 c N 0.269 118.728 118.600 -0.234 0.000 2.884 76 c HA 0.282 nan 4.570 nan 0.000 0.287 76 c C 0.396 174.554 174.090 0.114 0.000 1.310 76 c CA -0.954 55.337 56.329 -0.063 0.000 1.725 76 c CB -0.831 41.579 42.510 -0.167 0.000 2.060 76 c HN 0.084 8.032 8.230 -0.157 0.187 0.618 77 D N 2.133 122.560 120.400 0.046 0.000 2.309 77 D HA -0.157 nan 4.640 nan 0.000 0.212 77 D C 1.720 178.031 176.300 0.018 0.000 0.968 77 D CA 3.309 57.337 54.000 0.048 0.000 0.882 77 D CB -0.383 40.437 40.800 0.033 0.000 0.918 77 D HN 0.159 8.382 8.370 0.026 0.164 0.503 78 V N -0.861 119.013 119.914 -0.065 0.000 2.380 78 V HA -0.319 nan 4.120 nan 0.000 0.251 78 V C 1.736 177.663 176.094 -0.279 0.000 1.063 78 V CA 2.871 65.022 62.300 -0.249 0.000 1.055 78 V CB -0.534 30.975 31.823 -0.523 0.000 0.657 78 V HN -0.272 7.845 8.190 -0.042 0.048 0.455 79 F N -4.029 115.932 119.950 0.019 0.000 2.804 79 F HA 0.068 nan 4.527 nan 0.000 0.303 79 F C 0.059 175.917 175.800 0.096 0.000 1.154 79 F CA 0.229 58.269 58.000 0.065 0.000 1.401 79 F CB -0.555 38.489 39.000 0.074 0.000 1.106 79 F HN -0.444 7.938 8.300 0.193 0.034 0.568 80 Q N 0.086 119.997 119.800 0.186 0.000 2.330 80 Q HA -0.292 nan 4.340 nan 0.000 0.279 80 Q C 0.041 176.144 176.000 0.172 0.000 1.024 80 Q CA 1.481 57.386 55.803 0.169 0.000 0.900 80 Q CB -0.058 28.741 28.738 0.100 0.000 1.221 80 Q HN -0.670 7.596 8.270 0.110 0.070 0.396 81 N N -1.228 117.594 118.700 0.204 0.000 2.713 81 N HA -0.463 nan 4.740 nan 0.000 0.251 81 N C -0.866 174.753 175.510 0.180 0.000 1.117 81 N CA 1.680 54.833 53.050 0.171 0.000 0.770 81 N CB -1.158 37.391 38.487 0.104 0.000 1.137 81 N HN 0.582 9.110 8.380 0.247 0.000 0.566 82 E N -2.039 118.323 120.200 0.269 0.000 2.391 82 E HA 0.131 nan 4.350 nan 0.000 0.255 82 E C -0.508 176.299 176.600 0.345 0.000 1.187 82 E CA -0.019 56.570 56.400 0.314 0.000 0.941 82 E CB 1.886 31.852 29.700 0.444 0.000 1.010 82 E HN -0.235 8.248 8.360 0.310 0.062 0.458 83 T N -5.649 109.094 114.554 0.315 0.000 2.841 83 T HA 0.911 nan 4.350 nan 0.000 0.296 83 T C -1.575 173.293 174.700 0.281 0.000 1.166 83 T CA -1.759 60.390 62.100 0.082 0.000 1.007 83 T CB 2.253 71.080 68.868 -0.068 0.000 1.253 83 T HN -0.007 8.431 8.240 0.329 0.000 0.511 84 W N -2.719 118.626 121.300 0.076 0.000 3.161 84 W HA 0.370 nan 4.660 nan 0.000 0.314 84 W C -2.101 174.443 176.519 0.041 0.000 1.245 84 W CA -0.319 57.063 57.345 0.062 0.000 1.191 84 W CB 1.226 30.744 29.460 0.096 0.000 1.392 84 W HN -0.021 7.723 8.180 -0.728 0.000 0.568 85 D N -0.834 119.682 120.400 0.193 0.000 2.277 85 D HA 0.186 nan 4.640 nan 0.000 0.209 85 D C -0.799 175.543 176.300 0.070 0.000 0.970 85 D CA 2.373 56.453 54.000 0.133 0.000 0.874 85 D CB 2.409 43.328 40.800 0.198 0.000 0.982 85 D HN 0.294 8.693 8.370 0.229 0.109 0.504 86 L N -2.587 118.712 121.223 0.127 0.000 2.541 86 L HA 0.336 nan 4.340 nan 0.000 0.266 86 L C -2.854 174.011 176.870 -0.008 0.000 0.966 86 L CA 0.269 55.045 54.840 -0.106 0.000 0.871 86 L CB 2.849 44.615 42.059 -0.487 0.000 1.232 86 L HN -0.525 7.836 8.230 0.217 0.000 0.408 87 F N 8.846 128.596 119.950 -0.332 0.000 2.420 87 F HA 0.473 nan 4.527 nan 0.000 0.352 87 F C -1.937 173.654 175.800 -0.348 0.000 1.108 87 F CA -1.242 56.412 58.000 -0.577 0.000 1.162 87 F CB 1.974 40.274 39.000 -1.167 0.000 1.118 87 F HN 0.354 8.650 8.300 -0.008 0.000 0.510 88 V N 8.927 128.598 119.914 -0.404 0.000 2.383 88 V HA 0.222 nan 4.120 nan 0.000 0.275 88 V C -1.497 174.482 176.094 -0.190 0.000 1.036 88 V CA -1.007 61.165 62.300 -0.213 0.000 0.889 88 V CB 0.034 31.744 31.823 -0.189 0.000 0.985 88 V HN 0.811 8.595 8.190 -0.676 0.000 0.459 89 E N 7.732 127.918 120.200 -0.024 0.000 2.197 89 E HA 0.423 nan 4.350 nan 0.000 0.281 89 E C -1.217 175.376 176.600 -0.013 0.000 0.995 89 E CA -0.798 55.613 56.400 0.019 0.000 0.808 89 E CB 2.409 32.138 29.700 0.049 0.000 1.093 89 E HN 0.513 8.760 8.360 -0.010 0.107 0.394 90 R N 3.073 123.568 120.500 -0.009 0.000 2.536 90 R HA 0.371 nan 4.340 nan 0.000 0.279 90 R C 1.754 178.066 176.300 0.020 0.000 1.001 90 R CA -2.814 53.287 56.100 0.002 0.000 1.027 90 R CB 1.152 31.457 30.300 0.009 0.000 1.096 90 R HN 0.635 8.902 8.270 -0.005 0.000 0.502 91 S N 3.986 119.698 115.700 0.020 0.000 2.442 91 S HA -0.206 nan 4.470 nan 0.000 0.236 91 S C 0.821 175.448 174.600 0.045 0.000 1.007 91 S CA 3.040 61.255 58.200 0.024 0.000 0.965 91 S CB -0.223 62.986 63.200 0.016 0.000 0.773 91 S HN 0.593 9.392 8.310 0.014 -0.480 0.504 92 K N -0.809 119.629 120.400 0.062 0.000 2.459 92 K HA 0.050 nan 4.320 nan 0.000 0.193 92 K C -0.096 176.611 176.600 0.179 0.000 1.030 92 K CA -1.080 55.269 56.287 0.104 0.000 1.026 92 K CB -0.282 32.279 32.500 0.101 0.000 0.809 92 K HN -0.148 8.086 8.250 0.051 0.046 0.504 93 A N 0.498 123.397 122.820 0.132 0.000 2.483 93 A HA -0.014 nan 4.320 nan 0.000 0.238 93 A C -1.256 176.434 177.584 0.177 0.000 1.070 93 A CA 0.824 52.933 52.037 0.120 0.000 0.770 93 A CB 0.559 19.583 19.000 0.040 0.000 1.008 93 A HN -0.615 7.514 8.150 0.085 0.072 0.497 94 F N 1.027 121.048 119.950 0.118 0.000 2.613 94 F HA 0.333 nan 4.527 nan 0.000 0.310 94 F C -2.137 173.755 175.800 0.152 0.000 1.085 94 F CA -1.956 56.083 58.000 0.066 0.000 0.945 94 F CB 2.750 41.738 39.000 -0.021 0.000 1.298 94 F HN 0.057 8.176 8.300 -0.302 0.000 0.455 95 S N -0.544 115.261 115.700 0.175 0.000 2.608 95 S HA 0.106 nan 4.470 nan 0.000 0.291 95 S C -1.494 173.257 174.600 0.251 0.000 1.146 95 S CA -0.424 57.889 58.200 0.188 0.000 1.043 95 S CB 1.588 64.906 63.200 0.197 0.000 1.037 95 S HN -0.135 8.302 8.310 0.211 0.000 0.520 96 N N 1.671 120.503 118.700 0.219 0.000 2.581 96 N HA 0.118 nan 4.740 nan 0.000 0.274 96 N C -2.575 172.996 175.510 0.102 0.000 1.629 96 N CA 0.362 53.522 53.050 0.184 0.000 0.884 96 N CB 0.824 39.458 38.487 0.245 0.000 1.423 96 N HN 0.313 9.189 8.380 0.241 -0.351 0.507 97 c N -3.271 115.368 118.600 0.065 0.000 3.299 97 c HA 0.307 nan 4.570 nan 0.000 0.366 97 c C -1.715 172.366 174.090 -0.016 0.000 3.078 97 c CA -2.100 54.172 56.329 -0.096 0.000 1.335 97 c CB 2.801 45.062 42.510 -0.415 0.000 3.510 97 c HN -0.286 8.027 8.230 0.139 0.000 0.476 98 Y N 2.300 122.472 120.300 -0.215 0.000 2.717 98 Y HA -0.067 nan 4.550 nan 0.000 0.330 98 Y C -2.045 173.986 175.900 0.219 0.000 1.217 98 Y CA -0.569 57.553 58.100 0.036 0.000 1.506 98 Y CB 0.112 38.610 38.460 0.064 0.000 1.268 98 Y HN 0.138 8.178 8.280 -0.400 0.000 0.561 99 P HA -0.024 nan 4.420 nan 0.000 0.262 99 P C -2.172 175.317 177.300 0.315 0.000 1.199 99 P CA 0.381 63.550 63.100 0.116 0.000 0.763 99 P CB -0.039 31.622 31.700 -0.065 0.000 0.790 100 Y N 0.776 121.164 120.300 0.147 0.000 2.605 100 Y HA 0.747 nan 4.550 nan 0.000 0.343 100 Y C -2.262 173.645 175.900 0.012 0.000 1.036 100 Y CA -2.885 55.264 58.100 0.081 0.000 1.065 100 Y CB 3.378 41.829 38.460 -0.015 0.000 1.288 100 Y HN -0.362 7.847 8.280 -0.117 0.000 0.481 101 D N -2.574 117.868 120.400 0.071 0.000 2.581 101 D HA 0.144 nan 4.640 nan 0.000 0.232 101 D C -2.276 174.065 176.300 0.069 0.000 1.143 101 D CA -1.398 52.577 54.000 -0.042 0.000 0.881 101 D CB 3.851 44.613 40.800 -0.064 0.000 1.500 101 D HN 0.309 8.781 8.370 0.170 0.000 0.458 102 V N -0.663 119.290 119.914 0.066 0.000 2.443 102 V HA 0.345 nan 4.120 nan 0.000 0.293 102 V C -0.725 175.352 176.094 -0.029 0.000 1.021 102 V CA -2.928 59.381 62.300 0.014 0.000 0.848 102 V CB 1.360 33.282 31.823 0.166 0.000 0.998 102 V HN 0.322 8.528 8.190 0.027 0.000 0.424 103 P HA -0.180 nan 4.420 nan 0.000 0.214 103 P C -0.477 176.832 177.300 0.015 0.000 1.169 103 P CA 2.276 65.331 63.100 -0.075 0.000 0.908 103 P CB 0.467 32.094 31.700 -0.122 0.000 0.791 104 D N -3.958 116.473 120.400 0.053 0.000 2.736 104 D HA 0.148 nan 4.640 nan 0.000 0.293 104 D C -0.080 176.280 176.300 0.100 0.000 1.241 104 D CA -2.337 51.725 54.000 0.102 0.000 0.965 104 D CB -0.803 40.087 40.800 0.150 0.000 0.992 104 D HN -0.242 8.148 8.370 0.034 0.000 0.510 105 Y N 5.814 126.090 120.300 -0.040 0.000 2.102 105 Y HA -0.625 nan 4.550 nan 0.000 0.280 105 Y C 0.159 176.009 175.900 -0.083 0.000 1.178 105 Y CA 4.418 62.477 58.100 -0.068 0.000 1.146 105 Y CB 0.110 38.529 38.460 -0.069 0.000 0.968 105 Y HN -0.575 7.766 8.280 0.194 0.054 0.504 106 A N -3.435 119.470 122.820 0.143 0.000 1.917 106 A HA -0.420 nan 4.320 nan 0.000 0.219 106 A C 2.371 179.919 177.584 -0.061 0.000 1.182 106 A CA 3.203 55.269 52.037 0.048 0.000 0.633 106 A CB -1.346 17.693 19.000 0.065 0.000 0.819 106 A HN 0.490 8.759 8.150 0.206 0.004 0.448 107 S N -0.529 115.144 115.700 -0.046 0.000 2.395 107 S HA -0.149 nan 4.470 nan 0.000 0.225 107 S C 1.751 176.183 174.600 -0.280 0.000 1.027 107 S CA 3.402 61.546 58.200 -0.094 0.000 0.965 107 S CB 0.149 63.368 63.200 0.032 0.000 0.812 107 S HN -0.557 7.962 8.310 0.016 -0.199 0.482 108 L N 2.565 123.575 121.223 -0.355 0.000 2.017 108 L HA -0.315 nan 4.340 nan 0.000 0.208 108 L C 0.746 177.293 176.870 -0.538 0.000 1.073 108 L CA 3.115 57.598 54.840 -0.594 0.000 0.745 108 L CB -0.337 41.415 42.059 -0.512 0.000 0.894 108 L HN -0.059 8.041 8.230 -0.216 0.000 0.432 109 R N -1.609 118.572 120.500 -0.532 0.000 2.091 109 R HA -0.493 nan 4.340 nan 0.000 0.238 109 R C 2.106 178.209 176.300 -0.328 0.000 1.136 109 R CA 3.828 59.638 56.100 -0.483 0.000 0.959 109 R CB -0.323 29.698 30.300 -0.466 0.000 0.856 109 R HN 0.539 8.468 8.270 -0.569 0.000 0.437 110 S N -0.448 115.101 115.700 -0.251 0.000 2.348 110 S HA -0.292 nan 4.470 nan 0.000 0.221 110 S C 2.007 176.497 174.600 -0.184 0.000 1.033 110 S CA 3.265 61.363 58.200 -0.171 0.000 1.010 110 S CB -0.194 62.933 63.200 -0.122 0.000 0.891 110 S HN -0.654 7.434 8.310 -0.247 0.074 0.442 111 L N 1.102 122.159 121.223 -0.276 0.000 1.990 111 L HA -0.451 nan 4.340 nan 0.000 0.213 111 L C 2.046 178.767 176.870 -0.248 0.000 1.072 111 L CA 3.660 58.312 54.840 -0.313 0.000 0.755 111 L CB 0.129 41.849 42.059 -0.565 0.000 0.889 111 L HN 0.051 8.084 8.230 -0.329 0.000 0.432 112 V N -2.226 117.514 119.914 -0.289 0.000 2.307 112 V HA -0.493 nan 4.120 nan 0.000 0.245 112 V C 1.708 177.798 176.094 -0.006 0.000 1.045 112 V CA 4.195 66.376 62.300 -0.198 0.000 1.024 112 V CB -1.005 30.628 31.823 -0.316 0.000 0.651 112 V HN -0.330 7.635 8.190 -0.375 0.000 0.449 113 A N -1.227 121.571 122.820 -0.037 0.000 1.892 113 A HA -0.389 nan 4.320 nan 0.000 0.218 113 A C 2.073 179.786 177.584 0.216 0.000 1.188 113 A CA 3.581 55.691 52.037 0.121 0.000 0.631 113 A CB -0.599 18.383 19.000 -0.031 0.000 0.822 113 A HN 0.177 8.163 8.150 -0.165 0.065 0.447 114 S N -4.463 111.268 115.700 0.053 0.000 2.501 114 S HA -0.146 nan 4.470 nan 0.000 0.220 114 S C 1.788 176.363 174.600 -0.042 0.000 0.997 114 S CA 2.609 60.826 58.200 0.028 0.000 0.919 114 S CB -0.098 63.105 63.200 0.005 0.000 0.778 114 S HN 0.064 8.367 8.310 -0.012 0.000 0.523 115 S N 1.893 117.548 115.700 -0.074 0.000 2.368 115 S HA -0.234 nan 4.470 nan 0.000 0.225 115 S C 1.435 175.875 174.600 -0.266 0.000 1.030 115 S CA 1.781 59.904 58.200 -0.129 0.000 0.999 115 S CB -0.097 63.034 63.200 -0.115 0.000 0.844 115 S HN -0.695 7.484 8.310 -0.057 0.097 0.459 116 G N -0.324 108.214 108.800 -0.436 0.000 2.143 116 G HA2 -0.327 nan 3.960 nan 0.000 0.249 116 G HA3 -0.327 nan 3.960 nan 0.000 0.249 116 G C -2.438 171.610 174.900 -1.420 0.000 0.981 116 G CA 0.475 44.876 45.100 -1.166 0.000 0.665 116 G HN -0.212 7.965 8.290 -0.189 0.000 0.528 117 T N -1.479 112.601 114.554 -0.790 0.000 2.933 117 T HA 0.544 nan 4.350 nan 0.000 0.305 117 T C -1.529 173.159 174.700 -0.020 0.000 1.092 117 T CA -1.047 60.809 62.100 -0.406 0.000 1.008 117 T CB 1.837 70.574 68.868 -0.217 0.000 1.102 117 T HN -0.942 6.967 8.240 -0.488 0.038 0.469 118 L N 3.808 125.157 121.223 0.209 0.000 2.910 118 L HA 0.341 nan 4.340 nan 0.000 0.252 118 L C -0.338 176.791 176.870 0.432 0.000 1.195 118 L CA -1.079 53.999 54.840 0.396 0.000 1.003 118 L CB 0.626 42.933 42.059 0.413 0.000 1.328 118 L HN 0.661 9.005 8.230 0.190 0.000 0.540 119 E N 0.955 121.297 120.200 0.236 0.000 2.606 119 E HA -0.317 nan 4.350 nan 0.000 0.248 119 E C -1.668 174.988 176.600 0.094 0.000 1.005 119 E CA 1.369 57.843 56.400 0.123 0.000 0.946 119 E CB -0.119 29.588 29.700 0.012 0.000 0.928 119 E HN -0.595 7.789 8.360 0.154 0.068 0.494 120 F N 6.885 126.720 119.950 -0.192 0.000 2.469 120 F HA 0.569 nan 4.527 nan 0.000 0.332 120 F C -1.342 174.219 175.800 -0.399 0.000 1.103 120 F CA -1.171 56.555 58.000 -0.456 0.000 0.979 120 F CB 2.489 41.170 39.000 -0.531 0.000 1.137 120 F HN -0.139 8.545 8.300 0.117 -0.314 0.463 121 I N 7.116 126.945 120.570 -1.235 0.000 2.404 121 I HA 0.245 nan 4.170 nan 0.000 0.293 121 I C -1.095 174.356 176.117 -1.109 0.000 0.992 121 I CA -2.344 58.356 61.300 -0.999 0.000 1.149 121 I CB 2.162 39.397 38.000 -1.274 0.000 1.315 121 I HN 0.824 7.999 8.210 -1.726 0.000 0.446 122 T N 7.704 121.968 114.554 -0.484 0.000 2.845 122 T HA 0.217 nan 4.350 nan 0.000 0.288 122 T C -1.072 173.573 174.700 -0.091 0.000 0.980 122 T CA -0.554 61.429 62.100 -0.194 0.000 1.071 122 T CB 0.587 69.490 68.868 0.059 0.000 0.941 122 T HN 0.204 8.261 8.240 -0.305 0.000 0.487 123 E N 5.273 125.509 120.200 0.060 0.000 2.263 123 E HA 0.306 nan 4.350 nan 0.000 0.264 123 E C -0.060 176.550 176.600 0.018 0.000 0.923 123 E CA -1.537 54.874 56.400 0.019 0.000 0.802 123 E CB 3.115 32.813 29.700 -0.003 0.000 1.228 123 E HN 0.276 8.657 8.360 0.208 0.104 0.417 124 G N 1.660 110.389 108.800 -0.119 0.000 3.213 124 G HA2 0.121 nan 3.960 nan 0.000 0.263 124 G HA3 0.121 nan 3.960 nan 0.000 0.263 124 G C -0.816 173.957 174.900 -0.212 0.000 0.829 124 G CA -0.409 44.634 45.100 -0.095 0.000 1.983 124 G HN 0.507 8.701 8.290 -0.159 0.000 0.616 125 F N 2.577 122.487 119.950 -0.066 0.000 2.484 125 F HA -0.108 nan 4.527 nan 0.000 0.360 125 F C -0.059 175.434 175.800 -0.513 0.000 1.101 125 F CA 0.880 58.684 58.000 -0.327 0.000 1.251 125 F CB 0.969 39.834 39.000 -0.224 0.000 1.132 125 F HN -0.574 7.855 8.300 0.287 0.044 0.570 126 T N 5.896 120.139 114.554 -0.518 0.000 2.821 126 T HA 0.168 nan 4.350 nan 0.000 0.307 126 T C -0.886 173.498 174.700 -0.527 0.000 1.034 126 T CA -0.456 61.410 62.100 -0.390 0.000 0.953 126 T CB 0.117 68.852 68.868 -0.221 0.000 0.968 126 T HN 0.066 7.984 8.240 -0.538 0.000 0.462 127 W N 7.250 128.586 121.300 0.060 0.000 2.311 127 W HA 0.153 nan 4.660 nan 0.000 0.317 127 W C -0.150 176.353 176.519 -0.027 0.000 1.065 127 W CA -1.386 55.965 57.345 0.011 0.000 1.364 127 W CB 0.066 29.530 29.460 0.007 0.000 1.233 127 W HN 0.295 8.455 8.180 -0.035 0.000 0.409 128 T N -0.591 114.008 114.554 0.075 0.000 2.744 128 T HA 0.267 nan 4.350 nan 0.000 0.291 128 T C 0.532 175.233 174.700 0.002 0.000 0.957 128 T CA -0.755 61.361 62.100 0.027 0.000 1.002 128 T CB 0.013 68.876 68.868 -0.008 0.000 0.919 128 T HN 0.214 8.480 8.240 0.043 0.000 0.468 129 G N 4.116 112.910 108.800 -0.009 0.000 2.184 129 G HA2 -0.301 nan 3.960 nan 0.000 0.206 129 G HA3 -0.301 nan 3.960 nan 0.000 0.206 129 G C -2.299 172.550 174.900 -0.085 0.000 0.995 129 G CA 0.119 45.192 45.100 -0.045 0.000 0.651 129 G HN 0.573 8.868 8.290 0.009 0.000 0.511 130 V N -5.967 113.902 119.914 -0.075 0.000 3.074 130 V HA 0.726 nan 4.120 nan 0.000 0.314 130 V C -0.897 175.181 176.094 -0.027 0.000 1.117 130 V CA -3.246 58.996 62.300 -0.097 0.000 1.014 130 V CB 2.319 34.016 31.823 -0.209 0.000 1.057 130 V HN -0.765 7.416 8.190 -0.015 0.000 0.438 131 T N 4.221 118.754 114.554 -0.035 0.000 2.806 131 T HA 0.337 nan 4.350 nan 0.000 0.290 131 T C -0.814 173.852 174.700 -0.057 0.000 0.966 131 T CA -0.008 62.064 62.100 -0.046 0.000 1.060 131 T CB 0.552 69.370 68.868 -0.085 0.000 0.927 131 T HN 0.388 8.496 8.240 -0.033 0.113 0.485 132 Q N 3.817 123.601 119.800 -0.027 0.000 2.194 132 Q HA 0.470 nan 4.340 nan 0.000 0.245 132 Q C 0.023 175.994 176.000 -0.048 0.000 0.993 132 Q CA -0.597 55.194 55.803 -0.020 0.000 0.930 132 Q CB 1.904 30.683 28.738 0.068 0.000 1.238 132 Q HN 0.297 8.563 8.270 -0.008 0.000 0.486 133 N N -4.163 114.524 118.700 -0.022 0.000 2.741 133 N HA -0.323 nan 4.740 nan 0.000 0.250 133 N C -0.079 175.379 175.510 -0.087 0.000 1.115 133 N CA 1.038 54.084 53.050 -0.008 0.000 0.724 133 N CB -1.050 37.449 38.487 0.020 0.000 1.090 133 N HN 0.349 9.047 8.380 -0.008 -0.323 0.558 134 G N -0.808 107.859 108.800 -0.222 0.000 2.559 134 G HA2 -0.142 nan 3.960 nan 0.000 0.235 134 G HA3 -0.142 nan 3.960 nan 0.000 0.235 134 G C -0.884 173.848 174.900 -0.279 0.000 1.266 134 G CA 0.227 45.054 45.100 -0.454 0.000 0.847 134 G HN -0.439 7.692 8.290 -0.209 0.034 0.583 135 G N -0.629 108.049 108.800 -0.203 0.000 2.827 135 G HA2 0.508 nan 3.960 nan 0.000 0.296 135 G HA3 0.508 nan 3.960 nan 0.000 0.296 135 G C -2.532 172.514 174.900 0.243 0.000 1.362 135 G CA -0.502 44.694 45.100 0.159 0.000 0.809 135 G HN -0.409 7.678 8.290 -0.338 0.000 0.522 136 S N -3.520 112.410 115.700 0.383 0.000 2.570 136 S HA 0.297 nan 4.470 nan 0.000 0.270 136 S C -0.626 174.103 174.600 0.215 0.000 1.149 136 S CA -1.527 56.890 58.200 0.361 0.000 0.837 136 S CB 1.824 65.439 63.200 0.691 0.000 1.124 136 S HN 0.236 8.731 8.310 0.386 0.047 0.465 137 N N 2.627 121.408 118.700 0.135 0.000 2.512 137 N HA -0.128 nan 4.740 nan 0.000 0.183 137 N C 0.460 175.998 175.510 0.046 0.000 1.073 137 N CA 1.721 54.814 53.050 0.072 0.000 0.911 137 N CB -0.343 38.169 38.487 0.041 0.000 0.964 137 N HN 0.523 8.985 8.380 0.135 0.000 0.447 138 A N -2.470 120.375 122.820 0.041 0.000 2.169 138 A HA -0.001 nan 4.320 nan 0.000 0.212 138 A C -0.470 177.118 177.584 0.008 0.000 1.153 138 A CA 0.896 52.917 52.037 -0.027 0.000 0.756 138 A CB 0.303 19.213 19.000 -0.150 0.000 0.813 138 A HN -0.219 7.948 8.150 0.088 0.036 0.471 139 c N -1.906 116.730 118.600 0.060 0.000 3.094 139 c HA 0.254 nan 4.570 nan 0.000 0.262 139 c C -1.394 172.719 174.090 0.038 0.000 1.459 139 c CA -2.091 54.239 56.329 0.002 0.000 1.570 139 c CB -1.530 40.943 42.510 -0.062 0.000 2.056 139 c HN -0.511 7.614 8.230 0.119 0.176 0.499 140 K N 3.039 123.463 120.400 0.041 0.000 2.419 140 K HA -0.195 nan 4.320 nan 0.000 0.282 140 K C -0.974 175.655 176.600 0.049 0.000 1.056 140 K CA 0.448 56.764 56.287 0.048 0.000 1.035 140 K CB 0.159 32.684 32.500 0.042 0.000 0.921 140 K HN 0.020 8.290 8.250 0.033 0.000 0.472 141 R N 7.986 128.518 120.500 0.053 0.000 2.239 141 R HA 0.079 nan 4.340 nan 0.000 0.332 141 R C -0.127 176.202 176.300 0.047 0.000 0.988 141 R CA -1.050 55.081 56.100 0.051 0.000 0.859 141 R CB 0.654 30.988 30.300 0.055 0.000 1.148 141 R HN -0.127 8.081 8.270 0.057 0.096 0.482 142 G N 8.084 116.911 108.800 0.046 0.000 2.561 142 G HA2 -0.359 nan 3.960 nan 0.000 0.289 142 G HA3 -0.359 nan 3.960 nan 0.000 0.289 142 G C -1.700 173.221 174.900 0.035 0.000 1.169 142 G CA 0.384 45.508 45.100 0.039 0.000 0.980 142 G HN 0.053 8.373 8.290 0.051 0.000 0.550 143 P HA -0.016 nan 4.420 nan 0.000 0.220 143 P C -0.455 176.862 177.300 0.029 0.000 1.152 143 P CA 0.609 63.725 63.100 0.027 0.000 0.812 143 P CB 0.596 32.310 31.700 0.023 0.000 0.792 144 G N -1.473 107.347 108.800 0.032 0.000 2.547 144 G HA2 0.081 nan 3.960 nan 0.000 0.291 144 G HA3 0.081 nan 3.960 nan 0.000 0.291 144 G C -0.768 174.159 174.900 0.045 0.000 1.211 144 G CA -1.581 43.539 45.100 0.034 0.000 0.950 144 G HN -0.607 7.660 8.290 0.034 0.043 0.504 145 S N -0.089 115.640 115.700 0.048 0.000 2.576 145 S HA 0.255 nan 4.470 nan 0.000 0.276 145 S C -0.486 174.168 174.600 0.089 0.000 1.339 145 S CA 1.374 59.617 58.200 0.071 0.000 1.039 145 S CB 0.715 63.953 63.200 0.063 0.000 0.902 145 S HN 0.113 8.445 8.310 0.037 0.000 0.516 146 G N 0.799 109.679 108.800 0.133 0.000 2.782 146 G HA2 0.249 nan 3.960 nan 0.000 0.304 146 G HA3 0.249 nan 3.960 nan 0.000 0.304 146 G C -2.859 172.212 174.900 0.284 0.000 1.315 146 G CA -0.083 45.112 45.100 0.159 0.000 0.791 146 G HN 0.206 8.586 8.290 0.150 0.000 0.519 147 F N -2.555 117.393 119.950 -0.003 0.000 2.923 147 F HA 0.412 nan 4.527 nan 0.000 0.323 147 F C -1.966 173.740 175.800 -0.158 0.000 1.189 147 F CA -2.442 55.512 58.000 -0.075 0.000 0.930 147 F CB 3.966 43.039 39.000 0.122 0.000 1.414 147 F HN -0.233 8.192 8.300 0.208 0.000 0.496 148 F N 0.902 120.653 119.950 -0.332 0.000 2.578 148 F HA -0.106 nan 4.527 nan 0.000 0.376 148 F C 1.467 177.260 175.800 -0.012 0.000 1.085 148 F CA 0.863 58.736 58.000 -0.211 0.000 1.260 148 F CB -0.198 38.573 39.000 -0.381 0.000 1.095 148 F HN 0.061 7.568 8.300 -1.322 0.000 0.573 149 S N 6.040 121.812 115.700 0.121 0.000 2.400 149 S HA -0.386 nan 4.470 nan 0.000 0.232 149 S C 1.320 175.927 174.600 0.013 0.000 1.025 149 S CA 2.784 61.027 58.200 0.073 0.000 0.993 149 S CB -0.012 63.203 63.200 0.024 0.000 0.808 149 S HN 0.699 8.951 8.310 0.099 0.117 0.478 150 R N -0.878 119.592 120.500 -0.050 0.000 2.334 150 R HA 0.184 nan 4.340 nan 0.000 0.220 150 R C -1.679 174.631 176.300 0.016 0.000 0.917 150 R CA -0.590 55.371 56.100 -0.232 0.000 1.073 150 R CB 0.177 30.214 30.300 -0.439 0.000 1.056 150 R HN -0.625 7.632 8.270 0.011 0.019 0.506 151 L N -2.839 118.485 121.223 0.169 0.000 2.301 151 L HA 0.517 nan 4.340 nan 0.000 0.264 151 L C -2.327 174.728 176.870 0.309 0.000 1.016 151 L CA -1.470 53.518 54.840 0.246 0.000 0.821 151 L CB 3.741 45.959 42.059 0.265 0.000 1.346 151 L HN -0.498 7.804 8.230 0.219 0.060 0.429 152 N N -0.557 118.270 118.700 0.213 0.000 2.577 152 N HA 0.260 nan 4.740 nan 0.000 0.275 152 N C -2.079 173.443 175.510 0.022 0.000 1.091 152 N CA -0.889 52.234 53.050 0.120 0.000 0.843 152 N CB 1.848 40.379 38.487 0.075 0.000 1.295 152 N HN 0.400 8.789 8.380 0.160 0.087 0.530 153 W N 6.959 128.089 121.300 -0.284 0.000 2.419 153 W HA 0.229 nan 4.660 nan 0.000 0.312 153 W C -1.978 174.380 176.519 -0.270 0.000 1.323 153 W CA -1.648 55.456 57.345 -0.403 0.000 1.293 153 W CB 0.058 29.004 29.460 -0.858 0.000 1.324 153 W HN 0.410 8.601 8.180 0.018 0.000 0.512 154 L N 8.292 129.606 121.223 0.153 0.000 2.322 154 L HA 0.575 nan 4.340 nan 0.000 0.279 154 L C -1.016 175.985 176.870 0.217 0.000 1.036 154 L CA -0.743 54.127 54.840 0.050 0.000 0.807 154 L CB 0.991 43.025 42.059 -0.042 0.000 1.226 154 L HN -0.416 7.964 8.230 0.251 0.000 0.433 155 T N -2.502 112.089 114.554 0.062 0.000 2.831 155 T HA 0.664 nan 4.350 nan 0.000 0.287 155 T C -0.766 174.012 174.700 0.131 0.000 1.070 155 T CA -2.081 60.046 62.100 0.044 0.000 1.010 155 T CB 2.882 71.578 68.868 -0.287 0.000 1.264 155 T HN 0.513 8.731 8.240 -0.038 0.000 0.532 156 K N -0.086 120.384 120.400 0.117 0.000 2.180 156 K HA 0.241 nan 4.320 nan 0.000 0.251 156 K C -0.462 176.146 176.600 0.014 0.000 1.014 156 K CA -0.136 56.228 56.287 0.128 0.000 0.913 156 K CB 0.505 33.074 32.500 0.113 0.000 1.008 156 K HN 0.029 8.282 8.250 0.005 0.000 0.490 157 S N 1.054 116.758 115.700 0.007 0.000 2.498 157 S HA 0.137 nan 4.470 nan 0.000 0.324 157 S C 0.317 174.915 174.600 -0.003 0.000 1.071 157 S CA -1.456 56.736 58.200 -0.012 0.000 1.113 157 S CB 0.461 63.651 63.200 -0.017 0.000 0.976 157 S HN -0.028 8.293 8.310 0.019 0.000 0.462 158 G N 8.386 117.180 108.800 -0.011 0.000 3.181 158 G HA2 -0.457 nan 3.960 nan 0.000 0.322 158 G HA3 -0.457 nan 3.960 nan 0.000 0.322 158 G C -0.275 174.626 174.900 0.001 0.000 1.246 158 G CA 1.883 46.979 45.100 -0.007 0.000 0.989 158 G HN 0.533 8.810 8.290 -0.021 0.000 0.607 159 S N 3.521 119.229 115.700 0.012 0.000 2.846 159 S HA 0.253 nan 4.470 nan 0.000 0.249 159 S C -1.054 173.571 174.600 0.042 0.000 1.028 159 S CA -0.965 57.248 58.200 0.021 0.000 1.043 159 S CB 1.545 64.755 63.200 0.016 0.000 0.990 159 S HN -0.151 8.166 8.310 0.012 0.000 0.564 160 T N 3.048 117.634 114.554 0.053 0.000 2.933 160 T HA 0.354 nan 4.350 nan 0.000 0.305 160 T C -3.059 171.717 174.700 0.128 0.000 1.092 160 T CA -0.108 62.041 62.100 0.082 0.000 1.008 160 T CB 2.922 71.820 68.868 0.049 0.000 1.102 160 T HN -0.505 7.759 8.240 0.040 0.000 0.469 161 Y N 4.709 125.037 120.300 0.047 0.000 2.376 161 Y HA 0.416 nan 4.550 nan 0.000 0.326 161 Y C -2.813 173.124 175.900 0.061 0.000 0.970 161 Y CA -3.652 54.489 58.100 0.067 0.000 1.248 161 Y CB 2.003 40.525 38.460 0.105 0.000 1.117 161 Y HN 0.402 8.832 8.280 0.249 0.000 0.476 162 P HA 0.026 nan 4.420 nan 0.000 0.277 162 P C -1.640 175.714 177.300 0.091 0.000 1.276 162 P CA -0.922 62.194 63.100 0.027 0.000 0.788 162 P CB 1.079 32.758 31.700 -0.034 0.000 1.114 163 V N -0.723 119.247 119.914 0.093 0.000 2.372 163 V HA -0.016 nan 4.120 nan 0.000 0.261 163 V C -0.089 176.055 176.094 0.083 0.000 1.055 163 V CA -0.253 62.119 62.300 0.120 0.000 0.930 163 V CB -0.667 31.207 31.823 0.085 0.000 1.031 163 V HN -0.026 8.202 8.190 0.064 0.000 0.479 164 L N 8.588 129.880 121.223 0.116 0.000 2.416 164 L HA 0.035 nan 4.340 nan 0.000 0.272 164 L C -0.467 176.471 176.870 0.114 0.000 1.161 164 L CA 0.424 55.345 54.840 0.134 0.000 0.845 164 L CB 0.736 42.939 42.059 0.240 0.000 1.119 164 L HN 0.568 8.910 8.230 0.188 0.000 0.464 165 N N 3.051 121.797 118.700 0.077 0.000 2.685 165 N HA 0.181 nan 4.740 nan 0.000 0.252 165 N C -1.344 174.166 175.510 0.000 0.000 1.261 165 N CA -0.114 52.956 53.050 0.033 0.000 0.768 165 N CB 1.063 39.557 38.487 0.011 0.000 1.304 165 N HN -0.117 8.302 8.380 0.064 0.000 0.536 166 V N -0.101 119.816 119.914 0.005 0.000 2.994 166 V HA 0.736 nan 4.120 nan 0.000 0.318 166 V C -2.400 173.678 176.094 -0.027 0.000 1.085 166 V CA -2.675 59.589 62.300 -0.060 0.000 0.998 166 V CB 3.990 35.711 31.823 -0.170 0.000 1.063 166 V HN 0.573 8.795 8.190 0.054 0.000 0.447 167 T N 2.299 116.817 114.554 -0.060 0.000 2.909 167 T HA 0.560 nan 4.350 nan 0.000 0.299 167 T C -1.813 172.822 174.700 -0.107 0.000 1.073 167 T CA 0.005 62.071 62.100 -0.058 0.000 0.999 167 T CB 1.372 70.200 68.868 -0.068 0.000 1.098 167 T HN -0.091 8.084 8.240 -0.108 0.000 0.477 168 M N 6.134 125.681 119.600 -0.089 0.000 2.122 168 M HA 0.603 nan 4.480 nan 0.000 0.269 168 M C -2.891 173.371 176.300 -0.063 0.000 0.954 168 M CA -2.918 52.301 55.300 -0.135 0.000 0.998 168 M CB 3.859 36.370 32.600 -0.148 0.000 1.755 168 M HN 0.542 8.796 8.290 -0.060 0.000 0.459 169 P HA 0.152 nan 4.420 nan 0.000 0.276 169 P C -1.677 175.587 177.300 -0.059 0.000 1.230 169 P CA -0.622 62.443 63.100 -0.059 0.000 0.776 169 P CB 0.337 31.995 31.700 -0.070 0.000 0.888 170 N N 3.029 121.691 118.700 -0.063 0.000 2.439 170 N HA 0.026 nan 4.740 nan 0.000 0.243 170 N C -0.197 175.219 175.510 -0.156 0.000 1.088 170 N CA -0.999 51.977 53.050 -0.125 0.000 0.940 170 N CB 0.533 38.952 38.487 -0.114 0.000 1.180 170 N HN 0.205 8.555 8.380 -0.049 0.000 0.505 171 N N 4.968 123.561 118.700 -0.179 0.000 2.282 171 N HA -0.001 nan 4.740 nan 0.000 0.185 171 N C -0.123 175.255 175.510 -0.220 0.000 1.099 171 N CA 0.605 53.559 53.050 -0.160 0.000 0.878 171 N CB 1.548 39.968 38.487 -0.112 0.000 0.993 171 N HN 0.137 8.405 8.380 -0.186 0.000 0.481 172 D N 0.309 120.482 120.400 -0.377 0.000 2.414 172 D HA 0.084 nan 4.640 nan 0.000 0.251 172 D C -1.009 174.979 176.300 -0.520 0.000 1.252 172 D CA -0.016 53.662 54.000 -0.537 0.000 0.999 172 D CB 0.722 40.844 40.800 -1.129 0.000 1.093 172 D HN -0.553 7.709 8.370 -0.428 -0.149 0.515 173 N N -1.550 116.880 118.700 -0.450 0.000 2.320 173 N HA 0.022 nan 4.740 nan 0.000 0.237 173 N C -1.524 173.920 175.510 -0.110 0.000 1.129 173 N CA -0.062 52.869 53.050 -0.198 0.000 0.854 173 N CB -0.361 38.100 38.487 -0.042 0.000 1.083 173 N HN 0.289 8.403 8.380 -0.444 0.000 0.504 174 F N -3.847 116.083 119.950 -0.034 0.000 2.650 174 F HA 0.214 nan 4.527 nan 0.000 0.320 174 F C -1.812 173.959 175.800 -0.049 0.000 1.091 174 F CA -2.192 55.791 58.000 -0.028 0.000 0.962 174 F CB 2.010 41.001 39.000 -0.014 0.000 1.363 174 F HN -0.845 6.795 8.300 -0.976 0.075 0.482 175 D N 0.093 120.647 120.400 0.257 0.000 2.341 175 D HA 0.094 nan 4.640 nan 0.000 0.245 175 D C -0.730 175.700 176.300 0.217 0.000 1.106 175 D CA 0.253 54.352 54.000 0.165 0.000 0.905 175 D CB 1.012 41.896 40.800 0.139 0.000 1.202 175 D HN 0.073 8.598 8.370 0.258 0.000 0.426 176 K N 0.078 120.526 120.400 0.080 0.000 2.376 176 K HA 0.654 nan 4.320 nan 0.000 0.257 176 K C -1.540 175.093 176.600 0.055 0.000 0.939 176 K CA -1.227 55.030 56.287 -0.050 0.000 0.809 176 K CB 2.827 35.078 32.500 -0.415 0.000 1.121 176 K HN 0.329 8.628 8.250 0.081 0.000 0.425 177 L N 5.802 127.103 121.223 0.130 0.000 2.265 177 L HA 0.507 nan 4.340 nan 0.000 0.288 177 L C -2.134 174.881 176.870 0.242 0.000 1.058 177 L CA -0.900 54.087 54.840 0.245 0.000 0.809 177 L CB 1.467 43.669 42.059 0.238 0.000 1.179 177 L HN 0.472 8.814 8.230 0.186 0.000 0.429 178 Y N 7.281 127.870 120.300 0.481 0.000 2.331 178 Y HA 0.280 nan 4.550 nan 0.000 0.338 178 Y C -1.064 175.151 175.900 0.525 0.000 0.992 178 Y CA -1.030 57.387 58.100 0.529 0.000 1.121 178 Y CB 2.382 41.136 38.460 0.490 0.000 1.184 178 Y HN 1.060 9.611 8.280 0.629 0.106 0.469 179 I N 4.809 125.748 120.570 0.615 0.000 2.312 179 I HA 0.382 nan 4.170 nan 0.000 0.290 179 I C -1.175 175.167 176.117 0.375 0.000 1.008 179 I CA -2.097 59.417 61.300 0.357 0.000 1.226 179 I CB -0.333 37.798 38.000 0.217 0.000 1.371 179 I HN 0.341 8.961 8.210 0.684 0.000 0.468 180 W N 2.405 123.826 121.300 0.202 0.000 3.207 180 W HA 0.782 nan 4.660 nan 0.000 0.326 180 W C -2.486 174.096 176.519 0.106 0.000 1.190 180 W CA -2.124 55.294 57.345 0.121 0.000 1.011 180 W CB 2.330 31.847 29.460 0.095 0.000 1.511 180 W HN 0.374 8.406 8.180 -0.246 0.000 0.606 181 G N -3.424 105.662 108.800 0.477 0.000 2.554 181 G HA2 0.685 nan 3.960 nan 0.000 0.306 181 G HA3 0.685 nan 3.960 nan 0.000 0.306 181 G C -3.289 171.802 174.900 0.318 0.000 1.320 181 G CA -0.022 45.241 45.100 0.272 0.000 0.800 181 G HN -0.062 8.576 8.290 0.579 0.000 0.481 182 I N -1.534 119.124 120.570 0.146 0.000 2.802 182 I HA 0.669 nan 4.170 nan 0.000 0.298 182 I C -2.697 173.314 176.117 -0.177 0.000 1.176 182 I CA -1.996 59.296 61.300 -0.014 0.000 1.025 182 I CB 4.000 42.004 38.000 0.007 0.000 1.243 182 I HN 0.044 8.315 8.210 0.102 0.000 0.424 183 H N 8.685 127.549 119.070 -0.343 0.000 2.476 183 H HA 0.410 nan 4.556 nan 0.000 0.328 183 H C -1.616 173.547 175.328 -0.274 0.000 1.073 183 H CA -1.845 54.029 56.048 -0.290 0.000 1.229 183 H CB 2.279 31.915 29.762 -0.209 0.000 1.432 183 H HN 0.341 8.510 8.280 -0.185 0.000 0.477 184 H N 7.558 126.458 119.070 -0.284 0.000 2.597 184 H HA 0.386 nan 4.556 nan 0.000 0.303 184 H C -2.127 172.988 175.328 -0.355 0.000 1.057 184 H CA -2.027 53.898 56.048 -0.204 0.000 1.261 184 H CB 0.788 30.501 29.762 -0.081 0.000 1.397 184 H HN 0.574 8.643 8.280 -0.351 0.000 0.461 185 P HA 0.108 nan 4.420 nan 0.000 0.274 185 P C -0.191 177.153 177.300 0.073 0.000 1.237 185 P CA 0.017 63.126 63.100 0.016 0.000 0.793 185 P CB 0.911 32.733 31.700 0.203 0.000 0.977 186 S N -1.112 114.653 115.700 0.108 0.000 2.425 186 S HA -0.072 nan 4.470 nan 0.000 0.225 186 S C -0.857 173.798 174.600 0.093 0.000 1.024 186 S CA 2.791 61.050 58.200 0.098 0.000 0.951 186 S CB 0.458 63.727 63.200 0.114 0.000 0.796 186 S HN 0.512 9.382 8.310 0.147 -0.471 0.498 187 T N -6.149 108.466 114.554 0.102 0.000 2.906 187 T HA 0.288 nan 4.350 nan 0.000 0.295 187 T C 0.229 174.981 174.700 0.088 0.000 1.075 187 T CA -2.113 60.039 62.100 0.086 0.000 1.005 187 T CB 3.357 72.274 68.868 0.082 0.000 1.136 187 T HN -0.585 7.728 8.240 0.121 0.000 0.498 188 N N 2.579 121.322 118.700 0.072 0.000 2.166 188 N HA -0.455 nan 4.740 nan 0.000 0.186 188 N C 1.553 177.104 175.510 0.068 0.000 1.019 188 N CA 4.203 57.294 53.050 0.069 0.000 0.856 188 N CB -0.172 38.347 38.487 0.054 0.000 0.993 188 N HN 0.537 8.955 8.380 0.063 0.000 0.426 189 Q N 0.313 120.149 119.800 0.060 0.000 2.030 189 Q HA -0.325 nan 4.340 nan 0.000 0.204 189 Q C 1.765 177.798 176.000 0.055 0.000 0.986 189 Q CA 3.619 59.452 55.803 0.051 0.000 0.843 189 Q CB -0.402 28.364 28.738 0.047 0.000 0.904 189 Q HN 0.288 8.591 8.270 0.058 0.002 0.420 190 E N -0.727 119.519 120.200 0.078 0.000 2.085 190 E HA -0.481 nan 4.350 nan 0.000 0.194 190 E C 2.080 178.738 176.600 0.096 0.000 0.994 190 E CA 3.001 59.458 56.400 0.095 0.000 0.801 190 E CB -0.163 29.627 29.700 0.151 0.000 0.743 190 E HN -0.195 8.150 8.360 0.085 0.066 0.453 191 Q N -1.235 118.649 119.800 0.140 0.000 2.061 191 Q HA -0.326 nan 4.340 nan 0.000 0.204 191 Q C 2.419 178.489 176.000 0.117 0.000 0.984 191 Q CA 3.081 59.005 55.803 0.202 0.000 0.846 191 Q CB -0.252 28.591 28.738 0.175 0.000 0.902 191 Q HN -0.170 8.103 8.270 0.129 0.074 0.421 192 T N -2.834 111.758 114.554 0.063 0.000 2.896 192 T HA -0.095 nan 4.350 nan 0.000 0.263 192 T C 2.916 177.606 174.700 -0.018 0.000 1.050 192 T CA 3.609 65.729 62.100 0.033 0.000 1.140 192 T CB -0.827 68.062 68.868 0.036 0.000 0.877 192 T HN -0.092 8.188 8.240 0.067 0.000 0.457 193 S N 4.411 120.090 115.700 -0.035 0.000 2.370 193 S HA -0.276 nan 4.470 nan 0.000 0.226 193 S C 1.453 175.956 174.600 -0.162 0.000 1.033 193 S CA 3.560 61.718 58.200 -0.070 0.000 1.011 193 S CB -0.504 62.663 63.200 -0.055 0.000 0.852 193 S HN 0.196 8.425 8.310 -0.009 0.076 0.457 194 L N -3.617 117.421 121.223 -0.308 0.000 2.221 194 L HA 0.006 nan 4.340 nan 0.000 0.202 194 L C 1.446 177.921 176.870 -0.658 0.000 1.074 194 L CA 2.604 57.066 54.840 -0.630 0.000 0.795 194 L CB 0.828 42.224 42.059 -1.105 0.000 0.960 194 L HN -0.289 7.791 8.230 -0.251 0.000 0.458 195 Y N -6.487 113.812 120.300 -0.002 0.000 2.500 195 Y HA 0.053 nan 4.550 nan 0.000 0.246 195 Y C 0.799 176.671 175.900 -0.047 0.000 1.146 195 Y CA 0.226 58.270 58.100 -0.094 0.000 1.230 195 Y CB -0.242 38.068 38.460 -0.249 0.000 1.214 195 Y HN 0.085 8.176 8.280 -0.316 0.000 0.526 196 V N -2.399 117.554 119.914 0.065 0.000 0.588 196 V HA -0.643 nan 4.120 nan 0.000 0.092 196 V C 0.524 176.659 176.094 0.068 0.000 1.830 196 V CA 3.052 65.392 62.300 0.068 0.000 3.401 196 V CB -1.190 30.692 31.823 0.097 0.000 0.689 196 V HN -0.151 7.949 8.190 0.006 0.094 0.712 197 Q N -0.218 119.624 119.800 0.070 0.000 2.333 197 Q HA -0.077 nan 4.340 nan 0.000 0.299 197 Q C -0.389 175.642 176.000 0.052 0.000 1.067 197 Q CA 0.359 56.192 55.803 0.050 0.000 0.943 197 Q CB 0.522 29.276 28.738 0.027 0.000 1.233 197 Q HN -0.168 8.106 8.270 0.080 0.044 0.401 198 A N 2.669 125.515 122.820 0.045 0.000 2.259 198 A HA -0.008 nan 4.320 nan 0.000 0.208 198 A C -0.765 176.846 177.584 0.044 0.000 1.201 198 A CA 1.026 53.093 52.037 0.050 0.000 0.824 198 A CB 0.137 19.162 19.000 0.042 0.000 0.838 198 A HN 0.283 8.456 8.150 0.039 0.000 0.485 199 S N -3.174 112.543 115.700 0.027 0.000 2.706 199 S HA 0.154 nan 4.470 nan 0.000 0.270 199 S C -0.821 173.765 174.600 -0.024 0.000 1.163 199 S CA -0.240 57.967 58.200 0.012 0.000 1.042 199 S CB 0.780 63.988 63.200 0.013 0.000 1.079 199 S HN -0.840 7.400 8.310 0.022 0.083 0.474 200 G N 2.901 111.665 108.800 -0.060 0.000 2.588 200 G HA2 0.277 nan 3.960 nan 0.000 0.278 200 G HA3 0.277 nan 3.960 nan 0.000 0.278 200 G C -1.983 172.860 174.900 -0.096 0.000 1.307 200 G CA -0.401 44.615 45.100 -0.139 0.000 1.016 200 G HN 0.134 8.400 8.290 -0.040 0.000 0.503 201 R N -1.962 118.469 120.500 -0.116 0.000 2.979 201 R HA 0.169 nan 4.340 nan 0.000 0.245 201 R C -2.335 173.905 176.300 -0.099 0.000 1.104 201 R CA 0.472 56.523 56.100 -0.081 0.000 1.056 201 R CB 2.854 33.122 30.300 -0.054 0.000 1.265 201 R HN -0.336 7.834 8.270 -0.166 0.000 0.470 202 V N 6.356 126.205 119.914 -0.109 0.000 2.531 202 V HA 0.713 nan 4.120 nan 0.000 0.301 202 V C -1.935 174.036 176.094 -0.205 0.000 1.034 202 V CA -1.087 61.115 62.300 -0.163 0.000 0.865 202 V CB 2.895 34.624 31.823 -0.158 0.000 0.995 202 V HN 0.679 8.814 8.190 -0.091 0.000 0.424 203 T N 9.525 123.942 114.554 -0.229 0.000 2.847 203 T HA 0.621 nan 4.350 nan 0.000 0.291 203 T C -1.944 172.566 174.700 -0.317 0.000 0.998 203 T CA -0.584 61.383 62.100 -0.221 0.000 0.967 203 T CB 1.204 69.994 68.868 -0.129 0.000 0.954 203 T HN 0.715 8.834 8.240 -0.202 0.000 0.441 204 V N 7.433 127.101 119.914 -0.409 0.000 2.555 204 V HA 0.831 nan 4.120 nan 0.000 0.302 204 V C -1.939 174.030 176.094 -0.207 0.000 1.038 204 V CA -1.795 60.239 62.300 -0.443 0.000 0.887 204 V CB 2.226 33.514 31.823 -0.892 0.000 0.991 204 V HN 0.782 8.765 8.190 -0.345 0.000 0.434 205 S N 5.126 120.739 115.700 -0.145 0.000 2.596 205 S HA 0.813 nan 4.470 nan 0.000 0.270 205 S C -1.364 173.205 174.600 -0.053 0.000 1.155 205 S CA -1.311 56.843 58.200 -0.077 0.000 0.827 205 S CB 3.173 66.330 63.200 -0.071 0.000 1.130 205 S HN 0.232 8.443 8.310 -0.165 0.000 0.467 206 T N -3.924 110.615 114.554 -0.025 0.000 2.645 206 T HA 0.610 nan 4.350 nan 0.000 0.273 206 T C 0.860 175.552 174.700 -0.013 0.000 0.960 206 T CA -1.526 60.567 62.100 -0.012 0.000 1.051 206 T CB 2.420 71.298 68.868 0.016 0.000 1.366 206 T HN 0.384 8.610 8.240 -0.022 0.000 0.536 207 R N -0.495 120.001 120.500 -0.007 0.000 2.115 207 R HA -0.118 nan 4.340 nan 0.000 0.226 207 R C 1.740 178.038 176.300 -0.004 0.000 1.100 207 R CA 2.592 58.687 56.100 -0.009 0.000 0.980 207 R CB 0.365 30.661 30.300 -0.008 0.000 0.875 207 R HN 0.283 9.046 8.270 -0.003 -0.495 0.445 208 R N -3.029 117.473 120.500 0.003 0.000 2.246 208 R HA -0.043 nan 4.340 nan 0.000 0.199 208 R C -0.197 176.105 176.300 0.003 0.000 0.984 208 R CA 1.051 57.155 56.100 0.007 0.000 1.015 208 R CB 0.538 30.849 30.300 0.018 0.000 0.930 208 R HN -0.074 8.318 8.270 0.008 -0.117 0.475 209 S N -3.274 112.424 115.700 -0.002 0.000 2.672 209 S HA 0.217 nan 4.470 nan 0.000 0.271 209 S C -2.292 172.297 174.600 -0.019 0.000 1.171 209 S CA -0.911 57.284 58.200 -0.009 0.000 0.817 209 S CB 1.889 65.085 63.200 -0.007 0.000 1.150 209 S HN -0.714 7.594 8.310 -0.004 0.000 0.478 210 Q N -3.526 116.258 119.800 -0.025 0.000 2.472 210 Q HA 0.614 nan 4.340 nan 0.000 0.281 210 Q C -1.741 174.237 176.000 -0.036 0.000 0.997 210 Q CA -0.452 55.328 55.803 -0.038 0.000 0.828 210 Q CB 3.295 32.007 28.738 -0.042 0.000 1.443 210 Q HN 0.025 8.281 8.270 -0.024 0.000 0.390 211 Q N -0.075 119.699 119.800 -0.043 0.000 2.323 211 Q HA 0.398 nan 4.340 nan 0.000 0.271 211 Q C -1.940 174.017 176.000 -0.072 0.000 1.048 211 Q CA -0.297 55.487 55.803 -0.032 0.000 0.792 211 Q CB 4.641 33.410 28.738 0.052 0.000 1.280 211 Q HN 0.592 8.821 8.270 -0.069 0.000 0.441 212 T N 5.857 120.369 114.554 -0.070 0.000 2.812 212 T HA 0.707 nan 4.350 nan 0.000 0.282 212 T C -1.040 173.615 174.700 -0.074 0.000 0.990 212 T CA -0.680 61.371 62.100 -0.081 0.000 0.960 212 T CB 0.745 69.576 68.868 -0.062 0.000 0.948 212 T HN 0.060 8.265 8.240 -0.057 0.000 0.438 213 I N 6.421 126.942 120.570 -0.081 0.000 2.530 213 I HA 0.354 nan 4.170 nan 0.000 0.297 213 I C -1.976 174.128 176.117 -0.022 0.000 1.011 213 I CA -1.698 59.565 61.300 -0.061 0.000 1.107 213 I CB 3.709 41.626 38.000 -0.138 0.000 1.285 213 I HN 0.978 9.135 8.210 -0.089 0.000 0.436 214 I N 0.145 120.725 120.570 0.016 0.000 2.474 214 I HA 0.647 nan 4.170 nan 0.000 0.294 214 I C -2.068 174.094 176.117 0.075 0.000 1.005 214 I CA -3.737 57.573 61.300 0.016 0.000 1.113 214 I CB 1.634 39.642 38.000 0.014 0.000 1.289 214 I HN -0.066 8.168 8.210 0.039 0.000 0.436 215 P HA 0.054 nan 4.420 nan 0.000 0.272 215 P C -2.175 175.286 177.300 0.268 0.000 1.254 215 P CA -0.371 62.822 63.100 0.156 0.000 0.795 215 P CB 0.762 32.460 31.700 -0.003 0.000 1.022 216 N N -1.583 117.382 118.700 0.443 0.000 2.533 216 N HA 0.265 nan 4.740 nan 0.000 0.289 216 N C -0.962 174.604 175.510 0.094 0.000 1.103 216 N CA -0.391 52.734 53.050 0.124 0.000 0.877 216 N CB 3.118 41.560 38.487 -0.074 0.000 1.419 216 N HN 0.150 9.130 8.380 1.000 0.000 0.517 217 I N 2.452 123.067 120.570 0.076 0.000 2.474 217 I HA 0.270 nan 4.170 nan 0.000 0.287 217 I C 0.226 176.369 176.117 0.043 0.000 1.048 217 I CA 0.588 61.930 61.300 0.070 0.000 1.383 217 I CB 0.503 38.547 38.000 0.074 0.000 1.412 217 I HN 0.376 8.625 8.210 0.066 0.000 0.531 218 G N 5.226 114.053 108.800 0.045 0.000 2.358 218 G HA2 -0.135 nan 3.960 nan 0.000 0.303 218 G HA3 -0.135 nan 3.960 nan 0.000 0.303 218 G C -2.700 172.224 174.900 0.041 0.000 1.537 218 G CA -0.371 44.750 45.100 0.035 0.000 0.928 218 G HN -0.127 8.197 8.290 0.057 0.000 0.656 219 S N 0.490 116.218 115.700 0.046 0.000 2.545 219 S HA 0.555 nan 4.470 nan 0.000 0.275 219 S C -0.568 174.061 174.600 0.047 0.000 1.299 219 S CA -0.476 57.761 58.200 0.062 0.000 1.048 219 S CB 0.906 64.151 63.200 0.074 0.000 0.938 219 S HN 0.008 8.342 8.310 0.040 0.000 0.496 220 R N 3.559 124.092 120.500 0.055 0.000 2.893 220 R HA 0.591 nan 4.340 nan 0.000 0.245 220 R C -2.257 174.087 176.300 0.074 0.000 1.192 220 R CA -2.824 53.301 56.100 0.041 0.000 1.077 220 R CB 0.091 30.403 30.300 0.020 0.000 1.253 220 R HN -0.235 8.075 8.270 0.067 0.000 0.505 221 P HA -0.048 nan 4.420 nan 0.000 0.271 221 P C -0.785 176.611 177.300 0.162 0.000 1.216 221 P CA -0.365 62.798 63.100 0.106 0.000 0.771 221 P CB 0.409 32.148 31.700 0.064 0.000 0.864 222 W N 4.066 125.356 121.300 -0.017 0.000 2.520 222 W HA -0.203 nan 4.660 nan 0.000 0.337 222 W C -1.745 174.756 176.519 -0.029 0.000 1.406 222 W CA 1.565 58.899 57.345 -0.019 0.000 1.318 222 W CB 0.328 29.780 29.460 -0.014 0.000 1.338 222 W HN 0.018 8.414 8.180 0.360 0.000 0.570 223 V N 9.563 129.415 119.914 -0.102 0.000 2.482 223 V HA 0.187 nan 4.120 nan 0.000 0.295 223 V C -0.253 175.676 176.094 -0.276 0.000 1.026 223 V CA -1.355 60.876 62.300 -0.114 0.000 0.856 223 V CB 2.514 34.284 31.823 -0.089 0.000 1.001 223 V HN 0.463 8.413 8.190 -0.225 0.105 0.424 224 R N 5.876 126.245 120.500 -0.219 0.000 3.251 224 R HA -0.303 nan 4.340 nan 0.000 0.249 224 R C -0.495 175.530 176.300 -0.458 0.000 0.949 224 R CA 0.731 56.686 56.100 -0.241 0.000 0.645 224 R CB -1.546 28.656 30.300 -0.164 0.000 1.065 224 R HN 0.893 9.104 8.270 -0.098 0.000 0.452 225 G N -6.454 101.817 108.800 -0.882 0.000 2.184 225 G HA2 -0.399 nan 3.960 nan 0.000 0.264 225 G HA3 -0.399 nan 3.960 nan 0.000 0.264 225 G C -1.275 172.632 174.900 -1.656 0.000 0.975 225 G CA 0.180 44.437 45.100 -1.406 0.000 0.642 225 G HN -0.064 7.683 8.290 -0.905 0.000 0.536 226 L N -1.394 119.194 121.223 -1.059 0.000 2.354 226 L HA 0.332 nan 4.340 nan 0.000 0.269 226 L C -0.086 176.592 176.870 -0.321 0.000 1.005 226 L CA -1.249 53.228 54.840 -0.605 0.000 0.819 226 L CB 2.250 44.026 42.059 -0.472 0.000 1.311 226 L HN -0.477 7.046 8.230 -0.860 0.191 0.423 227 S N 0.913 116.554 115.700 -0.099 0.000 2.540 227 S HA 0.011 nan 4.470 nan 0.000 0.218 227 S C -0.489 174.137 174.600 0.045 0.000 0.977 227 S CA 0.863 59.088 58.200 0.042 0.000 0.918 227 S CB 0.645 63.928 63.200 0.138 0.000 0.806 227 S HN 0.668 8.927 8.310 -0.085 0.000 0.496 228 S N 2.574 118.306 115.700 0.053 0.000 2.686 228 S HA 0.503 nan 4.470 nan 0.000 0.270 228 S C -0.577 174.113 174.600 0.150 0.000 1.194 228 S CA -0.134 58.131 58.200 0.109 0.000 0.990 228 S CB 1.335 64.660 63.200 0.209 0.000 1.029 228 S HN -0.304 8.023 8.310 0.029 0.000 0.560 229 R N -2.682 117.944 120.500 0.210 0.000 2.739 229 R HA 0.706 nan 4.340 nan 0.000 0.271 229 R C -2.098 174.387 176.300 0.309 0.000 1.010 229 R CA -1.941 54.328 56.100 0.281 0.000 0.897 229 R CB 4.555 34.976 30.300 0.201 0.000 1.236 229 R HN -0.227 8.111 8.270 0.113 0.000 0.466 230 I N -3.573 117.183 120.570 0.310 0.000 2.569 230 I HA 0.836 nan 4.170 nan 0.000 0.296 230 I C -1.544 174.661 176.117 0.147 0.000 1.028 230 I CA -2.248 59.139 61.300 0.145 0.000 1.082 230 I CB 2.984 41.015 38.000 0.051 0.000 1.264 230 I HN 0.296 8.726 8.210 0.367 0.000 0.429 231 S N 3.030 118.779 115.700 0.082 0.000 2.509 231 S HA 0.696 nan 4.470 nan 0.000 0.297 231 S C -1.092 173.395 174.600 -0.189 0.000 1.118 231 S CA -1.070 57.128 58.200 -0.003 0.000 1.074 231 S CB 1.721 64.968 63.200 0.077 0.000 1.038 231 S HN 0.147 8.470 8.310 0.021 0.000 0.498 232 I N 3.288 123.650 120.570 -0.347 0.000 2.428 232 I HA 0.441 nan 4.170 nan 0.000 0.296 232 I C -1.445 174.224 176.117 -0.746 0.000 0.985 232 I CA -1.488 59.561 61.300 -0.418 0.000 1.260 232 I CB -0.131 37.670 38.000 -0.331 0.000 1.389 232 I HN 0.244 8.294 8.210 -0.267 0.000 0.484 233 Y N 3.826 123.769 120.300 -0.594 0.000 2.669 233 Y HA 0.299 nan 4.550 nan 0.000 0.335 233 Y C -1.974 173.526 175.900 -0.667 0.000 1.116 233 Y CA -1.564 56.053 58.100 -0.806 0.000 1.081 233 Y CB 4.646 42.129 38.460 -1.629 0.000 1.297 233 Y HN 0.532 8.490 8.280 -0.537 0.000 0.484 234 W N -3.594 117.511 121.300 -0.325 0.000 3.107 234 W HA 0.681 nan 4.660 nan 0.000 0.331 234 W C -2.114 174.521 176.519 0.194 0.000 1.204 234 W CA -2.036 55.267 57.345 -0.069 0.000 1.184 234 W CB 3.115 32.548 29.460 -0.045 0.000 1.421 234 W HN -0.023 7.836 8.180 -0.535 0.000 0.544 235 T N 2.352 117.223 114.554 0.528 0.000 2.971 235 T HA 0.325 nan 4.350 nan 0.000 0.304 235 T C -1.882 173.128 174.700 0.516 0.000 1.038 235 T CA -0.300 62.043 62.100 0.406 0.000 1.007 235 T CB 2.807 71.958 68.868 0.472 0.000 1.055 235 T HN 0.579 9.219 8.240 0.666 0.000 0.451 236 I N 4.836 125.656 120.570 0.417 0.000 2.392 236 I HA 0.695 nan 4.170 nan 0.000 0.295 236 I C -0.721 175.571 176.117 0.291 0.000 0.985 236 I CA -0.494 61.035 61.300 0.383 0.000 1.221 236 I CB 1.806 40.019 38.000 0.355 0.000 1.366 236 I HN 0.170 8.557 8.210 0.295 0.000 0.467 237 V N 7.750 127.834 119.914 0.284 0.000 2.409 237 V HA 0.278 nan 4.120 nan 0.000 0.291 237 V C -1.092 175.069 176.094 0.111 0.000 1.020 237 V CA -1.712 60.709 62.300 0.202 0.000 0.848 237 V CB 1.235 33.224 31.823 0.277 0.000 0.990 237 V HN 0.976 9.232 8.190 0.291 0.108 0.430 238 K N 6.602 127.044 120.400 0.071 0.000 2.107 238 K HA 0.457 nan 4.320 nan 0.000 0.251 238 K C -2.198 174.390 176.600 -0.021 0.000 1.012 238 K CA -2.194 54.113 56.287 0.034 0.000 0.920 238 K CB 0.181 32.703 32.500 0.038 0.000 1.033 238 K HN 0.250 8.543 8.250 0.072 0.000 0.478 239 P HA -0.244 nan 4.420 nan 0.000 0.265 239 P C -0.543 176.715 177.300 -0.070 0.000 1.193 239 P CA 1.143 64.178 63.100 -0.107 0.000 0.765 239 P CB -0.250 31.384 31.700 -0.109 0.000 0.823 240 G N 3.772 112.523 108.800 -0.082 0.000 2.205 240 G HA2 -0.536 nan 3.960 nan 0.000 0.261 240 G HA3 -0.536 nan 3.960 nan 0.000 0.261 240 G C -1.006 173.869 174.900 -0.041 0.000 0.980 240 G CA 0.261 45.326 45.100 -0.057 0.000 0.632 240 G HN 0.444 8.667 8.290 -0.112 0.000 0.533 241 D N -0.531 119.850 120.400 -0.032 0.000 2.511 241 D HA 0.300 nan 4.640 nan 0.000 0.276 241 D C -1.664 174.625 176.300 -0.019 0.000 1.220 241 D CA -0.716 53.275 54.000 -0.016 0.000 1.077 241 D CB 3.023 43.826 40.800 0.006 0.000 1.126 241 D HN -0.481 7.800 8.370 -0.038 0.067 0.583 242 V N -1.659 118.247 119.914 -0.013 0.000 2.891 242 V HA 0.439 nan 4.120 nan 0.000 0.304 242 V C -2.035 174.042 176.094 -0.028 0.000 1.171 242 V CA -1.765 60.521 62.300 -0.024 0.000 0.943 242 V CB 3.306 35.107 31.823 -0.036 0.000 1.037 242 V HN -0.170 8.016 8.190 -0.007 0.000 0.427 243 L N 8.925 130.120 121.223 -0.047 0.000 2.312 243 L HA 0.548 nan 4.340 nan 0.000 0.281 243 L C -1.788 175.034 176.870 -0.079 0.000 1.070 243 L CA -0.645 54.139 54.840 -0.093 0.000 0.805 243 L CB 2.473 44.391 42.059 -0.235 0.000 1.174 243 L HN 0.424 8.520 8.230 -0.044 0.109 0.434 244 V N 7.808 127.670 119.914 -0.087 0.000 2.483 244 V HA 0.501 nan 4.120 nan 0.000 0.297 244 V C -1.378 174.654 176.094 -0.103 0.000 1.027 244 V CA -1.116 61.142 62.300 -0.070 0.000 0.855 244 V CB 1.919 33.706 31.823 -0.060 0.000 0.995 244 V HN 0.614 8.745 8.190 -0.097 0.000 0.424 245 I N 8.069 128.599 120.570 -0.067 0.000 2.354 245 I HA 0.479 nan 4.170 nan 0.000 0.292 245 I C -2.150 173.952 176.117 -0.026 0.000 0.989 245 I CA -0.857 60.380 61.300 -0.105 0.000 1.188 245 I CB 1.569 39.550 38.000 -0.032 0.000 1.342 245 I HN 0.565 8.769 8.210 -0.010 0.000 0.457 246 N N 8.266 126.921 118.700 -0.074 0.000 2.410 246 N HA 0.543 nan 4.740 nan 0.000 0.287 246 N C -2.543 172.953 175.510 -0.025 0.000 1.044 246 N CA -0.691 52.347 53.050 -0.019 0.000 0.881 246 N CB 3.434 41.899 38.487 -0.037 0.000 1.405 246 N HN 0.584 8.871 8.380 -0.156 0.000 0.490 247 S N 3.337 119.068 115.700 0.051 0.000 2.570 247 S HA 0.559 nan 4.470 nan 0.000 0.270 247 S C -2.716 171.993 174.600 0.182 0.000 1.149 247 S CA -1.035 57.199 58.200 0.056 0.000 0.837 247 S CB 2.882 66.102 63.200 0.033 0.000 1.124 247 S HN 0.537 8.800 8.310 0.099 0.106 0.465 248 N N 2.124 120.890 118.700 0.110 0.000 2.240 248 N HA 0.287 nan 4.740 nan 0.000 0.240 248 N C -1.155 174.230 175.510 -0.209 0.000 1.277 248 N CA -1.361 51.770 53.050 0.134 0.000 0.873 248 N CB 2.532 41.054 38.487 0.060 0.000 1.222 248 N HN -0.110 8.268 8.380 -0.003 0.000 0.507 249 G N -1.228 107.263 108.800 -0.515 0.000 2.329 249 G HA2 -0.095 nan 3.960 nan 0.000 0.308 249 G HA3 -0.095 nan 3.960 nan 0.000 0.308 249 G C -1.914 172.550 174.900 -0.725 0.000 1.587 249 G CA 0.046 44.563 45.100 -0.970 0.000 0.978 249 G HN -0.428 7.678 8.290 -0.213 0.056 0.685 250 N N -4.453 113.498 118.700 -1.248 0.000 2.909 250 N HA -0.461 nan 4.740 nan 0.000 0.242 250 N C -1.004 174.230 175.510 -0.461 0.000 0.975 250 N CA 1.735 54.113 53.050 -1.119 0.000 0.921 250 N CB -0.721 37.389 38.487 -0.628 0.000 1.112 250 N HN 0.452 7.793 8.380 -1.731 0.000 0.581 251 L N -0.681 120.375 121.223 -0.278 0.000 2.367 251 L HA 0.191 nan 4.340 nan 0.000 0.275 251 L C -1.692 175.126 176.870 -0.086 0.000 1.129 251 L CA 0.715 55.479 54.840 -0.126 0.000 0.839 251 L CB 0.851 42.844 42.059 -0.110 0.000 1.133 251 L HN -0.759 7.243 8.230 -0.289 0.055 0.453 252 I N 7.019 127.562 120.570 -0.045 0.000 2.307 252 I HA 0.241 nan 4.170 nan 0.000 0.287 252 I C -1.265 174.851 176.117 -0.000 0.000 1.054 252 I CA -2.395 58.893 61.300 -0.021 0.000 1.218 252 I CB -1.545 36.467 38.000 0.021 0.000 1.398 252 I HN -0.021 8.107 8.210 0.018 0.093 0.475 253 A N 9.072 131.799 122.820 -0.155 0.000 2.322 253 A HA 0.455 nan 4.320 nan 0.000 0.269 253 A C -2.634 174.940 177.584 -0.016 0.000 1.094 253 A CA -2.571 49.312 52.037 -0.256 0.000 0.807 253 A CB -0.045 18.466 19.000 -0.815 0.000 1.047 253 A HN 0.698 8.729 8.150 -0.199 0.000 0.487 254 P HA 0.246 nan 4.420 nan 0.000 0.276 254 P C -0.738 176.707 177.300 0.242 0.000 1.244 254 P CA -0.335 62.898 63.100 0.222 0.000 0.801 254 P CB 0.869 32.780 31.700 0.352 0.000 1.006 255 R N -1.664 119.113 120.500 0.461 0.000 2.362 255 R HA 0.190 nan 4.340 nan 0.000 0.227 255 R C -0.516 176.171 176.300 0.645 0.000 0.905 255 R CA 0.064 56.497 56.100 0.555 0.000 1.067 255 R CB 1.123 31.714 30.300 0.486 0.000 1.078 255 R HN -0.195 8.375 8.270 0.500 0.000 0.516 256 G N -2.396 106.785 108.800 0.635 0.000 2.398 256 G HA2 0.049 nan 3.960 nan 0.000 0.251 256 G HA3 0.049 nan 3.960 nan 0.000 0.251 256 G C -2.565 172.343 174.900 0.015 0.000 1.277 256 G CA -0.028 45.209 45.100 0.229 0.000 0.927 256 G HN -0.483 8.184 8.290 0.717 0.053 0.477 257 Y N -3.853 116.057 120.300 -0.650 0.000 2.499 257 Y HA 0.588 nan 4.550 nan 0.000 0.347 257 Y C -1.821 173.769 175.900 -0.517 0.000 0.987 257 Y CA -2.942 54.812 58.100 -0.577 0.000 1.044 257 Y CB 2.387 40.449 38.460 -0.664 0.000 1.245 257 Y HN -0.076 7.518 8.280 -1.143 0.000 0.461 258 F N 1.696 121.735 119.950 0.148 0.000 2.384 258 F HA 0.394 nan 4.527 nan 0.000 0.338 258 F C -0.657 175.255 175.800 0.186 0.000 1.103 258 F CA -0.253 57.851 58.000 0.173 0.000 1.157 258 F CB 1.751 40.858 39.000 0.177 0.000 1.167 258 F HN 0.514 9.070 8.300 0.427 0.000 0.529 259 K N 1.301 121.857 120.400 0.260 0.000 2.156 259 K HA 0.550 nan 4.320 nan 0.000 0.271 259 K C -0.912 175.732 176.600 0.073 0.000 0.995 259 K CA -1.215 55.169 56.287 0.163 0.000 0.890 259 K CB 1.194 33.649 32.500 -0.075 0.000 1.073 259 K HN 0.143 8.501 8.250 0.180 0.000 0.454 260 M N 4.382 124.017 119.600 0.057 0.000 2.318 260 M HA 0.168 nan 4.480 nan 0.000 0.347 260 M C -0.505 175.776 176.300 -0.031 0.000 1.175 260 M CA 0.211 55.522 55.300 0.017 0.000 1.075 260 M CB 1.396 34.023 32.600 0.046 0.000 1.614 260 M HN -0.308 8.037 8.290 0.093 0.000 0.456 261 R N -0.235 120.227 120.500 -0.062 0.000 3.018 261 R HA 0.402 nan 4.340 nan 0.000 0.243 261 R C -0.932 175.335 176.300 -0.054 0.000 1.315 261 R CA -1.597 54.465 56.100 -0.063 0.000 1.039 261 R CB 2.042 32.285 30.300 -0.096 0.000 1.315 261 R HN 0.108 8.331 8.270 -0.079 0.000 0.492 262 T N 1.732 116.260 114.554 -0.044 0.000 2.847 262 T HA 0.323 nan 4.350 nan 0.000 0.291 262 T C -1.139 173.540 174.700 -0.033 0.000 0.998 262 T CA -0.266 61.816 62.100 -0.030 0.000 0.967 262 T CB 0.547 69.409 68.868 -0.010 0.000 0.954 262 T HN 0.131 8.344 8.240 -0.045 0.000 0.441 263 G N 4.356 113.136 108.800 -0.033 0.000 2.677 263 G HA2 0.308 nan 3.960 nan 0.000 0.283 263 G HA3 0.308 nan 3.960 nan 0.000 0.283 263 G C -1.708 173.194 174.900 0.003 0.000 1.221 263 G CA 0.408 45.494 45.100 -0.023 0.000 0.851 263 G HN 0.077 8.348 8.290 -0.031 0.000 0.504 264 K N -0.403 120.016 120.400 0.031 0.000 2.498 264 K HA 0.217 nan 4.320 nan 0.000 0.207 264 K C -0.205 176.507 176.600 0.187 0.000 1.033 264 K CA -0.206 56.128 56.287 0.078 0.000 1.138 264 K CB -0.244 32.297 32.500 0.069 0.000 0.860 264 K HN 0.346 8.610 8.250 0.023 0.000 0.490 265 S N 1.018 116.782 115.700 0.107 0.000 2.584 265 S HA 0.168 nan 4.470 nan 0.000 0.273 265 S C -0.589 174.128 174.600 0.196 0.000 1.311 265 S CA 0.189 58.465 58.200 0.126 0.000 1.034 265 S CB 0.697 63.833 63.200 -0.106 0.000 0.939 265 S HN -0.313 7.941 8.310 0.030 0.075 0.513 266 S N 0.921 116.757 115.700 0.226 0.000 2.727 266 S HA 0.320 nan 4.470 nan 0.000 0.278 266 S C -2.422 172.243 174.600 0.108 0.000 1.186 266 S CA -1.259 57.042 58.200 0.167 0.000 0.836 266 S CB 1.981 65.303 63.200 0.204 0.000 1.186 266 S HN 0.243 8.674 8.310 0.202 0.000 0.499 267 I N -0.452 120.133 120.570 0.024 0.000 2.785 267 I HA 0.693 nan 4.170 nan 0.000 0.302 267 I C -2.197 173.900 176.117 -0.035 0.000 1.069 267 I CA -2.117 59.164 61.300 -0.032 0.000 1.045 267 I CB 3.536 41.476 38.000 -0.101 0.000 1.236 267 I HN 0.030 8.258 8.210 0.030 0.000 0.429 268 M N 5.193 124.771 119.600 -0.037 0.000 2.322 268 M HA 0.334 nan 4.480 nan 0.000 0.286 268 M C -2.290 173.995 176.300 -0.025 0.000 1.111 268 M CA -0.819 54.463 55.300 -0.031 0.000 0.941 268 M CB 4.163 36.736 32.600 -0.045 0.000 1.671 268 M HN 0.866 9.139 8.290 -0.028 0.000 0.470 269 R N 4.627 125.117 120.500 -0.017 0.000 2.229 269 R HA 0.619 nan 4.340 nan 0.000 0.328 269 R C -1.331 174.959 176.300 -0.016 0.000 1.009 269 R CA -0.310 55.782 56.100 -0.014 0.000 0.864 269 R CB 1.025 31.319 30.300 -0.009 0.000 1.085 269 R HN 0.382 8.643 8.270 -0.015 0.000 0.453 270 S N 3.214 118.902 115.700 -0.019 0.000 2.542 270 S HA 0.164 nan 4.470 nan 0.000 0.276 270 S C -1.469 173.122 174.600 -0.015 0.000 1.148 270 S CA -0.690 57.501 58.200 -0.015 0.000 0.886 270 S CB 2.038 65.227 63.200 -0.017 0.000 1.109 270 S HN 0.388 8.685 8.310 -0.022 0.000 0.458 271 D N 5.864 126.260 120.400 -0.007 0.000 2.402 271 D HA 0.137 nan 4.640 nan 0.000 0.216 271 D C -0.343 175.955 176.300 -0.003 0.000 1.128 271 D CA 0.134 54.132 54.000 -0.004 0.000 0.833 271 D CB 0.341 41.142 40.800 0.002 0.000 0.971 271 D HN 0.343 8.711 8.370 -0.004 0.000 0.503 272 A N 1.731 124.549 122.820 -0.004 0.000 2.462 272 A HA 0.180 nan 4.320 nan 0.000 0.243 272 A C -2.055 175.526 177.584 -0.004 0.000 1.076 272 A CA -1.269 50.768 52.037 -0.000 0.000 0.773 272 A CB -0.353 18.650 19.000 0.004 0.000 1.010 272 A HN -0.434 7.644 8.150 -0.006 0.068 0.493 273 P HA 0.004 nan 4.420 nan 0.000 0.268 273 P C -1.438 175.860 177.300 -0.002 0.000 1.205 273 P CA 0.449 63.548 63.100 -0.002 0.000 0.771 273 P CB 0.314 32.016 31.700 0.003 0.000 0.858 274 I N 2.355 122.921 120.570 -0.007 0.000 2.499 274 I HA 0.412 nan 4.170 nan 0.000 0.296 274 I C -0.952 175.166 176.117 0.001 0.000 0.992 274 I CA 0.034 61.331 61.300 -0.004 0.000 1.297 274 I CB 1.326 39.318 38.000 -0.014 0.000 1.410 274 I HN 0.198 8.402 8.210 -0.009 0.000 0.507 275 D N 4.985 125.389 120.400 0.006 0.000 2.579 275 D HA 0.236 nan 4.640 nan 0.000 0.257 275 D C -1.911 174.394 176.300 0.009 0.000 1.176 275 D CA -2.062 51.942 54.000 0.007 0.000 0.914 275 D CB 4.494 45.300 40.800 0.010 0.000 1.431 275 D HN 0.402 8.778 8.370 0.010 0.000 0.454 276 T N 1.675 116.233 114.554 0.007 0.000 2.781 276 T HA 0.406 nan 4.350 nan 0.000 0.305 276 T C -0.789 173.915 174.700 0.008 0.000 1.001 276 T CA -0.393 61.711 62.100 0.007 0.000 0.950 276 T CB -0.836 68.035 68.868 0.004 0.000 0.955 276 T HN 0.091 8.335 8.240 0.007 0.000 0.471 277 c N 3.880 122.486 118.600 0.009 0.000 3.292 277 c HA 0.395 nan 4.570 nan 0.000 0.338 277 c C -2.782 171.313 174.090 0.009 0.000 1.323 277 c CA -1.829 54.505 56.329 0.009 0.000 1.232 277 c CB 2.803 45.320 42.510 0.013 0.000 1.517 277 c HN 0.132 8.525 8.230 0.011 -0.156 0.470 278 I N -1.677 118.896 120.570 0.004 0.000 2.377 278 I HA 0.618 nan 4.170 nan 0.000 0.293 278 I C -1.848 174.273 176.117 0.006 0.000 0.987 278 I CA -1.820 59.478 61.300 -0.003 0.000 1.185 278 I CB 1.654 39.646 38.000 -0.014 0.000 1.341 278 I HN -0.078 8.136 8.210 0.005 0.000 0.455 279 S N 6.987 122.696 115.700 0.014 0.000 2.626 279 S HA 0.208 nan 4.470 nan 0.000 0.275 279 S C -0.993 173.646 174.600 0.066 0.000 1.175 279 S CA -0.296 57.927 58.200 0.038 0.000 0.982 279 S CB 1.234 64.467 63.200 0.054 0.000 1.093 279 S HN 0.451 8.659 8.310 0.008 0.106 0.472 280 E N 6.497 126.738 120.200 0.068 0.000 2.152 280 E HA -0.062 nan 4.350 nan 0.000 0.192 280 E C -0.453 176.293 176.600 0.243 0.000 0.983 280 E CA 2.387 58.874 56.400 0.146 0.000 0.818 280 E CB 0.515 30.273 29.700 0.097 0.000 0.758 280 E HN 0.401 8.787 8.360 0.044 0.000 0.467 281 c N -1.048 117.640 118.600 0.146 0.000 2.307 281 c HA 0.556 nan 4.570 nan 0.000 0.340 281 c C -1.283 172.889 174.090 0.138 0.000 1.275 281 c CA -1.540 54.864 56.329 0.124 0.000 1.811 281 c CB -0.222 42.335 42.510 0.078 0.000 2.372 281 c HN -0.317 7.979 8.230 0.110 0.000 0.531 282 I N 9.366 130.030 120.570 0.157 0.000 2.509 282 I HA 0.439 nan 4.170 nan 0.000 0.293 282 I C -1.795 174.386 176.117 0.107 0.000 1.020 282 I CA -0.991 60.391 61.300 0.137 0.000 1.088 282 I CB 4.018 42.114 38.000 0.160 0.000 1.267 282 I HN 0.774 9.084 8.210 0.166 0.000 0.430 283 T N 7.268 121.868 114.554 0.076 0.000 2.893 283 T HA 0.536 nan 4.350 nan 0.000 0.291 283 T C -1.564 173.158 174.700 0.037 0.000 1.028 283 T CA -2.687 59.446 62.100 0.056 0.000 0.995 283 T CB 1.820 70.725 68.868 0.060 0.000 1.051 283 T HN -0.178 8.104 8.240 0.070 0.000 0.470 284 P HA -0.042 nan 4.420 nan 0.000 0.225 284 P C 0.109 177.417 177.300 0.012 0.000 1.148 284 P CA 1.782 64.888 63.100 0.009 0.000 0.779 284 P CB 0.163 31.863 31.700 -0.001 0.000 0.780 285 N N -1.865 116.848 118.700 0.021 0.000 2.461 285 N HA -0.020 nan 4.740 nan 0.000 0.188 285 N C -0.163 175.363 175.510 0.027 0.000 1.134 285 N CA 0.355 53.419 53.050 0.024 0.000 0.878 285 N CB 0.310 38.816 38.487 0.031 0.000 0.972 285 N HN 0.190 8.563 8.380 0.024 0.021 0.456 286 G N -1.824 106.994 108.800 0.030 0.000 2.440 286 G HA2 -0.244 nan 3.960 nan 0.000 0.684 286 G HA3 -0.244 nan 3.960 nan 0.000 0.684 286 G C -1.590 173.337 174.900 0.046 0.000 1.309 286 G CA -0.736 44.383 45.100 0.033 0.000 0.931 286 G HN -0.124 8.009 8.290 0.030 0.174 0.612 287 S N 1.703 117.433 115.700 0.049 0.000 2.585 287 S HA 0.554 nan 4.470 nan 0.000 0.273 287 S C -0.451 174.182 174.600 0.054 0.000 1.339 287 S CA 1.689 59.926 58.200 0.061 0.000 1.028 287 S CB 0.770 64.008 63.200 0.063 0.000 0.906 287 S HN 0.306 8.540 8.310 0.043 0.102 0.528 288 I N -3.475 117.131 120.570 0.059 0.000 2.730 288 I HA 0.604 nan 4.170 nan 0.000 0.298 288 I C -2.652 173.493 176.117 0.047 0.000 1.089 288 I CA -4.003 57.328 61.300 0.052 0.000 1.041 288 I CB 2.586 40.621 38.000 0.059 0.000 1.235 288 I HN -0.443 7.808 8.210 0.068 0.000 0.423 289 P HA 0.134 nan 4.420 nan 0.000 0.281 289 P C -0.828 176.485 177.300 0.021 0.000 1.252 289 P CA -0.345 62.771 63.100 0.027 0.000 0.778 289 P CB 0.703 32.415 31.700 0.021 0.000 0.895 290 N N 2.081 120.790 118.700 0.015 0.000 2.378 290 N HA -0.085 nan 4.740 nan 0.000 0.243 290 N C -0.566 174.935 175.510 -0.016 0.000 1.137 290 N CA 0.015 53.066 53.050 0.002 0.000 0.862 290 N CB -1.298 37.192 38.487 0.005 0.000 1.116 290 N HN 0.352 8.742 8.380 0.017 0.000 0.499 291 D N -2.960 117.433 120.400 -0.011 0.000 2.149 291 D HA -0.177 nan 4.640 nan 0.000 0.201 291 D C 0.178 176.456 176.300 -0.035 0.000 0.972 291 D CA 1.167 55.156 54.000 -0.019 0.000 0.835 291 D CB -0.250 40.545 40.800 -0.008 0.000 0.966 291 D HN 0.066 8.328 8.370 -0.002 0.107 0.476 292 K N -0.274 120.106 120.400 -0.034 0.000 2.098 292 K HA 0.235 nan 4.320 nan 0.000 0.257 292 K C -1.193 175.330 176.600 -0.128 0.000 0.999 292 K CA -1.929 54.326 56.287 -0.054 0.000 0.924 292 K CB 0.589 33.082 32.500 -0.012 0.000 1.028 292 K HN -0.538 7.701 8.250 -0.018 0.000 0.466 293 P HA 0.120 nan 4.420 nan 0.000 0.227 293 P C -1.303 175.578 177.300 -0.698 0.000 1.161 293 P CA 1.083 63.847 63.100 -0.560 0.000 0.788 293 P CB 0.896 32.089 31.700 -0.845 0.000 0.822 294 F N -2.766 117.178 119.950 -0.009 0.000 2.603 294 F HA 0.626 nan 4.527 nan 0.000 0.317 294 F C -2.297 173.490 175.800 -0.022 0.000 1.066 294 F CA -1.844 56.143 58.000 -0.022 0.000 0.941 294 F CB 3.613 42.584 39.000 -0.047 0.000 1.291 294 F HN -0.395 7.843 8.300 -0.104 0.000 0.472 295 Q N -0.685 119.214 119.800 0.165 0.000 2.456 295 Q HA 0.602 nan 4.340 nan 0.000 0.283 295 Q C -1.855 174.150 176.000 0.007 0.000 1.084 295 Q CA -1.546 54.316 55.803 0.097 0.000 0.801 295 Q CB 3.103 31.916 28.738 0.125 0.000 1.434 295 Q HN 0.776 9.057 8.270 0.178 0.095 0.419 296 N N 0.537 119.251 118.700 0.024 0.000 2.194 296 N HA 0.159 nan 4.740 nan 0.000 0.231 296 N C 0.268 175.892 175.510 0.190 0.000 1.247 296 N CA -0.320 52.715 53.050 -0.025 0.000 0.884 296 N CB 1.407 39.858 38.487 -0.061 0.000 1.146 296 N HN 0.279 8.694 8.380 0.060 0.000 0.516 297 V N 0.412 120.450 119.914 0.207 0.000 2.283 297 V HA -0.083 nan 4.120 nan 0.000 0.243 297 V C -0.119 176.088 176.094 0.190 0.000 1.039 297 V CA 3.017 65.417 62.300 0.166 0.000 1.016 297 V CB 0.501 32.394 31.823 0.116 0.000 0.650 297 V HN 0.207 8.768 8.190 0.204 -0.248 0.449 298 N N -2.968 115.851 118.700 0.198 0.000 2.555 298 N HA 0.006 nan 4.740 nan 0.000 0.265 298 N C -1.759 173.610 175.510 -0.234 0.000 1.135 298 N CA -0.429 52.612 53.050 -0.016 0.000 0.925 298 N CB 2.410 40.892 38.487 -0.009 0.000 1.662 298 N HN -0.487 8.334 8.380 0.268 -0.280 0.489 299 K N 0.674 120.681 120.400 -0.655 0.000 2.432 299 K HA -0.082 nan 4.320 nan 0.000 0.196 299 K C -0.116 176.343 176.600 -0.234 0.000 1.038 299 K CA 1.189 57.072 56.287 -0.672 0.000 0.986 299 K CB 0.094 32.168 32.500 -0.710 0.000 0.782 299 K HN 0.295 8.205 8.250 -0.567 0.000 0.485 300 I N 2.950 123.431 120.570 -0.148 0.000 2.312 300 I HA -0.074 nan 4.170 nan 0.000 0.291 300 I C -1.378 174.737 176.117 -0.004 0.000 1.031 300 I CA 0.047 61.313 61.300 -0.056 0.000 1.293 300 I CB 0.159 38.132 38.000 -0.045 0.000 1.403 300 I HN -0.388 8.004 8.210 -0.163 -0.280 0.484 301 T N 3.651 118.222 114.554 0.028 0.000 2.864 301 T HA 0.421 nan 4.350 nan 0.000 0.299 301 T C -2.402 172.360 174.700 0.103 0.000 1.166 301 T CA -2.135 60.003 62.100 0.063 0.000 1.007 301 T CB 2.908 71.809 68.868 0.055 0.000 1.219 301 T HN -0.103 8.150 8.240 0.023 0.000 0.506 302 Y N 1.770 122.057 120.300 -0.022 0.000 2.396 302 Y HA 0.299 nan 4.550 nan 0.000 0.332 302 Y C -1.604 174.245 175.900 -0.084 0.000 1.034 302 Y CA -0.197 57.866 58.100 -0.062 0.000 1.057 302 Y CB 2.784 41.193 38.460 -0.086 0.000 1.220 302 Y HN 0.629 9.003 8.280 0.156 0.000 0.440 303 G N 5.889 114.315 108.800 -0.624 0.000 2.466 303 G HA2 -0.272 nan 3.960 nan 0.000 0.316 303 G HA3 -0.272 nan 3.960 nan 0.000 0.316 303 G C -2.164 172.660 174.900 -0.126 0.000 1.270 303 G CA -0.574 44.306 45.100 -0.366 0.000 0.982 303 G HN 0.052 7.904 8.290 -0.730 0.000 0.506 304 A N 0.846 123.661 122.820 -0.009 0.000 2.666 304 A HA 0.134 nan 4.320 nan 0.000 0.301 304 A C -0.298 177.291 177.584 0.008 0.000 1.470 304 A CA -0.153 51.881 52.037 -0.005 0.000 1.159 304 A CB -0.591 18.417 19.000 0.012 0.000 1.116 304 A HN 0.128 8.319 8.150 0.068 0.000 0.548 305 c N 3.576 122.177 118.600 0.001 0.000 2.562 305 c HA 0.386 nan 4.570 nan 0.000 0.332 305 c C -2.072 172.029 174.090 0.018 0.000 1.201 305 c CA -2.337 54.005 56.329 0.023 0.000 1.803 305 c CB 1.090 43.624 42.510 0.040 0.000 2.328 305 c HN -0.192 8.030 8.230 -0.015 0.000 0.500 306 P HA 0.039 nan 4.420 nan 0.000 0.272 306 P C -1.826 175.521 177.300 0.078 0.000 1.230 306 P CA -0.565 62.541 63.100 0.011 0.000 0.788 306 P CB 0.628 32.336 31.700 0.013 0.000 0.949 307 K N 0.934 121.397 120.400 0.104 0.000 2.339 307 K HA 0.016 nan 4.320 nan 0.000 0.286 307 K C -0.051 176.703 176.600 0.257 0.000 1.050 307 K CA -0.100 56.308 56.287 0.201 0.000 0.956 307 K CB 0.814 33.474 32.500 0.267 0.000 0.990 307 K HN -0.095 8.171 8.250 0.027 0.000 0.475 308 Y N 4.051 124.421 120.300 0.116 0.000 2.511 308 Y HA 0.022 nan 4.550 nan 0.000 0.332 308 Y C -1.154 174.790 175.900 0.073 0.000 1.177 308 Y CA 1.623 59.776 58.100 0.089 0.000 1.422 308 Y CB 0.597 39.089 38.460 0.054 0.000 1.271 308 Y HN -0.036 8.428 8.280 0.307 0.000 0.550 309 V N 6.787 126.246 119.914 -0.758 0.000 3.078 309 V HA 0.234 nan 4.120 nan 0.000 0.311 309 V C -1.135 174.523 176.094 -0.727 0.000 1.138 309 V CA -1.075 60.911 62.300 -0.524 0.000 1.007 309 V CB 3.685 35.301 31.823 -0.344 0.000 1.045 309 V HN 0.132 7.637 8.190 -1.141 0.000 0.432 310 K N 1.126 121.307 120.400 -0.365 0.000 2.103 310 K HA -0.123 nan 4.320 nan 0.000 0.204 310 K C -0.669 175.816 176.600 -0.192 0.000 1.052 310 K CA 1.765 57.919 56.287 -0.220 0.000 0.945 310 K CB 0.159 32.607 32.500 -0.087 0.000 0.722 310 K HN 0.540 8.633 8.250 -0.262 0.000 0.443 311 Q N -0.807 118.878 119.800 -0.191 0.000 2.361 311 Q HA -0.099 nan 4.340 nan 0.000 0.276 311 Q C -0.785 175.145 176.000 -0.116 0.000 1.022 311 Q CA 0.772 56.492 55.803 -0.137 0.000 0.898 311 Q CB 0.418 29.072 28.738 -0.141 0.000 1.246 311 Q HN -0.393 7.741 8.270 -0.227 0.000 0.410 312 N N -1.587 117.072 118.700 -0.068 0.000 2.392 312 N HA -0.096 nan 4.740 nan 0.000 0.177 312 N C -1.010 174.485 175.510 -0.025 0.000 1.066 312 N CA 0.729 53.754 53.050 -0.042 0.000 0.895 312 N CB 0.642 39.117 38.487 -0.019 0.000 0.988 312 N HN 0.095 8.441 8.380 -0.056 0.000 0.457 313 T N -0.853 113.684 114.554 -0.028 0.000 2.916 313 T HA 0.369 nan 4.350 nan 0.000 0.298 313 T C -2.425 172.265 174.700 -0.018 0.000 1.031 313 T CA -0.559 61.534 62.100 -0.012 0.000 0.993 313 T CB 1.215 70.079 68.868 -0.006 0.000 1.045 313 T HN -0.895 7.323 8.240 -0.038 0.000 0.454 314 L N 6.011 127.235 121.223 0.003 0.000 2.504 314 L HA 0.457 nan 4.340 nan 0.000 0.265 314 L C -1.840 175.049 176.870 0.032 0.000 0.975 314 L CA -0.261 54.581 54.840 0.004 0.000 0.864 314 L CB 3.563 45.616 42.059 -0.011 0.000 1.212 314 L HN 0.715 9.310 8.230 0.022 -0.351 0.416 315 K N 3.739 124.151 120.400 0.020 0.000 2.234 315 K HA 0.492 nan 4.320 nan 0.000 0.277 315 K C -1.226 175.390 176.600 0.027 0.000 1.038 315 K CA -0.938 55.364 56.287 0.024 0.000 0.888 315 K CB 1.074 33.583 32.500 0.015 0.000 1.091 315 K HN 0.017 8.272 8.250 0.009 0.000 0.467 316 L N 5.980 127.224 121.223 0.034 0.000 2.260 316 L HA 0.127 nan 4.340 nan 0.000 0.289 316 L C -1.507 175.377 176.870 0.023 0.000 1.057 316 L CA -1.281 53.578 54.840 0.032 0.000 0.811 316 L CB 2.036 44.119 42.059 0.040 0.000 1.184 316 L HN 0.737 8.990 8.230 0.037 0.000 0.429 317 A N 6.505 129.336 122.820 0.019 0.000 2.546 317 A HA -0.096 nan 4.320 nan 0.000 0.243 317 A C -0.136 177.460 177.584 0.019 0.000 1.063 317 A CA 0.982 53.029 52.037 0.018 0.000 0.757 317 A CB 0.210 19.219 19.000 0.014 0.000 0.991 317 A HN 0.372 8.533 8.150 0.018 0.000 0.503 318 T N -1.799 112.768 114.554 0.023 0.000 3.296 318 T HA 0.304 nan 4.350 nan 0.000 0.285 318 T C -0.202 174.519 174.700 0.035 0.000 1.014 318 T CA -0.704 61.411 62.100 0.024 0.000 0.920 318 T CB 0.065 68.948 68.868 0.023 0.000 1.143 318 T HN 0.368 8.509 8.240 0.024 0.112 0.522 319 G N 1.558 110.382 108.800 0.039 0.000 2.608 319 G HA2 0.287 nan 3.960 nan 0.000 0.291 319 G HA3 0.287 nan 3.960 nan 0.000 0.291 319 G C -1.813 173.120 174.900 0.054 0.000 1.425 319 G CA 0.111 45.251 45.100 0.066 0.000 0.787 319 G HN -0.769 7.485 8.290 0.030 0.054 0.484 320 M N -2.656 116.992 119.600 0.080 0.000 2.036 320 M HA 0.109 nan 4.480 nan 0.000 0.276 320 M C -0.609 175.704 176.300 0.021 0.000 1.262 320 M CA 1.029 56.350 55.300 0.034 0.000 1.097 320 M CB 1.044 33.659 32.600 0.024 0.000 1.386 320 M HN 0.267 8.645 8.290 0.147 0.000 0.482 321 R N -1.744 118.747 120.500 -0.015 0.000 2.643 321 R HA -0.194 nan 4.340 nan 0.000 0.270 321 R C -0.659 175.653 176.300 0.019 0.000 1.061 321 R CA 0.879 56.976 56.100 -0.006 0.000 1.107 321 R CB 0.560 30.847 30.300 -0.021 0.000 0.999 321 R HN 0.138 8.380 8.270 -0.048 0.000 0.460 322 N N 3.563 122.274 118.700 0.019 0.000 2.462 322 N HA -0.005 nan 4.740 nan 0.000 0.242 322 N C -0.927 174.607 175.510 0.041 0.000 1.010 322 N CA 0.019 53.080 53.050 0.020 0.000 0.939 322 N CB 0.660 39.141 38.487 -0.010 0.000 1.127 322 N HN -0.096 8.290 8.380 0.010 0.000 0.509 323 V N 6.410 126.377 119.914 0.089 0.000 2.225 323 V HA 0.321 nan 4.120 nan 0.000 0.264 323 V C -1.014 175.107 176.094 0.044 0.000 1.067 323 V CA -2.922 59.427 62.300 0.082 0.000 0.903 323 V CB -0.948 30.966 31.823 0.152 0.000 1.136 323 V HN 0.110 8.384 8.190 0.141 0.000 0.456 324 P HA 0.136 nan 4.420 nan 0.000 0.271 324 P C -0.289 177.005 177.300 -0.011 0.000 1.233 324 P CA -0.089 63.005 63.100 -0.010 0.000 0.789 324 P CB 2.164 33.856 31.700 -0.014 0.000 0.951 325 E N -0.529 119.659 120.200 -0.020 0.000 2.307 325 E HA -0.042 nan 4.350 nan 0.000 0.195 325 E C 0.233 176.826 176.600 -0.012 0.000 0.975 325 E CA 0.544 56.934 56.400 -0.017 0.000 0.878 325 E CB 0.340 30.026 29.700 -0.024 0.000 0.845 325 E HN 0.342 8.688 8.360 -0.023 0.000 0.488 326 K N 0.486 120.879 120.400 -0.011 0.000 2.633 326 K HA -0.131 nan 4.320 nan 0.000 0.283 326 K C 0.386 176.982 176.600 -0.006 0.000 1.081 326 K CA 0.420 56.702 56.287 -0.009 0.000 0.923 326 K CB -0.045 32.450 32.500 -0.009 0.000 1.110 326 K HN -0.139 8.103 8.250 -0.013 0.000 0.480 327 Q N 0.079 119.876 119.800 -0.005 0.000 2.500 327 Q HA 0.094 nan 4.340 nan 0.000 0.173 327 Q C -0.544 175.454 176.000 -0.003 0.000 1.079 327 Q CA 0.598 56.399 55.803 -0.003 0.000 0.960 327 Q CB -0.292 28.445 28.738 -0.003 0.000 2.832 327 Q HN 0.126 8.393 8.270 -0.005 0.000 0.476 328 T N 0.000 114.552 114.554 -0.003 0.000 3.816 328 T HA 0.000 nan 4.350 nan 0.000 0.228 328 T CA 0.000 62.098 62.100 -0.003 0.000 1.349 328 T CB 0.000 68.867 68.868 -0.002 0.000 0.612 328 T HN 0.000 8.239 8.240 -0.002 0.000 0.658