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 1gpf_1_B DATA FIRST_RESID 3 DATA SEQUENCE TRKAVIGYYF IPTNQINNYT ETDTSVVPFP VSNITPAKAK QLTHINFSFL DATA SEQUENCE DINSNLECAW DPATNDAKAR DVVNRLTALK AHNPSLRIMF SIGGWYYSND DATA SEQUENCE LGVSHANYVN AVKTPASRAK FAQSCVRIMK DYGFDGVDID WEYPQAAEVD DATA SEQUENCE GFIAALQEIR TLLNQQTITD GRQALPYQLT IAGAGGAFFL SRYYSKLAQI DATA SEQUENCE VAPLDYINLM TYDLAGPWEK VTNHQAALFG DAAGPTFYNA LREANLGWSW DATA SEQUENCE EELTRAFPSP FSLTVDAAVQ QHLMMEGVPS AKIVMGVPFY GRAFKGVSGG DATA SEQUENCE NGGQYSSHST PGEDPYPSTD YWLVGCEECV RDKDPRIASY RQLEQMLQGN DATA SEQUENCE YGYQRLWNDK TKTPYLYHAQ NGLFVTYDDA ESFKYKAKYI KQQQLGGVMF DATA SEQUENCE WHLGQDNRNG DLLAALDRYF NAADYDDSQL DMGTGLRYTG VGPGNLPIMT DATA SEQUENCE APAYVPGTTY AQGALVSYQG YVWQTKWGYI TSAPGSDSAW LKVGRVA 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.712 174.700 0.020 0.000 1.109 3 T CA 0.000 62.118 62.100 0.029 0.000 1.349 3 T CB 0.000 68.888 68.868 0.033 0.000 0.612 4 R N 3.114 123.628 120.500 0.025 0.000 2.583 4 R HA 0.174 4.514 4.340 0.000 0.000 0.274 4 R C 0.034 176.306 176.300 -0.046 0.000 0.998 4 R CA -0.159 55.946 56.100 0.009 0.000 1.081 4 R CB 0.402 30.721 30.300 0.032 0.000 0.940 4 R HN 0.378 nan 8.270 nan 0.000 0.413 5 K N 2.554 122.854 120.400 -0.166 0.000 2.270 5 K HA 0.146 4.466 4.320 0.000 0.000 0.276 5 K C -0.197 176.255 176.600 -0.246 0.000 1.023 5 K CA -0.057 56.018 56.287 -0.354 0.000 0.955 5 K CB 1.371 33.268 32.500 -1.004 0.000 0.975 5 K HN 0.708 nan 8.250 nan 0.000 0.471 6 A N 1.951 124.632 122.820 -0.231 0.000 2.445 6 A HA 0.319 4.640 4.320 0.000 0.000 0.242 6 A C -0.297 177.219 177.584 -0.112 0.000 1.075 6 A CA -0.366 51.560 52.037 -0.185 0.000 0.777 6 A CB 0.383 19.055 19.000 -0.548 0.000 1.013 6 A HN 0.358 nan 8.150 nan 0.000 0.493 7 V N 3.992 123.927 119.914 0.035 0.000 2.439 7 V HA 0.253 4.373 4.120 0.000 0.000 0.277 7 V C -0.609 175.538 176.094 0.089 0.000 1.008 7 V CA 0.045 62.433 62.300 0.146 0.000 0.846 7 V CB 0.761 32.739 31.823 0.258 0.000 1.031 7 V HN 0.700 nan 8.190 nan 0.000 0.441 8 I N 4.060 124.587 120.570 -0.072 0.000 2.328 8 I HA 0.612 4.782 4.170 0.000 0.000 0.287 8 I C 0.830 176.562 176.117 -0.641 0.000 1.012 8 I CA -0.190 60.961 61.300 -0.248 0.000 1.195 8 I CB 1.598 39.411 38.000 -0.311 0.000 1.350 8 I HN 0.640 nan 8.210 nan 0.000 0.464 9 G N 5.410 113.742 108.800 -0.780 0.000 2.416 9 G HA2 0.491 4.451 3.960 0.000 0.000 0.324 9 G HA3 0.491 4.451 3.960 0.000 0.000 0.324 9 G C -1.204 173.341 174.900 -0.591 0.000 1.194 9 G CA -0.338 43.911 45.100 -1.419 0.000 0.922 9 G HN 0.343 nan 8.290 nan 0.000 0.467 10 Y N 0.942 120.962 120.300 -0.468 0.000 2.359 10 Y HA 0.274 4.825 4.550 0.000 0.000 0.330 10 Y C -0.193 175.602 175.900 -0.175 0.000 1.143 10 Y CA 0.227 58.203 58.100 -0.207 0.000 1.318 10 Y CB 1.212 39.613 38.460 -0.098 0.000 1.234 10 Y HN 0.535 nan 8.280 nan 0.000 0.522 11 Y N 5.976 126.235 120.300 -0.068 0.000 2.345 11 Y HA 0.379 4.930 4.550 0.000 0.000 0.331 11 Y C -1.685 174.085 175.900 -0.218 0.000 0.959 11 Y CA -1.581 56.499 58.100 -0.033 0.000 1.204 11 Y CB 0.312 38.844 38.460 0.120 0.000 1.135 11 Y HN 0.511 nan 8.280 nan 0.000 0.477 12 F N 8.497 127.903 119.950 -0.906 0.000 2.436 12 F HA 0.655 5.182 4.527 0.000 0.000 0.340 12 F C -1.504 173.872 175.800 -0.706 0.000 1.113 12 F CA -1.507 55.987 58.000 -0.843 0.000 1.022 12 F CB 0.849 39.228 39.000 -1.034 0.000 1.128 12 F HN 0.470 nan 8.300 nan 0.000 0.466 13 I N 8.681 128.388 120.570 -1.439 0.000 2.534 13 I HA 0.425 4.595 4.170 0.000 0.000 0.286 13 I C -2.714 172.873 176.117 -0.884 0.000 1.094 13 I CA -2.462 58.269 61.300 -0.949 0.000 1.055 13 I CB 2.058 39.959 38.000 -0.165 0.000 1.225 13 I HN 0.414 nan 8.210 nan 0.000 0.435 14 P HA 0.145 nan 4.420 nan 0.000 0.268 14 P C 0.574 177.862 177.300 -0.019 0.000 1.208 14 P CA -0.058 62.893 63.100 -0.247 0.000 0.777 14 P CB 0.626 32.279 31.700 -0.078 0.000 0.875 15 T N 1.063 115.681 114.554 0.106 0.000 2.699 15 T HA -0.213 4.137 4.350 0.000 0.000 0.268 15 T C 1.454 176.222 174.700 0.114 0.000 1.036 15 T CA 2.208 64.404 62.100 0.161 0.000 1.147 15 T CB -1.067 67.923 68.868 0.204 0.000 0.862 15 T HN 0.697 nan 8.240 nan 0.000 0.446 16 N N 0.821 119.573 118.700 0.086 0.000 2.309 16 N HA -0.121 4.619 4.740 0.000 0.000 0.182 16 N C 1.848 177.402 175.510 0.074 0.000 1.018 16 N CA 0.888 53.981 53.050 0.072 0.000 0.876 16 N CB -0.239 38.283 38.487 0.058 0.000 0.972 16 N HN 0.410 nan 8.380 nan 0.000 0.434 17 Q N -0.099 119.744 119.800 0.072 0.000 2.212 17 Q HA 0.136 4.476 4.340 0.000 0.000 0.199 17 Q C 1.918 178.033 176.000 0.192 0.000 0.950 17 Q CA 0.674 56.539 55.803 0.102 0.000 0.863 17 Q CB 0.110 28.887 28.738 0.066 0.000 0.944 17 Q HN 0.514 nan 8.270 nan 0.000 0.465 18 I N 1.141 121.814 120.570 0.173 0.000 2.202 18 I HA -0.269 3.901 4.170 0.000 0.000 0.242 18 I C 1.569 177.772 176.117 0.142 0.000 1.091 18 I CA 0.800 62.208 61.300 0.180 0.000 1.368 18 I CB -0.207 37.885 38.000 0.154 0.000 1.058 18 I HN 0.190 nan 8.210 nan 0.000 0.410 19 N N 0.930 119.692 118.700 0.104 0.000 2.289 19 N HA -0.121 4.619 4.740 0.000 0.000 0.184 19 N C 0.886 176.446 175.510 0.083 0.000 1.016 19 N CA 1.025 54.119 53.050 0.073 0.000 0.872 19 N CB -0.310 38.213 38.487 0.060 0.000 0.973 19 N HN 0.383 nan 8.380 nan 0.000 0.433 20 N N -0.197 118.563 118.700 0.101 0.000 2.275 20 N HA -0.029 4.711 4.740 0.000 0.000 0.236 20 N C -0.575 174.990 175.510 0.093 0.000 1.154 20 N CA -0.282 52.814 53.050 0.077 0.000 0.866 20 N CB 0.209 38.725 38.487 0.048 0.000 1.093 20 N HN 0.198 nan 8.380 nan 0.000 0.515 21 Y N 2.228 122.542 120.300 0.024 0.000 2.895 21 Y HA -0.080 4.470 4.550 0.000 0.000 0.334 21 Y C 0.587 176.498 175.900 0.019 0.000 1.261 21 Y CA 0.925 59.043 58.100 0.030 0.000 1.560 21 Y CB 0.340 38.820 38.460 0.034 0.000 1.253 21 Y HN -0.108 nan 8.280 nan 0.000 0.582 22 T N 5.381 119.509 114.554 -0.709 0.000 3.012 22 T HA 0.275 4.626 4.350 0.000 0.000 0.330 22 T C -0.453 173.902 174.700 -0.574 0.000 1.321 22 T CA -0.731 61.083 62.100 -0.478 0.000 1.067 22 T CB 0.977 69.723 68.868 -0.203 0.000 1.235 22 T HN 0.738 nan 8.240 nan 0.000 0.479 23 E N 2.087 122.068 120.200 -0.364 0.000 2.451 23 E HA 0.140 4.490 4.350 0.000 0.000 0.194 23 E C 0.644 177.161 176.600 -0.137 0.000 1.027 23 E CA 0.060 56.313 56.400 -0.244 0.000 0.914 23 E CB 0.486 30.104 29.700 -0.138 0.000 1.054 23 E HN 0.704 nan 8.360 nan 0.000 0.461 24 T N -2.239 112.240 114.554 -0.124 0.000 3.337 24 T HA 0.133 4.483 4.350 0.000 0.000 0.299 24 T C -0.217 174.445 174.700 -0.063 0.000 0.998 24 T CA -0.527 61.528 62.100 -0.075 0.000 0.948 24 T CB 0.348 69.183 68.868 -0.055 0.000 1.170 24 T HN -0.151 nan 8.240 nan 0.000 0.508 25 D N 0.784 121.139 120.400 -0.075 0.000 2.337 25 D HA 0.203 4.844 4.640 0.000 0.000 0.238 25 D C 0.917 177.190 176.300 -0.045 0.000 1.331 25 D CA -0.213 53.756 54.000 -0.052 0.000 0.967 25 D CB 1.784 42.554 40.800 -0.049 0.000 1.382 25 D HN 0.047 nan 8.370 nan 0.000 0.549 26 T N 0.579 115.117 114.554 -0.026 0.000 2.897 26 T HA -0.159 4.192 4.350 0.000 0.000 0.271 26 T C 1.765 176.465 174.700 -0.000 0.000 1.084 26 T CA 2.322 64.418 62.100 -0.007 0.000 1.123 26 T CB 0.113 68.985 68.868 0.007 0.000 0.865 26 T HN 0.339 nan 8.240 nan 0.000 0.496 27 S N -0.441 115.255 115.700 -0.007 0.000 2.453 27 S HA 0.022 4.492 4.470 0.000 0.000 0.231 27 S C 1.887 176.486 174.600 -0.002 0.000 1.005 27 S CA 0.870 59.069 58.200 -0.002 0.000 0.949 27 S CB -0.245 62.953 63.200 -0.003 0.000 0.774 27 S HN 0.383 nan 8.310 nan 0.000 0.510 28 V N 0.586 120.494 119.914 -0.011 0.000 2.436 28 V HA 0.272 4.392 4.120 0.000 0.000 0.240 28 V C 0.608 176.698 176.094 -0.007 0.000 1.040 28 V CA 0.598 62.891 62.300 -0.011 0.000 1.052 28 V CB 0.241 32.048 31.823 -0.026 0.000 0.707 28 V HN 0.420 nan 8.190 nan 0.000 0.469 29 V N 1.684 121.581 119.914 -0.028 0.000 2.340 29 V HA 0.294 4.414 4.120 0.000 0.000 0.277 29 V C -1.887 174.219 176.094 0.021 0.000 1.017 29 V CA -0.930 61.365 62.300 -0.009 0.000 0.820 29 V CB 1.262 33.028 31.823 -0.095 0.000 1.028 29 V HN 0.314 nan 8.190 nan 0.000 0.436 30 P HA -0.092 nan 4.420 nan 0.000 0.218 30 P C 0.167 177.596 177.300 0.216 0.000 1.148 30 P CA 1.257 64.423 63.100 0.111 0.000 0.822 30 P CB 0.167 31.931 31.700 0.107 0.000 0.784 31 F N 0.728 120.712 119.950 0.058 0.000 2.809 31 F HA 0.395 4.922 4.527 0.000 0.000 0.369 31 F C -2.669 173.267 175.800 0.228 0.000 1.225 31 F CA -3.018 55.052 58.000 0.116 0.000 1.201 31 F CB 0.878 39.939 39.000 0.102 0.000 1.527 31 F HN -0.196 nan 8.300 nan 0.000 0.565 32 P HA 0.086 nan 4.420 nan 0.000 0.274 32 P C 0.939 178.205 177.300 -0.057 0.000 1.246 32 P CA -0.124 63.001 63.100 0.041 0.000 0.795 32 P CB 1.972 33.603 31.700 -0.116 0.000 1.006 33 V N 1.000 121.005 119.914 0.151 0.000 2.568 33 V HA -0.221 3.899 4.120 0.000 0.000 0.253 33 V C 2.545 178.602 176.094 -0.060 0.000 1.072 33 V CA 2.582 64.858 62.300 -0.040 0.000 1.084 33 V CB -1.777 29.993 31.823 -0.089 0.000 0.676 33 V HN 0.718 nan 8.190 nan 0.000 0.469 34 S N 0.038 115.718 115.700 -0.032 0.000 2.500 34 S HA -0.175 4.296 4.470 0.000 0.000 0.239 34 S C 1.492 176.046 174.600 -0.077 0.000 0.989 34 S CA 1.446 59.625 58.200 -0.036 0.000 0.951 34 S CB -0.863 62.325 63.200 -0.020 0.000 0.759 34 S HN 0.763 nan 8.310 nan 0.000 0.523 35 N N 0.797 119.380 118.700 -0.195 0.000 2.494 35 N HA 0.170 4.911 4.740 0.000 0.000 0.182 35 N C -0.265 175.229 175.510 -0.027 0.000 1.076 35 N CA 0.380 53.324 53.050 -0.177 0.000 0.908 35 N CB -0.034 38.193 38.487 -0.435 0.000 0.967 35 N HN 0.481 nan 8.380 nan 0.000 0.449 36 I N 2.258 122.823 120.570 -0.007 0.000 2.256 36 I HA 0.033 4.203 4.170 0.000 0.000 0.294 36 I C 0.884 177.041 176.117 0.068 0.000 1.127 36 I CA -0.442 60.924 61.300 0.110 0.000 1.247 36 I CB 0.254 38.346 38.000 0.153 0.000 1.460 36 I HN -0.005 nan 8.210 nan 0.000 0.511 37 T N 2.600 117.184 114.554 0.050 0.000 2.726 37 T HA 0.225 4.575 4.350 0.000 0.000 0.294 37 T C -1.704 172.963 174.700 -0.056 0.000 1.013 37 T CA -1.408 60.686 62.100 -0.011 0.000 0.996 37 T CB 0.962 69.822 68.868 -0.013 0.000 1.016 37 T HN 0.192 nan 8.240 nan 0.000 0.529 38 P HA -0.015 nan 4.420 nan 0.000 0.216 38 P C 1.658 178.886 177.300 -0.120 0.000 1.150 38 P CA 1.495 64.351 63.100 -0.407 0.000 0.837 38 P CB -0.337 30.915 31.700 -0.747 0.000 0.786 39 A N 0.108 122.887 122.820 -0.069 0.000 1.877 39 A HA -0.238 4.082 4.320 0.000 0.000 0.216 39 A C 2.055 179.662 177.584 0.038 0.000 1.186 39 A CA 1.849 53.882 52.037 -0.008 0.000 0.620 39 A CB -1.017 17.981 19.000 -0.003 0.000 0.822 39 A HN 0.161 nan 8.150 nan 0.000 0.443 40 K N -0.269 120.166 120.400 0.060 0.000 2.097 40 K HA 0.014 4.334 4.320 0.000 0.000 0.205 40 K C 2.258 178.939 176.600 0.134 0.000 1.050 40 K CA 0.973 57.328 56.287 0.114 0.000 0.938 40 K CB -0.315 32.278 32.500 0.155 0.000 0.718 40 K HN 0.431 nan 8.250 nan 0.000 0.442 41 A N 2.052 124.943 122.820 0.118 0.000 1.933 41 A HA -0.194 4.126 4.320 0.000 0.000 0.218 41 A C 1.839 179.496 177.584 0.123 0.000 1.175 41 A CA 1.505 53.626 52.037 0.140 0.000 0.628 41 A CB -0.266 18.843 19.000 0.183 0.000 0.814 41 A HN 0.195 nan 8.150 nan 0.000 0.444 42 K N -0.681 119.780 120.400 0.102 0.000 2.288 42 K HA -0.091 4.230 4.320 0.000 0.000 0.201 42 K C 1.972 178.627 176.600 0.091 0.000 1.048 42 K CA 1.254 57.594 56.287 0.089 0.000 0.956 42 K CB -0.085 32.457 32.500 0.069 0.000 0.746 42 K HN 0.594 nan 8.250 nan 0.000 0.461 43 Q N 0.165 120.028 119.800 0.104 0.000 2.432 43 Q HA 0.082 4.422 4.340 0.000 0.000 0.205 43 Q C -0.026 176.069 176.000 0.158 0.000 0.945 43 Q CA 0.308 56.182 55.803 0.118 0.000 0.924 43 Q CB 0.261 29.064 28.738 0.109 0.000 1.016 43 Q HN 0.190 nan 8.270 nan 0.000 0.503 44 L N -0.477 120.841 121.223 0.158 0.000 2.344 44 L HA 0.238 4.578 4.340 0.000 0.000 0.272 44 L C 1.164 178.099 176.870 0.108 0.000 1.035 44 L CA -0.200 54.740 54.840 0.167 0.000 0.807 44 L CB 1.578 43.741 42.059 0.173 0.000 1.237 44 L HN 0.049 nan 8.230 nan 0.000 0.442 45 T N -3.579 111.039 114.554 0.107 0.000 2.978 45 T HA 0.233 4.584 4.350 0.000 0.000 0.248 45 T C 0.245 174.841 174.700 -0.174 0.000 1.018 45 T CA 0.093 62.198 62.100 0.009 0.000 1.026 45 T CB 0.072 68.999 68.868 0.099 0.000 1.032 45 T HN 0.520 nan 8.240 nan 0.000 0.485 46 H N -0.410 118.656 119.070 -0.007 0.000 2.894 46 H HA 0.703 5.259 4.556 0.000 0.000 0.367 46 H C -1.328 173.962 175.328 -0.062 0.000 1.144 46 H CA -0.840 55.192 56.048 -0.027 0.000 1.180 46 H CB 1.759 31.478 29.762 -0.072 0.000 1.758 46 H HN 0.156 nan 8.280 nan 0.000 0.541 47 I N 2.231 122.856 120.570 0.093 0.000 2.436 47 I HA 0.232 4.402 4.170 0.000 0.000 0.289 47 I C -0.567 175.555 176.117 0.008 0.000 1.010 47 I CA -0.828 60.494 61.300 0.036 0.000 1.098 47 I CB 1.382 39.454 38.000 0.120 0.000 1.266 47 I HN 0.510 nan 8.210 nan 0.000 0.434 48 N N 6.407 124.994 118.700 -0.187 0.000 2.500 48 N HA 0.205 4.945 4.740 0.000 0.000 0.236 48 N C -0.657 174.805 175.510 -0.079 0.000 1.022 48 N CA -0.297 52.588 53.050 -0.275 0.000 0.935 48 N CB 0.588 38.537 38.487 -0.897 0.000 1.147 48 N HN 0.377 nan 8.380 nan 0.000 0.512 49 F N 2.504 122.457 119.950 0.006 0.000 2.538 49 F HA 0.218 4.745 4.527 0.000 0.000 0.371 49 F C 0.466 176.280 175.800 0.022 0.000 1.087 49 F CA -0.266 57.813 58.000 0.131 0.000 1.250 49 F CB 0.387 39.544 39.000 0.261 0.000 1.110 49 F HN 0.350 nan 8.300 nan 0.000 0.570 50 S N 5.258 120.466 115.700 -0.820 0.000 2.549 50 S HA 0.765 5.235 4.470 0.000 0.000 0.280 50 S C -1.307 172.989 174.600 -0.507 0.000 1.109 50 S CA -0.807 56.971 58.200 -0.702 0.000 0.905 50 S CB 1.615 64.121 63.200 -1.156 0.000 1.081 50 S HN 0.484 nan 8.310 nan 0.000 0.477 51 F N 0.582 120.632 119.950 0.166 0.000 2.563 51 F HA 0.718 5.246 4.527 0.000 0.000 0.316 51 F C -0.280 175.699 175.800 0.298 0.000 1.076 51 F CA -0.884 57.279 58.000 0.272 0.000 0.921 51 F CB 1.592 40.806 39.000 0.358 0.000 1.209 51 F HN 0.512 nan 8.300 nan 0.000 0.462 52 L N 1.024 122.501 121.223 0.423 0.000 2.492 52 L HA 0.584 4.924 4.340 0.000 0.000 0.263 52 L C -0.446 176.569 176.870 0.243 0.000 1.062 52 L CA -0.152 54.782 54.840 0.158 0.000 0.817 52 L CB 1.128 43.117 42.059 -0.117 0.000 1.441 52 L HN 0.638 nan 8.230 nan 0.000 0.493 53 D N -1.551 118.852 120.400 0.005 0.000 2.798 53 D HA 0.540 5.181 4.640 0.000 0.000 0.308 53 D C -1.548 174.652 176.300 -0.167 0.000 1.187 53 D CA -0.337 53.575 54.000 -0.148 0.000 1.033 53 D CB 1.305 41.698 40.800 -0.678 0.000 1.445 53 D HN 0.245 nan 8.370 nan 0.000 0.550 54 I N 2.022 122.374 120.570 -0.363 0.000 2.447 54 I HA 0.324 4.494 4.170 0.000 0.000 0.287 54 I C -0.263 175.650 176.117 -0.340 0.000 1.023 54 I CA -0.949 60.096 61.300 -0.424 0.000 1.083 54 I CB 1.520 38.967 38.000 -0.922 0.000 1.245 54 I HN 0.345 nan 8.210 nan 0.000 0.434 55 N N 3.204 121.782 118.700 -0.203 0.000 2.418 55 N HA 0.129 4.869 4.740 0.000 0.000 0.283 55 N C 0.907 176.327 175.510 -0.150 0.000 1.267 55 N CA -0.499 52.460 53.050 -0.152 0.000 0.975 55 N CB 0.383 38.825 38.487 -0.075 0.000 1.167 55 N HN 0.534 nan 8.380 nan 0.000 0.581 56 S N -1.834 113.802 115.700 -0.106 0.000 2.474 56 S HA -0.160 4.311 4.470 0.000 0.000 0.235 56 S C 1.063 175.616 174.600 -0.079 0.000 0.997 56 S CA 0.746 58.889 58.200 -0.095 0.000 0.949 56 S CB -0.833 62.328 63.200 -0.066 0.000 0.766 56 S HN 0.730 nan 8.310 nan 0.000 0.517 57 N N 1.223 119.886 118.700 -0.062 0.000 2.461 57 N HA 0.132 4.873 4.740 0.000 0.000 0.188 57 N C -0.147 175.334 175.510 -0.048 0.000 1.134 57 N CA 0.356 53.382 53.050 -0.041 0.000 0.878 57 N CB -0.193 38.283 38.487 -0.017 0.000 0.972 57 N HN 0.432 nan 8.380 nan 0.000 0.456 58 L N 0.146 121.313 121.223 -0.092 0.000 3.730 58 L HA -0.218 4.123 4.340 0.000 0.000 0.410 58 L C -1.010 175.852 176.870 -0.014 0.000 1.234 58 L CA 0.726 55.493 54.840 -0.122 0.000 0.911 58 L CB -1.980 40.014 42.059 -0.108 0.000 1.942 58 L HN 0.284 nan 8.230 nan 0.000 0.860 59 E N -0.620 119.594 120.200 0.023 0.000 2.336 59 E HA 0.414 4.765 4.350 0.000 0.000 0.267 59 E C -0.328 176.356 176.600 0.139 0.000 0.906 59 E CA -0.790 55.697 56.400 0.145 0.000 0.781 59 E CB 2.674 32.420 29.700 0.077 0.000 1.261 59 E HN 0.276 nan 8.360 nan 0.000 0.436 60 C N 1.960 121.388 119.300 0.212 0.000 2.642 60 C HA 0.597 5.057 4.460 0.000 0.000 0.420 60 C C 0.066 175.089 174.990 0.055 0.000 1.349 60 C CA 0.240 59.352 59.018 0.157 0.000 1.821 60 C CB -1.591 26.229 27.740 0.132 0.000 2.637 60 C HN 0.651 nan 8.230 nan 0.000 0.605 61 A N 4.988 127.810 122.820 0.004 0.000 2.608 61 A HA 0.679 4.999 4.320 0.000 0.000 0.292 61 A C -1.471 176.107 177.584 -0.011 0.000 1.066 61 A CA -0.676 51.374 52.037 0.022 0.000 0.676 61 A CB 0.209 19.243 19.000 0.057 0.000 1.277 61 A HN 0.930 nan 8.150 nan 0.000 0.413 62 W N 0.883 122.185 121.300 0.004 0.000 2.161 62 W HA 0.421 5.082 4.660 0.000 0.000 0.344 62 W C 0.564 177.111 176.519 0.047 0.000 1.262 62 W CA 0.818 58.185 57.345 0.037 0.000 1.270 62 W CB 0.545 30.004 29.460 -0.002 0.000 1.126 62 W HN 0.737 nan 8.180 nan 0.000 0.598 63 D N 2.557 123.177 120.400 0.367 0.000 2.487 63 D HA -0.026 4.614 4.640 0.000 0.000 0.243 63 D C -1.428 175.009 176.300 0.228 0.000 1.154 63 D CA -1.238 52.916 54.000 0.257 0.000 0.876 63 D CB 1.210 42.230 40.800 0.367 0.000 1.161 63 D HN -0.009 nan 8.370 nan 0.000 0.478 64 P HA -0.121 nan 4.420 nan 0.000 0.218 64 P C 0.720 178.082 177.300 0.104 0.000 1.146 64 P CA 1.584 64.753 63.100 0.114 0.000 0.813 64 P CB 0.099 31.846 31.700 0.079 0.000 0.778 65 A N -1.595 121.299 122.820 0.123 0.000 2.235 65 A HA 0.030 4.350 4.320 0.000 0.000 0.208 65 A C 0.923 178.563 177.584 0.094 0.000 1.172 65 A CA 0.613 52.712 52.037 0.104 0.000 0.786 65 A CB -1.214 17.858 19.000 0.119 0.000 0.804 65 A HN 0.126 nan 8.150 nan 0.000 0.479 66 T N 1.985 116.604 114.554 0.108 0.000 2.834 66 T HA 0.071 4.421 4.350 0.000 0.000 0.298 66 T C 0.283 174.964 174.700 -0.032 0.000 0.966 66 T CA -0.376 61.758 62.100 0.057 0.000 1.141 66 T CB 0.256 69.167 68.868 0.072 0.000 0.905 66 T HN 0.423 nan 8.240 nan 0.000 0.535 67 N N 2.795 121.468 118.700 -0.045 0.000 2.416 67 N HA -0.032 4.708 4.740 0.000 0.000 0.265 67 N C 0.747 176.163 175.510 -0.156 0.000 1.195 67 N CA -0.053 52.956 53.050 -0.067 0.000 0.943 67 N CB 1.032 39.497 38.487 -0.038 0.000 1.115 67 N HN 0.615 nan 8.380 nan 0.000 0.481 68 D N 3.894 124.195 120.400 -0.165 0.000 2.123 68 D HA -0.116 4.524 4.640 0.000 0.000 0.196 68 D C 1.699 177.873 176.300 -0.210 0.000 0.992 68 D CA 1.771 55.628 54.000 -0.239 0.000 0.833 68 D CB 0.223 40.936 40.800 -0.146 0.000 0.954 68 D HN 0.672 nan 8.370 nan 0.000 0.455 69 A N 0.366 123.102 122.820 -0.140 0.000 1.902 69 A HA -0.162 4.158 4.320 0.000 0.000 0.217 69 A C 2.101 179.602 177.584 -0.137 0.000 1.181 69 A CA 1.249 53.213 52.037 -0.123 0.000 0.623 69 A CB -0.392 18.557 19.000 -0.084 0.000 0.818 69 A HN 0.052 nan 8.150 nan 0.000 0.443 70 K N 0.010 120.335 120.400 -0.124 0.000 2.147 70 K HA -0.043 4.278 4.320 0.000 0.000 0.205 70 K C 2.205 178.687 176.600 -0.196 0.000 1.049 70 K CA 1.276 57.496 56.287 -0.111 0.000 0.936 70 K CB -0.730 31.743 32.500 -0.045 0.000 0.722 70 K HN 0.472 nan 8.250 nan 0.000 0.446 71 A N 1.437 124.077 122.820 -0.299 0.000 1.873 71 A HA -0.151 4.169 4.320 0.000 0.000 0.215 71 A C 2.236 179.585 177.584 -0.391 0.000 1.186 71 A CA 1.250 52.994 52.037 -0.488 0.000 0.616 71 A CB -0.370 17.977 19.000 -1.089 0.000 0.823 71 A HN 0.244 nan 8.150 nan 0.000 0.442 72 R N -0.570 119.767 120.500 -0.272 0.000 2.096 72 R HA -0.167 4.173 4.340 0.000 0.000 0.235 72 R C 1.979 178.161 176.300 -0.197 0.000 1.127 72 R CA 1.621 57.625 56.100 -0.159 0.000 0.968 72 R CB -0.435 29.783 30.300 -0.136 0.000 0.861 72 R HN 0.708 nan 8.270 nan 0.000 0.440 73 D N 0.025 120.307 120.400 -0.197 0.000 2.117 73 D HA -0.128 4.512 4.640 0.000 0.000 0.197 73 D C 1.706 177.842 176.300 -0.273 0.000 0.987 73 D CA 0.985 54.871 54.000 -0.189 0.000 0.829 73 D CB 0.195 40.909 40.800 -0.144 0.000 0.961 73 D HN -0.054 nan 8.370 nan 0.000 0.460 74 V N -0.201 119.494 119.914 -0.364 0.000 2.295 74 V HA -0.198 3.923 4.120 0.000 0.000 0.246 74 V C 2.572 178.482 176.094 -0.306 0.000 1.049 74 V CA 1.291 63.323 62.300 -0.448 0.000 1.024 74 V CB -0.335 31.269 31.823 -0.365 0.000 0.648 74 V HN 0.182 nan 8.190 nan 0.000 0.447 75 V N 0.730 120.456 119.914 -0.314 0.000 2.407 75 V HA -0.225 3.895 4.120 0.000 0.000 0.248 75 V C 2.327 178.269 176.094 -0.253 0.000 1.055 75 V CA 1.981 64.079 62.300 -0.336 0.000 1.049 75 V CB -0.889 30.643 31.823 -0.484 0.000 0.662 75 V HN 0.577 nan 8.190 nan 0.000 0.455 76 N N 0.490 119.056 118.700 -0.222 0.000 2.149 76 N HA -0.162 4.578 4.740 0.000 0.000 0.188 76 N C 1.949 177.378 175.510 -0.134 0.000 1.019 76 N CA 1.348 54.297 53.050 -0.168 0.000 0.857 76 N CB -0.376 38.025 38.487 -0.143 0.000 0.997 76 N HN 0.490 nan 8.380 nan 0.000 0.426 77 R N 0.369 120.783 120.500 -0.143 0.000 2.120 77 R HA 0.043 4.383 4.340 0.000 0.000 0.234 77 R C 2.190 178.434 176.300 -0.093 0.000 1.123 77 R CA 0.687 56.726 56.100 -0.103 0.000 0.975 77 R CB -0.227 30.009 30.300 -0.107 0.000 0.866 77 R HN 0.226 nan 8.270 nan 0.000 0.446 78 L N -0.133 121.016 121.223 -0.123 0.000 2.044 78 L HA -0.107 4.233 4.340 0.000 0.000 0.205 78 L C 2.561 179.410 176.870 -0.035 0.000 1.075 78 L CA 1.579 56.373 54.840 -0.078 0.000 0.747 78 L CB -0.690 41.337 42.059 -0.054 0.000 0.903 78 L HN 0.335 nan 8.230 nan 0.000 0.435 79 T N -2.737 111.779 114.554 -0.062 0.000 3.035 79 T HA -0.020 4.330 4.350 0.000 0.000 0.268 79 T C 1.830 176.494 174.700 -0.059 0.000 1.109 79 T CA 0.737 62.809 62.100 -0.048 0.000 1.119 79 T CB -0.199 68.623 68.868 -0.076 0.000 0.900 79 T HN 0.280 nan 8.240 nan 0.000 0.503 80 A N 1.640 124.417 122.820 -0.070 0.000 2.015 80 A HA 0.217 4.537 4.320 0.000 0.000 0.219 80 A C 2.316 179.831 177.584 -0.115 0.000 1.163 80 A CA 0.848 52.832 52.037 -0.087 0.000 0.646 80 A CB -0.848 18.111 19.000 -0.068 0.000 0.806 80 A HN 0.564 nan 8.150 nan 0.000 0.448 81 L N -0.754 120.443 121.223 -0.043 0.000 2.187 81 L HA -0.216 4.124 4.340 0.000 0.000 0.213 81 L C 2.308 179.153 176.870 -0.042 0.000 1.100 81 L CA 1.482 56.335 54.840 0.022 0.000 0.765 81 L CB -0.428 41.685 42.059 0.091 0.000 0.904 81 L HN 0.359 nan 8.230 nan 0.000 0.437 82 K N 0.182 120.548 120.400 -0.057 0.000 2.281 82 K HA -0.147 4.173 4.320 0.000 0.000 0.203 82 K C 2.145 178.681 176.600 -0.106 0.000 1.046 82 K CA 1.093 57.349 56.287 -0.052 0.000 0.938 82 K CB -0.236 32.241 32.500 -0.038 0.000 0.737 82 K HN 0.316 nan 8.250 nan 0.000 0.458 83 A N 0.623 123.307 122.820 -0.228 0.000 2.070 83 A HA -0.172 4.149 4.320 0.000 0.000 0.220 83 A C 1.240 178.672 177.584 -0.253 0.000 1.159 83 A CA 1.326 53.198 52.037 -0.276 0.000 0.656 83 A CB -0.573 18.197 19.000 -0.383 0.000 0.800 83 A HN 0.424 nan 8.150 nan 0.000 0.453 84 H N -2.203 116.872 119.070 0.009 0.000 2.575 84 H HA 0.170 4.726 4.556 0.000 0.000 0.267 84 H C 0.048 175.386 175.328 0.016 0.000 0.966 84 H CA 0.405 56.461 56.048 0.014 0.000 1.165 84 H CB 0.350 30.125 29.762 0.020 0.000 1.433 84 H HN 0.443 nan 8.280 nan 0.000 0.544 85 N N 0.346 119.097 118.700 0.084 0.000 2.629 85 N HA 0.046 4.786 4.740 0.000 0.000 0.277 85 N C -2.462 173.059 175.510 0.018 0.000 1.188 85 N CA -1.882 51.203 53.050 0.059 0.000 0.835 85 N CB 1.415 39.947 38.487 0.074 0.000 1.420 85 N HN -0.141 nan 8.380 nan 0.000 0.542 86 P HA 0.018 nan 4.420 nan 0.000 0.236 86 P C 0.230 177.520 177.300 -0.017 0.000 1.172 86 P CA 0.663 63.758 63.100 -0.008 0.000 0.759 86 P CB 0.431 32.128 31.700 -0.005 0.000 0.843 87 S N -0.938 114.753 115.700 -0.014 0.000 2.512 87 S HA 0.107 4.577 4.470 0.000 0.000 0.216 87 S C 0.697 175.251 174.600 -0.077 0.000 1.006 87 S CA -0.435 57.744 58.200 -0.035 0.000 0.915 87 S CB -0.309 62.882 63.200 -0.015 0.000 0.824 87 S HN 0.084 nan 8.310 nan 0.000 0.497 88 L N 3.394 124.586 121.223 -0.053 0.000 2.453 88 L HA 0.292 4.633 4.340 0.000 0.000 0.272 88 L C -0.054 176.768 176.870 -0.079 0.000 1.182 88 L CA 0.511 55.311 54.840 -0.067 0.000 0.858 88 L CB 0.229 42.288 42.059 0.000 0.000 1.120 88 L HN 0.014 nan 8.230 nan 0.000 0.474 89 R N 5.641 126.063 120.500 -0.129 0.000 2.599 89 R HA 0.557 4.898 4.340 0.000 0.000 0.295 89 R C -1.187 175.159 176.300 0.076 0.000 0.963 89 R CA -0.946 55.134 56.100 -0.034 0.000 0.883 89 R CB 1.760 32.010 30.300 -0.082 0.000 1.171 89 R HN 0.496 nan 8.270 nan 0.000 0.450 90 I N 4.564 125.237 120.570 0.171 0.000 2.347 90 I HA 0.234 4.404 4.170 0.000 0.000 0.283 90 I C 0.215 176.554 176.117 0.370 0.000 1.058 90 I CA -0.341 61.117 61.300 0.263 0.000 1.202 90 I CB 0.673 38.844 38.000 0.284 0.000 1.386 90 I HN 0.513 nan 8.210 nan 0.000 0.475 91 M N 5.921 125.662 119.600 0.236 0.000 2.197 91 M HA 0.406 4.886 4.480 0.000 0.000 0.305 91 M C -0.213 176.085 176.300 -0.002 0.000 1.162 91 M CA -0.305 55.073 55.300 0.130 0.000 1.099 91 M CB 0.860 33.476 32.600 0.026 0.000 1.430 91 M HN 0.376 nan 8.290 nan 0.000 0.481 92 F N -1.303 118.387 119.950 -0.433 0.000 2.551 92 F HA 0.741 5.268 4.527 0.000 0.000 0.316 92 F C -0.735 174.919 175.800 -0.243 0.000 1.089 92 F CA -0.950 56.674 58.000 -0.627 0.000 0.915 92 F CB 1.078 39.152 39.000 -1.543 0.000 1.186 92 F HN 0.390 nan 8.300 nan 0.000 0.456 93 S N 3.869 119.555 115.700 -0.023 0.000 2.449 93 S HA 0.641 5.111 4.470 0.000 0.000 0.310 93 S C -0.463 174.339 174.600 0.336 0.000 1.096 93 S CA -0.598 57.661 58.200 0.097 0.000 1.095 93 S CB 1.009 64.384 63.200 0.292 0.000 1.007 93 S HN 0.572 nan 8.310 nan 0.000 0.474 94 I N 3.223 123.955 120.570 0.270 0.000 2.321 94 I HA 0.632 4.802 4.170 0.000 0.000 0.291 94 I C 1.003 177.370 176.117 0.416 0.000 0.998 94 I CA 0.056 61.575 61.300 0.365 0.000 1.227 94 I CB 0.775 38.953 38.000 0.296 0.000 1.368 94 I HN 0.927 nan 8.210 nan 0.000 0.466 95 G N 4.261 113.305 108.800 0.406 0.000 2.637 95 G HA2 0.314 4.274 3.960 0.000 0.000 0.211 95 G HA3 0.314 4.274 3.960 0.000 0.000 0.211 95 G C 0.039 174.594 174.900 -0.574 0.000 1.213 95 G CA 0.033 45.173 45.100 0.066 0.000 1.207 95 G HN 1.500 nan 8.290 nan 0.000 0.559 96 G N -1.814 106.489 108.800 -0.829 0.000 2.699 96 G HA2 0.066 4.026 3.960 0.000 0.000 0.686 96 G HA3 0.066 4.026 3.960 0.000 0.000 0.686 96 G C 0.775 175.243 174.900 -0.720 0.000 1.301 96 G CA 0.498 44.819 45.100 -1.297 0.000 0.816 96 G HN 1.954 nan 8.290 nan 0.000 0.595 97 W N 0.473 121.339 121.300 -0.723 0.000 2.317 97 W HA -0.238 4.423 4.660 0.000 0.000 0.318 97 W C 2.082 178.364 176.519 -0.396 0.000 1.227 97 W CA 2.743 59.771 57.345 -0.528 0.000 1.269 97 W CB -0.360 28.828 29.460 -0.454 0.000 1.155 97 W HN 0.716 nan 8.180 nan 0.000 0.484 98 Y N 0.386 120.452 120.300 -0.390 0.000 2.128 98 Y HA -0.331 4.219 4.550 0.000 0.000 0.284 98 Y C 2.380 178.066 175.900 -0.357 0.000 1.154 98 Y CA 2.644 60.517 58.100 -0.378 0.000 1.149 98 Y CB -1.234 37.010 38.460 -0.360 0.000 0.976 98 Y HN -0.079 nan 8.280 nan 0.000 0.505 99 Y N -0.932 119.121 120.300 -0.413 0.000 2.314 99 Y HA -0.042 4.509 4.550 0.000 0.000 0.294 99 Y C 2.830 178.394 175.900 -0.561 0.000 1.119 99 Y CA 1.079 58.921 58.100 -0.431 0.000 1.179 99 Y CB -0.916 37.426 38.460 -0.197 0.000 1.025 99 Y HN 0.281 nan 8.280 nan 0.000 0.541 100 S N -0.173 115.168 115.700 -0.597 0.000 2.523 100 S HA 0.068 4.539 4.470 0.000 0.000 0.217 100 S C 0.430 174.636 174.600 -0.657 0.000 0.996 100 S CA -0.340 57.329 58.200 -0.886 0.000 0.921 100 S CB -1.121 61.318 63.200 -1.268 0.000 0.829 100 S HN 0.487 nan 8.310 nan 0.000 0.495 101 N N 1.701 119.867 118.700 -0.890 0.000 2.340 101 N HA 0.064 4.804 4.740 0.000 0.000 0.236 101 N C 0.222 175.292 175.510 -0.734 0.000 1.296 101 N CA 0.154 52.557 53.050 -1.078 0.000 0.896 101 N CB 0.168 37.287 38.487 -2.280 0.000 1.127 101 N HN -0.154 nan 8.380 nan 0.000 0.442 102 D N 0.195 120.185 120.400 -0.683 0.000 2.172 102 D HA -0.157 4.483 4.640 0.000 0.000 0.196 102 D C 1.098 177.005 176.300 -0.655 0.000 0.999 102 D CA 1.456 54.918 54.000 -0.896 0.000 0.856 102 D CB -0.142 40.383 40.800 -0.460 0.000 0.934 102 D HN 0.544 nan 8.370 nan 0.000 0.453 103 L N -0.164 120.790 121.223 -0.449 0.000 2.700 103 L HA 0.302 4.642 4.340 0.000 0.000 0.234 103 L C 1.282 177.968 176.870 -0.308 0.000 1.156 103 L CA -0.510 54.153 54.840 -0.294 0.000 0.946 103 L CB 0.288 42.234 42.059 -0.188 0.000 1.216 103 L HN -0.121 nan 8.230 nan 0.000 0.493 104 G N 0.017 108.568 108.800 -0.415 0.000 2.572 104 G HA2 0.274 4.234 3.960 0.000 0.000 0.261 104 G HA3 0.274 4.234 3.960 0.000 0.000 0.261 104 G C 1.211 175.928 174.900 -0.306 0.000 1.197 104 G CA 0.025 44.861 45.100 -0.441 0.000 0.870 104 G HN 0.011 nan 8.290 nan 0.000 0.548 105 V N -1.310 118.386 119.914 -0.364 0.000 2.568 105 V HA -0.071 4.049 4.120 0.000 0.000 0.253 105 V C 1.658 177.668 176.094 -0.139 0.000 1.072 105 V CA 2.326 64.491 62.300 -0.226 0.000 1.084 105 V CB -0.227 31.448 31.823 -0.246 0.000 0.676 105 V HN 0.426 nan 8.190 nan 0.000 0.469 106 S N -1.389 114.235 115.700 -0.126 0.000 2.730 106 S HA 0.224 4.694 4.470 0.000 0.000 0.244 106 S C 1.378 175.956 174.600 -0.037 0.000 1.022 106 S CA 0.122 58.274 58.200 -0.080 0.000 1.014 106 S CB -0.488 62.670 63.200 -0.070 0.000 0.963 106 S HN 0.811 nan 8.310 nan 0.000 0.540 107 H N 2.513 121.465 119.070 -0.197 0.000 2.321 107 H HA -0.195 4.362 4.556 0.000 0.000 0.295 107 H C 2.148 177.364 175.328 -0.186 0.000 1.102 107 H CA 1.962 57.859 56.048 -0.252 0.000 1.266 107 H CB -0.090 29.511 29.762 -0.268 0.000 1.363 107 H HN 0.477 nan 8.280 nan 0.000 0.492 108 A N 1.108 123.823 122.820 -0.174 0.000 1.972 108 A HA -0.205 4.115 4.320 0.000 0.000 0.219 108 A C 2.223 179.635 177.584 -0.286 0.000 1.169 108 A CA 1.563 53.475 52.037 -0.209 0.000 0.635 108 A CB -0.347 18.595 19.000 -0.097 0.000 0.810 108 A HN 0.547 nan 8.150 nan 0.000 0.446 109 N N -0.959 117.569 118.700 -0.287 0.000 2.223 109 N HA -0.151 4.589 4.740 0.000 0.000 0.185 109 N C 1.418 176.561 175.510 -0.613 0.000 1.016 109 N CA 1.577 54.395 53.050 -0.388 0.000 0.863 109 N CB -0.599 37.652 38.487 -0.393 0.000 0.983 109 N HN 0.653 nan 8.380 nan 0.000 0.429 110 Y N 1.034 120.871 120.300 -0.771 0.000 2.163 110 Y HA -0.055 4.495 4.550 0.000 0.000 0.288 110 Y C 2.528 177.864 175.900 -0.941 0.000 1.136 110 Y CA 0.547 57.971 58.100 -1.125 0.000 1.147 110 Y CB -0.787 36.492 38.460 -1.970 0.000 0.987 110 Y HN -0.192 nan 8.280 nan 0.000 0.509 111 V N 0.492 120.026 119.914 -0.633 0.000 2.332 111 V HA -0.333 3.787 4.120 0.000 0.000 0.248 111 V C 1.586 177.595 176.094 -0.142 0.000 1.055 111 V CA 2.408 64.573 62.300 -0.225 0.000 1.038 111 V CB -0.773 30.939 31.823 -0.185 0.000 0.651 111 V HN 0.489 nan 8.190 nan 0.000 0.450 112 N N 0.064 118.638 118.700 -0.210 0.000 2.300 112 N HA -0.015 4.725 4.740 0.000 0.000 0.179 112 N C 1.858 177.273 175.510 -0.158 0.000 1.016 112 N CA 0.951 53.913 53.050 -0.147 0.000 0.876 112 N CB -0.271 38.131 38.487 -0.142 0.000 0.979 112 N HN 0.467 nan 8.380 nan 0.000 0.432 113 A N 0.837 123.492 122.820 -0.275 0.000 1.972 113 A HA -0.080 4.240 4.320 0.000 0.000 0.219 113 A C 2.093 179.583 177.584 -0.156 0.000 1.169 113 A CA 1.324 53.187 52.037 -0.290 0.000 0.635 113 A CB -0.547 18.064 19.000 -0.650 0.000 0.810 113 A HN 0.248 nan 8.150 nan 0.000 0.446 114 V N -3.556 116.301 119.914 -0.094 0.000 3.649 114 V HA 0.165 4.285 4.120 0.000 0.000 0.275 114 V C 1.532 177.667 176.094 0.067 0.000 1.281 114 V CA 0.890 63.221 62.300 0.052 0.000 1.143 114 V CB -0.449 31.497 31.823 0.205 0.000 0.892 114 V HN 0.393 nan 8.190 nan 0.000 0.441 115 K N 1.748 122.165 120.400 0.028 0.000 2.026 115 K HA -0.030 4.291 4.320 0.000 0.000 0.208 115 K C 1.189 177.809 176.600 0.033 0.000 1.048 115 K CA 1.926 58.232 56.287 0.032 0.000 0.929 115 K CB -0.121 32.384 32.500 0.008 0.000 0.713 115 K HN 0.801 nan 8.250 nan 0.000 0.439 116 T N -3.818 110.753 114.554 0.028 0.000 2.888 116 T HA 0.267 4.618 4.350 0.000 0.000 0.288 116 T C -2.477 172.244 174.700 0.034 0.000 1.063 116 T CA -1.931 60.186 62.100 0.028 0.000 1.010 116 T CB 1.855 70.734 68.868 0.018 0.000 1.214 116 T HN -0.290 nan 8.240 nan 0.000 0.533 117 P HA 0.032 nan 4.420 nan 0.000 0.216 117 P C 1.652 178.971 177.300 0.031 0.000 1.153 117 P CA 1.584 64.702 63.100 0.030 0.000 0.848 117 P CB -0.284 31.430 31.700 0.022 0.000 0.787 118 A N 0.124 122.959 122.820 0.025 0.000 1.877 118 A HA -0.198 4.122 4.320 0.000 0.000 0.216 118 A C 2.406 180.009 177.584 0.032 0.000 1.186 118 A CA 2.461 54.512 52.037 0.023 0.000 0.620 118 A CB -1.681 17.328 19.000 0.016 0.000 0.822 118 A HN 0.330 nan 8.150 nan 0.000 0.443 119 S N -0.230 115.489 115.700 0.031 0.000 2.383 119 S HA -0.162 4.308 4.470 0.000 0.000 0.227 119 S C 2.023 176.674 174.600 0.085 0.000 1.026 119 S CA 1.169 59.391 58.200 0.037 0.000 0.981 119 S CB -0.467 62.737 63.200 0.006 0.000 0.818 119 S HN 0.592 nan 8.310 nan 0.000 0.472 120 R N 1.317 121.869 120.500 0.088 0.000 2.092 120 R HA 0.105 4.445 4.340 0.000 0.000 0.231 120 R C 2.784 179.158 176.300 0.123 0.000 1.119 120 R CA 1.212 57.396 56.100 0.140 0.000 0.970 120 R CB -0.767 29.596 30.300 0.104 0.000 0.864 120 R HN 0.584 nan 8.270 nan 0.000 0.440 121 A N 1.573 124.434 122.820 0.069 0.000 1.877 121 A HA -0.217 4.103 4.320 0.000 0.000 0.216 121 A C 2.078 179.683 177.584 0.035 0.000 1.186 121 A CA 1.510 53.570 52.037 0.037 0.000 0.620 121 A CB -0.393 18.621 19.000 0.023 0.000 0.822 121 A HN 0.221 nan 8.150 nan 0.000 0.443 122 K N -1.484 118.948 120.400 0.054 0.000 2.032 122 K HA -0.194 4.126 4.320 0.000 0.000 0.209 122 K C 1.863 178.510 176.600 0.078 0.000 1.048 122 K CA 1.848 58.166 56.287 0.052 0.000 0.927 122 K CB -0.385 32.147 32.500 0.054 0.000 0.712 122 K HN 0.386 nan 8.250 nan 0.000 0.441 123 F N 1.453 121.386 119.950 -0.028 0.000 2.069 123 F HA -0.156 4.372 4.527 0.000 0.000 0.298 123 F C 2.038 177.829 175.800 -0.015 0.000 1.113 123 F CA 1.550 59.528 58.000 -0.037 0.000 1.214 123 F CB -0.901 38.067 39.000 -0.053 0.000 0.978 123 F HN 0.117 nan 8.300 nan 0.000 0.474 124 A N 0.146 122.806 122.820 -0.266 0.000 1.883 124 A HA -0.282 4.038 4.320 0.000 0.000 0.217 124 A C 2.172 179.609 177.584 -0.246 0.000 1.186 124 A CA 2.056 53.885 52.037 -0.347 0.000 0.624 124 A CB -1.065 17.857 19.000 -0.130 0.000 0.822 124 A HN 0.640 nan 8.150 nan 0.000 0.444 125 Q N -0.046 119.676 119.800 -0.130 0.000 2.096 125 Q HA -0.172 4.169 4.340 0.000 0.000 0.204 125 Q C 2.497 178.444 176.000 -0.088 0.000 0.982 125 Q CA 2.050 57.803 55.803 -0.085 0.000 0.850 125 Q CB -0.298 28.415 28.738 -0.041 0.000 0.901 125 Q HN 0.893 nan 8.270 nan 0.000 0.422 126 S N -0.345 115.295 115.700 -0.100 0.000 2.382 126 S HA -0.176 4.294 4.470 0.000 0.000 0.228 126 S C 2.166 176.718 174.600 -0.080 0.000 1.027 126 S CA 1.163 59.326 58.200 -0.062 0.000 0.991 126 S CB -0.745 62.445 63.200 -0.017 0.000 0.823 126 S HN 0.434 nan 8.310 nan 0.000 0.469 127 C N 1.210 120.384 119.300 -0.209 0.000 2.429 127 C HA 0.032 4.493 4.460 0.000 0.000 0.277 127 C C 2.809 177.828 174.990 0.048 0.000 1.262 127 C CA 0.774 59.738 59.018 -0.089 0.000 1.733 127 C CB -1.380 26.161 27.740 -0.331 0.000 2.010 127 C HN 0.557 nan 8.230 nan 0.000 0.483 128 V N 0.597 120.481 119.914 -0.050 0.000 2.548 128 V HA -0.151 3.970 4.120 0.000 0.000 0.249 128 V C 2.575 178.651 176.094 -0.031 0.000 1.055 128 V CA 1.574 63.845 62.300 -0.049 0.000 1.065 128 V CB -0.694 31.075 31.823 -0.090 0.000 0.681 128 V HN 0.484 nan 8.190 nan 0.000 0.462 129 R N -0.281 120.208 120.500 -0.019 0.000 2.075 129 R HA -0.073 4.268 4.340 0.000 0.000 0.232 129 R C 2.277 178.599 176.300 0.036 0.000 1.126 129 R CA 1.346 57.444 56.100 -0.004 0.000 0.963 129 R CB -0.300 30.002 30.300 0.002 0.000 0.858 129 R HN 0.363 nan 8.270 nan 0.000 0.435 130 I N 0.938 121.544 120.570 0.061 0.000 2.252 130 I HA -0.281 3.889 4.170 0.000 0.000 0.245 130 I C 2.523 178.712 176.117 0.120 0.000 1.102 130 I CA 1.259 62.630 61.300 0.118 0.000 1.385 130 I CB -0.759 37.178 38.000 -0.106 0.000 1.064 130 I HN 0.281 nan 8.210 nan 0.000 0.414 131 M N 0.499 120.145 119.600 0.077 0.000 2.065 131 M HA -0.259 4.221 4.480 0.000 0.000 0.259 131 M C 2.224 178.597 176.300 0.121 0.000 1.069 131 M CA 1.902 57.336 55.300 0.222 0.000 1.110 131 M CB -0.118 32.628 32.600 0.243 0.000 1.328 131 M HN 0.008 nan 8.290 nan 0.000 0.405 132 K N 0.151 120.555 120.400 0.006 0.000 2.062 132 K HA -0.131 4.189 4.320 0.000 0.000 0.205 132 K C 1.694 178.257 176.600 -0.062 0.000 1.051 132 K CA 1.349 57.613 56.287 -0.039 0.000 0.941 132 K CB -0.898 31.561 32.500 -0.069 0.000 0.719 132 K HN 0.424 nan 8.250 nan 0.000 0.440 133 D N -0.026 120.333 120.400 -0.070 0.000 2.123 133 D HA -0.170 4.471 4.640 0.000 0.000 0.196 133 D C 1.412 177.460 176.300 -0.421 0.000 0.992 133 D CA 1.321 55.179 54.000 -0.235 0.000 0.833 133 D CB 0.040 40.687 40.800 -0.256 0.000 0.954 133 D HN 0.220 nan 8.370 nan 0.000 0.455 134 Y N -1.131 119.079 120.300 -0.150 0.000 2.482 134 Y HA 0.312 4.862 4.550 0.000 0.000 0.270 134 Y C 1.773 177.391 175.900 -0.471 0.000 1.152 134 Y CA 0.477 58.387 58.100 -0.317 0.000 1.292 134 Y CB 0.714 38.962 38.460 -0.353 0.000 1.070 134 Y HN 0.100 nan 8.280 nan 0.000 0.528 135 G N -0.445 108.233 108.800 -0.204 0.000 2.130 135 G HA2 -0.261 3.699 3.960 0.000 0.000 0.216 135 G HA3 -0.261 3.699 3.960 0.000 0.000 0.216 135 G C -0.175 174.667 174.900 -0.096 0.000 0.999 135 G CA -0.571 44.437 45.100 -0.154 0.000 0.686 135 G HN 0.110 nan 8.290 nan 0.000 0.515 136 F N 0.528 120.542 119.950 0.106 0.000 2.403 136 F HA 0.457 4.985 4.527 0.000 0.000 0.320 136 F C 1.382 177.319 175.800 0.228 0.000 1.176 136 F CA -0.402 57.704 58.000 0.176 0.000 1.206 136 F CB 0.682 39.849 39.000 0.279 0.000 1.235 136 F HN -0.022 nan 8.300 nan 0.000 0.565 137 D N 0.092 120.789 120.400 0.494 0.000 2.379 137 D HA 0.271 4.911 4.640 0.000 0.000 0.208 137 D C 0.714 177.278 176.300 0.439 0.000 1.065 137 D CA 0.502 54.761 54.000 0.432 0.000 0.848 137 D CB 0.812 41.771 40.800 0.265 0.000 0.949 137 D HN 0.610 nan 8.370 nan 0.000 0.509 138 G N -0.430 108.583 108.800 0.355 0.000 2.441 138 G HA2 0.393 4.353 3.960 0.000 0.000 0.294 138 G HA3 0.393 4.353 3.960 0.000 0.000 0.294 138 G C -1.840 173.053 174.900 -0.012 0.000 1.393 138 G CA -0.541 44.683 45.100 0.206 0.000 0.796 138 G HN -0.079 nan 8.290 nan 0.000 0.494 139 V N 0.524 120.335 119.914 -0.171 0.000 2.540 139 V HA 0.629 4.749 4.120 0.000 0.000 0.302 139 V C -1.041 174.853 176.094 -0.333 0.000 1.035 139 V CA -0.490 61.494 62.300 -0.526 0.000 0.873 139 V CB 1.780 33.356 31.823 -0.411 0.000 0.992 139 V HN 0.861 nan 8.190 nan 0.000 0.428 140 D N 3.900 124.066 120.400 -0.390 0.000 2.502 140 D HA 0.528 5.168 4.640 0.000 0.000 0.249 140 D C -0.971 175.312 176.300 -0.029 0.000 1.092 140 D CA -0.395 53.528 54.000 -0.129 0.000 0.839 140 D CB 1.251 42.003 40.800 -0.079 0.000 1.264 140 D HN 0.238 nan 8.370 nan 0.000 0.511 141 I N 3.288 123.914 120.570 0.094 0.000 2.354 141 I HA 0.248 4.418 4.170 0.000 0.000 0.292 141 I C -0.175 176.107 176.117 0.275 0.000 0.989 141 I CA -0.581 60.858 61.300 0.232 0.000 1.188 141 I CB 1.388 39.586 38.000 0.329 0.000 1.342 141 I HN 0.476 nan 8.210 nan 0.000 0.457 142 D N 6.968 127.532 120.400 0.273 0.000 2.634 142 D HA 0.062 4.702 4.640 0.000 0.000 0.318 142 D C -0.986 175.315 176.300 0.001 0.000 1.226 142 D CA -0.309 53.789 54.000 0.163 0.000 0.899 142 D CB 0.314 41.259 40.800 0.241 0.000 1.025 142 D HN 0.340 nan 8.370 nan 0.000 0.501 143 W N 2.620 123.790 121.300 -0.218 0.000 2.332 143 W HA 0.374 5.034 4.660 0.001 0.000 0.306 143 W C -0.677 175.442 176.519 -0.667 0.000 1.149 143 W CA -0.915 56.149 57.345 -0.468 0.000 1.271 143 W CB 0.484 29.738 29.460 -0.343 0.000 1.243 143 W HN 0.180 nan 8.180 nan 0.000 0.459 144 E N 6.682 126.601 120.200 -0.468 0.000 2.546 144 E HA 0.233 4.584 4.350 0.000 0.000 0.227 144 E C -1.548 174.681 176.600 -0.618 0.000 1.009 144 E CA -0.311 55.262 56.400 -1.378 0.000 0.813 144 E CB 0.778 29.766 29.700 -1.187 0.000 1.269 144 E HN 0.266 nan 8.360 nan 0.000 0.432 145 Y N 0.486 120.726 120.300 -0.100 0.000 2.592 145 Y HA 0.271 4.821 4.550 0.000 0.000 0.334 145 Y C -2.444 173.001 175.900 -0.759 0.000 1.136 145 Y CA -2.533 55.315 58.100 -0.420 0.000 1.042 145 Y CB 1.563 39.936 38.460 -0.145 0.000 1.325 145 Y HN 0.235 nan 8.280 nan 0.000 0.457 146 P HA 0.142 nan 4.420 nan 0.000 0.272 146 P C -1.361 175.670 177.300 -0.448 0.000 1.223 146 P CA -0.077 62.185 63.100 -1.397 0.000 0.784 146 P CB 1.611 32.017 31.700 -2.156 0.000 0.923 147 Q N 1.132 120.813 119.800 -0.198 0.000 2.693 147 Q HA 0.637 4.977 4.340 0.000 0.000 0.306 147 Q C -0.083 175.908 176.000 -0.015 0.000 0.969 147 Q CA -0.859 54.917 55.803 -0.044 0.000 0.757 147 Q CB 0.935 29.689 28.738 0.026 0.000 1.494 147 Q HN 0.428 nan 8.270 nan 0.000 0.459 148 A N 0.757 123.579 122.820 0.004 0.000 5.395 148 A HA -0.353 3.967 4.320 0.000 0.000 0.332 148 A C 1.517 179.111 177.584 0.018 0.000 1.754 148 A CA 2.633 54.677 52.037 0.013 0.000 0.716 148 A CB -2.216 16.799 19.000 0.024 0.000 1.411 148 A HN 1.816 nan 8.150 nan 0.000 0.398 149 A N -1.038 121.800 122.820 0.030 0.000 2.216 149 A HA 0.131 4.452 4.320 0.000 0.000 0.214 149 A C 1.592 179.205 177.584 0.049 0.000 1.160 149 A CA 1.962 54.021 52.037 0.038 0.000 0.725 149 A CB -0.720 18.304 19.000 0.040 0.000 0.784 149 A HN 0.735 nan 8.150 nan 0.000 0.472 150 E N -0.593 119.634 120.200 0.045 0.000 2.299 150 E HA -0.026 4.324 4.350 0.000 0.000 0.193 150 E C 1.735 178.352 176.600 0.029 0.000 0.998 150 E CA 0.672 57.109 56.400 0.063 0.000 0.851 150 E CB -0.094 29.650 29.700 0.073 0.000 0.795 150 E HN 0.395 nan 8.360 nan 0.000 0.492 151 V N 2.052 121.961 119.914 -0.008 0.000 2.287 151 V HA -0.293 3.827 4.120 0.000 0.000 0.248 151 V C 1.639 177.806 176.094 0.121 0.000 1.053 151 V CA 2.074 64.397 62.300 0.038 0.000 1.027 151 V CB -0.455 31.395 31.823 0.045 0.000 0.646 151 V HN 0.220 nan 8.190 nan 0.000 0.447 152 D N 0.690 121.140 120.400 0.083 0.000 2.123 152 D HA -0.123 4.518 4.640 0.000 0.000 0.196 152 D C 2.217 178.572 176.300 0.093 0.000 0.992 152 D CA 1.703 55.748 54.000 0.075 0.000 0.833 152 D CB -0.674 40.158 40.800 0.054 0.000 0.954 152 D HN 0.476 nan 8.370 nan 0.000 0.455 153 G N -0.048 108.822 108.800 0.116 0.000 2.418 153 G HA2 -0.272 3.688 3.960 0.000 0.000 0.217 153 G HA3 -0.272 3.688 3.960 0.000 0.000 0.217 153 G C 1.491 176.508 174.900 0.195 0.000 1.158 153 G CA 0.374 45.555 45.100 0.135 0.000 0.771 153 G HN 0.236 nan 8.290 nan 0.000 0.545 154 F N 1.571 121.550 119.950 0.048 0.000 2.095 154 F HA -0.053 4.474 4.527 0.000 0.000 0.298 154 F C 2.456 178.277 175.800 0.035 0.000 1.104 154 F CA 1.188 59.218 58.000 0.051 0.000 1.232 154 F CB -0.386 38.542 39.000 -0.121 0.000 0.987 154 F HN 0.114 nan 8.300 nan 0.000 0.475 155 I N 0.404 120.971 120.570 -0.006 0.000 2.163 155 I HA -0.357 3.814 4.170 0.000 0.000 0.243 155 I C 2.709 178.772 176.117 -0.089 0.000 1.085 155 I CA 1.532 62.760 61.300 -0.120 0.000 1.347 155 I CB -0.996 36.995 38.000 -0.014 0.000 1.044 155 I HN 0.252 nan 8.210 nan 0.000 0.408 156 A N 0.476 123.290 122.820 -0.010 0.000 1.933 156 A HA -0.170 4.150 4.320 0.000 0.000 0.218 156 A C 2.512 180.100 177.584 0.007 0.000 1.175 156 A CA 1.876 53.916 52.037 0.004 0.000 0.628 156 A CB -0.865 18.154 19.000 0.033 0.000 0.814 156 A HN 0.454 nan 8.150 nan 0.000 0.444 157 A N -0.311 122.528 122.820 0.032 0.000 1.930 157 A HA -0.002 4.318 4.320 0.000 0.000 0.217 157 A C 2.150 179.738 177.584 0.006 0.000 1.175 157 A CA 1.421 53.510 52.037 0.087 0.000 0.627 157 A CB -0.547 18.583 19.000 0.217 0.000 0.815 157 A HN 0.471 nan 8.150 nan 0.000 0.443 158 L N -0.884 120.265 121.223 -0.125 0.000 2.056 158 L HA -0.249 4.092 4.340 0.000 0.000 0.207 158 L C 2.878 179.688 176.870 -0.101 0.000 1.078 158 L CA 1.539 56.278 54.840 -0.169 0.000 0.749 158 L CB -0.597 41.262 42.059 -0.334 0.000 0.901 158 L HN 0.476 nan 8.230 nan 0.000 0.433 159 Q N -0.405 119.346 119.800 -0.082 0.000 2.084 159 Q HA -0.261 4.079 4.340 0.000 0.000 0.202 159 Q C 2.116 178.095 176.000 -0.034 0.000 0.978 159 Q CA 1.605 57.377 55.803 -0.051 0.000 0.844 159 Q CB -0.095 28.622 28.738 -0.036 0.000 0.898 159 Q HN 0.308 nan 8.270 nan 0.000 0.426 160 E N 1.105 121.291 120.200 -0.023 0.000 2.077 160 E HA -0.143 4.207 4.350 0.000 0.000 0.193 160 E C 1.672 178.250 176.600 -0.035 0.000 0.989 160 E CA 1.072 57.462 56.400 -0.016 0.000 0.800 160 E CB -0.167 29.536 29.700 0.005 0.000 0.746 160 E HN 0.336 nan 8.360 nan 0.000 0.452 161 I N 0.220 120.758 120.570 -0.052 0.000 2.226 161 I HA -0.274 3.896 4.170 0.000 0.000 0.245 161 I C 2.483 178.569 176.117 -0.053 0.000 1.100 161 I CA 1.131 62.383 61.300 -0.079 0.000 1.374 161 I CB -0.270 37.666 38.000 -0.106 0.000 1.057 161 I HN 0.088 nan 8.210 nan 0.000 0.413 162 R N 1.199 121.673 120.500 -0.044 0.000 2.080 162 R HA -0.160 4.180 4.340 0.000 0.000 0.236 162 R C 2.168 178.460 176.300 -0.013 0.000 1.137 162 R CA 2.540 58.624 56.100 -0.027 0.000 0.943 162 R CB -1.332 28.947 30.300 -0.035 0.000 0.846 162 R HN 0.201 nan 8.270 nan 0.000 0.431 163 T N 1.647 116.192 114.554 -0.016 0.000 2.665 163 T HA -0.127 4.223 4.350 0.000 0.000 0.268 163 T C 1.780 176.478 174.700 -0.003 0.000 1.035 163 T CA 1.794 63.890 62.100 -0.008 0.000 1.151 163 T CB -0.270 68.592 68.868 -0.009 0.000 0.862 163 T HN 0.169 nan 8.240 nan 0.000 0.438 164 L N 0.241 121.455 121.223 -0.016 0.000 2.083 164 L HA -0.035 4.305 4.340 0.000 0.000 0.209 164 L C 2.498 179.366 176.870 -0.005 0.000 1.083 164 L CA 1.078 55.907 54.840 -0.018 0.000 0.752 164 L CB -0.611 41.422 42.059 -0.043 0.000 0.899 164 L HN 0.273 nan 8.230 nan 0.000 0.433 165 L N -0.472 120.753 121.223 0.004 0.000 2.093 165 L HA -0.176 4.165 4.340 0.000 0.000 0.208 165 L C 2.302 179.246 176.870 0.124 0.000 1.085 165 L CA 0.894 55.767 54.840 0.056 0.000 0.755 165 L CB -0.602 41.501 42.059 0.073 0.000 0.904 165 L HN 0.319 nan 8.230 nan 0.000 0.435 166 N N -0.091 118.653 118.700 0.073 0.000 2.166 166 N HA -0.228 4.512 4.740 0.000 0.000 0.186 166 N C 1.857 177.409 175.510 0.070 0.000 1.019 166 N CA 1.073 54.164 53.050 0.068 0.000 0.856 166 N CB -0.219 38.287 38.487 0.032 0.000 0.993 166 N HN 0.272 nan 8.380 nan 0.000 0.426 167 Q N 0.736 120.569 119.800 0.054 0.000 2.123 167 Q HA -0.066 4.274 4.340 0.000 0.000 0.199 167 Q C 1.873 177.918 176.000 0.075 0.000 0.966 167 Q CA 1.348 57.179 55.803 0.047 0.000 0.845 167 Q CB -0.280 28.473 28.738 0.025 0.000 0.907 167 Q HN 0.196 nan 8.270 nan 0.000 0.439 168 Q N -0.638 119.221 119.800 0.098 0.000 2.119 168 Q HA -0.075 4.265 4.340 0.000 0.000 0.201 168 Q C 1.818 178.005 176.000 0.311 0.000 0.972 168 Q CA 2.140 58.027 55.803 0.140 0.000 0.847 168 Q CB -0.565 28.178 28.738 0.008 0.000 0.903 168 Q HN 0.465 nan 8.270 nan 0.000 0.433 169 T N 0.483 115.240 114.554 0.339 0.000 2.684 169 T HA -0.134 4.216 4.350 0.000 0.000 0.267 169 T C 1.690 176.434 174.700 0.073 0.000 1.036 169 T CA 1.582 63.784 62.100 0.169 0.000 1.148 169 T CB -0.262 68.641 68.868 0.058 0.000 0.863 169 T HN 0.274 nan 8.240 nan 0.000 0.436 170 I N 0.831 121.441 120.570 0.067 0.000 2.179 170 I HA -0.174 3.996 4.170 0.000 0.000 0.242 170 I C 2.749 178.891 176.117 0.042 0.000 1.088 170 I CA 1.146 62.468 61.300 0.036 0.000 1.357 170 I CB -0.713 37.304 38.000 0.029 0.000 1.051 170 I HN 0.236 nan 8.210 nan 0.000 0.409 171 T N 0.151 114.741 114.554 0.060 0.000 2.720 171 T HA -0.187 4.163 4.350 0.000 0.000 0.268 171 T C 1.231 175.967 174.700 0.059 0.000 1.037 171 T CA 1.589 63.720 62.100 0.052 0.000 1.144 171 T CB -0.268 68.632 68.868 0.053 0.000 0.864 171 T HN 0.280 nan 8.240 nan 0.000 0.444 172 D N 0.181 120.639 120.400 0.098 0.000 2.340 172 D HA 0.234 4.875 4.640 0.000 0.000 0.220 172 D C 1.388 177.708 176.300 0.034 0.000 1.039 172 D CA 0.367 54.421 54.000 0.091 0.000 0.866 172 D CB -0.418 40.497 40.800 0.192 0.000 0.913 172 D HN 0.454 nan 8.370 nan 0.000 0.523 173 G N 1.768 110.577 108.800 0.016 0.000 2.305 173 G HA2 -0.338 3.623 3.960 0.000 0.000 0.287 173 G HA3 -0.338 3.623 3.960 0.000 0.000 0.287 173 G C 0.835 175.708 174.900 -0.044 0.000 1.036 173 G CA -0.156 44.938 45.100 -0.011 0.000 0.887 173 G HN 0.210 nan 8.290 nan 0.000 0.505 174 R N -0.696 119.754 120.500 -0.084 0.000 2.568 174 R HA 0.154 4.494 4.340 0.000 0.000 0.288 174 R C 2.008 178.214 176.300 -0.157 0.000 1.077 174 R CA 0.165 56.160 56.100 -0.176 0.000 1.102 174 R CB 0.141 30.194 30.300 -0.412 0.000 1.278 174 R HN 0.577 nan 8.270 nan 0.000 0.560 175 Q N 0.259 120.005 119.800 -0.089 0.000 2.197 175 Q HA -0.108 4.233 4.340 0.000 0.000 0.207 175 Q C 1.930 177.890 176.000 -0.067 0.000 0.984 175 Q CA 2.076 57.839 55.803 -0.067 0.000 0.869 175 Q CB -0.155 28.559 28.738 -0.039 0.000 0.906 175 Q HN 0.329 nan 8.270 nan 0.000 0.426 176 A N -0.698 122.082 122.820 -0.067 0.000 2.066 176 A HA 0.069 4.389 4.320 0.000 0.000 0.218 176 A C 0.808 178.352 177.584 -0.067 0.000 1.157 176 A CA 0.590 52.594 52.037 -0.055 0.000 0.670 176 A CB 0.275 19.248 19.000 -0.045 0.000 0.804 176 A HN 0.283 nan 8.150 nan 0.000 0.453 177 L N -0.012 121.147 121.223 -0.106 0.000 2.435 177 L HA 0.372 4.712 4.340 0.000 0.000 0.259 177 L C -2.958 173.792 176.870 -0.200 0.000 1.563 177 L CA -1.773 52.997 54.840 -0.117 0.000 0.789 177 L CB 1.394 43.390 42.059 -0.104 0.000 0.989 177 L HN -0.145 nan 8.230 nan 0.000 0.522 178 P HA 0.025 nan 4.420 nan 0.000 0.265 178 P C -0.919 176.289 177.300 -0.153 0.000 1.187 178 P CA 0.317 63.302 63.100 -0.190 0.000 0.766 178 P CB 0.099 31.757 31.700 -0.070 0.000 0.820 179 Y N 1.151 121.473 120.300 0.036 0.000 2.702 179 Y HA 0.083 4.633 4.550 0.001 0.000 0.336 179 Y C 1.434 177.358 175.900 0.041 0.000 1.235 179 Y CA 0.875 59.006 58.100 0.051 0.000 1.492 179 Y CB 0.011 38.501 38.460 0.050 0.000 1.308 179 Y HN 0.363 nan 8.280 nan 0.000 0.589 180 Q N 1.537 121.469 119.800 0.219 0.000 2.416 180 Q HA 0.687 5.027 4.340 0.000 0.000 0.279 180 Q C -1.712 174.335 176.000 0.078 0.000 1.101 180 Q CA -1.400 54.481 55.803 0.129 0.000 0.830 180 Q CB 2.786 31.622 28.738 0.164 0.000 1.402 180 Q HN 0.536 nan 8.270 nan 0.000 0.445 181 L N 0.700 121.939 121.223 0.027 0.000 2.409 181 L HA 0.638 4.978 4.340 0.000 0.000 0.272 181 L C -1.114 175.750 176.870 -0.010 0.000 0.980 181 L CA 0.096 54.927 54.840 -0.015 0.000 0.826 181 L CB 2.089 44.126 42.059 -0.036 0.000 1.268 181 L HN 0.816 nan 8.230 nan 0.000 0.407 182 T N 2.638 117.191 114.554 -0.002 0.000 2.838 182 T HA 0.831 5.181 4.350 0.000 0.000 0.292 182 T C -0.374 174.358 174.700 0.053 0.000 1.113 182 T CA -0.585 61.538 62.100 0.039 0.000 1.008 182 T CB 1.564 70.473 68.868 0.069 0.000 1.259 182 T HN 0.860 nan 8.240 nan 0.000 0.520 183 I N -1.869 118.761 120.570 0.101 0.000 2.969 183 I HA 0.895 5.066 4.170 0.000 0.000 0.307 183 I C -0.708 175.518 176.117 0.182 0.000 1.149 183 I CA -1.859 59.534 61.300 0.155 0.000 1.008 183 I CB 1.897 40.014 38.000 0.196 0.000 1.232 183 I HN 0.938 nan 8.210 nan 0.000 0.435 184 A N 2.716 125.664 122.820 0.213 0.000 2.289 184 A HA 0.810 5.131 4.320 0.000 0.000 0.298 184 A C 0.130 177.842 177.584 0.212 0.000 1.208 184 A CA -0.078 52.090 52.037 0.218 0.000 0.845 184 A CB 0.413 19.550 19.000 0.228 0.000 1.125 184 A HN 1.103 nan 8.150 nan 0.000 0.517 185 G N 0.448 109.386 108.800 0.229 0.000 2.489 185 G HA2 0.644 4.605 3.960 0.000 0.000 0.327 185 G HA3 0.644 4.605 3.960 0.000 0.000 0.327 185 G C 0.142 175.258 174.900 0.361 0.000 1.189 185 G CA -0.086 45.218 45.100 0.340 0.000 0.962 185 G HN 1.384 nan 8.290 nan 0.000 0.486 186 A N -0.618 122.459 122.820 0.428 0.000 2.498 186 A HA 0.517 4.838 4.320 0.000 0.000 0.239 186 A C 1.307 178.955 177.584 0.108 0.000 1.068 186 A CA 0.575 52.678 52.037 0.111 0.000 0.766 186 A CB 0.450 19.275 19.000 -0.292 0.000 1.003 186 A HN 1.502 nan 8.150 nan 0.000 0.497 187 G N 1.014 109.829 108.800 0.025 0.000 3.453 187 G HA2 0.479 4.440 3.960 0.000 0.000 0.263 187 G HA3 0.479 4.440 3.960 0.000 0.000 0.263 187 G C 0.380 175.282 174.900 0.003 0.000 1.060 187 G CA 0.585 45.679 45.100 -0.010 0.000 0.793 187 G HN 1.284 nan 8.290 nan 0.000 0.532 188 G N -1.359 107.446 108.800 0.008 0.000 2.682 188 G HA2 0.542 4.502 3.960 0.000 0.000 0.300 188 G HA3 0.542 4.502 3.960 0.000 0.000 0.300 188 G C 0.706 175.543 174.900 -0.106 0.000 1.391 188 G CA 0.326 45.424 45.100 -0.003 0.000 0.990 188 G HN 0.323 nan 8.290 nan 0.000 0.501 189 A N 1.142 123.837 122.820 -0.209 0.000 1.978 189 A HA 0.042 4.362 4.320 0.000 0.000 0.220 189 A C 1.904 179.198 177.584 -0.482 0.000 1.170 189 A CA 1.674 53.447 52.037 -0.441 0.000 0.636 189 A CB -0.541 18.131 19.000 -0.547 0.000 0.810 189 A HN 0.609 nan 8.150 nan 0.000 0.448 190 F N -1.302 118.517 119.950 -0.219 0.000 2.075 190 F HA -0.105 4.423 4.527 0.001 0.000 0.297 190 F C 2.052 177.617 175.800 -0.391 0.000 1.113 190 F CA 1.517 59.323 58.000 -0.323 0.000 1.218 190 F CB -0.921 37.836 39.000 -0.406 0.000 0.984 190 F HN 0.217 nan 8.300 nan 0.000 0.472 191 F N -0.713 119.158 119.950 -0.132 0.000 2.259 191 F HA -0.079 4.448 4.527 0.000 0.000 0.298 191 F C 2.197 177.678 175.800 -0.531 0.000 1.088 191 F CA 0.498 58.273 58.000 -0.374 0.000 1.358 191 F CB -0.999 37.570 39.000 -0.718 0.000 1.040 191 F HN -0.104 nan 8.300 nan 0.000 0.505 192 L N 0.454 121.466 121.223 -0.353 0.000 2.079 192 L HA -0.214 4.126 4.340 0.000 0.000 0.210 192 L C 2.576 179.062 176.870 -0.641 0.000 1.081 192 L CA 2.060 56.545 54.840 -0.591 0.000 0.752 192 L CB -1.177 40.603 42.059 -0.465 0.000 0.896 192 L HN 0.206 nan 8.230 nan 0.000 0.433 193 S N -1.033 114.379 115.700 -0.479 0.000 2.440 193 S HA -0.234 4.236 4.470 0.000 0.000 0.238 193 S C 2.054 176.489 174.600 -0.274 0.000 1.010 193 S CA 0.967 58.925 58.200 -0.403 0.000 0.972 193 S CB -0.672 62.316 63.200 -0.353 0.000 0.774 193 S HN 0.567 nan 8.310 nan 0.000 0.501 194 R N 0.334 120.690 120.500 -0.241 0.000 2.096 194 R HA -0.091 4.249 4.340 0.000 0.000 0.235 194 R C 1.727 178.013 176.300 -0.022 0.000 1.127 194 R CA 1.920 57.969 56.100 -0.085 0.000 0.968 194 R CB -0.372 29.955 30.300 0.045 0.000 0.861 194 R HN 0.915 nan 8.270 nan 0.000 0.440 195 Y N -5.239 115.018 120.300 -0.073 0.000 2.563 195 Y HA 0.226 4.776 4.550 0.000 0.000 0.250 195 Y C 1.391 177.278 175.900 -0.021 0.000 1.126 195 Y CA -1.197 56.869 58.100 -0.057 0.000 1.231 195 Y CB -0.667 37.748 38.460 -0.076 0.000 1.288 195 Y HN -0.130 nan 8.280 nan 0.000 0.537 196 Y N 2.897 122.933 120.300 -0.440 0.000 2.096 196 Y HA -0.370 4.180 4.550 0.000 0.000 0.278 196 Y C 2.751 178.542 175.900 -0.182 0.000 1.192 196 Y CA 2.704 60.582 58.100 -0.370 0.000 1.143 196 Y CB -0.591 37.596 38.460 -0.454 0.000 0.963 196 Y HN 0.370 nan 8.280 nan 0.000 0.505 197 S N -0.606 114.997 115.700 -0.161 0.000 2.420 197 S HA -0.222 4.248 4.470 0.000 0.000 0.237 197 S C 1.451 175.958 174.600 -0.156 0.000 1.023 197 S CA 1.663 59.731 58.200 -0.219 0.000 0.991 197 S CB -0.462 62.648 63.200 -0.149 0.000 0.792 197 S HN 0.584 nan 8.310 nan 0.000 0.488 198 K N 0.452 120.813 120.400 -0.064 0.000 2.498 198 K HA 0.426 4.746 4.320 0.000 0.000 0.207 198 K C 1.047 177.662 176.600 0.025 0.000 1.033 198 K CA -0.217 56.067 56.287 -0.005 0.000 1.138 198 K CB 0.046 32.573 32.500 0.045 0.000 0.860 198 K HN 0.277 nan 8.250 nan 0.000 0.490 199 L N 0.700 121.903 121.223 -0.033 0.000 2.043 199 L HA -0.277 4.064 4.340 0.000 0.000 0.212 199 L C 2.431 179.324 176.870 0.037 0.000 1.075 199 L CA 1.573 56.432 54.840 0.032 0.000 0.752 199 L CB -0.411 41.594 42.059 -0.089 0.000 0.891 199 L HN 0.345 nan 8.230 nan 0.000 0.432 200 A N -0.753 122.066 122.820 -0.003 0.000 1.908 200 A HA -0.271 4.049 4.320 0.000 0.000 0.218 200 A C 2.142 179.735 177.584 0.016 0.000 1.181 200 A CA 1.677 53.722 52.037 0.013 0.000 0.627 200 A CB -0.438 18.566 19.000 0.006 0.000 0.818 200 A HN 0.518 nan 8.150 nan 0.000 0.445 201 Q N -0.767 119.041 119.800 0.014 0.000 2.119 201 Q HA -0.037 4.304 4.340 0.000 0.000 0.201 201 Q C 1.996 177.991 176.000 -0.007 0.000 0.972 201 Q CA 1.304 57.111 55.803 0.005 0.000 0.847 201 Q CB -0.246 28.498 28.738 0.011 0.000 0.903 201 Q HN 0.746 nan 8.270 nan 0.000 0.433 202 I N -0.209 120.371 120.570 0.016 0.000 2.252 202 I HA -0.220 3.950 4.170 0.000 0.000 0.245 202 I C 1.974 178.081 176.117 -0.018 0.000 1.102 202 I CA 0.818 62.112 61.300 -0.009 0.000 1.385 202 I CB 0.004 38.055 38.000 0.084 0.000 1.064 202 I HN 0.020 nan 8.210 nan 0.000 0.414 203 V N 0.721 120.652 119.914 0.028 0.000 2.871 203 V HA -0.099 4.022 4.120 0.000 0.000 0.256 203 V C 2.584 178.674 176.094 -0.007 0.000 1.082 203 V CA 1.267 63.584 62.300 0.029 0.000 1.105 203 V CB -0.590 31.276 31.823 0.072 0.000 0.713 203 V HN 0.428 nan 8.190 nan 0.000 0.473 204 A N 1.643 124.455 122.820 -0.014 0.000 1.892 204 A HA -0.141 4.179 4.320 0.000 0.000 0.218 204 A C 0.696 178.256 177.584 -0.040 0.000 1.188 204 A CA 2.241 54.264 52.037 -0.023 0.000 0.631 204 A CB -1.760 17.229 19.000 -0.018 0.000 0.822 204 A HN 0.597 nan 8.150 nan 0.000 0.447 205 P HA 0.170 nan 4.420 nan 0.000 0.249 205 P C -0.043 177.217 177.300 -0.066 0.000 1.229 205 P CA 0.331 63.395 63.100 -0.059 0.000 0.788 205 P CB -0.073 31.583 31.700 -0.073 0.000 1.072 206 L N -0.028 121.156 121.223 -0.066 0.000 2.360 206 L HA 0.302 4.643 4.340 0.000 0.000 0.271 206 L C 1.449 178.240 176.870 -0.133 0.000 1.057 206 L CA -0.631 54.164 54.840 -0.074 0.000 0.803 206 L CB 0.875 42.910 42.059 -0.040 0.000 1.207 206 L HN -0.261 nan 8.230 nan 0.000 0.445 207 D N 0.358 120.643 120.400 -0.193 0.000 2.162 207 D HA -0.007 4.633 4.640 0.000 0.000 0.205 207 D C -0.542 175.299 176.300 -0.764 0.000 0.964 207 D CA 1.706 55.434 54.000 -0.453 0.000 0.847 207 D CB 0.411 40.970 40.800 -0.401 0.000 0.988 207 D HN 0.293 nan 8.370 nan 0.000 0.480 208 Y N -0.858 119.427 120.300 -0.025 0.000 2.581 208 Y HA 0.425 4.975 4.550 0.000 0.000 0.337 208 Y C -0.692 175.204 175.900 -0.007 0.000 1.108 208 Y CA -0.974 57.109 58.100 -0.029 0.000 1.033 208 Y CB 2.006 40.419 38.460 -0.077 0.000 1.318 208 Y HN -0.288 nan 8.280 nan 0.000 0.459 209 I N 2.989 123.673 120.570 0.190 0.000 2.410 209 I HA 0.470 4.640 4.170 0.000 0.000 0.286 209 I C -1.365 174.821 176.117 0.115 0.000 1.009 209 I CA -0.634 60.752 61.300 0.144 0.000 1.111 209 I CB 0.607 38.695 38.000 0.146 0.000 1.262 209 I HN 0.580 nan 8.210 nan 0.000 0.443 210 N N 8.833 127.604 118.700 0.117 0.000 2.437 210 N HA 0.330 5.070 4.740 0.000 0.000 0.243 210 N C -0.706 174.857 175.510 0.089 0.000 1.041 210 N CA -0.258 52.849 53.050 0.094 0.000 0.940 210 N CB 1.539 40.100 38.487 0.123 0.000 1.133 210 N HN 0.577 nan 8.380 nan 0.000 0.506 211 L N 2.233 123.469 121.223 0.021 0.000 2.410 211 L HA 0.215 4.555 4.340 0.000 0.000 0.273 211 L C 1.100 177.917 176.870 -0.089 0.000 1.144 211 L CA 0.086 54.908 54.840 -0.030 0.000 0.863 211 L CB 0.304 42.295 42.059 -0.112 0.000 1.140 211 L HN 0.358 nan 8.230 nan 0.000 0.463 212 M N 3.417 122.921 119.600 -0.160 0.000 3.596 212 M HA 0.051 4.531 4.480 0.000 0.000 0.219 212 M C 0.398 176.263 176.300 -0.725 0.000 1.471 212 M CA -0.144 54.807 55.300 -0.582 0.000 1.644 212 M CB -0.495 31.880 32.600 -0.376 0.000 1.083 212 M HN 0.545 nan 8.290 nan 0.000 0.579 213 T N -0.063 114.190 114.554 -0.501 0.000 4.309 213 T HA 0.286 4.637 4.350 0.000 0.000 0.242 213 T C -0.539 174.112 174.700 -0.081 0.000 1.142 213 T CA -0.247 61.722 62.100 -0.219 0.000 1.042 213 T CB -1.087 67.737 68.868 -0.074 0.000 1.366 213 T HN 0.519 nan 8.240 nan 0.000 0.942 214 Y N -2.916 117.459 120.300 0.125 0.000 2.871 214 Y HA 0.530 5.080 4.550 0.000 0.000 0.331 214 Y C -0.332 175.683 175.900 0.191 0.000 1.378 214 Y CA -1.936 56.251 58.100 0.144 0.000 1.079 214 Y CB -0.144 38.408 38.460 0.153 0.000 1.441 214 Y HN 0.115 nan 8.280 nan 0.000 0.446 215 D N 0.070 120.796 120.400 0.543 0.000 2.911 215 D HA -0.162 4.478 4.640 0.000 0.000 0.227 215 D C 0.412 176.977 176.300 0.442 0.000 1.164 215 D CA 1.216 55.532 54.000 0.527 0.000 0.782 215 D CB -0.937 40.157 40.800 0.490 0.000 1.094 215 D HN 0.716 nan 8.370 nan 0.000 0.425 216 L N -1.477 119.922 121.223 0.293 0.000 2.599 216 L HA 0.323 4.663 4.340 0.000 0.000 0.230 216 L C 1.094 178.060 176.870 0.159 0.000 1.141 216 L CA 0.620 55.569 54.840 0.181 0.000 0.877 216 L CB -0.043 42.066 42.059 0.084 0.000 1.009 216 L HN 0.200 nan 8.230 nan 0.000 0.447 217 A N -0.725 122.217 122.820 0.203 0.000 2.594 217 A HA 0.839 5.159 4.320 0.000 0.000 0.295 217 A C -0.432 177.060 177.584 -0.153 0.000 1.071 217 A CA 0.070 52.152 52.037 0.074 0.000 0.685 217 A CB 1.700 20.776 19.000 0.127 0.000 1.285 217 A HN 0.094 nan 8.150 nan 0.000 0.405 218 G N -0.319 108.152 108.800 -0.547 0.000 2.349 218 G HA2 0.566 4.527 3.960 0.000 0.000 0.294 218 G HA3 0.566 4.527 3.960 0.000 0.000 0.294 218 G C -2.576 171.705 174.900 -1.033 0.000 1.380 218 G CA 0.142 44.532 45.100 -1.184 0.000 0.811 218 G HN 0.480 nan 8.290 nan 0.000 0.519 219 P HA -0.133 nan 4.420 nan 0.000 0.216 219 P C 1.580 178.856 177.300 -0.039 0.000 1.150 219 P CA 2.225 65.109 63.100 -0.361 0.000 0.843 219 P CB -0.159 31.465 31.700 -0.127 0.000 0.787 220 W N 0.177 121.549 121.300 0.119 0.000 2.632 220 W HA 0.133 4.793 4.660 0.000 0.000 0.248 220 W C 0.235 176.845 176.519 0.152 0.000 1.259 220 W CA -0.059 57.354 57.345 0.112 0.000 1.288 220 W CB -1.019 28.469 29.460 0.048 0.000 1.136 220 W HN -0.172 nan 8.180 nan 0.000 0.640 221 E N 1.314 121.447 120.200 -0.111 0.000 2.212 221 E HA 0.123 4.473 4.350 0.000 0.000 0.270 221 E C 0.930 177.679 176.600 0.249 0.000 0.956 221 E CA -0.458 55.998 56.400 0.094 0.000 0.825 221 E CB 1.765 31.497 29.700 0.054 0.000 1.167 221 E HN 0.167 nan 8.360 nan 0.000 0.400 222 K N -0.606 119.902 120.400 0.180 0.000 2.361 222 K HA 0.125 4.445 4.320 0.000 0.000 0.196 222 K C 0.447 177.138 176.600 0.151 0.000 1.039 222 K CA 0.292 56.662 56.287 0.139 0.000 1.001 222 K CB 0.241 32.749 32.500 0.014 0.000 0.795 222 K HN 0.078 nan 8.250 nan 0.000 0.495 223 V N 2.357 122.325 119.914 0.090 0.000 2.513 223 V HA 0.298 4.418 4.120 0.000 0.000 0.299 223 V C -0.085 175.924 176.094 -0.142 0.000 1.035 223 V CA -0.861 61.432 62.300 -0.012 0.000 0.889 223 V CB 1.500 33.278 31.823 -0.075 0.000 0.988 223 V HN 0.423 nan 8.190 nan 0.000 0.440 224 T N 1.632 115.959 114.554 -0.379 0.000 2.918 224 T HA 0.528 4.878 4.350 0.000 0.000 0.302 224 T C -0.244 174.080 174.700 -0.627 0.000 1.045 224 T CA -0.301 61.255 62.100 -0.906 0.000 1.114 224 T CB 1.104 69.203 68.868 -1.283 0.000 0.965 224 T HN 0.743 nan 8.240 nan 0.000 0.540 225 N N -0.822 117.548 118.700 -0.551 0.000 3.185 225 N HA 0.156 4.897 4.740 0.000 0.000 0.238 225 N C -1.775 173.691 175.510 -0.073 0.000 1.451 225 N CA -0.700 52.228 53.050 -0.202 0.000 0.888 225 N CB 0.948 39.456 38.487 0.034 0.000 1.413 225 N HN 0.705 nan 8.380 nan 0.000 0.511 226 H N 1.322 120.480 119.070 0.147 0.000 2.803 226 H HA 0.077 4.634 4.556 0.001 0.000 0.330 226 H C 0.422 175.816 175.328 0.110 0.000 1.057 226 H CA 0.373 56.489 56.048 0.114 0.000 1.458 226 H CB 1.115 30.892 29.762 0.025 0.000 1.470 226 H HN 0.567 nan 8.280 nan 0.000 0.560 227 Q N 1.904 121.830 119.800 0.210 0.000 2.451 227 Q HA 0.201 4.541 4.340 0.000 0.000 0.206 227 Q C 0.394 176.506 176.000 0.187 0.000 0.947 227 Q CA 0.761 56.686 55.803 0.204 0.000 0.937 227 Q CB 0.717 29.594 28.738 0.231 0.000 1.025 227 Q HN 0.510 nan 8.270 nan 0.000 0.511 228 A N 0.419 123.330 122.820 0.151 0.000 2.897 228 A HA 0.660 4.980 4.320 0.000 0.000 0.230 228 A C -0.042 177.556 177.584 0.023 0.000 0.896 228 A CA -0.228 51.874 52.037 0.108 0.000 1.114 228 A CB 0.158 19.249 19.000 0.152 0.000 1.230 228 A HN 0.362 nan 8.150 nan 0.000 0.481 229 A N 0.014 122.843 122.820 0.014 0.000 2.540 229 A HA 0.391 4.711 4.320 0.000 0.000 0.239 229 A C 1.198 178.685 177.584 -0.162 0.000 1.061 229 A CA 0.259 52.238 52.037 -0.097 0.000 0.758 229 A CB 0.069 19.037 19.000 -0.055 0.000 0.991 229 A HN 1.338 nan 8.150 nan 0.000 0.502 230 L N 2.792 123.847 121.223 -0.280 0.000 2.044 230 L HA 0.229 4.569 4.340 0.000 0.000 0.205 230 L C 0.077 176.568 176.870 -0.631 0.000 1.075 230 L CA 1.804 56.323 54.840 -0.534 0.000 0.747 230 L CB -0.465 41.186 42.059 -0.680 0.000 0.903 230 L HN 0.613 nan 8.230 nan 0.000 0.435 231 F N -1.390 118.499 119.950 -0.101 0.000 2.631 231 F HA 0.648 5.175 4.527 0.000 0.000 0.328 231 F C 0.877 176.647 175.800 -0.050 0.000 1.067 231 F CA -0.894 57.079 58.000 -0.045 0.000 0.969 231 F CB 0.461 39.447 39.000 -0.022 0.000 1.332 231 F HN -0.143 nan 8.300 nan 0.000 0.490 232 G N -0.205 108.721 108.800 0.210 0.000 2.476 232 G HA2 0.397 4.357 3.960 0.000 0.000 0.269 232 G HA3 0.397 4.357 3.960 0.000 0.000 0.269 232 G C -1.605 173.314 174.900 0.032 0.000 1.195 232 G CA -0.180 44.971 45.100 0.085 0.000 0.843 232 G HN 0.509 nan 8.290 nan 0.000 0.545 233 D N 0.983 121.370 120.400 -0.021 0.000 2.440 233 D HA 0.424 5.064 4.640 0.000 0.000 0.239 233 D C 1.212 177.444 176.300 -0.113 0.000 1.084 233 D CA -0.201 53.774 54.000 -0.042 0.000 0.843 233 D CB 1.422 42.227 40.800 0.009 0.000 1.097 233 D HN 0.308 nan 8.370 nan 0.000 0.531 234 A N 3.553 126.327 122.820 -0.078 0.000 2.093 234 A HA -0.106 4.215 4.320 0.000 0.000 0.222 234 A C 1.912 179.404 177.584 -0.154 0.000 1.162 234 A CA 1.983 53.962 52.037 -0.096 0.000 0.655 234 A CB -0.316 18.650 19.000 -0.057 0.000 0.805 234 A HN 0.616 nan 8.150 nan 0.000 0.461 235 A N -0.694 122.022 122.820 -0.173 0.000 2.123 235 A HA 0.440 4.760 4.320 0.000 0.000 0.214 235 A C 1.465 178.671 177.584 -0.630 0.000 1.152 235 A CA 0.884 52.790 52.037 -0.217 0.000 0.728 235 A CB -0.706 18.292 19.000 -0.002 0.000 0.814 235 A HN 0.715 nan 8.150 nan 0.000 0.464 236 G N 0.231 108.447 108.800 -0.973 0.000 2.580 236 G HA2 0.477 4.437 3.960 0.000 0.000 0.278 236 G HA3 0.477 4.437 3.960 0.000 0.000 0.278 236 G C -2.360 172.151 174.900 -0.648 0.000 1.212 236 G CA -1.262 42.945 45.100 -1.488 0.000 0.939 236 G HN 0.193 nan 8.290 nan 0.000 0.513 237 P HA 0.196 nan 4.420 nan 0.000 0.270 237 P C -0.069 177.018 177.300 -0.355 0.000 1.223 237 P CA 0.080 62.950 63.100 -0.383 0.000 0.785 237 P CB 0.982 32.459 31.700 -0.372 0.000 0.923 238 T N -1.459 112.841 114.554 -0.423 0.000 2.930 238 T HA 0.752 5.103 4.350 0.000 0.000 0.290 238 T C -0.633 173.762 174.700 -0.508 0.000 1.052 238 T CA -0.535 61.385 62.100 -0.300 0.000 1.017 238 T CB 0.971 69.748 68.868 -0.151 0.000 1.137 238 T HN 0.201 nan 8.240 nan 0.000 0.511 239 F N -0.606 119.271 119.950 -0.121 0.000 2.620 239 F HA 0.517 5.045 4.527 0.000 0.000 0.320 239 F C -0.469 175.484 175.800 0.255 0.000 1.069 239 F CA -1.553 56.496 58.000 0.081 0.000 0.953 239 F CB 1.273 40.335 39.000 0.102 0.000 1.322 239 F HN 0.718 nan 8.300 nan 0.000 0.479 240 Y N 2.209 122.782 120.300 0.455 0.000 2.526 240 Y HA 0.117 4.667 4.550 0.001 0.000 0.330 240 Y C 0.395 176.434 175.900 0.232 0.000 1.156 240 Y CA -0.275 58.016 58.100 0.318 0.000 1.419 240 Y CB 0.257 38.923 38.460 0.343 0.000 1.250 240 Y HN 0.455 nan 8.280 nan 0.000 0.540 241 N N 5.304 124.032 118.700 0.047 0.000 2.663 241 N HA 0.137 4.877 4.740 0.000 0.000 0.250 241 N C 0.554 175.921 175.510 -0.238 0.000 1.129 241 N CA 0.572 53.523 53.050 -0.165 0.000 0.995 241 N CB 0.667 38.938 38.487 -0.361 0.000 1.324 241 N HN 0.888 nan 8.380 nan 0.000 0.512 242 A N 4.119 126.804 122.820 -0.224 0.000 2.084 242 A HA -0.136 4.184 4.320 0.000 0.000 0.221 242 A C 2.068 179.391 177.584 -0.437 0.000 1.161 242 A CA 0.939 52.864 52.037 -0.187 0.000 0.653 242 A CB -0.357 18.463 19.000 -0.301 0.000 0.802 242 A HN 0.735 nan 8.150 nan 0.000 0.457 243 L N -0.329 120.408 121.223 -0.810 0.000 2.265 243 L HA -0.210 4.130 4.340 0.000 0.000 0.215 243 L C 2.648 178.793 176.870 -1.208 0.000 1.117 243 L CA 1.570 55.666 54.840 -1.239 0.000 0.782 243 L CB -0.633 40.214 42.059 -2.021 0.000 0.914 243 L HN 0.626 nan 8.230 nan 0.000 0.441 244 R N -0.067 119.929 120.500 -0.840 0.000 2.328 244 R HA -0.094 4.247 4.340 0.000 0.000 0.207 244 R C 0.891 177.103 176.300 -0.147 0.000 1.056 244 R CA 0.861 56.792 56.100 -0.281 0.000 1.016 244 R CB -0.142 30.099 30.300 -0.098 0.000 0.872 244 R HN 0.315 nan 8.270 nan 0.000 0.471 245 E N 0.696 120.788 120.200 -0.180 0.000 2.501 245 E HA 0.238 4.588 4.350 0.000 0.000 0.201 245 E C -0.036 176.487 176.600 -0.129 0.000 1.016 245 E CA 0.130 56.481 56.400 -0.082 0.000 0.920 245 E CB 1.203 30.899 29.700 -0.007 0.000 1.023 245 E HN 0.416 nan 8.360 nan 0.000 0.474 246 A N 1.612 124.301 122.820 -0.219 0.000 2.322 246 A HA 0.208 4.528 4.320 0.000 0.000 0.269 246 A C 0.477 177.963 177.584 -0.164 0.000 1.094 246 A CA -0.458 51.463 52.037 -0.194 0.000 0.807 246 A CB 0.194 19.054 19.000 -0.234 0.000 1.047 246 A HN -0.021 nan 8.150 nan 0.000 0.487 247 N N 1.460 120.084 118.700 -0.128 0.000 2.819 247 N HA 0.162 4.903 4.740 0.000 0.000 0.284 247 N C 0.281 175.690 175.510 -0.169 0.000 1.196 247 N CA 0.220 53.204 53.050 -0.109 0.000 1.114 247 N CB -0.587 37.863 38.487 -0.062 0.000 1.437 247 N HN 0.598 nan 8.380 nan 0.000 0.518 248 L N 0.541 121.598 121.223 -0.277 0.000 2.357 248 L HA 0.304 4.644 4.340 0.000 0.000 0.211 248 L C 1.452 178.133 176.870 -0.315 0.000 1.075 248 L CA 0.406 54.936 54.840 -0.516 0.000 0.830 248 L CB -0.050 41.294 42.059 -1.191 0.000 0.996 248 L HN 0.567 nan 8.230 nan 0.000 0.467 249 G N -0.891 107.849 108.800 -0.101 0.000 2.149 249 G HA2 -0.220 3.741 3.960 0.000 0.000 0.235 249 G HA3 -0.220 3.741 3.960 0.000 0.000 0.235 249 G C -0.435 174.660 174.900 0.324 0.000 1.018 249 G CA -0.421 44.740 45.100 0.102 0.000 0.728 249 G HN 0.079 nan 8.290 nan 0.000 0.508 250 W N 1.046 122.389 121.300 0.072 0.000 2.448 250 W HA 0.738 5.398 4.660 0.001 0.000 0.339 250 W C 1.102 177.672 176.519 0.083 0.000 1.124 250 W CA -1.034 56.348 57.345 0.062 0.000 1.262 250 W CB 0.922 30.410 29.460 0.047 0.000 1.251 250 W HN 0.559 nan 8.180 nan 0.000 0.597 251 S N 0.404 116.286 115.700 0.303 0.000 2.608 251 S HA -0.005 4.465 4.470 0.000 0.000 0.261 251 S C 0.721 175.496 174.600 0.293 0.000 1.314 251 S CA -0.365 57.994 58.200 0.265 0.000 0.992 251 S CB 0.778 64.112 63.200 0.223 0.000 0.935 251 S HN 0.611 nan 8.310 nan 0.000 0.564 252 W N 1.328 122.704 121.300 0.127 0.000 2.338 252 W HA -0.119 4.542 4.660 0.000 0.000 0.304 252 W C 2.140 178.711 176.519 0.085 0.000 1.212 252 W CA 1.860 59.270 57.345 0.108 0.000 1.264 252 W CB -0.167 29.344 29.460 0.085 0.000 1.142 252 W HN 0.798 nan 8.180 nan 0.000 0.512 253 E N 0.329 120.803 120.200 0.457 0.000 2.077 253 E HA -0.231 4.119 4.350 0.000 0.000 0.193 253 E C 1.858 178.453 176.600 -0.008 0.000 0.989 253 E CA 1.906 58.465 56.400 0.264 0.000 0.800 253 E CB -0.593 29.259 29.700 0.254 0.000 0.746 253 E HN 0.581 nan 8.360 nan 0.000 0.452 254 E N 0.630 120.827 120.200 -0.006 0.000 2.047 254 E HA -0.122 4.228 4.350 0.000 0.000 0.191 254 E C 2.387 178.910 176.600 -0.128 0.000 0.987 254 E CA 0.660 56.975 56.400 -0.142 0.000 0.799 254 E CB -0.131 29.448 29.700 -0.201 0.000 0.752 254 E HN 0.169 nan 8.360 nan 0.000 0.449 255 L N 0.671 121.911 121.223 0.029 0.000 2.046 255 L HA -0.174 4.166 4.340 0.000 0.000 0.208 255 L C 2.591 179.342 176.870 -0.199 0.000 1.077 255 L CA 1.262 56.140 54.840 0.065 0.000 0.747 255 L CB -0.592 41.548 42.059 0.134 0.000 0.896 255 L HN 0.149 nan 8.230 nan 0.000 0.432 256 T N -0.970 113.341 114.554 -0.405 0.000 2.788 256 T HA -0.217 4.133 4.350 0.000 0.000 0.268 256 T C 2.025 176.533 174.700 -0.320 0.000 1.044 256 T CA 1.258 63.061 62.100 -0.494 0.000 1.139 256 T CB -0.196 68.139 68.868 -0.889 0.000 0.867 256 T HN 0.262 nan 8.240 nan 0.000 0.454 257 R N 0.649 120.979 120.500 -0.283 0.000 2.115 257 R HA 0.085 4.426 4.340 0.000 0.000 0.226 257 R C 2.434 178.545 176.300 -0.315 0.000 1.100 257 R CA 1.132 57.084 56.100 -0.248 0.000 0.980 257 R CB -0.242 29.933 30.300 -0.208 0.000 0.875 257 R HN 0.368 nan 8.270 nan 0.000 0.445 258 A N 0.077 122.617 122.820 -0.465 0.000 1.935 258 A HA 0.055 4.375 4.320 0.000 0.000 0.214 258 A C 0.224 177.425 177.584 -0.637 0.000 1.178 258 A CA 0.494 52.133 52.037 -0.663 0.000 0.640 258 A CB 0.202 18.583 19.000 -1.032 0.000 0.825 258 A HN 0.253 nan 8.150 nan 0.000 0.447 259 F N 1.153 121.057 119.950 -0.077 0.000 2.449 259 F HA 0.331 4.858 4.527 0.001 0.000 0.329 259 F C -2.533 173.129 175.800 -0.231 0.000 1.245 259 F CA -3.819 54.089 58.000 -0.155 0.000 1.193 259 F CB 0.285 39.168 39.000 -0.196 0.000 1.425 259 F HN -0.013 nan 8.300 nan 0.000 0.544 260 P HA 0.048 nan 4.420 nan 0.000 0.265 260 P C -0.117 177.165 177.300 -0.030 0.000 1.193 260 P CA 0.384 63.413 63.100 -0.119 0.000 0.765 260 P CB 1.672 33.264 31.700 -0.181 0.000 0.823 261 S N 2.590 118.274 115.700 -0.027 0.000 2.566 261 S HA 0.532 5.002 4.470 0.000 0.000 0.273 261 S C -2.668 171.930 174.600 -0.003 0.000 1.157 261 S CA -1.139 57.067 58.200 0.009 0.000 0.938 261 S CB 0.750 63.856 63.200 -0.157 0.000 1.087 261 S HN 0.316 nan 8.310 nan 0.000 0.474 262 P HA 0.501 nan 4.420 nan 0.000 0.274 262 P C -0.931 176.509 177.300 0.233 0.000 1.246 262 P CA -0.256 62.924 63.100 0.132 0.000 0.795 262 P CB 0.221 31.951 31.700 0.050 0.000 1.006 263 F N -2.150 117.846 119.950 0.076 0.000 2.664 263 F HA 0.588 5.115 4.527 0.000 0.000 0.317 263 F C -0.893 175.011 175.800 0.173 0.000 1.108 263 F CA -1.366 56.697 58.000 0.105 0.000 0.957 263 F CB 0.644 39.733 39.000 0.149 0.000 1.365 263 F HN 0.121 nan 8.300 nan 0.000 0.475 264 S N 2.224 117.850 115.700 -0.125 0.000 2.465 264 S HA 0.385 4.855 4.470 0.000 0.000 0.279 264 S C -0.517 173.875 174.600 -0.347 0.000 1.201 264 S CA -0.412 57.682 58.200 -0.177 0.000 1.053 264 S CB 0.705 63.913 63.200 0.014 0.000 0.953 264 S HN 0.640 nan 8.310 nan 0.000 0.488 265 L N 5.977 126.959 121.223 -0.403 0.000 2.454 265 L HA 0.282 4.622 4.340 0.000 0.000 0.284 265 L C 0.603 177.427 176.870 -0.078 0.000 1.139 265 L CA 0.574 55.208 54.840 -0.344 0.000 0.911 265 L CB -0.909 40.880 42.059 -0.450 0.000 1.262 265 L HN 0.820 nan 8.230 nan 0.000 0.453 266 T N -0.157 114.407 114.554 0.017 0.000 2.864 266 T HA 0.440 4.790 4.350 0.000 0.000 0.289 266 T C 1.080 175.771 174.700 -0.016 0.000 1.082 266 T CA -0.472 61.633 62.100 0.008 0.000 1.009 266 T CB 1.019 69.906 68.868 0.032 0.000 1.234 266 T HN -0.037 nan 8.240 nan 0.000 0.526 267 V N 0.759 120.617 119.914 -0.094 0.000 2.358 267 V HA -0.072 4.048 4.120 0.000 0.000 0.246 267 V C 2.521 178.519 176.094 -0.160 0.000 1.047 267 V CA 2.428 64.648 62.300 -0.133 0.000 1.035 267 V CB -1.038 30.659 31.823 -0.210 0.000 0.658 267 V HN 1.097 nan 8.190 nan 0.000 0.452 268 D N 0.477 120.732 120.400 -0.241 0.000 2.144 268 D HA -0.159 4.481 4.640 0.000 0.000 0.199 268 D C 2.072 178.440 176.300 0.114 0.000 0.984 268 D CA 1.480 55.422 54.000 -0.096 0.000 0.834 268 D CB -0.111 40.711 40.800 0.037 0.000 0.955 268 D HN 0.369 nan 8.370 nan 0.000 0.465 269 A N 0.622 123.505 122.820 0.105 0.000 1.877 269 A HA 0.016 4.337 4.320 0.000 0.000 0.216 269 A C 2.453 179.932 177.584 -0.174 0.000 1.186 269 A CA 2.305 54.332 52.037 -0.017 0.000 0.620 269 A CB -1.300 17.839 19.000 0.231 0.000 0.822 269 A HN 0.358 nan 8.150 nan 0.000 0.443 270 A N -0.598 122.204 122.820 -0.031 0.000 1.883 270 A HA -0.042 4.279 4.320 0.000 0.000 0.217 270 A C 2.260 179.937 177.584 0.155 0.000 1.186 270 A CA 1.972 54.032 52.037 0.038 0.000 0.624 270 A CB -1.074 17.951 19.000 0.041 0.000 0.822 270 A HN 0.434 nan 8.150 nan 0.000 0.444 271 V N -0.040 119.936 119.914 0.104 0.000 2.295 271 V HA -0.262 3.859 4.120 0.000 0.000 0.246 271 V C 2.734 178.954 176.094 0.211 0.000 1.049 271 V CA 2.078 64.474 62.300 0.161 0.000 1.024 271 V CB -0.775 31.207 31.823 0.264 0.000 0.648 271 V HN 0.533 nan 8.190 nan 0.000 0.447 272 Q N -0.264 119.644 119.800 0.178 0.000 2.167 272 Q HA -0.204 4.136 4.340 0.000 0.000 0.202 272 Q C 2.248 178.323 176.000 0.125 0.000 0.970 272 Q CA 1.496 57.410 55.803 0.186 0.000 0.855 272 Q CB -0.402 28.505 28.738 0.281 0.000 0.911 272 Q HN 0.714 nan 8.270 nan 0.000 0.438 273 Q N -0.775 119.003 119.800 -0.037 0.000 2.167 273 Q HA -0.162 4.178 4.340 0.000 0.000 0.202 273 Q C 1.722 177.872 176.000 0.251 0.000 0.970 273 Q CA 1.173 56.979 55.803 0.006 0.000 0.855 273 Q CB -0.099 28.478 28.738 -0.269 0.000 0.911 273 Q HN 0.543 nan 8.270 nan 0.000 0.438 274 H N -0.165 119.006 119.070 0.168 0.000 2.395 274 H HA -0.009 4.547 4.556 0.000 0.000 0.299 274 H C 1.714 177.128 175.328 0.143 0.000 1.070 274 H CA 0.970 57.128 56.048 0.183 0.000 1.356 274 H CB 0.067 29.913 29.762 0.139 0.000 1.401 274 H HN 0.111 nan 8.280 nan 0.000 0.524 275 L N -0.256 121.121 121.223 0.257 0.000 2.275 275 L HA -0.116 4.224 4.340 0.000 0.000 0.215 275 L C 1.856 178.818 176.870 0.153 0.000 1.119 275 L CA 0.736 55.682 54.840 0.178 0.000 0.790 275 L CB -0.239 41.916 42.059 0.160 0.000 0.919 275 L HN 0.366 nan 8.230 nan 0.000 0.443 276 M N -1.301 118.414 119.600 0.191 0.000 2.476 276 M HA -0.058 4.422 4.480 0.000 0.000 0.262 276 M C 0.320 176.713 176.300 0.156 0.000 1.079 276 M CA 0.808 56.215 55.300 0.178 0.000 1.104 276 M CB -0.021 32.734 32.600 0.258 0.000 1.409 276 M HN 0.130 nan 8.290 nan 0.000 0.467 277 M N 1.322 120.998 119.600 0.126 0.000 2.146 277 M HA 0.165 4.646 4.480 0.000 0.000 0.357 277 M C 0.093 176.422 176.300 0.048 0.000 1.261 277 M CA -0.180 55.152 55.300 0.053 0.000 1.106 277 M CB 0.340 32.865 32.600 -0.124 0.000 1.612 277 M HN 0.095 nan 8.290 nan 0.000 0.470 278 E N 1.316 121.547 120.200 0.052 0.000 2.442 278 E HA 0.251 4.602 4.350 0.000 0.000 0.262 278 E C 1.028 177.647 176.600 0.032 0.000 1.004 278 E CA 1.072 57.496 56.400 0.041 0.000 0.928 278 E CB 0.409 30.135 29.700 0.045 0.000 0.937 278 E HN 0.915 nan 8.360 nan 0.000 0.446 279 G N 2.495 111.313 108.800 0.030 0.000 2.143 279 G HA2 -0.237 3.723 3.960 0.000 0.000 0.249 279 G HA3 -0.237 3.723 3.960 0.000 0.000 0.249 279 G C -0.130 174.789 174.900 0.032 0.000 0.981 279 G CA 0.149 45.264 45.100 0.026 0.000 0.665 279 G HN 0.489 nan 8.290 nan 0.000 0.528 280 V N 3.178 123.120 119.914 0.047 0.000 2.293 280 V HA 0.442 4.562 4.120 0.000 0.000 0.275 280 V C -1.276 174.860 176.094 0.070 0.000 1.021 280 V CA -1.333 61.009 62.300 0.069 0.000 0.815 280 V CB 1.474 33.358 31.823 0.102 0.000 1.025 280 V HN 0.307 nan 8.190 nan 0.000 0.448 281 P HA 0.165 nan 4.420 nan 0.000 0.275 281 P C 1.018 178.355 177.300 0.061 0.000 1.227 281 P CA -0.095 63.033 63.100 0.047 0.000 0.781 281 P CB 1.600 33.316 31.700 0.027 0.000 0.906 282 S N 2.781 118.516 115.700 0.059 0.000 2.383 282 S HA -0.201 4.269 4.470 0.000 0.000 0.229 282 S C 1.967 176.609 174.600 0.070 0.000 1.030 282 S CA 1.051 59.291 58.200 0.066 0.000 1.002 282 S CB -1.373 61.858 63.200 0.051 0.000 0.829 282 S HN 0.536 nan 8.310 nan 0.000 0.467 283 A N 1.775 124.630 122.820 0.059 0.000 2.076 283 A HA -0.063 4.257 4.320 0.000 0.000 0.220 283 A C 2.177 179.832 177.584 0.119 0.000 1.160 283 A CA 1.539 53.620 52.037 0.074 0.000 0.653 283 A CB -0.494 18.534 19.000 0.047 0.000 0.801 283 A HN 0.650 nan 8.150 nan 0.000 0.455 284 K N -0.994 119.461 120.400 0.092 0.000 2.379 284 K HA 0.278 4.598 4.320 0.000 0.000 0.194 284 K C -0.243 176.472 176.600 0.191 0.000 1.031 284 K CA -0.070 56.285 56.287 0.112 0.000 1.037 284 K CB 0.226 32.738 32.500 0.020 0.000 0.824 284 K HN 0.447 nan 8.250 nan 0.000 0.516 285 I N 2.148 122.798 120.570 0.133 0.000 2.416 285 I HA 0.032 4.202 4.170 0.000 0.000 0.288 285 I C -0.401 175.764 176.117 0.080 0.000 1.051 285 I CA -0.386 60.965 61.300 0.085 0.000 1.375 285 I CB 1.116 39.148 38.000 0.053 0.000 1.407 285 I HN -0.265 nan 8.210 nan 0.000 0.516 286 V N 7.645 127.588 119.914 0.048 0.000 2.448 286 V HA 0.309 4.429 4.120 0.000 0.000 0.295 286 V C 0.083 176.192 176.094 0.025 0.000 1.025 286 V CA -0.712 61.592 62.300 0.006 0.000 0.859 286 V CB 1.821 33.598 31.823 -0.077 0.000 0.988 286 V HN 0.693 nan 8.190 nan 0.000 0.431 287 M N 4.306 123.941 119.600 0.058 0.000 2.146 287 M HA 0.507 4.988 4.480 0.000 0.000 0.352 287 M C 0.527 176.893 176.300 0.110 0.000 1.343 287 M CA -0.088 55.258 55.300 0.076 0.000 1.115 287 M CB 0.430 33.099 32.600 0.115 0.000 1.657 287 M HN 0.809 nan 8.290 nan 0.000 0.471 288 G N 4.169 113.038 108.800 0.115 0.000 2.444 288 G HA2 0.539 4.499 3.960 0.000 0.000 0.268 288 G HA3 0.539 4.499 3.960 0.000 0.000 0.268 288 G C -0.840 174.278 174.900 0.364 0.000 1.203 288 G CA -0.544 44.713 45.100 0.262 0.000 0.835 288 G HN 0.832 nan 8.290 nan 0.000 0.543 289 V N -0.570 119.624 119.914 0.468 0.000 2.876 289 V HA 0.862 4.983 4.120 0.000 0.000 0.312 289 V C -2.705 173.651 176.094 0.436 0.000 1.085 289 V CA -2.683 59.886 62.300 0.447 0.000 0.945 289 V CB 2.627 34.573 31.823 0.205 0.000 1.017 289 V HN 0.656 nan 8.190 nan 0.000 0.428 290 P HA 0.441 nan 4.420 nan 0.000 0.292 290 P C -0.840 176.626 177.300 0.277 0.000 1.283 290 P CA -0.241 62.804 63.100 -0.091 0.000 0.835 290 P CB 1.490 32.811 31.700 -0.633 0.000 1.017 291 F N 2.225 122.185 119.950 0.018 0.000 2.668 291 F HA 0.241 4.769 4.527 0.000 0.000 0.297 291 F C 0.402 176.254 175.800 0.086 0.000 1.124 291 F CA -0.539 57.490 58.000 0.048 0.000 1.353 291 F CB -0.521 38.492 39.000 0.022 0.000 0.992 291 F HN 0.252 nan 8.300 nan 0.000 0.524 292 Y N -2.542 117.889 120.300 0.219 0.000 2.615 292 Y HA 0.867 5.417 4.550 0.001 0.000 0.341 292 Y C -0.156 175.837 175.900 0.154 0.000 1.089 292 Y CA -2.132 56.046 58.100 0.130 0.000 1.049 292 Y CB 0.928 39.438 38.460 0.083 0.000 1.296 292 Y HN -0.117 nan 8.280 nan 0.000 0.470 293 G N 1.002 109.914 108.800 0.187 0.000 2.511 293 G HA2 0.716 4.677 3.960 0.000 0.000 0.318 293 G HA3 0.716 4.677 3.960 0.000 0.000 0.318 293 G C -1.566 173.460 174.900 0.209 0.000 1.210 293 G CA -1.561 43.630 45.100 0.151 0.000 0.969 293 G HN 0.664 nan 8.290 nan 0.000 0.484 294 R N -0.281 120.327 120.500 0.180 0.000 2.494 294 R HA 0.643 4.983 4.340 0.000 0.000 0.305 294 R C -0.528 175.859 176.300 0.146 0.000 0.959 294 R CA -0.548 55.634 56.100 0.138 0.000 0.864 294 R CB 2.204 32.599 30.300 0.159 0.000 1.159 294 R HN 0.627 nan 8.270 nan 0.000 0.446 295 A N 3.261 126.106 122.820 0.042 0.000 2.337 295 A HA 0.800 5.120 4.320 0.000 0.000 0.329 295 A C -1.173 176.572 177.584 0.267 0.000 1.146 295 A CA -0.460 51.723 52.037 0.243 0.000 0.800 295 A CB 0.668 19.777 19.000 0.181 0.000 1.220 295 A HN 0.536 nan 8.150 nan 0.000 0.472 296 F N 0.520 120.661 119.950 0.320 0.000 2.577 296 F HA 0.617 5.144 4.527 0.000 0.000 0.318 296 F C 0.351 176.143 175.800 -0.014 0.000 1.065 296 F CA -0.656 57.417 58.000 0.122 0.000 0.929 296 F CB 2.422 41.397 39.000 -0.042 0.000 1.237 296 F HN 0.661 nan 8.300 nan 0.000 0.468 297 K N -0.284 120.014 120.400 -0.171 0.000 2.375 297 K HA 0.804 5.125 4.320 0.000 0.000 0.249 297 K C 0.159 176.694 176.600 -0.108 0.000 0.942 297 K CA -0.773 55.307 56.287 -0.346 0.000 0.806 297 K CB 2.167 33.996 32.500 -1.117 0.000 1.227 297 K HN 0.957 nan 8.250 nan 0.000 0.430 298 G N 0.534 109.304 108.800 -0.050 0.000 2.131 298 G HA2 -0.213 3.747 3.960 0.000 0.000 0.201 298 G HA3 -0.213 3.747 3.960 0.000 0.000 0.201 298 G C -0.130 174.797 174.900 0.045 0.000 1.000 298 G CA -0.160 44.935 45.100 -0.008 0.000 0.680 298 G HN 1.055 nan 8.290 nan 0.000 0.514 299 V N -1.257 118.708 119.914 0.084 0.000 2.508 299 V HA 0.714 4.835 4.120 0.000 0.000 0.281 299 V C 1.303 177.435 176.094 0.064 0.000 1.041 299 V CA 0.841 63.178 62.300 0.062 0.000 1.016 299 V CB 1.397 33.271 31.823 0.085 0.000 0.984 299 V HN 0.407 nan 8.190 nan 0.000 0.478 300 S N 3.937 119.638 115.700 0.002 0.000 2.584 300 S HA 0.239 4.710 4.470 0.000 0.000 0.240 300 S C 1.228 175.842 174.600 0.024 0.000 0.975 300 S CA 0.692 58.896 58.200 0.007 0.000 0.949 300 S CB -1.207 61.978 63.200 -0.026 0.000 0.761 300 S HN 2.048 nan 8.310 nan 0.000 0.536 301 G N -0.040 108.782 108.800 0.036 0.000 2.954 301 G HA2 0.143 4.103 3.960 0.000 0.000 0.672 301 G HA3 0.143 4.103 3.960 0.000 0.000 0.672 301 G C 0.693 175.572 174.900 -0.034 0.000 1.598 301 G CA -0.422 44.713 45.100 0.059 0.000 1.063 301 G HN 1.191 nan 8.290 nan 0.000 0.584 302 G N -0.300 108.472 108.800 -0.046 0.000 2.491 302 G HA2 -0.232 3.728 3.960 0.000 0.000 0.203 302 G HA3 -0.232 3.728 3.960 0.000 0.000 0.203 302 G C 0.663 175.514 174.900 -0.082 0.000 1.052 302 G CA 0.759 45.835 45.100 -0.040 0.000 0.675 302 G HN 1.672 nan 8.290 nan 0.000 0.504 303 N N 0.595 119.186 118.700 -0.181 0.000 2.497 303 N HA 0.423 5.164 4.740 0.000 0.000 0.284 303 N C 1.279 176.617 175.510 -0.287 0.000 1.459 303 N CA 0.648 53.582 53.050 -0.193 0.000 0.899 303 N CB 0.010 38.364 38.487 -0.221 0.000 1.316 303 N HN 1.294 nan 8.380 nan 0.000 0.500 304 G N 0.271 108.817 108.800 -0.424 0.000 2.187 304 G HA2 -0.299 3.661 3.960 0.000 0.000 0.261 304 G HA3 -0.299 3.661 3.960 0.000 0.000 0.261 304 G C 0.879 175.267 174.900 -0.853 0.000 1.000 304 G CA 0.345 45.017 45.100 -0.713 0.000 0.718 304 G HN 0.812 nan 8.290 nan 0.000 0.519 305 G N -1.960 106.370 108.800 -0.784 0.000 2.175 305 G HA2 -0.237 3.723 3.960 0.000 0.000 0.244 305 G HA3 -0.237 3.723 3.960 0.000 0.000 0.244 305 G C 0.307 174.639 174.900 -0.947 0.000 0.982 305 G CA 0.898 45.688 45.100 -0.516 0.000 0.641 305 G HN 1.151 nan 8.290 nan 0.000 0.527 306 Q N -0.604 118.602 119.800 -0.991 0.000 2.327 306 Q HA 0.472 4.812 4.340 0.000 0.000 0.254 306 Q C 0.404 175.737 176.000 -1.112 0.000 0.952 306 Q CA -0.539 54.369 55.803 -1.490 0.000 0.884 306 Q CB 0.318 28.046 28.738 -1.684 0.000 1.224 306 Q HN 0.637 nan 8.270 nan 0.000 0.422 307 Y N -1.152 118.763 120.300 -0.641 0.000 3.108 307 Y HA -0.266 4.284 4.550 0.000 0.000 0.208 307 Y C -0.043 175.657 175.900 -0.334 0.000 1.245 307 Y CA 0.692 58.546 58.100 -0.410 0.000 1.171 307 Y CB -2.386 35.904 38.460 -0.284 0.000 1.331 307 Y HN 0.490 nan 8.280 nan 0.000 0.534 308 S N -1.075 114.454 115.700 -0.285 0.000 2.638 308 S HA 0.802 5.273 4.470 0.000 0.000 0.302 308 S C 0.207 174.737 174.600 -0.117 0.000 1.096 308 S CA -0.123 57.962 58.200 -0.191 0.000 0.953 308 S CB 2.108 65.174 63.200 -0.224 0.000 1.107 308 S HN 0.690 nan 8.310 nan 0.000 0.503 309 S N 0.574 116.233 115.700 -0.067 0.000 2.589 309 S HA 0.483 4.953 4.470 0.000 0.000 0.265 309 S C -0.358 174.259 174.600 0.028 0.000 1.342 309 S CA 0.397 58.573 58.200 -0.041 0.000 1.005 309 S CB -0.219 62.941 63.200 -0.066 0.000 0.909 309 S HN 1.132 nan 8.310 nan 0.000 0.555 310 H N -1.339 117.708 119.070 -0.038 0.000 2.960 310 H HA 0.631 5.188 4.556 0.001 0.000 0.323 310 H C -0.824 174.504 175.328 0.000 0.000 1.326 310 H CA -0.364 55.682 56.048 -0.004 0.000 1.124 310 H CB 0.904 30.720 29.762 0.089 0.000 1.853 310 H HN 0.479 nan 8.280 nan 0.000 0.536 311 S N -0.120 115.598 115.700 0.029 0.000 2.617 311 S HA 0.286 4.756 4.470 0.000 0.000 0.237 311 S C -0.806 173.831 174.600 0.061 0.000 1.142 311 S CA -0.533 57.630 58.200 -0.061 0.000 1.167 311 S CB -0.497 62.656 63.200 -0.078 0.000 1.068 311 S HN 0.672 nan 8.310 nan 0.000 0.470 312 T N 4.371 119.158 114.554 0.389 0.000 2.799 312 T HA 0.491 4.842 4.350 0.000 0.000 0.286 312 T C -2.652 172.215 174.700 0.278 0.000 0.973 312 T CA -1.230 61.045 62.100 0.291 0.000 1.035 312 T CB 0.923 69.916 68.868 0.210 0.000 0.932 312 T HN 0.191 nan 8.240 nan 0.000 0.469 313 P HA 0.215 nan 4.420 nan 0.000 0.267 313 P C 0.819 178.263 177.300 0.240 0.000 1.200 313 P CA -0.055 63.184 63.100 0.232 0.000 0.772 313 P CB 0.495 32.349 31.700 0.256 0.000 0.855 314 G N 1.177 110.099 108.800 0.204 0.000 2.784 314 G HA2 0.022 3.983 3.960 0.000 0.000 0.208 314 G HA3 0.022 3.983 3.960 0.000 0.000 0.208 314 G C -0.008 175.026 174.900 0.223 0.000 1.120 314 G CA -0.020 45.222 45.100 0.236 0.000 0.774 314 G HN 0.434 nan 8.290 nan 0.000 0.528 315 E N 0.595 120.896 120.200 0.168 0.000 2.422 315 E HA 0.432 4.782 4.350 0.000 0.000 0.260 315 E C -1.033 175.660 176.600 0.155 0.000 1.108 315 E CA 0.102 56.585 56.400 0.138 0.000 0.943 315 E CB 0.992 30.748 29.700 0.093 0.000 0.961 315 E HN 0.159 nan 8.360 nan 0.000 0.443 316 D N 0.756 121.236 120.400 0.133 0.000 2.757 316 D HA 0.312 4.953 4.640 0.000 0.000 0.249 316 D C -2.222 174.147 176.300 0.116 0.000 1.168 316 D CA -1.534 52.545 54.000 0.132 0.000 0.870 316 D CB 0.794 41.665 40.800 0.117 0.000 1.411 316 D HN 0.274 nan 8.370 nan 0.000 0.525 317 P HA 0.109 nan 4.420 nan 0.000 0.277 317 P C -0.706 176.699 177.300 0.175 0.000 1.276 317 P CA -0.450 62.728 63.100 0.130 0.000 0.788 317 P CB 0.306 32.072 31.700 0.109 0.000 1.114 318 Y N 2.111 122.451 120.300 0.067 0.000 2.632 318 Y HA 0.040 4.590 4.550 0.001 0.000 0.329 318 Y C -1.028 174.935 175.900 0.104 0.000 1.174 318 Y CA -1.535 56.621 58.100 0.094 0.000 1.469 318 Y CB 0.096 38.612 38.460 0.094 0.000 1.242 318 Y HN 0.268 nan 8.280 nan 0.000 0.540 319 P HA -0.032 nan 4.420 nan 0.000 0.219 319 P C 0.223 177.345 177.300 -0.297 0.000 1.154 319 P CA 0.682 63.652 63.100 -0.218 0.000 0.826 319 P CB 0.398 32.003 31.700 -0.157 0.000 0.795 320 S N 0.047 115.357 115.700 -0.650 0.000 2.596 320 S HA 0.254 4.725 4.470 0.000 0.000 0.262 320 S C 1.356 175.900 174.600 -0.094 0.000 1.218 320 S CA 0.720 58.702 58.200 -0.363 0.000 0.998 320 S CB 0.005 63.015 63.200 -0.317 0.000 1.060 320 S HN 0.340 nan 8.310 nan 0.000 0.552 321 T N -2.732 111.795 114.554 -0.045 0.000 3.080 321 T HA 0.153 4.503 4.350 0.000 0.000 0.280 321 T C -0.266 174.046 174.700 -0.647 0.000 0.926 321 T CA -0.215 61.743 62.100 -0.236 0.000 0.883 321 T CB -0.294 68.462 68.868 -0.187 0.000 1.194 321 T HN 0.417 nan 8.240 nan 0.000 0.541 322 D N 2.047 122.372 120.400 -0.124 0.000 2.346 322 D HA 0.038 4.679 4.640 0.000 0.000 0.267 322 D C -1.086 175.304 176.300 0.150 0.000 1.320 322 D CA -0.196 53.819 54.000 0.026 0.000 0.951 322 D CB -0.153 40.798 40.800 0.252 0.000 1.079 322 D HN 0.313 nan 8.370 nan 0.000 0.509 323 Y N 5.101 125.430 120.300 0.047 0.000 2.880 323 Y HA 0.165 4.715 4.550 0.001 0.000 0.329 323 Y C 0.628 176.406 175.900 -0.203 0.000 1.156 323 Y CA -1.538 56.420 58.100 -0.236 0.000 1.348 323 Y CB -0.336 38.006 38.460 -0.197 0.000 1.280 323 Y HN 0.549 nan 8.280 nan 0.000 0.516 324 W N 0.836 122.207 121.300 0.119 0.000 3.077 324 W HA 0.185 4.845 4.660 0.000 0.000 0.245 324 W C -0.554 175.967 176.519 0.004 0.000 1.316 324 W CA -0.432 56.940 57.345 0.045 0.000 1.537 324 W CB -0.105 29.386 29.460 0.052 0.000 1.131 324 W HN 0.297 nan 8.180 nan 0.000 0.695 325 L N 2.971 124.062 121.223 -0.220 0.000 2.334 325 L HA 0.248 4.589 4.340 0.000 0.000 0.286 325 L C 0.269 177.106 176.870 -0.056 0.000 1.108 325 L CA -0.679 54.099 54.840 -0.103 0.000 0.875 325 L CB 0.490 42.329 42.059 -0.366 0.000 1.246 325 L HN -0.204 nan 8.230 nan 0.000 0.439 326 V N 6.609 126.544 119.914 0.035 0.000 2.506 326 V HA 0.188 4.308 4.120 0.000 0.000 0.296 326 V C 1.559 177.481 176.094 -0.286 0.000 1.004 326 V CA 1.301 63.556 62.300 -0.076 0.000 1.150 326 V CB -0.213 31.553 31.823 -0.095 0.000 0.911 326 V HN 1.092 nan 8.190 nan 0.000 0.476 327 G N 3.395 111.882 108.800 -0.521 0.000 2.179 327 G HA2 -0.289 3.671 3.960 0.000 0.000 0.260 327 G HA3 -0.289 3.671 3.960 0.000 0.000 0.260 327 G C 0.510 175.152 174.900 -0.430 0.000 0.977 327 G CA 0.031 44.588 45.100 -0.905 0.000 0.641 327 G HN 0.992 nan 8.290 nan 0.000 0.533 328 C N 1.743 120.866 119.300 -0.294 0.000 2.145 328 C HA 0.612 5.072 4.460 0.000 0.000 0.374 328 C C 1.780 176.648 174.990 -0.203 0.000 1.035 328 C CA 0.095 58.965 59.018 -0.247 0.000 1.431 328 C CB -1.169 26.409 27.740 -0.271 0.000 1.789 328 C HN 0.548 nan 8.230 nan 0.000 0.483 329 E N 1.056 121.165 120.200 -0.153 0.000 2.152 329 E HA -0.191 4.160 4.350 0.000 0.000 0.192 329 E C 1.999 178.518 176.600 -0.135 0.000 0.983 329 E CA 1.004 57.337 56.400 -0.112 0.000 0.818 329 E CB 0.091 29.755 29.700 -0.060 0.000 0.758 329 E HN 0.863 nan 8.360 nan 0.000 0.467 330 E N 0.398 120.513 120.200 -0.142 0.000 2.070 330 E HA -0.246 4.104 4.350 0.000 0.000 0.197 330 E C 1.990 178.469 176.600 -0.202 0.000 1.004 330 E CA 1.520 57.836 56.400 -0.140 0.000 0.805 330 E CB -0.056 29.565 29.700 -0.131 0.000 0.744 330 E HN 0.288 nan 8.360 nan 0.000 0.451 331 C N 0.062 119.200 119.300 -0.269 0.000 2.401 331 C HA -0.136 4.324 4.460 0.000 0.000 0.276 331 C C 2.692 177.357 174.990 -0.541 0.000 1.233 331 C CA 0.681 59.459 59.018 -0.400 0.000 1.753 331 C CB -0.921 26.545 27.740 -0.456 0.000 2.029 331 C HN 0.358 nan 8.230 nan 0.000 0.478 332 V N 0.937 120.592 119.914 -0.430 0.000 2.295 332 V HA -0.238 3.882 4.120 0.000 0.000 0.246 332 V C 2.691 178.611 176.094 -0.291 0.000 1.049 332 V CA 2.267 64.317 62.300 -0.417 0.000 1.024 332 V CB -0.763 31.004 31.823 -0.095 0.000 0.648 332 V HN 0.537 nan 8.190 nan 0.000 0.447 333 R N 0.310 120.700 120.500 -0.183 0.000 2.083 333 R HA -0.195 4.145 4.340 0.000 0.000 0.237 333 R C 1.729 177.953 176.300 -0.127 0.000 1.137 333 R CA 2.210 58.244 56.100 -0.110 0.000 0.951 333 R CB -0.337 29.918 30.300 -0.076 0.000 0.851 333 R HN 0.484 nan 8.270 nan 0.000 0.434 334 D N 0.357 120.651 120.400 -0.177 0.000 2.349 334 D HA -0.003 4.638 4.640 0.000 0.000 0.224 334 D C -0.006 176.166 176.300 -0.214 0.000 1.029 334 D CA 0.440 54.347 54.000 -0.155 0.000 0.879 334 D CB 0.202 40.919 40.800 -0.138 0.000 0.906 334 D HN 0.227 nan 8.370 nan 0.000 0.528 335 K N 0.564 120.734 120.400 -0.383 0.000 3.069 335 K HA -0.174 4.146 4.320 0.000 0.000 0.267 335 K C -0.456 175.888 176.600 -0.426 0.000 1.082 335 K CA 0.672 56.665 56.287 -0.490 0.000 0.782 335 K CB -1.054 31.422 32.500 -0.039 0.000 1.230 335 K HN 0.107 nan 8.250 nan 0.000 0.488 336 D N -0.637 119.414 120.400 -0.582 0.000 2.763 336 D HA 0.140 4.780 4.640 0.000 0.000 0.235 336 D C -2.306 173.567 176.300 -0.713 0.000 1.334 336 D CA -1.811 51.839 54.000 -0.583 0.000 0.950 336 D CB 1.661 42.280 40.800 -0.301 0.000 1.433 336 D HN -0.170 nan 8.370 nan 0.000 0.580 337 P HA 0.163 nan 4.420 nan 0.000 0.257 337 P C 0.637 177.396 177.300 -0.902 0.000 1.281 337 P CA 0.010 62.466 63.100 -1.072 0.000 0.826 337 P CB 0.494 31.159 31.700 -1.725 0.000 1.237 338 R N -0.585 119.579 120.500 -0.560 0.000 2.300 338 R HA 0.377 4.717 4.340 0.000 0.000 0.199 338 R C 0.886 177.079 176.300 -0.178 0.000 0.920 338 R CA 0.111 56.051 56.100 -0.266 0.000 1.046 338 R CB 0.453 30.668 30.300 -0.143 0.000 0.984 338 R HN 0.236 nan 8.270 nan 0.000 0.493 339 I N -0.065 120.389 120.570 -0.194 0.000 2.722 339 I HA 0.564 4.734 4.170 0.000 0.000 0.295 339 I C -1.886 174.165 176.117 -0.111 0.000 1.161 339 I CA -0.926 60.326 61.300 -0.081 0.000 1.032 339 I CB 2.057 40.014 38.000 -0.072 0.000 1.244 339 I HN -0.047 nan 8.210 nan 0.000 0.421 340 A N 4.524 127.322 122.820 -0.038 0.000 2.517 340 A HA 0.641 4.961 4.320 0.000 0.000 0.297 340 A C -0.581 176.998 177.584 -0.008 0.000 1.050 340 A CA -0.333 51.651 52.037 -0.087 0.000 0.694 340 A CB 1.604 20.497 19.000 -0.180 0.000 1.277 340 A HN 0.797 nan 8.150 nan 0.000 0.400 341 S N 1.251 116.933 115.700 -0.029 0.000 2.579 341 S HA 0.207 4.677 4.470 0.000 0.000 0.275 341 S C 0.894 175.468 174.600 -0.045 0.000 1.345 341 S CA 0.353 58.558 58.200 0.008 0.000 1.031 341 S CB 0.131 63.300 63.200 -0.052 0.000 0.892 341 S HN 1.309 nan 8.310 nan 0.000 0.529 342 Y N 2.817 123.066 120.300 -0.085 0.000 2.193 342 Y HA -0.210 4.340 4.550 0.001 0.000 0.285 342 Y C 2.639 178.442 175.900 -0.163 0.000 1.166 342 Y CA 2.195 60.205 58.100 -0.149 0.000 1.181 342 Y CB -0.416 37.932 38.460 -0.187 0.000 0.976 342 Y HN 0.877 nan 8.280 nan 0.000 0.520 343 R N 0.008 120.368 120.500 -0.234 0.000 2.094 343 R HA -0.296 4.044 4.340 0.000 0.000 0.239 343 R C 2.395 178.517 176.300 -0.296 0.000 1.137 343 R CA 2.193 58.143 56.100 -0.250 0.000 0.943 343 R CB -0.487 29.758 30.300 -0.091 0.000 0.850 343 R HN 0.419 nan 8.270 nan 0.000 0.433 344 Q N 0.563 120.221 119.800 -0.236 0.000 2.079 344 Q HA -0.072 4.268 4.340 0.000 0.000 0.200 344 Q C 2.030 177.845 176.000 -0.307 0.000 0.974 344 Q CA 1.672 57.340 55.803 -0.224 0.000 0.840 344 Q CB -0.230 28.397 28.738 -0.184 0.000 0.898 344 Q HN 0.524 nan 8.270 nan 0.000 0.430 345 L N 0.181 121.159 121.223 -0.409 0.000 2.201 345 L HA -0.117 4.223 4.340 0.000 0.000 0.212 345 L C 2.432 178.989 176.870 -0.522 0.000 1.105 345 L CA 1.420 55.947 54.840 -0.521 0.000 0.775 345 L CB -0.351 41.309 42.059 -0.666 0.000 0.913 345 L HN 0.400 nan 8.230 nan 0.000 0.440 346 E N -0.097 119.748 120.200 -0.592 0.000 2.072 346 E HA -0.225 4.125 4.350 0.000 0.000 0.190 346 E C 2.161 178.610 176.600 -0.252 0.000 0.982 346 E CA 0.889 56.997 56.400 -0.487 0.000 0.803 346 E CB 0.139 29.459 29.700 -0.633 0.000 0.755 346 E HN 0.516 nan 8.360 nan 0.000 0.453 347 Q N -0.222 119.451 119.800 -0.210 0.000 2.119 347 Q HA -0.132 4.208 4.340 0.000 0.000 0.201 347 Q C 2.196 178.206 176.000 0.017 0.000 0.972 347 Q CA 1.521 57.276 55.803 -0.081 0.000 0.847 347 Q CB -0.037 28.662 28.738 -0.065 0.000 0.903 347 Q HN 0.356 nan 8.270 nan 0.000 0.433 348 M N 0.122 119.692 119.600 -0.050 0.000 2.159 348 M HA -0.169 4.311 4.480 0.000 0.000 0.263 348 M C 2.067 178.489 176.300 0.203 0.000 1.063 348 M CA 1.203 56.545 55.300 0.071 0.000 1.110 348 M CB -0.123 32.344 32.600 -0.222 0.000 1.374 348 M HN 0.243 nan 8.290 nan 0.000 0.411 349 L N -0.193 121.025 121.223 -0.010 0.000 2.141 349 L HA -0.240 4.100 4.340 0.000 0.000 0.209 349 L C 2.382 179.288 176.870 0.061 0.000 1.094 349 L CA 1.490 56.346 54.840 0.027 0.000 0.763 349 L CB -0.279 41.739 42.059 -0.068 0.000 0.908 349 L HN 0.431 nan 8.230 nan 0.000 0.437 350 Q N -0.642 119.179 119.800 0.034 0.000 2.049 350 Q HA -0.038 4.302 4.340 0.000 0.000 0.198 350 Q C 1.320 177.322 176.000 0.003 0.000 0.971 350 Q CA 0.763 56.574 55.803 0.013 0.000 0.833 350 Q CB -0.311 28.423 28.738 -0.007 0.000 0.896 350 Q HN 0.534 nan 8.270 nan 0.000 0.434 351 G N 0.101 108.933 108.800 0.053 0.000 2.680 351 G HA2 0.052 4.012 3.960 0.000 0.000 0.274 351 G HA3 0.052 4.012 3.960 0.000 0.000 0.274 351 G C 0.025 174.713 174.900 -0.355 0.000 1.292 351 G CA 0.244 45.196 45.100 -0.248 0.000 1.007 351 G HN 0.482 nan 8.290 nan 0.000 0.578 352 N N -1.044 117.271 118.700 -0.643 0.000 3.040 352 N HA 0.426 5.166 4.740 0.000 0.000 0.305 352 N C 0.304 175.591 175.510 -0.372 0.000 1.611 352 N CA -0.519 52.318 53.050 -0.355 0.000 1.049 352 N CB -0.075 nan 38.487 nan 0.000 1.342 352 N HN 0.536 nan 8.380 nan 0.000 0.497 353 Y N -0.368 119.939 120.300 0.011 0.000 2.462 353 Y HA 0.378 4.928 4.550 0.000 0.000 0.261 353 Y C 2.014 177.795 175.900 -0.198 0.000 1.146 353 Y CA 0.106 58.196 58.100 -0.016 0.000 1.283 353 Y CB 0.514 39.035 38.460 0.103 0.000 1.090 353 Y HN 0.558 nan 8.280 nan 0.000 0.526 354 G N -0.630 108.104 108.800 -0.111 0.000 2.149 354 G HA2 -0.301 3.660 3.960 0.000 0.000 0.235 354 G HA3 -0.301 3.660 3.960 0.000 0.000 0.235 354 G C -0.486 174.109 174.900 -0.509 0.000 1.018 354 G CA -0.488 44.407 45.100 -0.341 0.000 0.728 354 G HN 0.265 nan 8.290 nan 0.000 0.508 355 Y N 0.551 120.780 120.300 -0.118 0.000 2.299 355 Y HA 0.534 5.084 4.550 0.000 0.000 0.326 355 Y C 1.081 176.942 175.900 -0.066 0.000 1.164 355 Y CA -0.207 57.846 58.100 -0.077 0.000 1.234 355 Y CB 0.983 39.459 38.460 0.028 0.000 1.219 355 Y HN 0.299 nan 8.280 nan 0.000 0.497 356 Q N 3.022 122.895 119.800 0.121 0.000 2.307 356 Q HA 0.355 4.695 4.340 0.000 0.000 0.262 356 Q C -0.393 175.661 176.000 0.090 0.000 0.961 356 Q CA -1.068 54.780 55.803 0.076 0.000 0.882 356 Q CB 1.897 30.675 28.738 0.068 0.000 1.264 356 Q HN 0.364 nan 8.270 nan 0.000 0.446 357 R N 4.036 124.572 120.500 0.061 0.000 2.210 357 R HA 0.340 4.680 4.340 0.000 0.000 0.338 357 R C -1.250 175.033 176.300 -0.027 0.000 1.062 357 R CA 0.033 56.167 56.100 0.057 0.000 0.902 357 R CB -0.094 30.262 30.300 0.093 0.000 1.050 357 R HN 0.665 nan 8.270 nan 0.000 0.461 358 L N 3.574 124.661 121.223 -0.226 0.000 2.304 358 L HA 0.606 4.946 4.340 0.000 0.000 0.268 358 L C -0.318 176.402 176.870 -0.249 0.000 1.010 358 L CA -0.960 53.636 54.840 -0.407 0.000 0.813 358 L CB 2.045 43.532 42.059 -0.953 0.000 1.315 358 L HN 0.521 nan 8.230 nan 0.000 0.445 359 W N 1.864 123.060 121.300 -0.173 0.000 2.883 359 W HA 0.324 4.984 4.660 0.000 0.000 0.335 359 W C -1.554 175.131 176.519 0.278 0.000 1.083 359 W CA -0.584 56.812 57.345 0.084 0.000 1.233 359 W CB 1.984 31.454 29.460 0.016 0.000 1.412 359 W HN 0.438 nan 8.180 nan 0.000 0.490 360 N N 3.680 122.180 118.700 -0.334 0.000 2.444 360 N HA 0.051 4.791 4.740 0.000 0.000 0.262 360 N C -0.209 174.890 175.510 -0.685 0.000 0.974 360 N CA 0.166 53.021 53.050 -0.324 0.000 0.933 360 N CB 1.316 39.546 38.487 -0.429 0.000 1.137 360 N HN 0.442 nan 8.380 nan 0.000 0.498 361 D N 2.257 122.517 120.400 -0.233 0.000 2.349 361 D HA 0.066 4.706 4.640 0.000 0.000 0.224 361 D C 1.017 177.248 176.300 -0.115 0.000 1.029 361 D CA 0.704 54.650 54.000 -0.091 0.000 0.879 361 D CB 0.588 41.505 40.800 0.196 0.000 0.906 361 D HN 0.400 nan 8.370 nan 0.000 0.528 362 K N -1.051 119.256 120.400 -0.155 0.000 2.121 362 K HA 0.033 4.354 4.320 0.000 0.000 0.203 362 K C 2.076 178.621 176.600 -0.093 0.000 1.041 362 K CA 1.176 57.416 56.287 -0.078 0.000 0.969 362 K CB -0.712 31.762 32.500 -0.043 0.000 0.799 362 K HN 0.229 nan 8.250 nan 0.000 0.456 363 T N -0.419 113.982 114.554 -0.255 0.000 3.055 363 T HA 0.010 4.360 4.350 0.000 0.000 0.265 363 T C 0.478 174.915 174.700 -0.438 0.000 1.111 363 T CA 0.255 62.162 62.100 -0.321 0.000 1.118 363 T CB -0.041 68.497 68.868 -0.550 0.000 0.909 363 T HN -0.004 nan 8.240 nan 0.000 0.501 364 K N 2.073 122.091 120.400 -0.637 0.000 3.125 364 K HA -0.119 4.202 4.320 0.000 0.000 0.268 364 K C 0.050 176.061 176.600 -0.982 0.000 1.078 364 K CA 1.288 57.081 56.287 -0.824 0.000 0.775 364 K CB -2.790 29.397 32.500 -0.522 0.000 1.253 364 K HN 0.913 nan 8.250 nan 0.000 0.486 365 T N -2.497 111.272 114.554 -1.308 0.000 2.903 365 T HA 0.707 5.058 4.350 0.000 0.000 0.299 365 T C -2.953 171.293 174.700 -0.757 0.000 1.093 365 T CA -1.800 59.789 62.100 -0.851 0.000 1.002 365 T CB 3.799 72.388 68.868 -0.465 0.000 1.127 365 T HN -0.153 nan 8.240 nan 0.000 0.488 366 P HA 0.527 nan 4.420 nan 0.000 0.281 366 P C -1.635 175.676 177.300 0.019 0.000 1.264 366 P CA -0.477 62.613 63.100 -0.016 0.000 0.824 366 P CB 0.684 32.267 31.700 -0.194 0.000 1.092 367 Y N -1.797 118.516 120.300 0.022 0.000 2.624 367 Y HA 0.634 5.185 4.550 0.000 0.000 0.334 367 Y C -1.718 174.314 175.900 0.219 0.000 1.155 367 Y CA -1.442 56.701 58.100 0.071 0.000 1.046 367 Y CB 0.511 38.956 38.460 -0.025 0.000 1.316 367 Y HN 0.110 nan 8.280 nan 0.000 0.457 368 L N 2.768 124.123 121.223 0.219 0.000 2.334 368 L HA 0.577 4.917 4.340 0.000 0.000 0.272 368 L C -1.396 175.689 176.870 0.359 0.000 1.020 368 L CA -1.188 53.757 54.840 0.174 0.000 0.812 368 L CB 1.942 43.999 42.059 -0.003 0.000 1.264 368 L HN 0.768 nan 8.230 nan 0.000 0.439 369 Y N 1.655 122.112 120.300 0.262 0.000 2.396 369 Y HA 0.307 4.857 4.550 0.000 0.000 0.332 369 Y C -0.996 175.087 175.900 0.305 0.000 1.034 369 Y CA -1.059 57.240 58.100 0.331 0.000 1.057 369 Y CB 1.062 39.690 38.460 0.280 0.000 1.220 369 Y HN 0.504 nan 8.280 nan 0.000 0.440 370 H N 6.381 125.426 119.070 -0.042 0.000 2.700 370 H HA 0.500 5.056 4.556 0.001 0.000 0.269 370 H C 0.562 175.486 175.328 -0.673 0.000 1.222 370 H CA 0.632 56.483 56.048 -0.329 0.000 1.254 370 H CB 1.151 30.780 29.762 -0.220 0.000 1.413 370 H HN 0.973 nan 8.280 nan 0.000 0.507 371 A N 3.976 126.186 122.820 -1.016 0.000 1.917 371 A HA -0.250 4.070 4.320 0.000 0.000 0.219 371 A C 2.284 179.732 177.584 -0.227 0.000 1.182 371 A CA 1.886 53.419 52.037 -0.840 0.000 0.633 371 A CB -0.381 18.329 19.000 -0.484 0.000 0.819 371 A HN 0.785 nan 8.150 nan 0.000 0.448 372 Q N -0.485 119.245 119.800 -0.116 0.000 1.891 372 Q HA -0.216 4.124 4.340 0.000 0.000 0.214 372 Q C 1.325 177.417 176.000 0.153 0.000 0.995 372 Q CA 1.958 57.805 55.803 0.074 0.000 0.866 372 Q CB -0.228 28.585 28.738 0.126 0.000 0.931 372 Q HN 0.645 nan 8.270 nan 0.000 0.422 373 N N -0.305 118.531 118.700 0.227 0.000 2.571 373 N HA 0.065 4.805 4.740 0.000 0.000 0.189 373 N C -0.017 175.498 175.510 0.008 0.000 1.154 373 N CA 0.967 53.985 53.050 -0.054 0.000 0.907 373 N CB 0.174 38.422 38.487 -0.398 0.000 0.977 373 N HN 0.537 nan 8.380 nan 0.000 0.449 374 G N 0.022 108.885 108.800 0.105 0.000 2.298 374 G HA2 -0.244 3.716 3.960 0.000 0.000 0.287 374 G HA3 -0.244 3.716 3.960 0.000 0.000 0.287 374 G C -0.668 174.368 174.900 0.226 0.000 1.075 374 G CA -0.161 45.045 45.100 0.178 0.000 0.960 374 G HN 0.135 nan 8.290 nan 0.000 0.502 375 L N -0.688 120.720 121.223 0.309 0.000 2.330 375 L HA 0.922 5.263 4.340 0.000 0.000 0.271 375 L C -0.055 177.183 176.870 0.614 0.000 1.013 375 L CA -1.676 53.410 54.840 0.410 0.000 0.816 375 L CB 1.664 43.965 42.059 0.403 0.000 1.287 375 L HN 0.236 nan 8.230 nan 0.000 0.435 376 F N 2.290 122.468 119.950 0.381 0.000 2.561 376 F HA 0.758 5.285 4.527 0.000 0.000 0.313 376 F C -1.227 174.775 175.800 0.336 0.000 1.126 376 F CA -0.699 57.495 58.000 0.324 0.000 0.918 376 F CB 1.666 40.719 39.000 0.088 0.000 1.199 376 F HN 0.095 nan 8.300 nan 0.000 0.444 377 V N 4.402 124.041 119.914 -0.459 0.000 2.531 377 V HA 0.473 4.593 4.120 0.000 0.000 0.301 377 V C -0.425 175.387 176.094 -0.471 0.000 1.034 377 V CA -0.728 61.395 62.300 -0.294 0.000 0.865 377 V CB 1.741 33.477 31.823 -0.145 0.000 0.995 377 V HN 0.839 nan 8.190 nan 0.000 0.424 378 T N 5.174 119.592 114.554 -0.227 0.000 2.771 378 T HA 0.771 5.121 4.350 0.000 0.000 0.281 378 T C -0.946 173.872 174.700 0.197 0.000 0.982 378 T CA -0.179 61.890 62.100 -0.052 0.000 0.978 378 T CB 0.524 69.416 68.868 0.041 0.000 0.930 378 T HN 0.843 nan 8.240 nan 0.000 0.447 379 Y N 1.459 121.746 120.300 -0.022 0.000 2.764 379 Y HA 0.791 5.342 4.550 0.001 0.000 0.331 379 Y C -1.647 174.242 175.900 -0.019 0.000 1.280 379 Y CA -1.633 56.446 58.100 -0.035 0.000 1.065 379 Y CB 0.428 38.870 38.460 -0.031 0.000 1.319 379 Y HN 0.493 nan 8.280 nan 0.000 0.453 380 D N 0.298 120.582 120.400 -0.194 0.000 2.419 380 D HA 0.549 5.189 4.640 0.000 0.000 0.234 380 D C -1.394 174.577 176.300 -0.549 0.000 1.014 380 D CA -0.103 53.676 54.000 -0.369 0.000 0.919 380 D CB 1.952 42.668 40.800 -0.139 0.000 1.366 380 D HN 0.732 nan 8.370 nan 0.000 0.490 381 D N -0.984 118.963 120.400 -0.756 0.000 2.812 381 D HA 0.400 5.040 4.640 0.000 0.000 0.318 381 D C 0.396 176.149 176.300 -0.911 0.000 1.234 381 D CA -0.776 52.728 54.000 -0.826 0.000 0.989 381 D CB 0.248 40.913 40.800 -0.225 0.000 1.442 381 D HN 0.284 nan 8.370 nan 0.000 0.537 382 A N -0.550 121.922 122.820 -0.579 0.000 2.024 382 A HA -0.183 4.137 4.320 0.000 0.000 0.220 382 A C 1.887 179.466 177.584 -0.009 0.000 1.164 382 A CA 2.406 54.296 52.037 -0.246 0.000 0.643 382 A CB -0.903 18.015 19.000 -0.137 0.000 0.806 382 A HN 0.623 nan 8.150 nan 0.000 0.451 383 E N 0.354 120.519 120.200 -0.058 0.000 2.076 383 E HA -0.106 4.244 4.350 0.000 0.000 0.190 383 E C 2.210 178.972 176.600 0.270 0.000 0.979 383 E CA 1.512 57.917 56.400 0.008 0.000 0.807 383 E CB -0.242 29.352 29.700 -0.176 0.000 0.761 383 E HN 0.646 nan 8.360 nan 0.000 0.454 384 S N -0.322 115.574 115.700 0.326 0.000 2.423 384 S HA -0.105 4.365 4.470 0.000 0.000 0.231 384 S C 1.707 176.594 174.600 0.478 0.000 1.014 384 S CA 0.608 59.095 58.200 0.479 0.000 0.965 384 S CB -0.531 62.771 63.200 0.170 0.000 0.785 384 S HN 0.200 nan 8.310 nan 0.000 0.495 385 F N 2.383 122.430 119.950 0.162 0.000 2.365 385 F HA 0.232 4.759 4.527 0.000 0.000 0.300 385 F C 2.236 178.074 175.800 0.063 0.000 1.090 385 F CA -0.086 58.003 58.000 0.150 0.000 1.408 385 F CB -0.713 38.376 39.000 0.149 0.000 1.060 385 F HN 0.277 nan 8.300 nan 0.000 0.534 386 K N -0.676 119.720 120.400 -0.006 0.000 2.026 386 K HA -0.199 4.121 4.320 0.000 0.000 0.208 386 K C 1.987 178.397 176.600 -0.317 0.000 1.048 386 K CA 1.785 57.719 56.287 -0.588 0.000 0.929 386 K CB -0.502 31.555 32.500 -0.739 0.000 0.713 386 K HN 0.218 nan 8.250 nan 0.000 0.439 387 Y N 1.329 121.687 120.300 0.097 0.000 2.200 387 Y HA -0.139 4.411 4.550 0.001 0.000 0.290 387 Y C 2.188 178.184 175.900 0.160 0.000 1.137 387 Y CA 1.190 59.383 58.100 0.154 0.000 1.163 387 Y CB -0.167 38.406 38.460 0.188 0.000 0.988 387 Y HN -0.045 nan 8.280 nan 0.000 0.518 388 K N -0.098 120.469 120.400 0.279 0.000 2.097 388 K HA -0.122 4.198 4.320 0.000 0.000 0.206 388 K C 2.346 179.099 176.600 0.255 0.000 1.049 388 K CA 1.072 57.485 56.287 0.210 0.000 0.933 388 K CB -0.319 32.285 32.500 0.173 0.000 0.717 388 K HN 0.290 nan 8.250 nan 0.000 0.442 389 A N 1.667 124.590 122.820 0.171 0.000 1.929 389 A HA -0.174 4.146 4.320 0.000 0.000 0.216 389 A C 2.035 179.786 177.584 0.278 0.000 1.176 389 A CA 1.469 53.594 52.037 0.148 0.000 0.628 389 A CB -0.277 18.590 19.000 -0.221 0.000 0.816 389 A HN 0.211 nan 8.150 nan 0.000 0.444 390 K N -1.783 118.733 120.400 0.194 0.000 2.097 390 K HA -0.177 4.143 4.320 0.000 0.000 0.205 390 K C 1.875 178.632 176.600 0.261 0.000 1.050 390 K CA 1.502 57.911 56.287 0.204 0.000 0.938 390 K CB -0.386 32.196 32.500 0.137 0.000 0.718 390 K HN 0.492 nan 8.250 nan 0.000 0.442 391 Y N 1.326 121.738 120.300 0.186 0.000 2.128 391 Y HA -0.211 4.340 4.550 0.001 0.000 0.284 391 Y C 1.773 177.777 175.900 0.172 0.000 1.154 391 Y CA 1.823 60.032 58.100 0.182 0.000 1.149 391 Y CB -0.080 38.456 38.460 0.127 0.000 0.976 391 Y HN 0.017 nan 8.280 nan 0.000 0.505 392 I N 0.164 120.954 120.570 0.368 0.000 2.264 392 I HA -0.357 3.813 4.170 0.000 0.000 0.248 392 I C 2.272 178.484 176.117 0.158 0.000 1.111 392 I CA 1.701 63.164 61.300 0.272 0.000 1.382 392 I CB -0.328 37.900 38.000 0.379 0.000 1.060 392 I HN 0.224 nan 8.210 nan 0.000 0.418 393 K N 0.109 120.634 120.400 0.209 0.000 2.031 393 K HA -0.153 4.167 4.320 0.000 0.000 0.205 393 K C 2.171 178.810 176.600 0.066 0.000 1.049 393 K CA 1.126 57.502 56.287 0.148 0.000 0.939 393 K CB -0.170 32.453 32.500 0.206 0.000 0.717 393 K HN 0.357 nan 8.250 nan 0.000 0.438 394 Q N 0.458 120.282 119.800 0.039 0.000 2.084 394 Q HA -0.134 4.206 4.340 0.000 0.000 0.202 394 Q C 1.842 177.796 176.000 -0.076 0.000 0.978 394 Q CA 1.089 56.883 55.803 -0.015 0.000 0.844 394 Q CB 0.157 28.881 28.738 -0.023 0.000 0.898 394 Q HN 0.234 nan 8.270 nan 0.000 0.426 395 Q N 0.084 119.784 119.800 -0.166 0.000 2.444 395 Q HA -0.008 4.333 4.340 0.000 0.000 0.206 395 Q C -0.224 175.747 176.000 -0.048 0.000 0.948 395 Q CA 0.275 55.978 55.803 -0.166 0.000 0.946 395 Q CB 0.499 29.029 28.738 -0.347 0.000 1.027 395 Q HN 0.390 nan 8.270 nan 0.000 0.513 396 Q N 0.379 120.170 119.800 -0.014 0.000 2.468 396 Q HA -0.186 4.154 4.340 0.000 0.000 0.289 396 Q C -0.687 175.329 176.000 0.026 0.000 1.299 396 Q CA 0.195 56.005 55.803 0.012 0.000 0.838 396 Q CB -1.646 27.100 28.738 0.014 0.000 1.195 396 Q HN 0.354 nan 8.270 nan 0.000 0.456 397 L N -1.709 119.534 121.223 0.032 0.000 2.456 397 L HA 0.269 4.609 4.340 0.000 0.000 0.257 397 L C 1.797 178.686 176.870 0.030 0.000 1.162 397 L CA 0.505 55.376 54.840 0.052 0.000 0.808 397 L CB 0.254 42.364 42.059 0.084 0.000 1.136 397 L HN 0.330 nan 8.230 nan 0.000 0.466 398 G N -0.413 108.423 108.800 0.060 0.000 2.534 398 G HA2 0.357 4.317 3.960 0.000 0.000 0.217 398 G HA3 0.357 4.317 3.960 0.000 0.000 0.217 398 G C 0.580 175.415 174.900 -0.108 0.000 1.128 398 G CA 0.747 45.893 45.100 0.076 0.000 0.784 398 G HN 0.963 nan 8.290 nan 0.000 0.542 399 G N -2.005 106.710 108.800 -0.142 0.000 2.334 399 G HA2 0.334 4.294 3.960 0.000 0.000 0.249 399 G HA3 0.334 4.294 3.960 0.000 0.000 0.249 399 G C -1.675 173.182 174.900 -0.071 0.000 1.327 399 G CA 0.080 45.029 45.100 -0.250 0.000 0.979 399 G HN 0.794 nan 8.290 nan 0.000 0.471 400 V N 1.303 121.212 119.914 -0.008 0.000 2.823 400 V HA 0.878 4.998 4.120 0.000 0.000 0.312 400 V C -0.533 175.616 176.094 0.091 0.000 1.072 400 V CA -0.712 61.661 62.300 0.123 0.000 0.937 400 V CB 1.801 33.791 31.823 0.279 0.000 1.013 400 V HN 1.122 nan 8.190 nan 0.000 0.430 401 M N 6.612 126.291 119.600 0.132 0.000 2.530 401 M HA 0.679 5.159 4.480 0.000 0.000 0.307 401 M C -2.073 174.393 176.300 0.277 0.000 1.161 401 M CA -0.529 54.836 55.300 0.110 0.000 0.903 401 M CB 1.973 34.641 32.600 0.113 0.000 1.711 401 M HN 0.724 nan 8.290 nan 0.000 0.451 402 F N 1.795 121.803 119.950 0.097 0.000 2.601 402 F HA 0.731 5.259 4.527 0.000 0.000 0.309 402 F C -1.997 173.864 175.800 0.103 0.000 1.089 402 F CA -1.117 56.875 58.000 -0.012 0.000 0.940 402 F CB 1.156 39.804 39.000 -0.587 0.000 1.273 402 F HN 0.682 nan 8.300 nan 0.000 0.450 403 W N 5.393 126.752 121.300 0.098 0.000 2.411 403 W HA 0.561 5.221 4.660 0.000 0.000 0.317 403 W C -1.887 174.712 176.519 0.133 0.000 1.030 403 W CA -0.659 56.733 57.345 0.078 0.000 1.239 403 W CB 1.458 30.862 29.460 -0.093 0.000 1.304 403 W HN 1.019 nan 8.180 nan 0.000 0.437 404 H N 1.982 120.839 119.070 -0.355 0.000 2.977 404 H HA 0.387 4.943 4.556 0.000 0.000 0.350 404 H C 0.556 175.735 175.328 -0.247 0.000 1.238 404 H CA -0.938 54.783 56.048 -0.543 0.000 1.124 404 H CB 1.203 30.163 29.762 -1.336 0.000 1.866 404 H HN 0.264 nan 8.280 nan 0.000 0.550 405 L N 0.467 121.695 121.223 0.009 0.000 2.051 405 L HA -0.150 4.190 4.340 0.000 0.000 0.214 405 L C 2.498 178.989 176.870 -0.633 0.000 1.076 405 L CA 1.950 56.807 54.840 0.029 0.000 0.758 405 L CB -0.659 41.560 42.059 0.267 0.000 0.890 405 L HN 1.030 nan 8.230 nan 0.000 0.433 406 G N -1.251 107.043 108.800 -0.845 0.000 2.535 406 G HA2 -0.201 3.760 3.960 0.000 0.000 0.218 406 G HA3 -0.201 3.760 3.960 0.000 0.000 0.218 406 G C 1.335 175.822 174.900 -0.688 0.000 1.122 406 G CA 0.229 44.545 45.100 -1.305 0.000 0.769 406 G HN 0.484 nan 8.290 nan 0.000 0.549 407 Q N -0.285 119.175 119.800 -0.567 0.000 2.319 407 Q HA 0.126 4.466 4.340 0.000 0.000 0.202 407 Q C 0.064 176.060 176.000 -0.006 0.000 0.896 407 Q CA -0.453 55.204 55.803 -0.243 0.000 0.942 407 Q CB 0.592 29.195 28.738 -0.226 0.000 1.083 407 Q HN 0.255 nan 8.270 nan 0.000 0.510 408 D N 1.756 122.179 120.400 0.038 0.000 2.357 408 D HA -0.013 4.627 4.640 0.000 0.000 0.242 408 D C -0.085 176.256 176.300 0.070 0.000 1.153 408 D CA -0.183 53.847 54.000 0.051 0.000 0.918 408 D CB 0.714 41.584 40.800 0.117 0.000 1.181 408 D HN 0.108 nan 8.370 nan 0.000 0.435 409 N N 1.032 119.799 118.700 0.111 0.000 2.288 409 N HA -0.020 4.721 4.740 0.000 0.000 0.237 409 N C 0.771 176.340 175.510 0.099 0.000 1.311 409 N CA -0.305 52.786 53.050 0.069 0.000 0.909 409 N CB 0.339 38.857 38.487 0.051 0.000 1.167 409 N HN 0.232 nan 8.380 nan 0.000 0.476 410 R N -0.242 120.309 120.500 0.085 0.000 2.127 410 R HA -0.031 4.309 4.340 0.000 0.000 0.238 410 R C 0.702 177.065 176.300 0.105 0.000 1.134 410 R CA 1.436 57.603 56.100 0.112 0.000 0.975 410 R CB -0.610 29.733 30.300 0.073 0.000 0.865 410 R HN 0.630 nan 8.270 nan 0.000 0.447 411 N N -0.446 118.298 118.700 0.072 0.000 2.467 411 N HA 0.053 4.793 4.740 0.000 0.000 0.184 411 N C 0.336 175.885 175.510 0.065 0.000 1.106 411 N CA 1.131 54.216 53.050 0.058 0.000 0.892 411 N CB 0.390 38.896 38.487 0.032 0.000 0.969 411 N HN 0.417 nan 8.380 nan 0.000 0.454 412 G N 1.472 110.322 108.800 0.083 0.000 2.225 412 G HA2 -0.245 3.715 3.960 0.000 0.000 0.264 412 G HA3 -0.245 3.715 3.960 0.000 0.000 0.264 412 G C 0.403 175.300 174.900 -0.005 0.000 1.060 412 G CA 0.360 45.507 45.100 0.078 0.000 0.833 412 G HN 0.203 nan 8.290 nan 0.000 0.498 413 D N -0.084 120.294 120.400 -0.036 0.000 2.144 413 D HA -0.082 4.558 4.640 0.000 0.000 0.199 413 D C 2.742 178.913 176.300 -0.216 0.000 0.984 413 D CA 1.062 55.004 54.000 -0.097 0.000 0.834 413 D CB -0.026 40.744 40.800 -0.051 0.000 0.955 413 D HN 0.550 nan 8.370 nan 0.000 0.465 414 L N 0.104 121.111 121.223 -0.360 0.000 2.017 414 L HA -0.156 4.184 4.340 0.000 0.000 0.208 414 L C 2.472 179.179 176.870 -0.272 0.000 1.073 414 L CA 0.642 55.164 54.840 -0.531 0.000 0.745 414 L CB -0.469 40.821 42.059 -1.282 0.000 0.894 414 L HN 0.100 nan 8.230 nan 0.000 0.432 415 L N 0.411 121.533 121.223 -0.168 0.000 2.083 415 L HA -0.118 4.223 4.340 0.000 0.000 0.209 415 L C 2.592 179.419 176.870 -0.071 0.000 1.083 415 L CA 1.959 56.774 54.840 -0.043 0.000 0.752 415 L CB -0.686 41.435 42.059 0.104 0.000 0.899 415 L HN 0.129 nan 8.230 nan 0.000 0.433 416 A N -0.434 122.327 122.820 -0.099 0.000 1.933 416 A HA -0.047 4.273 4.320 0.000 0.000 0.218 416 A C 2.454 179.865 177.584 -0.288 0.000 1.175 416 A CA 1.643 53.602 52.037 -0.130 0.000 0.628 416 A CB -1.086 17.856 19.000 -0.098 0.000 0.814 416 A HN 0.595 nan 8.150 nan 0.000 0.444 417 A N -0.076 122.508 122.820 -0.395 0.000 1.877 417 A HA -0.039 4.282 4.320 0.000 0.000 0.216 417 A C 2.159 179.063 177.584 -1.133 0.000 1.186 417 A CA 1.455 53.000 52.037 -0.820 0.000 0.620 417 A CB -0.645 17.999 19.000 -0.595 0.000 0.822 417 A HN 0.463 nan 8.150 nan 0.000 0.443 418 L N -0.492 120.390 121.223 -0.568 0.000 2.042 418 L HA -0.244 4.096 4.340 0.000 0.000 0.210 418 L C 2.459 179.100 176.870 -0.381 0.000 1.076 418 L CA 1.986 56.548 54.840 -0.463 0.000 0.749 418 L CB -0.639 41.316 42.059 -0.173 0.000 0.893 418 L HN 0.549 nan 8.230 nan 0.000 0.432 419 D N -0.088 120.200 120.400 -0.186 0.000 2.117 419 D HA -0.239 4.401 4.640 0.000 0.000 0.197 419 D C 2.313 178.554 176.300 -0.098 0.000 0.987 419 D CA 1.185 55.170 54.000 -0.024 0.000 0.829 419 D CB 0.040 40.845 40.800 0.009 0.000 0.961 419 D HN 0.070 nan 8.370 nan 0.000 0.460 420 R N -1.156 119.168 120.500 -0.293 0.000 2.073 420 R HA -0.188 4.152 4.340 0.000 0.000 0.234 420 R C 1.974 178.152 176.300 -0.205 0.000 1.134 420 R CA 1.353 57.298 56.100 -0.258 0.000 0.952 420 R CB -0.452 29.604 30.300 -0.406 0.000 0.850 420 R HN 0.265 nan 8.270 nan 0.000 0.433 421 Y N -0.340 119.660 120.300 -0.501 0.000 2.274 421 Y HA -0.157 4.393 4.550 0.000 0.000 0.290 421 Y C 1.923 177.724 175.900 -0.167 0.000 1.145 421 Y CA 0.723 58.481 58.100 -0.570 0.000 1.203 421 Y CB -0.535 37.495 38.460 -0.715 0.000 0.984 421 Y HN 0.072 nan 8.280 nan 0.000 0.533 422 F N -0.719 119.325 119.950 0.157 0.000 2.446 422 F HA 0.050 4.577 4.527 0.000 0.000 0.292 422 F C 1.651 177.527 175.800 0.127 0.000 1.096 422 F CA 0.583 58.669 58.000 0.143 0.000 1.438 422 F CB -0.257 38.801 39.000 0.098 0.000 1.107 422 F HN 0.036 nan 8.300 nan 0.000 0.546 423 N N -0.506 118.359 118.700 0.274 0.000 2.239 423 N HA 0.226 4.967 4.740 0.000 0.000 0.208 423 N C 0.463 176.064 175.510 0.151 0.000 1.200 423 N CA 0.292 53.458 53.050 0.193 0.000 0.895 423 N CB 0.362 38.944 38.487 0.158 0.000 1.085 423 N HN -0.002 nan 8.380 nan 0.000 0.500 424 A N 0.979 123.889 122.820 0.150 0.000 2.454 424 A HA 0.533 4.853 4.320 0.000 0.000 0.260 424 A C 1.371 179.050 177.584 0.159 0.000 1.106 424 A CA 0.153 52.272 52.037 0.137 0.000 0.780 424 A CB 0.395 19.472 19.000 0.128 0.000 1.044 424 A HN 0.246 nan 8.150 nan 0.000 0.498 425 A N 2.257 125.145 122.820 0.112 0.000 2.067 425 A HA -0.062 4.258 4.320 0.000 0.000 0.219 425 A C 1.250 178.889 177.584 0.092 0.000 1.158 425 A CA 1.662 53.755 52.037 0.094 0.000 0.661 425 A CB -0.367 18.673 19.000 0.067 0.000 0.801 425 A HN 0.868 nan 8.150 nan 0.000 0.452 426 D N -2.679 117.786 120.400 0.107 0.000 2.325 426 D HA 0.102 4.742 4.640 0.000 0.000 0.225 426 D C -0.054 176.336 176.300 0.150 0.000 1.096 426 D CA -0.288 53.771 54.000 0.099 0.000 0.844 426 D CB -0.496 40.352 40.800 0.080 0.000 0.925 426 D HN 0.427 nan 8.370 nan 0.000 0.513 427 Y N 1.017 121.347 120.300 0.050 0.000 2.364 427 Y HA 0.466 5.016 4.550 0.001 0.000 0.340 427 Y C -1.579 174.344 175.900 0.038 0.000 0.975 427 Y CA -1.568 56.566 58.100 0.057 0.000 1.089 427 Y CB 1.760 40.288 38.460 0.113 0.000 1.192 427 Y HN -0.172 nan 8.280 nan 0.000 0.454 428 D N 4.565 124.560 120.400 -0.675 0.000 2.402 428 D HA 0.161 4.802 4.640 0.000 0.000 0.252 428 D C -0.815 175.083 176.300 -0.671 0.000 1.294 428 D CA -0.586 53.111 54.000 -0.505 0.000 0.948 428 D CB 0.776 41.439 40.800 -0.228 0.000 1.202 428 D HN 0.672 nan 8.370 nan 0.000 0.561 429 D N 1.439 121.461 120.400 -0.630 0.000 2.358 429 D HA -0.032 4.608 4.640 0.000 0.000 0.224 429 D C 1.324 177.514 176.300 -0.183 0.000 1.123 429 D CA 0.091 53.840 54.000 -0.417 0.000 0.833 429 D CB -0.042 40.599 40.800 -0.265 0.000 0.946 429 D HN 0.200 nan 8.370 nan 0.000 0.505 430 S N 0.160 115.772 115.700 -0.147 0.000 2.420 430 S HA -0.244 4.226 4.470 0.000 0.000 0.237 430 S C 1.440 176.012 174.600 -0.047 0.000 1.023 430 S CA 0.857 59.017 58.200 -0.067 0.000 0.991 430 S CB -0.324 62.843 63.200 -0.054 0.000 0.792 430 S HN 0.216 nan 8.310 nan 0.000 0.488 431 Q N 0.280 120.040 119.800 -0.066 0.000 2.179 431 Q HA 0.417 4.757 4.340 0.000 0.000 0.213 431 Q C -0.210 175.778 176.000 -0.020 0.000 0.833 431 Q CA -0.296 55.487 55.803 -0.034 0.000 0.990 431 Q CB 0.102 28.819 28.738 -0.036 0.000 1.132 431 Q HN 0.538 nan 8.270 nan 0.000 0.493 432 L N 2.671 123.869 121.223 -0.043 0.000 2.477 432 L HA 0.091 4.431 4.340 0.000 0.000 0.272 432 L C 0.001 176.929 176.870 0.097 0.000 1.157 432 L CA 0.428 55.255 54.840 -0.022 0.000 0.889 432 L CB 0.451 42.431 42.059 -0.131 0.000 1.158 432 L HN -0.053 nan 8.230 nan 0.000 0.473 433 D N 5.608 126.113 120.400 0.175 0.000 2.316 433 D HA 0.043 4.683 4.640 0.000 0.000 0.245 433 D C 0.759 177.271 176.300 0.353 0.000 1.171 433 D CA -0.377 53.749 54.000 0.210 0.000 0.856 433 D CB 1.070 41.965 40.800 0.159 0.000 1.090 433 D HN 0.593 nan 8.370 nan 0.000 0.476 434 M N 2.561 122.344 119.600 0.304 0.000 2.686 434 M HA 0.120 4.600 4.480 0.000 0.000 0.246 434 M C 1.255 177.687 176.300 0.220 0.000 1.096 434 M CA 0.275 55.812 55.300 0.394 0.000 1.076 434 M CB -1.300 31.535 32.600 0.391 0.000 1.504 434 M HN 0.649 nan 8.290 nan 0.000 0.524 435 G N 0.849 109.721 108.800 0.120 0.000 2.782 435 G HA2 -0.230 3.730 3.960 0.000 0.000 0.228 435 G HA3 -0.230 3.730 3.960 0.000 0.000 0.228 435 G C 0.270 175.131 174.900 -0.065 0.000 1.372 435 G CA 0.086 45.206 45.100 0.034 0.000 0.862 435 G HN 0.425 nan 8.290 nan 0.000 0.547 436 T N -1.453 113.065 114.554 -0.060 0.000 3.176 436 T HA 0.586 4.936 4.350 0.000 0.000 0.263 436 T C 1.307 175.943 174.700 -0.108 0.000 1.021 436 T CA 1.040 63.087 62.100 -0.088 0.000 0.905 436 T CB 0.394 69.238 68.868 -0.041 0.000 1.057 436 T HN 1.936 nan 8.240 nan 0.000 0.558 437 G N 1.600 110.325 108.800 -0.125 0.000 2.614 437 G HA2 0.461 4.422 3.960 0.000 0.000 0.239 437 G HA3 0.461 4.422 3.960 0.000 0.000 0.239 437 G C -0.064 174.774 174.900 -0.103 0.000 1.240 437 G CA -0.811 44.257 45.100 -0.054 0.000 0.842 437 G HN 0.586 nan 8.290 nan 0.000 0.584 438 L N 0.970 122.197 121.223 0.008 0.000 2.462 438 L HA 0.237 4.577 4.340 0.000 0.000 0.272 438 L C 0.801 177.739 176.870 0.115 0.000 1.166 438 L CA -0.426 54.431 54.840 0.029 0.000 0.880 438 L CB 0.310 42.399 42.059 0.050 0.000 1.142 438 L HN 0.361 nan 8.230 nan 0.000 0.473 439 R N 1.890 122.428 120.500 0.064 0.000 2.500 439 R HA 0.267 4.607 4.340 0.000 0.000 0.277 439 R C -0.812 175.625 176.300 0.228 0.000 1.026 439 R CA -0.559 55.654 56.100 0.189 0.000 1.058 439 R CB 0.539 30.890 30.300 0.084 0.000 1.078 439 R HN 0.318 nan 8.270 nan 0.000 0.509 440 Y N 0.923 121.348 120.300 0.208 0.000 2.393 440 Y HA 0.110 4.661 4.550 0.000 0.000 0.338 440 Y C 0.709 176.679 175.900 0.117 0.000 1.029 440 Y CA 0.277 58.480 58.100 0.172 0.000 1.239 440 Y CB 0.856 39.432 38.460 0.194 0.000 1.170 440 Y HN 0.710 nan 8.280 nan 0.000 0.515 441 T N 1.714 116.089 114.554 -0.299 0.000 3.174 441 T HA 0.340 4.690 4.350 0.000 0.000 0.269 441 T C 0.750 175.298 174.700 -0.254 0.000 1.017 441 T CA -0.064 61.931 62.100 -0.175 0.000 0.899 441 T CB -0.438 68.357 68.868 -0.120 0.000 1.077 441 T HN 0.791 nan 8.240 nan 0.000 0.552 442 G N 0.938 109.454 108.800 -0.474 0.000 2.554 442 G HA2 0.464 4.425 3.960 0.000 0.000 0.238 442 G HA3 0.464 4.425 3.960 0.000 0.000 0.238 442 G C -0.736 174.118 174.900 -0.077 0.000 1.259 442 G CA -0.216 44.724 45.100 -0.266 0.000 0.843 442 G HN 0.421 nan 8.290 nan 0.000 0.582 443 V N 1.181 121.010 119.914 -0.142 0.000 2.531 443 V HA 0.779 4.899 4.120 0.000 0.000 0.301 443 V C 0.596 176.560 176.094 -0.217 0.000 1.034 443 V CA -0.149 62.075 62.300 -0.127 0.000 0.865 443 V CB 1.679 33.421 31.823 -0.134 0.000 0.995 443 V HN 1.124 nan 8.190 nan 0.000 0.424 444 G N 4.335 113.023 108.800 -0.188 0.000 2.571 444 G HA2 0.711 4.672 3.960 0.000 0.000 0.304 444 G HA3 0.711 4.672 3.960 0.000 0.000 0.304 444 G C -3.091 171.622 174.900 -0.312 0.000 1.314 444 G CA -1.768 43.127 45.100 -0.342 0.000 0.975 444 G HN 0.458 nan 8.290 nan 0.000 0.485 445 P HA 0.191 nan 4.420 nan 0.000 0.263 445 P C 0.735 177.951 177.300 -0.140 0.000 1.247 445 P CA 0.712 63.635 63.100 -0.297 0.000 0.876 445 P CB 0.827 32.285 31.700 -0.404 0.000 0.928 446 G N 3.549 112.311 108.800 -0.064 0.000 3.990 446 G HA2 -0.108 3.852 3.960 0.000 0.000 0.213 446 G HA3 -0.108 3.852 3.960 0.000 0.000 0.213 446 G C 0.237 175.143 174.900 0.009 0.000 0.849 446 G CA -0.291 44.811 45.100 0.002 0.000 0.857 446 G HN 0.558 nan 8.290 nan 0.000 0.484 447 N N 0.230 118.922 118.700 -0.013 0.000 2.475 447 N HA 0.277 5.017 4.740 0.000 0.000 0.272 447 N C -0.536 174.954 175.510 -0.032 0.000 1.482 447 N CA -0.329 52.720 53.050 -0.001 0.000 0.863 447 N CB 0.193 38.700 38.487 0.033 0.000 1.400 447 N HN 0.137 nan 8.380 nan 0.000 0.489 448 L N 3.130 124.321 121.223 -0.054 0.000 2.410 448 L HA 0.403 4.743 4.340 0.000 0.000 0.273 448 L C -1.873 174.966 176.870 -0.051 0.000 1.144 448 L CA -1.300 53.497 54.840 -0.072 0.000 0.863 448 L CB 0.276 42.289 42.059 -0.076 0.000 1.140 448 L HN 0.184 nan 8.230 nan 0.000 0.463 449 P HA 0.120 nan 4.420 nan 0.000 0.276 449 P C -0.441 176.831 177.300 -0.047 0.000 1.244 449 P CA -0.621 62.454 63.100 -0.042 0.000 0.801 449 P CB 0.873 32.551 31.700 -0.037 0.000 1.006 450 I N 2.124 122.669 120.570 -0.042 0.000 2.556 450 I HA 0.155 4.326 4.170 0.000 0.000 0.284 450 I C 0.974 177.068 176.117 -0.038 0.000 1.114 450 I CA 0.696 61.968 61.300 -0.047 0.000 1.418 450 I CB -0.545 37.431 38.000 -0.039 0.000 1.394 450 I HN 0.390 nan 8.210 nan 0.000 0.552 451 M N 4.602 124.178 119.600 -0.039 0.000 2.618 451 M HA 0.417 4.897 4.480 0.000 0.000 0.281 451 M C -0.699 175.593 176.300 -0.014 0.000 1.267 451 M CA -0.621 54.665 55.300 -0.023 0.000 0.845 451 M CB 2.833 35.419 32.600 -0.023 0.000 1.732 451 M HN 0.386 nan 8.290 nan 0.000 0.461 452 T N 1.153 115.709 114.554 0.003 0.000 2.881 452 T HA 0.844 5.194 4.350 0.000 0.000 0.290 452 T C -1.354 173.366 174.700 0.033 0.000 1.000 452 T CA -0.676 61.432 62.100 0.014 0.000 0.978 452 T CB 1.746 70.620 68.868 0.010 0.000 0.997 452 T HN 0.756 nan 8.240 nan 0.000 0.443 453 A N 3.918 126.768 122.820 0.049 0.000 2.606 453 A HA 0.906 5.226 4.320 0.000 0.000 0.293 453 A C -3.108 174.525 177.584 0.081 0.000 1.082 453 A CA -1.714 50.366 52.037 0.071 0.000 0.685 453 A CB 0.779 19.835 19.000 0.094 0.000 1.284 453 A HN 0.562 nan 8.150 nan 0.000 0.408 454 P HA 0.405 nan 4.420 nan 0.000 0.269 454 P C 0.021 177.390 177.300 0.115 0.000 1.209 454 P CA 0.232 63.388 63.100 0.094 0.000 0.776 454 P CB 0.649 32.413 31.700 0.105 0.000 0.876 455 A N 2.928 125.813 122.820 0.108 0.000 2.483 455 A HA 0.084 4.404 4.320 0.000 0.000 0.238 455 A C -0.246 177.432 177.584 0.157 0.000 1.070 455 A CA -0.081 52.041 52.037 0.141 0.000 0.770 455 A CB -0.584 18.487 19.000 0.119 0.000 1.008 455 A HN 0.581 nan 8.150 nan 0.000 0.497 456 Y N 2.160 122.476 120.300 0.027 0.000 2.597 456 Y HA 0.339 4.889 4.550 0.000 0.000 0.336 456 Y C -0.192 175.729 175.900 0.036 0.000 1.216 456 Y CA 0.360 58.405 58.100 -0.091 0.000 1.463 456 Y CB 0.511 38.687 38.460 -0.473 0.000 1.303 456 Y HN 0.360 nan 8.280 nan 0.000 0.576 457 V N 9.170 128.705 119.914 -0.633 0.000 2.326 457 V HA 0.300 4.420 4.120 0.000 0.000 0.281 457 V C -2.204 173.405 176.094 -0.808 0.000 1.015 457 V CA -2.103 59.900 62.300 -0.495 0.000 0.823 457 V CB 1.090 32.789 31.823 -0.206 0.000 1.009 457 V HN 0.743 nan 8.190 nan 0.000 0.436 458 P HA 0.216 nan 4.420 nan 0.000 0.266 458 P C 1.052 178.258 177.300 -0.156 0.000 1.195 458 P CA 1.297 64.233 63.100 -0.274 0.000 0.768 458 P CB 0.671 32.359 31.700 -0.020 0.000 0.838 459 G N 0.941 109.711 108.800 -0.051 0.000 2.179 459 G HA2 -0.207 3.753 3.960 0.000 0.000 0.260 459 G HA3 -0.207 3.753 3.960 0.000 0.000 0.260 459 G C 0.293 175.152 174.900 -0.068 0.000 0.977 459 G CA 0.193 45.273 45.100 -0.034 0.000 0.641 459 G HN 0.617 nan 8.290 nan 0.000 0.533 460 T N 1.211 115.689 114.554 -0.126 0.000 2.928 460 T HA 0.606 4.957 4.350 0.000 0.000 0.284 460 T C 0.140 174.733 174.700 -0.178 0.000 1.008 460 T CA 0.379 62.332 62.100 -0.245 0.000 1.057 460 T CB 1.684 70.248 68.868 -0.508 0.000 1.018 460 T HN 0.166 nan 8.240 nan 0.000 0.493 461 T N 2.745 117.153 114.554 -0.244 0.000 2.779 461 T HA 0.492 4.842 4.350 0.000 0.000 0.280 461 T C -1.048 173.499 174.700 -0.256 0.000 0.987 461 T CA -0.362 61.680 62.100 -0.096 0.000 0.966 461 T CB 0.226 69.092 68.868 -0.003 0.000 0.933 461 T HN 0.384 nan 8.240 nan 0.000 0.442 462 Y N 1.249 121.551 120.300 0.004 0.000 2.420 462 Y HA 0.633 5.183 4.550 0.000 0.000 0.334 462 Y C 0.657 176.457 175.900 -0.167 0.000 1.094 462 Y CA -1.018 57.052 58.100 -0.051 0.000 1.126 462 Y CB 1.153 39.620 38.460 0.011 0.000 1.217 462 Y HN 0.775 nan 8.280 nan 0.000 0.462 463 A N 1.969 124.783 122.820 -0.011 0.000 2.259 463 A HA 0.289 4.610 4.320 0.000 0.000 0.278 463 A C -0.248 177.269 177.584 -0.111 0.000 1.107 463 A CA -0.735 51.230 52.037 -0.120 0.000 0.828 463 A CB 0.341 19.277 19.000 -0.106 0.000 1.111 463 A HN 0.796 nan 8.150 nan 0.000 0.498 464 Q N -0.673 119.060 119.800 -0.111 0.000 2.330 464 Q HA 0.369 4.709 4.340 0.000 0.000 0.279 464 Q C 1.107 177.062 176.000 -0.076 0.000 1.024 464 Q CA 1.262 57.007 55.803 -0.096 0.000 0.900 464 Q CB 0.186 28.908 28.738 -0.028 0.000 1.221 464 Q HN 1.780 nan 8.270 nan 0.000 0.396 465 G N 2.005 110.748 108.800 -0.094 0.000 2.179 465 G HA2 -0.320 3.640 3.960 0.000 0.000 0.260 465 G HA3 -0.320 3.640 3.960 0.000 0.000 0.260 465 G C 0.180 175.069 174.900 -0.017 0.000 0.977 465 G CA 0.048 45.121 45.100 -0.045 0.000 0.641 465 G HN 1.007 nan 8.290 nan 0.000 0.533 466 A N -0.153 122.652 122.820 -0.025 0.000 2.483 466 A HA 0.655 4.975 4.320 0.000 0.000 0.238 466 A C 0.325 177.971 177.584 0.104 0.000 1.070 466 A CA 0.439 52.516 52.037 0.067 0.000 0.770 466 A CB 0.336 19.439 19.000 0.171 0.000 1.008 466 A HN 0.966 nan 8.150 nan 0.000 0.497 467 L N 2.563 123.874 121.223 0.147 0.000 2.341 467 L HA 0.665 5.005 4.340 0.000 0.000 0.278 467 L C -0.264 176.708 176.870 0.171 0.000 1.005 467 L CA -0.709 54.234 54.840 0.171 0.000 0.818 467 L CB 1.867 43.995 42.059 0.115 0.000 1.259 467 L HN 0.702 nan 8.230 nan 0.000 0.418 468 V N -0.282 119.744 119.914 0.187 0.000 3.114 468 V HA 0.813 4.933 4.120 0.000 0.000 0.308 468 V C -0.376 175.830 176.094 0.187 0.000 1.168 468 V CA -0.701 61.670 62.300 0.119 0.000 1.015 468 V CB 2.046 33.836 31.823 -0.055 0.000 1.050 468 V HN 0.732 nan 8.190 nan 0.000 0.433 469 S N 1.848 117.660 115.700 0.186 0.000 2.509 469 S HA 0.868 5.338 4.470 0.000 0.000 0.297 469 S C -1.112 173.686 174.600 0.330 0.000 1.118 469 S CA -0.540 57.803 58.200 0.239 0.000 1.074 469 S CB 1.356 64.639 63.200 0.137 0.000 1.038 469 S HN 1.714 nan 8.310 nan 0.000 0.498 470 Y N 1.244 121.674 120.300 0.217 0.000 2.424 470 Y HA 0.246 4.796 4.550 0.000 0.000 0.323 470 Y C -0.565 175.489 175.900 0.257 0.000 1.174 470 Y CA -0.516 57.651 58.100 0.112 0.000 1.060 470 Y CB 1.209 39.528 38.460 -0.236 0.000 1.314 470 Y HN 0.960 nan 8.280 nan 0.000 0.439 471 Q N 4.235 123.850 119.800 -0.309 0.000 2.416 471 Q HA -0.256 4.084 4.340 0.000 0.000 0.319 471 Q C 1.060 177.073 176.000 0.023 0.000 1.318 471 Q CA 1.466 57.150 55.803 -0.198 0.000 0.915 471 Q CB -1.628 26.931 28.738 -0.298 0.000 1.184 471 Q HN 1.573 nan 8.270 nan 0.000 0.444 472 G N -2.070 106.690 108.800 -0.067 0.000 2.199 472 G HA2 -0.330 3.631 3.960 0.000 0.000 0.254 472 G HA3 -0.330 3.631 3.960 0.000 0.000 0.254 472 G C -0.300 174.258 174.900 -0.570 0.000 0.982 472 G CA 0.408 45.328 45.100 -0.300 0.000 0.632 472 G HN 0.408 nan 8.290 nan 0.000 0.529 473 Y N -1.341 118.941 120.300 -0.029 0.000 2.605 473 Y HA 0.662 5.212 4.550 0.001 0.000 0.343 473 Y C 0.246 176.017 175.900 -0.215 0.000 1.036 473 Y CA -1.166 56.783 58.100 -0.252 0.000 1.065 473 Y CB 2.041 40.101 38.460 -0.667 0.000 1.288 473 Y HN 0.093 nan 8.280 nan 0.000 0.481 474 V N 1.320 121.149 119.914 -0.142 0.000 2.472 474 V HA 0.326 4.446 4.120 0.000 0.000 0.290 474 V C -1.245 174.737 176.094 -0.187 0.000 1.037 474 V CA -0.817 61.463 62.300 -0.033 0.000 0.908 474 V CB 0.700 32.519 31.823 -0.006 0.000 0.985 474 V HN 0.657 nan 8.190 nan 0.000 0.454 475 W N 2.622 123.950 121.300 0.047 0.000 2.844 475 W HA 0.722 5.382 4.660 0.000 0.000 0.340 475 W C -0.184 176.465 176.519 0.218 0.000 1.093 475 W CA -0.596 56.810 57.345 0.100 0.000 1.212 475 W CB 1.439 30.914 29.460 0.025 0.000 1.422 475 W HN 0.438 nan 8.180 nan 0.000 0.515 476 Q N 1.189 121.247 119.800 0.429 0.000 2.365 476 Q HA 0.531 4.871 4.340 0.000 0.000 0.269 476 Q C -0.207 175.797 176.000 0.005 0.000 1.061 476 Q CA -0.617 55.313 55.803 0.211 0.000 0.816 476 Q CB 1.938 30.725 28.738 0.083 0.000 1.325 476 Q HN 0.539 nan 8.270 nan 0.000 0.446 477 T N 0.467 114.825 114.554 -0.327 0.000 2.907 477 T HA 0.298 4.648 4.350 0.000 0.000 0.298 477 T C 0.423 174.865 174.700 -0.431 0.000 1.017 477 T CA -0.490 61.169 62.100 -0.734 0.000 1.118 477 T CB 1.109 69.445 68.868 -0.886 0.000 0.948 477 T HN 0.706 nan 8.240 nan 0.000 0.531 478 K N 1.367 121.448 120.400 -0.533 0.000 2.379 478 K HA 0.225 4.545 4.320 0.000 0.000 0.194 478 K C -0.173 176.480 176.600 0.089 0.000 1.031 478 K CA -0.059 56.125 56.287 -0.172 0.000 1.037 478 K CB 0.239 32.717 32.500 -0.037 0.000 0.824 478 K HN 0.853 nan 8.250 nan 0.000 0.516 479 W N -1.494 119.717 121.300 -0.148 0.000 2.940 479 W HA 0.603 5.263 4.660 0.001 0.000 0.394 479 W C -0.367 176.076 176.519 -0.127 0.000 1.155 479 W CA -1.414 55.868 57.345 -0.105 0.000 1.165 479 W CB -0.110 29.309 29.460 -0.068 0.000 1.492 479 W HN -0.186 nan 8.180 nan 0.000 0.593 480 G N -1.166 107.770 108.800 0.227 0.000 2.531 480 G HA2 0.471 4.431 3.960 0.000 0.000 0.313 480 G HA3 0.471 4.431 3.960 0.000 0.000 0.313 480 G C -1.273 173.717 174.900 0.151 0.000 1.238 480 G CA -0.797 44.318 45.100 0.025 0.000 0.994 480 G HN 0.979 nan 8.290 nan 0.000 0.493 481 Y N -2.214 118.120 120.300 0.055 0.000 3.168 481 Y HA -0.154 4.396 4.550 0.001 0.000 0.207 481 Y C 0.487 176.425 175.900 0.064 0.000 1.280 481 Y CA -0.278 57.859 58.100 0.061 0.000 1.235 481 Y CB -1.772 36.733 38.460 0.076 0.000 1.370 481 Y HN 0.200 nan 8.280 nan 0.000 0.537 482 I N 1.026 121.646 120.570 0.083 0.000 2.337 482 I HA 0.123 4.293 4.170 0.000 0.000 0.291 482 I C 1.395 177.642 176.117 0.218 0.000 1.046 482 I CA 0.629 61.950 61.300 0.035 0.000 1.324 482 I CB 1.005 38.818 38.000 -0.312 0.000 1.409 482 I HN 0.415 nan 8.210 nan 0.000 0.494 483 T N 0.367 115.051 114.554 0.217 0.000 3.044 483 T HA 0.128 4.478 4.350 0.000 0.000 0.260 483 T C 0.706 175.562 174.700 0.260 0.000 1.019 483 T CA -0.288 61.954 62.100 0.237 0.000 0.921 483 T CB 0.057 69.021 68.868 0.160 0.000 1.053 483 T HN 0.532 nan 8.240 nan 0.000 0.533 484 S N 1.185 117.039 115.700 0.257 0.000 2.646 484 S HA 0.808 5.278 4.470 0.000 0.000 0.276 484 S C 0.258 174.942 174.600 0.139 0.000 1.222 484 S CA -0.751 57.561 58.200 0.186 0.000 1.014 484 S CB 1.230 64.511 63.200 0.135 0.000 0.991 484 S HN 0.603 nan 8.310 nan 0.000 0.533 485 A N 1.928 124.604 122.820 -0.241 0.000 2.322 485 A HA 0.677 4.997 4.320 0.000 0.000 0.269 485 A C -2.554 174.219 177.584 -1.351 0.000 1.094 485 A CA -1.829 49.551 52.037 -1.095 0.000 0.807 485 A CB -0.738 17.706 19.000 -0.927 0.000 1.047 485 A HN 0.675 nan 8.150 nan 0.000 0.487 486 P HA 0.448 nan 4.420 nan 0.000 0.269 486 P C 0.712 177.123 177.300 -1.481 0.000 1.215 486 P CA 1.177 62.854 63.100 -2.371 0.000 0.780 486 P CB 0.879 30.757 31.700 -3.036 0.000 0.898 487 G N 0.276 108.301 108.800 -1.293 0.000 2.366 487 G HA2 -0.024 3.936 3.960 0.000 0.000 0.190 487 G HA3 -0.024 3.936 3.960 0.000 0.000 0.190 487 G C 0.982 175.782 174.900 -0.167 0.000 1.299 487 G CA 0.178 44.933 45.100 -0.576 0.000 1.056 487 G HN 0.403 nan 8.290 nan 0.000 0.468 488 S N 0.059 115.735 115.700 -0.040 0.000 2.400 488 S HA -0.041 4.430 4.470 0.000 0.000 0.232 488 S C 0.936 175.566 174.600 0.051 0.000 1.025 488 S CA 1.843 60.068 58.200 0.042 0.000 0.993 488 S CB -0.561 62.666 63.200 0.044 0.000 0.808 488 S HN 1.150 nan 8.310 nan 0.000 0.478 489 D N 2.147 122.552 120.400 0.009 0.000 2.658 489 D HA 0.001 4.642 4.640 0.000 0.000 0.230 489 D C 1.358 177.718 176.300 0.101 0.000 1.118 489 D CA 0.789 54.824 54.000 0.058 0.000 0.848 489 D CB 0.701 41.529 40.800 0.047 0.000 1.160 489 D HN 0.347 nan 8.370 nan 0.000 0.497 490 S N 2.927 118.711 115.700 0.141 0.000 2.420 490 S HA -0.276 4.195 4.470 0.000 0.000 0.237 490 S C 1.968 176.577 174.600 0.015 0.000 1.023 490 S CA 0.820 59.138 58.200 0.196 0.000 0.991 490 S CB -0.401 63.010 63.200 0.351 0.000 0.792 490 S HN 0.596 nan 8.310 nan 0.000 0.488 491 A N 0.175 122.823 122.820 -0.288 0.000 2.014 491 A HA 0.219 4.540 4.320 0.000 0.000 0.218 491 A C 0.516 177.570 177.584 -0.883 0.000 1.163 491 A CA 0.114 51.458 52.037 -1.154 0.000 0.652 491 A CB -0.492 17.802 19.000 -1.176 0.000 0.808 491 A HN 0.691 nan 8.150 nan 0.000 0.449 492 W N -1.095 120.003 121.300 -0.338 0.000 2.469 492 W HA 0.578 5.238 4.660 0.000 0.000 0.320 492 W C -0.481 176.084 176.519 0.077 0.000 1.086 492 W CA -0.800 56.448 57.345 -0.162 0.000 1.211 492 W CB 1.138 30.441 29.460 -0.261 0.000 1.298 492 W HN 0.075 nan 8.180 nan 0.000 0.525 493 L N 3.882 125.331 121.223 0.377 0.000 2.333 493 L HA 0.452 4.792 4.340 0.000 0.000 0.280 493 L C -0.252 176.720 176.870 0.170 0.000 1.004 493 L CA -1.050 53.930 54.840 0.233 0.000 0.820 493 L CB 0.907 43.017 42.059 0.084 0.000 1.247 493 L HN 0.259 nan 8.230 nan 0.000 0.416 494 K N 3.835 124.155 120.400 -0.134 0.000 2.412 494 K HA 0.232 4.552 4.320 0.000 0.000 0.284 494 K C 0.547 176.935 176.600 -0.353 0.000 1.046 494 K CA 0.344 56.239 56.287 -0.655 0.000 0.999 494 K CB 0.906 32.852 32.500 -0.924 0.000 0.941 494 K HN 0.682 nan 8.250 nan 0.000 0.474 495 V N -0.476 119.272 119.914 -0.277 0.000 3.485 495 V HA 0.380 4.500 4.120 0.000 0.000 0.280 495 V C 0.482 176.493 176.094 -0.138 0.000 1.495 495 V CA 0.165 62.367 62.300 -0.162 0.000 1.018 495 V CB 0.723 32.501 31.823 -0.076 0.000 0.818 495 V HN 0.729 nan 8.190 nan 0.000 0.436 496 G N -0.030 108.681 108.800 -0.149 0.000 2.608 496 G HA2 0.657 4.617 3.960 0.000 0.000 0.291 496 G HA3 0.657 4.617 3.960 0.000 0.000 0.291 496 G C -1.685 173.175 174.900 -0.066 0.000 1.425 496 G CA -1.136 43.910 45.100 -0.091 0.000 0.787 496 G HN 0.174 nan 8.290 nan 0.000 0.484 497 R N -0.623 119.826 120.500 -0.085 0.000 2.589 497 R HA 0.616 4.956 4.340 0.000 0.000 0.293 497 R C -0.618 175.585 176.300 -0.162 0.000 0.963 497 R CA -0.718 55.274 56.100 -0.180 0.000 0.905 497 R CB 2.475 32.667 30.300 -0.179 0.000 1.144 497 R HN 0.290 nan 8.270 nan 0.000 0.459 498 V N 2.844 122.631 119.914 -0.213 0.000 2.583 498 V HA 0.249 4.370 4.120 0.000 0.000 0.287 498 V C 0.744 176.762 176.094 -0.126 0.000 1.051 498 V CA -0.218 62.002 62.300 -0.133 0.000 1.010 498 V CB 1.289 33.040 31.823 -0.121 0.000 0.988 498 V HN 0.956 nan 8.190 nan 0.000 0.478 499 A N 0.000 122.772 122.820 -0.080 0.000 2.254 499 A HA 0.000 4.320 4.320 0.000 0.000 0.244 499 A CA 0.000 51.996 52.037 -0.069 0.000 0.836 499 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 499 A HN 0.000 nan 8.150 nan 0.000 0.486