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 1h0i_1_B DATA FIRST_RESID 3 DATA SEQUENCE TRKAVIGYYF IPTNQINNYT ETDTSVVPFP VSNITPAKAK QLTHINFSFL DATA SEQUENCE DINSNLECAW DPATNDAKAR DVVNRLTALK AHNPSLRIMF SIGGWYYSND DATA SEQUENCE LGVSHANYVN AVKTPASRTK 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 0.000 174.706 174.700 0.010 0.000 1.109 3 T CA 0.000 62.112 62.100 0.021 0.000 1.349 3 T CB 0.000 68.883 68.868 0.024 0.000 0.612 4 R N 2.136 122.647 120.500 0.017 0.000 2.585 4 R HA 0.133 4.474 4.340 0.000 0.000 0.275 4 R C -0.127 176.144 176.300 -0.048 0.000 1.018 4 R CA -0.098 56.004 56.100 0.003 0.000 1.072 4 R CB 0.387 30.704 30.300 0.029 0.000 0.953 4 R HN 0.283 nan 8.270 nan 0.000 0.419 5 K N 2.493 122.793 120.400 -0.167 0.000 2.270 5 K HA 0.176 4.496 4.320 0.000 0.000 0.276 5 K C -0.242 176.228 176.600 -0.216 0.000 1.023 5 K CA -0.132 55.949 56.287 -0.343 0.000 0.955 5 K CB 1.519 33.423 32.500 -0.993 0.000 0.975 5 K HN 0.703 nan 8.250 nan 0.000 0.471 6 A N 1.940 124.642 122.820 -0.197 0.000 2.407 6 A HA 0.363 4.684 4.320 0.000 0.000 0.248 6 A C -0.329 177.198 177.584 -0.095 0.000 1.082 6 A CA -0.446 51.499 52.037 -0.152 0.000 0.785 6 A CB 0.459 19.174 19.000 -0.474 0.000 1.020 6 A HN 0.362 nan 8.150 nan 0.000 0.489 7 V N 3.929 123.858 119.914 0.024 0.000 2.439 7 V HA 0.259 4.379 4.120 0.000 0.000 0.277 7 V C -0.616 175.493 176.094 0.026 0.000 1.008 7 V CA 0.056 62.425 62.300 0.115 0.000 0.846 7 V CB 0.753 32.716 31.823 0.233 0.000 1.031 7 V HN 0.704 nan 8.190 nan 0.000 0.441 8 I N 4.092 124.573 120.570 -0.149 0.000 2.328 8 I HA 0.568 4.738 4.170 0.000 0.000 0.287 8 I C 0.837 176.537 176.117 -0.695 0.000 1.012 8 I CA -0.216 60.888 61.300 -0.326 0.000 1.195 8 I CB 1.635 39.388 38.000 -0.413 0.000 1.350 8 I HN 0.646 nan 8.210 nan 0.000 0.464 9 G N 5.743 114.064 108.800 -0.798 0.000 2.370 9 G HA2 0.453 4.413 3.960 0.000 0.000 0.317 9 G HA3 0.453 4.413 3.960 0.000 0.000 0.317 9 G C -0.974 173.573 174.900 -0.589 0.000 1.162 9 G CA -0.295 43.981 45.100 -1.375 0.000 0.922 9 G HN 0.349 nan 8.290 nan 0.000 0.454 10 Y N 1.096 121.133 120.300 -0.438 0.000 2.411 10 Y HA 0.246 4.796 4.550 0.000 0.000 0.333 10 Y C -0.117 175.686 175.900 -0.162 0.000 1.186 10 Y CA 0.350 58.342 58.100 -0.180 0.000 1.381 10 Y CB 1.035 39.492 38.460 -0.004 0.000 1.273 10 Y HN 0.532 nan 8.280 nan 0.000 0.546 11 Y N 5.660 125.884 120.300 -0.127 0.000 2.376 11 Y HA 0.355 4.905 4.550 0.000 0.000 0.326 11 Y C -1.747 173.979 175.900 -0.291 0.000 0.970 11 Y CA -1.935 56.097 58.100 -0.113 0.000 1.248 11 Y CB 0.215 38.694 38.460 0.032 0.000 1.117 11 Y HN 0.494 nan 8.280 nan 0.000 0.476 12 F N 8.281 127.569 119.950 -1.103 0.000 2.420 12 F HA 0.655 5.183 4.527 0.000 0.000 0.342 12 F C -1.366 173.877 175.800 -0.928 0.000 1.113 12 F CA -1.381 55.945 58.000 -1.123 0.000 1.059 12 F CB 0.780 38.999 39.000 -1.301 0.000 1.128 12 F HN 0.468 nan 8.300 nan 0.000 0.475 13 I N 8.581 128.242 120.570 -1.515 0.000 2.512 13 I HA 0.449 4.619 4.170 0.000 0.000 0.287 13 I C -2.686 172.825 176.117 -1.011 0.000 1.069 13 I CA -2.525 58.160 61.300 -1.024 0.000 1.056 13 I CB 1.978 39.750 38.000 -0.380 0.000 1.229 13 I HN 0.423 nan 8.210 nan 0.000 0.429 14 P HA 0.104 nan 4.420 nan 0.000 0.266 14 P C 0.513 177.749 177.300 -0.107 0.000 1.193 14 P CA 0.036 62.903 63.100 -0.389 0.000 0.770 14 P CB 0.639 32.245 31.700 -0.158 0.000 0.836 15 T N 0.839 115.417 114.554 0.040 0.000 2.720 15 T HA -0.201 4.150 4.350 0.000 0.000 0.268 15 T C 1.624 176.381 174.700 0.095 0.000 1.037 15 T CA 1.950 64.132 62.100 0.136 0.000 1.144 15 T CB -0.730 68.260 68.868 0.203 0.000 0.864 15 T HN 0.526 nan 8.240 nan 0.000 0.444 16 N N 0.889 119.627 118.700 0.064 0.000 2.223 16 N HA -0.104 4.636 4.740 0.000 0.000 0.185 16 N C 1.929 177.473 175.510 0.057 0.000 1.016 16 N CA 1.285 54.369 53.050 0.057 0.000 0.863 16 N CB -0.130 38.383 38.487 0.042 0.000 0.983 16 N HN 0.490 nan 8.380 nan 0.000 0.429 17 Q N -0.529 119.297 119.800 0.045 0.000 2.172 17 Q HA 0.015 4.355 4.340 0.000 0.000 0.200 17 Q C 1.978 178.079 176.000 0.169 0.000 0.964 17 Q CA 0.803 56.651 55.803 0.075 0.000 0.855 17 Q CB 0.119 28.879 28.738 0.037 0.000 0.918 17 Q HN 0.505 nan 8.270 nan 0.000 0.444 18 I N 1.326 121.990 120.570 0.155 0.000 2.252 18 I HA -0.256 3.914 4.170 0.000 0.000 0.245 18 I C 1.482 177.684 176.117 0.142 0.000 1.102 18 I CA 0.784 62.190 61.300 0.178 0.000 1.385 18 I CB -0.231 37.855 38.000 0.145 0.000 1.064 18 I HN 0.180 nan 8.210 nan 0.000 0.414 19 N N 1.013 119.774 118.700 0.101 0.000 2.453 19 N HA -0.105 4.635 4.740 0.000 0.000 0.183 19 N C 0.588 176.146 175.510 0.079 0.000 1.041 19 N CA 0.911 54.005 53.050 0.073 0.000 0.900 19 N CB -0.278 38.245 38.487 0.060 0.000 0.961 19 N HN 0.411 nan 8.380 nan 0.000 0.443 20 N N -0.367 118.392 118.700 0.099 0.000 2.365 20 N HA -0.025 4.716 4.740 0.000 0.000 0.257 20 N C -0.753 174.812 175.510 0.091 0.000 1.287 20 N CA -0.317 52.778 53.050 0.075 0.000 0.882 20 N CB 0.298 38.811 38.487 0.043 0.000 1.250 20 N HN 0.174 nan 8.380 nan 0.000 0.507 21 Y N 2.256 122.572 120.300 0.027 0.000 2.805 21 Y HA 0.012 4.563 4.550 0.000 0.000 0.331 21 Y C 0.611 176.528 175.900 0.029 0.000 1.241 21 Y CA 0.966 59.089 58.100 0.038 0.000 1.546 21 Y CB 0.416 38.905 38.460 0.049 0.000 1.248 21 Y HN -0.081 nan 8.280 nan 0.000 0.559 22 T N 4.937 119.123 114.554 -0.614 0.000 2.932 22 T HA 0.310 4.661 4.350 0.000 0.000 0.318 22 T C -0.503 173.873 174.700 -0.541 0.000 1.265 22 T CA -0.726 61.126 62.100 -0.413 0.000 1.036 22 T CB 1.159 69.920 68.868 -0.180 0.000 1.209 22 T HN 0.737 nan 8.240 nan 0.000 0.484 23 E N 1.746 121.757 120.200 -0.315 0.000 2.558 23 E HA 0.162 4.512 4.350 0.000 0.000 0.205 23 E C 0.518 177.039 176.600 -0.132 0.000 1.006 23 E CA -0.012 56.256 56.400 -0.221 0.000 0.961 23 E CB 0.583 30.220 29.700 -0.106 0.000 1.044 23 E HN 0.715 nan 8.360 nan 0.000 0.465 24 T N -2.398 112.084 114.554 -0.120 0.000 3.275 24 T HA 0.132 4.482 4.350 0.000 0.000 0.298 24 T C -0.122 174.535 174.700 -0.072 0.000 0.988 24 T CA -0.488 61.564 62.100 -0.080 0.000 0.936 24 T CB 0.359 69.193 68.868 -0.058 0.000 1.159 24 T HN -0.143 nan 8.240 nan 0.000 0.519 25 D N 1.779 122.128 120.400 -0.086 0.000 2.411 25 D HA 0.173 4.813 4.640 0.000 0.000 0.239 25 D C 1.294 177.557 176.300 -0.062 0.000 1.307 25 D CA -0.026 53.935 54.000 -0.065 0.000 0.930 25 D CB 1.480 42.245 40.800 -0.058 0.000 1.395 25 D HN 0.197 nan 8.370 nan 0.000 0.536 26 T N -1.103 113.421 114.554 -0.050 0.000 2.977 26 T HA -0.173 4.177 4.350 0.000 0.000 0.271 26 T C 1.724 176.413 174.700 -0.019 0.000 1.105 26 T CA 1.483 63.564 62.100 -0.032 0.000 1.116 26 T CB -0.101 68.754 68.868 -0.023 0.000 0.878 26 T HN 0.215 nan 8.240 nan 0.000 0.509 27 S N 0.335 116.021 115.700 -0.024 0.000 2.461 27 S HA 0.046 4.517 4.470 0.000 0.000 0.228 27 S C 1.821 176.411 174.600 -0.017 0.000 1.005 27 S CA 0.501 58.689 58.200 -0.020 0.000 0.942 27 S CB -0.458 62.730 63.200 -0.021 0.000 0.776 27 S HN 0.417 nan 8.310 nan 0.000 0.514 28 V N 0.524 120.423 119.914 -0.025 0.000 2.521 28 V HA 0.276 4.396 4.120 0.000 0.000 0.239 28 V C 0.609 176.690 176.094 -0.020 0.000 1.053 28 V CA 0.505 62.791 62.300 -0.023 0.000 1.073 28 V CB 0.243 32.045 31.823 -0.034 0.000 0.746 28 V HN 0.407 nan 8.190 nan 0.000 0.476 29 V N 1.793 121.682 119.914 -0.042 0.000 2.289 29 V HA 0.290 4.410 4.120 0.000 0.000 0.272 29 V C -1.803 174.299 176.094 0.013 0.000 1.026 29 V CA -0.973 61.313 62.300 -0.023 0.000 0.807 29 V CB 1.164 32.914 31.823 -0.121 0.000 1.044 29 V HN 0.295 nan 8.190 nan 0.000 0.443 30 P HA -0.138 nan 4.420 nan 0.000 0.216 30 P C 0.234 177.644 177.300 0.184 0.000 1.150 30 P CA 1.509 64.669 63.100 0.101 0.000 0.843 30 P CB 0.176 31.946 31.700 0.116 0.000 0.787 31 F N 0.238 120.237 119.950 0.082 0.000 2.686 31 F HA 0.371 4.898 4.527 0.000 0.000 0.365 31 F C -2.514 173.434 175.800 0.246 0.000 1.196 31 F CA -2.764 55.328 58.000 0.153 0.000 1.198 31 F CB 1.089 40.208 39.000 0.197 0.000 1.454 31 F HN -0.183 nan 8.300 nan 0.000 0.539 32 P HA 0.071 nan 4.420 nan 0.000 0.274 32 P C 0.907 178.347 177.300 0.233 0.000 1.237 32 P CA -0.125 63.101 63.100 0.211 0.000 0.793 32 P CB 2.002 33.670 31.700 -0.052 0.000 0.977 33 V N 1.241 121.361 119.914 0.344 0.000 2.568 33 V HA -0.229 3.891 4.120 0.000 0.000 0.253 33 V C 2.520 178.652 176.094 0.064 0.000 1.072 33 V CA 2.568 64.945 62.300 0.129 0.000 1.084 33 V CB -1.768 30.105 31.823 0.084 0.000 0.676 33 V HN 0.707 nan 8.190 nan 0.000 0.469 34 S N 0.009 115.746 115.700 0.062 0.000 2.500 34 S HA -0.209 4.261 4.470 0.000 0.000 0.239 34 S C 1.568 176.130 174.600 -0.064 0.000 0.989 34 S CA 1.572 59.775 58.200 0.005 0.000 0.951 34 S CB -0.906 62.294 63.200 0.000 0.000 0.759 34 S HN 0.756 nan 8.310 nan 0.000 0.523 35 N N 0.784 119.391 118.700 -0.154 0.000 2.381 35 N HA 0.119 4.859 4.740 0.000 0.000 0.182 35 N C -0.178 175.290 175.510 -0.070 0.000 1.025 35 N CA 0.523 53.416 53.050 -0.262 0.000 0.888 35 N CB -0.112 37.872 38.487 -0.838 0.000 0.965 35 N HN 0.468 nan 8.380 nan 0.000 0.438 36 I N 2.150 122.732 120.570 0.020 0.000 2.294 36 I HA 0.028 4.198 4.170 0.000 0.000 0.295 36 I C 0.760 176.894 176.117 0.027 0.000 1.098 36 I CA -0.393 60.953 61.300 0.077 0.000 1.277 36 I CB 0.595 38.657 38.000 0.103 0.000 1.434 36 I HN 0.019 nan 8.210 nan 0.000 0.498 37 T N 2.953 117.508 114.554 0.003 0.000 2.824 37 T HA 0.317 4.668 4.350 0.000 0.000 0.277 37 T C -1.820 172.820 174.700 -0.099 0.000 0.975 37 T CA -1.796 60.270 62.100 -0.057 0.000 0.966 37 T CB 1.236 70.068 68.868 -0.059 0.000 1.054 37 T HN 0.204 nan 8.240 nan 0.000 0.533 38 P HA -0.033 nan 4.420 nan 0.000 0.218 38 P C 1.573 178.809 177.300 -0.106 0.000 1.148 38 P CA 1.421 64.295 63.100 -0.376 0.000 0.822 38 P CB -0.308 30.992 31.700 -0.667 0.000 0.784 39 A N 0.146 122.921 122.820 -0.075 0.000 1.858 39 A HA -0.222 4.098 4.320 0.000 0.000 0.216 39 A C 2.074 179.667 177.584 0.016 0.000 1.190 39 A CA 1.778 53.803 52.037 -0.020 0.000 0.617 39 A CB -0.998 17.990 19.000 -0.019 0.000 0.827 39 A HN 0.145 nan 8.150 nan 0.000 0.443 40 K N -0.235 120.181 120.400 0.027 0.000 2.097 40 K HA 0.012 4.332 4.320 0.000 0.000 0.205 40 K C 2.255 178.908 176.600 0.089 0.000 1.050 40 K CA 0.943 57.272 56.287 0.070 0.000 0.938 40 K CB -0.320 32.239 32.500 0.098 0.000 0.718 40 K HN 0.429 nan 8.250 nan 0.000 0.442 41 A N 2.204 125.070 122.820 0.077 0.000 1.940 41 A HA -0.207 4.113 4.320 0.000 0.000 0.219 41 A C 1.822 179.462 177.584 0.093 0.000 1.176 41 A CA 1.540 53.637 52.037 0.100 0.000 0.631 41 A CB -0.302 18.780 19.000 0.137 0.000 0.814 41 A HN 0.215 nan 8.150 nan 0.000 0.446 42 K N -0.516 119.931 120.400 0.079 0.000 2.283 42 K HA -0.106 4.215 4.320 0.000 0.000 0.202 42 K C 1.815 178.460 176.600 0.075 0.000 1.048 42 K CA 1.223 57.553 56.287 0.072 0.000 0.948 42 K CB -0.102 32.433 32.500 0.058 0.000 0.742 42 K HN 0.632 nan 8.250 nan 0.000 0.458 43 Q N 0.223 120.074 119.800 0.084 0.000 2.451 43 Q HA 0.093 4.433 4.340 0.000 0.000 0.206 43 Q C -0.002 176.079 176.000 0.134 0.000 0.947 43 Q CA 0.276 56.138 55.803 0.098 0.000 0.937 43 Q CB 0.212 29.002 28.738 0.087 0.000 1.025 43 Q HN 0.200 nan 8.270 nan 0.000 0.511 44 L N -0.544 120.755 121.223 0.127 0.000 2.330 44 L HA 0.268 4.609 4.340 0.000 0.000 0.271 44 L C 1.121 178.044 176.870 0.088 0.000 1.013 44 L CA -0.293 54.626 54.840 0.132 0.000 0.816 44 L CB 1.736 43.872 42.059 0.128 0.000 1.287 44 L HN 0.009 nan 8.230 nan 0.000 0.435 45 T N -3.640 110.973 114.554 0.098 0.000 3.018 45 T HA 0.241 4.591 4.350 0.000 0.000 0.246 45 T C 0.211 174.837 174.700 -0.125 0.000 1.026 45 T CA 0.196 62.316 62.100 0.033 0.000 1.081 45 T CB 0.058 69.012 68.868 0.143 0.000 0.970 45 T HN 0.530 nan 8.240 nan 0.000 0.475 46 H N -0.489 118.558 119.070 -0.039 0.000 2.974 46 H HA 0.686 5.242 4.556 0.000 0.000 0.366 46 H C -1.388 173.881 175.328 -0.098 0.000 1.155 46 H CA -0.933 55.081 56.048 -0.056 0.000 1.186 46 H CB 1.607 31.305 29.762 -0.107 0.000 1.799 46 H HN 0.152 nan 8.280 nan 0.000 0.541 47 I N 2.308 122.921 120.570 0.071 0.000 2.418 47 I HA 0.244 4.415 4.170 0.000 0.000 0.287 47 I C -0.629 175.502 176.117 0.023 0.000 1.008 47 I CA -0.827 60.483 61.300 0.018 0.000 1.104 47 I CB 1.350 39.401 38.000 0.084 0.000 1.264 47 I HN 0.488 nan 8.210 nan 0.000 0.438 48 N N 6.496 125.109 118.700 -0.146 0.000 2.462 48 N HA 0.210 4.951 4.740 0.000 0.000 0.242 48 N C -0.639 174.880 175.510 0.015 0.000 1.010 48 N CA -0.323 52.620 53.050 -0.178 0.000 0.939 48 N CB 0.784 38.846 38.487 -0.708 0.000 1.127 48 N HN 0.398 nan 8.380 nan 0.000 0.509 49 F N 1.965 121.955 119.950 0.066 0.000 2.538 49 F HA 0.144 4.671 4.527 0.000 0.000 0.371 49 F C 0.052 175.860 175.800 0.013 0.000 1.087 49 F CA 0.113 58.206 58.000 0.155 0.000 1.250 49 F CB 0.468 39.656 39.000 0.314 0.000 1.110 49 F HN 0.190 nan 8.300 nan 0.000 0.570 50 S N 6.490 121.592 115.700 -0.996 0.000 2.561 50 S HA 0.710 5.180 4.470 0.000 0.000 0.303 50 S C -1.284 172.838 174.600 -0.797 0.000 1.110 50 S CA -0.434 57.152 58.200 -1.024 0.000 1.034 50 S CB 1.026 63.363 63.200 -1.439 0.000 1.010 50 S HN 0.492 nan 8.310 nan 0.000 0.482 51 F N 1.198 121.137 119.950 -0.018 0.000 2.613 51 F HA 0.633 5.160 4.527 0.000 0.000 0.314 51 F C -0.440 175.505 175.800 0.243 0.000 1.075 51 F CA -0.924 57.167 58.000 0.151 0.000 0.945 51 F CB 1.070 40.202 39.000 0.219 0.000 1.310 51 F HN 0.313 nan 8.300 nan 0.000 0.467 52 L N 0.944 122.400 121.223 0.389 0.000 2.376 52 L HA 0.564 4.904 4.340 0.000 0.000 0.267 52 L C -0.462 176.545 176.870 0.229 0.000 1.035 52 L CA -0.108 54.785 54.840 0.088 0.000 0.800 52 L CB 1.111 43.106 42.059 -0.106 0.000 1.290 52 L HN 0.598 nan 8.230 nan 0.000 0.462 53 D N -1.025 119.359 120.400 -0.027 0.000 2.758 53 D HA 0.554 5.195 4.640 0.000 0.000 0.279 53 D C -1.384 174.802 176.300 -0.190 0.000 1.111 53 D CA -0.319 53.579 54.000 -0.170 0.000 1.109 53 D CB 1.493 41.883 40.800 -0.683 0.000 1.428 53 D HN 0.237 nan 8.370 nan 0.000 0.586 54 I N 2.077 122.411 120.570 -0.393 0.000 2.436 54 I HA 0.298 4.468 4.170 0.000 0.000 0.289 54 I C -0.114 175.789 176.117 -0.356 0.000 1.010 54 I CA -0.914 60.109 61.300 -0.461 0.000 1.098 54 I CB 1.523 38.919 38.000 -1.006 0.000 1.266 54 I HN 0.340 nan 8.210 nan 0.000 0.434 55 N N 3.172 121.743 118.700 -0.215 0.000 2.476 55 N HA 0.140 4.880 4.740 0.000 0.000 0.287 55 N C 0.876 176.292 175.510 -0.156 0.000 1.262 55 N CA -0.501 52.453 53.050 -0.159 0.000 0.980 55 N CB 0.301 38.739 38.487 -0.083 0.000 1.163 55 N HN 0.523 nan 8.380 nan 0.000 0.592 56 S N -1.810 113.824 115.700 -0.109 0.000 2.474 56 S HA -0.141 4.330 4.470 0.000 0.000 0.235 56 S C 1.088 175.639 174.600 -0.082 0.000 0.997 56 S CA 0.868 59.010 58.200 -0.097 0.000 0.949 56 S CB -0.664 62.496 63.200 -0.067 0.000 0.766 56 S HN 0.690 nan 8.310 nan 0.000 0.517 57 N N 1.291 119.952 118.700 -0.065 0.000 2.383 57 N HA 0.201 4.941 4.740 0.000 0.000 0.192 57 N C 0.145 175.624 175.510 -0.051 0.000 1.141 57 N CA -0.039 52.985 53.050 -0.045 0.000 0.851 57 N CB -0.793 37.681 38.487 -0.021 0.000 0.976 57 N HN 0.496 nan 8.380 nan 0.000 0.465 58 L N -0.506 120.659 121.223 -0.097 0.000 3.634 58 L HA -0.271 4.069 4.340 0.000 0.000 0.423 58 L C -0.789 176.069 176.870 -0.020 0.000 1.253 58 L CA 0.685 55.447 54.840 -0.129 0.000 0.885 58 L CB -1.831 40.156 42.059 -0.120 0.000 1.789 58 L HN 0.330 nan 8.230 nan 0.000 0.904 59 E N -0.808 119.401 120.200 0.014 0.000 2.369 59 E HA 0.405 4.755 4.350 0.000 0.000 0.270 59 E C -0.494 176.179 176.600 0.122 0.000 0.909 59 E CA -0.847 55.631 56.400 0.130 0.000 0.775 59 E CB 2.670 32.409 29.700 0.064 0.000 1.270 59 E HN 0.273 nan 8.360 nan 0.000 0.445 60 C N 1.994 121.408 119.300 0.190 0.000 2.653 60 C HA 0.657 5.117 4.460 0.000 0.000 0.421 60 C C 0.009 175.014 174.990 0.026 0.000 1.334 60 C CA 0.252 59.350 59.018 0.133 0.000 1.885 60 C CB -1.563 26.242 27.740 0.109 0.000 2.645 60 C HN 0.653 nan 8.230 nan 0.000 0.601 61 A N 5.014 127.815 122.820 -0.031 0.000 2.608 61 A HA 0.651 4.971 4.320 0.000 0.000 0.292 61 A C -1.491 176.061 177.584 -0.052 0.000 1.066 61 A CA -0.674 51.356 52.037 -0.011 0.000 0.676 61 A CB 0.132 19.157 19.000 0.042 0.000 1.277 61 A HN 0.916 nan 8.150 nan 0.000 0.413 62 W N 1.059 122.347 121.300 -0.021 0.000 2.126 62 W HA 0.392 5.052 4.660 0.000 0.000 0.346 62 W C 0.664 177.192 176.519 0.015 0.000 1.279 62 W CA 0.821 58.174 57.345 0.014 0.000 1.259 62 W CB 0.504 29.960 29.460 -0.007 0.000 1.133 62 W HN 0.709 nan 8.180 nan 0.000 0.592 63 D N 3.824 124.413 120.400 0.314 0.000 2.487 63 D HA -0.059 4.582 4.640 0.000 0.000 0.243 63 D C -0.891 175.537 176.300 0.213 0.000 1.154 63 D CA -1.179 52.941 54.000 0.201 0.000 0.876 63 D CB 1.218 42.216 40.800 0.330 0.000 1.161 63 D HN 0.097 nan 8.370 nan 0.000 0.478 64 P HA -0.114 nan 4.420 nan 0.000 0.226 64 P C 0.708 178.070 177.300 0.103 0.000 1.146 64 P CA 0.721 63.888 63.100 0.111 0.000 0.773 64 P CB 0.121 31.865 31.700 0.073 0.000 0.772 65 A N -0.557 122.338 122.820 0.125 0.000 2.208 65 A HA 0.090 4.410 4.320 0.000 0.000 0.209 65 A C 0.996 178.642 177.584 0.103 0.000 1.161 65 A CA 0.403 52.505 52.037 0.108 0.000 0.782 65 A CB -1.085 17.988 19.000 0.122 0.000 0.816 65 A HN 0.158 nan 8.150 nan 0.000 0.477 66 T N 1.786 116.414 114.554 0.124 0.000 2.870 66 T HA 0.098 4.449 4.350 0.000 0.000 0.300 66 T C 0.218 174.911 174.700 -0.012 0.000 0.989 66 T CA -0.383 61.766 62.100 0.083 0.000 1.139 66 T CB 0.423 69.367 68.868 0.126 0.000 0.920 66 T HN 0.367 nan 8.240 nan 0.000 0.537 67 N N 2.392 121.071 118.700 -0.035 0.000 2.405 67 N HA -0.005 4.735 4.740 0.000 0.000 0.260 67 N C 0.770 176.190 175.510 -0.149 0.000 1.152 67 N CA -0.118 52.896 53.050 -0.060 0.000 0.948 67 N CB 1.032 39.501 38.487 -0.030 0.000 1.111 67 N HN 0.645 nan 8.380 nan 0.000 0.485 68 D N 3.781 124.085 120.400 -0.160 0.000 2.133 68 D HA -0.153 4.487 4.640 0.000 0.000 0.195 68 D C 1.646 177.828 176.300 -0.198 0.000 0.997 68 D CA 1.903 55.765 54.000 -0.231 0.000 0.840 68 D CB 0.246 40.968 40.800 -0.130 0.000 0.947 68 D HN 0.653 nan 8.370 nan 0.000 0.452 69 A N 0.350 123.092 122.820 -0.130 0.000 1.877 69 A HA -0.182 4.138 4.320 0.000 0.000 0.216 69 A C 2.111 179.620 177.584 -0.125 0.000 1.186 69 A CA 1.410 53.380 52.037 -0.112 0.000 0.620 69 A CB -0.426 18.529 19.000 -0.074 0.000 0.822 69 A HN 0.071 nan 8.150 nan 0.000 0.443 70 K N -0.045 120.287 120.400 -0.113 0.000 2.147 70 K HA -0.013 4.307 4.320 0.000 0.000 0.205 70 K C 2.206 178.695 176.600 -0.184 0.000 1.049 70 K CA 1.266 57.492 56.287 -0.101 0.000 0.936 70 K CB -0.775 31.704 32.500 -0.035 0.000 0.722 70 K HN 0.470 nan 8.250 nan 0.000 0.446 71 A N 1.535 124.182 122.820 -0.288 0.000 1.873 71 A HA -0.151 4.169 4.320 0.000 0.000 0.215 71 A C 2.230 179.598 177.584 -0.360 0.000 1.186 71 A CA 1.210 52.963 52.037 -0.474 0.000 0.616 71 A CB -0.362 17.962 19.000 -1.126 0.000 0.823 71 A HN 0.244 nan 8.150 nan 0.000 0.442 72 R N -0.577 119.778 120.500 -0.241 0.000 2.105 72 R HA -0.172 4.168 4.340 0.000 0.000 0.239 72 R C 1.973 178.175 176.300 -0.163 0.000 1.135 72 R CA 1.636 57.660 56.100 -0.125 0.000 0.967 72 R CB -0.455 29.769 30.300 -0.127 0.000 0.861 72 R HN 0.704 nan 8.270 nan 0.000 0.442 73 D N 0.093 120.392 120.400 -0.169 0.000 2.117 73 D HA -0.124 4.517 4.640 0.000 0.000 0.197 73 D C 1.735 177.901 176.300 -0.223 0.000 0.987 73 D CA 0.927 54.831 54.000 -0.161 0.000 0.829 73 D CB 0.201 40.926 40.800 -0.126 0.000 0.961 73 D HN -0.061 nan 8.370 nan 0.000 0.460 74 V N -0.219 119.510 119.914 -0.307 0.000 2.358 74 V HA -0.187 3.933 4.120 0.000 0.000 0.246 74 V C 2.536 178.523 176.094 -0.179 0.000 1.047 74 V CA 1.221 63.308 62.300 -0.355 0.000 1.035 74 V CB -0.234 31.411 31.823 -0.295 0.000 0.658 74 V HN 0.183 nan 8.190 nan 0.000 0.452 75 V N 0.561 120.350 119.914 -0.209 0.000 2.343 75 V HA -0.280 3.841 4.120 0.000 0.000 0.247 75 V C 2.068 178.052 176.094 -0.183 0.000 1.051 75 V CA 2.369 64.528 62.300 -0.236 0.000 1.036 75 V CB -1.064 30.529 31.823 -0.383 0.000 0.654 75 V HN 0.639 nan 8.190 nan 0.000 0.451 76 N N -0.050 118.551 118.700 -0.166 0.000 2.104 76 N HA -0.197 4.543 4.740 0.000 0.000 0.190 76 N C 2.021 177.482 175.510 -0.083 0.000 1.024 76 N CA 1.244 54.219 53.050 -0.125 0.000 0.853 76 N CB -0.192 38.229 38.487 -0.111 0.000 1.008 76 N HN 0.451 nan 8.380 nan 0.000 0.424 77 R N 0.672 121.127 120.500 -0.076 0.000 2.120 77 R HA -0.048 4.292 4.340 0.000 0.000 0.234 77 R C 2.089 178.379 176.300 -0.017 0.000 1.123 77 R CA 0.836 56.917 56.100 -0.032 0.000 0.975 77 R CB -0.223 30.065 30.300 -0.021 0.000 0.866 77 R HN 0.271 nan 8.270 nan 0.000 0.446 78 L N -0.139 121.068 121.223 -0.026 0.000 2.044 78 L HA -0.112 4.229 4.340 0.000 0.000 0.205 78 L C 2.629 179.507 176.870 0.013 0.000 1.075 78 L CA 1.595 56.438 54.840 0.003 0.000 0.747 78 L CB -0.717 41.377 42.059 0.059 0.000 0.903 78 L HN 0.343 nan 8.230 nan 0.000 0.435 79 T N -2.670 111.873 114.554 -0.018 0.000 2.962 79 T HA -0.050 4.300 4.350 0.000 0.000 0.270 79 T C 1.824 176.505 174.700 -0.032 0.000 1.088 79 T CA 0.783 62.871 62.100 -0.021 0.000 1.127 79 T CB -0.237 68.593 68.868 -0.064 0.000 0.883 79 T HN 0.279 nan 8.240 nan 0.000 0.493 80 A N 1.418 124.218 122.820 -0.034 0.000 2.067 80 A HA 0.255 4.576 4.320 0.000 0.000 0.219 80 A C 2.280 179.828 177.584 -0.060 0.000 1.158 80 A CA 0.776 52.785 52.037 -0.048 0.000 0.661 80 A CB -0.812 18.174 19.000 -0.024 0.000 0.801 80 A HN 0.582 nan 8.150 nan 0.000 0.452 81 L N -0.911 120.318 121.223 0.010 0.000 2.275 81 L HA -0.143 4.197 4.340 0.000 0.000 0.215 81 L C 2.199 179.076 176.870 0.012 0.000 1.119 81 L CA 1.114 56.006 54.840 0.087 0.000 0.790 81 L CB -0.348 41.779 42.059 0.113 0.000 0.919 81 L HN 0.327 nan 8.230 nan 0.000 0.443 82 K N 0.410 120.789 120.400 -0.034 0.000 2.280 82 K HA -0.113 4.207 4.320 0.000 0.000 0.202 82 K C 2.215 178.755 176.600 -0.100 0.000 1.047 82 K CA 1.085 57.347 56.287 -0.041 0.000 0.942 82 K CB -0.233 32.249 32.500 -0.030 0.000 0.739 82 K HN 0.293 nan 8.250 nan 0.000 0.457 83 A N 0.904 123.590 122.820 -0.223 0.000 2.019 83 A HA -0.175 4.145 4.320 0.000 0.000 0.219 83 A C 1.255 178.658 177.584 -0.302 0.000 1.164 83 A CA 1.375 53.228 52.037 -0.306 0.000 0.644 83 A CB -0.589 18.145 19.000 -0.443 0.000 0.805 83 A HN 0.419 nan 8.150 nan 0.000 0.449 84 H N -2.138 116.936 119.070 0.006 0.000 2.551 84 H HA 0.198 4.755 4.556 0.000 0.000 0.271 84 H C 0.010 175.345 175.328 0.011 0.000 0.984 84 H CA 0.393 56.447 56.048 0.009 0.000 1.164 84 H CB 0.319 30.089 29.762 0.013 0.000 1.437 84 H HN 0.408 nan 8.280 nan 0.000 0.550 85 N N 0.444 119.188 118.700 0.074 0.000 2.664 85 N HA 0.046 4.786 4.740 0.000 0.000 0.268 85 N C -2.370 173.147 175.510 0.013 0.000 1.222 85 N CA -1.824 51.257 53.050 0.051 0.000 0.805 85 N CB 1.425 39.949 38.487 0.062 0.000 1.399 85 N HN -0.110 nan 8.380 nan 0.000 0.547 86 P HA -0.018 nan 4.420 nan 0.000 0.228 86 P C 0.367 177.656 177.300 -0.019 0.000 1.151 86 P CA 0.776 63.870 63.100 -0.011 0.000 0.770 86 P CB 0.488 32.184 31.700 -0.007 0.000 0.786 87 S N -0.900 114.790 115.700 -0.016 0.000 2.511 87 S HA 0.097 4.567 4.470 0.000 0.000 0.214 87 S C 0.750 175.306 174.600 -0.073 0.000 0.997 87 S CA -0.438 57.741 58.200 -0.035 0.000 0.908 87 S CB -0.370 62.820 63.200 -0.017 0.000 0.803 87 S HN 0.072 nan 8.310 nan 0.000 0.504 88 L N 3.408 124.601 121.223 -0.050 0.000 2.455 88 L HA 0.269 4.609 4.340 0.000 0.000 0.272 88 L C 0.002 176.827 176.870 -0.075 0.000 1.174 88 L CA 0.510 55.312 54.840 -0.063 0.000 0.869 88 L CB 0.161 42.219 42.059 -0.003 0.000 1.130 88 L HN 0.014 nan 8.230 nan 0.000 0.474 89 R N 5.720 126.143 120.500 -0.128 0.000 2.599 89 R HA 0.547 4.888 4.340 0.000 0.000 0.295 89 R C -1.149 175.196 176.300 0.074 0.000 0.963 89 R CA -0.941 55.135 56.100 -0.040 0.000 0.883 89 R CB 1.687 31.923 30.300 -0.107 0.000 1.171 89 R HN 0.492 nan 8.270 nan 0.000 0.450 90 I N 4.748 125.422 120.570 0.173 0.000 2.337 90 I HA 0.253 4.424 4.170 0.000 0.000 0.285 90 I C 0.209 176.574 176.117 0.413 0.000 1.041 90 I CA -0.317 61.152 61.300 0.281 0.000 1.199 90 I CB 0.750 38.932 38.000 0.304 0.000 1.370 90 I HN 0.500 nan 8.210 nan 0.000 0.470 91 M N 6.323 126.092 119.600 0.282 0.000 2.368 91 M HA 0.460 4.940 4.480 0.000 0.000 0.311 91 M C -0.321 176.010 176.300 0.052 0.000 1.168 91 M CA -0.473 54.929 55.300 0.170 0.000 1.044 91 M CB 1.259 33.887 32.600 0.047 0.000 1.506 91 M HN 0.379 nan 8.290 nan 0.000 0.475 92 F N -1.013 118.709 119.950 -0.379 0.000 2.520 92 F HA 0.713 5.240 4.527 0.000 0.000 0.322 92 F C -0.335 175.353 175.800 -0.188 0.000 1.103 92 F CA -1.050 56.606 58.000 -0.572 0.000 0.926 92 F CB 1.246 39.371 39.000 -1.459 0.000 1.154 92 F HN 0.471 nan 8.300 nan 0.000 0.453 93 S N 4.192 119.906 115.700 0.022 0.000 2.462 93 S HA 0.694 5.165 4.470 0.000 0.000 0.294 93 S C -0.673 174.135 174.600 0.347 0.000 1.144 93 S CA -0.659 57.633 58.200 0.152 0.000 1.088 93 S CB 0.349 63.803 63.200 0.423 0.000 1.009 93 S HN 0.617 nan 8.310 nan 0.000 0.484 94 I N 5.004 125.728 120.570 0.257 0.000 2.321 94 I HA 0.607 4.777 4.170 0.000 0.000 0.291 94 I C 1.073 177.395 176.117 0.343 0.000 0.998 94 I CA -0.052 61.452 61.300 0.339 0.000 1.227 94 I CB 0.879 39.061 38.000 0.303 0.000 1.368 94 I HN 0.971 nan 8.210 nan 0.000 0.466 95 G N 4.285 113.277 108.800 0.320 0.000 2.436 95 G HA2 0.319 4.280 3.960 0.000 0.000 0.205 95 G HA3 0.319 4.280 3.960 0.000 0.000 0.205 95 G C 0.017 174.527 174.900 -0.651 0.000 1.188 95 G CA 0.058 45.143 45.100 -0.026 0.000 1.267 95 G HN 1.489 nan 8.290 nan 0.000 0.536 96 G N -1.837 106.356 108.800 -1.012 0.000 2.690 96 G HA2 0.092 4.053 3.960 0.000 0.000 0.686 96 G HA3 0.092 4.053 3.960 0.000 0.000 0.686 96 G C 0.674 175.092 174.900 -0.803 0.000 1.277 96 G CA 0.480 44.642 45.100 -1.563 0.000 0.799 96 G HN 1.952 nan 8.290 nan 0.000 0.613 97 W N 0.946 121.788 121.300 -0.763 0.000 2.338 97 W HA -0.180 4.480 4.660 0.000 0.000 0.304 97 W C 1.993 178.287 176.519 -0.375 0.000 1.212 97 W CA 2.593 59.621 57.345 -0.529 0.000 1.264 97 W CB -0.321 28.869 29.460 -0.449 0.000 1.142 97 W HN 0.719 nan 8.180 nan 0.000 0.512 98 Y N 0.717 120.799 120.300 -0.363 0.000 2.097 98 Y HA -0.345 4.205 4.550 0.000 0.000 0.282 98 Y C 2.496 178.229 175.900 -0.278 0.000 1.152 98 Y CA 2.745 60.661 58.100 -0.306 0.000 1.136 98 Y CB -1.356 36.928 38.460 -0.292 0.000 0.975 98 Y HN -0.110 nan 8.280 nan 0.000 0.498 99 Y N -0.449 119.629 120.300 -0.370 0.000 2.184 99 Y HA -0.104 4.446 4.550 0.000 0.000 0.290 99 Y C 2.904 178.470 175.900 -0.556 0.000 1.129 99 Y CA 1.266 59.118 58.100 -0.413 0.000 1.144 99 Y CB -1.300 37.060 38.460 -0.166 0.000 0.995 99 Y HN 0.297 nan 8.280 nan 0.000 0.513 100 S N 0.013 115.354 115.700 -0.598 0.000 2.540 100 S HA 0.075 4.545 4.470 0.000 0.000 0.218 100 S C 0.380 174.598 174.600 -0.638 0.000 0.977 100 S CA -0.350 57.319 58.200 -0.886 0.000 0.918 100 S CB -1.257 61.138 63.200 -1.340 0.000 0.806 100 S HN 0.506 nan 8.310 nan 0.000 0.496 101 N N 1.766 119.953 118.700 -0.854 0.000 2.340 101 N HA 0.050 4.790 4.740 0.000 0.000 0.236 101 N C 0.282 175.365 175.510 -0.712 0.000 1.296 101 N CA 0.099 52.512 53.050 -1.061 0.000 0.896 101 N CB 0.178 37.330 38.487 -2.225 0.000 1.127 101 N HN -0.141 nan 8.380 nan 0.000 0.442 102 D N 0.150 120.160 120.400 -0.650 0.000 2.172 102 D HA -0.166 4.475 4.640 0.000 0.000 0.196 102 D C 1.012 176.905 176.300 -0.678 0.000 0.999 102 D CA 1.471 54.986 54.000 -0.808 0.000 0.856 102 D CB -0.104 40.454 40.800 -0.404 0.000 0.934 102 D HN 0.543 nan 8.370 nan 0.000 0.453 103 L N -0.074 120.878 121.223 -0.453 0.000 2.818 103 L HA 0.316 4.657 4.340 0.000 0.000 0.243 103 L C 1.267 177.957 176.870 -0.299 0.000 1.185 103 L CA -0.551 54.112 54.840 -0.294 0.000 0.988 103 L CB 0.583 42.533 42.059 -0.181 0.000 1.292 103 L HN -0.161 nan 8.230 nan 0.000 0.519 104 G N 0.247 108.806 108.800 -0.403 0.000 2.606 104 G HA2 0.243 4.203 3.960 0.000 0.000 0.252 104 G HA3 0.243 4.203 3.960 0.000 0.000 0.252 104 G C 1.217 175.932 174.900 -0.308 0.000 1.206 104 G CA 0.045 44.890 45.100 -0.425 0.000 0.861 104 G HN 0.043 nan 8.290 nan 0.000 0.561 105 V N -1.729 117.951 119.914 -0.390 0.000 2.867 105 V HA -0.004 4.116 4.120 0.000 0.000 0.260 105 V C 1.508 177.507 176.094 -0.158 0.000 1.099 105 V CA 2.072 64.218 62.300 -0.257 0.000 1.122 105 V CB -0.117 31.531 31.823 -0.291 0.000 0.708 105 V HN 0.425 nan 8.190 nan 0.000 0.490 106 S N -1.518 114.099 115.700 -0.139 0.000 2.900 106 S HA 0.227 4.698 4.470 0.000 0.000 0.253 106 S C 1.319 175.911 174.600 -0.013 0.000 1.029 106 S CA 0.044 58.200 58.200 -0.073 0.000 1.096 106 S CB -0.463 62.707 63.200 -0.050 0.000 1.067 106 S HN 0.791 nan 8.310 nan 0.000 0.610 107 H N 2.633 121.591 119.070 -0.187 0.000 2.321 107 H HA -0.201 4.355 4.556 0.000 0.000 0.295 107 H C 2.194 177.422 175.328 -0.165 0.000 1.102 107 H CA 2.053 57.958 56.048 -0.239 0.000 1.266 107 H CB -0.122 29.492 29.762 -0.247 0.000 1.363 107 H HN 0.474 nan 8.280 nan 0.000 0.492 108 A N 1.152 123.885 122.820 -0.145 0.000 1.978 108 A HA -0.230 4.091 4.320 0.000 0.000 0.220 108 A C 2.200 179.624 177.584 -0.267 0.000 1.170 108 A CA 1.760 53.685 52.037 -0.186 0.000 0.636 108 A CB -0.396 18.554 19.000 -0.084 0.000 0.810 108 A HN 0.571 nan 8.150 nan 0.000 0.448 109 N N -1.123 117.413 118.700 -0.272 0.000 2.244 109 N HA -0.130 4.610 4.740 0.000 0.000 0.183 109 N C 1.403 176.553 175.510 -0.600 0.000 1.016 109 N CA 1.525 54.347 53.050 -0.381 0.000 0.866 109 N CB -0.592 37.658 38.487 -0.395 0.000 0.980 109 N HN 0.664 nan 8.380 nan 0.000 0.430 110 Y N 1.020 120.862 120.300 -0.764 0.000 2.133 110 Y HA -0.051 4.500 4.550 0.000 0.000 0.287 110 Y C 2.528 177.855 175.900 -0.956 0.000 1.134 110 Y CA 0.597 58.024 58.100 -1.122 0.000 1.133 110 Y CB -0.801 36.539 38.460 -1.865 0.000 0.987 110 Y HN -0.203 nan 8.280 nan 0.000 0.502 111 V N 0.763 120.297 119.914 -0.633 0.000 2.332 111 V HA -0.328 3.792 4.120 0.000 0.000 0.248 111 V C 1.910 177.921 176.094 -0.138 0.000 1.055 111 V CA 2.176 64.348 62.300 -0.214 0.000 1.038 111 V CB -0.571 31.141 31.823 -0.185 0.000 0.651 111 V HN 0.496 nan 8.190 nan 0.000 0.450 112 N N 0.207 118.781 118.700 -0.210 0.000 2.270 112 N HA -0.031 4.709 4.740 0.000 0.000 0.181 112 N C 1.887 177.302 175.510 -0.158 0.000 1.016 112 N CA 1.415 54.376 53.050 -0.148 0.000 0.870 112 N CB -0.355 38.046 38.487 -0.145 0.000 0.979 112 N HN 0.486 nan 8.380 nan 0.000 0.431 113 A N 0.862 123.515 122.820 -0.279 0.000 1.972 113 A HA -0.095 4.225 4.320 0.000 0.000 0.219 113 A C 2.119 179.610 177.584 -0.155 0.000 1.169 113 A CA 1.648 53.503 52.037 -0.303 0.000 0.635 113 A CB -0.530 18.054 19.000 -0.693 0.000 0.810 113 A HN 0.222 nan 8.150 nan 0.000 0.446 114 V N -3.471 116.393 119.914 -0.084 0.000 3.649 114 V HA 0.166 4.287 4.120 0.000 0.000 0.275 114 V C 1.545 177.683 176.094 0.075 0.000 1.281 114 V CA 1.006 63.345 62.300 0.066 0.000 1.143 114 V CB -0.460 31.501 31.823 0.229 0.000 0.892 114 V HN 0.408 nan 8.190 nan 0.000 0.441 115 K N 1.716 122.136 120.400 0.033 0.000 2.026 115 K HA -0.019 4.301 4.320 0.000 0.000 0.208 115 K C 1.152 177.773 176.600 0.035 0.000 1.048 115 K CA 1.880 58.187 56.287 0.034 0.000 0.929 115 K CB -0.120 32.386 32.500 0.010 0.000 0.713 115 K HN 0.791 nan 8.250 nan 0.000 0.439 116 T N -3.555 111.016 114.554 0.028 0.000 2.916 116 T HA 0.269 4.620 4.350 0.000 0.000 0.292 116 T C -2.478 172.242 174.700 0.033 0.000 1.064 116 T CA -2.068 60.049 62.100 0.028 0.000 1.011 116 T CB 1.911 70.790 68.868 0.018 0.000 1.152 116 T HN -0.274 nan 8.240 nan 0.000 0.510 117 P HA -0.053 nan 4.420 nan 0.000 0.216 117 P C 1.637 178.955 177.300 0.030 0.000 1.153 117 P CA 1.748 64.865 63.100 0.029 0.000 0.858 117 P CB -0.246 31.468 31.700 0.022 0.000 0.789 118 A N -0.098 122.737 122.820 0.024 0.000 1.898 118 A HA -0.179 4.141 4.320 0.000 0.000 0.216 118 A C 2.401 180.003 177.584 0.031 0.000 1.181 118 A CA 2.314 54.365 52.037 0.023 0.000 0.620 118 A CB -1.621 17.388 19.000 0.015 0.000 0.819 118 A HN 0.334 nan 8.150 nan 0.000 0.442 119 S N -0.108 115.610 115.700 0.030 0.000 2.383 119 S HA -0.160 4.310 4.470 0.000 0.000 0.227 119 S C 2.024 176.673 174.600 0.081 0.000 1.026 119 S CA 1.120 59.341 58.200 0.035 0.000 0.981 119 S CB -0.473 62.731 63.200 0.006 0.000 0.818 119 S HN 0.596 nan 8.310 nan 0.000 0.472 120 R N 1.026 121.576 120.500 0.085 0.000 2.081 120 R HA -0.027 4.314 4.340 0.000 0.000 0.235 120 R C 2.929 179.299 176.300 0.117 0.000 1.131 120 R CA 1.810 57.992 56.100 0.136 0.000 0.960 120 R CB -1.553 28.807 30.300 0.101 0.000 0.856 120 R HN 0.716 nan 8.270 nan 0.000 0.436 121 T N 1.176 115.769 114.554 0.065 0.000 2.708 121 T HA -0.227 4.123 4.350 0.000 0.000 0.266 121 T C 1.872 176.593 174.700 0.034 0.000 1.037 121 T CA 1.765 63.886 62.100 0.035 0.000 1.146 121 T CB -0.231 68.651 68.868 0.023 0.000 0.865 121 T HN 0.145 nan 8.240 nan 0.000 0.435 122 K N -0.757 119.675 120.400 0.053 0.000 2.026 122 K HA -0.055 4.265 4.320 0.000 0.000 0.208 122 K C 2.013 178.662 176.600 0.082 0.000 1.048 122 K CA 1.432 57.751 56.287 0.052 0.000 0.929 122 K CB -0.317 32.213 32.500 0.050 0.000 0.713 122 K HN 0.407 nan 8.250 nan 0.000 0.439 123 F N 1.414 121.345 119.950 -0.032 0.000 2.075 123 F HA -0.110 4.418 4.527 0.000 0.000 0.297 123 F C 2.009 177.798 175.800 -0.019 0.000 1.113 123 F CA 1.456 59.431 58.000 -0.042 0.000 1.218 123 F CB -0.859 38.105 39.000 -0.060 0.000 0.984 123 F HN 0.093 nan 8.300 nan 0.000 0.472 124 A N 0.189 122.856 122.820 -0.254 0.000 1.883 124 A HA -0.284 4.037 4.320 0.000 0.000 0.217 124 A C 2.149 179.594 177.584 -0.232 0.000 1.186 124 A CA 2.081 53.921 52.037 -0.329 0.000 0.624 124 A CB -1.066 17.859 19.000 -0.125 0.000 0.822 124 A HN 0.629 nan 8.150 nan 0.000 0.444 125 Q N 0.028 119.754 119.800 -0.122 0.000 2.096 125 Q HA -0.168 4.172 4.340 0.000 0.000 0.204 125 Q C 2.476 178.424 176.000 -0.087 0.000 0.982 125 Q CA 2.105 57.860 55.803 -0.080 0.000 0.850 125 Q CB -0.306 28.409 28.738 -0.038 0.000 0.901 125 Q HN 0.889 nan 8.270 nan 0.000 0.422 126 S N -0.429 115.212 115.700 -0.099 0.000 2.382 126 S HA -0.166 4.304 4.470 0.000 0.000 0.228 126 S C 2.149 176.694 174.600 -0.091 0.000 1.027 126 S CA 1.091 59.251 58.200 -0.067 0.000 0.991 126 S CB -0.722 62.467 63.200 -0.019 0.000 0.823 126 S HN 0.435 nan 8.310 nan 0.000 0.469 127 C N 1.260 120.434 119.300 -0.210 0.000 2.432 127 C HA 0.020 4.481 4.460 0.000 0.000 0.277 127 C C 2.806 177.821 174.990 0.041 0.000 1.249 127 C CA 0.740 59.709 59.018 -0.081 0.000 1.725 127 C CB -1.432 26.137 27.740 -0.283 0.000 2.028 127 C HN 0.542 nan 8.230 nan 0.000 0.477 128 V N 0.508 120.393 119.914 -0.050 0.000 2.427 128 V HA -0.186 3.934 4.120 0.000 0.000 0.248 128 V C 2.658 178.730 176.094 -0.037 0.000 1.051 128 V CA 1.681 63.950 62.300 -0.053 0.000 1.048 128 V CB -0.715 31.056 31.823 -0.086 0.000 0.666 128 V HN 0.477 nan 8.190 nan 0.000 0.456 129 R N -0.407 120.077 120.500 -0.027 0.000 2.073 129 R HA -0.117 4.223 4.340 0.000 0.000 0.234 129 R C 2.307 178.624 176.300 0.028 0.000 1.134 129 R CA 1.554 57.650 56.100 -0.007 0.000 0.952 129 R CB -0.285 30.016 30.300 0.002 0.000 0.850 129 R HN 0.343 nan 8.270 nan 0.000 0.433 130 I N 0.933 121.522 120.570 0.032 0.000 2.226 130 I HA -0.317 3.853 4.170 0.000 0.000 0.245 130 I C 2.512 178.665 176.117 0.061 0.000 1.100 130 I CA 1.330 62.664 61.300 0.058 0.000 1.374 130 I CB -0.843 37.036 38.000 -0.202 0.000 1.057 130 I HN 0.338 nan 8.210 nan 0.000 0.413 131 M N 0.427 120.034 119.600 0.011 0.000 2.080 131 M HA -0.258 4.222 4.480 0.000 0.000 0.260 131 M C 2.164 178.539 176.300 0.124 0.000 1.068 131 M CA 1.885 57.295 55.300 0.184 0.000 1.109 131 M CB -0.110 32.630 32.600 0.233 0.000 1.342 131 M HN 0.009 nan 8.290 nan 0.000 0.405 132 K N 0.036 120.445 120.400 0.015 0.000 2.103 132 K HA -0.116 4.204 4.320 0.000 0.000 0.204 132 K C 1.676 178.252 176.600 -0.040 0.000 1.052 132 K CA 1.406 57.678 56.287 -0.024 0.000 0.945 132 K CB -0.802 31.666 32.500 -0.055 0.000 0.722 132 K HN 0.429 nan 8.250 nan 0.000 0.443 133 D N 0.030 120.406 120.400 -0.040 0.000 2.117 133 D HA -0.163 4.477 4.640 0.000 0.000 0.197 133 D C 1.398 177.476 176.300 -0.370 0.000 0.987 133 D CA 1.304 55.190 54.000 -0.189 0.000 0.829 133 D CB 0.040 40.725 40.800 -0.192 0.000 0.961 133 D HN 0.195 nan 8.370 nan 0.000 0.460 134 Y N -1.022 119.214 120.300 -0.106 0.000 2.500 134 Y HA 0.314 4.865 4.550 0.000 0.000 0.270 134 Y C 1.770 177.421 175.900 -0.415 0.000 1.134 134 Y CA 0.514 58.463 58.100 -0.252 0.000 1.293 134 Y CB 0.634 38.954 38.460 -0.234 0.000 1.063 134 Y HN 0.095 nan 8.280 nan 0.000 0.534 135 G N -0.372 108.326 108.800 -0.169 0.000 2.142 135 G HA2 -0.261 3.699 3.960 0.000 0.000 0.225 135 G HA3 -0.261 3.699 3.960 0.000 0.000 0.225 135 G C -0.203 174.638 174.900 -0.098 0.000 1.015 135 G CA -0.551 44.467 45.100 -0.136 0.000 0.716 135 G HN 0.117 nan 8.290 nan 0.000 0.508 136 F N 0.336 120.361 119.950 0.125 0.000 2.378 136 F HA 0.464 4.991 4.527 0.000 0.000 0.319 136 F C 1.367 177.310 175.800 0.238 0.000 1.155 136 F CA -0.446 57.673 58.000 0.199 0.000 1.157 136 F CB 0.698 39.889 39.000 0.318 0.000 1.252 136 F HN -0.012 nan 8.300 nan 0.000 0.550 137 D N 0.155 120.857 120.400 0.503 0.000 2.369 137 D HA 0.288 4.929 4.640 0.000 0.000 0.211 137 D C 0.642 177.203 176.300 0.436 0.000 1.077 137 D CA 0.472 54.732 54.000 0.435 0.000 0.842 137 D CB 0.788 41.752 40.800 0.272 0.000 0.947 137 D HN 0.619 nan 8.370 nan 0.000 0.509 138 G N -0.389 108.622 108.800 0.352 0.000 2.328 138 G HA2 0.345 4.305 3.960 0.000 0.000 0.295 138 G HA3 0.345 4.305 3.960 0.000 0.000 0.295 138 G C -1.829 173.049 174.900 -0.036 0.000 1.413 138 G CA -0.607 44.612 45.100 0.199 0.000 0.817 138 G HN -0.074 nan 8.290 nan 0.000 0.546 139 V N 0.542 120.346 119.914 -0.184 0.000 2.495 139 V HA 0.628 4.748 4.120 0.000 0.000 0.298 139 V C -0.877 175.031 176.094 -0.309 0.000 1.031 139 V CA -0.470 61.512 62.300 -0.529 0.000 0.871 139 V CB 1.727 33.283 31.823 -0.444 0.000 0.988 139 V HN 0.872 nan 8.190 nan 0.000 0.432 140 D N 3.873 124.066 120.400 -0.346 0.000 2.375 140 D HA 0.521 5.162 4.640 0.000 0.000 0.247 140 D C -0.913 175.382 176.300 -0.008 0.000 1.061 140 D CA -0.421 53.524 54.000 -0.091 0.000 0.834 140 D CB 1.250 42.038 40.800 -0.020 0.000 1.247 140 D HN 0.256 nan 8.370 nan 0.000 0.489 141 I N 3.326 123.956 120.570 0.100 0.000 2.354 141 I HA 0.243 4.414 4.170 0.000 0.000 0.292 141 I C -0.213 176.050 176.117 0.243 0.000 0.989 141 I CA -0.508 60.919 61.300 0.213 0.000 1.188 141 I CB 1.349 39.527 38.000 0.296 0.000 1.342 141 I HN 0.496 nan 8.210 nan 0.000 0.457 142 D N 6.808 127.339 120.400 0.218 0.000 2.749 142 D HA 0.059 4.699 4.640 0.000 0.000 0.338 142 D C -0.838 175.414 176.300 -0.079 0.000 1.236 142 D CA -0.333 53.713 54.000 0.077 0.000 0.845 142 D CB 0.298 41.162 40.800 0.106 0.000 1.080 142 D HN 0.341 nan 8.370 nan 0.000 0.497 143 W N 2.364 123.508 121.300 -0.261 0.000 2.358 143 W HA 0.357 5.018 4.660 0.000 0.000 0.307 143 W C -0.666 175.444 176.519 -0.681 0.000 1.203 143 W CA -0.815 56.239 57.345 -0.485 0.000 1.279 143 W CB 0.313 29.572 29.460 -0.335 0.000 1.264 143 W HN 0.175 nan 8.180 nan 0.000 0.474 144 E N 6.548 126.454 120.200 -0.490 0.000 2.267 144 E HA 0.220 4.570 4.350 0.000 0.000 0.241 144 E C -1.446 174.764 176.600 -0.651 0.000 0.950 144 E CA -0.270 55.372 56.400 -1.264 0.000 0.776 144 E CB 0.682 29.686 29.700 -1.159 0.000 1.207 144 E HN 0.269 nan 8.360 nan 0.000 0.436 145 Y N 0.241 120.397 120.300 -0.239 0.000 2.597 145 Y HA 0.319 4.869 4.550 0.000 0.000 0.340 145 Y C -2.458 172.968 175.900 -0.789 0.000 1.097 145 Y CA -2.880 54.937 58.100 -0.471 0.000 1.037 145 Y CB 1.222 39.524 38.460 -0.264 0.000 1.305 145 Y HN 0.262 nan 8.280 nan 0.000 0.463 146 P HA 0.085 nan 4.420 nan 0.000 0.271 146 P C -0.629 176.406 177.300 -0.441 0.000 1.216 146 P CA -0.209 62.031 63.100 -1.434 0.000 0.776 146 P CB 0.717 31.258 31.700 -1.932 0.000 0.881 147 Q N 1.299 120.983 119.800 -0.194 0.000 2.212 147 Q HA 0.347 4.687 4.340 0.000 0.000 0.238 147 Q C 1.530 177.503 176.000 -0.045 0.000 0.955 147 Q CA -0.352 55.429 55.803 -0.038 0.000 0.906 147 Q CB 1.171 29.936 28.738 0.045 0.000 1.215 147 Q HN 0.475 nan 8.270 nan 0.000 0.478 148 A N 1.720 124.533 122.820 -0.013 0.000 1.896 148 A HA -0.298 4.023 4.320 0.000 0.000 0.220 148 A C 1.816 179.403 177.584 0.004 0.000 1.206 148 A CA 2.814 54.847 52.037 -0.005 0.000 0.647 148 A CB -1.014 17.981 19.000 -0.009 0.000 0.828 148 A HN 0.800 nan 8.150 nan 0.000 0.455 149 A N -0.992 121.837 122.820 0.015 0.000 2.125 149 A HA -0.073 4.248 4.320 0.000 0.000 0.219 149 A C 1.740 179.347 177.584 0.039 0.000 1.156 149 A CA 1.655 53.708 52.037 0.028 0.000 0.671 149 A CB -0.411 18.610 19.000 0.034 0.000 0.794 149 A HN 0.694 nan 8.150 nan 0.000 0.459 150 E N -0.906 119.309 120.200 0.026 0.000 2.452 150 E HA 0.071 4.421 4.350 0.000 0.000 0.197 150 E C 1.565 178.181 176.600 0.026 0.000 1.022 150 E CA 0.268 56.696 56.400 0.047 0.000 0.890 150 E CB 0.186 29.922 29.700 0.060 0.000 0.918 150 E HN 0.344 nan 8.360 nan 0.000 0.496 151 V N 1.878 121.790 119.914 -0.004 0.000 2.332 151 V HA -0.286 3.835 4.120 0.000 0.000 0.248 151 V C 1.509 177.683 176.094 0.133 0.000 1.055 151 V CA 2.033 64.367 62.300 0.055 0.000 1.038 151 V CB -0.368 31.489 31.823 0.058 0.000 0.651 151 V HN 0.239 nan 8.190 nan 0.000 0.450 152 D N 0.633 121.087 120.400 0.091 0.000 2.144 152 D HA -0.092 4.548 4.640 0.000 0.000 0.199 152 D C 2.217 178.576 176.300 0.099 0.000 0.984 152 D CA 1.571 55.619 54.000 0.081 0.000 0.834 152 D CB -0.579 40.256 40.800 0.057 0.000 0.955 152 D HN 0.470 nan 8.370 nan 0.000 0.465 153 G N -0.112 108.763 108.800 0.124 0.000 2.408 153 G HA2 -0.256 3.704 3.960 0.000 0.000 0.217 153 G HA3 -0.256 3.704 3.960 0.000 0.000 0.217 153 G C 1.465 176.486 174.900 0.202 0.000 1.150 153 G CA 0.194 45.379 45.100 0.141 0.000 0.776 153 G HN 0.214 nan 8.290 nan 0.000 0.542 154 F N 1.638 121.623 119.950 0.059 0.000 2.095 154 F HA -0.061 4.466 4.527 0.000 0.000 0.298 154 F C 2.443 178.269 175.800 0.043 0.000 1.104 154 F CA 1.185 59.222 58.000 0.061 0.000 1.232 154 F CB -0.323 38.619 39.000 -0.097 0.000 0.987 154 F HN 0.111 nan 8.300 nan 0.000 0.475 155 I N 0.151 120.722 120.570 0.002 0.000 2.226 155 I HA -0.309 3.861 4.170 0.000 0.000 0.245 155 I C 2.653 178.718 176.117 -0.085 0.000 1.100 155 I CA 1.321 62.553 61.300 -0.113 0.000 1.374 155 I CB -0.934 37.061 38.000 -0.009 0.000 1.057 155 I HN 0.228 nan 8.210 nan 0.000 0.413 156 A N 0.551 123.365 122.820 -0.010 0.000 1.969 156 A HA -0.101 4.219 4.320 0.000 0.000 0.218 156 A C 2.513 180.100 177.584 0.004 0.000 1.169 156 A CA 1.671 53.710 52.037 0.004 0.000 0.635 156 A CB -0.704 18.316 19.000 0.033 0.000 0.810 156 A HN 0.432 nan 8.150 nan 0.000 0.445 157 A N -0.110 122.722 122.820 0.019 0.000 1.898 157 A HA 0.001 4.321 4.320 0.000 0.000 0.216 157 A C 2.142 179.719 177.584 -0.011 0.000 1.181 157 A CA 1.394 53.473 52.037 0.070 0.000 0.620 157 A CB -0.574 18.534 19.000 0.180 0.000 0.819 157 A HN 0.460 nan 8.150 nan 0.000 0.442 158 L N -0.849 120.288 121.223 -0.143 0.000 2.046 158 L HA -0.264 4.077 4.340 0.000 0.000 0.208 158 L C 2.897 179.707 176.870 -0.101 0.000 1.077 158 L CA 1.637 56.372 54.840 -0.175 0.000 0.747 158 L CB -0.658 41.205 42.059 -0.327 0.000 0.896 158 L HN 0.476 nan 8.230 nan 0.000 0.432 159 Q N -0.336 119.415 119.800 -0.082 0.000 2.096 159 Q HA -0.276 4.064 4.340 0.000 0.000 0.204 159 Q C 2.134 178.114 176.000 -0.032 0.000 0.982 159 Q CA 1.841 57.615 55.803 -0.049 0.000 0.850 159 Q CB -0.089 28.629 28.738 -0.034 0.000 0.901 159 Q HN 0.350 nan 8.270 nan 0.000 0.422 160 E N 0.997 121.184 120.200 -0.022 0.000 2.072 160 E HA -0.155 4.196 4.350 0.000 0.000 0.191 160 E C 1.677 178.257 176.600 -0.032 0.000 0.985 160 E CA 1.088 57.479 56.400 -0.015 0.000 0.801 160 E CB -0.182 29.521 29.700 0.005 0.000 0.750 160 E HN 0.336 nan 8.360 nan 0.000 0.452 161 I N 0.301 120.841 120.570 -0.049 0.000 2.163 161 I HA -0.288 3.882 4.170 0.000 0.000 0.243 161 I C 2.556 178.644 176.117 -0.048 0.000 1.085 161 I CA 1.330 62.586 61.300 -0.074 0.000 1.347 161 I CB -0.350 37.591 38.000 -0.098 0.000 1.044 161 I HN 0.112 nan 8.210 nan 0.000 0.408 162 R N 1.262 121.737 120.500 -0.041 0.000 2.094 162 R HA -0.177 4.163 4.340 0.000 0.000 0.239 162 R C 2.138 178.433 176.300 -0.008 0.000 1.137 162 R CA 2.592 58.678 56.100 -0.023 0.000 0.943 162 R CB -1.352 28.930 30.300 -0.030 0.000 0.850 162 R HN 0.245 nan 8.270 nan 0.000 0.433 163 T N 1.555 116.102 114.554 -0.012 0.000 2.684 163 T HA -0.109 4.242 4.350 0.000 0.000 0.267 163 T C 1.771 176.472 174.700 0.001 0.000 1.036 163 T CA 1.747 63.844 62.100 -0.004 0.000 1.148 163 T CB -0.243 68.621 68.868 -0.006 0.000 0.863 163 T HN 0.172 nan 8.240 nan 0.000 0.436 164 L N 0.260 121.477 121.223 -0.010 0.000 2.093 164 L HA -0.018 4.322 4.340 0.000 0.000 0.208 164 L C 2.512 179.385 176.870 0.004 0.000 1.085 164 L CA 1.026 55.859 54.840 -0.012 0.000 0.755 164 L CB -0.644 41.393 42.059 -0.037 0.000 0.904 164 L HN 0.268 nan 8.230 nan 0.000 0.435 165 L N -0.355 120.876 121.223 0.013 0.000 2.056 165 L HA -0.189 4.152 4.340 0.000 0.000 0.207 165 L C 2.331 179.284 176.870 0.138 0.000 1.078 165 L CA 1.071 55.951 54.840 0.067 0.000 0.749 165 L CB -0.593 41.510 42.059 0.074 0.000 0.901 165 L HN 0.323 nan 8.230 nan 0.000 0.433 166 N N -0.190 118.559 118.700 0.082 0.000 2.120 166 N HA -0.230 4.510 4.740 0.000 0.000 0.188 166 N C 1.817 177.371 175.510 0.074 0.000 1.024 166 N CA 1.028 54.121 53.050 0.073 0.000 0.852 166 N CB -0.270 38.238 38.487 0.035 0.000 1.003 166 N HN 0.240 nan 8.380 nan 0.000 0.424 167 Q N 0.835 120.669 119.800 0.058 0.000 2.119 167 Q HA -0.108 4.232 4.340 0.000 0.000 0.201 167 Q C 1.909 177.956 176.000 0.079 0.000 0.972 167 Q CA 1.465 57.297 55.803 0.050 0.000 0.847 167 Q CB -0.360 28.395 28.738 0.029 0.000 0.903 167 Q HN 0.244 nan 8.270 nan 0.000 0.433 168 Q N -0.710 119.154 119.800 0.107 0.000 2.124 168 Q HA -0.086 4.254 4.340 0.000 0.000 0.202 168 Q C 1.867 178.050 176.000 0.305 0.000 0.977 168 Q CA 2.170 58.068 55.803 0.158 0.000 0.850 168 Q CB -0.607 28.169 28.738 0.064 0.000 0.901 168 Q HN 0.465 nan 8.270 nan 0.000 0.429 169 T N 0.495 115.238 114.554 0.315 0.000 2.652 169 T HA -0.141 4.209 4.350 0.000 0.000 0.267 169 T C 1.689 176.426 174.700 0.060 0.000 1.039 169 T CA 1.613 63.795 62.100 0.137 0.000 1.153 169 T CB -0.285 68.602 68.868 0.032 0.000 0.863 169 T HN 0.280 nan 8.240 nan 0.000 0.428 170 I N 0.866 121.471 120.570 0.058 0.000 2.179 170 I HA -0.186 3.984 4.170 0.000 0.000 0.242 170 I C 2.734 178.875 176.117 0.040 0.000 1.088 170 I CA 1.177 62.496 61.300 0.032 0.000 1.357 170 I CB -0.732 37.284 38.000 0.026 0.000 1.051 170 I HN 0.248 nan 8.210 nan 0.000 0.409 171 T N 0.141 114.730 114.554 0.059 0.000 2.720 171 T HA -0.190 4.160 4.350 0.000 0.000 0.268 171 T C 1.250 175.985 174.700 0.059 0.000 1.037 171 T CA 1.608 63.741 62.100 0.054 0.000 1.144 171 T CB -0.267 68.635 68.868 0.058 0.000 0.864 171 T HN 0.294 nan 8.240 nan 0.000 0.444 172 D N 0.164 120.620 120.400 0.094 0.000 2.340 172 D HA 0.230 4.871 4.640 0.000 0.000 0.220 172 D C 1.384 177.703 176.300 0.031 0.000 1.039 172 D CA 0.374 54.426 54.000 0.087 0.000 0.866 172 D CB -0.379 40.532 40.800 0.185 0.000 0.913 172 D HN 0.455 nan 8.370 nan 0.000 0.523 173 G N 1.824 110.631 108.800 0.012 0.000 2.323 173 G HA2 -0.331 3.629 3.960 0.000 0.000 0.292 173 G HA3 -0.331 3.629 3.960 0.000 0.000 0.292 173 G C 0.819 175.691 174.900 -0.046 0.000 1.040 173 G CA -0.141 44.951 45.100 -0.013 0.000 0.942 173 G HN 0.190 nan 8.290 nan 0.000 0.506 174 R N -0.728 119.719 120.500 -0.088 0.000 2.568 174 R HA 0.157 4.497 4.340 0.000 0.000 0.288 174 R C 1.968 178.168 176.300 -0.167 0.000 1.077 174 R CA 0.112 56.104 56.100 -0.180 0.000 1.102 174 R CB 0.196 30.248 30.300 -0.412 0.000 1.278 174 R HN 0.572 nan 8.270 nan 0.000 0.560 175 Q N 0.064 119.806 119.800 -0.097 0.000 2.234 175 Q HA -0.084 4.256 4.340 0.000 0.000 0.206 175 Q C 1.903 177.860 176.000 -0.072 0.000 0.980 175 Q CA 1.884 57.643 55.803 -0.074 0.000 0.869 175 Q CB -0.133 28.578 28.738 -0.044 0.000 0.912 175 Q HN 0.308 nan 8.270 nan 0.000 0.436 176 A N -0.584 122.192 122.820 -0.073 0.000 2.014 176 A HA 0.057 4.377 4.320 0.000 0.000 0.218 176 A C 0.834 178.375 177.584 -0.071 0.000 1.163 176 A CA 0.651 52.652 52.037 -0.060 0.000 0.652 176 A CB 0.259 19.229 19.000 -0.051 0.000 0.808 176 A HN 0.292 nan 8.150 nan 0.000 0.449 177 L N 0.030 121.188 121.223 -0.110 0.000 2.448 177 L HA 0.383 4.724 4.340 0.000 0.000 0.257 177 L C -2.941 173.809 176.870 -0.199 0.000 1.504 177 L CA -1.836 52.934 54.840 -0.117 0.000 0.852 177 L CB 1.411 43.408 42.059 -0.103 0.000 1.051 177 L HN -0.138 nan 8.230 nan 0.000 0.518 178 P HA 0.001 nan 4.420 nan 0.000 0.265 178 P C -0.997 176.209 177.300 -0.155 0.000 1.187 178 P CA 0.356 63.341 63.100 -0.192 0.000 0.766 178 P CB 0.114 31.769 31.700 -0.075 0.000 0.820 179 Y N 1.044 121.366 120.300 0.036 0.000 2.497 179 Y HA 0.116 4.667 4.550 0.001 0.000 0.334 179 Y C 1.423 177.348 175.900 0.043 0.000 1.199 179 Y CA 0.748 58.879 58.100 0.052 0.000 1.425 179 Y CB 0.092 38.585 38.460 0.054 0.000 1.291 179 Y HN 0.343 nan 8.280 nan 0.000 0.562 180 Q N 1.728 121.661 119.800 0.221 0.000 2.359 180 Q HA 0.694 5.035 4.340 0.000 0.000 0.275 180 Q C -1.668 174.385 176.000 0.087 0.000 1.082 180 Q CA -1.397 54.488 55.803 0.137 0.000 0.849 180 Q CB 2.792 31.636 28.738 0.176 0.000 1.377 180 Q HN 0.534 nan 8.270 nan 0.000 0.452 181 L N 0.617 121.865 121.223 0.041 0.000 2.438 181 L HA 0.617 4.957 4.340 0.000 0.000 0.270 181 L C -1.100 175.775 176.870 0.010 0.000 0.972 181 L CA 0.090 54.928 54.840 -0.002 0.000 0.831 181 L CB 2.169 44.212 42.059 -0.027 0.000 1.273 181 L HN 0.837 nan 8.230 nan 0.000 0.405 182 T N 2.647 117.211 114.554 0.017 0.000 2.838 182 T HA 0.837 5.187 4.350 0.000 0.000 0.292 182 T C -0.424 174.317 174.700 0.068 0.000 1.113 182 T CA -0.546 61.589 62.100 0.059 0.000 1.008 182 T CB 1.550 70.471 68.868 0.090 0.000 1.259 182 T HN 0.890 nan 8.240 nan 0.000 0.520 183 I N -1.940 118.698 120.570 0.113 0.000 2.994 183 I HA 0.891 5.061 4.170 0.000 0.000 0.306 183 I C -0.842 175.388 176.117 0.189 0.000 1.195 183 I CA -1.863 59.532 61.300 0.158 0.000 1.001 183 I CB 1.896 40.004 38.000 0.180 0.000 1.244 183 I HN 0.950 nan 8.210 nan 0.000 0.437 184 A N 2.650 125.592 122.820 0.203 0.000 2.274 184 A HA 0.823 5.143 4.320 0.000 0.000 0.309 184 A C 0.083 177.761 177.584 0.157 0.000 1.226 184 A CA -0.111 52.036 52.037 0.183 0.000 0.853 184 A CB 0.454 19.526 19.000 0.120 0.000 1.146 184 A HN 1.110 nan 8.150 nan 0.000 0.518 185 G N 0.578 109.493 108.800 0.191 0.000 2.454 185 G HA2 0.652 4.613 3.960 0.000 0.000 0.329 185 G HA3 0.652 4.613 3.960 0.000 0.000 0.329 185 G C 0.149 175.250 174.900 0.335 0.000 1.177 185 G CA -0.076 45.207 45.100 0.304 0.000 0.951 185 G HN 1.382 nan 8.290 nan 0.000 0.485 186 A N -0.551 122.540 122.820 0.451 0.000 2.520 186 A HA 0.512 4.832 4.320 0.000 0.000 0.235 186 A C 1.335 178.993 177.584 0.123 0.000 1.065 186 A CA 0.639 52.783 52.037 0.177 0.000 0.764 186 A CB 0.427 19.299 19.000 -0.212 0.000 1.002 186 A HN 1.545 nan 8.150 nan 0.000 0.502 187 G N 0.859 109.678 108.800 0.031 0.000 3.377 187 G HA2 0.476 4.436 3.960 0.000 0.000 0.257 187 G HA3 0.476 4.436 3.960 0.000 0.000 0.257 187 G C 0.388 175.291 174.900 0.005 0.000 1.038 187 G CA 0.615 45.711 45.100 -0.006 0.000 0.809 187 G HN 1.252 nan 8.290 nan 0.000 0.526 188 G N -1.118 107.688 108.800 0.010 0.000 2.591 188 G HA2 0.540 4.500 3.960 0.000 0.000 0.306 188 G HA3 0.540 4.500 3.960 0.000 0.000 0.306 188 G C 0.805 175.645 174.900 -0.100 0.000 1.334 188 G CA 0.323 45.421 45.100 -0.003 0.000 0.981 188 G HN 0.313 nan 8.290 nan 0.000 0.491 189 A N 1.318 124.017 122.820 -0.202 0.000 1.986 189 A HA -0.008 4.313 4.320 0.000 0.000 0.220 189 A C 1.916 179.199 177.584 -0.502 0.000 1.171 189 A CA 1.702 53.477 52.037 -0.437 0.000 0.640 189 A CB -0.548 18.145 19.000 -0.511 0.000 0.811 189 A HN 0.610 nan 8.150 nan 0.000 0.451 190 F N -1.468 118.365 119.950 -0.195 0.000 2.075 190 F HA -0.107 4.421 4.527 0.001 0.000 0.297 190 F C 2.057 177.640 175.800 -0.362 0.000 1.113 190 F CA 1.524 59.350 58.000 -0.290 0.000 1.218 190 F CB -0.868 37.916 39.000 -0.360 0.000 0.984 190 F HN 0.219 nan 8.300 nan 0.000 0.472 191 F N -0.781 119.069 119.950 -0.167 0.000 2.293 191 F HA -0.049 4.478 4.527 0.000 0.000 0.297 191 F C 2.162 177.631 175.800 -0.552 0.000 1.089 191 F CA 0.434 58.185 58.000 -0.415 0.000 1.377 191 F CB -0.965 37.560 39.000 -0.793 0.000 1.051 191 F HN -0.111 nan 8.300 nan 0.000 0.511 192 L N 0.369 121.378 121.223 -0.356 0.000 2.131 192 L HA -0.186 4.154 4.340 0.000 0.000 0.210 192 L C 2.538 179.011 176.870 -0.662 0.000 1.092 192 L CA 2.009 56.486 54.840 -0.605 0.000 0.759 192 L CB -1.172 40.633 42.059 -0.424 0.000 0.903 192 L HN 0.184 nan 8.230 nan 0.000 0.435 193 S N -0.918 114.496 115.700 -0.477 0.000 2.440 193 S HA -0.229 4.241 4.470 0.000 0.000 0.238 193 S C 2.030 176.455 174.600 -0.293 0.000 1.010 193 S CA 0.985 58.943 58.200 -0.403 0.000 0.972 193 S CB -0.667 62.327 63.200 -0.344 0.000 0.774 193 S HN 0.583 nan 8.310 nan 0.000 0.501 194 R N 0.340 120.674 120.500 -0.277 0.000 2.096 194 R HA -0.068 4.272 4.340 0.000 0.000 0.235 194 R C 1.715 177.971 176.300 -0.074 0.000 1.127 194 R CA 1.836 57.859 56.100 -0.128 0.000 0.968 194 R CB -0.387 29.905 30.300 -0.013 0.000 0.861 194 R HN 0.902 nan 8.270 nan 0.000 0.440 195 Y N -4.943 115.308 120.300 -0.081 0.000 2.563 195 Y HA 0.236 4.786 4.550 0.000 0.000 0.250 195 Y C 1.387 177.267 175.900 -0.033 0.000 1.126 195 Y CA -1.312 56.748 58.100 -0.066 0.000 1.231 195 Y CB -0.683 37.723 38.460 -0.089 0.000 1.288 195 Y HN -0.125 nan 8.280 nan 0.000 0.537 196 Y N 2.850 122.875 120.300 -0.457 0.000 2.139 196 Y HA -0.346 4.204 4.550 0.000 0.000 0.282 196 Y C 2.696 178.490 175.900 -0.176 0.000 1.179 196 Y CA 2.548 60.429 58.100 -0.365 0.000 1.161 196 Y CB -0.559 37.629 38.460 -0.455 0.000 0.970 196 Y HN 0.365 nan 8.280 nan 0.000 0.511 197 S N -0.703 114.895 115.700 -0.171 0.000 2.419 197 S HA -0.194 4.276 4.470 0.000 0.000 0.235 197 S C 1.429 175.936 174.600 -0.155 0.000 1.019 197 S CA 1.543 59.613 58.200 -0.217 0.000 0.982 197 S CB -0.409 62.705 63.200 -0.144 0.000 0.789 197 S HN 0.565 nan 8.310 nan 0.000 0.490 198 K N 0.402 120.762 120.400 -0.066 0.000 2.593 198 K HA 0.434 4.754 4.320 0.000 0.000 0.208 198 K C 0.993 177.605 176.600 0.020 0.000 1.051 198 K CA -0.215 56.068 56.287 -0.007 0.000 1.111 198 K CB 0.077 32.603 32.500 0.043 0.000 0.849 198 K HN 0.255 nan 8.250 nan 0.000 0.479 199 L N 0.745 121.944 121.223 -0.041 0.000 2.013 199 L HA -0.299 4.042 4.340 0.000 0.000 0.212 199 L C 2.430 179.315 176.870 0.025 0.000 1.073 199 L CA 1.674 56.523 54.840 0.015 0.000 0.753 199 L CB -0.399 41.595 42.059 -0.109 0.000 0.890 199 L HN 0.363 nan 8.230 nan 0.000 0.432 200 A N -0.593 122.222 122.820 -0.009 0.000 1.883 200 A HA -0.298 4.022 4.320 0.000 0.000 0.217 200 A C 2.117 179.709 177.584 0.014 0.000 1.186 200 A CA 1.937 53.979 52.037 0.009 0.000 0.624 200 A CB -0.570 18.433 19.000 0.005 0.000 0.822 200 A HN 0.551 nan 8.150 nan 0.000 0.444 201 Q N -0.717 119.090 119.800 0.012 0.000 2.119 201 Q HA -0.063 4.277 4.340 0.000 0.000 0.201 201 Q C 2.034 178.031 176.000 -0.004 0.000 0.972 201 Q CA 1.372 57.179 55.803 0.006 0.000 0.847 201 Q CB -0.298 28.447 28.738 0.012 0.000 0.903 201 Q HN 0.751 nan 8.270 nan 0.000 0.433 202 I N -0.115 120.465 120.570 0.018 0.000 2.252 202 I HA -0.218 3.953 4.170 0.000 0.000 0.245 202 I C 2.001 178.112 176.117 -0.010 0.000 1.102 202 I CA 0.843 62.142 61.300 -0.001 0.000 1.385 202 I CB -0.039 38.008 38.000 0.079 0.000 1.064 202 I HN 0.027 nan 8.210 nan 0.000 0.414 203 V N 0.823 120.754 119.914 0.030 0.000 2.871 203 V HA -0.115 4.006 4.120 0.000 0.000 0.256 203 V C 2.605 178.697 176.094 -0.002 0.000 1.082 203 V CA 1.275 63.593 62.300 0.031 0.000 1.105 203 V CB -0.643 31.221 31.823 0.070 0.000 0.713 203 V HN 0.428 nan 8.190 nan 0.000 0.473 204 A N 1.683 124.498 122.820 -0.009 0.000 1.892 204 A HA -0.154 4.167 4.320 0.000 0.000 0.218 204 A C 0.767 178.330 177.584 -0.034 0.000 1.188 204 A CA 2.290 54.316 52.037 -0.019 0.000 0.631 204 A CB -1.810 17.181 19.000 -0.015 0.000 0.822 204 A HN 0.599 nan 8.150 nan 0.000 0.447 205 P HA 0.150 nan 4.420 nan 0.000 0.245 205 P C -0.010 177.256 177.300 -0.057 0.000 1.212 205 P CA 0.355 63.424 63.100 -0.053 0.000 0.774 205 P CB -0.108 31.553 31.700 -0.066 0.000 0.999 206 L N -0.305 120.885 121.223 -0.056 0.000 2.375 206 L HA 0.338 4.678 4.340 0.000 0.000 0.268 206 L C 1.420 178.223 176.870 -0.112 0.000 1.058 206 L CA -0.687 54.118 54.840 -0.059 0.000 0.803 206 L CB 0.734 42.778 42.059 -0.024 0.000 1.212 206 L HN -0.284 nan 8.230 nan 0.000 0.451 207 D N -0.260 120.045 120.400 -0.158 0.000 2.216 207 D HA 0.034 4.674 4.640 0.000 0.000 0.208 207 D C -0.602 175.288 176.300 -0.684 0.000 0.960 207 D CA 1.550 55.306 54.000 -0.406 0.000 0.861 207 D CB 0.506 41.094 40.800 -0.353 0.000 0.985 207 D HN 0.299 nan 8.370 nan 0.000 0.493 208 Y N -0.649 119.641 120.300 -0.016 0.000 2.552 208 Y HA 0.395 4.945 4.550 0.000 0.000 0.337 208 Y C -0.737 175.164 175.900 0.002 0.000 1.094 208 Y CA -0.952 57.136 58.100 -0.021 0.000 1.028 208 Y CB 1.959 40.376 38.460 -0.073 0.000 1.321 208 Y HN -0.285 nan 8.280 nan 0.000 0.456 209 I N 3.151 123.843 120.570 0.203 0.000 2.362 209 I HA 0.468 4.639 4.170 0.000 0.000 0.289 209 I C -1.208 174.986 176.117 0.129 0.000 0.994 209 I CA -0.618 60.775 61.300 0.155 0.000 1.158 209 I CB 0.641 38.736 38.000 0.157 0.000 1.315 209 I HN 0.584 nan 8.210 nan 0.000 0.451 210 N N 8.910 127.690 118.700 0.133 0.000 2.469 210 N HA 0.308 5.048 4.740 0.000 0.000 0.239 210 N C -0.745 174.825 175.510 0.100 0.000 1.053 210 N CA -0.234 52.888 53.050 0.121 0.000 0.937 210 N CB 1.355 39.963 38.487 0.201 0.000 1.163 210 N HN 0.574 nan 8.380 nan 0.000 0.509 211 L N 2.267 123.507 121.223 0.029 0.000 2.410 211 L HA 0.221 4.561 4.340 0.000 0.000 0.273 211 L C 1.142 177.961 176.870 -0.086 0.000 1.144 211 L CA 0.081 54.900 54.840 -0.035 0.000 0.863 211 L CB 0.299 42.279 42.059 -0.132 0.000 1.140 211 L HN 0.333 nan 8.230 nan 0.000 0.463 212 M N 3.464 122.959 119.600 -0.174 0.000 3.596 212 M HA 0.062 4.542 4.480 0.000 0.000 0.219 212 M C 0.356 176.197 176.300 -0.765 0.000 1.471 212 M CA -0.156 54.773 55.300 -0.617 0.000 1.644 212 M CB -0.547 31.792 32.600 -0.435 0.000 1.083 212 M HN 0.545 nan 8.290 nan 0.000 0.579 213 T N -0.012 114.249 114.554 -0.489 0.000 4.475 213 T HA 0.284 4.634 4.350 0.000 0.000 0.254 213 T C -0.533 174.128 174.700 -0.065 0.000 1.160 213 T CA -0.209 61.765 62.100 -0.210 0.000 1.091 213 T CB -1.159 67.680 68.868 -0.049 0.000 1.377 213 T HN 0.516 nan 8.240 nan 0.000 1.057 214 Y N -2.775 117.617 120.300 0.152 0.000 2.853 214 Y HA 0.554 5.104 4.550 0.000 0.000 0.326 214 Y C -0.171 175.863 175.900 0.224 0.000 1.384 214 Y CA -1.934 56.276 58.100 0.184 0.000 1.077 214 Y CB -0.024 38.568 38.460 0.220 0.000 1.395 214 Y HN 0.113 nan 8.280 nan 0.000 0.451 215 D N -0.027 120.707 120.400 0.556 0.000 2.983 215 D HA -0.169 4.471 4.640 0.000 0.000 0.225 215 D C 0.531 177.094 176.300 0.439 0.000 1.174 215 D CA 1.188 55.506 54.000 0.529 0.000 0.831 215 D CB -0.983 40.090 40.800 0.455 0.000 1.104 215 D HN 0.714 nan 8.370 nan 0.000 0.421 216 L N -1.396 120.007 121.223 0.299 0.000 2.599 216 L HA 0.275 4.616 4.340 0.000 0.000 0.230 216 L C 1.147 178.119 176.870 0.169 0.000 1.141 216 L CA 0.771 55.717 54.840 0.176 0.000 0.877 216 L CB -0.053 42.054 42.059 0.079 0.000 1.009 216 L HN 0.204 nan 8.230 nan 0.000 0.447 217 A N -0.800 122.164 122.820 0.239 0.000 2.606 217 A HA 0.831 5.151 4.320 0.000 0.000 0.293 217 A C -0.463 177.039 177.584 -0.136 0.000 1.082 217 A CA 0.082 52.190 52.037 0.118 0.000 0.685 217 A CB 1.638 20.733 19.000 0.158 0.000 1.284 217 A HN 0.076 nan 8.150 nan 0.000 0.408 218 G N -0.743 107.697 108.800 -0.601 0.000 2.349 218 G HA2 0.524 4.485 3.960 0.000 0.000 0.294 218 G HA3 0.524 4.485 3.960 0.000 0.000 0.294 218 G C -2.989 171.204 174.900 -1.178 0.000 1.380 218 G CA -0.249 44.046 45.100 -1.341 0.000 0.811 218 G HN 0.318 nan 8.290 nan 0.000 0.519 219 P HA -0.002 nan 4.420 nan 0.000 0.225 219 P C 1.212 178.482 177.300 -0.050 0.000 1.148 219 P CA 1.338 64.096 63.100 -0.570 0.000 0.779 219 P CB -0.037 31.438 31.700 -0.374 0.000 0.780 220 W N -1.038 120.323 121.300 0.102 0.000 3.077 220 W HA 0.217 4.878 4.660 0.000 0.000 0.245 220 W C 0.068 176.677 176.519 0.150 0.000 1.316 220 W CA -0.051 57.359 57.345 0.109 0.000 1.537 220 W CB -0.778 28.710 29.460 0.047 0.000 1.131 220 W HN -0.194 nan 8.180 nan 0.000 0.695 221 E N 0.743 120.942 120.200 -0.001 0.000 2.202 221 E HA 0.252 4.602 4.350 0.000 0.000 0.272 221 E C 1.281 178.039 176.600 0.263 0.000 0.951 221 E CA 0.148 56.634 56.400 0.144 0.000 0.813 221 E CB 1.603 31.359 29.700 0.093 0.000 1.151 221 E HN 0.077 nan 8.360 nan 0.000 0.398 222 K N 1.338 121.831 120.400 0.154 0.000 2.147 222 K HA 0.006 4.326 4.320 0.000 0.000 0.205 222 K C 0.956 177.634 176.600 0.130 0.000 1.049 222 K CA 1.104 57.442 56.287 0.084 0.000 0.936 222 K CB -0.105 32.389 32.500 -0.009 0.000 0.722 222 K HN 0.233 nan 8.250 nan 0.000 0.446 223 V N 1.961 121.933 119.914 0.096 0.000 2.604 223 V HA 0.307 4.427 4.120 0.000 0.000 0.305 223 V C 0.357 176.347 176.094 -0.173 0.000 1.043 223 V CA -0.628 61.672 62.300 -0.000 0.000 0.888 223 V CB 1.548 33.327 31.823 -0.073 0.000 0.995 223 V HN 0.568 nan 8.190 nan 0.000 0.429 224 T N 1.898 116.146 114.554 -0.510 0.000 2.932 224 T HA 0.345 4.695 4.350 0.000 0.000 0.312 224 T C -0.206 174.017 174.700 -0.794 0.000 1.071 224 T CA -0.005 61.339 62.100 -1.259 0.000 1.128 224 T CB 0.663 68.439 68.868 -1.821 0.000 0.984 224 T HN 0.773 nan 8.240 nan 0.000 0.549 225 N N -0.509 117.807 118.700 -0.641 0.000 3.046 225 N HA 0.179 4.919 4.740 0.000 0.000 0.243 225 N C -1.736 173.705 175.510 -0.114 0.000 1.452 225 N CA -0.747 52.161 53.050 -0.237 0.000 0.882 225 N CB 1.071 39.585 38.487 0.045 0.000 1.425 225 N HN 0.719 nan 8.380 nan 0.000 0.517 226 H N 1.238 120.404 119.070 0.159 0.000 2.722 226 H HA 0.093 4.649 4.556 0.001 0.000 0.328 226 H C 0.336 175.754 175.328 0.149 0.000 1.067 226 H CA 0.257 56.399 56.048 0.155 0.000 1.447 226 H CB 1.217 31.022 29.762 0.071 0.000 1.469 226 H HN 0.582 nan 8.280 nan 0.000 0.544 227 Q N 1.849 121.800 119.800 0.251 0.000 2.451 227 Q HA 0.215 4.555 4.340 0.000 0.000 0.206 227 Q C 0.336 176.466 176.000 0.215 0.000 0.947 227 Q CA 0.715 56.659 55.803 0.235 0.000 0.937 227 Q CB 0.743 29.638 28.738 0.262 0.000 1.025 227 Q HN 0.511 nan 8.270 nan 0.000 0.511 228 A N 0.434 123.364 122.820 0.184 0.000 3.165 228 A HA 0.666 4.987 4.320 0.000 0.000 0.212 228 A C -0.149 177.467 177.584 0.054 0.000 0.935 228 A CA -0.262 51.858 52.037 0.138 0.000 1.100 228 A CB 0.134 19.246 19.000 0.188 0.000 1.260 228 A HN 0.362 nan 8.150 nan 0.000 0.532 229 A N 0.095 122.940 122.820 0.041 0.000 2.511 229 A HA 0.430 4.750 4.320 0.000 0.000 0.242 229 A C 1.181 178.682 177.584 -0.138 0.000 1.069 229 A CA 0.143 52.140 52.037 -0.066 0.000 0.763 229 A CB 0.102 19.090 19.000 -0.019 0.000 1.001 229 A HN 1.354 nan 8.150 nan 0.000 0.498 230 L N 2.888 123.954 121.223 -0.262 0.000 2.023 230 L HA 0.225 4.565 4.340 0.000 0.000 0.205 230 L C 0.105 176.600 176.870 -0.625 0.000 1.073 230 L CA 1.782 56.311 54.840 -0.519 0.000 0.745 230 L CB -0.521 41.137 42.059 -0.668 0.000 0.900 230 L HN 0.595 nan 8.230 nan 0.000 0.435 231 F N -1.115 118.773 119.950 -0.103 0.000 2.575 231 F HA 0.648 5.175 4.527 0.000 0.000 0.330 231 F C 0.953 176.730 175.800 -0.038 0.000 1.056 231 F CA -0.982 56.989 58.000 -0.048 0.000 0.964 231 F CB 0.534 39.513 39.000 -0.035 0.000 1.258 231 F HN -0.099 nan 8.300 nan 0.000 0.484 232 G N -0.162 108.776 108.800 0.229 0.000 2.476 232 G HA2 0.404 4.364 3.960 0.000 0.000 0.269 232 G HA3 0.404 4.364 3.960 0.000 0.000 0.269 232 G C -1.647 173.290 174.900 0.061 0.000 1.195 232 G CA -0.183 44.984 45.100 0.112 0.000 0.843 232 G HN 0.506 nan 8.290 nan 0.000 0.545 233 D N 0.502 120.910 120.400 0.014 0.000 2.481 233 D HA 0.467 5.107 4.640 0.000 0.000 0.246 233 D C 1.108 177.359 176.300 -0.082 0.000 1.109 233 D CA -0.142 53.853 54.000 -0.009 0.000 0.845 233 D CB 1.607 42.439 40.800 0.054 0.000 1.160 233 D HN 0.309 nan 8.370 nan 0.000 0.534 234 A N 3.527 126.313 122.820 -0.057 0.000 2.032 234 A HA -0.063 4.258 4.320 0.000 0.000 0.221 234 A C 1.900 179.401 177.584 -0.138 0.000 1.165 234 A CA 1.907 53.897 52.037 -0.078 0.000 0.645 234 A CB -0.403 18.571 19.000 -0.043 0.000 0.807 234 A HN 0.619 nan 8.150 nan 0.000 0.453 235 A N -0.701 122.031 122.820 -0.147 0.000 2.206 235 A HA 0.440 4.760 4.320 0.000 0.000 0.211 235 A C 1.400 178.621 177.584 -0.604 0.000 1.158 235 A CA 0.877 52.798 52.037 -0.193 0.000 0.761 235 A CB -0.723 18.283 19.000 0.010 0.000 0.801 235 A HN 0.689 nan 8.150 nan 0.000 0.473 236 G N 0.009 108.278 108.800 -0.886 0.000 2.535 236 G HA2 0.502 4.463 3.960 0.000 0.000 0.303 236 G HA3 0.502 4.463 3.960 0.000 0.000 0.303 236 G C -2.522 172.008 174.900 -0.617 0.000 1.237 236 G CA -1.376 42.877 45.100 -1.410 0.000 0.986 236 G HN 0.176 nan 8.290 nan 0.000 0.494 237 P HA 0.261 nan 4.420 nan 0.000 0.274 237 P C -0.258 176.885 177.300 -0.262 0.000 1.231 237 P CA -0.001 62.901 63.100 -0.330 0.000 0.790 237 P CB 1.259 32.772 31.700 -0.313 0.000 0.951 238 T N -1.191 113.151 114.554 -0.352 0.000 2.924 238 T HA 0.749 5.099 4.350 0.000 0.000 0.291 238 T C -0.629 173.825 174.700 -0.410 0.000 1.045 238 T CA -0.514 61.464 62.100 -0.203 0.000 1.015 238 T CB 0.913 69.723 68.868 -0.097 0.000 1.103 238 T HN 0.165 nan 8.240 nan 0.000 0.496 239 F N -0.419 119.467 119.950 -0.106 0.000 2.631 239 F HA 0.529 5.056 4.527 0.000 0.000 0.328 239 F C -0.426 175.531 175.800 0.261 0.000 1.067 239 F CA -1.676 56.374 58.000 0.084 0.000 0.969 239 F CB 1.175 40.236 39.000 0.102 0.000 1.332 239 F HN 0.732 nan 8.300 nan 0.000 0.490 240 Y N 2.132 122.701 120.300 0.449 0.000 2.465 240 Y HA 0.155 4.706 4.550 0.001 0.000 0.331 240 Y C 0.415 176.479 175.900 0.273 0.000 1.102 240 Y CA -0.341 57.953 58.100 0.323 0.000 1.358 240 Y CB 0.255 38.905 38.460 0.317 0.000 1.213 240 Y HN 0.457 nan 8.280 nan 0.000 0.525 241 N N 5.444 124.136 118.700 -0.015 0.000 2.555 241 N HA 0.099 4.839 4.740 0.000 0.000 0.244 241 N C 0.556 175.852 175.510 -0.357 0.000 1.114 241 N CA 0.583 53.510 53.050 -0.204 0.000 0.963 241 N CB 0.723 38.973 38.487 -0.394 0.000 1.276 241 N HN 0.910 nan 8.380 nan 0.000 0.510 242 A N 4.048 126.690 122.820 -0.297 0.000 2.131 242 A HA -0.116 4.204 4.320 0.000 0.000 0.220 242 A C 2.048 179.359 177.584 -0.454 0.000 1.158 242 A CA 0.838 52.743 52.037 -0.220 0.000 0.665 242 A CB -0.279 18.534 19.000 -0.312 0.000 0.795 242 A HN 0.737 nan 8.150 nan 0.000 0.460 243 L N -0.945 119.799 121.223 -0.798 0.000 2.275 243 L HA -0.148 4.192 4.340 0.000 0.000 0.215 243 L C 2.461 178.680 176.870 -1.085 0.000 1.119 243 L CA 0.742 54.865 54.840 -1.194 0.000 0.790 243 L CB -0.488 40.361 42.059 -2.016 0.000 0.919 243 L HN 0.377 nan 8.230 nan 0.000 0.443 244 R N 0.144 120.212 120.500 -0.720 0.000 2.241 244 R HA -0.097 4.243 4.340 0.000 0.000 0.224 244 R C 1.073 177.273 176.300 -0.167 0.000 1.101 244 R CA 0.698 56.643 56.100 -0.257 0.000 0.995 244 R CB -0.146 30.055 30.300 -0.164 0.000 0.870 244 R HN 0.387 nan 8.270 nan 0.000 0.463 245 E N 0.300 120.385 120.200 -0.192 0.000 2.463 245 E HA 0.170 4.520 4.350 0.000 0.000 0.193 245 E C 0.139 176.658 176.600 -0.136 0.000 1.041 245 E CA -0.098 56.245 56.400 -0.095 0.000 0.879 245 E CB 0.632 30.323 29.700 -0.015 0.000 0.997 245 E HN 0.188 nan 8.360 nan 0.000 0.478 246 A N 1.651 124.337 122.820 -0.223 0.000 2.371 246 A HA 0.156 4.476 4.320 0.000 0.000 0.257 246 A C 0.454 177.936 177.584 -0.170 0.000 1.089 246 A CA -0.417 51.501 52.037 -0.198 0.000 0.794 246 A CB 0.044 18.909 19.000 -0.226 0.000 1.029 246 A HN 0.006 nan 8.150 nan 0.000 0.488 247 N N 1.711 120.333 118.700 -0.129 0.000 2.744 247 N HA 0.171 4.911 4.740 0.000 0.000 0.290 247 N C 0.286 175.695 175.510 -0.168 0.000 1.206 247 N CA 0.248 53.233 53.050 -0.110 0.000 1.119 247 N CB -0.560 37.889 38.487 -0.063 0.000 1.449 247 N HN 0.605 nan 8.380 nan 0.000 0.514 248 L N 0.727 121.784 121.223 -0.277 0.000 2.470 248 L HA 0.325 4.666 4.340 0.000 0.000 0.219 248 L C 1.520 178.200 176.870 -0.318 0.000 1.071 248 L CA 0.323 54.860 54.840 -0.505 0.000 0.850 248 L CB -0.005 41.344 42.059 -1.184 0.000 1.040 248 L HN 0.586 nan 8.230 nan 0.000 0.475 249 G N -0.893 107.839 108.800 -0.113 0.000 2.147 249 G HA2 -0.229 3.731 3.960 0.000 0.000 0.244 249 G HA3 -0.229 3.731 3.960 0.000 0.000 0.244 249 G C -0.363 174.712 174.900 0.291 0.000 1.005 249 G CA -0.339 44.811 45.100 0.084 0.000 0.713 249 G HN 0.097 nan 8.290 nan 0.000 0.515 250 W N 1.079 122.419 121.300 0.066 0.000 2.448 250 W HA 0.736 5.396 4.660 0.001 0.000 0.339 250 W C 1.122 177.687 176.519 0.076 0.000 1.124 250 W CA -1.060 56.318 57.345 0.056 0.000 1.262 250 W CB 0.758 30.241 29.460 0.037 0.000 1.251 250 W HN 0.534 nan 8.180 nan 0.000 0.597 251 S N 0.412 116.295 115.700 0.305 0.000 2.617 251 S HA -0.020 4.450 4.470 0.000 0.000 0.259 251 S C 0.700 175.472 174.600 0.286 0.000 1.301 251 S CA -0.266 58.091 58.200 0.262 0.000 0.984 251 S CB 0.699 64.030 63.200 0.219 0.000 0.954 251 S HN 0.599 nan 8.310 nan 0.000 0.572 252 W N 1.043 122.416 121.300 0.122 0.000 2.358 252 W HA -0.054 4.606 4.660 0.000 0.000 0.303 252 W C 2.184 178.752 176.519 0.082 0.000 1.208 252 W CA 1.657 59.064 57.345 0.103 0.000 1.274 252 W CB -0.164 29.345 29.460 0.083 0.000 1.138 252 W HN 0.774 nan 8.180 nan 0.000 0.515 253 E N 0.398 120.844 120.200 0.411 0.000 2.110 253 E HA -0.220 4.130 4.350 0.000 0.000 0.193 253 E C 1.837 178.428 176.600 -0.014 0.000 0.988 253 E CA 1.821 58.356 56.400 0.225 0.000 0.804 253 E CB -0.536 29.296 29.700 0.219 0.000 0.745 253 E HN 0.575 nan 8.360 nan 0.000 0.458 254 E N 0.666 120.867 120.200 0.001 0.000 2.047 254 E HA -0.111 4.239 4.350 0.000 0.000 0.191 254 E C 2.404 178.958 176.600 -0.077 0.000 0.987 254 E CA 0.606 56.941 56.400 -0.108 0.000 0.799 254 E CB -0.132 29.485 29.700 -0.138 0.000 0.752 254 E HN 0.162 nan 8.360 nan 0.000 0.449 255 L N 0.776 122.033 121.223 0.057 0.000 2.012 255 L HA -0.204 4.136 4.340 0.000 0.000 0.210 255 L C 2.634 179.392 176.870 -0.186 0.000 1.073 255 L CA 1.430 56.312 54.840 0.070 0.000 0.748 255 L CB -0.729 41.370 42.059 0.067 0.000 0.891 255 L HN 0.181 nan 8.230 nan 0.000 0.431 256 T N -0.600 113.709 114.554 -0.408 0.000 2.746 256 T HA -0.221 4.129 4.350 0.000 0.000 0.267 256 T C 2.375 176.883 174.700 -0.319 0.000 1.039 256 T CA 1.886 63.692 62.100 -0.490 0.000 1.142 256 T CB -0.409 67.948 68.868 -0.851 0.000 0.866 256 T HN 0.496 nan 8.240 nan 0.000 0.444 257 R N 0.968 121.300 120.500 -0.280 0.000 2.090 257 R HA 0.385 4.725 4.340 0.000 0.000 0.228 257 R C 2.567 178.674 176.300 -0.321 0.000 1.110 257 R CA 1.619 57.570 56.100 -0.249 0.000 0.973 257 R CB -1.367 28.808 30.300 -0.208 0.000 0.869 257 R HN 0.522 nan 8.270 nan 0.000 0.440 258 A N -0.373 122.170 122.820 -0.463 0.000 1.970 258 A HA 0.347 4.667 4.320 0.000 0.000 0.216 258 A C 0.283 177.418 177.584 -0.749 0.000 1.170 258 A CA 0.620 52.243 52.037 -0.691 0.000 0.645 258 A CB 0.144 18.549 19.000 -0.992 0.000 0.816 258 A HN 0.479 nan 8.150 nan 0.000 0.447 259 F N 0.778 120.673 119.950 -0.092 0.000 2.531 259 F HA 0.329 4.857 4.527 0.000 0.000 0.333 259 F C -2.585 173.063 175.800 -0.253 0.000 1.292 259 F CA -3.781 54.115 58.000 -0.174 0.000 1.184 259 F CB 0.465 39.329 39.000 -0.226 0.000 1.426 259 F HN -0.039 nan 8.300 nan 0.000 0.559 260 P HA 0.032 nan 4.420 nan 0.000 0.265 260 P C -0.082 177.186 177.300 -0.054 0.000 1.187 260 P CA 0.416 63.431 63.100 -0.142 0.000 0.766 260 P CB 1.613 33.195 31.700 -0.196 0.000 0.820 261 S N 2.362 118.041 115.700 -0.034 0.000 2.543 261 S HA 0.531 5.001 4.470 0.000 0.000 0.271 261 S C -2.722 171.891 174.600 0.021 0.000 1.148 261 S CA -1.166 57.045 58.200 0.019 0.000 0.914 261 S CB 0.793 63.907 63.200 -0.144 0.000 1.096 261 S HN 0.310 nan 8.310 nan 0.000 0.471 262 P HA 0.485 nan 4.420 nan 0.000 0.274 262 P C -0.931 176.534 177.300 0.274 0.000 1.237 262 P CA -0.264 62.942 63.100 0.178 0.000 0.793 262 P CB 0.244 32.003 31.700 0.099 0.000 0.977 263 F N -1.967 118.045 119.950 0.104 0.000 2.675 263 F HA 0.611 5.138 4.527 0.000 0.000 0.324 263 F C -0.746 175.175 175.800 0.202 0.000 1.106 263 F CA -1.500 56.578 58.000 0.131 0.000 0.970 263 F CB 0.544 39.649 39.000 0.175 0.000 1.385 263 F HN 0.113 nan 8.300 nan 0.000 0.489 264 S N 2.084 117.778 115.700 -0.009 0.000 2.439 264 S HA 0.381 4.851 4.470 0.000 0.000 0.282 264 S C -0.511 173.932 174.600 -0.263 0.000 1.170 264 S CA -0.414 57.730 58.200 -0.095 0.000 1.054 264 S CB 0.570 63.809 63.200 0.064 0.000 0.956 264 S HN 0.645 nan 8.310 nan 0.000 0.490 265 L N 6.085 127.060 121.223 -0.412 0.000 2.454 265 L HA 0.279 4.619 4.340 0.000 0.000 0.284 265 L C 0.581 177.398 176.870 -0.089 0.000 1.139 265 L CA 0.641 55.252 54.840 -0.382 0.000 0.911 265 L CB -0.745 40.961 42.059 -0.588 0.000 1.262 265 L HN 0.802 nan 8.230 nan 0.000 0.453 266 T N 0.005 114.569 114.554 0.016 0.000 2.831 266 T HA 0.419 4.770 4.350 0.000 0.000 0.287 266 T C 1.006 175.701 174.700 -0.008 0.000 1.070 266 T CA -0.464 61.644 62.100 0.014 0.000 1.010 266 T CB 0.980 69.873 68.868 0.041 0.000 1.264 266 T HN -0.033 nan 8.240 nan 0.000 0.532 267 V N 0.776 120.645 119.914 -0.076 0.000 2.358 267 V HA -0.069 4.051 4.120 0.000 0.000 0.246 267 V C 2.530 178.548 176.094 -0.126 0.000 1.047 267 V CA 2.461 64.697 62.300 -0.106 0.000 1.035 267 V CB -1.009 30.715 31.823 -0.165 0.000 0.658 267 V HN 1.102 nan 8.190 nan 0.000 0.452 268 D N 0.469 120.740 120.400 -0.215 0.000 2.123 268 D HA -0.177 4.463 4.640 0.000 0.000 0.196 268 D C 2.076 178.444 176.300 0.113 0.000 0.992 268 D CA 1.576 55.530 54.000 -0.076 0.000 0.833 268 D CB -0.127 40.673 40.800 0.001 0.000 0.954 268 D HN 0.370 nan 8.370 nan 0.000 0.455 269 A N 0.615 123.485 122.820 0.083 0.000 1.865 269 A HA -0.002 4.318 4.320 0.000 0.000 0.217 269 A C 2.463 179.927 177.584 -0.200 0.000 1.191 269 A CA 2.400 54.379 52.037 -0.096 0.000 0.623 269 A CB -1.329 17.751 19.000 0.134 0.000 0.826 269 A HN 0.368 nan 8.150 nan 0.000 0.444 270 A N -0.741 122.056 122.820 -0.039 0.000 1.902 270 A HA -0.005 4.315 4.320 0.000 0.000 0.217 270 A C 2.256 179.919 177.584 0.132 0.000 1.181 270 A CA 1.863 53.920 52.037 0.034 0.000 0.623 270 A CB -0.930 18.087 19.000 0.029 0.000 0.818 270 A HN 0.396 nan 8.150 nan 0.000 0.443 271 V N -0.055 119.917 119.914 0.097 0.000 2.307 271 V HA -0.243 3.878 4.120 0.000 0.000 0.245 271 V C 2.731 178.947 176.094 0.205 0.000 1.045 271 V CA 2.025 64.419 62.300 0.156 0.000 1.024 271 V CB -0.711 31.283 31.823 0.284 0.000 0.651 271 V HN 0.541 nan 8.190 nan 0.000 0.449 272 Q N -0.288 119.619 119.800 0.178 0.000 2.170 272 Q HA -0.221 4.120 4.340 0.000 0.000 0.203 272 Q C 2.223 178.309 176.000 0.142 0.000 0.976 272 Q CA 1.524 57.437 55.803 0.185 0.000 0.858 272 Q CB -0.403 28.493 28.738 0.263 0.000 0.907 272 Q HN 0.703 nan 8.270 nan 0.000 0.433 273 Q N -0.681 119.118 119.800 -0.000 0.000 2.170 273 Q HA -0.170 4.171 4.340 0.000 0.000 0.203 273 Q C 1.754 177.925 176.000 0.285 0.000 0.976 273 Q CA 1.237 57.077 55.803 0.062 0.000 0.858 273 Q CB -0.090 28.532 28.738 -0.192 0.000 0.907 273 Q HN 0.536 nan 8.270 nan 0.000 0.433 274 H N -0.215 118.963 119.070 0.179 0.000 2.363 274 H HA -0.009 4.548 4.556 0.000 0.000 0.301 274 H C 1.803 177.220 175.328 0.148 0.000 1.074 274 H CA 1.023 57.185 56.048 0.190 0.000 1.354 274 H CB 0.022 29.872 29.762 0.146 0.000 1.397 274 H HN 0.108 nan 8.280 nan 0.000 0.516 275 L N -0.304 121.075 121.223 0.261 0.000 2.131 275 L HA -0.180 4.160 4.340 0.000 0.000 0.210 275 L C 2.172 179.133 176.870 0.153 0.000 1.092 275 L CA 0.917 55.863 54.840 0.177 0.000 0.759 275 L CB -0.339 41.812 42.059 0.152 0.000 0.903 275 L HN 0.362 nan 8.230 nan 0.000 0.435 276 M N -1.266 118.448 119.600 0.190 0.000 2.149 276 M HA -0.171 4.309 4.480 0.000 0.000 0.261 276 M C 0.685 177.075 176.300 0.150 0.000 1.064 276 M CA 1.178 56.585 55.300 0.178 0.000 1.102 276 M CB -0.215 32.544 32.600 0.265 0.000 1.369 276 M HN 0.155 nan 8.290 nan 0.000 0.408 277 M N 1.346 121.029 119.600 0.139 0.000 2.200 277 M HA 0.094 4.574 4.480 0.000 0.000 0.355 277 M C 0.189 176.521 176.300 0.055 0.000 1.283 277 M CA 0.135 55.476 55.300 0.069 0.000 1.124 277 M CB 0.153 32.699 32.600 -0.090 0.000 1.625 277 M HN 0.125 nan 8.290 nan 0.000 0.463 278 E N 1.149 121.381 120.200 0.054 0.000 2.413 278 E HA 0.245 4.595 4.350 0.000 0.000 0.263 278 E C 0.968 177.588 176.600 0.033 0.000 1.015 278 E CA 0.907 57.332 56.400 0.042 0.000 0.916 278 E CB 0.419 30.145 29.700 0.043 0.000 0.947 278 E HN 0.916 nan 8.360 nan 0.000 0.440 279 G N 2.623 111.442 108.800 0.031 0.000 2.143 279 G HA2 -0.235 3.725 3.960 0.000 0.000 0.249 279 G HA3 -0.235 3.725 3.960 0.000 0.000 0.249 279 G C -0.109 174.811 174.900 0.032 0.000 0.981 279 G CA 0.141 45.257 45.100 0.026 0.000 0.665 279 G HN 0.473 nan 8.290 nan 0.000 0.528 280 V N 3.067 123.009 119.914 0.047 0.000 2.257 280 V HA 0.402 4.522 4.120 0.000 0.000 0.269 280 V C -1.344 174.793 176.094 0.071 0.000 1.040 280 V CA -1.361 60.981 62.300 0.070 0.000 0.813 280 V CB 1.343 33.226 31.823 0.100 0.000 1.065 280 V HN 0.307 nan 8.190 nan 0.000 0.457 281 P HA 0.118 nan 4.420 nan 0.000 0.271 281 P C 1.095 178.430 177.300 0.058 0.000 1.220 281 P CA 0.079 63.205 63.100 0.044 0.000 0.768 281 P CB 1.512 33.226 31.700 0.023 0.000 0.848 282 S N 3.107 118.839 115.700 0.054 0.000 2.383 282 S HA -0.208 4.262 4.470 0.000 0.000 0.229 282 S C 1.901 176.537 174.600 0.060 0.000 1.030 282 S CA 1.071 59.306 58.200 0.057 0.000 1.002 282 S CB -1.221 62.002 63.200 0.039 0.000 0.829 282 S HN 0.524 nan 8.310 nan 0.000 0.467 283 A N 1.561 124.411 122.820 0.050 0.000 2.125 283 A HA 0.037 4.357 4.320 0.000 0.000 0.219 283 A C 2.158 179.805 177.584 0.105 0.000 1.156 283 A CA 1.185 53.260 52.037 0.063 0.000 0.671 283 A CB -0.402 18.620 19.000 0.036 0.000 0.794 283 A HN 0.624 nan 8.150 nan 0.000 0.459 284 K N -0.748 119.703 120.400 0.086 0.000 2.379 284 K HA 0.260 4.581 4.320 0.000 0.000 0.194 284 K C -0.254 176.462 176.600 0.194 0.000 1.031 284 K CA 0.008 56.362 56.287 0.112 0.000 1.037 284 K CB 0.229 32.748 32.500 0.031 0.000 0.824 284 K HN 0.451 nan 8.250 nan 0.000 0.516 285 I N 2.315 122.966 120.570 0.136 0.000 2.396 285 I HA 0.042 4.212 4.170 0.000 0.000 0.289 285 I C -0.343 175.825 176.117 0.085 0.000 1.056 285 I CA -0.416 60.941 61.300 0.094 0.000 1.365 285 I CB 1.141 39.177 38.000 0.060 0.000 1.407 285 I HN -0.278 nan 8.210 nan 0.000 0.509 286 V N 7.711 127.660 119.914 0.057 0.000 2.409 286 V HA 0.277 4.397 4.120 0.000 0.000 0.291 286 V C 0.173 176.290 176.094 0.039 0.000 1.020 286 V CA -0.650 61.656 62.300 0.010 0.000 0.848 286 V CB 1.693 33.464 31.823 -0.087 0.000 0.990 286 V HN 0.712 nan 8.190 nan 0.000 0.430 287 M N 4.547 124.192 119.600 0.075 0.000 2.184 287 M HA 0.470 4.950 4.480 0.000 0.000 0.351 287 M C 0.584 176.966 176.300 0.137 0.000 1.395 287 M CA 0.013 55.374 55.300 0.102 0.000 1.117 287 M CB 0.392 33.082 32.600 0.149 0.000 1.708 287 M HN 0.785 nan 8.290 nan 0.000 0.468 288 G N 4.190 113.081 108.800 0.152 0.000 2.420 288 G HA2 0.550 4.510 3.960 0.000 0.000 0.284 288 G HA3 0.550 4.510 3.960 0.000 0.000 0.284 288 G C -0.873 174.272 174.900 0.410 0.000 1.177 288 G CA -0.571 44.719 45.100 0.316 0.000 0.841 288 G HN 0.835 nan 8.290 nan 0.000 0.527 289 V N -0.720 119.488 119.914 0.490 0.000 2.876 289 V HA 0.852 4.972 4.120 0.000 0.000 0.312 289 V C -2.698 173.660 176.094 0.440 0.000 1.085 289 V CA -2.689 59.879 62.300 0.447 0.000 0.945 289 V CB 2.581 34.505 31.823 0.169 0.000 1.017 289 V HN 0.658 nan 8.190 nan 0.000 0.428 290 P HA 0.447 nan 4.420 nan 0.000 0.292 290 P C -0.865 176.639 177.300 0.339 0.000 1.283 290 P CA -0.258 62.829 63.100 -0.021 0.000 0.835 290 P CB 1.426 32.785 31.700 -0.569 0.000 1.017 291 F N 2.472 122.459 119.950 0.062 0.000 2.730 291 F HA 0.255 4.782 4.527 0.000 0.000 0.295 291 F C 0.319 176.207 175.800 0.146 0.000 1.143 291 F CA -0.576 57.472 58.000 0.080 0.000 1.367 291 F CB -0.641 38.366 39.000 0.012 0.000 0.970 291 F HN 0.252 nan 8.300 nan 0.000 0.514 292 Y N -2.728 117.731 120.300 0.265 0.000 2.625 292 Y HA 0.857 5.407 4.550 0.001 0.000 0.338 292 Y C -0.241 175.778 175.900 0.198 0.000 1.123 292 Y CA -2.092 56.117 58.100 0.180 0.000 1.046 292 Y CB 0.970 39.518 38.460 0.146 0.000 1.299 292 Y HN -0.105 nan 8.280 nan 0.000 0.464 293 G N 0.860 109.783 108.800 0.206 0.000 2.630 293 G HA2 0.742 4.703 3.960 0.000 0.000 0.296 293 G HA3 0.742 4.703 3.960 0.000 0.000 0.296 293 G C -1.691 173.350 174.900 0.235 0.000 1.285 293 G CA -1.586 43.614 45.100 0.167 0.000 0.958 293 G HN 0.670 nan 8.290 nan 0.000 0.479 294 R N -0.538 120.082 120.500 0.200 0.000 2.599 294 R HA 0.677 5.017 4.340 0.000 0.000 0.295 294 R C -0.529 175.845 176.300 0.125 0.000 0.963 294 R CA -0.564 55.619 56.100 0.138 0.000 0.883 294 R CB 2.270 32.642 30.300 0.119 0.000 1.171 294 R HN 0.657 nan 8.270 nan 0.000 0.450 295 A N 2.883 125.723 122.820 0.033 0.000 2.340 295 A HA 0.818 5.138 4.320 0.000 0.000 0.331 295 A C -1.223 176.450 177.584 0.149 0.000 1.140 295 A CA -0.481 51.685 52.037 0.215 0.000 0.801 295 A CB 0.736 19.869 19.000 0.221 0.000 1.234 295 A HN 0.528 nan 8.150 nan 0.000 0.469 296 F N 0.399 120.522 119.950 0.288 0.000 2.577 296 F HA 0.617 5.144 4.527 0.000 0.000 0.318 296 F C 0.458 176.227 175.800 -0.052 0.000 1.065 296 F CA -0.614 57.429 58.000 0.072 0.000 0.929 296 F CB 2.352 41.303 39.000 -0.082 0.000 1.237 296 F HN 0.701 nan 8.300 nan 0.000 0.468 297 K N -0.634 119.658 120.400 -0.180 0.000 2.395 297 K HA 0.785 5.106 4.320 0.000 0.000 0.245 297 K C 0.326 176.861 176.600 -0.108 0.000 1.017 297 K CA -0.767 55.293 56.287 -0.378 0.000 0.852 297 K CB 1.926 33.709 32.500 -1.196 0.000 1.311 297 K HN 0.925 nan 8.250 nan 0.000 0.452 298 G N 0.078 108.827 108.800 -0.084 0.000 2.221 298 G HA2 -0.239 3.721 3.960 0.000 0.000 0.265 298 G HA3 -0.239 3.721 3.960 0.000 0.000 0.265 298 G C 0.035 174.966 174.900 0.053 0.000 1.041 298 G CA 0.271 45.360 45.100 -0.018 0.000 0.807 298 G HN 0.929 nan 8.290 nan 0.000 0.502 299 V N -1.352 118.622 119.914 0.101 0.000 2.785 299 V HA 0.887 5.008 4.120 0.000 0.000 0.300 299 V C 0.843 177.001 176.094 0.106 0.000 1.062 299 V CA 0.056 62.414 62.300 0.097 0.000 1.029 299 V CB 1.540 33.433 31.823 0.117 0.000 1.024 299 V HN 1.385 nan 8.190 nan 0.000 0.477 300 S N 3.155 118.882 115.700 0.046 0.000 2.681 300 S HA 0.740 5.211 4.470 0.000 0.000 0.270 300 S C 0.498 175.134 174.600 0.060 0.000 1.209 300 S CA -0.097 58.132 58.200 0.049 0.000 0.988 300 S CB 0.933 64.133 63.200 0.001 0.000 1.006 300 S HN 1.693 nan 8.310 nan 0.000 0.558 301 G N -1.259 107.578 108.800 0.061 0.000 2.580 301 G HA2 0.579 4.539 3.960 0.000 0.000 0.278 301 G HA3 0.579 4.539 3.960 0.000 0.000 0.278 301 G C 0.456 175.318 174.900 -0.063 0.000 1.212 301 G CA -0.421 44.702 45.100 0.038 0.000 0.939 301 G HN 1.914 nan 8.290 nan 0.000 0.513 302 G N -0.806 107.932 108.800 -0.103 0.000 3.039 302 G HA2 -0.055 3.905 3.960 0.000 0.000 0.686 302 G HA3 -0.055 3.905 3.960 0.000 0.000 0.686 302 G C 0.266 175.068 174.900 -0.164 0.000 1.066 302 G CA 0.312 45.353 45.100 -0.098 0.000 0.774 302 G HN 1.714 nan 8.290 nan 0.000 0.591 303 N N -0.272 118.353 118.700 -0.126 0.000 2.708 303 N HA -0.156 4.584 4.740 0.000 0.000 0.249 303 N C 1.544 176.927 175.510 -0.212 0.000 1.097 303 N CA 1.729 54.694 53.050 -0.142 0.000 0.710 303 N CB -0.642 37.743 38.487 -0.169 0.000 1.032 303 N HN 2.637 nan 8.380 nan 0.000 0.551 304 G N -0.707 107.924 108.800 -0.282 0.000 2.422 304 G HA2 -0.101 3.859 3.960 0.000 0.000 0.301 304 G HA3 -0.101 3.859 3.960 0.000 0.000 0.301 304 G C 1.139 175.701 174.900 -0.563 0.000 0.981 304 G CA 1.210 45.986 45.100 -0.539 0.000 0.994 304 G HN 1.517 nan 8.290 nan 0.000 0.514 305 G N -1.990 106.475 108.800 -0.558 0.000 2.199 305 G HA2 -0.284 3.677 3.960 0.000 0.000 0.254 305 G HA3 -0.284 3.677 3.960 0.000 0.000 0.254 305 G C 0.415 174.932 174.900 -0.638 0.000 0.982 305 G CA 0.864 45.808 45.100 -0.259 0.000 0.632 305 G HN 1.038 nan 8.290 nan 0.000 0.529 306 Q N -0.630 118.727 119.800 -0.737 0.000 2.352 306 Q HA 0.433 4.774 4.340 0.000 0.000 0.260 306 Q C 0.506 175.933 176.000 -0.954 0.000 0.976 306 Q CA -0.484 54.576 55.803 -1.238 0.000 0.881 306 Q CB 0.201 28.113 28.738 -1.375 0.000 1.235 306 Q HN 0.608 nan 8.270 nan 0.000 0.419 307 Y N -1.116 118.793 120.300 -0.651 0.000 3.491 307 Y HA -0.272 4.278 4.550 0.000 0.000 0.215 307 Y C 0.091 175.786 175.900 -0.341 0.000 1.219 307 Y CA 0.728 58.575 58.100 -0.423 0.000 1.485 307 Y CB -2.325 35.968 38.460 -0.278 0.000 1.450 307 Y HN 0.396 nan 8.280 nan 0.000 0.603 308 S N -0.106 115.405 115.700 -0.315 0.000 2.638 308 S HA 0.769 5.239 4.470 0.000 0.000 0.298 308 S C 0.481 175.010 174.600 -0.118 0.000 1.111 308 S CA -0.126 57.954 58.200 -0.200 0.000 1.027 308 S CB 1.178 64.247 63.200 -0.219 0.000 1.064 308 S HN 0.550 nan 8.310 nan 0.000 0.525 309 S N 1.686 117.350 115.700 -0.060 0.000 2.608 309 S HA 0.539 5.009 4.470 0.000 0.000 0.261 309 S C -0.280 174.342 174.600 0.037 0.000 1.314 309 S CA -0.090 58.090 58.200 -0.034 0.000 0.992 309 S CB 0.059 63.218 63.200 -0.067 0.000 0.935 309 S HN 1.097 nan 8.310 nan 0.000 0.564 310 H N -2.579 116.469 119.070 -0.035 0.000 2.948 310 H HA 0.662 5.219 4.556 0.000 0.000 0.315 310 H C -0.732 174.591 175.328 -0.008 0.000 1.360 310 H CA -0.481 55.562 56.048 -0.007 0.000 1.125 310 H CB 0.867 30.673 29.762 0.072 0.000 1.844 310 H HN 0.578 nan 8.280 nan 0.000 0.529 311 S N -0.355 115.360 115.700 0.026 0.000 2.751 311 S HA 0.247 4.718 4.470 0.000 0.000 0.247 311 S C -0.603 174.013 174.600 0.026 0.000 1.103 311 S CA -0.495 57.675 58.200 -0.051 0.000 1.090 311 S CB -0.613 62.544 63.200 -0.071 0.000 0.928 311 S HN 0.650 nan 8.310 nan 0.000 0.502 312 T N 4.798 119.525 114.554 0.288 0.000 2.794 312 T HA 0.371 4.721 4.350 0.000 0.000 0.296 312 T C -2.563 172.275 174.700 0.230 0.000 0.949 312 T CA -0.850 61.382 62.100 0.220 0.000 1.101 312 T CB 0.520 69.527 68.868 0.233 0.000 0.905 312 T HN 0.208 nan 8.240 nan 0.000 0.516 313 P HA 0.169 nan 4.420 nan 0.000 0.265 313 P C 0.855 178.298 177.300 0.240 0.000 1.193 313 P CA 0.026 63.252 63.100 0.211 0.000 0.765 313 P CB 0.436 32.275 31.700 0.231 0.000 0.823 314 G N 1.670 110.581 108.800 0.186 0.000 3.020 314 G HA2 0.013 3.973 3.960 0.000 0.000 0.217 314 G HA3 0.013 3.973 3.960 0.000 0.000 0.217 314 G C 0.077 175.095 174.900 0.197 0.000 1.144 314 G CA -0.011 45.218 45.100 0.216 0.000 0.760 314 G HN 0.406 nan 8.290 nan 0.000 0.548 315 E N 1.415 121.704 120.200 0.148 0.000 2.404 315 E HA 0.377 4.728 4.350 0.000 0.000 0.261 315 E C -0.647 176.039 176.600 0.144 0.000 1.074 315 E CA 0.296 56.765 56.400 0.115 0.000 0.917 315 E CB 0.896 30.633 29.700 0.063 0.000 0.965 315 E HN 0.118 nan 8.360 nan 0.000 0.433 316 D N 2.510 122.979 120.400 0.116 0.000 2.863 316 D HA 0.250 4.891 4.640 0.000 0.000 0.245 316 D C -1.997 174.365 176.300 0.103 0.000 1.211 316 D CA -1.121 52.951 54.000 0.120 0.000 0.888 316 D CB 1.458 42.314 40.800 0.093 0.000 1.483 316 D HN 0.338 nan 8.370 nan 0.000 0.533 317 P HA 0.077 nan 4.420 nan 0.000 0.273 317 P C -0.313 177.090 177.300 0.171 0.000 1.250 317 P CA -0.404 62.779 63.100 0.138 0.000 0.793 317 P CB 0.643 32.418 31.700 0.125 0.000 1.011 318 Y N 2.940 123.283 120.300 0.072 0.000 2.804 318 Y HA -0.028 4.522 4.550 0.001 0.000 0.338 318 Y C -0.887 175.047 175.900 0.057 0.000 1.252 318 Y CA -1.300 56.845 58.100 0.075 0.000 1.576 318 Y CB -0.034 38.472 38.460 0.077 0.000 1.223 318 Y HN 0.300 nan 8.280 nan 0.000 0.536 319 P HA -0.065 nan 4.420 nan 0.000 0.229 319 P C 0.256 177.347 177.300 -0.347 0.000 1.160 319 P CA 0.634 63.590 63.100 -0.240 0.000 0.777 319 P CB 0.458 32.056 31.700 -0.169 0.000 0.814 320 S N -1.172 114.083 115.700 -0.742 0.000 2.745 320 S HA 0.383 4.853 4.470 0.000 0.000 0.292 320 S C 0.816 175.216 174.600 -0.333 0.000 1.133 320 S CA -0.140 57.736 58.200 -0.540 0.000 0.998 320 S CB 1.188 64.046 63.200 -0.571 0.000 1.087 320 S HN -0.004 nan 8.310 nan 0.000 0.551 321 T N 0.403 114.820 114.554 -0.229 0.000 3.084 321 T HA 0.221 4.572 4.350 0.000 0.000 0.270 321 T C -0.322 174.079 174.700 -0.499 0.000 1.008 321 T CA -0.247 61.676 62.100 -0.296 0.000 0.900 321 T CB -0.402 68.397 68.868 -0.115 0.000 1.084 321 T HN 0.570 nan 8.240 nan 0.000 0.538 322 D N 1.600 121.851 120.400 -0.247 0.000 2.374 322 D HA 0.096 4.736 4.640 0.000 0.000 0.240 322 D C -1.031 175.175 176.300 -0.157 0.000 1.229 322 D CA -0.346 53.607 54.000 -0.078 0.000 0.895 322 D CB -0.091 40.809 40.800 0.166 0.000 1.046 322 D HN 0.288 nan 8.370 nan 0.000 0.498 323 Y N 4.770 125.099 120.300 0.048 0.000 2.691 323 Y HA 0.157 4.707 4.550 0.000 0.000 0.338 323 Y C 0.796 176.589 175.900 -0.178 0.000 1.148 323 Y CA -0.934 57.042 58.100 -0.207 0.000 1.430 323 Y CB 0.035 38.394 38.460 -0.170 0.000 1.303 323 Y HN 0.529 nan 8.280 nan 0.000 0.499 324 W N 1.414 122.763 121.300 0.080 0.000 3.256 324 W HA 0.222 4.883 4.660 0.000 0.000 0.269 324 W C -0.644 175.866 176.519 -0.014 0.000 1.310 324 W CA -0.426 56.935 57.345 0.027 0.000 1.673 324 W CB 0.029 29.508 29.460 0.032 0.000 1.115 324 W HN 0.317 nan 8.180 nan 0.000 0.686 325 L N 3.232 124.308 121.223 -0.245 0.000 2.334 325 L HA 0.251 4.591 4.340 0.000 0.000 0.286 325 L C 0.292 177.112 176.870 -0.082 0.000 1.108 325 L CA -0.728 54.046 54.840 -0.110 0.000 0.875 325 L CB 0.301 42.147 42.059 -0.356 0.000 1.246 325 L HN -0.215 nan 8.230 nan 0.000 0.439 326 V N 5.962 125.862 119.914 -0.024 0.000 2.625 326 V HA 0.184 4.304 4.120 0.000 0.000 0.305 326 V C 1.586 177.514 176.094 -0.276 0.000 1.055 326 V CA 1.174 63.396 62.300 -0.130 0.000 1.209 326 V CB -0.090 31.604 31.823 -0.216 0.000 0.877 326 V HN 1.074 nan 8.190 nan 0.000 0.489 327 G N 3.087 111.576 108.800 -0.518 0.000 2.184 327 G HA2 -0.291 3.669 3.960 0.000 0.000 0.264 327 G HA3 -0.291 3.669 3.960 0.000 0.000 0.264 327 G C 0.449 175.066 174.900 -0.471 0.000 0.975 327 G CA 0.055 44.602 45.100 -0.922 0.000 0.642 327 G HN 1.024 nan 8.290 nan 0.000 0.536 328 C N 1.792 120.901 119.300 -0.320 0.000 2.138 328 C HA 0.597 5.057 4.460 0.000 0.000 0.398 328 C C 1.722 176.567 174.990 -0.243 0.000 1.029 328 C CA -0.057 58.801 59.018 -0.268 0.000 1.426 328 C CB -1.151 26.426 27.740 -0.272 0.000 1.652 328 C HN 0.535 nan 8.230 nan 0.000 0.486 329 E N 0.973 121.054 120.200 -0.200 0.000 2.274 329 E HA -0.185 4.166 4.350 0.000 0.000 0.194 329 E C 1.884 178.369 176.600 -0.192 0.000 0.996 329 E CA 0.740 57.032 56.400 -0.179 0.000 0.840 329 E CB 0.194 29.823 29.700 -0.117 0.000 0.772 329 E HN 0.842 nan 8.360 nan 0.000 0.491 330 E N 0.623 120.721 120.200 -0.171 0.000 2.051 330 E HA -0.198 4.153 4.350 0.000 0.000 0.192 330 E C 1.977 178.457 176.600 -0.201 0.000 0.991 330 E CA 1.286 57.597 56.400 -0.147 0.000 0.799 330 E CB -0.018 29.613 29.700 -0.115 0.000 0.748 330 E HN 0.251 nan 8.360 nan 0.000 0.449 331 C N 0.251 119.399 119.300 -0.254 0.000 2.403 331 C HA -0.114 4.347 4.460 0.000 0.000 0.277 331 C C 2.657 177.343 174.990 -0.507 0.000 1.248 331 C CA 0.531 59.355 59.018 -0.323 0.000 1.762 331 C CB -0.846 26.681 27.740 -0.356 0.000 2.014 331 C HN 0.344 nan 8.230 nan 0.000 0.486 332 V N 0.846 120.402 119.914 -0.596 0.000 2.379 332 V HA -0.173 3.948 4.120 0.000 0.000 0.245 332 V C 2.692 178.485 176.094 -0.500 0.000 1.044 332 V CA 2.022 63.790 62.300 -0.888 0.000 1.036 332 V CB -0.736 30.737 31.823 -0.583 0.000 0.664 332 V HN 0.528 nan 8.190 nan 0.000 0.453 333 R N 0.355 120.682 120.500 -0.289 0.000 2.081 333 R HA -0.173 4.168 4.340 0.000 0.000 0.235 333 R C 1.480 177.706 176.300 -0.124 0.000 1.131 333 R CA 2.001 58.004 56.100 -0.161 0.000 0.960 333 R CB -0.228 30.008 30.300 -0.108 0.000 0.856 333 R HN 0.452 nan 8.270 nan 0.000 0.436 334 D N 0.501 120.818 120.400 -0.138 0.000 2.339 334 D HA 0.010 4.650 4.640 0.000 0.000 0.217 334 D C 0.015 176.285 176.300 -0.050 0.000 1.050 334 D CA 0.246 54.203 54.000 -0.073 0.000 0.856 334 D CB 0.454 41.223 40.800 -0.052 0.000 0.922 334 D HN 0.136 nan 8.370 nan 0.000 0.518 335 K N 0.675 121.020 120.400 -0.090 0.000 3.281 335 K HA -0.180 4.141 4.320 0.000 0.000 0.295 335 K C -0.423 176.285 176.600 0.181 0.000 1.233 335 K CA 0.694 57.047 56.287 0.110 0.000 0.866 335 K CB -1.694 30.901 32.500 0.158 0.000 1.265 335 K HN 0.247 nan 8.250 nan 0.000 0.482 336 D N -0.348 120.035 120.400 -0.027 0.000 2.613 336 D HA 0.184 4.825 4.640 0.000 0.000 0.230 336 D C -2.158 173.914 176.300 -0.381 0.000 1.365 336 D CA -1.438 52.445 54.000 -0.195 0.000 0.976 336 D CB 1.674 42.417 40.800 -0.094 0.000 1.415 336 D HN -0.169 nan 8.370 nan 0.000 0.589 337 P HA 0.135 nan 4.420 nan 0.000 0.249 337 P C 0.647 177.472 177.300 -0.792 0.000 1.229 337 P CA 0.039 62.616 63.100 -0.872 0.000 0.788 337 P CB 0.525 31.341 31.700 -1.474 0.000 1.072 338 R N -0.485 119.743 120.500 -0.454 0.000 2.317 338 R HA 0.370 4.710 4.340 0.000 0.000 0.208 338 R C 0.891 177.131 176.300 -0.100 0.000 0.914 338 R CA 0.079 56.074 56.100 -0.174 0.000 1.060 338 R CB 0.330 30.602 30.300 -0.047 0.000 1.015 338 R HN 0.251 nan 8.270 nan 0.000 0.498 339 I N -0.399 120.103 120.570 -0.113 0.000 2.722 339 I HA 0.597 4.767 4.170 0.000 0.000 0.295 339 I C -1.906 174.185 176.117 -0.043 0.000 1.161 339 I CA -0.916 60.377 61.300 -0.011 0.000 1.032 339 I CB 2.057 40.067 38.000 0.018 0.000 1.244 339 I HN -0.043 nan 8.210 nan 0.000 0.421 340 A N 4.223 127.057 122.820 0.023 0.000 2.574 340 A HA 0.665 4.986 4.320 0.000 0.000 0.297 340 A C -0.671 176.945 177.584 0.053 0.000 1.062 340 A CA -0.259 51.761 52.037 -0.028 0.000 0.686 340 A CB 1.568 20.488 19.000 -0.133 0.000 1.285 340 A HN 0.829 nan 8.150 nan 0.000 0.403 341 S N 0.729 116.445 115.700 0.028 0.000 2.593 341 S HA 0.263 4.733 4.470 0.000 0.000 0.269 341 S C 0.884 175.493 174.600 0.014 0.000 1.334 341 S CA 0.384 58.629 58.200 0.075 0.000 1.015 341 S CB 0.173 63.390 63.200 0.028 0.000 0.912 341 S HN 1.313 nan 8.310 nan 0.000 0.541 342 Y N 2.291 122.573 120.300 -0.031 0.000 2.165 342 Y HA -0.174 4.376 4.550 0.000 0.000 0.286 342 Y C 2.714 178.545 175.900 -0.115 0.000 1.155 342 Y CA 2.137 60.177 58.100 -0.101 0.000 1.164 342 Y CB -0.366 38.001 38.460 -0.155 0.000 0.978 342 Y HN 0.849 nan 8.280 nan 0.000 0.513 343 R N 0.008 120.482 120.500 -0.044 0.000 2.113 343 R HA -0.315 4.026 4.340 0.000 0.000 0.244 343 R C 2.390 178.572 176.300 -0.195 0.000 1.142 343 R CA 2.283 58.337 56.100 -0.078 0.000 0.953 343 R CB -0.423 29.908 30.300 0.052 0.000 0.860 343 R HN 0.456 nan 8.270 nan 0.000 0.438 344 Q N 0.455 120.152 119.800 -0.172 0.000 2.046 344 Q HA -0.066 4.274 4.340 0.000 0.000 0.200 344 Q C 2.101 177.921 176.000 -0.299 0.000 0.975 344 Q CA 1.640 57.327 55.803 -0.194 0.000 0.836 344 Q CB -0.220 28.422 28.738 -0.161 0.000 0.896 344 Q HN 0.481 nan 8.270 nan 0.000 0.428 345 L N 0.414 121.398 121.223 -0.398 0.000 2.079 345 L HA -0.195 4.145 4.340 0.000 0.000 0.210 345 L C 2.554 179.082 176.870 -0.570 0.000 1.081 345 L CA 1.880 56.395 54.840 -0.543 0.000 0.752 345 L CB -0.579 41.076 42.059 -0.673 0.000 0.896 345 L HN 0.453 nan 8.230 nan 0.000 0.433 346 E N 0.054 119.854 120.200 -0.668 0.000 2.077 346 E HA -0.258 4.093 4.350 0.000 0.000 0.193 346 E C 2.175 178.611 176.600 -0.273 0.000 0.989 346 E CA 1.168 57.243 56.400 -0.541 0.000 0.800 346 E CB 0.063 29.353 29.700 -0.682 0.000 0.746 346 E HN 0.531 nan 8.360 nan 0.000 0.452 347 Q N -0.208 119.461 119.800 -0.219 0.000 2.084 347 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 347 Q C 2.245 178.245 176.000 -0.001 0.000 0.978 347 Q CA 1.687 57.440 55.803 -0.084 0.000 0.844 347 Q CB -0.078 28.623 28.738 -0.060 0.000 0.898 347 Q HN 0.372 nan 8.270 nan 0.000 0.426 348 M N 0.154 119.707 119.600 -0.079 0.000 2.117 348 M HA -0.180 4.301 4.480 0.000 0.000 0.262 348 M C 2.090 178.468 176.300 0.129 0.000 1.065 348 M CA 1.288 56.604 55.300 0.026 0.000 1.114 348 M CB -0.141 32.275 32.600 -0.306 0.000 1.361 348 M HN 0.235 nan 8.290 nan 0.000 0.408 349 L N -0.152 121.026 121.223 -0.076 0.000 2.141 349 L HA -0.196 4.144 4.340 0.000 0.000 0.209 349 L C 1.920 178.808 176.870 0.029 0.000 1.094 349 L CA 1.101 55.925 54.840 -0.026 0.000 0.763 349 L CB -0.154 41.834 42.059 -0.119 0.000 0.908 349 L HN 0.394 nan 8.230 nan 0.000 0.437 350 Q N -1.311 118.494 119.800 0.008 0.000 2.247 350 Q HA 0.119 4.459 4.340 0.000 0.000 0.204 350 Q C 1.395 177.390 176.000 -0.009 0.000 0.872 350 Q CA 0.534 56.335 55.803 -0.003 0.000 0.951 350 Q CB 0.838 29.562 28.738 -0.023 0.000 1.099 350 Q HN 0.401 nan 8.270 nan 0.000 0.501 351 G N 1.395 110.215 108.800 0.034 0.000 3.337 351 G HA2 -0.027 3.934 3.960 0.000 0.000 0.246 351 G HA3 -0.027 3.934 3.960 0.000 0.000 0.246 351 G C 0.402 175.019 174.900 -0.471 0.000 1.131 351 G CA -0.448 44.560 45.100 -0.153 0.000 0.773 351 G HN 0.337 nan 8.290 nan 0.000 0.544 352 N N -0.745 117.842 118.700 -0.189 0.000 2.688 352 N HA -0.245 4.496 4.740 0.000 0.000 0.258 352 N C -0.121 175.246 175.510 -0.238 0.000 1.016 352 N CA 0.367 53.315 53.050 -0.171 0.000 0.747 352 N CB -1.452 36.930 38.487 -0.176 0.000 0.895 352 N HN 0.459 nan 8.380 nan 0.000 0.543 353 Y N -0.894 119.454 120.300 0.079 0.000 2.458 353 Y HA 0.368 4.919 4.550 0.000 0.000 0.256 353 Y C 1.965 177.852 175.900 -0.022 0.000 1.159 353 Y CA 0.410 58.554 58.100 0.074 0.000 1.261 353 Y CB 0.449 39.020 38.460 0.186 0.000 1.119 353 Y HN 0.398 nan 8.280 nan 0.000 0.524 354 G N -1.111 107.696 108.800 0.012 0.000 2.159 354 G HA2 -0.280 3.681 3.960 0.000 0.000 0.227 354 G HA3 -0.280 3.681 3.960 0.000 0.000 0.227 354 G C -0.348 174.298 174.900 -0.423 0.000 0.986 354 G CA -0.595 44.337 45.100 -0.280 0.000 0.651 354 G HN 0.239 nan 8.290 nan 0.000 0.523 355 Y N 0.535 120.844 120.300 0.016 0.000 2.299 355 Y HA 0.605 5.155 4.550 0.000 0.000 0.326 355 Y C 0.694 176.586 175.900 -0.013 0.000 1.164 355 Y CA 0.599 58.711 58.100 0.020 0.000 1.234 355 Y CB 1.235 39.743 38.460 0.081 0.000 1.219 355 Y HN 0.522 nan 8.280 nan 0.000 0.497 356 Q N 3.200 123.102 119.800 0.170 0.000 2.333 356 Q HA 0.453 4.793 4.340 0.000 0.000 0.268 356 Q C -0.653 175.410 176.000 0.105 0.000 1.007 356 Q CA -1.276 54.595 55.803 0.113 0.000 0.810 356 Q CB 1.318 30.123 28.738 0.111 0.000 1.264 356 Q HN 0.761 nan 8.270 nan 0.000 0.452 357 R N 2.764 123.304 120.500 0.067 0.000 2.267 357 R HA 0.644 4.984 4.340 0.000 0.000 0.319 357 R C -1.027 175.244 176.300 -0.048 0.000 1.067 357 R CA -0.010 56.117 56.100 0.044 0.000 0.936 357 R CB 0.208 30.564 30.300 0.093 0.000 1.006 357 R HN 0.692 nan 8.270 nan 0.000 0.452 358 L N 3.663 124.727 121.223 -0.266 0.000 2.286 358 L HA 0.612 4.952 4.340 0.000 0.000 0.265 358 L C -0.741 175.954 176.870 -0.292 0.000 1.012 358 L CA -1.015 53.581 54.840 -0.407 0.000 0.818 358 L CB 1.961 43.536 42.059 -0.806 0.000 1.337 358 L HN 0.644 nan 8.230 nan 0.000 0.438 359 W N 1.842 123.003 121.300 -0.233 0.000 2.998 359 W HA 0.332 4.992 4.660 0.000 0.000 0.335 359 W C -1.598 175.016 176.519 0.157 0.000 1.110 359 W CA -0.563 56.772 57.345 -0.017 0.000 1.230 359 W CB 1.986 31.426 29.460 -0.032 0.000 1.405 359 W HN 0.432 nan 8.180 nan 0.000 0.493 360 N N 3.567 121.996 118.700 -0.452 0.000 2.469 360 N HA 0.074 4.815 4.740 0.000 0.000 0.253 360 N C -0.178 174.876 175.510 -0.759 0.000 0.970 360 N CA 0.182 52.997 53.050 -0.393 0.000 0.940 360 N CB 1.262 39.508 38.487 -0.402 0.000 1.128 360 N HN 0.434 nan 8.380 nan 0.000 0.503 361 D N 1.987 122.209 120.400 -0.296 0.000 2.363 361 D HA 0.038 4.678 4.640 0.000 0.000 0.226 361 D C 1.123 177.351 176.300 -0.120 0.000 1.020 361 D CA 0.843 54.779 54.000 -0.106 0.000 0.892 361 D CB 0.626 41.511 40.800 0.142 0.000 0.900 361 D HN 0.422 nan 8.370 nan 0.000 0.531 362 K N -0.953 119.356 120.400 -0.152 0.000 2.172 362 K HA 0.032 4.353 4.320 0.000 0.000 0.203 362 K C 2.109 178.661 176.600 -0.080 0.000 1.040 362 K CA 1.127 57.373 56.287 -0.068 0.000 0.974 362 K CB -0.554 31.927 32.500 -0.031 0.000 0.857 362 K HN 0.219 nan 8.250 nan 0.000 0.464 363 T N -0.465 113.948 114.554 -0.235 0.000 3.023 363 T HA 0.020 4.370 4.350 0.000 0.000 0.266 363 T C 0.476 174.920 174.700 -0.427 0.000 1.093 363 T CA 0.224 62.150 62.100 -0.290 0.000 1.129 363 T CB -0.026 68.565 68.868 -0.461 0.000 0.899 363 T HN -0.006 nan 8.240 nan 0.000 0.491 364 K N 2.102 122.104 120.400 -0.663 0.000 3.125 364 K HA -0.114 4.206 4.320 0.000 0.000 0.268 364 K C -0.040 175.978 176.600 -0.971 0.000 1.078 364 K CA 1.243 56.991 56.287 -0.899 0.000 0.775 364 K CB -2.845 29.281 32.500 -0.622 0.000 1.253 364 K HN 0.894 nan 8.250 nan 0.000 0.486 365 T N -2.351 111.474 114.554 -1.216 0.000 2.909 365 T HA 0.717 5.067 4.350 0.000 0.000 0.299 365 T C -2.884 171.447 174.700 -0.615 0.000 1.073 365 T CA -1.761 59.907 62.100 -0.719 0.000 0.999 365 T CB 3.793 72.437 68.868 -0.373 0.000 1.098 365 T HN -0.157 nan 8.240 nan 0.000 0.477 366 P HA 0.575 nan 4.420 nan 0.000 0.284 366 P C -1.645 175.699 177.300 0.074 0.000 1.287 366 P CA -0.556 62.535 63.100 -0.014 0.000 0.824 366 P CB 0.710 32.327 31.700 -0.140 0.000 1.180 367 Y N -2.634 117.708 120.300 0.071 0.000 2.604 367 Y HA 0.602 5.152 4.550 0.000 0.000 0.331 367 Y C -1.821 174.180 175.900 0.167 0.000 1.158 367 Y CA -1.376 56.767 58.100 0.072 0.000 1.056 367 Y CB 0.475 38.876 38.460 -0.099 0.000 1.330 367 Y HN 0.089 nan 8.280 nan 0.000 0.457 368 L N 3.222 124.530 121.223 0.142 0.000 2.317 368 L HA 0.514 4.854 4.340 0.000 0.000 0.281 368 L C -1.367 175.682 176.870 0.297 0.000 1.024 368 L CA -1.068 53.854 54.840 0.137 0.000 0.810 368 L CB 1.786 43.837 42.059 -0.012 0.000 1.240 368 L HN 0.783 nan 8.230 nan 0.000 0.427 369 Y N 2.659 123.098 120.300 0.233 0.000 2.373 369 Y HA 0.321 4.871 4.550 0.000 0.000 0.336 369 Y C -0.785 175.278 175.900 0.273 0.000 0.979 369 Y CA -0.869 57.410 58.100 0.297 0.000 1.080 369 Y CB 1.037 39.661 38.460 0.275 0.000 1.190 369 Y HN 0.491 nan 8.280 nan 0.000 0.446 370 H N 6.331 125.217 119.070 -0.306 0.000 2.690 370 H HA 0.480 5.036 4.556 0.000 0.000 0.280 370 H C 0.282 175.141 175.328 -0.782 0.000 1.138 370 H CA 0.541 56.311 56.048 -0.463 0.000 1.241 370 H CB 1.404 30.936 29.762 -0.383 0.000 1.394 370 H HN 0.993 nan 8.280 nan 0.000 0.489 371 A N 3.952 126.171 122.820 -1.002 0.000 1.883 371 A HA -0.213 4.107 4.320 0.000 0.000 0.217 371 A C 2.254 179.668 177.584 -0.284 0.000 1.186 371 A CA 1.684 53.293 52.037 -0.714 0.000 0.624 371 A CB -0.424 18.391 19.000 -0.309 0.000 0.822 371 A HN 0.804 nan 8.150 nan 0.000 0.444 372 Q N -0.285 119.338 119.800 -0.295 0.000 2.061 372 Q HA -0.194 4.146 4.340 0.000 0.000 0.204 372 Q C 1.329 177.378 176.000 0.081 0.000 0.984 372 Q CA 2.014 57.772 55.803 -0.075 0.000 0.846 372 Q CB -0.180 28.515 28.738 -0.072 0.000 0.902 372 Q HN 0.844 nan 8.270 nan 0.000 0.421 373 N N -1.475 117.389 118.700 0.273 0.000 2.236 373 N HA 0.136 4.876 4.740 0.000 0.000 0.196 373 N C -0.131 175.418 175.510 0.066 0.000 1.114 373 N CA 0.291 53.407 53.050 0.110 0.000 0.859 373 N CB 1.016 39.474 38.487 -0.047 0.000 0.982 373 N HN 0.330 nan 8.380 nan 0.000 0.493 374 G N 1.756 110.598 108.800 0.070 0.000 2.353 374 G HA2 -0.216 3.744 3.960 0.000 0.000 0.294 374 G HA3 -0.216 3.744 3.960 0.000 0.000 0.294 374 G C -0.751 174.239 174.900 0.151 0.000 1.077 374 G CA -0.081 45.083 45.100 0.107 0.000 1.098 374 G HN 0.054 nan 8.290 nan 0.000 0.511 375 L N -0.393 120.946 121.223 0.192 0.000 2.334 375 L HA 0.922 5.262 4.340 0.000 0.000 0.273 375 L C -0.087 177.077 176.870 0.490 0.000 1.013 375 L CA -1.768 53.257 54.840 0.309 0.000 0.816 375 L CB 1.765 44.012 42.059 0.314 0.000 1.278 375 L HN 0.281 nan 8.230 nan 0.000 0.431 376 F N 2.389 122.546 119.950 0.345 0.000 2.557 376 F HA 0.754 5.282 4.527 0.000 0.000 0.316 376 F C -1.230 174.788 175.800 0.364 0.000 1.141 376 F CA -0.655 57.542 58.000 0.327 0.000 0.922 376 F CB 1.627 40.686 39.000 0.099 0.000 1.194 376 F HN 0.102 nan 8.300 nan 0.000 0.443 377 V N 4.457 124.126 119.914 -0.408 0.000 2.531 377 V HA 0.453 4.573 4.120 0.000 0.000 0.301 377 V C -0.373 175.484 176.094 -0.394 0.000 1.034 377 V CA -0.733 61.434 62.300 -0.221 0.000 0.865 377 V CB 1.807 33.562 31.823 -0.113 0.000 0.995 377 V HN 0.823 nan 8.190 nan 0.000 0.424 378 T N 5.344 119.841 114.554 -0.094 0.000 2.767 378 T HA 0.731 5.081 4.350 0.000 0.000 0.284 378 T C -0.917 173.933 174.700 0.250 0.000 0.973 378 T CA -0.178 61.963 62.100 0.069 0.000 0.996 378 T CB 0.335 69.322 68.868 0.199 0.000 0.927 378 T HN 0.802 nan 8.240 nan 0.000 0.456 379 Y N 1.564 121.884 120.300 0.032 0.000 2.744 379 Y HA 0.806 5.357 4.550 0.001 0.000 0.330 379 Y C -1.578 174.338 175.900 0.027 0.000 1.263 379 Y CA -1.675 56.432 58.100 0.010 0.000 1.065 379 Y CB 0.543 39.000 38.460 -0.005 0.000 1.306 379 Y HN 0.477 nan 8.280 nan 0.000 0.459 380 D N 0.574 120.906 120.400 -0.114 0.000 2.433 380 D HA 0.517 5.157 4.640 0.000 0.000 0.236 380 D C -1.324 174.688 176.300 -0.480 0.000 1.026 380 D CA -0.082 53.735 54.000 -0.306 0.000 0.884 380 D CB 1.836 42.600 40.800 -0.060 0.000 1.384 380 D HN 0.730 nan 8.370 nan 0.000 0.477 381 D N -0.729 119.250 120.400 -0.702 0.000 2.812 381 D HA 0.396 5.036 4.640 0.000 0.000 0.318 381 D C 0.476 176.266 176.300 -0.850 0.000 1.234 381 D CA -0.737 52.846 54.000 -0.696 0.000 0.989 381 D CB 0.328 41.060 40.800 -0.114 0.000 1.442 381 D HN 0.285 nan 8.370 nan 0.000 0.537 382 A N -0.326 122.191 122.820 -0.504 0.000 1.978 382 A HA -0.210 4.111 4.320 0.000 0.000 0.220 382 A C 1.918 179.502 177.584 -0.000 0.000 1.170 382 A CA 2.332 54.243 52.037 -0.210 0.000 0.636 382 A CB -0.970 17.969 19.000 -0.101 0.000 0.810 382 A HN 0.702 nan 8.150 nan 0.000 0.448 383 E N 0.274 120.447 120.200 -0.046 0.000 2.046 383 E HA -0.149 4.201 4.350 0.000 0.000 0.190 383 E C 2.191 178.946 176.600 0.259 0.000 0.982 383 E CA 1.401 57.807 56.400 0.010 0.000 0.800 383 E CB -0.141 29.451 29.700 -0.180 0.000 0.756 383 E HN 0.716 nan 8.360 nan 0.000 0.449 384 S N 0.052 115.948 115.700 0.327 0.000 2.399 384 S HA -0.146 4.324 4.470 0.000 0.000 0.231 384 S C 1.747 176.638 174.600 0.486 0.000 1.022 384 S CA 0.741 59.225 58.200 0.474 0.000 0.983 384 S CB -0.524 62.787 63.200 0.184 0.000 0.803 384 S HN 0.237 nan 8.310 nan 0.000 0.480 385 F N 2.377 122.429 119.950 0.171 0.000 2.365 385 F HA 0.206 4.733 4.527 0.000 0.000 0.300 385 F C 2.238 178.067 175.800 0.047 0.000 1.090 385 F CA -0.046 58.046 58.000 0.153 0.000 1.408 385 F CB -0.738 38.361 39.000 0.167 0.000 1.060 385 F HN 0.281 nan 8.300 nan 0.000 0.534 386 K N -0.771 119.620 120.400 -0.015 0.000 2.057 386 K HA -0.190 4.130 4.320 0.000 0.000 0.207 386 K C 1.967 178.380 176.600 -0.311 0.000 1.049 386 K CA 1.664 57.606 56.287 -0.575 0.000 0.931 386 K CB -0.451 31.632 32.500 -0.695 0.000 0.714 386 K HN 0.220 nan 8.250 nan 0.000 0.440 387 Y N 1.302 121.658 120.300 0.093 0.000 2.200 387 Y HA -0.124 4.426 4.550 0.000 0.000 0.290 387 Y C 2.180 178.169 175.900 0.148 0.000 1.137 387 Y CA 1.158 59.345 58.100 0.145 0.000 1.163 387 Y CB -0.114 38.449 38.460 0.172 0.000 0.988 387 Y HN -0.058 nan 8.280 nan 0.000 0.518 388 K N -0.086 120.480 120.400 0.277 0.000 2.097 388 K HA -0.125 4.196 4.320 0.000 0.000 0.206 388 K C 2.373 179.132 176.600 0.264 0.000 1.049 388 K CA 1.054 57.473 56.287 0.221 0.000 0.933 388 K CB -0.341 32.274 32.500 0.192 0.000 0.717 388 K HN 0.277 nan 8.250 nan 0.000 0.442 389 A N 1.772 124.700 122.820 0.179 0.000 1.902 389 A HA -0.214 4.107 4.320 0.000 0.000 0.217 389 A C 2.048 179.818 177.584 0.310 0.000 1.181 389 A CA 1.694 53.831 52.037 0.168 0.000 0.623 389 A CB -0.337 18.558 19.000 -0.176 0.000 0.818 389 A HN 0.227 nan 8.150 nan 0.000 0.443 390 K N -1.836 118.692 120.400 0.214 0.000 2.057 390 K HA -0.189 4.131 4.320 0.000 0.000 0.206 390 K C 1.899 178.670 176.600 0.286 0.000 1.050 390 K CA 1.592 58.016 56.287 0.228 0.000 0.935 390 K CB -0.416 32.181 32.500 0.162 0.000 0.715 390 K HN 0.480 nan 8.250 nan 0.000 0.439 391 Y N 1.359 121.776 120.300 0.194 0.000 2.128 391 Y HA -0.214 4.336 4.550 0.001 0.000 0.284 391 Y C 1.744 177.748 175.900 0.175 0.000 1.154 391 Y CA 1.839 60.050 58.100 0.185 0.000 1.149 391 Y CB -0.114 38.424 38.460 0.130 0.000 0.976 391 Y HN 0.031 nan 8.280 nan 0.000 0.505 392 I N 0.084 120.858 120.570 0.340 0.000 2.208 392 I HA -0.367 3.803 4.170 0.000 0.000 0.245 392 I C 2.250 178.442 176.117 0.124 0.000 1.097 392 I CA 1.768 63.207 61.300 0.232 0.000 1.363 392 I CB -0.352 37.856 38.000 0.348 0.000 1.051 392 I HN 0.230 nan 8.210 nan 0.000 0.413 393 K N 0.299 120.815 120.400 0.193 0.000 2.001 393 K HA -0.177 4.144 4.320 0.000 0.000 0.208 393 K C 2.165 178.801 176.600 0.061 0.000 1.048 393 K CA 1.255 57.623 56.287 0.134 0.000 0.932 393 K CB -0.227 32.392 32.500 0.199 0.000 0.715 393 K HN 0.341 nan 8.250 nan 0.000 0.437 394 Q N 0.552 120.382 119.800 0.050 0.000 2.061 394 Q HA -0.157 4.184 4.340 0.000 0.000 0.204 394 Q C 1.870 177.830 176.000 -0.067 0.000 0.984 394 Q CA 1.138 56.944 55.803 0.004 0.000 0.846 394 Q CB 0.056 28.806 28.738 0.020 0.000 0.902 394 Q HN 0.246 nan 8.270 nan 0.000 0.421 395 Q N 0.228 119.922 119.800 -0.177 0.000 2.444 395 Q HA -0.022 4.319 4.340 0.000 0.000 0.206 395 Q C -0.206 175.748 176.000 -0.077 0.000 0.948 395 Q CA 0.330 56.014 55.803 -0.197 0.000 0.946 395 Q CB 0.366 28.846 28.738 -0.430 0.000 1.027 395 Q HN 0.414 nan 8.270 nan 0.000 0.513 396 Q N 0.302 120.080 119.800 -0.037 0.000 2.453 396 Q HA -0.199 4.141 4.340 0.000 0.000 0.294 396 Q C -0.511 175.491 176.000 0.003 0.000 1.295 396 Q CA 0.267 56.066 55.803 -0.007 0.000 0.853 396 Q CB -1.962 26.777 28.738 0.001 0.000 1.193 396 Q HN 0.378 nan 8.270 nan 0.000 0.461 397 L N -1.580 119.644 121.223 0.003 0.000 2.475 397 L HA 0.214 4.554 4.340 0.000 0.000 0.253 397 L C 1.884 178.766 176.870 0.020 0.000 1.198 397 L CA 0.518 55.375 54.840 0.028 0.000 0.814 397 L CB 0.110 42.200 42.059 0.053 0.000 1.134 397 L HN 0.307 nan 8.230 nan 0.000 0.478 398 G N -0.580 108.257 108.800 0.062 0.000 2.443 398 G HA2 0.318 4.278 3.960 0.000 0.000 0.219 398 G HA3 0.318 4.278 3.960 0.000 0.000 0.219 398 G C 0.571 175.431 174.900 -0.066 0.000 1.131 398 G CA 0.783 45.942 45.100 0.098 0.000 0.775 398 G HN 0.948 nan 8.290 nan 0.000 0.547 399 G N -2.053 106.677 108.800 -0.116 0.000 2.398 399 G HA2 0.376 4.337 3.960 0.000 0.000 0.251 399 G HA3 0.376 4.337 3.960 0.000 0.000 0.251 399 G C -1.742 173.126 174.900 -0.053 0.000 1.277 399 G CA 0.175 45.144 45.100 -0.218 0.000 0.927 399 G HN 0.774 nan 8.290 nan 0.000 0.477 400 V N 1.227 121.152 119.914 0.018 0.000 2.914 400 V HA 0.897 5.018 4.120 0.000 0.000 0.314 400 V C -0.557 175.586 176.094 0.082 0.000 1.084 400 V CA -0.725 61.660 62.300 0.141 0.000 0.963 400 V CB 1.820 33.828 31.823 0.309 0.000 1.025 400 V HN 1.099 nan 8.190 nan 0.000 0.432 401 M N 6.273 125.947 119.600 0.124 0.000 2.572 401 M HA 0.679 5.159 4.480 0.000 0.000 0.299 401 M C -2.155 174.289 176.300 0.240 0.000 1.205 401 M CA -0.563 54.784 55.300 0.078 0.000 0.876 401 M CB 2.111 34.784 32.600 0.122 0.000 1.728 401 M HN 0.750 nan 8.290 nan 0.000 0.458 402 F N 1.361 121.363 119.950 0.087 0.000 2.608 402 F HA 0.695 5.222 4.527 0.000 0.000 0.309 402 F C -2.047 173.770 175.800 0.028 0.000 1.103 402 F CA -1.018 56.950 58.000 -0.053 0.000 0.954 402 F CB 1.155 39.778 39.000 -0.628 0.000 1.267 402 F HN 0.683 nan 8.300 nan 0.000 0.444 403 W N 5.922 127.281 121.300 0.098 0.000 2.362 403 W HA 0.549 5.209 4.660 0.000 0.000 0.316 403 W C -1.888 174.747 176.519 0.193 0.000 1.024 403 W CA -0.672 56.733 57.345 0.100 0.000 1.270 403 W CB 1.357 30.766 29.460 -0.084 0.000 1.273 403 W HN 1.022 nan 8.180 nan 0.000 0.424 404 H N 2.551 121.374 119.070 -0.412 0.000 2.985 404 H HA 0.338 4.895 4.556 0.000 0.000 0.360 404 H C 0.306 175.494 175.328 -0.234 0.000 1.221 404 H CA -0.991 54.704 56.048 -0.589 0.000 1.121 404 H CB 1.147 30.022 29.762 -1.478 0.000 1.854 404 H HN 0.206 nan 8.280 nan 0.000 0.551 405 L N 1.627 122.872 121.223 0.037 0.000 2.051 405 L HA -0.032 4.308 4.340 0.000 0.000 0.214 405 L C 2.161 178.777 176.870 -0.423 0.000 1.076 405 L CA 2.637 57.547 54.840 0.117 0.000 0.758 405 L CB -1.037 41.199 42.059 0.296 0.000 0.890 405 L HN 1.044 nan 8.230 nan 0.000 0.433 406 G N -2.026 106.455 108.800 -0.532 0.000 2.882 406 G HA2 -0.138 3.822 3.960 0.000 0.000 0.206 406 G HA3 -0.138 3.822 3.960 0.000 0.000 0.206 406 G C 1.212 175.669 174.900 -0.739 0.000 1.155 406 G CA 0.370 44.864 45.100 -1.009 0.000 0.800 406 G HN 0.592 nan 8.290 nan 0.000 0.524 407 Q N -0.481 118.962 119.800 -0.595 0.000 2.247 407 Q HA 0.105 4.445 4.340 0.000 0.000 0.211 407 Q C 0.091 176.111 176.000 0.032 0.000 0.861 407 Q CA -0.516 55.155 55.803 -0.221 0.000 0.949 407 Q CB 0.696 29.314 28.738 -0.199 0.000 1.115 407 Q HN 0.269 nan 8.270 nan 0.000 0.507 408 D N 1.801 122.232 120.400 0.052 0.000 2.360 408 D HA -0.021 4.619 4.640 0.000 0.000 0.242 408 D C -0.086 176.338 176.300 0.207 0.000 1.184 408 D CA -0.077 53.971 54.000 0.081 0.000 0.930 408 D CB 0.687 41.560 40.800 0.122 0.000 1.161 408 D HN 0.098 nan 8.370 nan 0.000 0.447 409 N N 0.855 119.685 118.700 0.217 0.000 2.317 409 N HA 0.028 4.768 4.740 0.000 0.000 0.245 409 N C 0.906 176.548 175.510 0.219 0.000 1.294 409 N CA -0.205 52.968 53.050 0.204 0.000 0.924 409 N CB 0.412 39.003 38.487 0.173 0.000 1.186 409 N HN 0.225 nan 8.380 nan 0.000 0.495 410 R N -0.339 120.249 120.500 0.147 0.000 2.127 410 R HA -0.051 4.290 4.340 0.000 0.000 0.238 410 R C 0.487 176.830 176.300 0.072 0.000 1.134 410 R CA 1.062 57.216 56.100 0.091 0.000 0.975 410 R CB -0.634 29.681 30.300 0.025 0.000 0.865 410 R HN 0.630 nan 8.270 nan 0.000 0.447 411 N N -0.366 118.375 118.700 0.067 0.000 2.467 411 N HA -0.030 4.710 4.740 0.000 0.000 0.184 411 N C 0.766 176.310 175.510 0.058 0.000 1.106 411 N CA 0.994 54.071 53.050 0.044 0.000 0.892 411 N CB 0.322 38.824 38.487 0.025 0.000 0.969 411 N HN 0.358 nan 8.380 nan 0.000 0.454 412 G N 1.528 110.388 108.800 0.100 0.000 2.246 412 G HA2 -0.255 3.705 3.960 0.000 0.000 0.273 412 G HA3 -0.255 3.705 3.960 0.000 0.000 0.273 412 G C 0.467 175.363 174.900 -0.006 0.000 1.055 412 G CA 0.414 45.572 45.100 0.097 0.000 0.851 412 G HN 0.219 nan 8.290 nan 0.000 0.500 413 D N -0.097 120.275 120.400 -0.045 0.000 2.117 413 D HA -0.073 4.567 4.640 0.000 0.000 0.197 413 D C 2.744 178.902 176.300 -0.237 0.000 0.987 413 D CA 1.060 54.991 54.000 -0.116 0.000 0.829 413 D CB -0.037 40.715 40.800 -0.079 0.000 0.961 413 D HN 0.542 nan 8.370 nan 0.000 0.460 414 L N 0.193 121.177 121.223 -0.397 0.000 2.017 414 L HA -0.158 4.182 4.340 0.000 0.000 0.208 414 L C 2.465 179.184 176.870 -0.253 0.000 1.073 414 L CA 0.596 55.115 54.840 -0.535 0.000 0.745 414 L CB -0.440 40.847 42.059 -1.286 0.000 0.894 414 L HN 0.103 nan 8.230 nan 0.000 0.432 415 L N 0.434 121.560 121.223 -0.161 0.000 2.046 415 L HA -0.120 4.220 4.340 0.000 0.000 0.208 415 L C 2.584 179.413 176.870 -0.069 0.000 1.077 415 L CA 2.014 56.829 54.840 -0.042 0.000 0.747 415 L CB -0.778 41.333 42.059 0.087 0.000 0.896 415 L HN 0.123 nan 8.230 nan 0.000 0.432 416 A N -0.340 122.420 122.820 -0.100 0.000 1.933 416 A HA -0.048 4.272 4.320 0.000 0.000 0.218 416 A C 2.466 179.878 177.584 -0.287 0.000 1.175 416 A CA 1.722 53.678 52.037 -0.134 0.000 0.628 416 A CB -1.129 17.808 19.000 -0.104 0.000 0.814 416 A HN 0.611 nan 8.150 nan 0.000 0.444 417 A N -0.141 122.456 122.820 -0.372 0.000 1.877 417 A HA -0.032 4.289 4.320 0.000 0.000 0.216 417 A C 2.172 179.103 177.584 -1.089 0.000 1.186 417 A CA 1.469 53.058 52.037 -0.747 0.000 0.620 417 A CB -0.607 18.115 19.000 -0.463 0.000 0.822 417 A HN 0.468 nan 8.150 nan 0.000 0.443 418 L N -0.594 120.306 121.223 -0.539 0.000 2.017 418 L HA -0.220 4.120 4.340 0.000 0.000 0.208 418 L C 2.466 179.092 176.870 -0.406 0.000 1.073 418 L CA 1.965 56.528 54.840 -0.462 0.000 0.745 418 L CB -0.655 41.301 42.059 -0.173 0.000 0.894 418 L HN 0.531 nan 8.230 nan 0.000 0.432 419 D N -0.040 120.247 120.400 -0.188 0.000 2.144 419 D HA -0.247 4.393 4.640 0.000 0.000 0.199 419 D C 2.283 178.508 176.300 -0.125 0.000 0.984 419 D CA 1.183 55.161 54.000 -0.036 0.000 0.834 419 D CB 0.070 40.873 40.800 0.005 0.000 0.955 419 D HN 0.074 nan 8.370 nan 0.000 0.465 420 R N -1.198 119.107 120.500 -0.325 0.000 2.073 420 R HA -0.196 4.144 4.340 0.000 0.000 0.234 420 R C 1.912 178.037 176.300 -0.292 0.000 1.134 420 R CA 1.431 57.340 56.100 -0.318 0.000 0.952 420 R CB -0.465 29.558 30.300 -0.462 0.000 0.850 420 R HN 0.252 nan 8.270 nan 0.000 0.433 421 Y N -0.497 119.486 120.300 -0.529 0.000 2.333 421 Y HA -0.120 4.430 4.550 0.000 0.000 0.290 421 Y C 1.812 177.611 175.900 -0.169 0.000 1.144 421 Y CA 0.652 58.381 58.100 -0.618 0.000 1.228 421 Y CB -0.437 37.584 38.460 -0.732 0.000 0.985 421 Y HN 0.070 nan 8.280 nan 0.000 0.542 422 F N -0.695 119.333 119.950 0.130 0.000 2.446 422 F HA 0.064 4.592 4.527 0.000 0.000 0.292 422 F C 1.558 177.424 175.800 0.111 0.000 1.096 422 F CA 0.528 58.604 58.000 0.127 0.000 1.438 422 F CB -0.265 38.788 39.000 0.088 0.000 1.107 422 F HN 0.044 nan 8.300 nan 0.000 0.546 423 N N -0.485 118.367 118.700 0.254 0.000 2.193 423 N HA 0.231 4.971 4.740 0.000 0.000 0.210 423 N C 0.400 175.993 175.510 0.137 0.000 1.215 423 N CA 0.258 53.415 53.050 0.178 0.000 0.901 423 N CB 0.494 39.068 38.487 0.146 0.000 1.060 423 N HN -0.002 nan 8.380 nan 0.000 0.508 424 A N 0.980 123.880 122.820 0.133 0.000 2.454 424 A HA 0.557 4.877 4.320 0.000 0.000 0.260 424 A C 1.416 179.092 177.584 0.152 0.000 1.106 424 A CA 0.121 52.233 52.037 0.125 0.000 0.780 424 A CB 0.435 19.505 19.000 0.116 0.000 1.044 424 A HN 0.235 nan 8.150 nan 0.000 0.498 425 A N 2.355 125.240 122.820 0.108 0.000 1.972 425 A HA -0.111 4.210 4.320 0.000 0.000 0.219 425 A C 1.310 178.949 177.584 0.092 0.000 1.169 425 A CA 1.804 53.897 52.037 0.092 0.000 0.635 425 A CB -0.372 18.667 19.000 0.065 0.000 0.810 425 A HN 0.853 nan 8.150 nan 0.000 0.446 426 D N -2.703 117.759 120.400 0.103 0.000 2.325 426 D HA 0.080 4.720 4.640 0.000 0.000 0.225 426 D C -0.027 176.355 176.300 0.137 0.000 1.096 426 D CA -0.283 53.773 54.000 0.093 0.000 0.844 426 D CB -0.536 40.308 40.800 0.073 0.000 0.925 426 D HN 0.441 nan 8.370 nan 0.000 0.513 427 Y N 1.346 121.677 120.300 0.052 0.000 2.331 427 Y HA 0.427 4.977 4.550 0.001 0.000 0.338 427 Y C -1.410 174.519 175.900 0.048 0.000 0.992 427 Y CA -1.523 56.615 58.100 0.064 0.000 1.121 427 Y CB 1.461 39.994 38.460 0.123 0.000 1.184 427 Y HN -0.194 nan 8.280 nan 0.000 0.469 428 D N 4.582 124.603 120.400 -0.631 0.000 2.469 428 D HA 0.164 4.805 4.640 0.000 0.000 0.251 428 D C -0.798 175.118 176.300 -0.639 0.000 1.173 428 D CA -0.620 53.101 54.000 -0.465 0.000 0.882 428 D CB 0.829 41.501 40.800 -0.213 0.000 1.129 428 D HN 0.654 nan 8.370 nan 0.000 0.549 429 D N 1.528 121.599 120.400 -0.548 0.000 2.388 429 D HA -0.016 4.624 4.640 0.000 0.000 0.221 429 D C 1.260 177.468 176.300 -0.153 0.000 1.133 429 D CA 0.005 53.783 54.000 -0.370 0.000 0.831 429 D CB -0.009 40.672 40.800 -0.199 0.000 0.962 429 D HN 0.203 nan 8.370 nan 0.000 0.502 430 S N 0.097 115.724 115.700 -0.122 0.000 2.400 430 S HA -0.236 4.234 4.470 0.000 0.000 0.232 430 S C 1.518 176.096 174.600 -0.036 0.000 1.025 430 S CA 0.795 58.965 58.200 -0.051 0.000 0.993 430 S CB -0.307 62.869 63.200 -0.039 0.000 0.808 430 S HN 0.169 nan 8.310 nan 0.000 0.478 431 Q N 0.406 120.170 119.800 -0.059 0.000 2.247 431 Q HA 0.405 4.745 4.340 0.000 0.000 0.204 431 Q C -0.125 175.865 176.000 -0.017 0.000 0.872 431 Q CA -0.251 55.535 55.803 -0.029 0.000 0.951 431 Q CB -0.117 28.601 28.738 -0.034 0.000 1.099 431 Q HN 0.524 nan 8.270 nan 0.000 0.501 432 L N 2.793 123.993 121.223 -0.040 0.000 2.477 432 L HA 0.049 4.389 4.340 0.000 0.000 0.272 432 L C 0.002 176.926 176.870 0.090 0.000 1.157 432 L CA 0.434 55.258 54.840 -0.026 0.000 0.889 432 L CB 0.355 42.335 42.059 -0.131 0.000 1.158 432 L HN -0.058 nan 8.230 nan 0.000 0.473 433 D N 5.648 126.147 120.400 0.166 0.000 2.339 433 D HA 0.029 4.669 4.640 0.000 0.000 0.241 433 D C 0.888 177.402 176.300 0.358 0.000 1.183 433 D CA -0.389 53.738 54.000 0.211 0.000 0.859 433 D CB 1.032 41.931 40.800 0.164 0.000 1.067 433 D HN 0.564 nan 8.370 nan 0.000 0.484 434 M N 2.552 122.345 119.600 0.322 0.000 2.632 434 M HA 0.091 4.571 4.480 0.000 0.000 0.256 434 M C 1.306 177.758 176.300 0.254 0.000 1.080 434 M CA 0.392 55.943 55.300 0.419 0.000 1.084 434 M CB -1.507 31.338 32.600 0.408 0.000 1.439 434 M HN 0.649 nan 8.290 nan 0.000 0.509 435 G N 0.687 109.575 108.800 0.146 0.000 2.782 435 G HA2 -0.225 3.735 3.960 0.000 0.000 0.228 435 G HA3 -0.225 3.735 3.960 0.000 0.000 0.228 435 G C 0.247 175.117 174.900 -0.051 0.000 1.372 435 G CA 0.091 45.224 45.100 0.055 0.000 0.862 435 G HN 0.441 nan 8.290 nan 0.000 0.547 436 T N -1.470 113.053 114.554 -0.051 0.000 3.214 436 T HA 0.596 4.946 4.350 0.000 0.000 0.264 436 T C 1.276 175.914 174.700 -0.104 0.000 1.012 436 T CA 1.018 63.067 62.100 -0.086 0.000 0.901 436 T CB 0.312 69.158 68.868 -0.037 0.000 1.070 436 T HN 1.950 nan 8.240 nan 0.000 0.561 437 G N 1.505 110.233 108.800 -0.121 0.000 2.664 437 G HA2 0.466 4.427 3.960 0.000 0.000 0.242 437 G HA3 0.466 4.427 3.960 0.000 0.000 0.242 437 G C -0.047 174.794 174.900 -0.098 0.000 1.225 437 G CA -0.845 44.229 45.100 -0.043 0.000 0.849 437 G HN 0.598 nan 8.290 nan 0.000 0.581 438 L N 0.815 122.049 121.223 0.018 0.000 2.477 438 L HA 0.242 4.582 4.340 0.000 0.000 0.272 438 L C 0.727 177.666 176.870 0.114 0.000 1.157 438 L CA -0.414 54.448 54.840 0.036 0.000 0.889 438 L CB 0.336 42.435 42.059 0.067 0.000 1.158 438 L HN 0.351 nan 8.230 nan 0.000 0.473 439 R N 2.010 122.545 120.500 0.057 0.000 2.457 439 R HA 0.275 4.615 4.340 0.000 0.000 0.284 439 R C -0.803 175.635 176.300 0.229 0.000 1.024 439 R CA -0.567 55.639 56.100 0.178 0.000 1.025 439 R CB 0.630 30.977 30.300 0.077 0.000 1.063 439 R HN 0.308 nan 8.270 nan 0.000 0.493 440 Y N 1.063 121.483 120.300 0.200 0.000 2.359 440 Y HA 0.125 4.675 4.550 0.000 0.000 0.334 440 Y C 0.568 176.536 175.900 0.113 0.000 1.058 440 Y CA 0.369 58.567 58.100 0.164 0.000 1.244 440 Y CB 0.893 39.466 38.460 0.189 0.000 1.187 440 Y HN 0.691 nan 8.280 nan 0.000 0.510 441 T N 1.927 116.327 114.554 -0.257 0.000 3.331 441 T HA 0.357 4.707 4.350 0.000 0.000 0.282 441 T C 0.549 175.106 174.700 -0.238 0.000 1.010 441 T CA -0.177 61.838 62.100 -0.142 0.000 0.928 441 T CB -0.454 68.359 68.868 -0.092 0.000 1.154 441 T HN 0.814 nan 8.240 nan 0.000 0.516 442 G N 0.810 109.351 108.800 -0.432 0.000 2.441 442 G HA2 0.488 4.448 3.960 0.000 0.000 0.243 442 G HA3 0.488 4.448 3.960 0.000 0.000 0.243 442 G C -0.720 174.127 174.900 -0.087 0.000 1.281 442 G CA -0.259 44.676 45.100 -0.274 0.000 0.854 442 G HN 0.442 nan 8.290 nan 0.000 0.560 443 V N 1.870 121.692 119.914 -0.154 0.000 2.443 443 V HA 0.698 4.818 4.120 0.000 0.000 0.293 443 V C 0.740 176.696 176.094 -0.230 0.000 1.021 443 V CA -0.237 61.982 62.300 -0.135 0.000 0.848 443 V CB 1.415 33.161 31.823 -0.129 0.000 0.998 443 V HN 1.048 nan 8.190 nan 0.000 0.424 444 G N 4.203 112.869 108.800 -0.222 0.000 2.489 444 G HA2 0.598 4.558 3.960 0.000 0.000 0.327 444 G HA3 0.598 4.558 3.960 0.000 0.000 0.327 444 G C -2.250 172.387 174.900 -0.439 0.000 1.189 444 G CA -1.756 43.095 45.100 -0.415 0.000 0.962 444 G HN 0.525 nan 8.290 nan 0.000 0.486 445 P HA 0.020 nan 4.420 nan 0.000 0.234 445 P C 1.286 178.410 177.300 -0.292 0.000 1.162 445 P CA 1.253 64.027 63.100 -0.543 0.000 0.759 445 P CB 0.330 31.564 31.700 -0.777 0.000 0.813 446 G N -0.644 108.035 108.800 -0.201 0.000 3.192 446 G HA2 -0.027 3.933 3.960 0.000 0.000 0.239 446 G HA3 -0.027 3.933 3.960 0.000 0.000 0.239 446 G C 0.581 175.468 174.900 -0.021 0.000 1.084 446 G CA -0.111 44.959 45.100 -0.049 0.000 0.784 446 G HN 0.327 nan 8.290 nan 0.000 0.540 447 N N 0.429 119.100 118.700 -0.049 0.000 2.547 447 N HA 0.144 4.884 4.740 0.000 0.000 0.285 447 N C -0.359 175.122 175.510 -0.047 0.000 1.600 447 N CA -0.331 52.706 53.050 -0.021 0.000 0.872 447 N CB -0.409 38.088 38.487 0.016 0.000 1.412 447 N HN 0.044 nan 8.380 nan 0.000 0.489 448 L N 1.542 122.725 121.223 -0.067 0.000 2.456 448 L HA 0.332 4.672 4.340 0.000 0.000 0.272 448 L C -1.663 175.174 176.870 -0.056 0.000 1.189 448 L CA -1.266 53.528 54.840 -0.078 0.000 0.846 448 L CB 0.272 42.283 42.059 -0.080 0.000 1.111 448 L HN 0.072 nan 8.230 nan 0.000 0.475 449 P HA 0.151 nan 4.420 nan 0.000 0.277 449 P C -0.590 176.678 177.300 -0.053 0.000 1.240 449 P CA -0.569 62.503 63.100 -0.047 0.000 0.798 449 P CB 1.059 32.734 31.700 -0.042 0.000 0.979 450 I N 2.659 123.200 120.570 -0.048 0.000 2.618 450 I HA 0.129 4.299 4.170 0.000 0.000 0.284 450 I C 0.984 177.074 176.117 -0.046 0.000 1.146 450 I CA 0.728 61.995 61.300 -0.054 0.000 1.425 450 I CB -0.642 37.330 38.000 -0.046 0.000 1.383 450 I HN 0.388 nan 8.210 nan 0.000 0.562 451 M N 4.788 124.358 119.600 -0.050 0.000 2.658 451 M HA 0.415 4.895 4.480 0.000 0.000 0.295 451 M C -0.557 175.727 176.300 -0.026 0.000 1.248 451 M CA -0.613 54.666 55.300 -0.035 0.000 0.843 451 M CB 2.760 35.338 32.600 -0.038 0.000 1.749 451 M HN 0.387 nan 8.290 nan 0.000 0.464 452 T N 1.332 115.880 114.554 -0.010 0.000 2.841 452 T HA 0.823 5.173 4.350 0.000 0.000 0.285 452 T C -1.323 173.388 174.700 0.019 0.000 0.991 452 T CA -0.678 61.423 62.100 0.001 0.000 0.966 452 T CB 1.556 70.424 68.868 0.001 0.000 0.962 452 T HN 0.727 nan 8.240 nan 0.000 0.438 453 A N 4.227 127.067 122.820 0.033 0.000 2.574 453 A HA 0.840 5.161 4.320 0.000 0.000 0.297 453 A C -3.130 174.495 177.584 0.069 0.000 1.062 453 A CA -1.831 50.239 52.037 0.054 0.000 0.686 453 A CB 0.986 20.026 19.000 0.067 0.000 1.285 453 A HN 0.534 nan 8.150 nan 0.000 0.403 454 P HA 0.321 nan 4.420 nan 0.000 0.263 454 P C 0.269 177.639 177.300 0.116 0.000 1.195 454 P CA 0.537 63.692 63.100 0.091 0.000 0.762 454 P CB 0.662 32.425 31.700 0.105 0.000 0.799 455 A N 4.126 127.011 122.820 0.109 0.000 2.547 455 A HA 0.002 4.322 4.320 0.000 0.000 0.233 455 A C -0.160 177.537 177.584 0.189 0.000 1.067 455 A CA 0.053 52.177 52.037 0.145 0.000 0.763 455 A CB -0.467 18.601 19.000 0.114 0.000 1.007 455 A HN 0.567 nan 8.150 nan 0.000 0.506 456 Y N 1.779 122.130 120.300 0.086 0.000 2.425 456 Y HA 0.368 4.918 4.550 0.000 0.000 0.331 456 Y C 0.152 176.128 175.900 0.127 0.000 1.157 456 Y CA 0.184 58.302 58.100 0.031 0.000 1.372 456 Y CB 0.771 39.073 38.460 -0.264 0.000 1.253 456 Y HN 0.546 nan 8.280 nan 0.000 0.536 457 V N 9.859 129.494 119.914 -0.464 0.000 2.326 457 V HA 0.467 4.587 4.120 0.000 0.000 0.281 457 V C -2.471 173.167 176.094 -0.758 0.000 1.015 457 V CA -2.623 59.393 62.300 -0.473 0.000 0.823 457 V CB 0.887 32.614 31.823 -0.159 0.000 1.009 457 V HN 0.787 nan 8.190 nan 0.000 0.436 458 P HA 0.218 nan 4.420 nan 0.000 0.270 458 P C 1.009 178.200 177.300 -0.181 0.000 1.221 458 P CA 1.601 64.469 63.100 -0.387 0.000 0.788 458 P CB 0.491 32.103 31.700 -0.147 0.000 0.904 459 G N -0.642 108.126 108.800 -0.053 0.000 2.196 459 G HA2 -0.239 3.721 3.960 0.000 0.000 0.268 459 G HA3 -0.239 3.721 3.960 0.000 0.000 0.268 459 G C 0.256 175.121 174.900 -0.058 0.000 0.975 459 G CA 0.718 45.798 45.100 -0.033 0.000 0.648 459 G HN 0.647 nan 8.290 nan 0.000 0.538 460 T N 0.762 115.254 114.554 -0.104 0.000 2.929 460 T HA 0.598 4.949 4.350 0.000 0.000 0.284 460 T C 0.112 174.712 174.700 -0.168 0.000 1.014 460 T CA 0.169 62.144 62.100 -0.208 0.000 1.051 460 T CB 1.772 70.388 68.868 -0.420 0.000 1.028 460 T HN 0.117 nan 8.240 nan 0.000 0.485 461 T N 2.933 117.361 114.554 -0.209 0.000 2.758 461 T HA 0.447 4.797 4.350 0.000 0.000 0.285 461 T C -0.990 173.569 174.700 -0.233 0.000 0.981 461 T CA -0.320 61.725 62.100 -0.092 0.000 0.965 461 T CB 0.051 68.927 68.868 0.012 0.000 0.927 461 T HN 0.362 nan 8.240 nan 0.000 0.448 462 Y N 1.685 122.003 120.300 0.030 0.000 2.342 462 Y HA 0.599 5.150 4.550 0.000 0.000 0.334 462 Y C 0.754 176.551 175.900 -0.171 0.000 1.067 462 Y CA -0.879 57.199 58.100 -0.036 0.000 1.128 462 Y CB 0.922 39.389 38.460 0.011 0.000 1.200 462 Y HN 0.772 nan 8.280 nan 0.000 0.464 463 A N 2.575 125.392 122.820 -0.005 0.000 2.267 463 A HA 0.227 4.547 4.320 0.000 0.000 0.271 463 A C -0.006 177.503 177.584 -0.124 0.000 1.131 463 A CA -0.628 51.334 52.037 -0.125 0.000 0.818 463 A CB 0.276 19.216 19.000 -0.099 0.000 1.118 463 A HN 0.689 nan 8.150 nan 0.000 0.501 464 Q N -0.376 119.351 119.800 -0.122 0.000 2.352 464 Q HA 0.371 4.711 4.340 0.000 0.000 0.260 464 Q C 0.890 176.833 176.000 -0.094 0.000 0.976 464 Q CA 1.121 56.849 55.803 -0.124 0.000 0.881 464 Q CB 0.787 29.499 28.738 -0.043 0.000 1.235 464 Q HN 1.861 nan 8.270 nan 0.000 0.419 465 G N 2.497 111.224 108.800 -0.122 0.000 2.179 465 G HA2 -0.306 3.654 3.960 0.000 0.000 0.260 465 G HA3 -0.306 3.654 3.960 0.000 0.000 0.260 465 G C 0.286 175.165 174.900 -0.035 0.000 0.977 465 G CA 0.254 45.315 45.100 -0.065 0.000 0.641 465 G HN 1.027 nan 8.290 nan 0.000 0.533 466 A N -0.151 122.642 122.820 -0.045 0.000 2.483 466 A HA 0.630 4.951 4.320 0.000 0.000 0.238 466 A C 0.378 177.998 177.584 0.060 0.000 1.070 466 A CA 0.515 52.573 52.037 0.035 0.000 0.770 466 A CB 0.305 19.371 19.000 0.110 0.000 1.008 466 A HN 0.984 nan 8.150 nan 0.000 0.497 467 L N 2.336 123.615 121.223 0.093 0.000 2.341 467 L HA 0.689 5.030 4.340 0.000 0.000 0.278 467 L C -0.291 176.646 176.870 0.110 0.000 1.005 467 L CA -0.731 54.179 54.840 0.117 0.000 0.818 467 L CB 1.898 44.004 42.059 0.077 0.000 1.259 467 L HN 0.724 nan 8.230 nan 0.000 0.418 468 V N -0.345 119.645 119.914 0.126 0.000 3.147 468 V HA 0.774 4.894 4.120 0.000 0.000 0.306 468 V C -0.450 175.739 176.094 0.159 0.000 1.209 468 V CA -0.663 61.687 62.300 0.083 0.000 1.023 468 V CB 2.061 33.836 31.823 -0.080 0.000 1.059 468 V HN 0.734 nan 8.190 nan 0.000 0.435 469 S N 2.102 117.905 115.700 0.172 0.000 2.565 469 S HA 0.879 5.349 4.470 0.000 0.000 0.290 469 S C -1.024 173.773 174.600 0.330 0.000 1.150 469 S CA -0.577 57.754 58.200 0.220 0.000 1.058 469 S CB 1.382 64.653 63.200 0.118 0.000 1.032 469 S HN 1.840 nan 8.310 nan 0.000 0.510 470 Y N 0.961 121.398 120.300 0.229 0.000 2.314 470 Y HA 0.220 4.770 4.550 0.000 0.000 0.317 470 Y C -0.726 175.332 175.900 0.263 0.000 1.234 470 Y CA -0.389 57.798 58.100 0.145 0.000 1.111 470 Y CB 0.867 39.241 38.460 -0.143 0.000 1.283 470 Y HN 0.954 nan 8.280 nan 0.000 0.418 471 Q N 4.464 124.086 119.800 -0.297 0.000 2.435 471 Q HA -0.245 4.095 4.340 0.000 0.000 0.312 471 Q C 1.044 177.078 176.000 0.058 0.000 1.333 471 Q CA 1.514 57.212 55.803 -0.174 0.000 0.883 471 Q CB -1.575 27.015 28.738 -0.246 0.000 1.170 471 Q HN 1.632 nan 8.270 nan 0.000 0.443 472 G N -2.187 106.588 108.800 -0.042 0.000 2.213 472 G HA2 -0.319 3.641 3.960 0.000 0.000 0.236 472 G HA3 -0.319 3.641 3.960 0.000 0.000 0.236 472 G C -0.298 174.279 174.900 -0.540 0.000 0.991 472 G CA 0.280 45.215 45.100 -0.275 0.000 0.629 472 G HN 0.378 nan 8.290 nan 0.000 0.517 473 Y N -1.235 119.053 120.300 -0.021 0.000 2.634 473 Y HA 0.677 5.227 4.550 0.001 0.000 0.340 473 Y C 0.178 175.931 175.900 -0.245 0.000 1.058 473 Y CA -1.166 56.775 58.100 -0.264 0.000 1.081 473 Y CB 1.926 39.968 38.460 -0.696 0.000 1.295 473 Y HN 0.099 nan 8.280 nan 0.000 0.487 474 V N 1.281 121.087 119.914 -0.179 0.000 2.394 474 V HA 0.305 4.425 4.120 0.000 0.000 0.282 474 V C -1.302 174.651 176.094 -0.236 0.000 1.031 474 V CA -0.810 61.444 62.300 -0.077 0.000 0.881 474 V CB 0.522 32.318 31.823 -0.045 0.000 0.982 474 V HN 0.636 nan 8.190 nan 0.000 0.451 475 W N 2.867 124.169 121.300 0.002 0.000 2.736 475 W HA 0.700 5.361 4.660 0.000 0.000 0.335 475 W C -0.124 176.502 176.519 0.178 0.000 1.059 475 W CA -0.573 56.800 57.345 0.046 0.000 1.226 475 W CB 1.334 30.746 29.460 -0.079 0.000 1.416 475 W HN 0.424 nan 8.180 nan 0.000 0.505 476 Q N 1.559 121.592 119.800 0.389 0.000 2.353 476 Q HA 0.467 4.807 4.340 0.000 0.000 0.268 476 Q C -0.171 175.835 176.000 0.010 0.000 1.045 476 Q CA -0.577 55.339 55.803 0.190 0.000 0.811 476 Q CB 1.886 30.660 28.738 0.060 0.000 1.305 476 Q HN 0.569 nan 8.270 nan 0.000 0.447 477 T N 0.709 115.071 114.554 -0.320 0.000 2.907 477 T HA 0.278 4.628 4.350 0.000 0.000 0.298 477 T C 0.433 174.857 174.700 -0.460 0.000 1.017 477 T CA -0.458 61.204 62.100 -0.730 0.000 1.118 477 T CB 1.080 69.378 68.868 -0.949 0.000 0.948 477 T HN 0.688 nan 8.240 nan 0.000 0.531 478 K N 1.337 121.384 120.400 -0.588 0.000 2.379 478 K HA 0.247 4.567 4.320 0.000 0.000 0.194 478 K C -0.215 176.387 176.600 0.004 0.000 1.031 478 K CA -0.090 56.050 56.287 -0.244 0.000 1.037 478 K CB 0.214 32.635 32.500 -0.132 0.000 0.824 478 K HN 0.845 nan 8.250 nan 0.000 0.516 479 W N -1.597 119.614 121.300 -0.147 0.000 2.923 479 W HA 0.586 5.246 4.660 0.001 0.000 0.373 479 W C -0.395 176.046 176.519 -0.129 0.000 1.205 479 W CA -1.522 55.759 57.345 -0.107 0.000 1.180 479 W CB -0.153 29.265 29.460 -0.070 0.000 1.477 479 W HN -0.163 nan 8.180 nan 0.000 0.581 480 G N -0.567 108.377 108.800 0.241 0.000 2.580 480 G HA2 0.409 4.369 3.960 0.000 0.000 0.278 480 G HA3 0.409 4.369 3.960 0.000 0.000 0.278 480 G C -1.022 173.989 174.900 0.185 0.000 1.212 480 G CA -0.467 44.660 45.100 0.045 0.000 0.939 480 G HN 1.059 nan 8.290 nan 0.000 0.513 481 Y N -2.282 118.054 120.300 0.060 0.000 3.168 481 Y HA -0.168 4.383 4.550 0.001 0.000 0.207 481 Y C 0.515 176.450 175.900 0.058 0.000 1.280 481 Y CA -0.294 57.841 58.100 0.059 0.000 1.235 481 Y CB -1.770 36.733 38.460 0.072 0.000 1.370 481 Y HN 0.218 nan 8.280 nan 0.000 0.537 482 I N 0.832 121.444 120.570 0.070 0.000 2.395 482 I HA 0.230 4.400 4.170 0.000 0.000 0.289 482 I C 1.231 177.464 176.117 0.193 0.000 1.023 482 I CA 0.375 61.689 61.300 0.023 0.000 1.350 482 I CB 1.288 39.083 38.000 -0.341 0.000 1.409 482 I HN 0.415 nan 8.210 nan 0.000 0.507 483 T N -0.978 113.700 114.554 0.207 0.000 3.403 483 T HA 0.060 4.410 4.350 0.000 0.000 0.308 483 T C 0.853 175.687 174.700 0.223 0.000 0.952 483 T CA 0.141 62.381 62.100 0.234 0.000 0.970 483 T CB -0.228 68.734 68.868 0.157 0.000 1.189 483 T HN 0.545 nan 8.240 nan 0.000 0.528 484 S N 1.160 116.995 115.700 0.225 0.000 2.524 484 S HA 0.637 5.107 4.470 0.000 0.000 0.216 484 S C 1.064 175.680 174.600 0.026 0.000 0.987 484 S CA 0.098 58.384 58.200 0.143 0.000 0.909 484 S CB -0.379 62.897 63.200 0.126 0.000 0.781 484 S HN 1.837 nan 8.310 nan 0.000 0.521 485 A N 1.420 124.199 122.820 -0.068 0.000 2.435 485 A HA 0.058 4.378 4.320 0.000 0.000 0.686 485 A C -2.994 173.838 177.584 -1.252 0.000 0.138 485 A CA -0.574 50.900 52.037 -0.938 0.000 0.025 485 A CB -2.066 16.605 19.000 -0.549 0.000 3.974 485 A HN 0.370 nan 8.150 nan 0.000 0.548 486 P HA 0.401 nan 4.420 nan 0.000 0.267 486 P C 1.411 177.754 177.300 -1.595 0.000 1.200 486 P CA 1.856 63.504 63.100 -2.420 0.000 0.772 486 P CB 0.714 30.562 31.700 -3.087 0.000 0.855 487 G N 1.237 109.180 108.800 -1.427 0.000 2.299 487 G HA2 -0.314 3.646 3.960 0.000 0.000 0.237 487 G HA3 -0.314 3.646 3.960 0.000 0.000 0.237 487 G C 1.304 176.051 174.900 -0.256 0.000 1.027 487 G CA 0.668 45.333 45.100 -0.726 0.000 0.619 487 G HN 0.577 nan 8.290 nan 0.000 0.513 488 S N 1.064 116.614 115.700 -0.250 0.000 2.324 488 S HA 0.174 4.644 4.470 0.000 0.000 0.210 488 S C 1.457 176.044 174.600 -0.022 0.000 1.027 488 S CA 1.398 59.541 58.200 -0.095 0.000 0.945 488 S CB -0.358 62.788 63.200 -0.089 0.000 0.908 488 S HN 0.853 nan 8.310 nan 0.000 0.496 489 D N 2.115 122.515 120.400 -0.000 0.000 2.252 489 D HA 0.158 4.798 4.640 0.000 0.000 0.289 489 D C 1.066 177.418 176.300 0.088 0.000 1.161 489 D CA 0.620 54.658 54.000 0.063 0.000 1.060 489 D CB -0.282 40.573 40.800 0.091 0.000 1.143 489 D HN 0.518 nan 8.370 nan 0.000 0.519 490 S N -2.643 113.132 115.700 0.124 0.000 2.780 490 S HA 0.460 4.930 4.470 0.000 0.000 0.248 490 S C 1.360 175.963 174.600 0.006 0.000 1.036 490 S CA 0.112 58.397 58.200 0.143 0.000 1.061 490 S CB 0.233 63.572 63.200 0.232 0.000 1.037 490 S HN 0.604 nan 8.310 nan 0.000 0.584 491 A N 0.672 123.364 122.820 -0.213 0.000 2.067 491 A HA 0.305 4.626 4.320 0.000 0.000 0.217 491 A C 0.274 177.342 177.584 -0.859 0.000 1.156 491 A CA 0.152 51.595 52.037 -0.989 0.000 0.683 491 A CB -0.441 17.996 19.000 -0.939 0.000 0.808 491 A HN 0.668 nan 8.150 nan 0.000 0.455 492 W N -1.207 119.886 121.300 -0.344 0.000 2.496 492 W HA 0.590 5.250 4.660 0.000 0.000 0.327 492 W C -0.505 176.038 176.519 0.039 0.000 1.086 492 W CA -0.834 56.400 57.345 -0.186 0.000 1.222 492 W CB 1.131 30.441 29.460 -0.249 0.000 1.304 492 W HN 0.054 nan 8.180 nan 0.000 0.547 493 L N 3.765 125.184 121.223 0.327 0.000 2.313 493 L HA 0.415 4.755 4.340 0.000 0.000 0.283 493 L C -0.015 176.932 176.870 0.128 0.000 1.013 493 L CA -1.098 53.858 54.840 0.192 0.000 0.816 493 L CB 1.058 43.150 42.059 0.055 0.000 1.236 493 L HN 0.352 nan 8.230 nan 0.000 0.419 494 K N 4.067 124.379 120.400 -0.146 0.000 2.363 494 K HA 0.235 4.555 4.320 0.000 0.000 0.289 494 K C 0.489 176.852 176.600 -0.395 0.000 1.063 494 K CA 0.204 56.089 56.287 -0.670 0.000 0.967 494 K CB 0.525 32.423 32.500 -1.005 0.000 0.987 494 K HN 0.689 nan 8.250 nan 0.000 0.473 495 V N 0.884 120.618 119.914 -0.301 0.000 3.645 495 V HA 0.432 4.552 4.120 0.000 0.000 0.275 495 V C 0.574 176.573 176.094 -0.158 0.000 1.356 495 V CA 0.359 62.547 62.300 -0.186 0.000 1.051 495 V CB 0.407 32.170 31.823 -0.101 0.000 0.828 495 V HN 0.698 nan 8.190 nan 0.000 0.441 496 G N -0.107 108.594 108.800 -0.166 0.000 2.649 496 G HA2 0.651 4.612 3.960 0.000 0.000 0.290 496 G HA3 0.651 4.612 3.960 0.000 0.000 0.290 496 G C -1.590 173.270 174.900 -0.067 0.000 1.426 496 G CA -1.188 43.852 45.100 -0.100 0.000 0.794 496 G HN 0.174 nan 8.290 nan 0.000 0.483 497 R N -0.636 119.808 120.500 -0.093 0.000 2.604 497 R HA 0.631 4.971 4.340 0.000 0.000 0.287 497 R C -0.516 175.681 176.300 -0.173 0.000 0.970 497 R CA -0.709 55.272 56.100 -0.198 0.000 0.946 497 R CB 2.404 32.584 30.300 -0.200 0.000 1.127 497 R HN 0.297 nan 8.270 nan 0.000 0.473 498 V N 2.400 122.182 119.914 -0.220 0.000 2.607 498 V HA 0.317 4.437 4.120 0.000 0.000 0.289 498 V C 0.715 176.732 176.094 -0.129 0.000 1.053 498 V CA -0.337 61.880 62.300 -0.138 0.000 0.996 498 V CB 1.388 33.137 31.823 -0.122 0.000 0.995 498 V HN 0.953 nan 8.190 nan 0.000 0.476 499 A N 0.000 122.769 122.820 -0.085 0.000 2.254 499 A HA 0.000 4.320 4.320 0.000 0.000 0.244 499 A CA 0.000 51.994 52.037 -0.072 0.000 0.836 499 A CB 0.000 18.970 19.000 -0.050 0.000 0.831 499 A HN 0.000 nan 8.150 nan 0.000 0.486