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 1w1y_1_B DATA FIRST_RESID 3 DATA SEQUENCE TRKAVIGYYF IPTNQINNYT ETDTSVVPFP VSNITPAKAK QLTHINFSFL DATA SEQUENCE DINSNLECAW DPATNDAKAR DVVNRLTALK AHNPSLRIMF SIGGWYYSND DATA SEQUENCE LGVSHANYVN AVKTPASRAK FAQSCVRIMK DYGFDGVDID WEYPQAAEVD DATA SEQUENCE GFIAALQEIR TLLNQQTITD GRQALPYQLT IAGAGGAFFL SRYYSKLAQI DATA SEQUENCE VAPLDYINLM TYDLAGPWEK VTNHQAALFG DAAGPTFYNA LREANLGWSW DATA SEQUENCE EELTRAFPSP FSLTVDAAVQ QHLMMEGVPS AKIVMGVPFY GRAFKGVSGG DATA SEQUENCE NGGQYSSHST PGEDPYPSTD YWLVGCEECV RDKDPRIASY RQLEQMLQGN DATA SEQUENCE YGYQRLWNDK TKTPYLYHAQ NGLFVTYDDA ESFKYKAKYI KQQQLGGVMF DATA SEQUENCE WHLGQDNRNG DLLAALDRYF NAADYDDSQL DMGTGLRYTG VGPGNLPIMT DATA SEQUENCE APAYVPGTTY AQGALVSYQG YVWQTKWGYI TSAPGSDSAW LKVGRVA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.709 174.700 0.015 0.000 1.109 3 T CA 0.000 62.115 62.100 0.026 0.000 1.349 3 T CB 0.000 68.886 68.868 0.030 0.000 0.612 4 R N 2.301 122.816 120.500 0.024 0.000 2.570 4 R HA 0.164 4.504 4.340 0.000 0.000 0.277 4 R C -0.058 176.216 176.300 -0.043 0.000 1.039 4 R CA -0.192 55.913 56.100 0.009 0.000 1.065 4 R CB 0.393 30.716 30.300 0.039 0.000 0.964 4 R HN 0.280 nan 8.270 nan 0.000 0.428 5 K N 2.593 122.889 120.400 -0.173 0.000 2.298 5 K HA 0.141 4.461 4.320 0.000 0.000 0.280 5 K C -0.229 176.234 176.600 -0.228 0.000 1.032 5 K CA -0.068 55.996 56.287 -0.372 0.000 0.958 5 K CB 1.386 33.231 32.500 -1.092 0.000 0.978 5 K HN 0.706 nan 8.250 nan 0.000 0.472 6 A N 2.067 124.755 122.820 -0.220 0.000 2.407 6 A HA 0.325 4.646 4.320 0.000 0.000 0.248 6 A C -0.275 177.260 177.584 -0.081 0.000 1.082 6 A CA -0.403 51.532 52.037 -0.169 0.000 0.785 6 A CB 0.405 19.054 19.000 -0.584 0.000 1.020 6 A HN 0.366 nan 8.150 nan 0.000 0.489 7 V N 4.292 124.245 119.914 0.064 0.000 2.439 7 V HA 0.244 4.364 4.120 0.000 0.000 0.277 7 V C -0.588 175.568 176.094 0.104 0.000 1.008 7 V CA 0.037 62.440 62.300 0.172 0.000 0.846 7 V CB 0.780 32.772 31.823 0.281 0.000 1.031 7 V HN 0.712 nan 8.190 nan 0.000 0.441 8 I N 4.206 124.747 120.570 -0.049 0.000 2.330 8 I HA 0.558 4.729 4.170 0.000 0.000 0.286 8 I C 0.883 176.680 176.117 -0.532 0.000 1.025 8 I CA -0.154 61.022 61.300 -0.207 0.000 1.197 8 I CB 1.481 39.307 38.000 -0.289 0.000 1.358 8 I HN 0.633 nan 8.210 nan 0.000 0.467 9 G N 5.346 113.745 108.800 -0.667 0.000 2.372 9 G HA2 0.474 4.434 3.960 0.000 0.000 0.323 9 G HA3 0.474 4.434 3.960 0.000 0.000 0.323 9 G C -1.126 173.424 174.900 -0.583 0.000 1.152 9 G CA -0.314 43.984 45.100 -1.336 0.000 0.906 9 G HN 0.335 nan 8.290 nan 0.000 0.460 10 Y N 0.764 120.763 120.300 -0.501 0.000 2.359 10 Y HA 0.276 4.826 4.550 0.000 0.000 0.330 10 Y C -0.200 175.624 175.900 -0.127 0.000 1.143 10 Y CA 0.219 58.203 58.100 -0.194 0.000 1.318 10 Y CB 1.234 39.639 38.460 -0.091 0.000 1.234 10 Y HN 0.526 nan 8.280 nan 0.000 0.522 11 Y N 5.843 126.128 120.300 -0.026 0.000 2.388 11 Y HA 0.372 4.922 4.550 0.000 0.000 0.328 11 Y C -1.696 174.107 175.900 -0.162 0.000 0.963 11 Y CA -1.658 56.456 58.100 0.023 0.000 1.240 11 Y CB 0.275 38.837 38.460 0.170 0.000 1.118 11 Y HN 0.496 nan 8.280 nan 0.000 0.484 12 F N 8.525 127.932 119.950 -0.904 0.000 2.427 12 F HA 0.649 5.176 4.527 0.000 0.000 0.346 12 F C -1.538 173.804 175.800 -0.764 0.000 1.120 12 F CA -1.629 55.843 58.000 -0.881 0.000 1.033 12 F CB 0.850 39.186 39.000 -1.105 0.000 1.126 12 F HN 0.462 nan 8.300 nan 0.000 0.462 13 I N 8.790 128.556 120.570 -1.340 0.000 2.534 13 I HA 0.451 4.621 4.170 0.000 0.000 0.286 13 I C -2.720 172.904 176.117 -0.822 0.000 1.094 13 I CA -2.450 58.287 61.300 -0.939 0.000 1.055 13 I CB 1.923 39.800 38.000 -0.205 0.000 1.225 13 I HN 0.416 nan 8.210 nan 0.000 0.435 14 P HA 0.151 nan 4.420 nan 0.000 0.268 14 P C 0.552 177.834 177.300 -0.032 0.000 1.208 14 P CA -0.064 62.866 63.100 -0.283 0.000 0.777 14 P CB 0.654 32.267 31.700 -0.145 0.000 0.875 15 T N 0.639 115.254 114.554 0.102 0.000 2.699 15 T HA -0.186 4.165 4.350 0.000 0.000 0.268 15 T C 1.534 176.298 174.700 0.107 0.000 1.036 15 T CA 1.843 64.036 62.100 0.155 0.000 1.147 15 T CB -0.813 68.170 68.868 0.192 0.000 0.862 15 T HN 0.632 nan 8.240 nan 0.000 0.446 16 N N 1.477 120.224 118.700 0.077 0.000 2.223 16 N HA -0.169 4.571 4.740 0.000 0.000 0.185 16 N C 1.687 177.236 175.510 0.065 0.000 1.016 16 N CA 1.210 54.298 53.050 0.063 0.000 0.863 16 N CB -0.373 38.142 38.487 0.048 0.000 0.983 16 N HN 0.499 nan 8.380 nan 0.000 0.429 17 Q N 0.156 119.991 119.800 0.059 0.000 2.187 17 Q HA 0.158 4.498 4.340 0.000 0.000 0.199 17 Q C 2.268 178.380 176.000 0.186 0.000 0.957 17 Q CA 0.706 56.563 55.803 0.088 0.000 0.857 17 Q CB 0.128 28.892 28.738 0.043 0.000 0.929 17 Q HN 0.431 nan 8.270 nan 0.000 0.453 18 I N 1.162 121.835 120.570 0.173 0.000 2.252 18 I HA -0.260 3.910 4.170 0.000 0.000 0.245 18 I C 1.536 177.740 176.117 0.144 0.000 1.102 18 I CA 0.791 62.204 61.300 0.189 0.000 1.385 18 I CB -0.234 37.867 38.000 0.168 0.000 1.064 18 I HN 0.192 nan 8.210 nan 0.000 0.414 19 N N 0.939 119.702 118.700 0.105 0.000 2.309 19 N HA -0.112 4.628 4.740 0.000 0.000 0.182 19 N C 0.812 176.370 175.510 0.079 0.000 1.018 19 N CA 1.004 54.098 53.050 0.072 0.000 0.876 19 N CB -0.234 38.288 38.487 0.058 0.000 0.972 19 N HN 0.375 nan 8.380 nan 0.000 0.434 20 N N -0.388 118.370 118.700 0.098 0.000 2.351 20 N HA -0.026 4.715 4.740 0.000 0.000 0.254 20 N C -0.711 174.854 175.510 0.091 0.000 1.241 20 N CA -0.285 52.809 53.050 0.074 0.000 0.883 20 N CB 0.354 38.867 38.487 0.043 0.000 1.202 20 N HN 0.194 nan 8.380 nan 0.000 0.512 21 Y N 2.295 122.609 120.300 0.023 0.000 2.810 21 Y HA -0.033 4.517 4.550 0.000 0.000 0.332 21 Y C 0.589 176.500 175.900 0.019 0.000 1.243 21 Y CA 0.938 59.057 58.100 0.031 0.000 1.537 21 Y CB 0.416 38.899 38.460 0.039 0.000 1.265 21 Y HN -0.094 nan 8.280 nan 0.000 0.572 22 T N 4.986 119.163 114.554 -0.628 0.000 2.942 22 T HA 0.302 4.652 4.350 0.000 0.000 0.327 22 T C -0.434 173.909 174.700 -0.595 0.000 1.360 22 T CA -0.714 61.125 62.100 -0.435 0.000 1.055 22 T CB 1.149 69.902 68.868 -0.192 0.000 1.261 22 T HN 0.749 nan 8.240 nan 0.000 0.485 23 E N 1.726 121.707 120.200 -0.365 0.000 2.501 23 E HA 0.150 4.500 4.350 0.000 0.000 0.200 23 E C 0.534 177.049 176.600 -0.141 0.000 1.016 23 E CA 0.040 56.284 56.400 -0.261 0.000 0.921 23 E CB 0.572 30.184 29.700 -0.146 0.000 1.034 23 E HN 0.725 nan 8.360 nan 0.000 0.468 24 T N -2.195 112.284 114.554 -0.124 0.000 3.337 24 T HA 0.142 4.492 4.350 0.000 0.000 0.299 24 T C -0.155 174.508 174.700 -0.061 0.000 0.998 24 T CA -0.512 61.544 62.100 -0.073 0.000 0.948 24 T CB 0.329 69.166 68.868 -0.053 0.000 1.170 24 T HN -0.161 nan 8.240 nan 0.000 0.508 25 D N 1.844 122.199 120.400 -0.076 0.000 2.381 25 D HA 0.181 4.821 4.640 0.000 0.000 0.245 25 D C 1.275 177.546 176.300 -0.047 0.000 1.297 25 D CA -0.110 53.858 54.000 -0.053 0.000 0.931 25 D CB 1.528 42.297 40.800 -0.052 0.000 1.334 25 D HN 0.205 nan 8.370 nan 0.000 0.535 26 T N -1.130 113.409 114.554 -0.025 0.000 3.025 26 T HA -0.150 4.200 4.350 0.000 0.000 0.270 26 T C 1.703 176.402 174.700 -0.002 0.000 1.126 26 T CA 1.334 63.432 62.100 -0.004 0.000 1.105 26 T CB -0.072 68.805 68.868 0.017 0.000 0.884 26 T HN 0.207 nan 8.240 nan 0.000 0.522 27 S N 0.258 115.952 115.700 -0.010 0.000 2.461 27 S HA 0.061 4.531 4.470 0.000 0.000 0.228 27 S C 1.775 176.369 174.600 -0.009 0.000 1.005 27 S CA 0.419 58.614 58.200 -0.008 0.000 0.942 27 S CB -0.405 62.790 63.200 -0.008 0.000 0.776 27 S HN 0.407 nan 8.310 nan 0.000 0.514 28 V N 0.485 120.388 119.914 -0.018 0.000 2.627 28 V HA 0.300 4.421 4.120 0.000 0.000 0.239 28 V C 0.502 176.586 176.094 -0.017 0.000 1.077 28 V CA 0.458 62.747 62.300 -0.018 0.000 1.103 28 V CB 0.313 32.117 31.823 -0.031 0.000 0.802 28 V HN 0.403 nan 8.190 nan 0.000 0.482 29 V N 1.706 121.597 119.914 -0.038 0.000 2.357 29 V HA 0.303 4.423 4.120 0.000 0.000 0.281 29 V C -1.902 174.199 176.094 0.013 0.000 1.015 29 V CA -0.960 61.327 62.300 -0.022 0.000 0.827 29 V CB 1.358 33.113 31.823 -0.113 0.000 1.018 29 V HN 0.281 nan 8.190 nan 0.000 0.432 30 P HA -0.092 nan 4.420 nan 0.000 0.216 30 P C 0.170 177.604 177.300 0.223 0.000 1.150 30 P CA 1.261 64.427 63.100 0.110 0.000 0.837 30 P CB 0.190 31.954 31.700 0.105 0.000 0.786 31 F N 0.750 120.734 119.950 0.056 0.000 2.686 31 F HA 0.404 4.931 4.527 0.000 0.000 0.365 31 F C -2.680 173.273 175.800 0.255 0.000 1.196 31 F CA -3.136 54.942 58.000 0.131 0.000 1.198 31 F CB 0.845 39.924 39.000 0.132 0.000 1.454 31 F HN -0.191 nan 8.300 nan 0.000 0.539 32 P HA 0.061 nan 4.420 nan 0.000 0.274 32 P C 0.983 178.243 177.300 -0.066 0.000 1.237 32 P CA -0.067 63.059 63.100 0.043 0.000 0.793 32 P CB 1.971 33.588 31.700 -0.139 0.000 0.977 33 V N 1.370 121.362 119.914 0.131 0.000 2.568 33 V HA -0.232 3.888 4.120 0.000 0.000 0.253 33 V C 2.586 178.610 176.094 -0.118 0.000 1.072 33 V CA 2.667 64.885 62.300 -0.136 0.000 1.084 33 V CB -1.693 30.032 31.823 -0.163 0.000 0.676 33 V HN 0.738 nan 8.190 nan 0.000 0.469 34 S N -0.079 115.588 115.700 -0.056 0.000 2.500 34 S HA -0.176 4.294 4.470 0.000 0.000 0.239 34 S C 1.486 176.028 174.600 -0.096 0.000 0.989 34 S CA 1.510 59.679 58.200 -0.050 0.000 0.951 34 S CB -0.865 62.321 63.200 -0.023 0.000 0.759 34 S HN 0.765 nan 8.310 nan 0.000 0.523 35 N N 0.667 119.227 118.700 -0.234 0.000 2.515 35 N HA 0.203 4.943 4.740 0.000 0.000 0.185 35 N C -0.294 175.182 175.510 -0.056 0.000 1.109 35 N CA 0.285 53.216 53.050 -0.199 0.000 0.903 35 N CB -0.012 38.230 38.487 -0.408 0.000 0.969 35 N HN 0.469 nan 8.380 nan 0.000 0.450 36 I N 2.411 122.944 120.570 -0.060 0.000 2.256 36 I HA 0.018 4.188 4.170 0.000 0.000 0.294 36 I C 0.818 176.973 176.117 0.063 0.000 1.127 36 I CA -0.395 60.963 61.300 0.097 0.000 1.247 36 I CB 0.125 38.195 38.000 0.116 0.000 1.460 36 I HN 0.021 nan 8.210 nan 0.000 0.511 37 T N 2.758 117.347 114.554 0.058 0.000 2.766 37 T HA 0.193 4.544 4.350 0.000 0.000 0.295 37 T C -1.697 172.972 174.700 -0.051 0.000 1.024 37 T CA -1.401 60.697 62.100 -0.003 0.000 1.018 37 T CB 0.874 69.741 68.868 -0.001 0.000 1.002 37 T HN 0.198 nan 8.240 nan 0.000 0.532 38 P HA -0.040 nan 4.420 nan 0.000 0.216 38 P C 1.659 178.879 177.300 -0.134 0.000 1.150 38 P CA 1.517 64.354 63.100 -0.437 0.000 0.837 38 P CB -0.323 30.919 31.700 -0.763 0.000 0.786 39 A N -0.013 122.762 122.820 -0.075 0.000 1.877 39 A HA -0.228 4.092 4.320 0.000 0.000 0.216 39 A C 2.095 179.702 177.584 0.038 0.000 1.186 39 A CA 1.798 53.828 52.037 -0.011 0.000 0.620 39 A CB -1.036 17.961 19.000 -0.005 0.000 0.822 39 A HN 0.134 nan 8.150 nan 0.000 0.443 40 K N -0.291 120.147 120.400 0.063 0.000 2.057 40 K HA -0.056 4.264 4.320 0.000 0.000 0.207 40 K C 2.311 178.994 176.600 0.138 0.000 1.049 40 K CA 1.101 57.462 56.287 0.123 0.000 0.931 40 K CB -0.360 32.243 32.500 0.172 0.000 0.714 40 K HN 0.433 nan 8.250 nan 0.000 0.440 41 A N 1.994 124.886 122.820 0.120 0.000 1.940 41 A HA -0.221 4.099 4.320 0.000 0.000 0.219 41 A C 1.850 179.509 177.584 0.126 0.000 1.176 41 A CA 1.655 53.777 52.037 0.141 0.000 0.631 41 A CB -0.323 18.789 19.000 0.187 0.000 0.814 41 A HN 0.223 nan 8.150 nan 0.000 0.446 42 K N -0.676 119.785 120.400 0.102 0.000 2.288 42 K HA -0.088 4.232 4.320 0.000 0.000 0.201 42 K C 1.924 178.581 176.600 0.094 0.000 1.048 42 K CA 1.256 57.597 56.287 0.091 0.000 0.956 42 K CB -0.087 32.453 32.500 0.068 0.000 0.746 42 K HN 0.615 nan 8.250 nan 0.000 0.461 43 Q N 0.204 120.068 119.800 0.106 0.000 2.451 43 Q HA 0.097 4.438 4.340 0.000 0.000 0.206 43 Q C -0.036 176.062 176.000 0.163 0.000 0.947 43 Q CA 0.248 56.122 55.803 0.118 0.000 0.937 43 Q CB 0.255 29.055 28.738 0.103 0.000 1.025 43 Q HN 0.201 nan 8.270 nan 0.000 0.511 44 L N -0.217 121.105 121.223 0.164 0.000 2.334 44 L HA 0.239 4.580 4.340 0.000 0.000 0.275 44 L C 1.166 178.114 176.870 0.131 0.000 1.036 44 L CA -0.244 54.702 54.840 0.176 0.000 0.807 44 L CB 1.608 43.773 42.059 0.176 0.000 1.231 44 L HN 0.054 nan 8.230 nan 0.000 0.438 45 T N -3.386 111.257 114.554 0.149 0.000 3.000 45 T HA 0.222 4.572 4.350 0.000 0.000 0.248 45 T C 0.232 174.911 174.700 -0.035 0.000 1.034 45 T CA 0.164 62.318 62.100 0.089 0.000 1.060 45 T CB 0.070 69.050 68.868 0.187 0.000 0.983 45 T HN 0.529 nan 8.240 nan 0.000 0.482 46 H N -0.465 118.613 119.070 0.012 0.000 2.974 46 H HA 0.670 5.226 4.556 0.000 0.000 0.366 46 H C -1.339 173.963 175.328 -0.043 0.000 1.155 46 H CA -0.955 55.091 56.048 -0.002 0.000 1.186 46 H CB 1.573 31.314 29.762 -0.035 0.000 1.799 46 H HN 0.151 nan 8.280 nan 0.000 0.541 47 I N 2.259 122.898 120.570 0.115 0.000 2.389 47 I HA 0.233 4.403 4.170 0.000 0.000 0.288 47 I C -0.509 175.625 176.117 0.029 0.000 0.999 47 I CA -0.828 60.504 61.300 0.054 0.000 1.129 47 I CB 1.272 39.352 38.000 0.132 0.000 1.288 47 I HN 0.481 nan 8.210 nan 0.000 0.444 48 N N 6.422 125.006 118.700 -0.195 0.000 2.437 48 N HA 0.202 4.942 4.740 0.000 0.000 0.243 48 N C -0.656 174.797 175.510 -0.095 0.000 1.041 48 N CA -0.247 52.623 53.050 -0.300 0.000 0.940 48 N CB 0.572 38.463 38.487 -0.993 0.000 1.133 48 N HN 0.381 nan 8.380 nan 0.000 0.506 49 F N 2.426 122.391 119.950 0.025 0.000 2.495 49 F HA 0.313 4.840 4.527 0.000 0.000 0.365 49 F C 0.358 176.185 175.800 0.046 0.000 1.090 49 F CA -0.342 57.757 58.000 0.166 0.000 1.235 49 F CB 0.452 39.650 39.000 0.329 0.000 1.119 49 F HN 0.369 nan 8.300 nan 0.000 0.562 50 S N 5.088 120.283 115.700 -0.842 0.000 2.546 50 S HA 0.764 5.235 4.470 0.000 0.000 0.274 50 S C -1.354 172.922 174.600 -0.540 0.000 1.121 50 S CA -0.797 56.974 58.200 -0.715 0.000 0.887 50 S CB 1.558 64.072 63.200 -1.143 0.000 1.094 50 S HN 0.493 nan 8.310 nan 0.000 0.474 51 F N 0.591 120.630 119.950 0.147 0.000 2.563 51 F HA 0.724 5.251 4.527 0.000 0.000 0.316 51 F C -0.349 175.594 175.800 0.238 0.000 1.076 51 F CA -0.897 57.252 58.000 0.249 0.000 0.921 51 F CB 1.554 40.785 39.000 0.384 0.000 1.209 51 F HN 0.505 nan 8.300 nan 0.000 0.462 52 L N 1.042 122.488 121.223 0.371 0.000 2.397 52 L HA 0.601 4.941 4.340 0.000 0.000 0.266 52 L C -0.483 176.503 176.870 0.192 0.000 1.040 52 L CA -0.186 54.711 54.840 0.095 0.000 0.800 52 L CB 1.188 43.166 42.059 -0.135 0.000 1.324 52 L HN 0.643 nan 8.230 nan 0.000 0.469 53 D N -1.454 118.932 120.400 -0.024 0.000 2.798 53 D HA 0.505 5.145 4.640 0.000 0.000 0.308 53 D C -1.497 174.692 176.300 -0.185 0.000 1.187 53 D CA -0.369 53.522 54.000 -0.182 0.000 1.033 53 D CB 1.291 41.655 40.800 -0.726 0.000 1.445 53 D HN 0.254 nan 8.370 nan 0.000 0.550 54 I N 2.245 122.577 120.570 -0.397 0.000 2.389 54 I HA 0.310 4.480 4.170 0.000 0.000 0.288 54 I C -0.043 175.855 176.117 -0.365 0.000 0.999 54 I CA -0.876 60.136 61.300 -0.479 0.000 1.129 54 I CB 1.305 38.666 38.000 -1.065 0.000 1.288 54 I HN 0.340 nan 8.210 nan 0.000 0.444 55 N N 3.462 122.033 118.700 -0.216 0.000 2.418 55 N HA 0.109 4.849 4.740 0.000 0.000 0.283 55 N C 0.932 176.349 175.510 -0.156 0.000 1.267 55 N CA -0.482 52.473 53.050 -0.158 0.000 0.975 55 N CB 0.239 38.679 38.487 -0.079 0.000 1.167 55 N HN 0.520 nan 8.380 nan 0.000 0.581 56 S N -1.935 113.701 115.700 -0.107 0.000 2.474 56 S HA -0.160 4.310 4.470 0.000 0.000 0.235 56 S C 1.099 175.650 174.600 -0.081 0.000 0.997 56 S CA 0.758 58.901 58.200 -0.095 0.000 0.949 56 S CB -0.826 62.336 63.200 -0.063 0.000 0.766 56 S HN 0.731 nan 8.310 nan 0.000 0.517 57 N N 1.276 119.937 118.700 -0.064 0.000 2.461 57 N HA 0.122 4.863 4.740 0.000 0.000 0.188 57 N C -0.176 175.304 175.510 -0.050 0.000 1.134 57 N CA 0.292 53.317 53.050 -0.043 0.000 0.878 57 N CB -0.234 38.242 38.487 -0.017 0.000 0.972 57 N HN 0.421 nan 8.380 nan 0.000 0.456 58 L N 0.243 121.407 121.223 -0.100 0.000 3.717 58 L HA -0.221 4.119 4.340 0.000 0.000 0.411 58 L C -1.023 175.836 176.870 -0.018 0.000 1.233 58 L CA 0.768 55.526 54.840 -0.135 0.000 0.917 58 L CB -1.863 40.124 42.059 -0.120 0.000 1.902 58 L HN 0.297 nan 8.230 nan 0.000 0.894 59 E N -0.561 119.649 120.200 0.017 0.000 2.288 59 E HA 0.377 4.727 4.350 0.000 0.000 0.268 59 E C -0.353 176.326 176.600 0.133 0.000 0.885 59 E CA -0.806 55.679 56.400 0.141 0.000 0.767 59 E CB 2.718 32.461 29.700 0.072 0.000 1.220 59 E HN 0.283 nan 8.360 nan 0.000 0.427 60 C N 2.343 121.781 119.300 0.232 0.000 2.634 60 C HA 0.579 5.039 4.460 0.000 0.000 0.418 60 C C 0.060 175.083 174.990 0.055 0.000 1.373 60 C CA 0.186 59.307 59.018 0.173 0.000 1.756 60 C CB -1.661 26.165 27.740 0.143 0.000 2.589 60 C HN 0.656 nan 8.230 nan 0.000 0.602 61 A N 5.276 128.097 122.820 0.001 0.000 2.604 61 A HA 0.674 4.995 4.320 0.000 0.000 0.295 61 A C -1.369 176.213 177.584 -0.003 0.000 1.067 61 A CA -0.663 51.386 52.037 0.021 0.000 0.683 61 A CB 0.262 19.295 19.000 0.054 0.000 1.281 61 A HN 0.934 nan 8.150 nan 0.000 0.407 62 W N 0.930 122.226 121.300 -0.006 0.000 2.161 62 W HA 0.383 5.043 4.660 0.000 0.000 0.344 62 W C 0.659 177.204 176.519 0.044 0.000 1.262 62 W CA 0.844 58.207 57.345 0.031 0.000 1.270 62 W CB 0.501 29.956 29.460 -0.009 0.000 1.126 62 W HN 0.727 nan 8.180 nan 0.000 0.598 63 D N 2.494 123.117 120.400 0.371 0.000 2.531 63 D HA -0.049 4.591 4.640 0.000 0.000 0.239 63 D C -1.380 175.053 176.300 0.221 0.000 1.144 63 D CA -1.057 53.097 54.000 0.258 0.000 0.869 63 D CB 1.172 42.176 40.800 0.340 0.000 1.160 63 D HN -0.012 nan 8.370 nan 0.000 0.484 64 P HA -0.121 nan 4.420 nan 0.000 0.218 64 P C 0.648 178.004 177.300 0.093 0.000 1.146 64 P CA 1.559 64.722 63.100 0.105 0.000 0.813 64 P CB 0.121 31.863 31.700 0.071 0.000 0.778 65 A N -1.700 121.185 122.820 0.107 0.000 2.238 65 A HA 0.059 4.380 4.320 0.000 0.000 0.208 65 A C 0.883 178.516 177.584 0.082 0.000 1.177 65 A CA 0.503 52.593 52.037 0.087 0.000 0.804 65 A CB -1.156 17.901 19.000 0.094 0.000 0.823 65 A HN 0.119 nan 8.150 nan 0.000 0.482 66 T N 1.885 116.498 114.554 0.099 0.000 2.870 66 T HA 0.072 4.423 4.350 0.000 0.000 0.300 66 T C 0.292 174.974 174.700 -0.031 0.000 0.989 66 T CA -0.341 61.791 62.100 0.053 0.000 1.139 66 T CB 0.337 69.244 68.868 0.066 0.000 0.920 66 T HN 0.408 nan 8.240 nan 0.000 0.537 67 N N 2.502 121.174 118.700 -0.046 0.000 2.405 67 N HA -0.018 4.723 4.740 0.000 0.000 0.260 67 N C 0.740 176.157 175.510 -0.155 0.000 1.152 67 N CA -0.105 52.905 53.050 -0.067 0.000 0.948 67 N CB 1.034 39.499 38.487 -0.037 0.000 1.111 67 N HN 0.638 nan 8.380 nan 0.000 0.485 68 D N 3.873 124.173 120.400 -0.166 0.000 2.123 68 D HA -0.130 4.510 4.640 0.000 0.000 0.196 68 D C 1.673 177.850 176.300 -0.205 0.000 0.992 68 D CA 1.786 55.642 54.000 -0.240 0.000 0.833 68 D CB 0.239 40.956 40.800 -0.138 0.000 0.954 68 D HN 0.655 nan 8.370 nan 0.000 0.455 69 A N 0.414 123.152 122.820 -0.137 0.000 1.902 69 A HA -0.182 4.138 4.320 0.000 0.000 0.217 69 A C 2.113 179.618 177.584 -0.132 0.000 1.181 69 A CA 1.377 53.342 52.037 -0.120 0.000 0.623 69 A CB -0.405 18.545 19.000 -0.082 0.000 0.818 69 A HN 0.082 nan 8.150 nan 0.000 0.443 70 K N -0.057 120.271 120.400 -0.120 0.000 2.097 70 K HA -0.019 4.301 4.320 0.000 0.000 0.205 70 K C 2.258 178.746 176.600 -0.188 0.000 1.050 70 K CA 1.264 57.486 56.287 -0.107 0.000 0.938 70 K CB -0.811 31.666 32.500 -0.039 0.000 0.718 70 K HN 0.456 nan 8.250 nan 0.000 0.442 71 A N 1.763 124.413 122.820 -0.284 0.000 1.877 71 A HA -0.185 4.135 4.320 0.000 0.000 0.216 71 A C 2.273 179.644 177.584 -0.355 0.000 1.186 71 A CA 1.446 53.201 52.037 -0.470 0.000 0.620 71 A CB -0.419 17.893 19.000 -1.147 0.000 0.822 71 A HN 0.257 nan 8.150 nan 0.000 0.443 72 R N -0.669 119.685 120.500 -0.243 0.000 2.081 72 R HA -0.173 4.167 4.340 0.000 0.000 0.235 72 R C 2.065 178.252 176.300 -0.188 0.000 1.131 72 R CA 1.716 57.731 56.100 -0.141 0.000 0.960 72 R CB -0.487 29.726 30.300 -0.145 0.000 0.856 72 R HN 0.734 nan 8.270 nan 0.000 0.436 73 D N 0.023 120.310 120.400 -0.189 0.000 2.117 73 D HA -0.136 4.505 4.640 0.000 0.000 0.197 73 D C 1.739 177.876 176.300 -0.270 0.000 0.987 73 D CA 1.076 54.963 54.000 -0.188 0.000 0.829 73 D CB 0.180 40.895 40.800 -0.143 0.000 0.961 73 D HN -0.050 nan 8.370 nan 0.000 0.460 74 V N -0.147 119.553 119.914 -0.357 0.000 2.343 74 V HA -0.208 3.912 4.120 0.000 0.000 0.247 74 V C 2.561 178.475 176.094 -0.300 0.000 1.051 74 V CA 1.304 63.341 62.300 -0.439 0.000 1.036 74 V CB -0.333 31.284 31.823 -0.344 0.000 0.654 74 V HN 0.200 nan 8.190 nan 0.000 0.451 75 V N 0.666 120.393 119.914 -0.312 0.000 2.407 75 V HA -0.231 3.889 4.120 0.000 0.000 0.248 75 V C 2.334 178.259 176.094 -0.282 0.000 1.055 75 V CA 2.020 64.098 62.300 -0.370 0.000 1.049 75 V CB -0.883 30.639 31.823 -0.502 0.000 0.662 75 V HN 0.573 nan 8.190 nan 0.000 0.455 76 N N 0.472 119.029 118.700 -0.238 0.000 2.104 76 N HA -0.164 4.576 4.740 0.000 0.000 0.190 76 N C 1.955 177.374 175.510 -0.151 0.000 1.024 76 N CA 1.400 54.339 53.050 -0.184 0.000 0.853 76 N CB -0.386 38.008 38.487 -0.155 0.000 1.008 76 N HN 0.483 nan 8.380 nan 0.000 0.424 77 R N 0.396 120.801 120.500 -0.159 0.000 2.096 77 R HA 0.011 4.351 4.340 0.000 0.000 0.235 77 R C 2.233 178.464 176.300 -0.115 0.000 1.127 77 R CA 0.792 56.819 56.100 -0.121 0.000 0.968 77 R CB -0.306 29.919 30.300 -0.125 0.000 0.861 77 R HN 0.221 nan 8.270 nan 0.000 0.440 78 L N -0.097 121.040 121.223 -0.144 0.000 2.044 78 L HA -0.127 4.213 4.340 0.000 0.000 0.205 78 L C 2.643 179.477 176.870 -0.060 0.000 1.075 78 L CA 1.635 56.415 54.840 -0.100 0.000 0.747 78 L CB -0.756 41.261 42.059 -0.071 0.000 0.903 78 L HN 0.356 nan 8.230 nan 0.000 0.435 79 T N -2.556 111.945 114.554 -0.089 0.000 2.915 79 T HA -0.090 4.260 4.350 0.000 0.000 0.269 79 T C 1.864 176.518 174.700 -0.077 0.000 1.071 79 T CA 0.832 62.889 62.100 -0.072 0.000 1.132 79 T CB -0.337 68.467 68.868 -0.105 0.000 0.878 79 T HN 0.294 nan 8.240 nan 0.000 0.479 80 A N 1.537 124.303 122.820 -0.090 0.000 2.070 80 A HA 0.221 4.541 4.320 0.000 0.000 0.220 80 A C 2.325 179.825 177.584 -0.139 0.000 1.159 80 A CA 0.851 52.824 52.037 -0.106 0.000 0.656 80 A CB -0.858 18.089 19.000 -0.089 0.000 0.800 80 A HN 0.580 nan 8.150 nan 0.000 0.453 81 L N -0.940 120.239 121.223 -0.073 0.000 2.265 81 L HA -0.161 4.179 4.340 0.000 0.000 0.215 81 L C 2.183 179.016 176.870 -0.062 0.000 1.117 81 L CA 1.184 56.013 54.840 -0.018 0.000 0.782 81 L CB -0.389 41.712 42.059 0.069 0.000 0.914 81 L HN 0.360 nan 8.230 nan 0.000 0.441 82 K N 0.328 120.684 120.400 -0.073 0.000 2.360 82 K HA -0.096 4.224 4.320 0.000 0.000 0.201 82 K C 2.144 178.680 176.600 -0.105 0.000 1.046 82 K CA 0.976 57.228 56.287 -0.058 0.000 0.945 82 K CB -0.166 32.308 32.500 -0.045 0.000 0.750 82 K HN 0.284 nan 8.250 nan 0.000 0.464 83 A N 0.572 123.258 122.820 -0.222 0.000 2.070 83 A HA -0.160 4.160 4.320 0.000 0.000 0.220 83 A C 1.246 178.688 177.584 -0.237 0.000 1.159 83 A CA 1.249 53.130 52.037 -0.260 0.000 0.656 83 A CB -0.543 18.242 19.000 -0.359 0.000 0.800 83 A HN 0.405 nan 8.150 nan 0.000 0.453 84 H N -2.140 116.933 119.070 0.005 0.000 2.575 84 H HA 0.160 4.716 4.556 0.000 0.000 0.267 84 H C 0.002 175.339 175.328 0.015 0.000 0.966 84 H CA 0.395 56.450 56.048 0.011 0.000 1.165 84 H CB 0.378 30.150 29.762 0.018 0.000 1.433 84 H HN 0.433 nan 8.280 nan 0.000 0.544 85 N N 0.176 118.928 118.700 0.088 0.000 2.699 85 N HA 0.035 4.775 4.740 0.000 0.000 0.271 85 N C -2.522 173.000 175.510 0.020 0.000 1.216 85 N CA -1.718 51.369 53.050 0.063 0.000 0.844 85 N CB 1.421 39.956 38.487 0.079 0.000 1.462 85 N HN -0.125 nan 8.380 nan 0.000 0.555 86 P HA 0.041 nan 4.420 nan 0.000 0.239 86 P C 0.283 177.573 177.300 -0.017 0.000 1.184 86 P CA 0.561 63.656 63.100 -0.009 0.000 0.760 86 P CB 0.457 32.153 31.700 -0.006 0.000 0.884 87 S N -0.839 114.854 115.700 -0.011 0.000 2.511 87 S HA 0.103 4.574 4.470 0.000 0.000 0.214 87 S C 0.710 175.269 174.600 -0.069 0.000 0.997 87 S CA -0.418 57.764 58.200 -0.030 0.000 0.908 87 S CB -0.338 62.858 63.200 -0.006 0.000 0.803 87 S HN 0.086 nan 8.310 nan 0.000 0.504 88 L N 3.416 124.613 121.223 -0.043 0.000 2.455 88 L HA 0.245 4.585 4.340 0.000 0.000 0.272 88 L C 0.022 176.846 176.870 -0.077 0.000 1.174 88 L CA 0.583 55.389 54.840 -0.055 0.000 0.869 88 L CB 0.193 42.257 42.059 0.007 0.000 1.130 88 L HN 0.016 nan 8.230 nan 0.000 0.474 89 R N 5.626 126.047 120.500 -0.132 0.000 2.562 89 R HA 0.537 4.878 4.340 0.000 0.000 0.298 89 R C -1.131 175.216 176.300 0.078 0.000 0.961 89 R CA -0.971 55.100 56.100 -0.047 0.000 0.881 89 R CB 1.656 31.879 30.300 -0.128 0.000 1.159 89 R HN 0.485 nan 8.270 nan 0.000 0.450 90 I N 4.784 125.456 120.570 0.169 0.000 2.307 90 I HA 0.234 4.404 4.170 0.000 0.000 0.287 90 I C 0.265 176.630 176.117 0.413 0.000 1.054 90 I CA -0.317 61.146 61.300 0.270 0.000 1.218 90 I CB 0.696 38.854 38.000 0.263 0.000 1.398 90 I HN 0.500 nan 8.210 nan 0.000 0.475 91 M N 6.278 126.057 119.600 0.298 0.000 2.267 91 M HA 0.448 4.928 4.480 0.000 0.000 0.303 91 M C -0.281 176.090 176.300 0.118 0.000 1.164 91 M CA -0.419 55.005 55.300 0.207 0.000 1.060 91 M CB 1.073 33.718 32.600 0.075 0.000 1.455 91 M HN 0.377 nan 8.290 nan 0.000 0.483 92 F N -1.268 118.483 119.950 -0.332 0.000 2.551 92 F HA 0.741 5.268 4.527 0.000 0.000 0.316 92 F C -0.709 174.967 175.800 -0.207 0.000 1.089 92 F CA -0.966 56.715 58.000 -0.531 0.000 0.915 92 F CB 1.011 39.111 39.000 -1.500 0.000 1.186 92 F HN 0.394 nan 8.300 nan 0.000 0.456 93 S N 3.960 119.638 115.700 -0.037 0.000 2.451 93 S HA 0.669 5.140 4.470 0.000 0.000 0.301 93 S C -0.413 174.375 174.600 0.313 0.000 1.116 93 S CA -0.612 57.645 58.200 0.095 0.000 1.093 93 S CB 1.049 64.449 63.200 0.332 0.000 1.017 93 S HN 0.573 nan 8.310 nan 0.000 0.482 94 I N 2.884 123.607 120.570 0.256 0.000 2.354 94 I HA 0.606 4.777 4.170 0.000 0.000 0.292 94 I C 0.996 177.343 176.117 0.384 0.000 0.989 94 I CA -0.023 61.482 61.300 0.342 0.000 1.188 94 I CB 1.000 39.170 38.000 0.283 0.000 1.342 94 I HN 0.919 nan 8.210 nan 0.000 0.457 95 G N 4.449 113.467 108.800 0.363 0.000 3.035 95 G HA2 0.215 4.175 3.960 0.000 0.000 0.242 95 G HA3 0.215 4.175 3.960 0.000 0.000 0.242 95 G C 0.196 174.789 174.900 -0.512 0.000 1.524 95 G CA 0.029 45.167 45.100 0.063 0.000 1.038 95 G HN 1.635 nan 8.290 nan 0.000 0.561 96 G N -1.933 106.480 108.800 -0.645 0.000 2.707 96 G HA2 0.069 4.029 3.960 0.000 0.000 0.686 96 G HA3 0.069 4.029 3.960 0.000 0.000 0.686 96 G C 0.739 175.198 174.900 -0.736 0.000 1.315 96 G CA 0.550 45.022 45.100 -1.046 0.000 0.832 96 G HN 1.983 nan 8.290 nan 0.000 0.573 97 W N 0.147 120.937 121.300 -0.850 0.000 2.317 97 W HA -0.216 4.444 4.660 0.000 0.000 0.318 97 W C 2.147 178.186 176.519 -0.800 0.000 1.227 97 W CA 2.494 59.334 57.345 -0.841 0.000 1.269 97 W CB -0.324 28.560 29.460 -0.959 0.000 1.155 97 W HN 0.662 nan 8.180 nan 0.000 0.484 98 Y N -0.885 119.109 120.300 -0.509 0.000 2.224 98 Y HA -0.286 4.264 4.550 0.000 0.000 0.289 98 Y C 2.442 178.076 175.900 -0.443 0.000 1.146 98 Y CA 2.024 59.819 58.100 -0.507 0.000 1.182 98 Y CB -1.151 37.085 38.460 -0.374 0.000 0.983 98 Y HN -0.095 nan 8.280 nan 0.000 0.524 99 Y N -0.767 119.331 120.300 -0.337 0.000 2.263 99 Y HA -0.147 4.403 4.550 0.000 0.000 0.292 99 Y C 2.539 178.160 175.900 -0.466 0.000 1.130 99 Y CA 0.952 58.875 58.100 -0.294 0.000 1.179 99 Y CB -0.704 37.623 38.460 -0.222 0.000 0.998 99 Y HN 0.125 nan 8.280 nan 0.000 0.532 100 S N -0.496 114.868 115.700 -0.560 0.000 2.559 100 S HA 0.103 4.573 4.470 0.000 0.000 0.226 100 S C 0.313 174.532 174.600 -0.635 0.000 1.000 100 S CA -0.416 57.292 58.200 -0.821 0.000 0.948 100 S CB -1.120 61.311 63.200 -1.281 0.000 0.870 100 S HN 0.472 nan 8.310 nan 0.000 0.497 101 N N 1.669 119.838 118.700 -0.886 0.000 2.371 101 N HA 0.099 4.839 4.740 0.000 0.000 0.243 101 N C 0.233 175.287 175.510 -0.759 0.000 1.287 101 N CA 0.028 52.440 53.050 -1.064 0.000 0.911 101 N CB 0.152 37.383 38.487 -2.094 0.000 1.142 101 N HN -0.186 nan 8.380 nan 0.000 0.451 102 D N -0.057 119.902 120.400 -0.735 0.000 2.172 102 D HA -0.148 4.493 4.640 0.000 0.000 0.196 102 D C 1.075 177.013 176.300 -0.604 0.000 0.999 102 D CA 1.409 54.861 54.000 -0.913 0.000 0.856 102 D CB -0.128 40.395 40.800 -0.462 0.000 0.934 102 D HN 0.534 nan 8.370 nan 0.000 0.453 103 L N -0.218 120.752 121.223 -0.421 0.000 2.653 103 L HA 0.295 4.635 4.340 0.000 0.000 0.231 103 L C 1.228 177.962 176.870 -0.226 0.000 1.153 103 L CA -0.506 54.182 54.840 -0.252 0.000 0.933 103 L CB 0.235 42.189 42.059 -0.175 0.000 1.175 103 L HN -0.110 nan 8.230 nan 0.000 0.473 104 G N -0.430 108.188 108.800 -0.303 0.000 2.503 104 G HA2 0.235 4.195 3.960 0.000 0.000 0.257 104 G HA3 0.235 4.195 3.960 0.000 0.000 0.257 104 G C 0.899 175.753 174.900 -0.077 0.000 1.214 104 G CA -0.391 44.577 45.100 -0.220 0.000 0.839 104 G HN -0.107 nan 8.290 nan 0.000 0.559 105 V N 1.122 121.031 119.914 -0.007 0.000 2.469 105 V HA -0.125 3.995 4.120 0.000 0.000 0.251 105 V C 2.214 178.317 176.094 0.015 0.000 1.064 105 V CA 2.684 64.998 62.300 0.024 0.000 1.066 105 V CB -0.066 31.798 31.823 0.069 0.000 0.667 105 V HN 0.597 nan 8.190 nan 0.000 0.461 106 S N -1.557 114.158 115.700 0.024 0.000 2.557 106 S HA 0.110 4.581 4.470 0.000 0.000 0.223 106 S C 1.484 176.096 174.600 0.019 0.000 0.969 106 S CA 0.058 58.259 58.200 0.001 0.000 0.927 106 S CB -0.328 62.871 63.200 -0.002 0.000 0.806 106 S HN 0.810 nan 8.310 nan 0.000 0.489 107 H N 2.404 121.390 119.070 -0.139 0.000 2.357 107 H HA -0.184 4.372 4.556 0.000 0.000 0.296 107 H C 2.168 177.399 175.328 -0.162 0.000 1.108 107 H CA 1.820 57.738 56.048 -0.217 0.000 1.273 107 H CB -0.140 29.483 29.762 -0.232 0.000 1.367 107 H HN 0.461 nan 8.280 nan 0.000 0.498 108 A N 1.262 123.969 122.820 -0.189 0.000 1.940 108 A HA -0.227 4.094 4.320 0.000 0.000 0.219 108 A C 2.226 179.629 177.584 -0.302 0.000 1.176 108 A CA 1.710 53.612 52.037 -0.226 0.000 0.631 108 A CB -0.401 18.539 19.000 -0.100 0.000 0.814 108 A HN 0.559 nan 8.150 nan 0.000 0.446 109 N N -1.101 117.424 118.700 -0.293 0.000 2.223 109 N HA -0.145 4.595 4.740 0.000 0.000 0.185 109 N C 1.417 176.535 175.510 -0.654 0.000 1.016 109 N CA 1.564 54.371 53.050 -0.405 0.000 0.863 109 N CB -0.581 37.665 38.487 -0.402 0.000 0.983 109 N HN 0.666 nan 8.380 nan 0.000 0.429 110 Y N 0.914 120.723 120.300 -0.819 0.000 2.184 110 Y HA -0.027 4.523 4.550 0.000 0.000 0.290 110 Y C 2.507 177.766 175.900 -1.068 0.000 1.129 110 Y CA 0.476 57.844 58.100 -1.221 0.000 1.144 110 Y CB -0.718 36.513 38.460 -2.049 0.000 0.995 110 Y HN -0.196 nan 8.280 nan 0.000 0.513 111 V N 0.541 120.029 119.914 -0.710 0.000 2.295 111 V HA -0.334 3.787 4.120 0.000 0.000 0.246 111 V C 1.580 177.577 176.094 -0.163 0.000 1.049 111 V CA 2.427 64.572 62.300 -0.258 0.000 1.024 111 V CB -0.768 30.922 31.823 -0.223 0.000 0.648 111 V HN 0.485 nan 8.190 nan 0.000 0.447 112 N N 0.194 118.756 118.700 -0.230 0.000 2.216 112 N HA -0.037 4.703 4.740 0.000 0.000 0.183 112 N C 1.879 177.289 175.510 -0.167 0.000 1.017 112 N CA 1.010 53.966 53.050 -0.157 0.000 0.861 112 N CB -0.321 38.076 38.487 -0.150 0.000 0.986 112 N HN 0.460 nan 8.380 nan 0.000 0.428 113 A N 0.872 123.515 122.820 -0.295 0.000 2.024 113 A HA -0.102 4.218 4.320 0.000 0.000 0.220 113 A C 2.103 179.596 177.584 -0.152 0.000 1.164 113 A CA 1.476 53.331 52.037 -0.303 0.000 0.643 113 A CB -0.624 17.973 19.000 -0.672 0.000 0.806 113 A HN 0.265 nan 8.150 nan 0.000 0.451 114 V N -3.646 116.218 119.914 -0.084 0.000 3.647 114 V HA 0.165 4.285 4.120 0.000 0.000 0.279 114 V C 1.486 177.632 176.094 0.086 0.000 1.314 114 V CA 0.894 63.240 62.300 0.077 0.000 1.125 114 V CB -0.420 31.557 31.823 0.255 0.000 0.907 114 V HN 0.411 nan 8.190 nan 0.000 0.434 115 K N 1.896 122.320 120.400 0.041 0.000 2.057 115 K HA 0.004 4.325 4.320 0.000 0.000 0.207 115 K C 1.165 177.790 176.600 0.042 0.000 1.049 115 K CA 1.778 58.090 56.287 0.042 0.000 0.931 115 K CB -0.142 32.367 32.500 0.016 0.000 0.714 115 K HN 0.785 nan 8.250 nan 0.000 0.440 116 T N -3.497 111.078 114.554 0.036 0.000 2.907 116 T HA 0.266 4.617 4.350 0.000 0.000 0.290 116 T C -2.487 172.236 174.700 0.039 0.000 1.066 116 T CA -2.103 60.017 62.100 0.034 0.000 1.012 116 T CB 1.960 70.842 68.868 0.023 0.000 1.184 116 T HN -0.309 nan 8.240 nan 0.000 0.522 117 P HA -0.014 nan 4.420 nan 0.000 0.215 117 P C 1.623 178.943 177.300 0.034 0.000 1.153 117 P CA 1.688 64.808 63.100 0.033 0.000 0.853 117 P CB -0.251 31.464 31.700 0.025 0.000 0.788 118 A N -0.028 122.809 122.820 0.028 0.000 1.873 118 A HA -0.183 4.137 4.320 0.000 0.000 0.215 118 A C 2.407 180.012 177.584 0.035 0.000 1.186 118 A CA 2.378 54.431 52.037 0.026 0.000 0.616 118 A CB -1.648 17.363 19.000 0.018 0.000 0.823 118 A HN 0.325 nan 8.150 nan 0.000 0.442 119 S N -0.084 115.636 115.700 0.035 0.000 2.382 119 S HA -0.178 4.292 4.470 0.000 0.000 0.228 119 S C 2.018 176.672 174.600 0.091 0.000 1.027 119 S CA 1.234 59.459 58.200 0.041 0.000 0.991 119 S CB -0.479 62.728 63.200 0.011 0.000 0.823 119 S HN 0.592 nan 8.310 nan 0.000 0.469 120 R N 1.356 121.913 120.500 0.095 0.000 2.092 120 R HA 0.123 4.463 4.340 0.000 0.000 0.231 120 R C 2.786 179.159 176.300 0.122 0.000 1.119 120 R CA 1.193 57.381 56.100 0.148 0.000 0.970 120 R CB -0.753 29.615 30.300 0.114 0.000 0.864 120 R HN 0.581 nan 8.270 nan 0.000 0.440 121 A N 1.573 124.435 122.820 0.069 0.000 1.902 121 A HA -0.211 4.109 4.320 0.000 0.000 0.217 121 A C 2.077 179.681 177.584 0.033 0.000 1.181 121 A CA 1.499 53.558 52.037 0.036 0.000 0.623 121 A CB -0.357 18.657 19.000 0.024 0.000 0.818 121 A HN 0.224 nan 8.150 nan 0.000 0.443 122 K N -1.585 118.848 120.400 0.056 0.000 2.057 122 K HA -0.163 4.158 4.320 0.000 0.000 0.207 122 K C 1.823 178.471 176.600 0.080 0.000 1.049 122 K CA 1.683 58.002 56.287 0.053 0.000 0.931 122 K CB -0.335 32.197 32.500 0.054 0.000 0.714 122 K HN 0.390 nan 8.250 nan 0.000 0.440 123 F N 1.358 121.291 119.950 -0.028 0.000 2.113 123 F HA -0.047 4.480 4.527 0.000 0.000 0.297 123 F C 1.983 177.774 175.800 -0.015 0.000 1.103 123 F CA 1.324 59.301 58.000 -0.038 0.000 1.248 123 F CB -0.762 38.204 39.000 -0.056 0.000 0.999 123 F HN 0.083 nan 8.300 nan 0.000 0.475 124 A N 0.211 122.856 122.820 -0.291 0.000 1.883 124 A HA -0.247 4.073 4.320 0.000 0.000 0.217 124 A C 2.178 179.608 177.584 -0.258 0.000 1.186 124 A CA 1.913 53.733 52.037 -0.362 0.000 0.624 124 A CB -0.995 17.924 19.000 -0.135 0.000 0.822 124 A HN 0.611 nan 8.150 nan 0.000 0.444 125 Q N 0.026 119.743 119.800 -0.139 0.000 2.096 125 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 125 Q C 2.491 178.434 176.000 -0.096 0.000 0.982 125 Q CA 2.065 57.814 55.803 -0.089 0.000 0.850 125 Q CB -0.302 28.410 28.738 -0.043 0.000 0.901 125 Q HN 0.881 nan 8.270 nan 0.000 0.422 126 S N -0.343 115.291 115.700 -0.110 0.000 2.399 126 S HA -0.162 4.309 4.470 0.000 0.000 0.231 126 S C 2.164 176.710 174.600 -0.090 0.000 1.022 126 S CA 1.116 59.274 58.200 -0.069 0.000 0.983 126 S CB -0.689 62.501 63.200 -0.018 0.000 0.803 126 S HN 0.413 nan 8.310 nan 0.000 0.480 127 C N 1.233 120.399 119.300 -0.225 0.000 2.432 127 C HA 0.031 4.491 4.460 0.000 0.000 0.277 127 C C 2.810 177.833 174.990 0.054 0.000 1.249 127 C CA 0.725 59.695 59.018 -0.081 0.000 1.725 127 C CB -1.393 26.171 27.740 -0.293 0.000 2.028 127 C HN 0.547 nan 8.230 nan 0.000 0.477 128 V N 1.030 120.915 119.914 -0.048 0.000 2.427 128 V HA -0.179 3.941 4.120 0.000 0.000 0.248 128 V C 2.650 178.726 176.094 -0.031 0.000 1.051 128 V CA 1.947 64.219 62.300 -0.045 0.000 1.048 128 V CB -0.820 30.951 31.823 -0.086 0.000 0.666 128 V HN 0.516 nan 8.190 nan 0.000 0.456 129 R N 0.113 120.600 120.500 -0.022 0.000 2.073 129 R HA -0.144 4.196 4.340 0.000 0.000 0.234 129 R C 2.301 178.627 176.300 0.043 0.000 1.134 129 R CA 1.718 57.817 56.100 -0.001 0.000 0.952 129 R CB -0.189 30.114 30.300 0.006 0.000 0.850 129 R HN 0.330 nan 8.270 nan 0.000 0.433 130 I N 1.248 121.852 120.570 0.056 0.000 2.226 130 I HA -0.306 3.865 4.170 0.000 0.000 0.245 130 I C 2.563 178.738 176.117 0.096 0.000 1.100 130 I CA 1.308 62.665 61.300 0.096 0.000 1.374 130 I CB -0.937 36.964 38.000 -0.166 0.000 1.057 130 I HN 0.418 nan 8.210 nan 0.000 0.413 131 M N 0.410 120.032 119.600 0.037 0.000 2.065 131 M HA -0.262 4.219 4.480 0.000 0.000 0.259 131 M C 2.201 178.577 176.300 0.128 0.000 1.069 131 M CA 1.890 57.310 55.300 0.201 0.000 1.110 131 M CB -0.136 32.617 32.600 0.254 0.000 1.328 131 M HN 0.003 nan 8.290 nan 0.000 0.405 132 K N 0.239 120.642 120.400 0.006 0.000 2.057 132 K HA -0.145 4.175 4.320 0.000 0.000 0.206 132 K C 1.678 178.245 176.600 -0.055 0.000 1.050 132 K CA 1.562 57.824 56.287 -0.041 0.000 0.935 132 K CB -0.918 31.539 32.500 -0.071 0.000 0.715 132 K HN 0.440 nan 8.250 nan 0.000 0.439 133 D N -0.201 120.167 120.400 -0.052 0.000 2.144 133 D HA -0.165 4.475 4.640 0.000 0.000 0.199 133 D C 1.312 177.350 176.300 -0.437 0.000 0.984 133 D CA 1.259 55.127 54.000 -0.220 0.000 0.834 133 D CB 0.062 40.739 40.800 -0.206 0.000 0.955 133 D HN 0.215 nan 8.370 nan 0.000 0.465 134 Y N -1.218 119.012 120.300 -0.116 0.000 2.462 134 Y HA 0.336 4.886 4.550 0.000 0.000 0.261 134 Y C 1.790 177.410 175.900 -0.466 0.000 1.146 134 Y CA 0.425 58.357 58.100 -0.279 0.000 1.283 134 Y CB 0.774 39.081 38.460 -0.255 0.000 1.090 134 Y HN 0.076 nan 8.280 nan 0.000 0.526 135 G N -0.378 108.297 108.800 -0.208 0.000 2.130 135 G HA2 -0.262 3.698 3.960 0.000 0.000 0.216 135 G HA3 -0.262 3.698 3.960 0.000 0.000 0.216 135 G C -0.170 174.648 174.900 -0.136 0.000 0.999 135 G CA -0.550 44.447 45.100 -0.172 0.000 0.686 135 G HN 0.122 nan 8.290 nan 0.000 0.515 136 F N 0.521 120.533 119.950 0.104 0.000 2.403 136 F HA 0.455 4.982 4.527 0.000 0.000 0.320 136 F C 1.341 177.286 175.800 0.243 0.000 1.176 136 F CA -0.330 57.779 58.000 0.183 0.000 1.206 136 F CB 0.668 39.848 39.000 0.300 0.000 1.235 136 F HN -0.026 nan 8.300 nan 0.000 0.565 137 D N 0.227 120.929 120.400 0.503 0.000 2.398 137 D HA 0.288 4.928 4.640 0.000 0.000 0.210 137 D C 0.643 177.231 176.300 0.481 0.000 1.094 137 D CA 0.436 54.714 54.000 0.462 0.000 0.839 137 D CB 0.782 41.738 40.800 0.260 0.000 0.963 137 D HN 0.626 nan 8.370 nan 0.000 0.506 138 G N -0.419 108.621 108.800 0.399 0.000 2.356 138 G HA2 0.364 4.324 3.960 0.000 0.000 0.294 138 G HA3 0.364 4.324 3.960 0.000 0.000 0.294 138 G C -1.830 173.093 174.900 0.037 0.000 1.423 138 G CA -0.567 44.679 45.100 0.244 0.000 0.806 138 G HN -0.073 nan 8.290 nan 0.000 0.527 139 V N 0.576 120.408 119.914 -0.136 0.000 2.495 139 V HA 0.652 4.772 4.120 0.000 0.000 0.298 139 V C -0.900 174.990 176.094 -0.340 0.000 1.031 139 V CA -0.413 61.578 62.300 -0.515 0.000 0.871 139 V CB 1.765 33.381 31.823 -0.346 0.000 0.988 139 V HN 0.901 nan 8.190 nan 0.000 0.432 140 D N 3.723 123.864 120.400 -0.432 0.000 2.649 140 D HA 0.610 5.250 4.640 0.000 0.000 0.249 140 D C -1.011 175.255 176.300 -0.057 0.000 1.112 140 D CA -0.298 53.614 54.000 -0.147 0.000 0.850 140 D CB 1.545 42.291 40.800 -0.090 0.000 1.399 140 D HN 0.436 nan 8.370 nan 0.000 0.503 141 I N 2.697 123.324 120.570 0.095 0.000 2.406 141 I HA 0.296 4.466 4.170 0.000 0.000 0.290 141 I C -0.767 175.512 176.117 0.270 0.000 0.999 141 I CA -0.783 60.657 61.300 0.233 0.000 1.124 141 I CB 1.942 40.150 38.000 0.347 0.000 1.289 141 I HN 0.298 nan 8.210 nan 0.000 0.441 142 D N 5.998 126.548 120.400 0.250 0.000 2.683 142 D HA 0.090 4.730 4.640 0.000 0.000 0.309 142 D C -0.856 175.425 176.300 -0.031 0.000 1.238 142 D CA -0.195 53.885 54.000 0.134 0.000 0.936 142 D CB 0.474 41.376 40.800 0.169 0.000 1.001 142 D HN 0.327 nan 8.370 nan 0.000 0.505 143 W N 2.194 123.344 121.300 -0.249 0.000 2.358 143 W HA 0.278 4.939 4.660 0.000 0.000 0.307 143 W C -0.415 175.643 176.519 -0.768 0.000 1.203 143 W CA -0.977 56.052 57.345 -0.528 0.000 1.279 143 W CB 0.340 29.568 29.460 -0.385 0.000 1.264 143 W HN 0.070 nan 8.180 nan 0.000 0.474 144 E N 6.608 126.436 120.200 -0.619 0.000 2.267 144 E HA 0.242 4.592 4.350 0.000 0.000 0.241 144 E C -1.502 174.519 176.600 -0.966 0.000 0.950 144 E CA -0.305 55.104 56.400 -1.652 0.000 0.776 144 E CB 0.785 29.680 29.700 -1.341 0.000 1.207 144 E HN 0.289 nan 8.360 nan 0.000 0.436 145 Y N 0.760 120.863 120.300 -0.328 0.000 2.581 145 Y HA 0.300 4.850 4.550 0.000 0.000 0.337 145 Y C -2.379 173.083 175.900 -0.731 0.000 1.108 145 Y CA -2.567 55.229 58.100 -0.508 0.000 1.033 145 Y CB 1.807 40.127 38.460 -0.234 0.000 1.318 145 Y HN 0.255 nan 8.280 nan 0.000 0.459 146 P HA 0.099 nan 4.420 nan 0.000 0.272 146 P C -1.360 175.707 177.300 -0.389 0.000 1.223 146 P CA -0.037 62.263 63.100 -1.334 0.000 0.784 146 P CB 1.492 31.878 31.700 -2.190 0.000 0.923 147 Q N 1.388 121.092 119.800 -0.161 0.000 2.991 147 Q HA 0.641 4.981 4.340 0.000 0.000 0.322 147 Q C 0.393 176.393 176.000 -0.000 0.000 0.978 147 Q CA -0.909 54.887 55.803 -0.012 0.000 0.787 147 Q CB 0.553 29.327 28.738 0.060 0.000 1.492 147 Q HN 0.366 nan 8.270 nan 0.000 0.498 148 A N 0.857 123.690 122.820 0.022 0.000 5.326 148 A HA -0.377 3.944 4.320 0.000 0.000 0.379 148 A C 1.614 179.215 177.584 0.029 0.000 1.574 148 A CA 2.998 55.050 52.037 0.025 0.000 0.834 148 A CB -2.121 16.901 19.000 0.036 0.000 1.524 148 A HN 1.592 nan 8.150 nan 0.000 0.448 149 A N -1.069 121.775 122.820 0.040 0.000 2.239 149 A HA 0.215 4.535 4.320 0.000 0.000 0.209 149 A C 1.569 179.190 177.584 0.061 0.000 1.171 149 A CA 1.645 53.711 52.037 0.047 0.000 0.768 149 A CB -0.645 18.384 19.000 0.048 0.000 0.790 149 A HN 0.714 nan 8.150 nan 0.000 0.478 150 E N -0.627 119.606 120.200 0.056 0.000 2.299 150 E HA -0.028 4.322 4.350 0.000 0.000 0.193 150 E C 1.668 178.292 176.600 0.040 0.000 0.998 150 E CA 0.657 57.104 56.400 0.079 0.000 0.851 150 E CB -0.016 29.738 29.700 0.090 0.000 0.795 150 E HN 0.407 nan 8.360 nan 0.000 0.492 151 V N 1.952 121.868 119.914 0.004 0.000 2.343 151 V HA -0.256 3.864 4.120 0.000 0.000 0.247 151 V C 1.594 177.766 176.094 0.130 0.000 1.051 151 V CA 1.928 64.260 62.300 0.053 0.000 1.036 151 V CB -0.404 31.453 31.823 0.058 0.000 0.654 151 V HN 0.204 nan 8.190 nan 0.000 0.451 152 D N 0.805 121.260 120.400 0.092 0.000 2.144 152 D HA -0.112 4.528 4.640 0.000 0.000 0.199 152 D C 2.209 178.571 176.300 0.104 0.000 0.984 152 D CA 1.645 55.695 54.000 0.084 0.000 0.834 152 D CB -0.559 40.278 40.800 0.061 0.000 0.955 152 D HN 0.480 nan 8.370 nan 0.000 0.465 153 G N -0.078 108.802 108.800 0.133 0.000 2.402 153 G HA2 -0.254 3.706 3.960 0.000 0.000 0.216 153 G HA3 -0.254 3.706 3.960 0.000 0.000 0.216 153 G C 1.463 176.497 174.900 0.223 0.000 1.162 153 G CA 0.201 45.394 45.100 0.155 0.000 0.777 153 G HN 0.226 nan 8.290 nan 0.000 0.539 154 F N 1.560 121.555 119.950 0.074 0.000 2.102 154 F HA -0.012 4.515 4.527 0.000 0.000 0.298 154 F C 2.427 178.260 175.800 0.054 0.000 1.105 154 F CA 1.043 59.092 58.000 0.083 0.000 1.239 154 F CB -0.299 38.644 39.000 -0.095 0.000 0.991 154 F HN 0.104 nan 8.300 nan 0.000 0.474 155 I N 0.249 120.823 120.570 0.007 0.000 2.163 155 I HA -0.332 3.838 4.170 0.000 0.000 0.243 155 I C 2.674 178.740 176.117 -0.086 0.000 1.085 155 I CA 1.395 62.624 61.300 -0.117 0.000 1.347 155 I CB -0.929 37.065 38.000 -0.011 0.000 1.044 155 I HN 0.238 nan 8.210 nan 0.000 0.408 156 A N 0.505 123.324 122.820 -0.003 0.000 1.933 156 A HA -0.122 4.199 4.320 0.000 0.000 0.218 156 A C 2.514 180.105 177.584 0.013 0.000 1.175 156 A CA 1.707 53.750 52.037 0.010 0.000 0.628 156 A CB -0.755 18.268 19.000 0.039 0.000 0.814 156 A HN 0.439 nan 8.150 nan 0.000 0.444 157 A N -0.197 122.650 122.820 0.045 0.000 1.898 157 A HA -0.008 4.312 4.320 0.000 0.000 0.216 157 A C 2.149 179.737 177.584 0.006 0.000 1.181 157 A CA 1.419 53.518 52.037 0.103 0.000 0.620 157 A CB -0.556 18.599 19.000 0.258 0.000 0.819 157 A HN 0.467 nan 8.150 nan 0.000 0.442 158 L N -0.901 120.243 121.223 -0.133 0.000 2.046 158 L HA -0.257 4.083 4.340 0.000 0.000 0.208 158 L C 2.893 179.699 176.870 -0.106 0.000 1.077 158 L CA 1.625 56.357 54.840 -0.180 0.000 0.747 158 L CB -0.629 41.223 42.059 -0.345 0.000 0.896 158 L HN 0.469 nan 8.230 nan 0.000 0.432 159 Q N -0.340 119.409 119.800 -0.085 0.000 2.084 159 Q HA -0.277 4.064 4.340 0.000 0.000 0.202 159 Q C 2.100 178.079 176.000 -0.035 0.000 0.978 159 Q CA 1.828 57.600 55.803 -0.052 0.000 0.844 159 Q CB -0.100 28.617 28.738 -0.036 0.000 0.898 159 Q HN 0.380 nan 8.270 nan 0.000 0.426 160 E N 1.094 121.279 120.200 -0.025 0.000 2.051 160 E HA -0.164 4.186 4.350 0.000 0.000 0.192 160 E C 1.715 178.293 176.600 -0.037 0.000 0.991 160 E CA 1.135 57.524 56.400 -0.019 0.000 0.799 160 E CB -0.178 29.523 29.700 0.001 0.000 0.748 160 E HN 0.334 nan 8.360 nan 0.000 0.449 161 I N 0.321 120.858 120.570 -0.056 0.000 2.208 161 I HA -0.279 3.892 4.170 0.000 0.000 0.245 161 I C 2.580 178.666 176.117 -0.051 0.000 1.097 161 I CA 1.280 62.532 61.300 -0.081 0.000 1.363 161 I CB -0.383 37.552 38.000 -0.108 0.000 1.051 161 I HN 0.126 nan 8.210 nan 0.000 0.413 162 R N 1.325 121.799 120.500 -0.044 0.000 2.083 162 R HA -0.166 4.174 4.340 0.000 0.000 0.237 162 R C 2.175 178.468 176.300 -0.011 0.000 1.137 162 R CA 2.501 58.585 56.100 -0.026 0.000 0.951 162 R CB -1.320 28.959 30.300 -0.034 0.000 0.851 162 R HN 0.213 nan 8.270 nan 0.000 0.434 163 T N 1.471 116.016 114.554 -0.016 0.000 2.684 163 T HA -0.109 4.241 4.350 0.000 0.000 0.267 163 T C 1.760 176.458 174.700 -0.002 0.000 1.036 163 T CA 1.779 63.875 62.100 -0.007 0.000 1.148 163 T CB -0.247 68.616 68.868 -0.009 0.000 0.863 163 T HN 0.173 nan 8.240 nan 0.000 0.436 164 L N 0.313 121.527 121.223 -0.014 0.000 2.083 164 L HA -0.043 4.297 4.340 0.000 0.000 0.209 164 L C 2.514 179.383 176.870 -0.002 0.000 1.083 164 L CA 1.102 55.932 54.840 -0.017 0.000 0.752 164 L CB -0.637 41.397 42.059 -0.042 0.000 0.899 164 L HN 0.270 nan 8.230 nan 0.000 0.433 165 L N -0.386 120.841 121.223 0.007 0.000 2.056 165 L HA -0.187 4.154 4.340 0.000 0.000 0.207 165 L C 2.321 179.268 176.870 0.128 0.000 1.078 165 L CA 0.986 55.862 54.840 0.061 0.000 0.749 165 L CB -0.605 41.500 42.059 0.077 0.000 0.901 165 L HN 0.330 nan 8.230 nan 0.000 0.433 166 N N -0.469 118.276 118.700 0.075 0.000 2.166 166 N HA -0.170 4.570 4.740 0.000 0.000 0.186 166 N C 1.918 177.470 175.510 0.070 0.000 1.019 166 N CA 0.951 54.042 53.050 0.068 0.000 0.856 166 N CB -0.175 38.331 38.487 0.032 0.000 0.993 166 N HN 0.283 nan 8.380 nan 0.000 0.426 167 Q N 0.356 120.188 119.800 0.053 0.000 2.119 167 Q HA -0.101 4.239 4.340 0.000 0.000 0.201 167 Q C 1.922 177.966 176.000 0.074 0.000 0.972 167 Q CA 0.972 56.802 55.803 0.046 0.000 0.847 167 Q CB -0.324 28.429 28.738 0.025 0.000 0.903 167 Q HN 0.391 nan 8.270 nan 0.000 0.433 168 Q N 0.153 120.012 119.800 0.099 0.000 2.124 168 Q HA -0.080 4.260 4.340 0.000 0.000 0.202 168 Q C 1.852 178.036 176.000 0.307 0.000 0.977 168 Q CA 1.791 57.680 55.803 0.143 0.000 0.850 168 Q CB -0.265 28.486 28.738 0.022 0.000 0.901 168 Q HN 0.306 nan 8.270 nan 0.000 0.429 169 T N 0.513 115.263 114.554 0.326 0.000 2.720 169 T HA -0.123 4.227 4.350 0.000 0.000 0.268 169 T C 1.690 176.435 174.700 0.074 0.000 1.037 169 T CA 1.473 63.669 62.100 0.160 0.000 1.144 169 T CB -0.243 68.650 68.868 0.042 0.000 0.864 169 T HN 0.265 nan 8.240 nan 0.000 0.444 170 I N 0.932 121.543 120.570 0.068 0.000 2.179 170 I HA -0.186 3.985 4.170 0.000 0.000 0.242 170 I C 2.723 178.866 176.117 0.043 0.000 1.088 170 I CA 1.196 62.519 61.300 0.038 0.000 1.357 170 I CB -0.646 37.372 38.000 0.030 0.000 1.051 170 I HN 0.235 nan 8.210 nan 0.000 0.409 171 T N 0.064 114.655 114.554 0.060 0.000 2.759 171 T HA -0.175 4.175 4.350 0.000 0.000 0.269 171 T C 1.177 175.912 174.700 0.059 0.000 1.042 171 T CA 1.472 63.603 62.100 0.052 0.000 1.140 171 T CB -0.231 68.668 68.868 0.052 0.000 0.864 171 T HN 0.302 nan 8.240 nan 0.000 0.455 172 D N -0.074 120.383 120.400 0.094 0.000 2.349 172 D HA 0.244 4.884 4.640 0.000 0.000 0.214 172 D C 1.444 177.763 176.300 0.033 0.000 1.063 172 D CA 0.397 54.449 54.000 0.087 0.000 0.847 172 D CB -0.118 40.792 40.800 0.184 0.000 0.933 172 D HN 0.435 nan 8.370 nan 0.000 0.513 173 G N 1.899 110.708 108.800 0.015 0.000 2.249 173 G HA2 -0.326 3.635 3.960 0.000 0.000 0.273 173 G HA3 -0.326 3.635 3.960 0.000 0.000 0.273 173 G C 0.861 175.734 174.900 -0.045 0.000 1.036 173 G CA -0.187 44.906 45.100 -0.012 0.000 0.824 173 G HN 0.178 nan 8.290 nan 0.000 0.504 174 R N -0.582 119.869 120.500 -0.083 0.000 2.449 174 R HA 0.148 4.488 4.340 0.000 0.000 0.262 174 R C 2.078 178.282 176.300 -0.161 0.000 1.006 174 R CA 0.254 56.246 56.100 -0.180 0.000 1.104 174 R CB 0.062 30.110 30.300 -0.420 0.000 1.206 174 R HN 0.575 nan 8.270 nan 0.000 0.538 175 Q N 0.226 119.971 119.800 -0.092 0.000 2.197 175 Q HA -0.117 4.223 4.340 0.000 0.000 0.207 175 Q C 1.903 177.861 176.000 -0.070 0.000 0.984 175 Q CA 2.071 57.832 55.803 -0.070 0.000 0.869 175 Q CB -0.186 28.527 28.738 -0.042 0.000 0.906 175 Q HN 0.338 nan 8.270 nan 0.000 0.426 176 A N -0.839 121.938 122.820 -0.072 0.000 2.066 176 A HA 0.077 4.398 4.320 0.000 0.000 0.218 176 A C 0.755 178.295 177.584 -0.073 0.000 1.157 176 A CA 0.578 52.579 52.037 -0.060 0.000 0.670 176 A CB 0.301 19.270 19.000 -0.050 0.000 0.804 176 A HN 0.279 nan 8.150 nan 0.000 0.453 177 L N -0.070 121.085 121.223 -0.114 0.000 2.420 177 L HA 0.372 4.712 4.340 0.000 0.000 0.260 177 L C -2.969 173.773 176.870 -0.214 0.000 1.508 177 L CA -1.721 53.043 54.840 -0.127 0.000 0.835 177 L CB 1.437 43.426 42.059 -0.116 0.000 1.018 177 L HN -0.136 nan 8.230 nan 0.000 0.520 178 P HA 0.050 nan 4.420 nan 0.000 0.267 178 P C -0.957 176.232 177.300 -0.186 0.000 1.200 178 P CA 0.263 63.234 63.100 -0.214 0.000 0.772 178 P CB 0.177 31.826 31.700 -0.085 0.000 0.855 179 Y N 0.705 121.025 120.300 0.034 0.000 2.597 179 Y HA 0.120 4.670 4.550 0.001 0.000 0.336 179 Y C 1.387 177.312 175.900 0.042 0.000 1.216 179 Y CA 0.817 58.948 58.100 0.052 0.000 1.463 179 Y CB 0.052 38.545 38.460 0.055 0.000 1.303 179 Y HN 0.329 nan 8.280 nan 0.000 0.576 180 Q N 1.612 121.550 119.800 0.230 0.000 2.416 180 Q HA 0.681 5.021 4.340 0.000 0.000 0.279 180 Q C -1.707 174.350 176.000 0.095 0.000 1.101 180 Q CA -1.388 54.498 55.803 0.138 0.000 0.830 180 Q CB 2.802 31.646 28.738 0.175 0.000 1.402 180 Q HN 0.523 nan 8.270 nan 0.000 0.445 181 L N 0.737 121.983 121.223 0.039 0.000 2.409 181 L HA 0.640 4.980 4.340 0.000 0.000 0.272 181 L C -1.126 175.747 176.870 0.005 0.000 0.980 181 L CA 0.086 54.924 54.840 -0.002 0.000 0.826 181 L CB 2.148 44.191 42.059 -0.028 0.000 1.268 181 L HN 0.831 nan 8.230 nan 0.000 0.407 182 T N 2.732 117.294 114.554 0.013 0.000 2.841 182 T HA 0.834 5.184 4.350 0.000 0.000 0.296 182 T C -0.461 174.278 174.700 0.065 0.000 1.166 182 T CA -0.579 61.553 62.100 0.054 0.000 1.007 182 T CB 1.554 70.475 68.868 0.087 0.000 1.253 182 T HN 0.878 nan 8.240 nan 0.000 0.511 183 I N -1.849 118.788 120.570 0.111 0.000 2.994 183 I HA 0.893 5.063 4.170 0.000 0.000 0.306 183 I C -0.781 175.447 176.117 0.185 0.000 1.195 183 I CA -1.855 59.543 61.300 0.164 0.000 1.001 183 I CB 1.864 39.991 38.000 0.213 0.000 1.244 183 I HN 0.956 nan 8.210 nan 0.000 0.437 184 A N 2.595 125.545 122.820 0.215 0.000 2.289 184 A HA 0.817 5.137 4.320 0.000 0.000 0.298 184 A C 0.117 177.852 177.584 0.251 0.000 1.208 184 A CA -0.031 52.138 52.037 0.221 0.000 0.845 184 A CB 0.407 19.535 19.000 0.213 0.000 1.125 184 A HN 1.118 nan 8.150 nan 0.000 0.517 185 G N 0.395 109.344 108.800 0.248 0.000 2.473 185 G HA2 0.653 4.614 3.960 0.000 0.000 0.321 185 G HA3 0.653 4.614 3.960 0.000 0.000 0.321 185 G C 0.080 175.128 174.900 0.247 0.000 1.200 185 G CA -0.085 45.207 45.100 0.320 0.000 0.963 185 G HN 1.374 nan 8.290 nan 0.000 0.483 186 A N -0.571 122.267 122.820 0.029 0.000 2.498 186 A HA 0.527 4.847 4.320 0.000 0.000 0.239 186 A C 1.317 178.885 177.584 -0.028 0.000 1.068 186 A CA 0.559 52.433 52.037 -0.271 0.000 0.766 186 A CB 0.493 19.085 19.000 -0.679 0.000 1.003 186 A HN 1.507 nan 8.150 nan 0.000 0.497 187 G N 1.030 109.797 108.800 -0.056 0.000 3.324 187 G HA2 0.470 4.431 3.960 0.000 0.000 0.251 187 G HA3 0.470 4.431 3.960 0.000 0.000 0.251 187 G C 0.414 175.295 174.900 -0.032 0.000 1.072 187 G CA 0.604 45.680 45.100 -0.039 0.000 0.787 187 G HN 1.231 nan 8.290 nan 0.000 0.537 188 G N -1.272 107.502 108.800 -0.044 0.000 2.571 188 G HA2 0.536 4.497 3.960 0.000 0.000 0.304 188 G HA3 0.536 4.497 3.960 0.000 0.000 0.304 188 G C 0.785 175.592 174.900 -0.155 0.000 1.314 188 G CA 0.305 45.374 45.100 -0.051 0.000 0.975 188 G HN 0.293 nan 8.290 nan 0.000 0.485 189 A N 1.128 123.788 122.820 -0.267 0.000 1.978 189 A HA 0.025 4.345 4.320 0.000 0.000 0.220 189 A C 1.906 179.161 177.584 -0.549 0.000 1.170 189 A CA 1.663 53.397 52.037 -0.504 0.000 0.636 189 A CB -0.549 18.096 19.000 -0.591 0.000 0.810 189 A HN 0.600 nan 8.150 nan 0.000 0.448 190 F N -1.358 118.495 119.950 -0.162 0.000 2.051 190 F HA -0.102 4.425 4.527 0.000 0.000 0.296 190 F C 2.074 177.707 175.800 -0.279 0.000 1.122 190 F CA 1.471 59.330 58.000 -0.235 0.000 1.201 190 F CB -1.034 37.790 39.000 -0.294 0.000 0.978 190 F HN 0.205 nan 8.300 nan 0.000 0.472 191 F N -0.507 119.414 119.950 -0.047 0.000 2.259 191 F HA -0.082 4.445 4.527 0.000 0.000 0.298 191 F C 2.205 177.738 175.800 -0.445 0.000 1.088 191 F CA 0.485 58.372 58.000 -0.189 0.000 1.358 191 F CB -1.033 37.812 39.000 -0.259 0.000 1.040 191 F HN -0.100 nan 8.300 nan 0.000 0.505 192 L N 0.435 121.456 121.223 -0.337 0.000 2.079 192 L HA -0.219 4.121 4.340 0.000 0.000 0.210 192 L C 2.589 179.054 176.870 -0.676 0.000 1.081 192 L CA 2.121 56.577 54.840 -0.641 0.000 0.752 192 L CB -1.229 40.538 42.059 -0.487 0.000 0.896 192 L HN 0.206 nan 8.230 nan 0.000 0.433 193 S N -0.980 114.436 115.700 -0.474 0.000 2.440 193 S HA -0.246 4.224 4.470 0.000 0.000 0.238 193 S C 2.054 176.490 174.600 -0.272 0.000 1.010 193 S CA 1.052 59.015 58.200 -0.396 0.000 0.972 193 S CB -0.701 62.296 63.200 -0.338 0.000 0.774 193 S HN 0.574 nan 8.310 nan 0.000 0.501 194 R N 0.290 120.651 120.500 -0.232 0.000 2.096 194 R HA -0.082 4.258 4.340 0.000 0.000 0.235 194 R C 1.609 177.890 176.300 -0.031 0.000 1.127 194 R CA 1.859 57.917 56.100 -0.070 0.000 0.968 194 R CB -0.345 30.011 30.300 0.092 0.000 0.861 194 R HN 0.918 nan 8.270 nan 0.000 0.440 195 Y N -5.336 114.927 120.300 -0.062 0.000 2.672 195 Y HA 0.228 4.779 4.550 0.000 0.000 0.252 195 Y C 1.298 177.179 175.900 -0.032 0.000 1.132 195 Y CA -1.275 56.791 58.100 -0.056 0.000 1.228 195 Y CB -0.715 37.700 38.460 -0.076 0.000 1.310 195 Y HN -0.134 nan 8.280 nan 0.000 0.549 196 Y N 2.864 122.885 120.300 -0.465 0.000 2.102 196 Y HA -0.340 4.210 4.550 0.000 0.000 0.280 196 Y C 2.710 178.499 175.900 -0.184 0.000 1.178 196 Y CA 2.644 60.515 58.100 -0.382 0.000 1.146 196 Y CB -0.572 37.603 38.460 -0.475 0.000 0.968 196 Y HN 0.360 nan 8.280 nan 0.000 0.504 197 S N -0.750 114.835 115.700 -0.193 0.000 2.440 197 S HA -0.197 4.274 4.470 0.000 0.000 0.238 197 S C 1.472 175.981 174.600 -0.150 0.000 1.010 197 S CA 1.557 59.619 58.200 -0.231 0.000 0.972 197 S CB -0.417 62.691 63.200 -0.152 0.000 0.774 197 S HN 0.562 nan 8.310 nan 0.000 0.501 198 K N 0.302 120.664 120.400 -0.064 0.000 2.514 198 K HA 0.435 4.755 4.320 0.000 0.000 0.207 198 K C 1.090 177.707 176.600 0.029 0.000 1.035 198 K CA -0.217 56.071 56.287 0.001 0.000 1.113 198 K CB 0.062 32.593 32.500 0.052 0.000 0.846 198 K HN 0.261 nan 8.250 nan 0.000 0.491 199 L N 0.674 121.879 121.223 -0.029 0.000 2.043 199 L HA -0.290 4.050 4.340 0.000 0.000 0.212 199 L C 2.397 179.289 176.870 0.038 0.000 1.075 199 L CA 1.659 56.519 54.840 0.034 0.000 0.752 199 L CB -0.400 41.600 42.059 -0.099 0.000 0.891 199 L HN 0.343 nan 8.230 nan 0.000 0.432 200 A N -0.825 121.993 122.820 -0.003 0.000 1.908 200 A HA -0.281 4.039 4.320 0.000 0.000 0.218 200 A C 2.132 179.725 177.584 0.016 0.000 1.181 200 A CA 1.753 53.797 52.037 0.013 0.000 0.627 200 A CB -0.493 18.511 19.000 0.007 0.000 0.818 200 A HN 0.520 nan 8.150 nan 0.000 0.445 201 Q N -0.839 118.969 119.800 0.014 0.000 2.119 201 Q HA -0.054 4.286 4.340 0.000 0.000 0.201 201 Q C 2.008 178.003 176.000 -0.008 0.000 0.972 201 Q CA 1.321 57.127 55.803 0.006 0.000 0.847 201 Q CB -0.244 28.501 28.738 0.012 0.000 0.903 201 Q HN 0.758 nan 8.270 nan 0.000 0.433 202 I N -0.315 120.264 120.570 0.015 0.000 2.315 202 I HA -0.211 3.959 4.170 0.000 0.000 0.248 202 I C 1.952 178.057 176.117 -0.021 0.000 1.117 202 I CA 0.767 62.059 61.300 -0.013 0.000 1.404 202 I CB 0.041 38.083 38.000 0.071 0.000 1.071 202 I HN 0.009 nan 8.210 nan 0.000 0.419 203 V N 0.679 120.609 119.914 0.026 0.000 2.951 203 V HA -0.069 4.052 4.120 0.000 0.000 0.255 203 V C 2.589 178.680 176.094 -0.005 0.000 1.088 203 V CA 1.215 63.532 62.300 0.028 0.000 1.109 203 V CB -0.555 31.312 31.823 0.074 0.000 0.724 203 V HN 0.420 nan 8.190 nan 0.000 0.471 204 A N 1.674 124.487 122.820 -0.012 0.000 1.892 204 A HA -0.150 4.170 4.320 0.000 0.000 0.218 204 A C 0.641 178.203 177.584 -0.037 0.000 1.188 204 A CA 2.314 54.338 52.037 -0.021 0.000 0.631 204 A CB -1.767 17.223 19.000 -0.017 0.000 0.822 204 A HN 0.595 nan 8.150 nan 0.000 0.447 205 P HA 0.186 nan 4.420 nan 0.000 0.249 205 P C -0.031 177.232 177.300 -0.063 0.000 1.229 205 P CA 0.309 63.375 63.100 -0.058 0.000 0.788 205 P CB -0.066 31.591 31.700 -0.071 0.000 1.072 206 L N -0.100 121.086 121.223 -0.062 0.000 2.360 206 L HA 0.312 4.653 4.340 0.000 0.000 0.271 206 L C 1.444 178.242 176.870 -0.119 0.000 1.057 206 L CA -0.647 54.154 54.840 -0.066 0.000 0.803 206 L CB 0.837 42.879 42.059 -0.030 0.000 1.207 206 L HN -0.269 nan 8.230 nan 0.000 0.445 207 D N 0.173 120.469 120.400 -0.173 0.000 2.183 207 D HA -0.003 4.638 4.640 0.000 0.000 0.205 207 D C -0.564 175.313 176.300 -0.706 0.000 0.962 207 D CA 1.693 55.436 54.000 -0.429 0.000 0.849 207 D CB 0.416 40.983 40.800 -0.388 0.000 0.978 207 D HN 0.287 nan 8.370 nan 0.000 0.488 208 Y N -0.882 119.410 120.300 -0.014 0.000 2.581 208 Y HA 0.404 4.954 4.550 0.000 0.000 0.337 208 Y C -0.719 175.181 175.900 0.000 0.000 1.108 208 Y CA -0.988 57.101 58.100 -0.019 0.000 1.033 208 Y CB 1.925 40.346 38.460 -0.065 0.000 1.318 208 Y HN -0.290 nan 8.280 nan 0.000 0.459 209 I N 3.025 123.716 120.570 0.202 0.000 2.382 209 I HA 0.483 4.653 4.170 0.000 0.000 0.286 209 I C -1.327 174.861 176.117 0.118 0.000 1.002 209 I CA -0.652 60.736 61.300 0.147 0.000 1.135 209 I CB 0.652 38.738 38.000 0.143 0.000 1.288 209 I HN 0.576 nan 8.210 nan 0.000 0.448 210 N N 8.798 127.570 118.700 0.120 0.000 2.437 210 N HA 0.341 5.081 4.740 0.000 0.000 0.243 210 N C -0.759 174.811 175.510 0.101 0.000 1.041 210 N CA -0.225 52.885 53.050 0.099 0.000 0.940 210 N CB 1.428 39.990 38.487 0.126 0.000 1.133 210 N HN 0.572 nan 8.380 nan 0.000 0.506 211 L N 1.832 123.080 121.223 0.043 0.000 2.367 211 L HA 0.273 4.613 4.340 0.000 0.000 0.275 211 L C 1.188 178.052 176.870 -0.009 0.000 1.129 211 L CA -0.028 54.811 54.840 -0.001 0.000 0.839 211 L CB 0.522 42.521 42.059 -0.099 0.000 1.133 211 L HN 0.337 nan 8.230 nan 0.000 0.453 212 M N 3.339 122.876 119.600 -0.105 0.000 3.586 212 M HA 0.056 4.536 4.480 0.000 0.000 0.225 212 M C 0.323 176.323 176.300 -0.500 0.000 1.428 212 M CA -0.156 54.862 55.300 -0.469 0.000 1.613 212 M CB -0.435 31.908 32.600 -0.429 0.000 1.063 212 M HN 0.579 nan 8.290 nan 0.000 0.593 213 T N 0.017 114.447 114.554 -0.207 0.000 4.309 213 T HA 0.271 4.622 4.350 0.000 0.000 0.242 213 T C -0.476 174.301 174.700 0.128 0.000 1.142 213 T CA -0.201 61.879 62.100 -0.034 0.000 1.042 213 T CB -1.120 67.773 68.868 0.041 0.000 1.366 213 T HN 0.565 nan 8.240 nan 0.000 0.942 214 Y N -3.106 117.232 120.300 0.064 0.000 2.895 214 Y HA 0.522 5.072 4.550 0.000 0.000 0.339 214 Y C -0.426 175.538 175.900 0.107 0.000 1.363 214 Y CA -1.671 56.471 58.100 0.070 0.000 1.085 214 Y CB -0.102 38.390 38.460 0.053 0.000 1.500 214 Y HN 0.089 nan 8.280 nan 0.000 0.442 215 D N 0.055 120.687 120.400 0.387 0.000 2.911 215 D HA -0.157 4.484 4.640 0.000 0.000 0.227 215 D C 0.284 176.787 176.300 0.338 0.000 1.164 215 D CA 1.272 55.505 54.000 0.388 0.000 0.782 215 D CB -0.922 40.017 40.800 0.232 0.000 1.094 215 D HN 0.688 nan 8.370 nan 0.000 0.425 216 L N -1.701 119.658 121.223 0.227 0.000 2.591 216 L HA 0.373 4.714 4.340 0.000 0.000 0.228 216 L C 1.088 178.037 176.870 0.131 0.000 1.133 216 L CA 0.617 55.529 54.840 0.121 0.000 0.880 216 L CB 0.006 42.080 42.059 0.025 0.000 1.033 216 L HN 0.201 nan 8.230 nan 0.000 0.450 217 A N -0.600 122.341 122.820 0.202 0.000 2.587 217 A HA 0.857 5.177 4.320 0.000 0.000 0.293 217 A C -0.447 177.042 177.584 -0.159 0.000 1.087 217 A CA 0.022 52.119 52.037 0.100 0.000 0.692 217 A CB 1.764 20.868 19.000 0.173 0.000 1.291 217 A HN 0.081 nan 8.150 nan 0.000 0.407 218 G N -0.358 108.080 108.800 -0.604 0.000 2.338 218 G HA2 0.522 4.482 3.960 0.000 0.000 0.295 218 G HA3 0.522 4.482 3.960 0.000 0.000 0.295 218 G C -2.825 171.277 174.900 -1.330 0.000 1.461 218 G CA 0.013 44.208 45.100 -1.508 0.000 0.817 218 G HN 0.436 nan 8.290 nan 0.000 0.556 219 P HA -0.047 nan 4.420 nan 0.000 0.229 219 P C 1.183 178.480 177.300 -0.006 0.000 1.150 219 P CA 1.285 64.100 63.100 -0.475 0.000 0.765 219 P CB -0.130 31.399 31.700 -0.285 0.000 0.783 220 W N -0.503 120.879 121.300 0.136 0.000 3.047 220 W HA 0.273 4.933 4.660 0.000 0.000 0.250 220 W C 0.214 176.831 176.519 0.164 0.000 1.314 220 W CA -0.222 57.202 57.345 0.131 0.000 1.540 220 W CB -0.761 28.737 29.460 0.063 0.000 1.127 220 W HN -0.234 nan 8.180 nan 0.000 0.679 221 E N 0.914 121.086 120.200 -0.045 0.000 2.191 221 E HA 0.260 4.611 4.350 0.000 0.000 0.274 221 E C 1.189 177.945 176.600 0.261 0.000 0.948 221 E CA 0.097 56.572 56.400 0.124 0.000 0.802 221 E CB 1.660 31.413 29.700 0.089 0.000 1.137 221 E HN 0.108 nan 8.360 nan 0.000 0.397 222 K N 1.395 121.889 120.400 0.156 0.000 2.288 222 K HA 0.056 4.376 4.320 0.000 0.000 0.201 222 K C 0.881 177.550 176.600 0.116 0.000 1.048 222 K CA 0.821 57.160 56.287 0.088 0.000 0.956 222 K CB -0.014 32.478 32.500 -0.013 0.000 0.746 222 K HN 0.234 nan 8.250 nan 0.000 0.461 223 V N 2.526 122.488 119.914 0.079 0.000 2.417 223 V HA 0.284 4.405 4.120 0.000 0.000 0.291 223 V C 0.439 176.452 176.094 -0.136 0.000 1.024 223 V CA -0.675 61.615 62.300 -0.017 0.000 0.861 223 V CB 1.227 33.002 31.823 -0.080 0.000 0.985 223 V HN 0.553 nan 8.190 nan 0.000 0.436 224 T N 2.135 116.435 114.554 -0.424 0.000 2.932 224 T HA 0.389 4.739 4.350 0.000 0.000 0.312 224 T C -0.183 174.136 174.700 -0.635 0.000 1.071 224 T CA -0.112 61.371 62.100 -1.029 0.000 1.128 224 T CB 0.901 68.808 68.868 -1.601 0.000 0.984 224 T HN 0.779 nan 8.240 nan 0.000 0.549 225 N N -0.789 117.622 118.700 -0.481 0.000 3.185 225 N HA 0.165 4.905 4.740 0.000 0.000 0.238 225 N C -1.762 173.699 175.510 -0.081 0.000 1.451 225 N CA -0.743 52.196 53.050 -0.185 0.000 0.888 225 N CB 0.915 39.452 38.487 0.083 0.000 1.413 225 N HN 0.709 nan 8.380 nan 0.000 0.511 226 H N 1.226 120.403 119.070 0.179 0.000 2.803 226 H HA 0.087 4.643 4.556 0.000 0.000 0.330 226 H C 0.392 175.799 175.328 0.132 0.000 1.057 226 H CA 0.363 56.495 56.048 0.139 0.000 1.458 226 H CB 1.182 30.969 29.762 0.040 0.000 1.470 226 H HN 0.588 nan 8.280 nan 0.000 0.560 227 Q N 1.860 121.790 119.800 0.217 0.000 2.432 227 Q HA 0.212 4.553 4.340 0.000 0.000 0.205 227 Q C 0.362 176.469 176.000 0.177 0.000 0.945 227 Q CA 0.807 56.728 55.803 0.197 0.000 0.924 227 Q CB 0.753 29.616 28.738 0.208 0.000 1.016 227 Q HN 0.503 nan 8.270 nan 0.000 0.503 228 A N 0.453 123.362 122.820 0.148 0.000 3.165 228 A HA 0.662 4.983 4.320 0.000 0.000 0.212 228 A C -0.150 177.448 177.584 0.023 0.000 0.935 228 A CA -0.258 51.844 52.037 0.108 0.000 1.100 228 A CB 0.129 19.220 19.000 0.153 0.000 1.260 228 A HN 0.358 nan 8.150 nan 0.000 0.532 229 A N 0.078 122.909 122.820 0.018 0.000 2.511 229 A HA 0.413 4.733 4.320 0.000 0.000 0.242 229 A C 1.176 178.663 177.584 -0.162 0.000 1.069 229 A CA 0.235 52.221 52.037 -0.085 0.000 0.763 229 A CB 0.095 19.082 19.000 -0.023 0.000 1.001 229 A HN 1.397 nan 8.150 nan 0.000 0.498 230 L N 2.850 123.899 121.223 -0.289 0.000 2.044 230 L HA 0.260 4.600 4.340 0.000 0.000 0.205 230 L C 0.082 176.541 176.870 -0.684 0.000 1.075 230 L CA 1.739 56.240 54.840 -0.565 0.000 0.747 230 L CB -0.489 41.135 42.059 -0.725 0.000 0.903 230 L HN 0.601 nan 8.230 nan 0.000 0.435 231 F N -1.195 118.700 119.950 -0.092 0.000 2.618 231 F HA 0.659 5.187 4.527 0.000 0.000 0.332 231 F C 0.920 176.699 175.800 -0.035 0.000 1.061 231 F CA -0.925 57.054 58.000 -0.036 0.000 0.974 231 F CB 0.453 39.442 39.000 -0.018 0.000 1.310 231 F HN -0.125 nan 8.300 nan 0.000 0.491 232 G N -0.260 108.674 108.800 0.225 0.000 2.448 232 G HA2 0.393 4.353 3.960 0.000 0.000 0.285 232 G HA3 0.393 4.353 3.960 0.000 0.000 0.285 232 G C -1.620 173.315 174.900 0.059 0.000 1.176 232 G CA -0.225 44.939 45.100 0.106 0.000 0.852 232 G HN 0.497 nan 8.290 nan 0.000 0.530 233 D N 0.857 121.268 120.400 0.019 0.000 2.381 233 D HA 0.443 5.083 4.640 0.000 0.000 0.235 233 D C 1.155 177.413 176.300 -0.069 0.000 1.068 233 D CA -0.216 53.785 54.000 0.001 0.000 0.832 233 D CB 1.584 42.428 40.800 0.073 0.000 1.101 233 D HN 0.286 nan 8.370 nan 0.000 0.515 234 A N 3.596 126.386 122.820 -0.051 0.000 2.024 234 A HA -0.044 4.277 4.320 0.000 0.000 0.220 234 A C 1.928 179.431 177.584 -0.135 0.000 1.164 234 A CA 1.765 53.756 52.037 -0.076 0.000 0.643 234 A CB -0.332 18.643 19.000 -0.043 0.000 0.806 234 A HN 0.615 nan 8.150 nan 0.000 0.451 235 A N -0.490 122.248 122.820 -0.137 0.000 2.167 235 A HA 0.407 4.727 4.320 0.000 0.000 0.214 235 A C 1.465 178.720 177.584 -0.548 0.000 1.151 235 A CA 0.927 52.856 52.037 -0.179 0.000 0.735 235 A CB -0.790 18.211 19.000 0.002 0.000 0.802 235 A HN 0.684 nan 8.150 nan 0.000 0.467 236 G N 0.036 108.341 108.800 -0.825 0.000 2.547 236 G HA2 0.482 4.442 3.960 0.000 0.000 0.291 236 G HA3 0.482 4.442 3.960 0.000 0.000 0.291 236 G C -2.389 172.101 174.900 -0.683 0.000 1.211 236 G CA -1.286 42.929 45.100 -1.474 0.000 0.950 236 G HN 0.193 nan 8.290 nan 0.000 0.504 237 P HA 0.220 nan 4.420 nan 0.000 0.272 237 P C -0.125 177.004 177.300 -0.286 0.000 1.230 237 P CA 0.042 62.921 63.100 -0.367 0.000 0.788 237 P CB 1.058 32.550 31.700 -0.347 0.000 0.949 238 T N -1.550 112.793 114.554 -0.352 0.000 2.930 238 T HA 0.744 5.094 4.350 0.000 0.000 0.290 238 T C -0.639 173.809 174.700 -0.421 0.000 1.052 238 T CA -0.525 61.445 62.100 -0.217 0.000 1.017 238 T CB 0.957 69.757 68.868 -0.113 0.000 1.137 238 T HN 0.185 nan 8.240 nan 0.000 0.511 239 F N -0.525 119.352 119.950 -0.122 0.000 2.620 239 F HA 0.510 5.037 4.527 0.000 0.000 0.320 239 F C -0.386 175.572 175.800 0.264 0.000 1.069 239 F CA -1.596 56.456 58.000 0.086 0.000 0.953 239 F CB 1.330 40.396 39.000 0.110 0.000 1.322 239 F HN 0.731 nan 8.300 nan 0.000 0.479 240 Y N 2.244 122.844 120.300 0.499 0.000 2.526 240 Y HA 0.080 4.631 4.550 0.000 0.000 0.330 240 Y C 0.554 176.661 175.900 0.345 0.000 1.156 240 Y CA -0.086 58.240 58.100 0.377 0.000 1.419 240 Y CB 0.248 38.935 38.460 0.378 0.000 1.250 240 Y HN 0.449 nan 8.280 nan 0.000 0.540 241 N N 5.467 124.101 118.700 -0.111 0.000 2.605 241 N HA 0.090 4.830 4.740 0.000 0.000 0.258 241 N C 0.597 175.878 175.510 -0.382 0.000 1.156 241 N CA 0.602 53.487 53.050 -0.274 0.000 1.008 241 N CB 0.658 38.880 38.487 -0.441 0.000 1.354 241 N HN 0.912 nan 8.380 nan 0.000 0.509 242 A N 4.201 126.875 122.820 -0.244 0.000 2.032 242 A HA -0.141 4.179 4.320 0.000 0.000 0.221 242 A C 2.117 179.445 177.584 -0.426 0.000 1.165 242 A CA 0.931 52.887 52.037 -0.135 0.000 0.645 242 A CB -0.328 18.525 19.000 -0.244 0.000 0.807 242 A HN 0.732 nan 8.150 nan 0.000 0.453 243 L N -0.350 120.388 121.223 -0.808 0.000 2.265 243 L HA -0.213 4.128 4.340 0.000 0.000 0.215 243 L C 2.680 178.770 176.870 -1.300 0.000 1.117 243 L CA 1.601 55.679 54.840 -1.270 0.000 0.782 243 L CB -0.606 40.245 42.059 -2.014 0.000 0.914 243 L HN 0.631 nan 8.230 nan 0.000 0.441 244 R N -0.227 119.751 120.500 -0.871 0.000 2.285 244 R HA -0.087 4.253 4.340 0.000 0.000 0.213 244 R C 1.009 177.185 176.300 -0.206 0.000 1.068 244 R CA 0.809 56.694 56.100 -0.358 0.000 1.004 244 R CB -0.145 30.067 30.300 -0.146 0.000 0.873 244 R HN 0.300 nan 8.270 nan 0.000 0.467 245 E N 0.849 120.922 120.200 -0.211 0.000 2.481 245 E HA 0.224 4.574 4.350 0.000 0.000 0.198 245 E C 0.148 176.657 176.600 -0.152 0.000 1.027 245 E CA 0.190 56.532 56.400 -0.096 0.000 0.900 245 E CB 1.034 30.738 29.700 0.006 0.000 0.993 245 E HN 0.418 nan 8.360 nan 0.000 0.482 246 A N 1.744 124.405 122.820 -0.264 0.000 2.366 246 A HA 0.127 4.447 4.320 0.000 0.000 0.249 246 A C 0.538 178.008 177.584 -0.191 0.000 1.084 246 A CA -0.375 51.524 52.037 -0.231 0.000 0.794 246 A CB 0.107 18.939 19.000 -0.280 0.000 1.034 246 A HN -0.012 nan 8.150 nan 0.000 0.491 247 N N 1.347 119.961 118.700 -0.143 0.000 2.819 247 N HA 0.180 4.921 4.740 0.000 0.000 0.284 247 N C 0.282 175.688 175.510 -0.172 0.000 1.196 247 N CA 0.196 53.175 53.050 -0.117 0.000 1.114 247 N CB -0.566 37.882 38.487 -0.064 0.000 1.437 247 N HN 0.589 nan 8.380 nan 0.000 0.518 248 L N 0.506 121.558 121.223 -0.285 0.000 2.408 248 L HA 0.296 4.637 4.340 0.000 0.000 0.215 248 L C 1.544 178.241 176.870 -0.289 0.000 1.081 248 L CA 0.399 54.935 54.840 -0.506 0.000 0.840 248 L CB -0.052 41.273 42.059 -1.222 0.000 1.002 248 L HN 0.563 nan 8.230 nan 0.000 0.468 249 G N -1.022 107.719 108.800 -0.098 0.000 2.143 249 G HA2 -0.231 3.729 3.960 0.000 0.000 0.248 249 G HA3 -0.231 3.729 3.960 0.000 0.000 0.248 249 G C -0.243 174.831 174.900 0.289 0.000 0.991 249 G CA -0.298 44.858 45.100 0.093 0.000 0.689 249 G HN 0.094 nan 8.290 nan 0.000 0.522 250 W N 1.184 122.528 121.300 0.074 0.000 2.253 250 W HA 0.717 5.377 4.660 0.001 0.000 0.348 250 W C 1.171 177.741 176.519 0.085 0.000 1.229 250 W CA -0.883 56.501 57.345 0.065 0.000 1.335 250 W CB 0.537 30.031 29.460 0.056 0.000 1.165 250 W HN 0.530 nan 8.180 nan 0.000 0.631 251 S N 0.067 115.963 115.700 0.327 0.000 2.624 251 S HA 0.038 4.508 4.470 0.000 0.000 0.263 251 S C 0.655 175.435 174.600 0.300 0.000 1.287 251 S CA -0.443 57.924 58.200 0.278 0.000 0.990 251 S CB 0.799 64.141 63.200 0.237 0.000 0.950 251 S HN 0.597 nan 8.310 nan 0.000 0.561 252 W N 1.280 122.663 121.300 0.139 0.000 2.335 252 W HA -0.117 4.543 4.660 0.000 0.000 0.311 252 W C 2.166 178.744 176.519 0.100 0.000 1.213 252 W CA 1.901 59.317 57.345 0.118 0.000 1.274 252 W CB -0.192 29.324 29.460 0.094 0.000 1.148 252 W HN 0.796 nan 8.180 nan 0.000 0.498 253 E N 0.370 120.871 120.200 0.501 0.000 2.085 253 E HA -0.248 4.102 4.350 0.000 0.000 0.194 253 E C 1.836 178.453 176.600 0.029 0.000 0.994 253 E CA 2.025 58.607 56.400 0.303 0.000 0.801 253 E CB -0.680 29.178 29.700 0.263 0.000 0.743 253 E HN 0.586 nan 8.360 nan 0.000 0.453 254 E N 0.587 120.807 120.200 0.034 0.000 2.072 254 E HA -0.112 4.238 4.350 0.000 0.000 0.191 254 E C 2.386 178.967 176.600 -0.033 0.000 0.985 254 E CA 0.576 56.928 56.400 -0.080 0.000 0.801 254 E CB -0.118 29.507 29.700 -0.126 0.000 0.750 254 E HN 0.180 nan 8.360 nan 0.000 0.452 255 L N 0.653 121.929 121.223 0.089 0.000 2.046 255 L HA -0.174 4.166 4.340 0.000 0.000 0.208 255 L C 2.585 179.355 176.870 -0.165 0.000 1.077 255 L CA 1.272 56.184 54.840 0.119 0.000 0.747 255 L CB -0.579 41.528 42.059 0.080 0.000 0.896 255 L HN 0.163 nan 8.230 nan 0.000 0.432 256 T N -0.880 113.432 114.554 -0.403 0.000 2.746 256 T HA -0.178 4.172 4.350 0.000 0.000 0.267 256 T C 2.050 176.564 174.700 -0.311 0.000 1.039 256 T CA 1.120 62.922 62.100 -0.496 0.000 1.142 256 T CB -0.166 68.181 68.868 -0.868 0.000 0.866 256 T HN 0.244 nan 8.240 nan 0.000 0.444 257 R N 0.558 120.900 120.500 -0.263 0.000 2.096 257 R HA 0.038 4.378 4.340 0.000 0.000 0.235 257 R C 2.659 178.768 176.300 -0.318 0.000 1.127 257 R CA 1.281 57.239 56.100 -0.236 0.000 0.968 257 R CB -0.296 29.881 30.300 -0.206 0.000 0.861 257 R HN 0.370 nan 8.270 nan 0.000 0.440 258 A N 0.131 122.670 122.820 -0.468 0.000 1.975 258 A HA 0.016 4.336 4.320 0.000 0.000 0.215 258 A C 0.363 177.504 177.584 -0.739 0.000 1.170 258 A CA 0.668 52.263 52.037 -0.737 0.000 0.656 258 A CB 0.275 18.540 19.000 -1.226 0.000 0.821 258 A HN 0.163 nan 8.150 nan 0.000 0.449 259 F N 0.216 120.106 119.950 -0.100 0.000 2.531 259 F HA 0.381 4.909 4.527 0.000 0.000 0.333 259 F C -2.798 172.847 175.800 -0.258 0.000 1.292 259 F CA -3.709 54.181 58.000 -0.185 0.000 1.184 259 F CB 0.188 39.049 39.000 -0.232 0.000 1.426 259 F HN -0.079 nan 8.300 nan 0.000 0.559 260 P HA 0.095 nan 4.420 nan 0.000 0.266 260 P C -0.043 177.225 177.300 -0.054 0.000 1.195 260 P CA 0.276 63.294 63.100 -0.138 0.000 0.768 260 P CB 1.098 32.685 31.700 -0.189 0.000 0.838 261 S N 2.025 117.700 115.700 -0.042 0.000 2.543 261 S HA 0.560 5.030 4.470 0.000 0.000 0.271 261 S C -2.710 171.891 174.600 0.002 0.000 1.148 261 S CA -1.212 56.983 58.200 -0.009 0.000 0.914 261 S CB 0.581 63.654 63.200 -0.212 0.000 1.096 261 S HN 0.255 nan 8.310 nan 0.000 0.471 262 P HA 0.481 nan 4.420 nan 0.000 0.273 262 P C -0.877 176.578 177.300 0.258 0.000 1.250 262 P CA -0.221 62.968 63.100 0.149 0.000 0.793 262 P CB 0.170 31.914 31.700 0.072 0.000 1.011 263 F N -2.561 117.441 119.950 0.086 0.000 2.692 263 F HA 0.591 5.118 4.527 0.000 0.000 0.320 263 F C -0.882 175.030 175.800 0.186 0.000 1.123 263 F CA -1.433 56.637 58.000 0.117 0.000 0.961 263 F CB 0.521 39.621 39.000 0.168 0.000 1.383 263 F HN 0.102 nan 8.300 nan 0.000 0.483 264 S N 1.976 117.634 115.700 -0.069 0.000 2.439 264 S HA 0.395 4.865 4.470 0.000 0.000 0.282 264 S C -0.537 173.864 174.600 -0.332 0.000 1.170 264 S CA -0.406 57.709 58.200 -0.141 0.000 1.054 264 S CB 0.634 63.860 63.200 0.044 0.000 0.956 264 S HN 0.639 nan 8.310 nan 0.000 0.490 265 L N 6.181 127.134 121.223 -0.449 0.000 2.462 265 L HA 0.272 4.612 4.340 0.000 0.000 0.283 265 L C 0.566 177.359 176.870 -0.128 0.000 1.166 265 L CA 0.604 55.182 54.840 -0.436 0.000 0.964 265 L CB -0.907 40.762 42.059 -0.650 0.000 1.294 265 L HN 0.787 nan 8.230 nan 0.000 0.449 266 T N -0.179 114.366 114.554 -0.016 0.000 2.864 266 T HA 0.429 4.779 4.350 0.000 0.000 0.289 266 T C 1.079 175.761 174.700 -0.030 0.000 1.082 266 T CA -0.479 61.614 62.100 -0.011 0.000 1.009 266 T CB 1.049 69.927 68.868 0.017 0.000 1.234 266 T HN -0.041 nan 8.240 nan 0.000 0.526 267 V N 0.783 120.635 119.914 -0.103 0.000 2.358 267 V HA -0.092 4.028 4.120 0.000 0.000 0.246 267 V C 2.532 178.529 176.094 -0.162 0.000 1.047 267 V CA 2.467 64.688 62.300 -0.132 0.000 1.035 267 V CB -1.032 30.666 31.823 -0.209 0.000 0.658 267 V HN 1.100 nan 8.190 nan 0.000 0.452 268 D N 0.458 120.702 120.400 -0.260 0.000 2.149 268 D HA -0.165 4.475 4.640 0.000 0.000 0.198 268 D C 2.067 178.435 176.300 0.114 0.000 0.990 268 D CA 1.548 55.490 54.000 -0.097 0.000 0.839 268 D CB -0.119 40.699 40.800 0.030 0.000 0.948 268 D HN 0.375 nan 8.370 nan 0.000 0.460 269 A N 0.517 123.388 122.820 0.084 0.000 1.877 269 A HA 0.062 4.382 4.320 0.000 0.000 0.216 269 A C 2.435 179.897 177.584 -0.204 0.000 1.186 269 A CA 2.196 54.188 52.037 -0.075 0.000 0.620 269 A CB -1.217 17.899 19.000 0.195 0.000 0.822 269 A HN 0.347 nan 8.150 nan 0.000 0.443 270 A N -0.607 122.188 122.820 -0.042 0.000 1.902 270 A HA -0.010 4.310 4.320 0.000 0.000 0.217 270 A C 2.243 179.925 177.584 0.163 0.000 1.181 270 A CA 1.861 53.916 52.037 0.030 0.000 0.623 270 A CB -0.964 18.060 19.000 0.039 0.000 0.818 270 A HN 0.399 nan 8.150 nan 0.000 0.443 271 V N -0.048 119.940 119.914 0.124 0.000 2.343 271 V HA -0.241 3.880 4.120 0.000 0.000 0.247 271 V C 2.720 178.952 176.094 0.229 0.000 1.051 271 V CA 2.001 64.417 62.300 0.192 0.000 1.036 271 V CB -0.725 31.280 31.823 0.303 0.000 0.654 271 V HN 0.525 nan 8.190 nan 0.000 0.451 272 Q N -0.256 119.658 119.800 0.191 0.000 2.119 272 Q HA -0.201 4.139 4.340 0.000 0.000 0.201 272 Q C 2.251 178.332 176.000 0.135 0.000 0.972 272 Q CA 1.491 57.409 55.803 0.192 0.000 0.847 272 Q CB -0.389 28.514 28.738 0.276 0.000 0.903 272 Q HN 0.706 nan 8.270 nan 0.000 0.433 273 Q N -0.649 119.134 119.800 -0.029 0.000 2.124 273 Q HA -0.179 4.161 4.340 0.000 0.000 0.202 273 Q C 1.839 177.987 176.000 0.246 0.000 0.977 273 Q CA 1.335 57.142 55.803 0.007 0.000 0.850 273 Q CB -0.151 28.418 28.738 -0.282 0.000 0.901 273 Q HN 0.539 nan 8.270 nan 0.000 0.429 274 H N -0.034 119.143 119.070 0.179 0.000 2.357 274 H HA -0.042 4.514 4.556 0.000 0.000 0.301 274 H C 1.756 177.178 175.328 0.157 0.000 1.082 274 H CA 1.121 57.288 56.048 0.199 0.000 1.342 274 H CB -0.015 29.834 29.762 0.145 0.000 1.389 274 H HN 0.125 nan 8.280 nan 0.000 0.511 275 L N -0.274 121.105 121.223 0.261 0.000 2.362 275 L HA -0.109 4.231 4.340 0.000 0.000 0.219 275 L C 1.845 178.805 176.870 0.150 0.000 1.134 275 L CA 0.672 55.618 54.840 0.177 0.000 0.807 275 L CB -0.275 41.876 42.059 0.153 0.000 0.927 275 L HN 0.368 nan 8.230 nan 0.000 0.447 276 M N -1.206 118.509 119.600 0.191 0.000 2.476 276 M HA -0.050 4.430 4.480 0.000 0.000 0.262 276 M C 0.337 176.732 176.300 0.157 0.000 1.079 276 M CA 0.820 56.224 55.300 0.174 0.000 1.104 276 M CB 0.028 32.778 32.600 0.251 0.000 1.409 276 M HN 0.137 nan 8.290 nan 0.000 0.467 277 M N 1.179 120.857 119.600 0.132 0.000 2.146 277 M HA 0.168 4.648 4.480 0.000 0.000 0.357 277 M C 0.016 176.345 176.300 0.047 0.000 1.261 277 M CA -0.189 55.145 55.300 0.056 0.000 1.106 277 M CB 0.452 32.977 32.600 -0.125 0.000 1.612 277 M HN 0.066 nan 8.290 nan 0.000 0.470 278 E N 1.218 121.447 120.200 0.049 0.000 2.452 278 E HA 0.258 4.609 4.350 0.000 0.000 0.261 278 E C 1.070 177.688 176.600 0.029 0.000 0.987 278 E CA 1.203 57.625 56.400 0.036 0.000 0.926 278 E CB 0.385 30.108 29.700 0.038 0.000 0.934 278 E HN 0.906 nan 8.360 nan 0.000 0.452 279 G N 2.620 111.436 108.800 0.027 0.000 2.176 279 G HA2 -0.245 3.715 3.960 0.000 0.000 0.253 279 G HA3 -0.245 3.715 3.960 0.000 0.000 0.253 279 G C -0.064 174.855 174.900 0.032 0.000 0.979 279 G CA 0.123 45.237 45.100 0.024 0.000 0.641 279 G HN 0.507 nan 8.290 nan 0.000 0.530 280 V N 3.479 123.421 119.914 0.047 0.000 2.294 280 V HA 0.435 4.556 4.120 0.000 0.000 0.272 280 V C -1.378 174.759 176.094 0.073 0.000 1.027 280 V CA -1.360 60.983 62.300 0.072 0.000 0.823 280 V CB 1.358 33.245 31.823 0.107 0.000 1.030 280 V HN 0.286 nan 8.190 nan 0.000 0.457 281 P HA 0.149 nan 4.420 nan 0.000 0.276 281 P C 1.030 178.369 177.300 0.065 0.000 1.235 281 P CA -0.072 63.058 63.100 0.049 0.000 0.772 281 P CB 1.527 33.244 31.700 0.028 0.000 0.871 282 S N 3.191 118.928 115.700 0.062 0.000 2.402 282 S HA -0.225 4.245 4.470 0.000 0.000 0.233 282 S C 1.896 176.538 174.600 0.071 0.000 1.030 282 S CA 1.134 59.374 58.200 0.067 0.000 1.003 282 S CB -1.246 61.983 63.200 0.048 0.000 0.813 282 S HN 0.512 nan 8.310 nan 0.000 0.477 283 A N 1.532 124.389 122.820 0.061 0.000 2.125 283 A HA 0.012 4.333 4.320 0.000 0.000 0.219 283 A C 2.179 179.841 177.584 0.131 0.000 1.156 283 A CA 1.315 53.398 52.037 0.077 0.000 0.671 283 A CB -0.419 18.610 19.000 0.049 0.000 0.794 283 A HN 0.635 nan 8.150 nan 0.000 0.459 284 K N -0.863 119.603 120.400 0.109 0.000 2.352 284 K HA 0.267 4.588 4.320 0.000 0.000 0.194 284 K C -0.255 176.471 176.600 0.209 0.000 1.038 284 K CA -0.035 56.339 56.287 0.144 0.000 1.023 284 K CB 0.223 32.752 32.500 0.048 0.000 0.840 284 K HN 0.449 nan 8.250 nan 0.000 0.519 285 I N 2.186 122.839 120.570 0.138 0.000 2.452 285 I HA 0.027 4.198 4.170 0.000 0.000 0.287 285 I C -0.316 175.848 176.117 0.079 0.000 1.079 285 I CA -0.349 61.002 61.300 0.085 0.000 1.387 285 I CB 1.057 39.089 38.000 0.054 0.000 1.404 285 I HN -0.268 nan 8.210 nan 0.000 0.522 286 V N 7.757 127.700 119.914 0.047 0.000 2.417 286 V HA 0.304 4.424 4.120 0.000 0.000 0.291 286 V C 0.131 176.249 176.094 0.039 0.000 1.024 286 V CA -0.679 61.621 62.300 -0.001 0.000 0.861 286 V CB 1.811 33.573 31.823 -0.101 0.000 0.985 286 V HN 0.689 nan 8.190 nan 0.000 0.436 287 M N 4.461 124.108 119.600 0.078 0.000 2.146 287 M HA 0.503 4.984 4.480 0.000 0.000 0.352 287 M C 0.514 176.908 176.300 0.157 0.000 1.343 287 M CA -0.121 55.247 55.300 0.114 0.000 1.115 287 M CB 0.526 33.215 32.600 0.148 0.000 1.657 287 M HN 0.785 nan 8.290 nan 0.000 0.471 288 G N 4.144 113.072 108.800 0.213 0.000 2.420 288 G HA2 0.544 4.504 3.960 0.000 0.000 0.284 288 G HA3 0.544 4.504 3.960 0.000 0.000 0.284 288 G C -0.868 174.308 174.900 0.460 0.000 1.177 288 G CA -0.544 44.796 45.100 0.400 0.000 0.841 288 G HN 0.818 nan 8.290 nan 0.000 0.527 289 V N -0.487 119.608 119.914 0.302 0.000 2.925 289 V HA 0.875 4.995 4.120 0.000 0.000 0.311 289 V C -2.732 173.217 176.094 -0.241 0.000 1.104 289 V CA -2.683 59.681 62.300 0.106 0.000 0.954 289 V CB 2.656 34.499 31.823 0.034 0.000 1.022 289 V HN 0.652 nan 8.190 nan 0.000 0.427 290 P HA 0.453 nan 4.420 nan 0.000 0.292 290 P C -0.756 176.649 177.300 0.176 0.000 1.283 290 P CA -0.321 62.460 63.100 -0.533 0.000 0.835 290 P CB 1.552 32.608 31.700 -1.075 0.000 1.017 291 F N 2.036 122.008 119.950 0.037 0.000 2.660 291 F HA 0.217 4.745 4.527 0.000 0.000 0.297 291 F C 0.524 176.423 175.800 0.165 0.000 1.132 291 F CA -0.525 57.527 58.000 0.088 0.000 1.372 291 F CB -0.747 38.285 39.000 0.052 0.000 1.003 291 F HN 0.254 nan 8.300 nan 0.000 0.524 292 Y N -2.641 117.807 120.300 0.248 0.000 2.609 292 Y HA 0.858 5.409 4.550 0.000 0.000 0.342 292 Y C -0.053 175.953 175.900 0.177 0.000 1.058 292 Y CA -2.105 56.094 58.100 0.166 0.000 1.055 292 Y CB 0.859 39.411 38.460 0.153 0.000 1.292 292 Y HN -0.128 nan 8.280 nan 0.000 0.476 293 G N 1.082 110.032 108.800 0.251 0.000 2.489 293 G HA2 0.705 4.665 3.960 0.000 0.000 0.327 293 G HA3 0.705 4.665 3.960 0.000 0.000 0.327 293 G C -1.467 173.579 174.900 0.242 0.000 1.189 293 G CA -1.490 43.723 45.100 0.188 0.000 0.962 293 G HN 0.671 nan 8.290 nan 0.000 0.486 294 R N -0.376 120.236 120.500 0.186 0.000 2.562 294 R HA 0.658 4.999 4.340 0.000 0.000 0.298 294 R C -0.501 175.847 176.300 0.080 0.000 0.961 294 R CA -0.505 55.665 56.100 0.117 0.000 0.881 294 R CB 2.173 32.530 30.300 0.095 0.000 1.159 294 R HN 0.640 nan 8.270 nan 0.000 0.450 295 A N 2.954 125.773 122.820 -0.001 0.000 2.356 295 A HA 0.821 5.141 4.320 0.000 0.000 0.323 295 A C -1.284 176.409 177.584 0.181 0.000 1.119 295 A CA -0.518 51.645 52.037 0.209 0.000 0.790 295 A CB 0.843 19.981 19.000 0.230 0.000 1.273 295 A HN 0.534 nan 8.150 nan 0.000 0.452 296 F N 0.330 120.468 119.950 0.314 0.000 2.577 296 F HA 0.635 5.163 4.527 0.000 0.000 0.318 296 F C 0.416 176.171 175.800 -0.075 0.000 1.065 296 F CA -0.610 57.459 58.000 0.115 0.000 0.929 296 F CB 2.362 41.322 39.000 -0.065 0.000 1.237 296 F HN 0.708 nan 8.300 nan 0.000 0.468 297 K N -0.656 119.602 120.400 -0.236 0.000 2.350 297 K HA 0.807 5.127 4.320 0.000 0.000 0.241 297 K C 0.322 176.845 176.600 -0.129 0.000 0.994 297 K CA -0.697 55.323 56.287 -0.445 0.000 0.839 297 K CB 1.992 33.743 32.500 -1.249 0.000 1.244 297 K HN 0.954 nan 8.250 nan 0.000 0.443 298 G N -0.118 108.622 108.800 -0.100 0.000 2.147 298 G HA2 -0.241 3.720 3.960 0.000 0.000 0.244 298 G HA3 -0.241 3.720 3.960 0.000 0.000 0.244 298 G C 0.004 174.926 174.900 0.036 0.000 1.005 298 G CA 0.131 45.215 45.100 -0.027 0.000 0.713 298 G HN 1.011 nan 8.290 nan 0.000 0.515 299 V N -1.714 118.244 119.914 0.073 0.000 2.785 299 V HA 0.851 4.971 4.120 0.000 0.000 0.300 299 V C 0.754 176.893 176.094 0.074 0.000 1.062 299 V CA 0.072 62.408 62.300 0.060 0.000 1.029 299 V CB 1.571 33.430 31.823 0.061 0.000 1.024 299 V HN 0.469 nan 8.190 nan 0.000 0.477 300 S N 2.366 118.071 115.700 0.009 0.000 2.645 300 S HA 0.695 5.165 4.470 0.000 0.000 0.266 300 S C 0.534 175.140 174.600 0.011 0.000 1.258 300 S CA 0.104 58.311 58.200 0.013 0.000 0.990 300 S CB 1.304 64.484 63.200 -0.033 0.000 0.967 300 S HN 1.370 nan 8.310 nan 0.000 0.556 301 G N -1.076 107.742 108.800 0.030 0.000 2.583 301 G HA2 0.552 4.513 3.960 0.000 0.000 0.280 301 G HA3 0.552 4.513 3.960 0.000 0.000 0.280 301 G C 0.855 175.696 174.900 -0.098 0.000 1.376 301 G CA -0.110 44.982 45.100 -0.013 0.000 1.043 301 G HN 1.325 nan 8.290 nan 0.000 0.538 302 G N -0.658 108.080 108.800 -0.105 0.000 2.490 302 G HA2 -0.275 3.686 3.960 0.000 0.000 0.214 302 G HA3 -0.275 3.686 3.960 0.000 0.000 0.214 302 G C 0.692 175.523 174.900 -0.115 0.000 1.151 302 G CA 0.620 45.671 45.100 -0.081 0.000 0.684 302 G HN 0.935 nan 8.290 nan 0.000 0.518 303 N N 0.879 119.462 118.700 -0.196 0.000 2.553 303 N HA 0.432 5.172 4.740 0.000 0.000 0.298 303 N C 1.193 176.538 175.510 -0.276 0.000 1.596 303 N CA 0.644 53.578 53.050 -0.193 0.000 0.910 303 N CB -0.105 38.267 38.487 -0.191 0.000 1.336 303 N HN 1.397 nan 8.380 nan 0.000 0.497 304 G N 0.357 108.915 108.800 -0.404 0.000 2.258 304 G HA2 -0.296 3.665 3.960 0.000 0.000 0.274 304 G HA3 -0.296 3.665 3.960 0.000 0.000 0.274 304 G C 0.930 175.524 174.900 -0.510 0.000 1.021 304 G CA 0.485 45.252 45.100 -0.557 0.000 0.798 304 G HN 0.827 nan 8.290 nan 0.000 0.507 305 G N -2.051 106.370 108.800 -0.632 0.000 2.199 305 G HA2 -0.258 3.702 3.960 0.000 0.000 0.254 305 G HA3 -0.258 3.702 3.960 0.000 0.000 0.254 305 G C 0.389 174.739 174.900 -0.916 0.000 0.982 305 G CA 0.893 45.775 45.100 -0.363 0.000 0.632 305 G HN 1.174 nan 8.290 nan 0.000 0.529 306 Q N -0.600 118.606 119.800 -0.989 0.000 2.352 306 Q HA 0.453 4.793 4.340 0.000 0.000 0.260 306 Q C 0.419 175.773 176.000 -1.077 0.000 0.976 306 Q CA -0.392 54.508 55.803 -1.504 0.000 0.881 306 Q CB 0.298 28.032 28.738 -1.674 0.000 1.235 306 Q HN 0.655 nan 8.270 nan 0.000 0.419 307 Y N -1.255 118.639 120.300 -0.677 0.000 3.305 307 Y HA -0.260 4.290 4.550 0.000 0.000 0.212 307 Y C -0.012 175.679 175.900 -0.349 0.000 1.248 307 Y CA 0.698 58.540 58.100 -0.430 0.000 1.359 307 Y CB -2.333 35.949 38.460 -0.296 0.000 1.407 307 Y HN 0.483 nan 8.280 nan 0.000 0.572 308 S N -0.336 115.182 115.700 -0.304 0.000 2.607 308 S HA 0.821 5.292 4.470 0.000 0.000 0.303 308 S C 0.400 174.926 174.600 -0.122 0.000 1.086 308 S CA -0.126 57.951 58.200 -0.204 0.000 0.995 308 S CB 1.368 64.426 63.200 -0.236 0.000 1.084 308 S HN 0.584 nan 8.310 nan 0.000 0.507 309 S N 1.591 117.247 115.700 -0.073 0.000 2.606 309 S HA 0.553 5.023 4.470 0.000 0.000 0.257 309 S C -0.215 174.392 174.600 0.012 0.000 1.327 309 S CA 0.006 58.172 58.200 -0.055 0.000 0.984 309 S CB -0.058 63.092 63.200 -0.083 0.000 0.941 309 S HN 1.157 nan 8.310 nan 0.000 0.576 310 H N -2.953 116.094 119.070 -0.040 0.000 2.932 310 H HA 0.629 5.185 4.556 0.000 0.000 0.307 310 H C -0.717 174.614 175.328 0.005 0.000 1.391 310 H CA -0.456 55.586 56.048 -0.010 0.000 1.130 310 H CB 0.715 30.515 29.762 0.064 0.000 1.836 310 H HN 0.558 nan 8.280 nan 0.000 0.522 311 S N -0.483 115.244 115.700 0.045 0.000 2.711 311 S HA 0.259 4.729 4.470 0.000 0.000 0.247 311 S C -0.585 174.070 174.600 0.090 0.000 1.079 311 S CA -0.396 57.790 58.200 -0.022 0.000 1.050 311 S CB -0.648 62.520 63.200 -0.054 0.000 0.885 311 S HN 0.649 nan 8.310 nan 0.000 0.498 312 T N 4.667 119.455 114.554 0.390 0.000 2.780 312 T HA 0.427 4.777 4.350 0.000 0.000 0.294 312 T C -2.715 172.191 174.700 0.344 0.000 0.949 312 T CA -1.199 61.120 62.100 0.365 0.000 1.074 312 T CB 0.828 69.908 68.868 0.354 0.000 0.910 312 T HN 0.175 nan 8.240 nan 0.000 0.501 313 P HA 0.223 nan 4.420 nan 0.000 0.268 313 P C 0.826 178.307 177.300 0.301 0.000 1.205 313 P CA -0.113 63.146 63.100 0.265 0.000 0.771 313 P CB 0.492 32.338 31.700 0.243 0.000 0.858 314 G N 1.479 110.435 108.800 0.261 0.000 3.126 314 G HA2 0.022 3.983 3.960 0.000 0.000 0.224 314 G HA3 0.022 3.983 3.960 0.000 0.000 0.224 314 G C -0.008 175.067 174.900 0.291 0.000 1.142 314 G CA -0.038 45.248 45.100 0.311 0.000 0.759 314 G HN 0.408 nan 8.290 nan 0.000 0.550 315 E N 0.998 121.333 120.200 0.225 0.000 2.415 315 E HA 0.359 4.710 4.350 0.000 0.000 0.262 315 E C -0.733 175.994 176.600 0.212 0.000 1.038 315 E CA 0.099 56.608 56.400 0.182 0.000 0.921 315 E CB 1.008 30.779 29.700 0.118 0.000 0.950 315 E HN 0.041 nan 8.360 nan 0.000 0.438 316 D N 2.117 122.632 120.400 0.191 0.000 2.593 316 D HA 0.288 4.928 4.640 0.000 0.000 0.251 316 D C -2.218 174.182 176.300 0.167 0.000 1.140 316 D CA -1.876 52.252 54.000 0.213 0.000 0.855 316 D CB 0.918 41.877 40.800 0.265 0.000 1.267 316 D HN 0.228 nan 8.370 nan 0.000 0.532 317 P HA 0.152 nan 4.420 nan 0.000 0.274 317 P C -0.416 177.000 177.300 0.193 0.000 1.256 317 P CA -0.484 62.708 63.100 0.152 0.000 0.795 317 P CB 0.355 32.114 31.700 0.098 0.000 1.038 318 Y N 2.893 123.251 120.300 0.097 0.000 2.729 318 Y HA 0.007 4.557 4.550 0.000 0.000 0.331 318 Y C -0.959 175.007 175.900 0.111 0.000 1.208 318 Y CA -1.515 56.655 58.100 0.117 0.000 1.521 318 Y CB -0.013 38.518 38.460 0.118 0.000 1.233 318 Y HN 0.286 nan 8.280 nan 0.000 0.539 319 P HA -0.055 nan 4.420 nan 0.000 0.237 319 P C -0.024 177.068 177.300 -0.348 0.000 1.178 319 P CA 0.729 63.671 63.100 -0.263 0.000 0.766 319 P CB 0.448 32.048 31.700 -0.167 0.000 0.876 320 S N -1.914 113.364 115.700 -0.703 0.000 2.745 320 S HA 0.459 4.929 4.470 0.000 0.000 0.306 320 S C 0.567 175.059 174.600 -0.179 0.000 1.137 320 S CA -0.309 57.647 58.200 -0.407 0.000 0.900 320 S CB 1.429 64.403 63.200 -0.377 0.000 1.176 320 S HN -0.184 nan 8.310 nan 0.000 0.520 321 T N 1.029 115.476 114.554 -0.179 0.000 3.054 321 T HA 0.255 4.605 4.350 0.000 0.000 0.255 321 T C -0.475 173.784 174.700 -0.736 0.000 1.035 321 T CA -0.110 61.751 62.100 -0.397 0.000 0.941 321 T CB -0.328 68.415 68.868 -0.208 0.000 1.026 321 T HN 0.583 nan 8.240 nan 0.000 0.533 322 D N 1.628 121.868 120.400 -0.266 0.000 2.402 322 D HA 0.034 4.674 4.640 0.000 0.000 0.235 322 D C -0.967 175.287 176.300 -0.078 0.000 1.226 322 D CA -0.363 53.585 54.000 -0.087 0.000 0.918 322 D CB -0.064 40.866 40.800 0.216 0.000 1.043 322 D HN 0.220 nan 8.370 nan 0.000 0.506 323 Y N 4.617 124.927 120.300 0.016 0.000 2.714 323 Y HA 0.139 4.689 4.550 0.000 0.000 0.333 323 Y C 0.935 176.720 175.900 -0.191 0.000 1.220 323 Y CA -1.237 56.717 58.100 -0.243 0.000 1.513 323 Y CB -0.365 37.983 38.460 -0.185 0.000 1.435 323 Y HN 0.507 nan 8.280 nan 0.000 0.489 324 W N 0.996 122.353 121.300 0.094 0.000 3.180 324 W HA 0.181 4.841 4.660 0.000 0.000 0.254 324 W C -0.537 175.980 176.519 -0.004 0.000 1.318 324 W CA -0.448 56.917 57.345 0.035 0.000 1.608 324 W CB -0.024 29.462 29.460 0.043 0.000 1.124 324 W HN 0.305 nan 8.180 nan 0.000 0.694 325 L N 3.194 124.366 121.223 -0.084 0.000 2.385 325 L HA 0.235 4.576 4.340 0.000 0.000 0.285 325 L C 0.338 177.222 176.870 0.024 0.000 1.125 325 L CA -0.711 54.151 54.840 0.037 0.000 0.890 325 L CB 0.266 42.185 42.059 -0.235 0.000 1.251 325 L HN -0.192 nan 8.230 nan 0.000 0.445 326 V N 6.288 126.253 119.914 0.086 0.000 2.644 326 V HA 0.135 4.256 4.120 0.000 0.000 0.303 326 V C 1.615 177.627 176.094 -0.136 0.000 1.058 326 V CA 1.282 63.581 62.300 -0.001 0.000 1.228 326 V CB -0.336 31.446 31.823 -0.068 0.000 0.861 326 V HN 1.097 nan 8.190 nan 0.000 0.484 327 G N 3.138 111.716 108.800 -0.369 0.000 2.184 327 G HA2 -0.295 3.665 3.960 0.000 0.000 0.264 327 G HA3 -0.295 3.665 3.960 0.000 0.000 0.264 327 G C 0.451 175.050 174.900 -0.502 0.000 0.975 327 G CA 0.035 44.630 45.100 -0.841 0.000 0.642 327 G HN 1.071 nan 8.290 nan 0.000 0.536 328 C N 1.431 120.544 119.300 -0.310 0.000 2.192 328 C HA 0.627 5.087 4.460 0.000 0.000 0.337 328 C C 1.739 176.599 174.990 -0.218 0.000 1.103 328 C CA 0.071 58.929 59.018 -0.266 0.000 1.581 328 C CB -0.801 26.781 27.740 -0.262 0.000 2.070 328 C HN 0.553 nan 8.230 nan 0.000 0.485 329 E N 1.684 121.774 120.200 -0.184 0.000 2.112 329 E HA -0.180 4.170 4.350 0.000 0.000 0.190 329 E C 2.051 178.560 176.600 -0.153 0.000 0.979 329 E CA 1.330 57.647 56.400 -0.139 0.000 0.814 329 E CB 0.094 29.740 29.700 -0.090 0.000 0.762 329 E HN 0.949 nan 8.360 nan 0.000 0.460 330 E N 0.641 120.750 120.200 -0.152 0.000 2.204 330 E HA -0.173 4.177 4.350 0.000 0.000 0.194 330 E C 1.839 178.316 176.600 -0.204 0.000 0.989 330 E CA 1.169 57.484 56.400 -0.142 0.000 0.824 330 E CB -0.254 29.380 29.700 -0.111 0.000 0.756 330 E HN 0.170 nan 8.360 nan 0.000 0.477 331 C N 0.686 119.829 119.300 -0.261 0.000 2.422 331 C HA -0.052 4.408 4.460 0.000 0.000 0.279 331 C C 2.649 177.310 174.990 -0.549 0.000 1.305 331 C CA 0.514 59.309 59.018 -0.371 0.000 1.757 331 C CB -0.672 26.827 27.740 -0.401 0.000 1.962 331 C HN 0.389 nan 8.230 nan 0.000 0.499 332 V N 0.962 120.593 119.914 -0.473 0.000 2.307 332 V HA -0.199 3.921 4.120 0.000 0.000 0.245 332 V C 2.702 178.536 176.094 -0.432 0.000 1.045 332 V CA 2.021 63.972 62.300 -0.582 0.000 1.024 332 V CB -0.764 30.927 31.823 -0.221 0.000 0.651 332 V HN 0.505 nan 8.190 nan 0.000 0.449 333 R N 0.409 120.757 120.500 -0.253 0.000 2.096 333 R HA -0.204 4.137 4.340 0.000 0.000 0.240 333 R C 1.483 177.685 176.300 -0.164 0.000 1.139 333 R CA 2.193 58.198 56.100 -0.159 0.000 0.952 333 R CB -0.297 29.942 30.300 -0.102 0.000 0.854 333 R HN 0.495 nan 8.270 nan 0.000 0.436 334 D N 0.478 120.757 120.400 -0.201 0.000 2.328 334 D HA 0.030 4.670 4.640 0.000 0.000 0.221 334 D C -0.217 175.961 176.300 -0.203 0.000 1.072 334 D CA 0.205 54.113 54.000 -0.154 0.000 0.850 334 D CB 0.238 40.972 40.800 -0.110 0.000 0.922 334 D HN 0.191 nan 8.370 nan 0.000 0.516 335 K N 1.207 121.378 120.400 -0.383 0.000 3.156 335 K HA -0.188 4.133 4.320 0.000 0.000 0.266 335 K C -0.534 175.945 176.600 -0.201 0.000 0.966 335 K CA 0.577 56.604 56.287 -0.433 0.000 0.719 335 K CB -1.058 31.438 32.500 -0.007 0.000 1.333 335 K HN 0.120 nan 8.250 nan 0.000 0.468 336 D N -0.779 119.359 120.400 -0.436 0.000 2.688 336 D HA 0.097 4.737 4.640 0.000 0.000 0.210 336 D C -2.427 173.499 176.300 -0.624 0.000 1.333 336 D CA -1.469 52.248 54.000 -0.472 0.000 0.920 336 D CB 1.601 42.272 40.800 -0.214 0.000 1.554 336 D HN -0.124 nan 8.370 nan 0.000 0.579 337 P HA 0.165 nan 4.420 nan 0.000 0.255 337 P C 0.599 177.363 177.300 -0.894 0.000 1.248 337 P CA -0.007 62.480 63.100 -1.021 0.000 0.807 337 P CB 0.440 31.111 31.700 -1.715 0.000 1.150 338 R N -0.559 119.597 120.500 -0.573 0.000 2.317 338 R HA 0.240 4.580 4.340 0.000 0.000 0.208 338 R C 0.421 176.644 176.300 -0.129 0.000 0.914 338 R CA 0.268 56.221 56.100 -0.245 0.000 1.060 338 R CB 0.256 30.497 30.300 -0.098 0.000 1.015 338 R HN 0.153 nan 8.270 nan 0.000 0.498 339 I N 0.129 120.613 120.570 -0.143 0.000 2.619 339 I HA 0.504 4.674 4.170 0.000 0.000 0.292 339 I C -0.892 175.183 176.117 -0.069 0.000 1.100 339 I CA -1.274 60.008 61.300 -0.029 0.000 1.043 339 I CB 1.871 39.854 38.000 -0.028 0.000 1.239 339 I HN -0.129 nan 8.210 nan 0.000 0.420 340 A N 3.757 126.578 122.820 0.001 0.000 2.459 340 A HA 0.674 4.994 4.320 0.000 0.000 0.296 340 A C -0.106 177.485 177.584 0.011 0.000 1.039 340 A CA -0.508 51.490 52.037 -0.066 0.000 0.698 340 A CB 1.460 20.358 19.000 -0.169 0.000 1.261 340 A HN 0.792 nan 8.150 nan 0.000 0.405 341 S N 1.479 117.173 115.700 -0.011 0.000 2.576 341 S HA 0.141 4.611 4.470 0.000 0.000 0.272 341 S C 0.884 175.462 174.600 -0.037 0.000 1.352 341 S CA 0.499 58.717 58.200 0.029 0.000 1.021 341 S CB 0.060 63.235 63.200 -0.042 0.000 0.887 341 S HN 1.284 nan 8.310 nan 0.000 0.542 342 Y N 2.403 122.656 120.300 -0.079 0.000 2.207 342 Y HA -0.176 4.374 4.550 0.000 0.000 0.287 342 Y C 2.686 178.476 175.900 -0.183 0.000 1.156 342 Y CA 2.075 60.077 58.100 -0.164 0.000 1.182 342 Y CB -0.338 38.004 38.460 -0.197 0.000 0.979 342 Y HN 0.839 nan 8.280 nan 0.000 0.521 343 R N 0.058 120.463 120.500 -0.159 0.000 2.096 343 R HA -0.300 4.040 4.340 0.000 0.000 0.240 343 R C 2.338 178.474 176.300 -0.274 0.000 1.139 343 R CA 2.225 58.207 56.100 -0.197 0.000 0.952 343 R CB -0.432 29.826 30.300 -0.070 0.000 0.854 343 R HN 0.432 nan 8.270 nan 0.000 0.436 344 Q N 0.611 120.270 119.800 -0.236 0.000 2.079 344 Q HA -0.060 4.281 4.340 0.000 0.000 0.200 344 Q C 2.117 177.914 176.000 -0.338 0.000 0.974 344 Q CA 1.569 57.228 55.803 -0.240 0.000 0.840 344 Q CB -0.204 28.414 28.738 -0.201 0.000 0.898 344 Q HN 0.495 nan 8.270 nan 0.000 0.430 345 L N 0.252 121.207 121.223 -0.447 0.000 2.046 345 L HA -0.161 4.180 4.340 0.000 0.000 0.208 345 L C 2.527 179.065 176.870 -0.554 0.000 1.077 345 L CA 1.768 56.262 54.840 -0.577 0.000 0.747 345 L CB -0.552 41.044 42.059 -0.771 0.000 0.896 345 L HN 0.415 nan 8.230 nan 0.000 0.432 346 E N 0.144 119.961 120.200 -0.638 0.000 2.077 346 E HA -0.275 4.076 4.350 0.000 0.000 0.193 346 E C 2.177 178.618 176.600 -0.265 0.000 0.989 346 E CA 1.317 57.413 56.400 -0.507 0.000 0.800 346 E CB 0.049 29.371 29.700 -0.630 0.000 0.746 346 E HN 0.526 nan 8.360 nan 0.000 0.452 347 Q N -0.339 119.329 119.800 -0.220 0.000 2.119 347 Q HA -0.138 4.202 4.340 0.000 0.000 0.201 347 Q C 2.209 178.219 176.000 0.018 0.000 0.972 347 Q CA 1.593 57.347 55.803 -0.083 0.000 0.847 347 Q CB -0.042 28.655 28.738 -0.068 0.000 0.903 347 Q HN 0.383 nan 8.270 nan 0.000 0.433 348 M N -0.008 119.541 119.600 -0.085 0.000 2.175 348 M HA -0.160 4.320 4.480 0.000 0.000 0.264 348 M C 2.005 178.408 176.300 0.172 0.000 1.063 348 M CA 1.254 56.570 55.300 0.026 0.000 1.119 348 M CB -0.079 32.285 32.600 -0.393 0.000 1.377 348 M HN 0.213 nan 8.290 nan 0.000 0.415 349 L N -0.295 120.905 121.223 -0.038 0.000 2.141 349 L HA -0.211 4.130 4.340 0.000 0.000 0.209 349 L C 2.168 179.065 176.870 0.044 0.000 1.094 349 L CA 1.336 56.184 54.840 0.013 0.000 0.763 349 L CB -0.269 41.745 42.059 -0.075 0.000 0.908 349 L HN 0.395 nan 8.230 nan 0.000 0.437 350 Q N -1.081 118.731 119.800 0.019 0.000 2.451 350 Q HA -0.003 4.337 4.340 0.000 0.000 0.206 350 Q C 1.305 177.300 176.000 -0.009 0.000 0.947 350 Q CA 0.680 56.485 55.803 0.003 0.000 0.937 350 Q CB 0.181 28.911 28.738 -0.014 0.000 1.025 350 Q HN 0.450 nan 8.270 nan 0.000 0.511 351 G N 0.324 109.134 108.800 0.016 0.000 3.936 351 G HA2 0.129 4.089 3.960 0.000 0.000 0.296 351 G HA3 0.129 4.089 3.960 0.000 0.000 0.296 351 G C -0.462 174.095 174.900 -0.573 0.000 1.121 351 G CA -0.576 44.370 45.100 -0.257 0.000 0.899 351 G HN 0.365 nan 8.290 nan 0.000 0.542 352 N N -0.927 117.615 118.700 -0.263 0.000 2.740 352 N HA -0.232 4.509 4.740 0.000 0.000 0.248 352 N C -0.048 175.292 175.510 -0.283 0.000 1.062 352 N CA 0.330 53.235 53.050 -0.241 0.000 0.704 352 N CB -0.817 37.523 38.487 -0.245 0.000 0.968 352 N HN 0.477 nan 8.380 nan 0.000 0.547 353 Y N -0.800 119.548 120.300 0.080 0.000 2.458 353 Y HA 0.298 4.848 4.550 0.000 0.000 0.256 353 Y C 1.892 177.771 175.900 -0.035 0.000 1.159 353 Y CA 0.654 58.817 58.100 0.106 0.000 1.261 353 Y CB 0.782 39.419 38.460 0.294 0.000 1.119 353 Y HN 0.341 nan 8.280 nan 0.000 0.524 354 G N -1.309 107.456 108.800 -0.060 0.000 2.179 354 G HA2 -0.273 3.687 3.960 0.000 0.000 0.220 354 G HA3 -0.273 3.687 3.960 0.000 0.000 0.220 354 G C -0.258 174.262 174.900 -0.632 0.000 0.990 354 G CA -0.557 44.259 45.100 -0.474 0.000 0.646 354 G HN 0.231 nan 8.290 nan 0.000 0.517 355 Y N 0.561 120.835 120.300 -0.044 0.000 2.304 355 Y HA 0.632 5.182 4.550 0.000 0.000 0.327 355 Y C 0.866 176.745 175.900 -0.035 0.000 1.209 355 Y CA -0.102 57.993 58.100 -0.008 0.000 1.299 355 Y CB 1.028 39.535 38.460 0.078 0.000 1.249 355 Y HN 0.181 nan 8.280 nan 0.000 0.519 356 Q N 2.653 122.548 119.800 0.158 0.000 2.325 356 Q HA 0.322 4.662 4.340 0.000 0.000 0.270 356 Q C -0.887 175.181 176.000 0.113 0.000 1.020 356 Q CA -1.034 54.832 55.803 0.105 0.000 0.785 356 Q CB 1.376 30.178 28.738 0.107 0.000 1.259 356 Q HN 0.658 nan 8.270 nan 0.000 0.452 357 R N 4.720 125.265 120.500 0.074 0.000 2.234 357 R HA 0.427 4.768 4.340 0.000 0.000 0.324 357 R C -1.181 175.096 176.300 -0.038 0.000 1.054 357 R CA -0.008 56.126 56.100 0.056 0.000 0.912 357 R CB 0.328 30.689 30.300 0.102 0.000 1.030 357 R HN 0.564 nan 8.270 nan 0.000 0.455 358 L N 3.540 124.606 121.223 -0.262 0.000 2.286 358 L HA 0.613 4.953 4.340 0.000 0.000 0.265 358 L C -0.737 175.974 176.870 -0.265 0.000 1.012 358 L CA -1.035 53.566 54.840 -0.400 0.000 0.818 358 L CB 1.915 43.459 42.059 -0.857 0.000 1.337 358 L HN 0.637 nan 8.230 nan 0.000 0.438 359 W N 1.853 123.039 121.300 -0.189 0.000 2.839 359 W HA 0.331 4.992 4.660 0.000 0.000 0.334 359 W C -1.571 175.058 176.519 0.183 0.000 1.064 359 W CA -0.549 56.806 57.345 0.016 0.000 1.236 359 W CB 1.976 31.427 29.460 -0.015 0.000 1.405 359 W HN 0.446 nan 8.180 nan 0.000 0.478 360 N N 3.761 122.205 118.700 -0.427 0.000 2.437 360 N HA 0.044 4.784 4.740 0.000 0.000 0.259 360 N C -0.111 174.970 175.510 -0.715 0.000 0.983 360 N CA 0.189 53.026 53.050 -0.356 0.000 0.937 360 N CB 1.401 39.624 38.487 -0.441 0.000 1.122 360 N HN 0.467 nan 8.380 nan 0.000 0.499 361 D N 2.370 122.624 120.400 -0.244 0.000 2.349 361 D HA 0.067 4.708 4.640 0.000 0.000 0.224 361 D C 1.057 177.294 176.300 -0.105 0.000 1.029 361 D CA 0.766 54.725 54.000 -0.068 0.000 0.879 361 D CB 0.589 41.517 40.800 0.215 0.000 0.906 361 D HN 0.398 nan 8.370 nan 0.000 0.528 362 K N -0.930 119.385 120.400 -0.142 0.000 2.121 362 K HA 0.025 4.345 4.320 0.000 0.000 0.203 362 K C 2.084 178.631 176.600 -0.087 0.000 1.041 362 K CA 1.290 57.536 56.287 -0.067 0.000 0.969 362 K CB -0.678 31.804 32.500 -0.031 0.000 0.799 362 K HN 0.247 nan 8.250 nan 0.000 0.456 363 T N -0.548 113.854 114.554 -0.253 0.000 3.055 363 T HA 0.021 4.372 4.350 0.000 0.000 0.265 363 T C 0.480 174.924 174.700 -0.427 0.000 1.111 363 T CA 0.190 62.105 62.100 -0.309 0.000 1.118 363 T CB -0.028 68.534 68.868 -0.511 0.000 0.909 363 T HN 0.012 nan 8.240 nan 0.000 0.501 364 K N 2.153 122.176 120.400 -0.628 0.000 3.125 364 K HA -0.118 4.203 4.320 0.000 0.000 0.268 364 K C -0.023 175.973 176.600 -1.008 0.000 1.078 364 K CA 1.239 57.029 56.287 -0.829 0.000 0.775 364 K CB -2.794 29.365 32.500 -0.568 0.000 1.253 364 K HN 0.894 nan 8.250 nan 0.000 0.486 365 T N -2.431 111.339 114.554 -1.306 0.000 2.903 365 T HA 0.718 5.068 4.350 0.000 0.000 0.299 365 T C -2.938 171.288 174.700 -0.790 0.000 1.093 365 T CA -1.774 59.806 62.100 -0.867 0.000 1.002 365 T CB 3.780 72.380 68.868 -0.446 0.000 1.127 365 T HN -0.156 nan 8.240 nan 0.000 0.488 366 P HA 0.574 nan 4.420 nan 0.000 0.283 366 P C -1.683 175.588 177.300 -0.047 0.000 1.278 366 P CA -0.543 62.479 63.100 -0.130 0.000 0.834 366 P CB 0.771 32.310 31.700 -0.269 0.000 1.150 367 Y N -2.226 118.080 120.300 0.009 0.000 2.641 367 Y HA 0.612 5.162 4.550 0.000 0.000 0.333 367 Y C -1.832 174.209 175.900 0.235 0.000 1.174 367 Y CA -1.401 56.749 58.100 0.082 0.000 1.057 367 Y CB 0.472 38.907 38.460 -0.042 0.000 1.322 367 Y HN 0.097 nan 8.280 nan 0.000 0.457 368 L N 2.969 124.330 121.223 0.230 0.000 2.325 368 L HA 0.542 4.882 4.340 0.000 0.000 0.278 368 L C -1.361 175.742 176.870 0.388 0.000 1.023 368 L CA -1.127 53.843 54.840 0.217 0.000 0.811 368 L CB 1.873 44.001 42.059 0.116 0.000 1.249 368 L HN 0.772 nan 8.230 nan 0.000 0.431 369 Y N 2.229 122.694 120.300 0.274 0.000 2.361 369 Y HA 0.346 4.896 4.550 0.000 0.000 0.337 369 Y C -0.866 175.197 175.900 0.272 0.000 0.965 369 Y CA -0.933 57.364 58.100 0.328 0.000 1.091 369 Y CB 1.117 39.748 38.460 0.285 0.000 1.182 369 Y HN 0.490 nan 8.280 nan 0.000 0.450 370 H N 6.173 125.033 119.070 -0.351 0.000 2.691 370 H HA 0.492 5.048 4.556 0.000 0.000 0.281 370 H C 0.231 175.064 175.328 -0.825 0.000 1.121 370 H CA 0.533 56.274 56.048 -0.512 0.000 1.254 370 H CB 1.436 30.961 29.762 -0.394 0.000 1.390 370 H HN 0.981 nan 8.280 nan 0.000 0.491 371 A N 3.842 126.042 122.820 -1.035 0.000 1.933 371 A HA -0.215 4.105 4.320 0.000 0.000 0.218 371 A C 2.250 179.694 177.584 -0.233 0.000 1.175 371 A CA 1.653 53.260 52.037 -0.718 0.000 0.628 371 A CB -0.214 18.585 19.000 -0.336 0.000 0.814 371 A HN 0.729 nan 8.150 nan 0.000 0.444 372 Q N -0.325 119.345 119.800 -0.215 0.000 2.020 372 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 372 Q C 0.895 176.959 176.000 0.108 0.000 0.982 372 Q CA 2.036 57.825 55.803 -0.024 0.000 0.838 372 Q CB -0.041 28.672 28.738 -0.043 0.000 0.899 372 Q HN 0.665 nan 8.270 nan 0.000 0.423 373 N N -1.351 117.515 118.700 0.276 0.000 2.203 373 N HA 0.197 4.937 4.740 0.000 0.000 0.207 373 N C -0.445 175.077 175.510 0.020 0.000 1.130 373 N CA 0.759 53.839 53.050 0.050 0.000 0.861 373 N CB 1.308 39.696 38.487 -0.165 0.000 1.005 373 N HN 0.320 nan 8.380 nan 0.000 0.507 374 G N 1.043 109.880 108.800 0.062 0.000 2.333 374 G HA2 -0.249 3.711 3.960 0.000 0.000 0.296 374 G HA3 -0.249 3.711 3.960 0.000 0.000 0.296 374 G C -0.491 174.489 174.900 0.134 0.000 1.059 374 G CA 0.030 45.194 45.100 0.106 0.000 1.050 374 G HN 0.248 nan 8.290 nan 0.000 0.508 375 L N -0.882 120.450 121.223 0.182 0.000 2.334 375 L HA 0.895 5.235 4.340 0.000 0.000 0.273 375 L C -0.127 177.046 176.870 0.506 0.000 1.013 375 L CA -1.307 53.708 54.840 0.293 0.000 0.816 375 L CB 1.951 44.180 42.059 0.282 0.000 1.278 375 L HN 0.194 nan 8.230 nan 0.000 0.431 376 F N 2.191 122.350 119.950 0.348 0.000 2.561 376 F HA 0.708 5.235 4.527 0.000 0.000 0.313 376 F C -1.367 174.666 175.800 0.388 0.000 1.126 376 F CA -0.616 57.589 58.000 0.342 0.000 0.918 376 F CB 1.753 40.813 39.000 0.100 0.000 1.199 376 F HN 0.033 nan 8.300 nan 0.000 0.444 377 V N 4.363 124.042 119.914 -0.393 0.000 2.577 377 V HA 0.461 4.581 4.120 0.000 0.000 0.303 377 V C -0.462 175.369 176.094 -0.437 0.000 1.042 377 V CA -0.703 61.453 62.300 -0.240 0.000 0.872 377 V CB 1.758 33.536 31.823 -0.076 0.000 0.998 377 V HN 0.860 nan 8.190 nan 0.000 0.423 378 T N 5.230 119.651 114.554 -0.223 0.000 2.794 378 T HA 0.776 5.126 4.350 0.000 0.000 0.280 378 T C -0.914 173.910 174.700 0.208 0.000 0.987 378 T CA -0.161 61.917 62.100 -0.037 0.000 0.993 378 T CB 0.583 69.499 68.868 0.080 0.000 0.939 378 T HN 0.844 nan 8.240 nan 0.000 0.449 379 Y N 1.433 121.732 120.300 -0.002 0.000 2.853 379 Y HA 0.789 5.339 4.550 0.000 0.000 0.326 379 Y C -1.657 174.237 175.900 -0.010 0.000 1.384 379 Y CA -1.567 56.523 58.100 -0.017 0.000 1.077 379 Y CB 0.424 38.877 38.460 -0.012 0.000 1.395 379 Y HN 0.490 nan 8.280 nan 0.000 0.451 380 D N 0.355 120.685 120.400 -0.116 0.000 2.419 380 D HA 0.535 5.175 4.640 0.000 0.000 0.234 380 D C -1.379 174.634 176.300 -0.479 0.000 1.014 380 D CA -0.106 53.695 54.000 -0.332 0.000 0.919 380 D CB 1.889 42.617 40.800 -0.120 0.000 1.366 380 D HN 0.719 nan 8.370 nan 0.000 0.490 381 D N -1.018 118.948 120.400 -0.723 0.000 2.812 381 D HA 0.412 5.052 4.640 0.000 0.000 0.318 381 D C 0.295 176.031 176.300 -0.939 0.000 1.234 381 D CA -0.809 52.726 54.000 -0.775 0.000 0.989 381 D CB 0.308 41.039 40.800 -0.116 0.000 1.442 381 D HN 0.272 nan 8.370 nan 0.000 0.537 382 A N -0.657 121.807 122.820 -0.594 0.000 2.070 382 A HA -0.143 4.177 4.320 0.000 0.000 0.220 382 A C 1.836 179.418 177.584 -0.003 0.000 1.159 382 A CA 2.134 54.014 52.037 -0.261 0.000 0.656 382 A CB -0.824 18.079 19.000 -0.161 0.000 0.800 382 A HN 0.561 nan 8.150 nan 0.000 0.453 383 E N 0.525 120.698 120.200 -0.045 0.000 2.033 383 E HA -0.104 4.246 4.350 0.000 0.000 0.189 383 E C 2.312 179.101 176.600 0.315 0.000 0.979 383 E CA 1.586 58.005 56.400 0.031 0.000 0.802 383 E CB -0.287 29.325 29.700 -0.147 0.000 0.763 383 E HN 0.630 nan 8.360 nan 0.000 0.449 384 S N -0.075 115.863 115.700 0.397 0.000 2.399 384 S HA -0.135 4.336 4.470 0.000 0.000 0.231 384 S C 1.804 176.693 174.600 0.482 0.000 1.022 384 S CA 0.827 59.329 58.200 0.502 0.000 0.983 384 S CB -0.589 62.704 63.200 0.155 0.000 0.803 384 S HN 0.181 nan 8.310 nan 0.000 0.480 385 F N 2.438 122.483 119.950 0.159 0.000 2.293 385 F HA 0.185 4.712 4.527 0.000 0.000 0.300 385 F C 2.254 178.088 175.800 0.057 0.000 1.086 385 F CA -0.038 58.045 58.000 0.139 0.000 1.375 385 F CB -0.758 38.318 39.000 0.127 0.000 1.045 385 F HN 0.270 nan 8.300 nan 0.000 0.516 386 K N -0.636 119.740 120.400 -0.040 0.000 2.026 386 K HA -0.203 4.117 4.320 0.000 0.000 0.208 386 K C 2.001 178.393 176.600 -0.348 0.000 1.048 386 K CA 1.808 57.689 56.287 -0.677 0.000 0.929 386 K CB -0.558 31.444 32.500 -0.830 0.000 0.713 386 K HN 0.221 nan 8.250 nan 0.000 0.439 387 Y N 1.376 121.730 120.300 0.089 0.000 2.181 387 Y HA -0.153 4.398 4.550 0.000 0.000 0.288 387 Y C 2.211 178.208 175.900 0.162 0.000 1.146 387 Y CA 1.214 59.406 58.100 0.153 0.000 1.164 387 Y CB -0.207 38.362 38.460 0.182 0.000 0.982 387 Y HN -0.030 nan 8.280 nan 0.000 0.515 388 K N -0.190 120.378 120.400 0.280 0.000 2.097 388 K HA -0.096 4.224 4.320 0.000 0.000 0.205 388 K C 2.358 179.118 176.600 0.267 0.000 1.050 388 K CA 0.985 57.402 56.287 0.217 0.000 0.938 388 K CB -0.300 32.308 32.500 0.180 0.000 0.718 388 K HN 0.285 nan 8.250 nan 0.000 0.442 389 A N 1.661 124.598 122.820 0.195 0.000 1.930 389 A HA -0.180 4.141 4.320 0.000 0.000 0.217 389 A C 2.026 179.805 177.584 0.324 0.000 1.175 389 A CA 1.480 53.645 52.037 0.213 0.000 0.627 389 A CB -0.277 18.689 19.000 -0.057 0.000 0.815 389 A HN 0.194 nan 8.150 nan 0.000 0.443 390 K N -1.826 118.710 120.400 0.226 0.000 2.097 390 K HA -0.178 4.143 4.320 0.000 0.000 0.205 390 K C 1.878 178.647 176.600 0.282 0.000 1.050 390 K CA 1.530 57.955 56.287 0.230 0.000 0.938 390 K CB -0.376 32.225 32.500 0.169 0.000 0.718 390 K HN 0.503 nan 8.250 nan 0.000 0.442 391 Y N 1.300 121.721 120.300 0.201 0.000 2.145 391 Y HA -0.210 4.341 4.550 0.001 0.000 0.286 391 Y C 1.783 177.789 175.900 0.178 0.000 1.145 391 Y CA 1.806 60.022 58.100 0.193 0.000 1.148 391 Y CB -0.105 38.439 38.460 0.140 0.000 0.981 391 Y HN 0.009 nan 8.280 nan 0.000 0.507 392 I N 0.203 120.999 120.570 0.376 0.000 2.163 392 I HA -0.382 3.788 4.170 0.000 0.000 0.243 392 I C 2.328 178.533 176.117 0.146 0.000 1.085 392 I CA 1.827 63.287 61.300 0.267 0.000 1.347 392 I CB -0.364 37.859 38.000 0.371 0.000 1.044 392 I HN 0.211 nan 8.210 nan 0.000 0.408 393 K N 0.140 120.663 120.400 0.205 0.000 2.025 393 K HA -0.175 4.145 4.320 0.000 0.000 0.207 393 K C 2.183 178.821 176.600 0.064 0.000 1.049 393 K CA 1.242 57.610 56.287 0.136 0.000 0.933 393 K CB -0.184 32.437 32.500 0.201 0.000 0.714 393 K HN 0.370 nan 8.250 nan 0.000 0.438 394 Q N 0.388 120.218 119.800 0.049 0.000 2.084 394 Q HA -0.142 4.198 4.340 0.000 0.000 0.202 394 Q C 1.802 177.761 176.000 -0.069 0.000 0.978 394 Q CA 1.068 56.869 55.803 -0.003 0.000 0.844 394 Q CB 0.139 28.877 28.738 0.000 0.000 0.898 394 Q HN 0.229 nan 8.270 nan 0.000 0.426 395 Q N 0.096 119.800 119.800 -0.161 0.000 2.403 395 Q HA 0.000 4.341 4.340 0.000 0.000 0.203 395 Q C -0.250 175.715 176.000 -0.059 0.000 0.932 395 Q CA 0.276 55.974 55.803 -0.175 0.000 0.945 395 Q CB 0.528 29.040 28.738 -0.376 0.000 1.045 395 Q HN 0.399 nan 8.270 nan 0.000 0.511 396 Q N 0.374 120.160 119.800 -0.023 0.000 2.468 396 Q HA -0.194 4.147 4.340 0.000 0.000 0.289 396 Q C -0.552 175.457 176.000 0.015 0.000 1.299 396 Q CA 0.239 56.044 55.803 0.003 0.000 0.838 396 Q CB -1.928 26.814 28.738 0.007 0.000 1.195 396 Q HN 0.360 nan 8.270 nan 0.000 0.456 397 L N -1.563 119.672 121.223 0.020 0.000 2.475 397 L HA 0.234 4.574 4.340 0.000 0.000 0.253 397 L C 1.837 178.720 176.870 0.022 0.000 1.198 397 L CA 0.552 55.418 54.840 0.043 0.000 0.814 397 L CB 0.156 42.261 42.059 0.077 0.000 1.134 397 L HN 0.328 nan 8.230 nan 0.000 0.478 398 G N -0.647 108.186 108.800 0.056 0.000 2.484 398 G HA2 0.354 4.315 3.960 0.000 0.000 0.218 398 G HA3 0.354 4.315 3.960 0.000 0.000 0.218 398 G C 0.562 175.390 174.900 -0.120 0.000 1.130 398 G CA 0.752 45.896 45.100 0.073 0.000 0.784 398 G HN 0.954 nan 8.290 nan 0.000 0.543 399 G N -2.018 106.688 108.800 -0.156 0.000 2.373 399 G HA2 0.369 4.330 3.960 0.000 0.000 0.250 399 G HA3 0.369 4.330 3.960 0.000 0.000 0.250 399 G C -1.720 173.150 174.900 -0.050 0.000 1.304 399 G CA 0.125 45.073 45.100 -0.252 0.000 0.948 399 G HN 0.854 nan 8.290 nan 0.000 0.474 400 V N 1.126 121.061 119.914 0.036 0.000 2.962 400 V HA 0.888 5.009 4.120 0.000 0.000 0.313 400 V C -0.646 175.508 176.094 0.100 0.000 1.099 400 V CA -0.705 61.681 62.300 0.144 0.000 0.971 400 V CB 1.836 33.829 31.823 0.282 0.000 1.028 400 V HN 1.190 nan 8.190 nan 0.000 0.430 401 M N 6.604 126.286 119.600 0.136 0.000 2.591 401 M HA 0.696 5.176 4.480 0.000 0.000 0.306 401 M C -2.078 174.369 176.300 0.245 0.000 1.190 401 M CA -0.549 54.816 55.300 0.109 0.000 0.889 401 M CB 1.985 34.663 32.600 0.129 0.000 1.728 401 M HN 0.784 nan 8.290 nan 0.000 0.458 402 F N 1.808 121.800 119.950 0.071 0.000 2.619 402 F HA 0.752 5.279 4.527 0.000 0.000 0.308 402 F C -2.139 173.710 175.800 0.082 0.000 1.097 402 F CA -1.068 56.884 58.000 -0.079 0.000 0.953 402 F CB 1.147 39.773 39.000 -0.623 0.000 1.287 402 F HN 0.695 nan 8.300 nan 0.000 0.446 403 W N 5.360 126.721 121.300 0.103 0.000 2.471 403 W HA 0.591 5.252 4.660 0.000 0.000 0.318 403 W C -1.950 174.707 176.519 0.229 0.000 1.034 403 W CA -0.718 56.723 57.345 0.161 0.000 1.224 403 W CB 1.549 31.086 29.460 0.128 0.000 1.335 403 W HN 1.022 nan 8.180 nan 0.000 0.452 404 H N 2.050 121.028 119.070 -0.154 0.000 2.977 404 H HA 0.393 4.950 4.556 0.000 0.000 0.350 404 H C 0.465 175.707 175.328 -0.142 0.000 1.238 404 H CA -0.931 54.867 56.048 -0.416 0.000 1.124 404 H CB 1.223 30.254 29.762 -1.219 0.000 1.866 404 H HN 0.274 nan 8.280 nan 0.000 0.550 405 L N 0.548 121.822 121.223 0.085 0.000 2.081 405 L HA -0.113 4.227 4.340 0.000 0.000 0.212 405 L C 2.450 178.978 176.870 -0.570 0.000 1.080 405 L CA 1.893 56.795 54.840 0.104 0.000 0.754 405 L CB -0.590 41.681 42.059 0.353 0.000 0.893 405 L HN 1.027 nan 8.230 nan 0.000 0.433 406 G N -1.379 106.898 108.800 -0.872 0.000 2.625 406 G HA2 -0.175 3.786 3.960 0.000 0.000 0.214 406 G HA3 -0.175 3.786 3.960 0.000 0.000 0.214 406 G C 1.381 175.914 174.900 -0.611 0.000 1.132 406 G CA 0.109 44.417 45.100 -1.321 0.000 0.782 406 G HN 0.456 nan 8.290 nan 0.000 0.538 407 Q N -0.395 119.091 119.800 -0.523 0.000 2.356 407 Q HA 0.090 4.430 4.340 0.000 0.000 0.205 407 Q C 0.238 176.251 176.000 0.022 0.000 0.901 407 Q CA -0.400 55.270 55.803 -0.222 0.000 0.938 407 Q CB 0.490 29.104 28.738 -0.208 0.000 1.081 407 Q HN 0.285 nan 8.270 nan 0.000 0.517 408 D N 1.680 122.129 120.400 0.082 0.000 2.360 408 D HA -0.019 4.621 4.640 0.000 0.000 0.242 408 D C -0.136 176.207 176.300 0.071 0.000 1.184 408 D CA -0.159 53.873 54.000 0.054 0.000 0.930 408 D CB 0.672 41.540 40.800 0.114 0.000 1.161 408 D HN 0.088 nan 8.370 nan 0.000 0.447 409 N N 1.073 119.844 118.700 0.118 0.000 2.317 409 N HA 0.023 4.764 4.740 0.000 0.000 0.245 409 N C 0.911 176.475 175.510 0.090 0.000 1.294 409 N CA -0.217 52.884 53.050 0.086 0.000 0.924 409 N CB 0.407 38.947 38.487 0.089 0.000 1.186 409 N HN 0.227 nan 8.380 nan 0.000 0.495 410 R N -0.251 120.298 120.500 0.081 0.000 2.117 410 R HA -0.062 4.278 4.340 0.000 0.000 0.243 410 R C 0.621 176.978 176.300 0.094 0.000 1.143 410 R CA 1.044 57.207 56.100 0.105 0.000 0.968 410 R CB -0.755 29.590 30.300 0.076 0.000 0.863 410 R HN 0.625 nan 8.270 nan 0.000 0.444 411 N N -0.164 118.574 118.700 0.064 0.000 2.550 411 N HA -0.052 4.689 4.740 0.000 0.000 0.186 411 N C 0.722 176.260 175.510 0.047 0.000 1.110 411 N CA 1.057 54.135 53.050 0.047 0.000 0.912 411 N CB 0.079 38.581 38.487 0.026 0.000 0.968 411 N HN 0.392 nan 8.380 nan 0.000 0.448 412 G N 1.341 110.179 108.800 0.064 0.000 2.273 412 G HA2 -0.266 3.694 3.960 0.000 0.000 0.280 412 G HA3 -0.266 3.694 3.960 0.000 0.000 0.280 412 G C 0.475 175.357 174.900 -0.031 0.000 1.047 412 G CA 0.481 45.614 45.100 0.056 0.000 0.869 412 G HN 0.233 nan 8.290 nan 0.000 0.502 413 D N -0.182 120.176 120.400 -0.070 0.000 2.144 413 D HA -0.067 4.573 4.640 0.000 0.000 0.199 413 D C 2.721 178.858 176.300 -0.273 0.000 0.984 413 D CA 1.030 54.946 54.000 -0.140 0.000 0.834 413 D CB -0.019 40.722 40.800 -0.098 0.000 0.955 413 D HN 0.555 nan 8.370 nan 0.000 0.465 414 L N 0.055 121.012 121.223 -0.442 0.000 2.027 414 L HA -0.132 4.209 4.340 0.000 0.000 0.206 414 L C 2.411 179.104 176.870 -0.294 0.000 1.074 414 L CA 0.502 54.992 54.840 -0.584 0.000 0.745 414 L CB -0.400 40.840 42.059 -1.366 0.000 0.898 414 L HN 0.090 nan 8.230 nan 0.000 0.433 415 L N 0.476 121.586 121.223 -0.187 0.000 2.046 415 L HA -0.112 4.228 4.340 0.000 0.000 0.208 415 L C 2.604 179.420 176.870 -0.090 0.000 1.077 415 L CA 1.998 56.814 54.840 -0.041 0.000 0.747 415 L CB -0.761 41.367 42.059 0.115 0.000 0.896 415 L HN 0.128 nan 8.230 nan 0.000 0.432 416 A N -0.418 122.331 122.820 -0.118 0.000 1.933 416 A HA -0.070 4.251 4.320 0.000 0.000 0.218 416 A C 2.457 179.853 177.584 -0.313 0.000 1.175 416 A CA 1.741 53.688 52.037 -0.150 0.000 0.628 416 A CB -1.119 17.810 19.000 -0.117 0.000 0.814 416 A HN 0.597 nan 8.150 nan 0.000 0.444 417 A N -0.121 122.455 122.820 -0.408 0.000 1.877 417 A HA -0.041 4.279 4.320 0.000 0.000 0.216 417 A C 2.172 179.082 177.584 -1.123 0.000 1.186 417 A CA 1.481 53.038 52.037 -0.800 0.000 0.620 417 A CB -0.633 18.029 19.000 -0.563 0.000 0.822 417 A HN 0.468 nan 8.150 nan 0.000 0.443 418 L N -0.549 120.315 121.223 -0.598 0.000 2.012 418 L HA -0.234 4.106 4.340 0.000 0.000 0.210 418 L C 2.469 179.022 176.870 -0.529 0.000 1.073 418 L CA 1.972 56.470 54.840 -0.571 0.000 0.748 418 L CB -0.667 41.224 42.059 -0.280 0.000 0.891 418 L HN 0.532 nan 8.230 nan 0.000 0.431 419 D N -0.132 120.118 120.400 -0.251 0.000 2.117 419 D HA -0.238 4.402 4.640 0.000 0.000 0.197 419 D C 2.317 178.529 176.300 -0.147 0.000 0.987 419 D CA 1.206 55.164 54.000 -0.070 0.000 0.829 419 D CB 0.044 40.837 40.800 -0.011 0.000 0.961 419 D HN 0.053 nan 8.370 nan 0.000 0.460 420 R N -1.152 119.141 120.500 -0.345 0.000 2.070 420 R HA -0.188 4.152 4.340 0.000 0.000 0.233 420 R C 2.074 178.200 176.300 -0.290 0.000 1.137 420 R CA 1.477 57.383 56.100 -0.323 0.000 0.945 420 R CB -0.451 29.569 30.300 -0.467 0.000 0.845 420 R HN 0.292 nan 8.270 nan 0.000 0.430 421 Y N -0.441 119.518 120.300 -0.567 0.000 2.315 421 Y HA -0.181 4.369 4.550 0.000 0.000 0.288 421 Y C 1.999 177.829 175.900 -0.118 0.000 1.154 421 Y CA 0.732 58.471 58.100 -0.601 0.000 1.229 421 Y CB -0.549 37.517 38.460 -0.658 0.000 0.980 421 Y HN 0.080 nan 8.280 nan 0.000 0.540 422 F N -0.684 119.343 119.950 0.128 0.000 2.317 422 F HA 0.043 4.570 4.527 0.000 0.000 0.293 422 F C 1.679 177.546 175.800 0.113 0.000 1.085 422 F CA 0.611 58.686 58.000 0.126 0.000 1.390 422 F CB -0.363 38.687 39.000 0.084 0.000 1.077 422 F HN 0.057 nan 8.300 nan 0.000 0.517 423 N N -0.508 118.352 118.700 0.267 0.000 2.193 423 N HA 0.219 4.959 4.740 0.000 0.000 0.210 423 N C 0.449 176.045 175.510 0.144 0.000 1.215 423 N CA 0.275 53.437 53.050 0.187 0.000 0.901 423 N CB 0.444 39.023 38.487 0.153 0.000 1.060 423 N HN -0.007 nan 8.380 nan 0.000 0.508 424 A N 1.061 123.963 122.820 0.137 0.000 2.492 424 A HA 0.501 4.821 4.320 0.000 0.000 0.254 424 A C 1.413 179.091 177.584 0.158 0.000 1.091 424 A CA 0.180 52.294 52.037 0.128 0.000 0.768 424 A CB 0.353 19.425 19.000 0.120 0.000 1.028 424 A HN 0.257 nan 8.150 nan 0.000 0.498 425 A N 2.408 125.295 122.820 0.113 0.000 2.015 425 A HA -0.089 4.232 4.320 0.000 0.000 0.219 425 A C 1.354 178.997 177.584 0.098 0.000 1.163 425 A CA 1.730 53.825 52.037 0.097 0.000 0.646 425 A CB -0.350 18.691 19.000 0.069 0.000 0.806 425 A HN 0.871 nan 8.150 nan 0.000 0.448 426 D N -2.699 117.767 120.400 0.110 0.000 2.325 426 D HA 0.067 4.707 4.640 0.000 0.000 0.225 426 D C 0.020 176.413 176.300 0.155 0.000 1.096 426 D CA -0.273 53.788 54.000 0.102 0.000 0.844 426 D CB -0.494 40.354 40.800 0.080 0.000 0.925 426 D HN 0.427 nan 8.370 nan 0.000 0.513 427 Y N 1.049 121.381 120.300 0.053 0.000 2.341 427 Y HA 0.453 5.004 4.550 0.001 0.000 0.337 427 Y C -1.367 174.562 175.900 0.049 0.000 1.014 427 Y CA -1.461 56.677 58.100 0.064 0.000 1.111 427 Y CB 1.511 40.041 38.460 0.116 0.000 1.194 427 Y HN -0.207 nan 8.280 nan 0.000 0.462 428 D N 4.879 124.895 120.400 -0.640 0.000 2.473 428 D HA 0.150 4.790 4.640 0.000 0.000 0.253 428 D C -0.838 175.061 176.300 -0.669 0.000 1.233 428 D CA -0.517 53.201 54.000 -0.470 0.000 0.908 428 D CB 0.852 41.520 40.800 -0.220 0.000 1.170 428 D HN 0.740 nan 8.370 nan 0.000 0.558 429 D N 1.248 121.294 120.400 -0.590 0.000 2.388 429 D HA -0.031 4.610 4.640 0.000 0.000 0.221 429 D C 1.339 177.541 176.300 -0.163 0.000 1.133 429 D CA -0.057 53.702 54.000 -0.402 0.000 0.831 429 D CB 0.052 40.710 40.800 -0.238 0.000 0.962 429 D HN 0.180 nan 8.370 nan 0.000 0.502 430 S N 0.236 115.857 115.700 -0.131 0.000 2.402 430 S HA -0.250 4.220 4.470 0.000 0.000 0.233 430 S C 1.488 176.065 174.600 -0.038 0.000 1.030 430 S CA 0.868 59.035 58.200 -0.056 0.000 1.003 430 S CB -0.294 62.878 63.200 -0.047 0.000 0.813 430 S HN 0.159 nan 8.310 nan 0.000 0.477 431 Q N 0.391 120.155 119.800 -0.060 0.000 2.247 431 Q HA 0.431 4.772 4.340 0.000 0.000 0.204 431 Q C -0.119 175.872 176.000 -0.015 0.000 0.872 431 Q CA -0.262 55.523 55.803 -0.029 0.000 0.951 431 Q CB -0.144 28.573 28.738 -0.035 0.000 1.099 431 Q HN 0.551 nan 8.270 nan 0.000 0.501 432 L N 2.605 123.808 121.223 -0.034 0.000 2.477 432 L HA 0.076 4.416 4.340 0.000 0.000 0.272 432 L C 0.026 176.961 176.870 0.109 0.000 1.157 432 L CA 0.373 55.209 54.840 -0.006 0.000 0.889 432 L CB 0.427 42.424 42.059 -0.103 0.000 1.158 432 L HN -0.047 nan 8.230 nan 0.000 0.473 433 D N 5.568 126.072 120.400 0.173 0.000 2.325 433 D HA 0.023 4.663 4.640 0.000 0.000 0.251 433 D C 0.814 177.312 176.300 0.330 0.000 1.196 433 D CA -0.343 53.777 54.000 0.199 0.000 0.866 433 D CB 1.033 41.924 40.800 0.152 0.000 1.101 433 D HN 0.587 nan 8.370 nan 0.000 0.476 434 M N 2.547 122.318 119.600 0.285 0.000 2.686 434 M HA 0.109 4.589 4.480 0.000 0.000 0.246 434 M C 1.263 177.679 176.300 0.193 0.000 1.096 434 M CA 0.306 55.829 55.300 0.371 0.000 1.076 434 M CB -1.316 31.505 32.600 0.368 0.000 1.504 434 M HN 0.650 nan 8.290 nan 0.000 0.524 435 G N 0.771 109.631 108.800 0.101 0.000 2.782 435 G HA2 -0.225 3.736 3.960 0.000 0.000 0.228 435 G HA3 -0.225 3.736 3.960 0.000 0.000 0.228 435 G C 0.230 175.089 174.900 -0.069 0.000 1.372 435 G CA 0.070 45.185 45.100 0.026 0.000 0.862 435 G HN 0.420 nan 8.290 nan 0.000 0.547 436 T N -1.556 112.963 114.554 -0.058 0.000 3.215 436 T HA 0.596 4.946 4.350 0.000 0.000 0.271 436 T C 1.277 175.921 174.700 -0.093 0.000 1.012 436 T CA 1.046 63.095 62.100 -0.086 0.000 0.899 436 T CB 0.370 69.215 68.868 -0.039 0.000 1.089 436 T HN 1.979 nan 8.240 nan 0.000 0.552 437 G N 1.589 110.331 108.800 -0.096 0.000 2.630 437 G HA2 0.448 4.408 3.960 0.000 0.000 0.236 437 G HA3 0.448 4.408 3.960 0.000 0.000 0.236 437 G C -0.043 174.827 174.900 -0.050 0.000 1.248 437 G CA -0.762 44.334 45.100 -0.008 0.000 0.844 437 G HN 0.599 nan 8.290 nan 0.000 0.588 438 L N 1.029 122.280 121.223 0.048 0.000 2.462 438 L HA 0.225 4.565 4.340 0.000 0.000 0.272 438 L C 0.808 177.766 176.870 0.147 0.000 1.166 438 L CA -0.401 54.474 54.840 0.060 0.000 0.880 438 L CB 0.338 42.443 42.059 0.076 0.000 1.142 438 L HN 0.366 nan 8.230 nan 0.000 0.473 439 R N 1.950 122.505 120.500 0.092 0.000 2.500 439 R HA 0.258 4.599 4.340 0.000 0.000 0.277 439 R C -0.806 175.644 176.300 0.250 0.000 1.026 439 R CA -0.576 55.651 56.100 0.213 0.000 1.058 439 R CB 0.539 30.900 30.300 0.103 0.000 1.078 439 R HN 0.309 nan 8.270 nan 0.000 0.509 440 Y N 1.034 121.462 120.300 0.214 0.000 2.436 440 Y HA 0.078 4.629 4.550 0.000 0.000 0.336 440 Y C 0.872 176.840 175.900 0.114 0.000 1.049 440 Y CA 0.369 58.572 58.100 0.172 0.000 1.294 440 Y CB 0.850 39.425 38.460 0.191 0.000 1.179 440 Y HN 0.730 nan 8.280 nan 0.000 0.520 441 T N 1.687 116.046 114.554 -0.324 0.000 3.134 441 T HA 0.326 4.676 4.350 0.000 0.000 0.260 441 T C 0.808 175.339 174.700 -0.282 0.000 1.027 441 T CA -0.007 61.972 62.100 -0.202 0.000 0.913 441 T CB -0.440 68.343 68.868 -0.142 0.000 1.046 441 T HN 0.790 nan 8.240 nan 0.000 0.553 442 G N 1.692 110.168 108.800 -0.540 0.000 2.554 442 G HA2 0.458 4.418 3.960 0.000 0.000 0.238 442 G HA3 0.458 4.418 3.960 0.000 0.000 0.238 442 G C -0.230 174.619 174.900 -0.086 0.000 1.259 442 G CA -0.050 44.871 45.100 -0.298 0.000 0.843 442 G HN 0.934 nan 8.290 nan 0.000 0.582 443 V N 0.043 119.867 119.914 -0.150 0.000 2.577 443 V HA 0.869 4.989 4.120 0.000 0.000 0.303 443 V C 0.337 176.306 176.094 -0.209 0.000 1.042 443 V CA -0.446 61.780 62.300 -0.124 0.000 0.872 443 V CB 1.428 33.175 31.823 -0.127 0.000 0.998 443 V HN 1.059 nan 8.190 nan 0.000 0.423 444 G N 3.516 112.213 108.800 -0.172 0.000 2.356 444 G HA2 0.648 4.608 3.960 0.000 0.000 0.322 444 G HA3 0.648 4.608 3.960 0.000 0.000 0.322 444 G C -1.802 172.858 174.900 -0.399 0.000 1.125 444 G CA -1.864 43.054 45.100 -0.303 0.000 0.885 444 G HN 0.610 nan 8.290 nan 0.000 0.467 445 P HA -0.106 nan 4.420 nan 0.000 0.221 445 P C 1.737 178.822 177.300 -0.359 0.000 1.141 445 P CA 1.486 64.227 63.100 -0.599 0.000 0.794 445 P CB 0.359 31.517 31.700 -0.904 0.000 0.764 446 G N -0.626 108.013 108.800 -0.269 0.000 2.683 446 G HA2 -0.117 3.843 3.960 0.000 0.000 0.213 446 G HA3 -0.117 3.843 3.960 0.000 0.000 0.213 446 G C 0.817 175.692 174.900 -0.041 0.000 1.142 446 G CA 0.067 45.115 45.100 -0.086 0.000 0.793 446 G HN 0.371 nan 8.290 nan 0.000 0.534 447 N N 0.434 119.096 118.700 -0.064 0.000 2.610 447 N HA 0.182 4.923 4.740 0.000 0.000 0.307 447 N C -0.402 175.077 175.510 -0.052 0.000 1.813 447 N CA -0.314 52.717 53.050 -0.031 0.000 0.901 447 N CB -0.135 38.356 38.487 0.006 0.000 1.354 447 N HN 0.042 nan 8.380 nan 0.000 0.491 448 L N 1.161 122.344 121.223 -0.067 0.000 2.452 448 L HA 0.385 4.725 4.340 0.000 0.000 0.267 448 L C -1.642 175.195 176.870 -0.056 0.000 1.188 448 L CA -1.466 53.328 54.840 -0.075 0.000 0.821 448 L CB 0.340 42.353 42.059 -0.076 0.000 1.102 448 L HN 0.145 nan 8.230 nan 0.000 0.470 449 P HA 0.126 nan 4.420 nan 0.000 0.276 449 P C -0.603 176.667 177.300 -0.050 0.000 1.244 449 P CA -0.513 62.562 63.100 -0.043 0.000 0.801 449 P CB 0.898 32.577 31.700 -0.036 0.000 1.006 450 I N 2.086 122.628 120.570 -0.046 0.000 2.618 450 I HA 0.139 4.310 4.170 0.000 0.000 0.284 450 I C 0.970 177.063 176.117 -0.040 0.000 1.146 450 I CA 0.761 62.030 61.300 -0.052 0.000 1.425 450 I CB -0.580 37.394 38.000 -0.044 0.000 1.383 450 I HN 0.392 nan 8.210 nan 0.000 0.562 451 M N 4.558 124.133 119.600 -0.041 0.000 2.631 451 M HA 0.390 4.870 4.480 0.000 0.000 0.288 451 M C -0.718 175.575 176.300 -0.013 0.000 1.260 451 M CA -0.591 54.695 55.300 -0.023 0.000 0.842 451 M CB 2.843 35.431 32.600 -0.020 0.000 1.743 451 M HN 0.396 nan 8.290 nan 0.000 0.461 452 T N 1.325 115.881 114.554 0.003 0.000 2.841 452 T HA 0.842 5.192 4.350 0.000 0.000 0.285 452 T C -1.268 173.451 174.700 0.032 0.000 0.991 452 T CA -0.675 61.433 62.100 0.013 0.000 0.966 452 T CB 1.585 70.459 68.868 0.009 0.000 0.962 452 T HN 0.735 nan 8.240 nan 0.000 0.438 453 A N 4.165 127.014 122.820 0.048 0.000 2.606 453 A HA 0.886 5.206 4.320 0.000 0.000 0.293 453 A C -3.111 174.520 177.584 0.080 0.000 1.082 453 A CA -1.800 50.278 52.037 0.069 0.000 0.685 453 A CB 0.850 19.903 19.000 0.089 0.000 1.284 453 A HN 0.547 nan 8.150 nan 0.000 0.408 454 P HA 0.360 nan 4.420 nan 0.000 0.266 454 P C 0.066 177.437 177.300 0.117 0.000 1.195 454 P CA 0.355 63.511 63.100 0.094 0.000 0.768 454 P CB 0.637 32.400 31.700 0.105 0.000 0.838 455 A N 3.520 126.406 122.820 0.110 0.000 2.531 455 A HA 0.050 4.370 4.320 0.000 0.000 0.236 455 A C -0.170 177.512 177.584 0.165 0.000 1.062 455 A CA -0.045 52.079 52.037 0.145 0.000 0.760 455 A CB -0.597 18.474 19.000 0.119 0.000 0.995 455 A HN 0.577 nan 8.150 nan 0.000 0.501 456 Y N 2.285 122.620 120.300 0.058 0.000 2.597 456 Y HA 0.326 4.877 4.550 0.000 0.000 0.336 456 Y C -0.161 175.780 175.900 0.069 0.000 1.216 456 Y CA 0.358 58.436 58.100 -0.036 0.000 1.463 456 Y CB 0.504 38.717 38.460 -0.412 0.000 1.303 456 Y HN 0.371 nan 8.280 nan 0.000 0.576 457 V N 9.037 128.550 119.914 -0.667 0.000 2.326 457 V HA 0.294 4.414 4.120 0.000 0.000 0.281 457 V C -2.239 173.341 176.094 -0.857 0.000 1.015 457 V CA -2.114 59.864 62.300 -0.538 0.000 0.823 457 V CB 1.069 32.750 31.823 -0.237 0.000 1.009 457 V HN 0.741 nan 8.190 nan 0.000 0.436 458 P HA 0.215 nan 4.420 nan 0.000 0.264 458 P C 1.080 178.277 177.300 -0.172 0.000 1.183 458 P CA 1.456 64.382 63.100 -0.290 0.000 0.763 458 P CB 0.682 32.369 31.700 -0.021 0.000 0.807 459 G N 1.311 110.073 108.800 -0.064 0.000 2.217 459 G HA2 -0.212 3.749 3.960 0.000 0.000 0.246 459 G HA3 -0.212 3.749 3.960 0.000 0.000 0.246 459 G C 0.306 175.152 174.900 -0.090 0.000 0.990 459 G CA 0.077 45.148 45.100 -0.048 0.000 0.627 459 G HN 0.603 nan 8.290 nan 0.000 0.522 460 T N 2.015 116.457 114.554 -0.187 0.000 2.907 460 T HA 0.517 4.868 4.350 0.000 0.000 0.298 460 T C 0.261 174.807 174.700 -0.256 0.000 1.017 460 T CA 0.756 62.654 62.100 -0.337 0.000 1.118 460 T CB 1.500 69.940 68.868 -0.713 0.000 0.948 460 T HN 0.208 nan 8.240 nan 0.000 0.531 461 T N 3.465 117.864 114.554 -0.258 0.000 2.756 461 T HA 0.407 4.757 4.350 0.000 0.000 0.290 461 T C -0.752 173.822 174.700 -0.210 0.000 0.985 461 T CA -0.353 61.694 62.100 -0.090 0.000 0.955 461 T CB 0.017 68.896 68.868 0.018 0.000 0.930 461 T HN 0.380 nan 8.240 nan 0.000 0.451 462 Y N 1.536 121.841 120.300 0.009 0.000 2.352 462 Y HA 0.603 5.153 4.550 0.000 0.000 0.326 462 Y C 0.723 176.517 175.900 -0.176 0.000 1.166 462 Y CA -0.932 57.134 58.100 -0.056 0.000 1.182 462 Y CB 0.952 39.402 38.460 -0.017 0.000 1.216 462 Y HN 0.746 nan 8.280 nan 0.000 0.474 463 A N 2.200 125.018 122.820 -0.003 0.000 2.257 463 A HA 0.296 4.616 4.320 0.000 0.000 0.289 463 A C -0.199 177.313 177.584 -0.120 0.000 1.095 463 A CA -0.758 51.205 52.037 -0.123 0.000 0.836 463 A CB 0.373 19.308 19.000 -0.108 0.000 1.111 463 A HN 0.796 nan 8.150 nan 0.000 0.497 464 Q N -0.602 119.124 119.800 -0.124 0.000 2.395 464 Q HA 0.359 4.699 4.340 0.000 0.000 0.271 464 Q C 1.131 177.083 176.000 -0.080 0.000 1.026 464 Q CA 1.237 56.974 55.803 -0.109 0.000 0.900 464 Q CB 0.206 28.922 28.738 -0.036 0.000 1.266 464 Q HN 1.829 nan 8.270 nan 0.000 0.430 465 G N 1.802 110.548 108.800 -0.089 0.000 2.205 465 G HA2 -0.332 3.628 3.960 0.000 0.000 0.261 465 G HA3 -0.332 3.628 3.960 0.000 0.000 0.261 465 G C 0.186 175.075 174.900 -0.018 0.000 0.980 465 G CA 0.114 45.189 45.100 -0.041 0.000 0.632 465 G HN 1.045 nan 8.290 nan 0.000 0.533 466 A N 0.138 122.939 122.820 -0.031 0.000 2.511 466 A HA 0.631 4.952 4.320 0.000 0.000 0.242 466 A C 0.384 178.012 177.584 0.074 0.000 1.069 466 A CA 0.404 52.468 52.037 0.045 0.000 0.763 466 A CB 0.270 19.344 19.000 0.124 0.000 1.001 466 A HN 0.931 nan 8.150 nan 0.000 0.498 467 L N 3.034 124.324 121.223 0.112 0.000 2.322 467 L HA 0.665 5.005 4.340 0.000 0.000 0.281 467 L C -0.218 176.737 176.870 0.142 0.000 1.014 467 L CA -0.753 54.172 54.840 0.142 0.000 0.815 467 L CB 1.747 43.866 42.059 0.100 0.000 1.247 467 L HN 0.680 nan 8.230 nan 0.000 0.421 468 V N -0.279 119.734 119.914 0.165 0.000 3.114 468 V HA 0.780 4.901 4.120 0.000 0.000 0.308 468 V C -0.303 175.905 176.094 0.191 0.000 1.168 468 V CA -0.705 61.664 62.300 0.115 0.000 1.015 468 V CB 2.003 33.797 31.823 -0.047 0.000 1.050 468 V HN 0.743 nan 8.190 nan 0.000 0.433 469 S N 2.120 117.936 115.700 0.194 0.000 2.489 469 S HA 0.860 5.331 4.470 0.000 0.000 0.291 469 S C -1.064 173.738 174.600 0.336 0.000 1.151 469 S CA -0.539 57.803 58.200 0.237 0.000 1.082 469 S CB 1.260 64.542 63.200 0.137 0.000 1.019 469 S HN 1.739 nan 8.310 nan 0.000 0.492 470 Y N 1.230 121.664 120.300 0.224 0.000 2.357 470 Y HA 0.227 4.777 4.550 0.000 0.000 0.319 470 Y C -0.580 175.479 175.900 0.266 0.000 1.225 470 Y CA -0.482 57.689 58.100 0.119 0.000 1.095 470 Y CB 0.992 39.309 38.460 -0.238 0.000 1.302 470 Y HN 0.958 nan 8.280 nan 0.000 0.429 471 Q N 4.369 123.935 119.800 -0.390 0.000 2.435 471 Q HA -0.249 4.092 4.340 0.000 0.000 0.312 471 Q C 1.046 177.063 176.000 0.028 0.000 1.333 471 Q CA 1.512 57.170 55.803 -0.241 0.000 0.883 471 Q CB -1.567 26.962 28.738 -0.348 0.000 1.170 471 Q HN 1.624 nan 8.270 nan 0.000 0.443 472 G N -2.043 106.720 108.800 -0.060 0.000 2.176 472 G HA2 -0.327 3.633 3.960 0.000 0.000 0.253 472 G HA3 -0.327 3.633 3.960 0.000 0.000 0.253 472 G C -0.338 174.229 174.900 -0.556 0.000 0.979 472 G CA 0.413 45.344 45.100 -0.281 0.000 0.641 472 G HN 0.397 nan 8.290 nan 0.000 0.530 473 Y N -1.489 118.791 120.300 -0.034 0.000 2.609 473 Y HA 0.652 5.202 4.550 0.001 0.000 0.342 473 Y C 0.181 175.982 175.900 -0.165 0.000 1.058 473 Y CA -1.148 56.800 58.100 -0.253 0.000 1.055 473 Y CB 1.991 40.011 38.460 -0.733 0.000 1.292 473 Y HN 0.092 nan 8.280 nan 0.000 0.476 474 V N 1.540 121.413 119.914 -0.069 0.000 2.427 474 V HA 0.298 4.418 4.120 0.000 0.000 0.286 474 V C -1.217 174.837 176.094 -0.067 0.000 1.034 474 V CA -0.764 61.560 62.300 0.039 0.000 0.893 474 V CB 0.495 32.330 31.823 0.021 0.000 0.982 474 V HN 0.641 nan 8.190 nan 0.000 0.452 475 W N 2.828 124.154 121.300 0.043 0.000 2.781 475 W HA 0.728 5.388 4.660 0.000 0.000 0.345 475 W C -0.110 176.534 176.519 0.209 0.000 1.085 475 W CA -0.627 56.772 57.345 0.090 0.000 1.198 475 W CB 1.368 30.820 29.460 -0.013 0.000 1.423 475 W HN 0.419 nan 8.180 nan 0.000 0.532 476 Q N 1.167 121.232 119.800 0.441 0.000 2.356 476 Q HA 0.486 4.826 4.340 0.000 0.000 0.270 476 Q C -0.183 175.841 176.000 0.040 0.000 1.058 476 Q CA -0.590 55.347 55.803 0.223 0.000 0.802 476 Q CB 1.877 30.669 28.738 0.089 0.000 1.303 476 Q HN 0.546 nan 8.270 nan 0.000 0.444 477 T N 0.492 114.863 114.554 -0.306 0.000 2.913 477 T HA 0.280 4.630 4.350 0.000 0.000 0.297 477 T C 0.479 174.923 174.700 -0.426 0.000 1.029 477 T CA -0.427 61.233 62.100 -0.734 0.000 1.104 477 T CB 1.101 69.404 68.868 -0.941 0.000 0.964 477 T HN 0.708 nan 8.240 nan 0.000 0.532 478 K N 1.189 121.266 120.400 -0.539 0.000 2.361 478 K HA 0.231 4.551 4.320 0.000 0.000 0.194 478 K C -0.255 176.406 176.600 0.101 0.000 1.032 478 K CA -0.122 56.061 56.287 -0.174 0.000 1.048 478 K CB 0.297 32.763 32.500 -0.056 0.000 0.842 478 K HN 0.853 nan 8.250 nan 0.000 0.526 479 W N -1.658 119.547 121.300 -0.159 0.000 2.874 479 W HA 0.597 5.257 4.660 0.001 0.000 0.403 479 W C -0.388 176.038 176.519 -0.155 0.000 1.144 479 W CA -1.383 55.889 57.345 -0.120 0.000 1.175 479 W CB -0.114 29.300 29.460 -0.077 0.000 1.483 479 W HN -0.184 nan 8.180 nan 0.000 0.591 480 G N -1.358 107.545 108.800 0.172 0.000 2.557 480 G HA2 0.477 4.437 3.960 0.000 0.000 0.302 480 G HA3 0.477 4.437 3.960 0.000 0.000 0.302 480 G C -1.107 173.839 174.900 0.078 0.000 1.311 480 G CA -0.847 44.221 45.100 -0.054 0.000 1.030 480 G HN 1.052 nan 8.290 nan 0.000 0.509 481 Y N -2.205 118.129 120.300 0.056 0.000 3.589 481 Y HA -0.163 4.387 4.550 0.000 0.000 0.218 481 Y C 0.512 176.447 175.900 0.060 0.000 1.234 481 Y CA -0.387 57.749 58.100 0.060 0.000 1.576 481 Y CB -1.477 37.030 38.460 0.079 0.000 1.487 481 Y HN 0.153 nan 8.280 nan 0.000 0.616 482 I N 1.316 121.929 120.570 0.072 0.000 2.421 482 I HA 0.032 4.202 4.170 0.000 0.000 0.291 482 I C 1.412 177.647 176.117 0.196 0.000 1.089 482 I CA 0.832 62.139 61.300 0.012 0.000 1.354 482 I CB 0.588 38.388 38.000 -0.332 0.000 1.413 482 I HN 0.346 nan 8.210 nan 0.000 0.513 483 T N 0.456 115.129 114.554 0.198 0.000 3.085 483 T HA 0.149 4.499 4.350 0.000 0.000 0.264 483 T C 0.693 175.539 174.700 0.243 0.000 1.019 483 T CA -0.375 61.855 62.100 0.218 0.000 0.910 483 T CB -0.022 68.935 68.868 0.148 0.000 1.059 483 T HN 0.531 nan 8.240 nan 0.000 0.542 484 S N 1.055 116.911 115.700 0.260 0.000 2.672 484 S HA 0.816 5.286 4.470 0.000 0.000 0.276 484 S C 0.207 174.876 174.600 0.115 0.000 1.207 484 S CA -0.793 57.519 58.200 0.188 0.000 1.002 484 S CB 1.250 64.546 63.200 0.161 0.000 0.998 484 S HN 0.585 nan 8.310 nan 0.000 0.542 485 A N 1.554 124.192 122.820 -0.302 0.000 2.316 485 A HA 0.685 5.006 4.320 0.000 0.000 0.284 485 A C -2.695 174.011 177.584 -1.464 0.000 1.115 485 A CA -2.082 49.227 52.037 -1.213 0.000 0.812 485 A CB -0.585 17.859 19.000 -0.927 0.000 1.064 485 A HN 0.659 nan 8.150 nan 0.000 0.489 486 P HA 0.258 nan 4.420 nan 0.000 0.265 486 P C 1.046 177.300 177.300 -1.743 0.000 1.193 486 P CA 1.921 63.385 63.100 -2.727 0.000 0.765 486 P CB 0.725 30.488 31.700 -3.229 0.000 0.823 487 G N 2.502 110.546 108.800 -1.260 0.000 2.241 487 G HA2 -0.317 3.643 3.960 0.000 0.000 0.244 487 G HA3 -0.317 3.643 3.960 0.000 0.000 0.244 487 G C 1.242 176.002 174.900 -0.233 0.000 0.998 487 G CA 0.553 45.302 45.100 -0.586 0.000 0.621 487 G HN 0.606 nan 8.290 nan 0.000 0.519 488 S N 0.402 115.939 115.700 -0.272 0.000 2.522 488 S HA 0.338 4.808 4.470 0.000 0.000 0.227 488 S C 0.891 175.483 174.600 -0.013 0.000 0.986 488 S CA 1.499 59.631 58.200 -0.114 0.000 0.929 488 S CB 0.012 63.131 63.200 -0.135 0.000 0.769 488 S HN 1.020 nan 8.310 nan 0.000 0.529 489 D N 0.811 121.229 120.400 0.029 0.000 3.798 489 D HA 0.274 4.914 4.640 0.000 0.000 0.296 489 D C 0.543 176.918 176.300 0.125 0.000 1.489 489 D CA 0.230 54.286 54.000 0.094 0.000 0.988 489 D CB -0.007 40.864 40.800 0.119 0.000 1.360 489 D HN 0.179 nan 8.370 nan 0.000 0.641 490 S N -1.579 114.217 115.700 0.161 0.000 2.603 490 S HA 0.474 4.944 4.470 0.000 0.000 0.232 490 S C 1.513 176.127 174.600 0.023 0.000 1.016 490 S CA 0.288 58.605 58.200 0.194 0.000 0.976 490 S CB 0.196 63.584 63.200 0.312 0.000 0.921 490 S HN 0.652 nan 8.310 nan 0.000 0.516 491 A N 0.510 123.141 122.820 -0.314 0.000 2.119 491 A HA 0.318 4.638 4.320 0.000 0.000 0.216 491 A C 0.198 177.235 177.584 -0.913 0.000 1.152 491 A CA -0.035 51.241 52.037 -1.268 0.000 0.708 491 A CB -0.417 17.733 19.000 -1.416 0.000 0.805 491 A HN 0.657 nan 8.150 nan 0.000 0.460 492 W N -1.317 119.788 121.300 -0.325 0.000 2.551 492 W HA 0.599 5.260 4.660 0.000 0.000 0.330 492 W C -0.564 176.010 176.519 0.091 0.000 1.063 492 W CA -0.866 56.401 57.345 -0.130 0.000 1.222 492 W CB 1.258 30.615 29.460 -0.172 0.000 1.349 492 W HN 0.037 nan 8.180 nan 0.000 0.536 493 L N 3.424 124.878 121.223 0.384 0.000 2.349 493 L HA 0.467 4.808 4.340 0.000 0.000 0.278 493 L C -0.408 176.524 176.870 0.103 0.000 0.996 493 L CA -1.112 53.850 54.840 0.203 0.000 0.825 493 L CB 1.050 43.155 42.059 0.077 0.000 1.243 493 L HN 0.271 nan 8.230 nan 0.000 0.412 494 K N 3.925 124.184 120.400 -0.234 0.000 2.383 494 K HA 0.238 4.558 4.320 0.000 0.000 0.286 494 K C 0.601 176.989 176.600 -0.353 0.000 1.051 494 K CA 0.302 56.177 56.287 -0.687 0.000 0.974 494 K CB 0.933 32.789 32.500 -1.073 0.000 0.968 494 K HN 0.671 nan 8.250 nan 0.000 0.475 495 V N -0.422 119.344 119.914 -0.246 0.000 3.502 495 V HA 0.375 4.495 4.120 0.000 0.000 0.288 495 V C 0.505 176.529 176.094 -0.117 0.000 1.461 495 V CA 0.126 62.340 62.300 -0.143 0.000 1.029 495 V CB 0.711 32.497 31.823 -0.063 0.000 0.843 495 V HN 0.715 nan 8.190 nan 0.000 0.438 496 G N -0.076 108.653 108.800 -0.119 0.000 2.623 496 G HA2 0.637 4.598 3.960 0.000 0.000 0.290 496 G HA3 0.637 4.598 3.960 0.000 0.000 0.290 496 G C -1.626 173.238 174.900 -0.060 0.000 1.437 496 G CA -1.129 43.926 45.100 -0.075 0.000 0.798 496 G HN 0.162 nan 8.290 nan 0.000 0.488 497 R N -0.420 120.021 120.500 -0.097 0.000 2.532 497 R HA 0.601 4.941 4.340 0.000 0.000 0.295 497 R C -0.428 175.765 176.300 -0.178 0.000 0.968 497 R CA -0.677 55.295 56.100 -0.214 0.000 0.916 497 R CB 2.305 32.481 30.300 -0.206 0.000 1.124 497 R HN 0.295 nan 8.270 nan 0.000 0.463 498 V N 2.797 122.574 119.914 -0.229 0.000 2.583 498 V HA 0.261 4.381 4.120 0.000 0.000 0.287 498 V C 0.758 176.772 176.094 -0.132 0.000 1.051 498 V CA -0.280 61.937 62.300 -0.138 0.000 1.010 498 V CB 1.331 33.080 31.823 -0.123 0.000 0.988 498 V HN 0.949 nan 8.190 nan 0.000 0.478 499 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 51.993 52.037 -0.073 0.000 0.836 499 A CB 0.000 18.971 19.000 -0.048 0.000 0.831 499 A HN 0.000 nan 8.150 nan 0.000 0.486