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 1vk3_1_A DATA FIRST_RESID 2 DATA SEQUENCE KLRYLNILKE KLGREPTFVE LQAFSVXWSE HCGYSHTKKY IRRLPKTGFE DATA SEQUENCE GNAGVVNLDD YYSVAFKIES HNHPSAIEPY NGAATGVGGI IRDVLAXGAR DATA SEQUENCE PTAIFDSLHX SRIIDGIIEG IADYGNSIGV PTVGGELRIS SLYAHNPLVN DATA SEQUENCE VLAAGVVRND XLVDSKASRP GQVIVIFGGA TGRDGXXXXX XXXXXXXXXX DATA SEQUENCE XTKLSIQVGD PFAEKXLIEA FLEXVEEGLV EGAQDLGAGG VLSATSELVA DATA SEQUENCE KGNLGAIVHL DRVPLREPDX EPWEILISES QERXAVVTSP QKASRILEIA DATA SEQUENCE RKHLLFGDVV AEVIEEPVYR VXYRNDLVXE VPVQLLANAP EEDIVEYTPG DATA SEQUENCE KIPEFKRVEF EEVNAREVFE QYDHXVGTDT VVPPGFGAAV XRIKRDGGYS DATA SEQUENCE LVTHSRADLA LQDTYWGTLI AVLESVRKTL SVGAEPLAIT NCVNYGDPDV DATA SEQUENCE DPVGLSAXXT ALKNACEFSG VPVASGNASL YNTYQGKPIP PTLVVGXLGK DATA SEQUENCE VNPQKVAKPK PSKVFAVGWN DFELEREKEL WRAIRKLSEE GAFILSSSQL DATA SEQUENCE LTRTHVETFR EYGLKIEVKL PEVRPAHQXV LVFSERTPVV DVPVKEIGTL DATA SEQUENCE SR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.602 176.600 0.004 0.000 0.988 2 K CA 0.000 56.195 56.287 -0.153 0.000 0.838 2 K CB 0.000 32.442 32.500 -0.097 0.000 1.064 3 L N 2.046 123.266 121.223 -0.004 0.000 2.079 3 L HA 0.006 4.347 4.340 0.001 0.000 0.210 3 L C 2.379 179.297 176.870 0.081 0.000 1.081 3 L CA 2.211 57.068 54.840 0.029 0.000 0.752 3 L CB -0.236 41.828 42.059 0.009 0.000 0.896 3 L HN 0.481 nan 8.230 nan 0.000 0.433 4 R N -1.926 118.636 120.500 0.104 0.000 2.081 4 R HA -0.195 4.145 4.340 0.001 0.000 0.235 4 R C 2.209 178.711 176.300 0.337 0.000 1.131 4 R CA 1.684 57.897 56.100 0.188 0.000 0.960 4 R CB -0.758 29.664 30.300 0.203 0.000 0.856 4 R HN 0.339 nan 8.270 nan 0.000 0.436 5 Y N 0.923 121.279 120.300 0.094 0.000 2.200 5 Y HA -0.133 4.417 4.550 0.001 0.000 0.290 5 Y C 2.244 178.271 175.900 0.212 0.000 1.137 5 Y CA 0.245 58.463 58.100 0.198 0.000 1.163 5 Y CB -0.888 37.740 38.460 0.281 0.000 0.988 5 Y HN -0.004 nan 8.280 nan 0.000 0.518 6 L N 0.756 122.140 121.223 0.268 0.000 2.042 6 L HA -0.246 4.094 4.340 0.001 0.000 0.210 6 L C 1.888 178.791 176.870 0.054 0.000 1.076 6 L CA 1.863 56.759 54.840 0.094 0.000 0.749 6 L CB -0.816 41.267 42.059 0.040 0.000 0.893 6 L HN 0.130 nan 8.230 nan 0.000 0.432 7 N N -0.272 118.476 118.700 0.080 0.000 2.223 7 N HA -0.150 4.590 4.740 0.001 0.000 0.185 7 N C 1.920 177.460 175.510 0.051 0.000 1.016 7 N CA 1.875 54.955 53.050 0.049 0.000 0.863 7 N CB -0.205 38.312 38.487 0.050 0.000 0.983 7 N HN 0.465 nan 8.380 nan 0.000 0.429 8 I N 0.478 121.108 120.570 0.100 0.000 2.193 8 I HA -0.222 3.948 4.170 0.001 0.000 0.240 8 I C 2.273 178.452 176.117 0.102 0.000 1.084 8 I CA 0.446 61.802 61.300 0.094 0.000 1.365 8 I CB -0.243 37.795 38.000 0.064 0.000 1.064 8 I HN 0.025 nan 8.210 nan 0.000 0.410 9 L N 1.356 122.648 121.223 0.115 0.000 2.021 9 L HA -0.296 4.044 4.340 0.001 0.000 0.215 9 L C 2.455 179.213 176.870 -0.187 0.000 1.074 9 L CA 2.036 56.758 54.840 -0.197 0.000 0.760 9 L CB -0.727 41.020 42.059 -0.520 0.000 0.889 9 L HN 0.120 nan 8.230 nan 0.000 0.433 10 K N -0.992 119.338 120.400 -0.116 0.000 2.057 10 K HA -0.206 4.114 4.320 0.001 0.000 0.207 10 K C 2.108 178.673 176.600 -0.058 0.000 1.049 10 K CA 1.761 57.993 56.287 -0.092 0.000 0.931 10 K CB -0.143 32.322 32.500 -0.058 0.000 0.714 10 K HN 0.582 nan 8.250 nan 0.000 0.440 11 E N 1.728 121.911 120.200 -0.029 0.000 2.051 11 E HA -0.193 4.157 4.350 0.001 0.000 0.192 11 E C 1.839 178.429 176.600 -0.016 0.000 0.991 11 E CA 1.396 57.787 56.400 -0.016 0.000 0.799 11 E CB -0.442 29.257 29.700 -0.002 0.000 0.748 11 E HN 0.171 nan 8.360 nan 0.000 0.449 12 K N -0.084 120.309 120.400 -0.012 0.000 2.032 12 K HA 0.009 4.329 4.320 0.001 0.000 0.209 12 K C 2.275 178.859 176.600 -0.025 0.000 1.048 12 K CA 1.276 57.562 56.287 -0.002 0.000 0.927 12 K CB -0.451 32.070 32.500 0.035 0.000 0.712 12 K HN 0.439 nan 8.250 nan 0.000 0.441 13 L N -0.283 120.898 121.223 -0.070 0.000 2.313 13 L HA 0.027 4.367 4.340 0.001 0.000 0.214 13 L C 1.161 178.006 176.870 -0.040 0.000 1.119 13 L CA 0.622 55.422 54.840 -0.066 0.000 0.809 13 L CB -0.483 41.506 42.059 -0.118 0.000 0.933 13 L HN 0.395 nan 8.230 nan 0.000 0.449 14 G N 1.629 110.407 108.800 -0.037 0.000 2.225 14 G HA2 -0.306 3.654 3.960 0.001 0.000 0.267 14 G HA3 -0.306 3.654 3.960 0.001 0.000 0.267 14 G C 0.227 175.111 174.900 -0.027 0.000 1.024 14 G CA 0.775 45.861 45.100 -0.025 0.000 0.784 14 G HN 0.614 nan 8.290 nan 0.000 0.507 15 R N -2.169 118.308 120.500 -0.039 0.000 2.774 15 R HA 0.494 4.835 4.340 0.001 0.000 0.279 15 R C -0.848 175.420 176.300 -0.052 0.000 1.022 15 R CA -1.037 55.041 56.100 -0.036 0.000 0.855 15 R CB 0.637 30.921 30.300 -0.028 0.000 1.279 15 R HN 0.127 nan 8.270 nan 0.000 0.485 16 E N 1.760 121.934 120.200 -0.044 0.000 2.415 16 E HA 0.121 4.472 4.350 0.001 0.000 0.263 16 E C -2.039 174.523 176.600 -0.063 0.000 0.995 16 E CA -1.252 55.118 56.400 -0.051 0.000 0.915 16 E CB 0.404 30.084 29.700 -0.034 0.000 0.951 16 E HN 0.295 nan 8.360 nan 0.000 0.449 17 P HA -0.006 nan 4.420 nan 0.000 0.275 17 P C -0.347 176.919 177.300 -0.057 0.000 1.227 17 P CA -0.353 62.684 63.100 -0.106 0.000 0.781 17 P CB 0.674 32.268 31.700 -0.176 0.000 0.906 18 T N -0.545 113.994 114.554 -0.024 0.000 2.726 18 T HA 0.066 4.416 4.350 0.001 0.000 0.294 18 T C 0.947 175.656 174.700 0.015 0.000 1.013 18 T CA -0.243 61.870 62.100 0.021 0.000 0.996 18 T CB -0.016 68.882 68.868 0.052 0.000 1.016 18 T HN 0.250 nan 8.240 nan 0.000 0.529 19 F N 0.810 120.708 119.950 -0.086 0.000 2.091 19 F HA -0.102 4.426 4.527 0.001 0.000 0.299 19 F C 2.188 177.900 175.800 -0.147 0.000 1.103 19 F CA 1.666 59.576 58.000 -0.149 0.000 1.228 19 F CB -0.632 38.249 39.000 -0.198 0.000 0.984 19 F HN 0.343 nan 8.300 nan 0.000 0.477 20 V N 0.218 120.161 119.914 0.048 0.000 2.427 20 V HA -0.256 3.865 4.120 0.001 0.000 0.248 20 V C 2.152 178.237 176.094 -0.015 0.000 1.051 20 V CA 2.186 64.507 62.300 0.036 0.000 1.048 20 V CB -0.707 31.228 31.823 0.186 0.000 0.666 20 V HN 0.350 nan 8.190 nan 0.000 0.456 21 E N -0.117 120.093 120.200 0.018 0.000 2.072 21 E HA -0.184 4.167 4.350 0.001 0.000 0.191 21 E C 2.169 178.812 176.600 0.070 0.000 0.985 21 E CA 0.877 57.347 56.400 0.117 0.000 0.801 21 E CB -0.176 29.571 29.700 0.078 0.000 0.750 21 E HN 0.282 nan 8.360 nan 0.000 0.452 22 L N 1.298 122.450 121.223 -0.117 0.000 2.043 22 L HA -0.252 4.088 4.340 0.001 0.000 0.212 22 L C 2.288 179.032 176.870 -0.209 0.000 1.075 22 L CA 1.741 56.467 54.840 -0.191 0.000 0.752 22 L CB -0.863 41.016 42.059 -0.301 0.000 0.891 22 L HN 0.164 nan 8.230 nan 0.000 0.432 23 Q N -1.115 118.495 119.800 -0.318 0.000 2.049 23 Q HA -0.044 4.297 4.340 0.001 0.000 0.198 23 Q C 2.379 178.336 176.000 -0.072 0.000 0.971 23 Q CA 1.573 57.241 55.803 -0.225 0.000 0.833 23 Q CB -0.694 27.896 28.738 -0.245 0.000 0.896 23 Q HN 0.505 nan 8.270 nan 0.000 0.434 24 A N 0.410 123.194 122.820 -0.060 0.000 1.865 24 A HA -0.154 4.167 4.320 0.001 0.000 0.217 24 A C 1.935 179.354 177.584 -0.275 0.000 1.191 24 A CA 1.401 53.355 52.037 -0.138 0.000 0.623 24 A CB -0.878 18.021 19.000 -0.169 0.000 0.826 24 A HN 0.286 nan 8.150 nan 0.000 0.444 25 F N -0.139 119.666 119.950 -0.242 0.000 2.367 25 F HA -0.043 4.485 4.527 0.001 0.000 0.298 25 F C 2.851 178.568 175.800 -0.139 0.000 1.094 25 F CA 1.193 58.967 58.000 -0.378 0.000 1.409 25 F CB -0.205 38.389 39.000 -0.676 0.000 1.064 25 F HN 0.273 nan 8.300 nan 0.000 0.528 26 S N -0.311 115.422 115.700 0.054 0.000 2.419 26 S HA -0.053 4.418 4.470 0.001 0.000 0.233 26 S C 1.090 175.736 174.600 0.076 0.000 1.016 26 S CA 0.387 58.626 58.200 0.064 0.000 0.974 26 S CB -0.427 62.766 63.200 -0.011 0.000 0.786 26 S HN -0.053 nan 8.310 nan 0.000 0.492 30 S N 0.071 115.979 115.700 0.347 0.000 2.584 30 S HA 0.168 4.638 4.470 0.001 0.000 0.270 30 S C 1.158 175.895 174.600 0.229 0.000 1.346 30 S CA 0.524 58.856 58.200 0.221 0.000 1.018 30 S CB 1.923 65.206 63.200 0.139 0.000 0.899 30 S HN 0.060 nan 8.310 nan 0.000 0.542 31 E N 0.608 120.916 120.200 0.180 0.000 2.110 31 E HA -0.199 4.151 4.350 0.001 0.000 0.193 31 E C 1.751 178.381 176.600 0.051 0.000 0.988 31 E CA 1.858 58.359 56.400 0.168 0.000 0.804 31 E CB -0.619 29.226 29.700 0.240 0.000 0.745 31 E HN 0.940 nan 8.360 nan 0.000 0.458 32 H N -1.516 117.559 119.070 0.009 0.000 2.353 32 H HA -0.130 4.426 4.556 0.001 0.000 0.298 32 H C 1.669 177.073 175.328 0.127 0.000 1.103 32 H CA 2.301 58.353 56.048 0.007 0.000 1.293 32 H CB -0.177 29.599 29.762 0.022 0.000 1.372 32 H HN 0.290 nan 8.280 nan 0.000 0.501 33 C N -1.522 117.940 119.300 0.270 0.000 2.513 33 C HA 0.309 4.769 4.460 0.001 0.000 0.292 33 C C 2.847 178.033 174.990 0.328 0.000 1.359 33 C CA 0.556 59.742 59.018 0.281 0.000 1.778 33 C CB -0.298 27.580 27.740 0.231 0.000 2.180 33 C HN 0.787 nan 8.230 nan 0.000 0.509 34 G N -1.965 107.018 108.800 0.304 0.000 2.683 34 G HA2 0.047 4.008 3.960 0.001 0.000 0.213 34 G HA3 0.047 4.008 3.960 0.001 0.000 0.213 34 G C 0.387 175.463 174.900 0.293 0.000 1.142 34 G CA 0.277 45.522 45.100 0.243 0.000 0.793 34 G HN 0.524 nan 8.290 nan 0.000 0.534 35 Y N 0.529 120.869 120.300 0.066 0.000 3.589 35 Y HA -0.259 4.291 4.550 0.001 0.000 0.218 35 Y C 2.130 178.062 175.900 0.054 0.000 1.234 35 Y CA 0.074 58.214 58.100 0.065 0.000 1.576 35 Y CB -2.397 36.074 38.460 0.018 0.000 1.487 35 Y HN 0.205 nan 8.280 nan 0.000 0.616 36 S N -1.256 114.542 115.700 0.162 0.000 2.383 36 S HA -0.249 4.222 4.470 0.001 0.000 0.229 36 S C 1.399 175.958 174.600 -0.069 0.000 1.030 36 S CA 1.900 60.105 58.200 0.009 0.000 1.002 36 S CB -0.241 62.978 63.200 0.032 0.000 0.829 36 S HN 0.769 nan 8.310 nan 0.000 0.467 37 H N 0.371 119.493 119.070 0.087 0.000 2.535 37 H HA 0.083 4.640 4.556 0.001 0.000 0.273 37 H C 2.278 177.666 175.328 0.101 0.000 0.983 37 H CA 1.522 57.614 56.048 0.074 0.000 1.238 37 H CB 0.048 29.855 29.762 0.076 0.000 1.412 37 H HN 0.529 nan 8.280 nan 0.000 0.562 38 T N -3.147 111.538 114.554 0.219 0.000 2.959 38 T HA 0.132 4.482 4.350 0.001 0.000 0.254 38 T C 1.703 176.508 174.700 0.175 0.000 1.003 38 T CA -0.326 61.938 62.100 0.274 0.000 0.950 38 T CB 0.389 69.418 68.868 0.268 0.000 1.090 38 T HN 0.034 nan 8.240 nan 0.000 0.503 39 K N 1.719 122.183 120.400 0.107 0.000 2.044 39 K HA -0.135 4.185 4.320 0.001 0.000 0.210 39 K C 2.243 178.820 176.600 -0.037 0.000 1.049 39 K CA 1.619 57.923 56.287 0.028 0.000 0.927 39 K CB -0.114 32.376 32.500 -0.016 0.000 0.713 39 K HN 0.401 nan 8.250 nan 0.000 0.443 40 K N -0.280 120.045 120.400 -0.125 0.000 2.026 40 K HA -0.169 4.151 4.320 0.001 0.000 0.208 40 K C 2.203 178.724 176.600 -0.130 0.000 1.048 40 K CA 1.657 57.836 56.287 -0.180 0.000 0.929 40 K CB -0.348 31.971 32.500 -0.302 0.000 0.713 40 K HN 0.132 nan 8.250 nan 0.000 0.439 41 Y N 1.344 121.636 120.300 -0.013 0.000 2.193 41 Y HA -0.191 4.359 4.550 0.001 0.000 0.285 41 Y C 2.124 178.015 175.900 -0.015 0.000 1.166 41 Y CA 0.911 59.001 58.100 -0.016 0.000 1.181 41 Y CB -0.614 37.830 38.460 -0.027 0.000 0.976 41 Y HN 0.033 nan 8.280 nan 0.000 0.520 42 I N -0.510 120.141 120.570 0.136 0.000 2.315 42 I HA -0.272 3.898 4.170 0.001 0.000 0.248 42 I C 2.294 178.425 176.117 0.023 0.000 1.117 42 I CA 1.183 62.522 61.300 0.066 0.000 1.404 42 I CB -0.368 37.656 38.000 0.040 0.000 1.071 42 I HN 0.110 nan 8.210 nan 0.000 0.419 43 R N 0.599 121.102 120.500 0.005 0.000 2.237 43 R HA -0.057 4.283 4.340 0.001 0.000 0.219 43 R C 1.777 178.077 176.300 0.001 0.000 1.080 43 R CA 0.709 56.800 56.100 -0.013 0.000 0.995 43 R CB -0.077 30.203 30.300 -0.034 0.000 0.875 43 R HN 0.356 nan 8.270 nan 0.000 0.462 44 R N -0.095 120.422 120.500 0.029 0.000 2.334 44 R HA 0.203 4.544 4.340 0.001 0.000 0.216 44 R C 0.012 176.338 176.300 0.043 0.000 0.905 44 R CA -0.059 56.066 56.100 0.041 0.000 1.064 44 R CB 0.402 30.745 30.300 0.073 0.000 1.046 44 R HN 0.022 nan 8.270 nan 0.000 0.508 45 L N 3.248 124.491 121.223 0.034 0.000 2.326 45 L HA 0.289 4.630 4.340 0.001 0.000 0.278 45 L C -1.993 174.887 176.870 0.017 0.000 1.092 45 L CA -2.149 52.706 54.840 0.026 0.000 0.810 45 L CB 0.759 42.828 42.059 0.017 0.000 1.153 45 L HN -0.197 nan 8.230 nan 0.000 0.439 46 P HA 0.164 nan 4.420 nan 0.000 0.276 46 P C -1.035 176.276 177.300 0.019 0.000 1.264 46 P CA -0.099 63.015 63.100 0.024 0.000 0.769 46 P CB 0.765 32.490 31.700 0.042 0.000 0.840 47 K N 1.219 121.620 120.400 0.002 0.000 2.238 47 K HA 0.363 4.683 4.320 0.001 0.000 0.239 47 K C 0.346 176.948 176.600 0.003 0.000 0.987 47 K CA -0.684 55.602 56.287 -0.002 0.000 0.857 47 K CB 1.246 33.732 32.500 -0.023 0.000 1.154 47 K HN 0.324 nan 8.250 nan 0.000 0.439 48 T N -0.536 114.030 114.554 0.020 0.000 3.859 48 T HA 0.166 4.516 4.350 0.001 0.000 0.251 48 T C 0.654 175.357 174.700 0.007 0.000 1.079 48 T CA -0.860 61.268 62.100 0.048 0.000 1.151 48 T CB -0.579 68.337 68.868 0.079 0.000 1.173 48 T HN 0.604 nan 8.240 nan 0.000 0.885 49 G N 1.104 109.858 108.800 -0.078 0.000 2.606 49 G HA2 0.433 4.393 3.960 0.001 0.000 0.252 49 G HA3 0.433 4.393 3.960 0.001 0.000 0.252 49 G C 0.079 174.873 174.900 -0.177 0.000 1.206 49 G CA -0.869 44.082 45.100 -0.249 0.000 0.861 49 G HN 0.540 nan 8.290 nan 0.000 0.561 50 F N -2.355 117.604 119.950 0.016 0.000 2.447 50 F HA -0.162 4.365 4.527 0.001 0.000 0.601 50 F C 0.978 176.790 175.800 0.020 0.000 0.503 50 F CA 1.049 59.060 58.000 0.017 0.000 1.216 50 F CB -1.159 37.852 39.000 0.018 0.000 1.979 50 F HN 0.391 nan 8.300 nan 0.000 0.259 51 E N 1.413 121.711 120.200 0.165 0.000 2.194 51 E HA 0.494 4.845 4.350 0.001 0.000 0.284 51 E C 1.332 177.970 176.600 0.062 0.000 1.035 51 E CA 0.544 57.007 56.400 0.106 0.000 0.836 51 E CB 1.102 30.858 29.700 0.093 0.000 1.070 51 E HN 0.339 nan 8.360 nan 0.000 0.401 52 G N 1.754 110.589 108.800 0.060 0.000 2.956 52 G HA2 -0.013 3.947 3.960 0.001 0.000 0.207 52 G HA3 -0.013 3.947 3.960 0.001 0.000 0.207 52 G C 0.579 175.496 174.900 0.029 0.000 1.162 52 G CA 0.505 45.629 45.100 0.039 0.000 0.796 52 G HN 0.638 nan 8.290 nan 0.000 0.527 53 N N -1.061 117.657 118.700 0.031 0.000 2.405 53 N HA 0.743 5.483 4.740 0.001 0.000 0.274 53 N C -0.365 175.153 175.510 0.014 0.000 1.170 53 N CA -0.230 52.832 53.050 0.021 0.000 0.848 53 N CB 1.107 39.612 38.487 0.032 0.000 1.629 53 N HN 0.531 nan 8.380 nan 0.000 0.481 54 A N -0.508 122.306 122.820 -0.009 0.000 2.425 54 A HA 0.723 5.043 4.320 0.001 0.000 0.249 54 A C 1.667 179.234 177.584 -0.027 0.000 1.084 54 A CA 1.090 53.111 52.037 -0.027 0.000 0.781 54 A CB -0.478 18.488 19.000 -0.058 0.000 1.019 54 A HN 2.729 nan 8.150 nan 0.000 0.490 55 G N 0.472 109.250 108.800 -0.037 0.000 2.234 55 G HA2 -0.159 3.801 3.960 0.001 0.000 0.235 55 G HA3 -0.159 3.801 3.960 0.001 0.000 0.235 55 G C 0.133 175.098 174.900 0.108 0.000 0.997 55 G CA 0.122 45.188 45.100 -0.057 0.000 0.623 55 G HN 1.461 nan 8.290 nan 0.000 0.514 56 V N 1.502 121.480 119.914 0.107 0.000 2.370 56 V HA 0.666 4.786 4.120 0.001 0.000 0.283 56 V C 0.058 176.228 176.094 0.126 0.000 1.023 56 V CA -0.618 61.755 62.300 0.123 0.000 0.857 56 V CB 1.706 33.578 31.823 0.082 0.000 0.985 56 V HN 0.347 nan 8.190 nan 0.000 0.443 57 V N 4.325 124.309 119.914 0.117 0.000 2.483 57 V HA 0.360 4.481 4.120 0.001 0.000 0.297 57 V C 0.083 176.195 176.094 0.030 0.000 1.027 57 V CA -0.995 61.357 62.300 0.086 0.000 0.855 57 V CB 1.952 33.838 31.823 0.105 0.000 0.995 57 V HN 0.913 nan 8.190 nan 0.000 0.424 58 N N 2.930 121.658 118.700 0.046 0.000 2.412 58 N HA 0.068 4.808 4.740 0.001 0.000 0.254 58 N C 0.234 175.757 175.510 0.021 0.000 1.232 58 N CA 0.295 53.368 53.050 0.038 0.000 0.880 58 N CB 1.033 39.546 38.487 0.043 0.000 1.076 58 N HN 0.647 nan 8.380 nan 0.000 0.458 59 L N 2.366 123.609 121.223 0.033 0.000 2.541 59 L HA 0.377 4.717 4.340 0.001 0.000 0.187 59 L C 0.345 177.251 176.870 0.059 0.000 1.098 59 L CA 1.117 55.977 54.840 0.032 0.000 0.846 59 L CB -0.092 41.984 42.059 0.029 0.000 1.151 59 L HN 0.817 nan 8.230 nan 0.000 0.492 60 D N -3.566 116.888 120.400 0.090 0.000 2.636 60 D HA 0.170 4.810 4.640 0.001 0.000 0.270 60 D C 0.088 176.437 176.300 0.083 0.000 1.430 60 D CA 0.258 54.313 54.000 0.092 0.000 0.796 60 D CB 0.245 41.125 40.800 0.133 0.000 1.117 60 D HN 0.191 nan 8.370 nan 0.000 0.480 61 D N -0.780 119.660 120.400 0.067 0.000 2.265 61 D HA -0.276 4.364 4.640 0.001 0.000 0.165 61 D C 0.558 176.906 176.300 0.079 0.000 1.190 61 D CA 1.239 55.269 54.000 0.049 0.000 1.121 61 D CB -1.238 39.574 40.800 0.019 0.000 1.158 61 D HN 0.361 nan 8.370 nan 0.000 0.481 62 Y N 0.006 120.240 120.300 -0.110 0.000 2.353 62 Y HA 0.222 4.772 4.550 0.001 0.000 0.294 62 Y C 0.203 175.876 175.900 -0.378 0.000 1.135 62 Y CA 0.852 58.786 58.100 -0.277 0.000 1.176 62 Y CB 0.081 38.321 38.460 -0.366 0.000 1.124 62 Y HN -0.049 nan 8.280 nan 0.000 0.537 63 Y N 0.090 120.398 120.300 0.013 0.000 2.387 63 Y HA 0.518 5.068 4.550 0.001 0.000 0.336 63 Y C 0.426 176.300 175.900 -0.044 0.000 1.067 63 Y CA -0.922 57.124 58.100 -0.091 0.000 1.114 63 Y CB 1.727 40.095 38.460 -0.152 0.000 1.208 63 Y HN -0.283 nan 8.280 nan 0.000 0.458 64 S N 0.963 116.736 115.700 0.121 0.000 2.681 64 S HA 0.670 5.140 4.470 0.001 0.000 0.299 64 S C -0.996 173.580 174.600 -0.040 0.000 1.113 64 S CA -0.809 57.414 58.200 0.040 0.000 1.013 64 S CB 1.661 64.889 63.200 0.047 0.000 1.076 64 S HN 0.314 nan 8.310 nan 0.000 0.534 65 V N 2.066 121.905 119.914 -0.126 0.000 2.370 65 V HA 0.599 4.720 4.120 0.001 0.000 0.283 65 V C 0.104 176.171 176.094 -0.045 0.000 1.023 65 V CA -0.705 61.446 62.300 -0.249 0.000 0.857 65 V CB 1.015 32.485 31.823 -0.587 0.000 0.985 65 V HN 0.971 nan 8.190 nan 0.000 0.443 66 A N 6.871 129.702 122.820 0.017 0.000 2.302 66 A HA 0.815 5.136 4.320 0.001 0.000 0.295 66 A C -0.684 177.039 177.584 0.231 0.000 1.235 66 A CA -0.176 51.939 52.037 0.130 0.000 0.876 66 A CB -0.112 18.937 19.000 0.082 0.000 1.133 66 A HN 1.001 nan 8.150 nan 0.000 0.533 67 F N 0.759 120.687 119.950 -0.036 0.000 2.619 67 F HA 0.864 5.391 4.527 0.001 0.000 0.308 67 F C -0.965 174.831 175.800 -0.008 0.000 1.097 67 F CA -1.735 56.255 58.000 -0.017 0.000 0.953 67 F CB 1.504 40.496 39.000 -0.013 0.000 1.287 67 F HN 0.544 nan 8.300 nan 0.000 0.446 68 K N 3.697 124.000 120.400 -0.160 0.000 2.572 68 K HA 0.567 4.887 4.320 0.001 0.000 0.263 68 K C -2.274 174.262 176.600 -0.107 0.000 0.932 68 K CA -0.676 55.461 56.287 -0.249 0.000 0.838 68 K CB 2.981 35.386 32.500 -0.158 0.000 1.366 68 K HN 0.980 nan 8.250 nan 0.000 0.425 69 I N 1.994 122.494 120.570 -0.116 0.000 2.460 69 I HA 0.380 4.551 4.170 0.001 0.000 0.298 69 I C -0.995 175.108 176.117 -0.023 0.000 0.989 69 I CA -0.269 61.009 61.300 -0.037 0.000 1.173 69 I CB 1.517 39.501 38.000 -0.026 0.000 1.338 69 I HN 0.700 nan 8.210 nan 0.000 0.456 70 E N 4.100 124.305 120.200 0.008 0.000 2.340 70 E HA 0.390 4.740 4.350 0.001 0.000 0.273 70 E C -1.208 175.431 176.600 0.065 0.000 0.891 70 E CA -0.714 55.707 56.400 0.035 0.000 0.757 70 E CB 1.917 31.637 29.700 0.034 0.000 1.231 70 E HN 0.654 nan 8.360 nan 0.000 0.439 71 S N 1.867 117.623 115.700 0.094 0.000 2.616 71 S HA 0.363 4.834 4.470 0.001 0.000 0.277 71 S C -0.007 174.722 174.600 0.215 0.000 1.234 71 S CA -0.538 57.729 58.200 0.112 0.000 1.028 71 S CB 1.079 64.321 63.200 0.070 0.000 0.988 71 S HN 0.690 nan 8.310 nan 0.000 0.522 72 H N 1.170 120.255 119.070 0.025 0.000 2.924 72 H HA 0.252 4.809 4.556 0.001 0.000 0.229 72 H C 0.034 175.358 175.328 -0.007 0.000 1.345 72 H CA -0.387 55.678 56.048 0.027 0.000 1.044 72 H CB 0.113 29.871 29.762 -0.007 0.000 2.221 72 H HN 0.635 nan 8.280 nan 0.000 0.574 73 N N 0.209 118.875 118.700 -0.055 0.000 2.043 73 N HA -0.152 4.588 4.740 0.001 0.000 0.193 73 N C 1.625 177.015 175.510 -0.200 0.000 1.037 73 N CA 1.262 54.211 53.050 -0.168 0.000 0.851 73 N CB -0.279 38.023 38.487 -0.310 0.000 1.027 73 N HN 0.602 nan 8.380 nan 0.000 0.422 74 H N 0.707 119.753 119.070 -0.040 0.000 2.293 74 H HA -0.005 4.552 4.556 0.001 0.000 0.300 74 H C -0.582 174.699 175.328 -0.078 0.000 1.082 74 H CA 1.411 57.430 56.048 -0.048 0.000 1.308 74 H CB -1.597 28.131 29.762 -0.058 0.000 1.375 74 H HN 0.299 nan 8.280 nan 0.000 0.495 75 P HA -0.084 nan 4.420 nan 0.000 0.216 75 P C 1.694 178.994 177.300 0.000 0.000 1.150 75 P CA 1.403 64.462 63.100 -0.069 0.000 0.843 75 P CB -0.027 31.546 31.700 -0.213 0.000 0.787 76 S N -0.240 115.462 115.700 0.003 0.000 2.423 76 S HA -0.035 4.435 4.470 0.001 0.000 0.231 76 S C 2.128 176.740 174.600 0.020 0.000 1.014 76 S CA 1.141 59.355 58.200 0.023 0.000 0.965 76 S CB -0.785 62.428 63.200 0.021 0.000 0.785 76 S HN 0.206 nan 8.310 nan 0.000 0.495 77 A N 1.227 124.060 122.820 0.021 0.000 1.930 77 A HA 0.047 4.368 4.320 0.001 0.000 0.217 77 A C 2.002 179.618 177.584 0.054 0.000 1.175 77 A CA 0.953 53.014 52.037 0.041 0.000 0.627 77 A CB -0.492 18.549 19.000 0.069 0.000 0.815 77 A HN 0.489 nan 8.150 nan 0.000 0.443 78 I N -1.573 119.029 120.570 0.053 0.000 2.333 78 I HA -0.016 4.154 4.170 0.001 0.000 0.246 78 I C 0.662 176.808 176.117 0.048 0.000 1.106 78 I CA 0.839 62.170 61.300 0.052 0.000 1.411 78 I CB 0.207 38.233 38.000 0.044 0.000 1.082 78 I HN 0.148 nan 8.210 nan 0.000 0.420 79 E N -0.020 120.209 120.200 0.048 0.000 2.761 79 E HA 0.192 4.543 4.350 0.001 0.000 0.266 79 E C -2.002 174.640 176.600 0.069 0.000 1.097 79 E CA -1.562 54.874 56.400 0.061 0.000 0.773 79 E CB 1.492 31.233 29.700 0.069 0.000 1.453 79 E HN -0.062 nan 8.360 nan 0.000 0.388 80 P HA -0.211 nan 4.420 nan 0.000 0.216 80 P C 1.247 178.584 177.300 0.062 0.000 1.157 80 P CA 1.219 64.347 63.100 0.046 0.000 0.880 80 P CB 0.050 31.769 31.700 0.032 0.000 0.791 81 Y N 0.372 120.657 120.300 -0.025 0.000 2.109 81 Y HA -0.173 4.378 4.550 0.001 0.000 0.285 81 Y C 2.133 178.027 175.900 -0.010 0.000 1.131 81 Y CA 1.714 59.794 58.100 -0.032 0.000 1.121 81 Y CB -0.858 37.584 38.460 -0.031 0.000 0.987 81 Y HN -0.130 nan 8.280 nan 0.000 0.495 82 N N 0.011 118.786 118.700 0.125 0.000 2.244 82 N HA -0.106 4.635 4.740 0.001 0.000 0.183 82 N C 1.950 177.462 175.510 0.003 0.000 1.016 82 N CA 1.180 54.258 53.050 0.046 0.000 0.866 82 N CB -0.708 37.853 38.487 0.123 0.000 0.980 82 N HN 0.561 nan 8.380 nan 0.000 0.430 83 G N 0.687 109.514 108.800 0.045 0.000 2.404 83 G HA2 -0.147 3.814 3.960 0.001 0.000 0.215 83 G HA3 -0.147 3.814 3.960 0.001 0.000 0.215 83 G C 1.654 176.619 174.900 0.108 0.000 1.174 83 G CA 1.052 46.226 45.100 0.124 0.000 0.780 83 G HN 0.413 nan 8.290 nan 0.000 0.537 84 A N 1.098 123.894 122.820 -0.039 0.000 1.897 84 A HA 0.374 4.694 4.320 0.001 0.000 0.215 84 A C 2.815 180.242 177.584 -0.262 0.000 1.181 84 A CA 2.071 54.036 52.037 -0.120 0.000 0.620 84 A CB -0.800 18.125 19.000 -0.124 0.000 0.821 84 A HN 0.740 nan 8.150 nan 0.000 0.443 85 A N -0.959 121.660 122.820 -0.336 0.000 1.902 85 A HA -0.109 4.212 4.320 0.001 0.000 0.217 85 A C 2.304 179.517 177.584 -0.618 0.000 1.181 85 A CA 2.366 54.148 52.037 -0.426 0.000 0.623 85 A CB -1.264 17.529 19.000 -0.345 0.000 0.818 85 A HN 0.412 nan 8.150 nan 0.000 0.443 86 T N -0.394 113.919 114.554 -0.401 0.000 2.821 86 T HA 0.018 4.368 4.350 0.001 0.000 0.267 86 T C 1.960 176.259 174.700 -0.669 0.000 1.046 86 T CA 1.234 63.096 62.100 -0.396 0.000 1.139 86 T CB -0.559 68.250 68.868 -0.099 0.000 0.871 86 T HN 0.598 nan 8.240 nan 0.000 0.454 87 G N 1.324 109.610 108.800 -0.858 0.000 2.476 87 G HA2 -0.214 3.747 3.960 0.001 0.000 0.218 87 G HA3 -0.214 3.747 3.960 0.001 0.000 0.218 87 G C 1.681 176.260 174.900 -0.536 0.000 1.164 87 G CA 1.114 45.648 45.100 -0.942 0.000 0.768 87 G HN 0.439 nan 8.290 nan 0.000 0.560 88 V N 1.554 121.158 119.914 -0.517 0.000 2.295 88 V HA -0.080 4.041 4.120 0.001 0.000 0.246 88 V C 3.161 178.949 176.094 -0.511 0.000 1.049 88 V CA 2.043 64.071 62.300 -0.454 0.000 1.024 88 V CB -1.171 30.379 31.823 -0.454 0.000 0.648 88 V HN 0.455 nan 8.190 nan 0.000 0.447 89 G N -0.034 108.251 108.800 -0.858 0.000 2.442 89 G HA2 -0.158 3.802 3.960 0.001 0.000 0.219 89 G HA3 -0.158 3.802 3.960 0.001 0.000 0.219 89 G C 1.601 176.362 174.900 -0.231 0.000 1.141 89 G CA 0.993 45.795 45.100 -0.497 0.000 0.763 89 G HN 0.594 nan 8.290 nan 0.000 0.554 90 G N 0.853 109.490 108.800 -0.272 0.000 2.404 90 G HA2 -0.146 3.815 3.960 0.001 0.000 0.215 90 G HA3 -0.146 3.815 3.960 0.001 0.000 0.215 90 G C 1.692 176.521 174.900 -0.117 0.000 1.174 90 G CA 0.929 45.930 45.100 -0.164 0.000 0.780 90 G HN 0.356 nan 8.290 nan 0.000 0.537 91 I N 0.929 121.422 120.570 -0.129 0.000 2.439 91 I HA -0.005 4.166 4.170 0.001 0.000 0.251 91 I C 2.302 178.385 176.117 -0.056 0.000 1.139 91 I CA 0.173 61.427 61.300 -0.076 0.000 1.438 91 I CB -0.090 37.874 38.000 -0.060 0.000 1.085 91 I HN 0.026 nan 8.210 nan 0.000 0.427 92 I N 0.472 121.005 120.570 -0.061 0.000 2.226 92 I HA -0.261 3.909 4.170 0.001 0.000 0.245 92 I C 2.556 178.642 176.117 -0.051 0.000 1.100 92 I CA 1.409 62.692 61.300 -0.028 0.000 1.374 92 I CB -1.287 36.719 38.000 0.009 0.000 1.057 92 I HN 0.291 nan 8.210 nan 0.000 0.413 93 R N 0.195 120.647 120.500 -0.080 0.000 2.115 93 R HA -0.165 4.175 4.340 0.001 0.000 0.230 93 R C 2.001 178.217 176.300 -0.140 0.000 1.111 93 R CA 1.200 57.222 56.100 -0.130 0.000 0.976 93 R CB -0.298 29.922 30.300 -0.132 0.000 0.870 93 R HN 0.438 nan 8.270 nan 0.000 0.445 94 D N 0.191 120.535 120.400 -0.093 0.000 2.097 94 D HA -0.121 4.520 4.640 0.001 0.000 0.195 94 D C 1.828 178.092 176.300 -0.059 0.000 0.989 94 D CA 1.189 55.145 54.000 -0.074 0.000 0.827 94 D CB 0.303 41.071 40.800 -0.053 0.000 0.966 94 D HN -0.010 nan 8.370 nan 0.000 0.456 95 V N 1.346 121.238 119.914 -0.037 0.000 2.307 95 V HA -0.220 3.901 4.120 0.001 0.000 0.245 95 V C 2.613 178.706 176.094 -0.000 0.000 1.045 95 V CA 0.958 63.258 62.300 -0.000 0.000 1.024 95 V CB -0.463 31.377 31.823 0.029 0.000 0.651 95 V HN 0.185 nan 8.190 nan 0.000 0.449 96 L N 0.809 122.007 121.223 -0.041 0.000 2.021 96 L HA -0.076 4.264 4.340 0.001 0.000 0.215 96 L C 1.678 178.468 176.870 -0.134 0.000 1.074 96 L CA 1.952 56.755 54.840 -0.062 0.000 0.760 96 L CB -0.878 41.087 42.059 -0.157 0.000 0.889 96 L HN 0.286 nan 8.230 nan 0.000 0.433 100 A N 0.628 123.543 122.820 0.158 0.000 2.312 100 A HA 0.796 5.117 4.320 0.001 0.000 0.326 100 A C 0.318 177.964 177.584 0.104 0.000 1.172 100 A CA -0.663 51.436 52.037 0.104 0.000 0.821 100 A CB 0.757 19.798 19.000 0.068 0.000 1.166 100 A HN 0.318 nan 8.150 nan 0.000 0.493 101 R N 2.648 123.196 120.500 0.080 0.000 2.404 101 R HA 0.220 4.561 4.340 0.001 0.000 0.315 101 R C -2.515 173.817 176.300 0.053 0.000 1.032 101 R CA -1.221 54.920 56.100 0.068 0.000 0.992 101 R CB 0.037 30.367 30.300 0.049 0.000 0.959 101 R HN 0.366 nan 8.270 nan 0.000 0.428 102 P HA 0.034 nan 4.420 nan 0.000 0.267 102 P C -0.450 176.877 177.300 0.046 0.000 1.209 102 P CA 0.144 63.274 63.100 0.049 0.000 0.763 102 P CB 1.407 33.130 31.700 0.039 0.000 0.816 103 T N 1.081 115.670 114.554 0.058 0.000 3.041 103 T HA 0.479 4.829 4.350 0.001 0.000 0.276 103 T C -0.112 174.621 174.700 0.056 0.000 0.948 103 T CA 0.083 62.213 62.100 0.050 0.000 0.885 103 T CB 0.241 69.139 68.868 0.050 0.000 1.175 103 T HN 0.443 nan 8.240 nan 0.000 0.529 104 A N 1.091 123.960 122.820 0.083 0.000 2.488 104 A HA 0.787 5.107 4.320 0.001 0.000 0.298 104 A C -1.502 176.139 177.584 0.094 0.000 1.044 104 A CA -0.562 51.526 52.037 0.084 0.000 0.693 104 A CB 1.139 20.226 19.000 0.145 0.000 1.272 104 A HN 0.367 nan 8.150 nan 0.000 0.402 105 I N 1.473 122.076 120.570 0.055 0.000 2.509 105 I HA 0.526 4.696 4.170 0.001 0.000 0.293 105 I C -1.422 174.739 176.117 0.074 0.000 1.020 105 I CA -0.469 60.871 61.300 0.068 0.000 1.088 105 I CB 2.086 40.095 38.000 0.014 0.000 1.267 105 I HN 0.621 nan 8.210 nan 0.000 0.430 106 F N 4.937 124.898 119.950 0.019 0.000 2.536 106 F HA 0.432 4.959 4.527 0.001 0.000 0.322 106 F C -0.558 175.261 175.800 0.032 0.000 1.144 106 F CA -0.777 57.239 58.000 0.026 0.000 0.924 106 F CB 1.211 40.245 39.000 0.057 0.000 1.181 106 F HN 0.374 nan 8.300 nan 0.000 0.438 107 D N 2.932 123.519 120.400 0.312 0.000 2.175 107 D HA 0.230 4.870 4.640 0.001 0.000 0.248 107 D C -0.832 175.642 176.300 0.291 0.000 1.047 107 D CA -0.199 53.946 54.000 0.242 0.000 0.883 107 D CB 2.141 43.043 40.800 0.171 0.000 1.180 107 D HN 0.338 nan 8.370 nan 0.000 0.438 108 S N 2.177 117.990 115.700 0.188 0.000 2.718 108 S HA 0.437 4.908 4.470 0.001 0.000 0.294 108 S C -0.790 173.831 174.600 0.035 0.000 1.157 108 S CA -0.728 57.549 58.200 0.127 0.000 1.121 108 S CB -0.077 63.250 63.200 0.211 0.000 1.015 108 S HN 0.269 nan 8.310 nan 0.000 0.479 109 L N 6.202 127.310 121.223 -0.191 0.000 2.329 109 L HA 0.696 5.036 4.340 0.001 0.000 0.279 109 L C 0.170 176.705 176.870 -0.558 0.000 1.014 109 L CA -0.873 53.845 54.840 -0.202 0.000 0.814 109 L CB 1.477 43.467 42.059 -0.115 0.000 1.257 109 L HN 0.629 nan 8.230 nan 0.000 0.424 113 R N 0.358 120.811 120.500 -0.078 0.000 2.716 113 R HA 0.540 4.880 4.340 0.001 0.000 0.271 113 R C -1.766 174.489 176.300 -0.075 0.000 1.028 113 R CA -0.848 55.208 56.100 -0.073 0.000 0.883 113 R CB 0.984 31.241 30.300 -0.071 0.000 1.250 113 R HN 0.290 nan 8.270 nan 0.000 0.465 114 I N 4.261 124.790 120.570 -0.068 0.000 2.574 114 I HA 0.051 4.221 4.170 0.001 0.000 0.291 114 I C 0.406 176.487 176.117 -0.059 0.000 1.131 114 I CA 0.119 61.376 61.300 -0.072 0.000 1.352 114 I CB 0.202 38.165 38.000 -0.061 0.000 1.431 114 I HN 0.254 nan 8.210 nan 0.000 0.543 115 I N 6.563 127.091 120.570 -0.070 0.000 2.278 115 I HA 0.040 4.210 4.170 0.001 0.000 0.296 115 I C 1.222 177.303 176.117 -0.060 0.000 1.121 115 I CA -0.063 61.203 61.300 -0.057 0.000 1.267 115 I CB -0.073 37.893 38.000 -0.056 0.000 1.447 115 I HN 0.563 nan 8.210 nan 0.000 0.509 116 D N 5.285 125.667 120.400 -0.030 0.000 2.191 116 D HA -0.226 4.414 4.640 0.001 0.000 0.190 116 D C 2.051 178.279 176.300 -0.120 0.000 1.007 116 D CA 1.975 55.958 54.000 -0.030 0.000 0.865 116 D CB 0.005 40.840 40.800 0.059 0.000 0.929 116 D HN 0.693 nan 8.370 nan 0.000 0.447 117 G N 0.418 109.198 108.800 -0.034 0.000 2.432 117 G HA2 -0.189 3.771 3.960 0.001 0.000 0.219 117 G HA3 -0.189 3.771 3.960 0.001 0.000 0.219 117 G C 1.846 176.752 174.900 0.009 0.000 1.135 117 G CA 0.331 45.470 45.100 0.064 0.000 0.767 117 G HN 0.290 nan 8.290 nan 0.000 0.550 118 I N -0.009 120.523 120.570 -0.064 0.000 2.193 118 I HA -0.079 4.091 4.170 0.001 0.000 0.240 118 I C 2.516 178.543 176.117 -0.150 0.000 1.084 118 I CA 0.601 61.845 61.300 -0.094 0.000 1.365 118 I CB -0.140 37.815 38.000 -0.074 0.000 1.064 118 I HN 0.075 nan 8.210 nan 0.000 0.410 119 I N 0.727 121.159 120.570 -0.229 0.000 2.226 119 I HA -0.287 3.883 4.170 0.001 0.000 0.245 119 I C 2.548 178.443 176.117 -0.371 0.000 1.100 119 I CA 1.559 62.645 61.300 -0.357 0.000 1.374 119 I CB -0.483 37.247 38.000 -0.451 0.000 1.057 119 I HN 0.215 nan 8.210 nan 0.000 0.413 120 E N 0.358 120.194 120.200 -0.606 0.000 2.106 120 E HA -0.161 4.189 4.350 0.001 0.000 0.192 120 E C 2.385 178.860 176.600 -0.210 0.000 0.984 120 E CA 1.058 57.111 56.400 -0.579 0.000 0.806 120 E CB -0.308 29.038 29.700 -0.589 0.000 0.750 120 E HN 0.522 nan 8.360 nan 0.000 0.458 121 G N 1.112 109.727 108.800 -0.309 0.000 2.422 121 G HA2 -0.218 3.743 3.960 0.001 0.000 0.218 121 G HA3 -0.218 3.743 3.960 0.001 0.000 0.218 121 G C 1.557 176.242 174.900 -0.358 0.000 1.146 121 G CA 0.603 45.283 45.100 -0.700 0.000 0.769 121 G HN 0.212 nan 8.290 nan 0.000 0.547 122 I N 1.037 121.488 120.570 -0.199 0.000 2.233 122 I HA -0.080 4.090 4.170 0.001 0.000 0.243 122 I C 3.286 179.284 176.117 -0.199 0.000 1.093 122 I CA 0.805 62.030 61.300 -0.125 0.000 1.380 122 I CB -0.234 37.781 38.000 0.025 0.000 1.067 122 I HN 0.242 nan 8.210 nan 0.000 0.413 123 A N 0.916 123.621 122.820 -0.190 0.000 1.865 123 A HA -0.253 4.068 4.320 0.001 0.000 0.217 123 A C 1.932 179.405 177.584 -0.185 0.000 1.191 123 A CA 2.250 54.019 52.037 -0.447 0.000 0.623 123 A CB -0.700 18.304 19.000 0.007 0.000 0.826 123 A HN 0.338 nan 8.150 nan 0.000 0.444 124 D N -1.854 118.516 120.400 -0.050 0.000 2.117 124 D HA -0.145 4.496 4.640 0.001 0.000 0.197 124 D C 1.713 177.987 176.300 -0.043 0.000 0.987 124 D CA 1.520 55.531 54.000 0.019 0.000 0.829 124 D CB -0.470 40.393 40.800 0.106 0.000 0.961 124 D HN 0.590 nan 8.370 nan 0.000 0.460 125 Y N 1.358 121.551 120.300 -0.179 0.000 2.163 125 Y HA -0.062 4.488 4.550 0.001 0.000 0.288 125 Y C 2.418 178.218 175.900 -0.167 0.000 1.136 125 Y CA 1.956 59.938 58.100 -0.198 0.000 1.147 125 Y CB -0.522 37.806 38.460 -0.219 0.000 0.987 125 Y HN -0.021 nan 8.280 nan 0.000 0.509 126 G N 0.098 108.940 108.800 0.070 0.000 2.440 126 G HA2 -0.319 3.641 3.960 0.001 0.000 0.218 126 G HA3 -0.319 3.641 3.960 0.001 0.000 0.218 126 G C 1.580 176.508 174.900 0.046 0.000 1.154 126 G CA 1.125 46.267 45.100 0.071 0.000 0.767 126 G HN 0.349 nan 8.290 nan 0.000 0.552 127 N N 0.788 119.526 118.700 0.063 0.000 2.166 127 N HA -0.070 4.671 4.740 0.001 0.000 0.186 127 N C 2.484 177.951 175.510 -0.072 0.000 1.019 127 N CA 1.326 54.407 53.050 0.052 0.000 0.856 127 N CB -0.294 38.258 38.487 0.107 0.000 0.993 127 N HN 0.228 nan 8.380 nan 0.000 0.426 128 S N 0.807 116.375 115.700 -0.221 0.000 2.436 128 S HA 0.035 4.505 4.470 0.001 0.000 0.228 128 S C 1.944 176.280 174.600 -0.441 0.000 1.014 128 S CA 0.394 58.333 58.200 -0.436 0.000 0.950 128 S CB -0.041 62.635 63.200 -0.873 0.000 0.784 128 S HN 0.518 nan 8.310 nan 0.000 0.504 129 I N -1.236 119.112 120.570 -0.369 0.000 3.419 129 I HA 0.384 4.554 4.170 0.001 0.000 0.286 129 I C 1.337 177.394 176.117 -0.100 0.000 1.268 129 I CA 0.474 61.629 61.300 -0.242 0.000 1.414 129 I CB -0.674 37.214 38.000 -0.186 0.000 1.074 129 I HN 0.257 nan 8.210 nan 0.000 0.457 130 G N 1.725 110.482 108.800 -0.072 0.000 2.160 130 G HA2 -0.196 3.765 3.960 0.001 0.000 0.244 130 G HA3 -0.196 3.765 3.960 0.001 0.000 0.244 130 G C -0.037 174.852 174.900 -0.018 0.000 1.022 130 G CA 0.180 45.262 45.100 -0.031 0.000 0.741 130 G HN 0.334 nan 8.290 nan 0.000 0.508 131 V N 2.165 122.072 119.914 -0.012 0.000 2.378 131 V HA 0.502 4.622 4.120 0.001 0.000 0.288 131 V C -1.546 174.543 176.094 -0.008 0.000 1.016 131 V CA -1.645 60.655 62.300 0.000 0.000 0.840 131 V CB 1.901 33.736 31.823 0.020 0.000 0.994 131 V HN 0.234 nan 8.190 nan 0.000 0.431 132 P HA 0.170 nan 4.420 nan 0.000 0.271 132 P C -0.107 177.140 177.300 -0.088 0.000 1.216 132 P CA -0.065 62.985 63.100 -0.084 0.000 0.771 132 P CB 0.474 32.118 31.700 -0.094 0.000 0.864 133 T N 2.012 116.475 114.554 -0.152 0.000 2.752 133 T HA 0.153 4.504 4.350 0.001 0.000 0.295 133 T C 1.484 176.040 174.700 -0.240 0.000 0.923 133 T CA -0.267 61.721 62.100 -0.188 0.000 1.112 133 T CB 0.230 68.968 68.868 -0.218 0.000 0.884 133 T HN 0.321 nan 8.240 nan 0.000 0.525 134 V N 1.395 121.177 119.914 -0.221 0.000 3.471 134 V HA 0.614 4.734 4.120 0.001 0.000 0.258 134 V C 0.852 176.699 176.094 -0.413 0.000 1.192 134 V CA 0.815 62.977 62.300 -0.230 0.000 1.116 134 V CB -0.415 31.339 31.823 -0.114 0.000 0.792 134 V HN 0.900 nan 8.190 nan 0.000 0.459 135 G N -1.591 106.759 108.800 -0.751 0.000 2.495 135 G HA2 0.637 4.598 3.960 0.001 0.000 0.294 135 G HA3 0.637 4.598 3.960 0.001 0.000 0.294 135 G C -0.875 173.296 174.900 -1.215 0.000 1.397 135 G CA -0.206 44.189 45.100 -1.174 0.000 0.790 135 G HN 0.976 nan 8.290 nan 0.000 0.486 136 G N -0.896 107.448 108.800 -0.760 0.000 2.759 136 G HA2 0.570 4.531 3.960 0.001 0.000 0.297 136 G HA3 0.570 4.531 3.960 0.001 0.000 0.297 136 G C -1.576 173.454 174.900 0.216 0.000 1.434 136 G CA -0.365 44.681 45.100 -0.089 0.000 0.980 136 G HN 0.598 nan 8.290 nan 0.000 0.531 137 E N 1.431 121.836 120.200 0.341 0.000 2.145 137 E HA 0.567 4.917 4.350 0.001 0.000 0.270 137 E C -1.409 175.196 176.600 0.008 0.000 0.906 137 E CA -0.686 55.833 56.400 0.198 0.000 0.761 137 E CB 1.391 31.222 29.700 0.217 0.000 1.116 137 E HN 0.200 nan 8.360 nan 0.000 0.408 138 L N 5.110 126.313 121.223 -0.033 0.000 2.372 138 L HA 0.465 4.805 4.340 0.001 0.000 0.274 138 L C -0.624 176.173 176.870 -0.122 0.000 0.988 138 L CA -0.463 54.303 54.840 -0.123 0.000 0.833 138 L CB 1.536 43.553 42.059 -0.071 0.000 1.236 138 L HN 0.448 nan 8.230 nan 0.000 0.410 139 R N 4.607 124.978 120.500 -0.216 0.000 2.599 139 R HA 0.656 4.996 4.340 0.001 0.000 0.295 139 R C -1.130 175.106 176.300 -0.107 0.000 0.963 139 R CA -0.742 55.315 56.100 -0.071 0.000 0.883 139 R CB 2.641 32.989 30.300 0.080 0.000 1.171 139 R HN 0.341 nan 8.270 nan 0.000 0.450 140 I N 1.369 121.899 120.570 -0.067 0.000 2.389 140 I HA 0.314 4.485 4.170 0.001 0.000 0.288 140 I C -0.041 175.960 176.117 -0.194 0.000 0.999 140 I CA -0.308 60.927 61.300 -0.108 0.000 1.129 140 I CB 1.541 39.496 38.000 -0.075 0.000 1.288 140 I HN 0.489 nan 8.210 nan 0.000 0.444 141 S N 3.236 118.818 115.700 -0.197 0.000 2.566 141 S HA 0.235 4.705 4.470 0.001 0.000 0.273 141 S C 0.878 175.389 174.600 -0.149 0.000 1.157 141 S CA -0.133 57.862 58.200 -0.342 0.000 0.938 141 S CB 1.437 64.071 63.200 -0.944 0.000 1.087 141 S HN 0.700 nan 8.310 nan 0.000 0.474 142 S N 4.509 120.116 115.700 -0.154 0.000 2.465 142 S HA -0.074 4.396 4.470 0.001 0.000 0.241 142 S C 1.621 176.147 174.600 -0.123 0.000 1.000 142 S CA 0.962 59.095 58.200 -0.111 0.000 0.964 142 S CB -0.752 62.396 63.200 -0.088 0.000 0.763 142 S HN 0.748 nan 8.310 nan 0.000 0.512 143 L N -0.919 120.186 121.223 -0.198 0.000 2.456 143 L HA 0.032 4.373 4.340 0.001 0.000 0.224 143 L C 1.270 177.925 176.870 -0.358 0.000 1.148 143 L CA 0.885 55.563 54.840 -0.271 0.000 0.825 143 L CB -0.509 41.350 42.059 -0.334 0.000 0.937 143 L HN 0.351 nan 8.230 nan 0.000 0.450 144 Y N -1.351 118.881 120.300 -0.113 0.000 2.555 144 Y HA 0.273 4.824 4.550 0.001 0.000 0.259 144 Y C 2.099 177.929 175.900 -0.117 0.000 1.179 144 Y CA 0.004 58.051 58.100 -0.087 0.000 1.230 144 Y CB -0.243 38.171 38.460 -0.077 0.000 1.146 144 Y HN 0.040 nan 8.280 nan 0.000 0.526 145 A N -0.278 122.507 122.820 -0.059 0.000 1.908 145 A HA -0.207 4.114 4.320 0.001 0.000 0.218 145 A C 1.576 178.915 177.584 -0.409 0.000 1.181 145 A CA 1.899 53.792 52.037 -0.240 0.000 0.627 145 A CB -0.508 18.296 19.000 -0.326 0.000 0.818 145 A HN 0.508 nan 8.150 nan 0.000 0.445 146 H N -1.605 117.345 119.070 -0.200 0.000 2.594 146 H HA 0.183 4.739 4.556 0.001 0.000 0.279 146 H C -0.608 174.679 175.328 -0.069 0.000 1.042 146 H CA 0.198 56.085 56.048 -0.269 0.000 1.177 146 H CB 0.104 29.398 29.762 -0.779 0.000 1.524 146 H HN 0.534 nan 8.280 nan 0.000 0.537 147 N N 1.732 120.472 118.700 0.066 0.000 2.726 147 N HA 0.128 4.868 4.740 0.001 0.000 0.253 147 N C -2.928 172.643 175.510 0.101 0.000 1.530 147 N CA -1.022 52.079 53.050 0.086 0.000 0.772 147 N CB 1.808 40.355 38.487 0.100 0.000 1.220 147 N HN 0.068 nan 8.380 nan 0.000 0.508 148 P HA 0.074 nan 4.420 nan 0.000 0.271 148 P C -0.517 176.781 177.300 -0.003 0.000 1.216 148 P CA -0.023 63.085 63.100 0.013 0.000 0.771 148 P CB 1.127 32.814 31.700 -0.022 0.000 0.864 149 L N 3.533 124.740 121.223 -0.027 0.000 2.264 149 L HA 0.351 4.691 4.340 0.001 0.000 0.289 149 L C 0.089 176.983 176.870 0.041 0.000 1.044 149 L CA -0.912 53.922 54.840 -0.010 0.000 0.807 149 L CB 1.310 43.328 42.059 -0.068 0.000 1.192 149 L HN 0.100 nan 8.230 nan 0.000 0.425 150 V N 3.669 123.606 119.914 0.038 0.000 2.304 150 V HA 0.288 4.408 4.120 0.001 0.000 0.278 150 V C -0.171 175.968 176.094 0.076 0.000 1.018 150 V CA -0.539 61.795 62.300 0.056 0.000 0.814 150 V CB 0.973 32.823 31.823 0.045 0.000 1.021 150 V HN 0.758 nan 8.190 nan 0.000 0.440 151 N N 3.094 121.849 118.700 0.093 0.000 2.372 151 N HA 0.713 5.453 4.740 0.001 0.000 0.291 151 N C -1.231 174.329 175.510 0.083 0.000 1.024 151 N CA -0.560 52.541 53.050 0.085 0.000 0.873 151 N CB 2.709 41.255 38.487 0.097 0.000 1.206 151 N HN 0.368 nan 8.380 nan 0.000 0.486 152 V N 3.065 123.012 119.914 0.056 0.000 2.531 152 V HA 0.390 4.510 4.120 0.001 0.000 0.301 152 V C -0.352 175.777 176.094 0.057 0.000 1.034 152 V CA -0.761 61.571 62.300 0.053 0.000 0.865 152 V CB 1.959 33.775 31.823 -0.011 0.000 0.995 152 V HN 0.528 nan 8.190 nan 0.000 0.424 153 L N 4.374 125.660 121.223 0.106 0.000 2.317 153 L HA 0.959 5.299 4.340 0.001 0.000 0.281 153 L C 0.008 176.960 176.870 0.137 0.000 1.024 153 L CA -0.185 54.722 54.840 0.113 0.000 0.810 153 L CB 1.517 43.657 42.059 0.136 0.000 1.240 153 L HN 0.808 nan 8.230 nan 0.000 0.427 154 A N 3.983 126.873 122.820 0.116 0.000 2.401 154 A HA 0.966 5.286 4.320 0.001 0.000 0.310 154 A C -1.150 176.533 177.584 0.165 0.000 1.075 154 A CA -0.118 51.989 52.037 0.117 0.000 0.746 154 A CB 1.793 20.828 19.000 0.058 0.000 1.277 154 A HN 0.959 nan 8.150 nan 0.000 0.425 155 A N 0.171 123.091 122.820 0.168 0.000 2.566 155 A HA 1.006 5.327 4.320 0.001 0.000 0.292 155 A C -0.163 177.486 177.584 0.109 0.000 1.112 155 A CA -0.172 51.967 52.037 0.171 0.000 0.707 155 A CB 1.716 20.849 19.000 0.221 0.000 1.302 155 A HN 2.443 nan 8.150 nan 0.000 0.409 156 G N -1.084 107.742 108.800 0.042 0.000 2.601 156 G HA2 0.594 4.555 3.960 0.001 0.000 0.291 156 G HA3 0.594 4.555 3.960 0.001 0.000 0.291 156 G C -1.728 173.131 174.900 -0.069 0.000 1.456 156 G CA -0.328 44.781 45.100 0.015 0.000 0.804 156 G HN 1.172 nan 8.290 nan 0.000 0.499 157 V N -0.056 119.817 119.914 -0.069 0.000 2.532 157 V HA 0.774 4.894 4.120 0.001 0.000 0.295 157 V C -0.230 175.857 176.094 -0.011 0.000 1.041 157 V CA -0.823 61.414 62.300 -0.105 0.000 0.926 157 V CB 1.384 33.083 31.823 -0.206 0.000 0.992 157 V HN 0.848 nan 8.190 nan 0.000 0.457 158 V N 5.375 125.320 119.914 0.052 0.000 2.760 158 V HA 0.522 4.642 4.120 0.001 0.000 0.309 158 V C 0.029 176.218 176.094 0.157 0.000 1.077 158 V CA -0.849 61.510 62.300 0.099 0.000 0.910 158 V CB 2.049 33.920 31.823 0.079 0.000 1.008 158 V HN 0.924 nan 8.190 nan 0.000 0.424 159 R N 4.322 124.904 120.500 0.137 0.000 2.538 159 R HA 0.061 4.402 4.340 0.001 0.000 0.282 159 R C 0.828 177.154 176.300 0.045 0.000 1.009 159 R CA -0.016 56.099 56.100 0.026 0.000 1.063 159 R CB 0.285 30.597 30.300 0.020 0.000 0.945 159 R HN 0.754 nan 8.270 nan 0.000 0.414 160 N N 1.793 120.515 118.700 0.036 0.000 2.348 160 N HA -0.140 4.600 4.740 0.001 0.000 0.185 160 N C 0.261 175.804 175.510 0.054 0.000 1.019 160 N CA 1.245 54.328 53.050 0.056 0.000 0.880 160 N CB -0.134 38.389 38.487 0.060 0.000 0.965 160 N HN 0.626 nan 8.380 nan 0.000 0.437 164 V N 0.855 120.823 119.914 0.090 0.000 2.427 164 V HA 0.339 4.460 4.120 0.001 0.000 0.286 164 V C -0.306 175.845 176.094 0.095 0.000 1.034 164 V CA -0.372 61.992 62.300 0.106 0.000 0.893 164 V CB 1.720 33.655 31.823 0.187 0.000 0.982 164 V HN 0.603 nan 8.190 nan 0.000 0.452 165 D N 2.608 123.056 120.400 0.080 0.000 2.372 165 D HA 0.163 4.803 4.640 0.001 0.000 0.243 165 D C 0.810 177.153 176.300 0.072 0.000 1.121 165 D CA 0.138 54.177 54.000 0.065 0.000 0.898 165 D CB 1.508 42.340 40.800 0.054 0.000 1.202 165 D HN 0.659 nan 8.370 nan 0.000 0.428 166 S N 1.291 117.022 115.700 0.051 0.000 2.526 166 S HA 0.213 4.683 4.470 0.001 0.000 0.247 166 S C 0.123 174.744 174.600 0.034 0.000 1.076 166 S CA -0.608 57.618 58.200 0.042 0.000 1.105 166 S CB -0.376 62.837 63.200 0.021 0.000 0.793 166 S HN 0.473 nan 8.310 nan 0.000 0.458 167 K N -0.787 119.639 120.400 0.043 0.000 2.536 167 K HA 0.823 5.143 4.320 0.001 0.000 0.269 167 K C -0.685 175.944 176.600 0.049 0.000 0.965 167 K CA -1.097 55.213 56.287 0.039 0.000 0.860 167 K CB 1.306 33.823 32.500 0.028 0.000 1.423 167 K HN 0.026 nan 8.250 nan 0.000 0.438 168 A N 0.672 123.522 122.820 0.050 0.000 2.313 168 A HA 0.418 4.738 4.320 0.001 0.000 0.261 168 A C 0.232 177.841 177.584 0.041 0.000 1.090 168 A CA -0.266 51.801 52.037 0.051 0.000 0.807 168 A CB 0.735 19.768 19.000 0.056 0.000 1.055 168 A HN 0.740 nan 8.150 nan 0.000 0.492 169 S N -1.050 114.673 115.700 0.039 0.000 2.653 169 S HA 0.217 4.687 4.470 0.001 0.000 0.259 169 S C 0.115 174.733 174.600 0.029 0.000 1.076 169 S CA 0.202 58.421 58.200 0.032 0.000 1.051 169 S CB 0.211 63.430 63.200 0.031 0.000 0.994 169 S HN 0.891 nan 8.310 nan 0.000 0.552 170 R N 0.604 121.123 120.500 0.031 0.000 2.604 170 R HA 0.457 4.797 4.340 0.001 0.000 0.261 170 R C -3.656 172.662 176.300 0.030 0.000 1.080 170 R CA -1.646 54.470 56.100 0.027 0.000 0.917 170 R CB 0.129 30.443 30.300 0.024 0.000 1.252 170 R HN -0.182 nan 8.270 nan 0.000 0.456 171 P HA 0.064 nan 4.420 nan 0.000 0.265 171 P C 0.682 177.998 177.300 0.027 0.000 1.187 171 P CA 1.590 64.707 63.100 0.029 0.000 0.766 171 P CB 0.798 32.513 31.700 0.025 0.000 0.820 172 G N 0.997 109.815 108.800 0.030 0.000 2.234 172 G HA2 -0.234 3.727 3.960 0.001 0.000 0.235 172 G HA3 -0.234 3.727 3.960 0.001 0.000 0.235 172 G C 0.282 175.199 174.900 0.029 0.000 0.997 172 G CA -0.319 44.797 45.100 0.027 0.000 0.623 172 G HN 0.571 nan 8.290 nan 0.000 0.514 173 Q N 0.286 120.105 119.800 0.033 0.000 2.524 173 Q HA 0.453 4.794 4.340 0.001 0.000 0.246 173 Q C 0.739 176.765 176.000 0.044 0.000 1.063 173 Q CA 0.674 56.499 55.803 0.037 0.000 0.945 173 Q CB 1.396 30.159 28.738 0.042 0.000 1.292 173 Q HN 0.987 nan 8.270 nan 0.000 0.518 174 V N -1.445 118.498 119.914 0.048 0.000 3.046 174 V HA 0.691 4.812 4.120 0.001 0.000 0.316 174 V C -0.593 175.543 176.094 0.070 0.000 1.104 174 V CA -1.016 61.319 62.300 0.057 0.000 1.006 174 V CB 1.673 33.525 31.823 0.048 0.000 1.058 174 V HN 0.627 nan 8.190 nan 0.000 0.440 175 I N 1.780 122.399 120.570 0.082 0.000 2.389 175 I HA 0.480 4.650 4.170 0.001 0.000 0.288 175 I C -0.564 175.620 176.117 0.111 0.000 0.999 175 I CA -0.847 60.513 61.300 0.100 0.000 1.129 175 I CB 1.947 40.007 38.000 0.100 0.000 1.288 175 I HN 0.418 nan 8.210 nan 0.000 0.444 176 V N 6.860 126.855 119.914 0.135 0.000 2.465 176 V HA 0.334 4.455 4.120 0.001 0.000 0.279 176 V C 0.203 176.426 176.094 0.216 0.000 1.045 176 V CA -0.483 61.916 62.300 0.166 0.000 0.938 176 V CB 1.566 33.489 31.823 0.166 0.000 0.986 176 V HN 0.381 nan 8.190 nan 0.000 0.467 177 I N 6.648 127.337 120.570 0.198 0.000 2.321 177 I HA 0.516 4.687 4.170 0.001 0.000 0.291 177 I C -0.290 175.998 176.117 0.284 0.000 0.998 177 I CA -0.295 61.116 61.300 0.185 0.000 1.227 177 I CB 0.807 38.877 38.000 0.115 0.000 1.368 177 I HN 0.676 nan 8.210 nan 0.000 0.466 178 F N 4.000 124.010 119.950 0.101 0.000 2.645 178 F HA 0.931 5.458 4.527 0.001 0.000 0.310 178 F C 0.090 175.961 175.800 0.119 0.000 1.102 178 F CA -0.160 57.912 58.000 0.120 0.000 0.952 178 F CB 1.833 40.904 39.000 0.119 0.000 1.326 178 F HN 0.750 nan 8.300 nan 0.000 0.456 179 G N 0.807 109.691 108.800 0.139 0.000 2.253 179 G HA2 0.357 4.317 3.960 0.001 0.000 0.190 179 G HA3 0.357 4.317 3.960 0.001 0.000 0.190 179 G C -0.092 174.930 174.900 0.204 0.000 1.274 179 G CA -0.234 44.881 45.100 0.025 0.000 1.275 179 G HN 1.579 nan 8.290 nan 0.000 0.518 180 G N 0.614 109.487 108.800 0.122 0.000 2.544 180 G HA2 0.644 4.605 3.960 0.001 0.000 0.242 180 G HA3 0.644 4.605 3.960 0.001 0.000 0.242 180 G C 0.688 175.633 174.900 0.075 0.000 1.247 180 G CA 1.261 46.455 45.100 0.157 0.000 0.840 180 G HN 1.892 nan 8.290 nan 0.000 0.578 181 A N 1.029 123.801 122.820 -0.081 0.000 2.406 181 A HA 0.558 4.878 4.320 0.001 0.000 0.243 181 A C 0.808 178.308 177.584 -0.141 0.000 1.082 181 A CA 0.043 51.908 52.037 -0.286 0.000 0.786 181 A CB 0.250 18.836 19.000 -0.689 0.000 1.029 181 A HN 0.649 nan 8.150 nan 0.000 0.495 182 T N 1.318 115.796 114.554 -0.125 0.000 2.728 182 T HA 0.543 4.893 4.350 0.001 0.000 0.296 182 T C 0.684 175.331 174.700 -0.088 0.000 0.940 182 T CA 0.429 62.482 62.100 -0.078 0.000 1.013 182 T CB 1.048 69.885 68.868 -0.052 0.000 0.912 182 T HN 0.985 nan 8.240 nan 0.000 0.484 183 G N 1.942 110.698 108.800 -0.073 0.000 2.938 183 G HA2 0.504 4.465 3.960 0.001 0.000 0.258 183 G HA3 0.504 4.465 3.960 0.001 0.000 0.258 183 G C -0.604 174.249 174.900 -0.078 0.000 1.356 183 G CA -0.978 44.078 45.100 -0.072 0.000 1.052 183 G HN 0.555 nan 8.290 nan 0.000 0.550 184 R N 1.209 121.664 120.500 -0.076 0.000 2.593 184 R HA 0.249 4.590 4.340 0.001 0.000 0.282 184 R C -1.187 175.081 176.300 -0.054 0.000 1.300 184 R CA -0.105 55.943 56.100 -0.088 0.000 1.221 184 R CB 0.105 30.353 30.300 -0.087 0.000 1.157 184 R HN 0.318 nan 8.270 nan 0.000 0.555 185 D N 1.767 122.138 120.400 -0.049 0.000 2.629 185 D HA 0.355 4.995 4.640 0.001 0.000 0.250 185 D C 0.493 176.782 176.300 -0.019 0.000 1.126 185 D CA 0.163 54.149 54.000 -0.023 0.000 0.852 185 D CB 2.104 42.895 40.800 -0.014 0.000 1.335 185 D HN 0.602 nan 8.370 nan 0.000 0.518 204 K N 1.878 122.289 120.400 0.019 0.000 2.442 204 K HA 0.259 4.579 4.320 0.001 0.000 0.198 204 K C 1.741 178.352 176.600 0.019 0.000 1.044 204 K CA 0.592 56.892 56.287 0.022 0.000 0.948 204 K CB -0.306 32.209 32.500 0.024 0.000 0.762 204 K HN 0.378 nan 8.250 nan 0.000 0.472 205 L N 0.170 121.403 121.223 0.016 0.000 2.275 205 L HA -0.131 4.210 4.340 0.001 0.000 0.215 205 L C 1.866 178.740 176.870 0.008 0.000 1.119 205 L CA 1.207 56.056 54.840 0.015 0.000 0.790 205 L CB -0.371 41.700 42.059 0.021 0.000 0.919 205 L HN 0.236 nan 8.230 nan 0.000 0.443 206 S N -0.692 115.008 115.700 0.001 0.000 2.558 206 S HA 0.173 4.644 4.470 0.001 0.000 0.217 206 S C 0.736 175.329 174.600 -0.011 0.000 0.975 206 S CA 0.110 58.301 58.200 -0.016 0.000 0.912 206 S CB -0.734 62.445 63.200 -0.034 0.000 0.776 206 S HN 0.121 nan 8.310 nan 0.000 0.526 207 I N 1.261 121.837 120.570 0.010 0.000 2.342 207 I HA 0.768 4.938 4.170 0.001 0.000 0.291 207 I C 0.037 176.175 176.117 0.034 0.000 1.010 207 I CA -0.956 60.360 61.300 0.027 0.000 1.308 207 I CB 0.537 nan 38.000 nan 0.000 1.400 207 I HN 0.337 nan 8.210 nan 0.000 0.488 208 Q N 3.106 122.934 119.800 0.047 0.000 2.301 208 Q HA 0.760 5.101 4.340 0.001 0.000 0.267 208 Q C -0.826 175.209 176.000 0.059 0.000 1.035 208 Q CA -0.577 55.254 55.803 0.047 0.000 0.856 208 Q CB 2.512 31.275 28.738 0.042 0.000 1.337 208 Q HN 0.724 nan 8.270 nan 0.000 0.450 209 V N 1.911 121.863 119.914 0.063 0.000 2.318 209 V HA 0.526 4.646 4.120 0.001 0.000 0.271 209 V C 0.411 176.559 176.094 0.091 0.000 1.030 209 V CA -0.667 61.684 62.300 0.084 0.000 0.844 209 V CB 0.800 32.679 31.823 0.093 0.000 1.015 209 V HN 0.818 nan 8.190 nan 0.000 0.460 210 G N 3.602 112.460 108.800 0.097 0.000 2.467 210 G HA2 0.463 4.424 3.960 0.001 0.000 0.257 210 G HA3 0.463 4.424 3.960 0.001 0.000 0.257 210 G C -0.479 174.545 174.900 0.206 0.000 1.227 210 G CA -0.251 44.937 45.100 0.146 0.000 0.835 210 G HN 0.805 nan 8.290 nan 0.000 0.556 211 D N 2.359 122.872 120.400 0.188 0.000 2.620 211 D HA 0.226 4.867 4.640 0.001 0.000 0.252 211 D C -2.178 174.083 176.300 -0.065 0.000 1.207 211 D CA -1.747 52.316 54.000 0.106 0.000 0.884 211 D CB 2.985 43.883 40.800 0.163 0.000 1.262 211 D HN 0.152 nan 8.370 nan 0.000 0.552 212 P HA -0.079 nan 4.420 nan 0.000 0.221 212 P C 1.265 178.241 177.300 -0.541 0.000 1.150 212 P CA 0.561 63.121 63.100 -0.899 0.000 0.800 212 P CB 0.013 30.855 31.700 -1.430 0.000 0.787 213 F N 1.149 121.021 119.950 -0.129 0.000 2.163 213 F HA 0.003 4.531 4.527 0.001 0.000 0.297 213 F C 2.762 178.557 175.800 -0.009 0.000 1.094 213 F CA 1.180 59.148 58.000 -0.054 0.000 1.290 213 F CB -1.719 37.267 39.000 -0.025 0.000 1.017 213 F HN -0.078 nan 8.300 nan 0.000 0.483 214 A N -0.024 122.905 122.820 0.180 0.000 1.877 214 A HA -0.262 4.059 4.320 0.001 0.000 0.216 214 A C 2.141 179.773 177.584 0.081 0.000 1.186 214 A CA 1.992 54.110 52.037 0.136 0.000 0.620 214 A CB -0.987 18.095 19.000 0.137 0.000 0.822 214 A HN 0.433 nan 8.150 nan 0.000 0.443 215 E N 0.170 120.389 120.200 0.033 0.000 2.110 215 E HA -0.139 4.212 4.350 0.001 0.000 0.193 215 E C 1.263 177.870 176.600 0.011 0.000 0.988 215 E CA 0.936 57.349 56.400 0.020 0.000 0.804 215 E CB -0.123 29.609 29.700 0.054 0.000 0.745 215 E HN 0.571 nan 8.360 nan 0.000 0.458 219 I N 0.837 121.449 120.570 0.069 0.000 2.142 219 I HA -0.201 3.969 4.170 0.001 0.000 0.240 219 I C 2.091 178.254 176.117 0.077 0.000 1.078 219 I CA 1.482 62.834 61.300 0.087 0.000 1.343 219 I CB -0.211 37.820 38.000 0.052 0.000 1.046 219 I HN 0.324 nan 8.210 nan 0.000 0.405 220 E N 0.940 121.125 120.200 -0.026 0.000 2.077 220 E HA -0.200 4.151 4.350 0.001 0.000 0.193 220 E C 2.313 178.726 176.600 -0.311 0.000 0.989 220 E CA 1.548 57.870 56.400 -0.131 0.000 0.800 220 E CB -0.387 29.238 29.700 -0.126 0.000 0.746 220 E HN 0.512 nan 8.360 nan 0.000 0.452 221 A N 0.570 123.108 122.820 -0.469 0.000 1.898 221 A HA -0.155 4.165 4.320 0.001 0.000 0.216 221 A C 2.118 179.699 177.584 -0.006 0.000 1.181 221 A CA 1.174 52.995 52.037 -0.360 0.000 0.620 221 A CB -0.776 18.151 19.000 -0.122 0.000 0.819 221 A HN 0.257 nan 8.150 nan 0.000 0.442 222 F N 0.546 120.547 119.950 0.086 0.000 2.102 222 F HA -0.104 4.424 4.527 0.001 0.000 0.298 222 F C 1.960 177.791 175.800 0.052 0.000 1.105 222 F CA 1.630 59.722 58.000 0.154 0.000 1.239 222 F CB -0.292 38.840 39.000 0.221 0.000 0.991 222 F HN 0.126 nan 8.300 nan 0.000 0.474 223 L N -0.054 121.236 121.223 0.112 0.000 2.083 223 L HA -0.174 4.166 4.340 0.001 0.000 0.209 223 L C 1.501 178.332 176.870 -0.066 0.000 1.083 223 L CA 1.072 55.913 54.840 0.003 0.000 0.752 223 L CB -0.833 41.267 42.059 0.068 0.000 0.899 223 L HN 0.206 nan 8.230 nan 0.000 0.433 227 E N 0.585 120.727 120.200 -0.097 0.000 2.153 227 E HA -0.286 4.064 4.350 0.001 0.000 0.194 227 E C 1.715 178.290 176.600 -0.041 0.000 0.988 227 E CA 2.007 58.380 56.400 -0.046 0.000 0.811 227 E CB -0.348 29.337 29.700 -0.025 0.000 0.746 227 E HN 0.786 nan 8.360 nan 0.000 0.466 228 E N -1.403 118.763 120.200 -0.056 0.000 2.427 228 E HA 0.170 4.520 4.350 0.001 0.000 0.196 228 E C 1.187 177.761 176.600 -0.044 0.000 1.028 228 E CA 0.619 56.992 56.400 -0.044 0.000 0.864 228 E CB -0.053 29.619 29.700 -0.047 0.000 0.813 228 E HN 0.601 nan 8.360 nan 0.000 0.514 229 G N 0.379 109.145 108.800 -0.056 0.000 2.140 229 G HA2 -0.223 3.738 3.960 0.001 0.000 0.211 229 G HA3 -0.223 3.738 3.960 0.001 0.000 0.211 229 G C 0.518 175.389 174.900 -0.049 0.000 1.013 229 G CA 0.370 45.443 45.100 -0.045 0.000 0.705 229 G HN 0.271 nan 8.290 nan 0.000 0.508 230 L N -0.686 120.493 121.223 -0.073 0.000 2.408 230 L HA 0.239 4.580 4.340 0.001 0.000 0.215 230 L C 1.188 178.022 176.870 -0.060 0.000 1.081 230 L CA 0.220 55.021 54.840 -0.066 0.000 0.840 230 L CB 0.253 42.261 42.059 -0.084 0.000 1.002 230 L HN 0.131 nan 8.230 nan 0.000 0.468 231 V N 1.144 121.001 119.914 -0.095 0.000 2.389 231 V HA 0.065 4.185 4.120 0.001 0.000 0.264 231 V C 0.814 176.901 176.094 -0.010 0.000 1.049 231 V CA 0.051 62.312 62.300 -0.065 0.000 0.932 231 V CB 0.872 32.579 31.823 -0.193 0.000 1.011 231 V HN 0.299 nan 8.190 nan 0.000 0.475 232 E N 3.291 123.506 120.200 0.026 0.000 2.415 232 E HA 0.333 4.684 4.350 0.001 0.000 0.197 232 E C 0.937 177.573 176.600 0.059 0.000 1.007 232 E CA 0.475 56.896 56.400 0.036 0.000 0.890 232 E CB 0.906 30.625 29.700 0.032 0.000 0.891 232 E HN 0.819 nan 8.360 nan 0.000 0.496 233 G N 0.201 109.053 108.800 0.088 0.000 2.646 233 G HA2 0.658 4.619 3.960 0.001 0.000 0.291 233 G HA3 0.658 4.619 3.960 0.001 0.000 0.291 233 G C -1.847 173.152 174.900 0.165 0.000 1.445 233 G CA -0.136 45.029 45.100 0.108 0.000 0.814 233 G HN 0.131 nan 8.290 nan 0.000 0.495 234 A N -0.228 122.693 122.820 0.168 0.000 2.605 234 A HA 0.886 5.206 4.320 0.001 0.000 0.294 234 A C -1.144 176.493 177.584 0.089 0.000 1.062 234 A CA -0.444 51.708 52.037 0.192 0.000 0.682 234 A CB 2.107 21.327 19.000 0.366 0.000 1.278 234 A HN 1.030 nan 8.150 nan 0.000 0.410 235 Q N 1.208 121.033 119.800 0.042 0.000 2.281 235 Q HA 0.361 4.701 4.340 0.001 0.000 0.263 235 Q C -1.491 174.475 176.000 -0.057 0.000 0.989 235 Q CA -0.684 55.113 55.803 -0.010 0.000 0.852 235 Q CB 1.552 30.296 28.738 0.010 0.000 1.337 235 Q HN 0.921 nan 8.270 nan 0.000 0.418 236 D N 3.191 123.532 120.400 -0.098 0.000 2.423 236 D HA 0.056 4.696 4.640 0.001 0.000 0.238 236 D C -0.398 175.864 176.300 -0.064 0.000 1.142 236 D CA -0.022 53.908 54.000 -0.117 0.000 0.884 236 D CB 0.883 41.613 40.800 -0.117 0.000 1.199 236 D HN 0.257 nan 8.370 nan 0.000 0.438 237 L N 1.571 122.753 121.223 -0.068 0.000 2.305 237 L HA 0.516 4.856 4.340 0.001 0.000 0.281 237 L C 1.190 178.051 176.870 -0.015 0.000 1.085 237 L CA 0.380 55.202 54.840 -0.030 0.000 0.813 237 L CB 1.425 43.467 42.059 -0.028 0.000 1.157 237 L HN 0.759 nan 8.230 nan 0.000 0.436 238 G N 1.238 110.049 108.800 0.018 0.000 3.366 238 G HA2 0.613 4.573 3.960 0.001 0.000 0.179 238 G HA3 0.613 4.573 3.960 0.001 0.000 0.179 238 G C -0.766 174.173 174.900 0.064 0.000 1.143 238 G CA 0.019 45.148 45.100 0.049 0.000 0.810 238 G HN 0.748 nan 8.290 nan 0.000 0.697 239 A N -0.600 122.287 122.820 0.111 0.000 2.520 239 A HA 0.493 4.814 4.320 0.001 0.000 0.245 239 A C 1.534 179.166 177.584 0.081 0.000 1.072 239 A CA 1.530 53.624 52.037 0.095 0.000 0.761 239 A CB -0.553 18.557 19.000 0.184 0.000 1.004 239 A HN 2.558 nan 8.150 nan 0.000 0.499 240 G N 1.381 110.211 108.800 0.049 0.000 2.241 240 G HA2 0.114 4.075 3.960 0.001 0.000 0.244 240 G HA3 0.114 4.075 3.960 0.001 0.000 0.244 240 G C 1.809 176.728 174.900 0.031 0.000 0.998 240 G CA 0.819 45.942 45.100 0.038 0.000 0.621 240 G HN 2.961 nan 8.290 nan 0.000 0.519 241 G N -0.866 107.952 108.800 0.029 0.000 2.574 241 G HA2 -0.173 3.788 3.960 0.001 0.000 0.286 241 G HA3 -0.173 3.788 3.960 0.001 0.000 0.286 241 G C 1.291 176.211 174.900 0.033 0.000 1.212 241 G CA 2.048 47.162 45.100 0.023 0.000 0.979 241 G HN 1.371 nan 8.290 nan 0.000 0.557 242 V N 0.549 120.488 119.914 0.042 0.000 2.278 242 V HA -0.232 3.889 4.120 0.001 0.000 0.251 242 V C 2.942 179.094 176.094 0.095 0.000 1.062 242 V CA 3.150 65.491 62.300 0.068 0.000 1.038 242 V CB -0.902 30.965 31.823 0.075 0.000 0.646 242 V HN 0.867 nan 8.190 nan 0.000 0.447 243 L N 0.043 121.320 121.223 0.090 0.000 1.989 243 L HA -0.171 4.170 4.340 0.001 0.000 0.211 243 L C 2.589 179.442 176.870 -0.029 0.000 1.071 243 L CA 2.672 57.556 54.840 0.073 0.000 0.749 243 L CB -0.960 41.110 42.059 0.018 0.000 0.890 243 L HN 0.314 nan 8.230 nan 0.000 0.431 244 S N -0.756 114.933 115.700 -0.018 0.000 2.353 244 S HA -0.202 4.268 4.470 0.001 0.000 0.222 244 S C 2.133 176.727 174.600 -0.009 0.000 1.035 244 S CA 1.502 59.687 58.200 -0.025 0.000 1.025 244 S CB -0.674 62.535 63.200 0.014 0.000 0.902 244 S HN 0.727 nan 8.310 nan 0.000 0.440 245 A N 0.693 123.526 122.820 0.021 0.000 1.877 245 A HA -0.098 4.222 4.320 0.001 0.000 0.216 245 A C 2.498 180.114 177.584 0.054 0.000 1.186 245 A CA 2.561 54.616 52.037 0.031 0.000 0.620 245 A CB -1.636 17.383 19.000 0.033 0.000 0.822 245 A HN 0.781 nan 8.150 nan 0.000 0.443 246 T N -1.714 112.898 114.554 0.096 0.000 2.812 246 T HA -0.135 4.216 4.350 0.001 0.000 0.264 246 T C 2.118 176.925 174.700 0.179 0.000 1.042 246 T CA 1.875 64.072 62.100 0.162 0.000 1.140 246 T CB -0.877 68.131 68.868 0.234 0.000 0.870 246 T HN 0.683 nan 8.240 nan 0.000 0.445 247 S N 1.905 117.638 115.700 0.055 0.000 2.382 247 S HA -0.121 4.350 4.470 0.001 0.000 0.228 247 S C 2.018 176.580 174.600 -0.063 0.000 1.027 247 S CA 1.107 59.206 58.200 -0.169 0.000 0.991 247 S CB -0.588 62.218 63.200 -0.657 0.000 0.823 247 S HN 0.682 nan 8.310 nan 0.000 0.469 248 E N 1.190 121.364 120.200 -0.043 0.000 2.107 248 E HA 0.070 4.420 4.350 0.001 0.000 0.191 248 E C 2.121 178.725 176.600 0.006 0.000 0.982 248 E CA 0.896 57.282 56.400 -0.024 0.000 0.809 248 E CB -0.345 29.339 29.700 -0.026 0.000 0.756 248 E HN 0.455 nan 8.360 nan 0.000 0.459 249 L N 0.825 122.065 121.223 0.029 0.000 2.013 249 L HA -0.209 4.131 4.340 0.001 0.000 0.212 249 L C 2.678 179.577 176.870 0.048 0.000 1.073 249 L CA 1.400 56.267 54.840 0.044 0.000 0.753 249 L CB -0.577 41.520 42.059 0.064 0.000 0.890 249 L HN 0.196 nan 8.230 nan 0.000 0.432 250 V N -3.882 116.069 119.914 0.063 0.000 2.788 250 V HA 0.059 4.179 4.120 0.001 0.000 0.251 250 V C 2.409 178.532 176.094 0.048 0.000 1.068 250 V CA 1.132 63.472 62.300 0.066 0.000 1.090 250 V CB -0.625 31.256 31.823 0.098 0.000 0.710 250 V HN 0.272 nan 8.190 nan 0.000 0.467 251 A N 0.623 123.463 122.820 0.033 0.000 1.930 251 A HA -0.110 4.210 4.320 0.001 0.000 0.217 251 A C 2.292 179.882 177.584 0.010 0.000 1.175 251 A CA 1.910 53.958 52.037 0.017 0.000 0.627 251 A CB -0.542 18.454 19.000 -0.006 0.000 0.815 251 A HN 0.575 nan 8.150 nan 0.000 0.443 252 K N -0.934 119.470 120.400 0.007 0.000 2.283 252 K HA -0.053 4.267 4.320 0.001 0.000 0.202 252 K C 1.504 178.109 176.600 0.009 0.000 1.048 252 K CA 0.852 57.139 56.287 0.001 0.000 0.948 252 K CB -0.145 32.354 32.500 -0.003 0.000 0.742 252 K HN 0.459 nan 8.250 nan 0.000 0.458 253 G N 0.298 109.109 108.800 0.019 0.000 3.337 253 G HA2 -0.044 3.916 3.960 0.001 0.000 0.246 253 G HA3 -0.044 3.916 3.960 0.001 0.000 0.246 253 G C -0.345 174.569 174.900 0.023 0.000 1.131 253 G CA -0.423 44.691 45.100 0.022 0.000 0.773 253 G HN 0.210 nan 8.290 nan 0.000 0.544 254 N N -0.491 118.223 118.700 0.022 0.000 2.738 254 N HA -0.134 4.606 4.740 0.001 0.000 0.249 254 N C -0.164 175.365 175.510 0.032 0.000 1.047 254 N CA 0.863 53.928 53.050 0.024 0.000 0.707 254 N CB -1.275 37.222 38.487 0.018 0.000 0.937 254 N HN 0.375 nan 8.380 nan 0.000 0.545 255 L N -1.371 119.876 121.223 0.040 0.000 2.183 255 L HA 0.860 5.201 4.340 0.001 0.000 0.253 255 L C 1.221 178.129 176.870 0.063 0.000 1.048 255 L CA -0.852 54.016 54.840 0.047 0.000 0.890 255 L CB 1.632 43.719 42.059 0.046 0.000 1.476 255 L HN 0.114 nan 8.230 nan 0.000 0.455 256 G N -0.868 107.971 108.800 0.065 0.000 2.735 256 G HA2 0.816 4.777 3.960 0.001 0.000 0.301 256 G HA3 0.816 4.777 3.960 0.001 0.000 0.301 256 G C -1.810 173.137 174.900 0.078 0.000 1.279 256 G CA -0.342 44.809 45.100 0.084 0.000 1.019 256 G HN 0.744 nan 8.290 nan 0.000 0.497 257 A N -0.663 122.197 122.820 0.066 0.000 2.515 257 A HA 0.749 5.069 4.320 0.001 0.000 0.298 257 A C -1.153 176.338 177.584 -0.156 0.000 1.059 257 A CA -0.556 51.473 52.037 -0.013 0.000 0.698 257 A CB 1.296 20.320 19.000 0.040 0.000 1.289 257 A HN 0.615 nan 8.150 nan 0.000 0.404 258 I N 1.849 122.322 120.570 -0.160 0.000 2.362 258 I HA 0.422 4.593 4.170 0.001 0.000 0.289 258 I C -0.767 175.116 176.117 -0.389 0.000 0.994 258 I CA -0.842 60.283 61.300 -0.291 0.000 1.158 258 I CB 1.876 39.750 38.000 -0.209 0.000 1.315 258 I HN 0.300 nan 8.210 nan 0.000 0.451 259 V N 5.602 125.222 119.914 -0.491 0.000 2.370 259 V HA 0.287 4.407 4.120 0.001 0.000 0.283 259 V C -0.103 175.745 176.094 -0.410 0.000 1.023 259 V CA -0.643 61.445 62.300 -0.354 0.000 0.857 259 V CB 0.973 32.619 31.823 -0.296 0.000 0.985 259 V HN 0.581 nan 8.190 nan 0.000 0.443 260 H N 6.131 125.163 119.070 -0.064 0.000 2.746 260 H HA 0.331 4.887 4.556 0.001 0.000 0.269 260 H C 0.760 176.039 175.328 -0.080 0.000 1.248 260 H CA -0.324 55.678 56.048 -0.076 0.000 1.258 260 H CB 1.373 31.089 29.762 -0.077 0.000 1.441 260 H HN 0.556 nan 8.280 nan 0.000 0.508 261 L N 1.495 122.717 121.223 -0.001 0.000 2.141 261 L HA -0.165 4.175 4.340 0.001 0.000 0.209 261 L C 2.001 178.833 176.870 -0.063 0.000 1.094 261 L CA 0.954 55.814 54.840 0.033 0.000 0.763 261 L CB -0.127 42.031 42.059 0.164 0.000 0.908 261 L HN 0.574 nan 8.230 nan 0.000 0.437 262 D N -0.290 119.878 120.400 -0.385 0.000 2.411 262 D HA -0.205 4.436 4.640 0.001 0.000 0.226 262 D C 1.689 177.874 176.300 -0.190 0.000 0.988 262 D CA 0.682 54.350 54.000 -0.555 0.000 0.938 262 D CB -0.106 40.202 40.800 -0.820 0.000 0.883 262 D HN 0.316 nan 8.370 nan 0.000 0.525 263 R N 0.170 120.624 120.500 -0.078 0.000 2.335 263 R HA 0.169 4.510 4.340 0.001 0.000 0.210 263 R C 0.286 176.601 176.300 0.025 0.000 0.892 263 R CA -0.118 55.972 56.100 -0.017 0.000 1.048 263 R CB 0.703 31.006 30.300 0.005 0.000 1.067 263 R HN 0.077 nan 8.270 nan 0.000 0.524 264 V N 4.790 124.722 119.914 0.030 0.000 2.529 264 V HA 0.062 4.182 4.120 0.001 0.000 0.292 264 V C -2.097 174.018 176.094 0.034 0.000 1.028 264 V CA -1.013 61.314 62.300 0.045 0.000 1.074 264 V CB 0.504 32.352 31.823 0.042 0.000 0.958 264 V HN 0.003 nan 8.190 nan 0.000 0.481 265 P HA 0.270 nan 4.420 nan 0.000 0.271 265 P C -0.604 176.643 177.300 -0.089 0.000 1.226 265 P CA 0.101 63.210 63.100 0.015 0.000 0.765 265 P CB 0.424 32.190 31.700 0.109 0.000 0.835 266 L N 3.290 124.446 121.223 -0.112 0.000 2.330 266 L HA 0.506 4.847 4.340 0.001 0.000 0.271 266 L C 1.669 178.419 176.870 -0.201 0.000 1.013 266 L CA -0.724 54.040 54.840 -0.126 0.000 0.816 266 L CB 2.384 44.411 42.059 -0.053 0.000 1.287 266 L HN 0.381 nan 8.230 nan 0.000 0.435 267 R N 0.514 120.909 120.500 -0.176 0.000 2.195 267 R HA 0.177 4.517 4.340 0.001 0.000 0.197 267 R C -0.310 175.932 176.300 -0.097 0.000 0.990 267 R CA 0.340 56.337 56.100 -0.172 0.000 1.048 267 R CB 0.698 30.904 30.300 -0.156 0.000 0.997 267 R HN 0.675 nan 8.270 nan 0.000 0.502 268 E N 1.475 121.628 120.200 -0.079 0.000 2.182 268 E HA 0.194 4.545 4.350 0.001 0.000 0.258 268 E C -2.001 174.571 176.600 -0.047 0.000 0.879 268 E CA -1.925 54.442 56.400 -0.056 0.000 0.754 268 E CB 2.103 31.770 29.700 -0.056 0.000 1.162 268 E HN 0.141 nan 8.360 nan 0.000 0.419 269 P HA -0.137 nan 4.420 nan 0.000 0.219 269 P C 0.016 177.309 177.300 -0.012 0.000 1.150 269 P CA 1.086 64.179 63.100 -0.012 0.000 0.814 269 P CB 0.167 31.866 31.700 -0.001 0.000 0.787 273 P HA -0.215 nan 4.420 nan 0.000 0.216 273 P C 1.289 178.657 177.300 0.113 0.000 1.157 273 P CA 1.619 64.747 63.100 0.048 0.000 0.880 273 P CB -0.162 31.596 31.700 0.097 0.000 0.791 274 W N 0.900 122.254 121.300 0.091 0.000 2.342 274 W HA -0.131 4.529 4.660 0.000 0.000 0.297 274 W C 1.210 177.783 176.519 0.091 0.000 1.213 274 W CA 1.164 58.581 57.345 0.120 0.000 1.251 274 W CB -1.481 28.110 29.460 0.218 0.000 1.136 274 W HN 0.100 nan 8.180 nan 0.000 0.526 275 E N 0.905 120.615 120.200 -0.816 0.000 2.150 275 E HA -0.139 4.211 4.350 0.001 0.000 0.193 275 E C 2.271 178.689 176.600 -0.304 0.000 0.985 275 E CA 1.596 57.520 56.400 -0.793 0.000 0.814 275 E CB -0.280 28.896 29.700 -0.874 0.000 0.752 275 E HN 0.320 nan 8.360 nan 0.000 0.466 276 I N 0.676 121.147 120.570 -0.165 0.000 2.315 276 I HA -0.221 3.949 4.170 0.001 0.000 0.248 276 I C 2.357 178.476 176.117 0.003 0.000 1.117 276 I CA 0.421 61.693 61.300 -0.046 0.000 1.404 276 I CB -0.055 37.967 38.000 0.036 0.000 1.071 276 I HN 0.120 nan 8.210 nan 0.000 0.419 277 L N 0.228 121.476 121.223 0.043 0.000 2.141 277 L HA -0.094 4.247 4.340 0.001 0.000 0.209 277 L C 1.876 178.788 176.870 0.069 0.000 1.094 277 L CA 2.009 56.903 54.840 0.089 0.000 0.763 277 L CB -0.087 42.061 42.059 0.148 0.000 0.908 277 L HN 0.130 nan 8.230 nan 0.000 0.437 278 I N -1.929 118.667 120.570 0.044 0.000 4.227 278 I HA 0.163 4.333 4.170 0.001 0.000 0.334 278 I C 0.945 177.065 176.117 0.006 0.000 1.341 278 I CA 0.090 61.419 61.300 0.048 0.000 1.123 278 I CB 0.325 38.399 38.000 0.123 0.000 1.097 278 I HN 0.084 nan 8.210 nan 0.000 0.399 279 S N 1.394 117.072 115.700 -0.036 0.000 2.573 279 S HA -0.053 4.417 4.470 0.001 0.000 0.297 279 S C 0.803 175.393 174.600 -0.017 0.000 1.280 279 S CA 0.418 58.590 58.200 -0.046 0.000 1.061 279 S CB 0.147 63.310 63.200 -0.063 0.000 0.812 279 S HN 0.365 nan 8.310 nan 0.000 0.500 280 E N 3.056 123.248 120.200 -0.013 0.000 2.651 280 E HA 0.157 4.508 4.350 0.001 0.000 0.213 280 E C -0.224 176.376 176.600 -0.001 0.000 1.028 280 E CA -0.271 56.128 56.400 -0.001 0.000 1.183 280 E CB 0.548 30.251 29.700 0.005 0.000 1.188 280 E HN 0.510 nan 8.360 nan 0.000 0.444 281 S N 2.143 117.836 115.700 -0.011 0.000 2.558 281 S HA -0.022 4.448 4.470 0.001 0.000 0.291 281 S C 0.525 175.123 174.600 -0.004 0.000 1.306 281 S CA 0.082 58.277 58.200 -0.009 0.000 1.056 281 S CB 0.546 63.732 63.200 -0.022 0.000 0.836 281 S HN 0.236 nan 8.310 nan 0.000 0.504 282 Q N 1.526 121.330 119.800 0.007 0.000 2.249 282 Q HA 0.258 4.598 4.340 0.001 0.000 0.226 282 Q C 0.155 176.155 176.000 0.001 0.000 0.983 282 Q CA -0.290 55.516 55.803 0.006 0.000 0.930 282 Q CB 0.271 29.023 28.738 0.024 0.000 1.193 282 Q HN 0.711 nan 8.270 nan 0.000 0.508 283 E N -0.586 119.606 120.200 -0.014 0.000 2.416 283 E HA -0.226 4.125 4.350 0.001 0.000 0.249 283 E C -0.789 175.753 176.600 -0.096 0.000 1.124 283 E CA 0.681 57.061 56.400 -0.033 0.000 0.732 283 E CB -0.889 28.824 29.700 0.021 0.000 1.286 283 E HN 0.356 nan 8.360 nan 0.000 0.394 287 V N 2.845 122.910 119.914 0.252 0.000 2.444 287 V HA 0.515 4.635 4.120 0.001 0.000 0.294 287 V C -0.050 176.149 176.094 0.175 0.000 1.022 287 V CA -0.651 61.815 62.300 0.276 0.000 0.850 287 V CB 1.739 33.775 31.823 0.355 0.000 0.992 287 V HN 0.829 nan 8.190 nan 0.000 0.426 288 V N 4.238 124.238 119.914 0.143 0.000 2.465 288 V HA 0.693 4.813 4.120 0.001 0.000 0.279 288 V C 0.344 176.485 176.094 0.079 0.000 1.045 288 V CA 0.150 62.511 62.300 0.101 0.000 0.938 288 V CB 1.323 33.199 31.823 0.088 0.000 0.986 288 V HN 0.987 nan 8.190 nan 0.000 0.467 289 T N 2.642 117.233 114.554 0.062 0.000 2.754 289 T HA 0.436 4.786 4.350 0.001 0.000 0.296 289 T C -0.498 174.221 174.700 0.031 0.000 1.205 289 T CA -0.377 61.747 62.100 0.040 0.000 1.009 289 T CB 1.996 70.882 68.868 0.031 0.000 1.368 289 T HN 0.605 nan 8.240 nan 0.000 0.509 290 S N 2.873 118.584 115.700 0.019 0.000 2.562 290 S HA 0.347 4.818 4.470 0.001 0.000 0.275 290 S C -1.608 173.000 174.600 0.013 0.000 1.281 290 S CA -1.113 57.096 58.200 0.016 0.000 1.045 290 S CB 1.473 64.679 63.200 0.010 0.000 0.962 290 S HN 0.613 nan 8.310 nan 0.000 0.503 291 P HA -0.167 nan 4.420 nan 0.000 0.220 291 P C 0.485 177.786 177.300 0.002 0.000 1.144 291 P CA 1.198 64.303 63.100 0.009 0.000 0.800 291 P CB 0.092 31.797 31.700 0.008 0.000 0.772 292 Q N -0.210 119.590 119.800 -0.000 0.000 2.389 292 Q HA 0.017 4.358 4.340 0.001 0.000 0.204 292 Q C 1.742 177.738 176.000 -0.008 0.000 0.944 292 Q CA 0.979 56.779 55.803 -0.005 0.000 0.908 292 Q CB -0.472 28.263 28.738 -0.004 0.000 1.002 292 Q HN 0.320 nan 8.270 nan 0.000 0.493 293 K N 0.145 120.540 120.400 -0.008 0.000 2.393 293 K HA 0.262 4.582 4.320 0.001 0.000 0.193 293 K C 1.638 178.227 176.600 -0.020 0.000 1.026 293 K CA 0.485 56.763 56.287 -0.016 0.000 1.064 293 K CB 0.249 32.740 32.500 -0.016 0.000 0.833 293 K HN 0.189 nan 8.250 nan 0.000 0.521 294 A N 1.463 124.276 122.820 -0.011 0.000 1.929 294 A HA -0.142 4.178 4.320 0.001 0.000 0.216 294 A C 2.175 179.748 177.584 -0.019 0.000 1.176 294 A CA 1.859 53.890 52.037 -0.010 0.000 0.628 294 A CB -0.428 18.574 19.000 0.004 0.000 0.816 294 A HN 0.332 nan 8.150 nan 0.000 0.444 295 S N -1.047 114.641 115.700 -0.019 0.000 2.453 295 S HA -0.064 4.407 4.470 0.001 0.000 0.231 295 S C 2.025 176.607 174.600 -0.031 0.000 1.005 295 S CA 0.812 59.000 58.200 -0.021 0.000 0.949 295 S CB -0.305 62.885 63.200 -0.016 0.000 0.774 295 S HN 0.449 nan 8.310 nan 0.000 0.510 296 R N 1.101 121.579 120.500 -0.036 0.000 2.090 296 R HA 0.227 4.567 4.340 0.001 0.000 0.228 296 R C 2.133 178.392 176.300 -0.069 0.000 1.110 296 R CA 1.062 57.135 56.100 -0.045 0.000 0.973 296 R CB -0.772 29.504 30.300 -0.041 0.000 0.869 296 R HN 0.531 nan 8.270 nan 0.000 0.440 297 I N 1.062 121.582 120.570 -0.083 0.000 2.127 297 I HA -0.344 3.826 4.170 0.001 0.000 0.241 297 I C 2.217 178.233 176.117 -0.169 0.000 1.075 297 I CA 1.371 62.584 61.300 -0.144 0.000 1.334 297 I CB -0.274 37.652 38.000 -0.123 0.000 1.040 297 I HN 0.118 nan 8.210 nan 0.000 0.405 298 L N -0.099 121.065 121.223 -0.097 0.000 2.083 298 L HA -0.209 4.131 4.340 0.001 0.000 0.209 298 L C 2.516 179.351 176.870 -0.058 0.000 1.083 298 L CA 1.205 56.006 54.840 -0.065 0.000 0.752 298 L CB -0.782 41.267 42.059 -0.017 0.000 0.899 298 L HN 0.313 nan 8.230 nan 0.000 0.433 299 E N 0.906 121.073 120.200 -0.054 0.000 2.070 299 E HA -0.259 4.092 4.350 0.001 0.000 0.197 299 E C 2.273 178.846 176.600 -0.046 0.000 1.004 299 E CA 1.699 58.072 56.400 -0.046 0.000 0.805 299 E CB -0.077 29.598 29.700 -0.041 0.000 0.744 299 E HN 0.500 nan 8.360 nan 0.000 0.451 300 I N 0.464 121.002 120.570 -0.055 0.000 2.252 300 I HA -0.232 3.938 4.170 0.001 0.000 0.245 300 I C 2.589 178.733 176.117 0.046 0.000 1.102 300 I CA 0.884 62.184 61.300 -0.001 0.000 1.385 300 I CB -0.351 37.631 38.000 -0.030 0.000 1.064 300 I HN 0.109 nan 8.210 nan 0.000 0.414 301 A N 1.003 123.771 122.820 -0.088 0.000 1.877 301 A HA -0.214 4.107 4.320 0.001 0.000 0.216 301 A C 2.423 180.036 177.584 0.049 0.000 1.186 301 A CA 1.560 53.581 52.037 -0.027 0.000 0.620 301 A CB -0.609 18.331 19.000 -0.101 0.000 0.822 301 A HN 0.286 nan 8.150 nan 0.000 0.443 302 R N -0.551 119.941 120.500 -0.014 0.000 2.080 302 R HA -0.153 4.187 4.340 0.001 0.000 0.236 302 R C 2.416 178.682 176.300 -0.056 0.000 1.137 302 R CA 1.660 57.728 56.100 -0.053 0.000 0.943 302 R CB -0.322 29.943 30.300 -0.057 0.000 0.846 302 R HN 0.510 nan 8.270 nan 0.000 0.431 303 K N 0.177 120.541 120.400 -0.059 0.000 2.113 303 K HA -0.190 4.130 4.320 0.001 0.000 0.208 303 K C 1.248 177.737 176.600 -0.186 0.000 1.047 303 K CA 1.453 57.659 56.287 -0.134 0.000 0.928 303 K CB -0.075 32.317 32.500 -0.180 0.000 0.716 303 K HN 0.418 nan 8.250 nan 0.000 0.446 304 H N -0.074 118.989 119.070 -0.011 0.000 2.536 304 H HA 0.056 4.612 4.556 0.001 0.000 0.276 304 H C 0.115 175.452 175.328 0.015 0.000 1.019 304 H CA 0.381 56.441 56.048 0.021 0.000 1.159 304 H CB 0.313 30.113 29.762 0.063 0.000 1.373 304 H HN 0.100 nan 8.280 nan 0.000 0.584 305 L N -0.361 120.880 121.223 0.029 0.000 3.938 305 L HA -0.246 4.095 4.340 0.001 0.000 0.405 305 L C -0.321 176.494 176.870 -0.093 0.000 1.202 305 L CA 0.508 55.318 54.840 -0.050 0.000 0.920 305 L CB -1.814 40.236 42.059 -0.013 0.000 2.054 305 L HN 0.156 nan 8.230 nan 0.000 0.815 306 L N -1.758 119.435 121.223 -0.051 0.000 2.298 306 L HA 0.674 5.015 4.340 0.001 0.000 0.268 306 L C 0.122 176.898 176.870 -0.157 0.000 1.010 306 L CA -0.861 53.986 54.840 0.012 0.000 0.812 306 L CB 1.033 43.255 42.059 0.272 0.000 1.331 306 L HN -0.197 nan 8.230 nan 0.000 0.450 307 F N -0.400 119.647 119.950 0.163 0.000 2.422 307 F HA 0.733 5.260 4.527 0.001 0.000 0.333 307 F C 0.652 176.566 175.800 0.190 0.000 1.095 307 F CA -0.525 57.556 58.000 0.135 0.000 1.038 307 F CB 1.913 40.971 39.000 0.096 0.000 1.156 307 F HN 0.322 nan 8.300 nan 0.000 0.483 308 G N 1.277 110.265 108.800 0.312 0.000 2.733 308 G HA2 0.527 4.487 3.960 0.001 0.000 0.297 308 G HA3 0.527 4.487 3.960 0.001 0.000 0.297 308 G C -2.473 172.535 174.900 0.181 0.000 1.422 308 G CA -0.461 44.802 45.100 0.271 0.000 0.942 308 G HN 0.479 nan 8.290 nan 0.000 0.510 309 D N -0.317 120.179 120.400 0.161 0.000 2.654 309 D HA 0.390 5.031 4.640 0.001 0.000 0.231 309 D C -0.414 175.944 176.300 0.098 0.000 1.239 309 D CA -0.309 53.754 54.000 0.105 0.000 0.790 309 D CB 2.459 43.311 40.800 0.087 0.000 1.480 309 D HN 0.317 nan 8.370 nan 0.000 0.442 310 V N 2.368 122.321 119.914 0.064 0.000 2.479 310 V HA 0.175 4.296 4.120 0.001 0.000 0.281 310 V C 1.154 177.286 176.094 0.064 0.000 1.031 310 V CA -0.053 62.283 62.300 0.060 0.000 1.038 310 V CB 1.037 32.878 31.823 0.029 0.000 0.981 310 V HN 0.511 nan 8.190 nan 0.000 0.478 311 V N 3.524 123.493 119.914 0.092 0.000 3.219 311 V HA 0.458 4.579 4.120 0.001 0.000 0.240 311 V C 0.797 176.984 176.094 0.155 0.000 1.222 311 V CA 1.035 63.400 62.300 0.109 0.000 1.181 311 V CB 0.726 32.605 31.823 0.094 0.000 0.941 311 V HN 0.886 nan 8.190 nan 0.000 0.471 312 A N -0.231 122.666 122.820 0.129 0.000 2.423 312 A HA 0.681 5.001 4.320 0.001 0.000 0.304 312 A C -0.939 176.715 177.584 0.116 0.000 1.104 312 A CA -0.375 51.729 52.037 0.112 0.000 0.757 312 A CB 1.821 20.846 19.000 0.042 0.000 1.313 312 A HN 0.019 nan 8.150 nan 0.000 0.423 313 E N 0.580 120.843 120.200 0.104 0.000 2.151 313 E HA 0.524 4.875 4.350 0.001 0.000 0.275 313 E C -0.946 175.682 176.600 0.047 0.000 0.936 313 E CA -0.501 55.949 56.400 0.083 0.000 0.777 313 E CB 1.482 31.251 29.700 0.115 0.000 1.108 313 E HN 0.734 nan 8.360 nan 0.000 0.401 314 V N 6.338 126.282 119.914 0.050 0.000 2.488 314 V HA 0.378 4.498 4.120 0.001 0.000 0.277 314 V C 0.666 176.783 176.094 0.039 0.000 1.046 314 V CA 0.138 62.465 62.300 0.046 0.000 0.986 314 V CB -0.064 31.789 31.823 0.050 0.000 0.989 314 V HN 0.742 nan 8.190 nan 0.000 0.475 315 I N 0.870 121.461 120.570 0.036 0.000 3.108 315 I HA 0.589 4.759 4.170 0.001 0.000 0.312 315 I C 0.891 177.028 176.117 0.033 0.000 1.095 315 I CA -0.642 60.677 61.300 0.031 0.000 1.000 315 I CB 2.044 40.059 38.000 0.024 0.000 1.229 315 I HN 0.483 nan 8.210 nan 0.000 0.454 316 E N 0.952 121.170 120.200 0.029 0.000 2.076 316 E HA -0.029 4.322 4.350 0.001 0.000 0.190 316 E C 0.510 177.128 176.600 0.030 0.000 0.979 316 E CA 0.324 56.741 56.400 0.028 0.000 0.807 316 E CB 0.261 29.975 29.700 0.024 0.000 0.761 316 E HN 0.680 nan 8.360 nan 0.000 0.454 317 E N 1.566 121.783 120.200 0.029 0.000 2.415 317 E HA -0.016 4.334 4.350 0.001 0.000 0.263 317 E C -2.163 174.462 176.600 0.042 0.000 0.995 317 E CA -1.720 54.699 56.400 0.032 0.000 0.915 317 E CB 0.844 30.561 29.700 0.028 0.000 0.951 317 E HN 0.094 nan 8.360 nan 0.000 0.449 318 P HA 0.073 nan 4.420 nan 0.000 0.220 318 P C -0.500 176.846 177.300 0.077 0.000 1.778 318 P CA 0.120 63.255 63.100 0.059 0.000 0.912 318 P CB 0.068 31.798 31.700 0.050 0.000 1.861 319 V N 1.210 121.172 119.914 0.079 0.000 2.630 319 V HA 0.367 4.487 4.120 0.001 0.000 0.305 319 V C -1.072 175.106 176.094 0.140 0.000 1.046 319 V CA -1.135 61.222 62.300 0.096 0.000 0.934 319 V CB 1.832 33.691 31.823 0.060 0.000 1.003 319 V HN 0.084 nan 8.190 nan 0.000 0.451 320 Y N 6.593 126.902 120.300 0.016 0.000 2.491 320 Y HA 0.565 5.115 4.550 0.001 0.000 0.334 320 Y C 0.152 176.051 175.900 -0.002 0.000 0.969 320 Y CA -0.408 57.693 58.100 0.001 0.000 1.241 320 Y CB 0.574 39.031 38.460 -0.006 0.000 1.105 320 Y HN 0.618 nan 8.280 nan 0.000 0.503 321 R N 5.494 125.829 120.500 -0.275 0.000 2.310 321 R HA 0.673 5.013 4.340 0.001 0.000 0.324 321 R C -1.560 174.528 176.300 -0.352 0.000 0.955 321 R CA -0.442 55.531 56.100 -0.212 0.000 0.830 321 R CB 0.760 30.981 30.300 -0.132 0.000 1.154 321 R HN 0.572 nan 8.270 nan 0.000 0.458 325 R N 1.242 121.645 120.500 -0.161 0.000 3.883 325 R HA -0.343 3.998 4.340 0.001 0.000 0.407 325 R C 0.022 176.358 176.300 0.059 0.000 0.242 325 R CA 1.657 57.739 56.100 -0.030 0.000 1.306 325 R CB -1.157 29.170 30.300 0.045 0.000 0.973 325 R HN 0.716 nan 8.270 nan 0.000 0.574 326 N N 2.432 121.178 118.700 0.078 0.000 2.280 326 N HA 0.049 4.789 4.740 0.001 0.000 0.192 326 N C -0.690 174.867 175.510 0.078 0.000 1.109 326 N CA 0.357 53.449 53.050 0.070 0.000 0.855 326 N CB 0.147 38.666 38.487 0.054 0.000 0.974 326 N HN 0.286 nan 8.380 nan 0.000 0.482 327 D N 1.163 121.631 120.400 0.112 0.000 2.277 327 D HA 0.091 4.731 4.640 0.001 0.000 0.249 327 D C 0.368 176.724 176.300 0.095 0.000 1.134 327 D CA -0.175 53.889 54.000 0.107 0.000 0.863 327 D CB 1.846 42.726 40.800 0.134 0.000 1.143 327 D HN -0.007 nan 8.370 nan 0.000 0.458 328 L N 3.264 124.526 121.223 0.065 0.000 2.433 328 L HA 0.082 4.423 4.340 0.001 0.000 0.275 328 L C -0.021 176.891 176.870 0.070 0.000 1.128 328 L CA -0.172 54.699 54.840 0.051 0.000 0.875 328 L CB 0.571 42.653 42.059 0.037 0.000 1.171 328 L HN 0.056 nan 8.230 nan 0.000 0.463 332 V N 0.292 120.302 119.914 0.161 0.000 3.159 332 V HA 0.756 4.876 4.120 0.001 0.000 0.308 332 V C -2.825 173.366 176.094 0.161 0.000 1.190 332 V CA -2.551 59.848 62.300 0.165 0.000 1.037 332 V CB 1.560 33.528 31.823 0.242 0.000 1.060 332 V HN 0.453 nan 8.190 nan 0.000 0.437 333 P HA 0.179 nan 4.420 nan 0.000 0.267 333 P C 0.763 178.141 177.300 0.130 0.000 1.209 333 P CA 0.253 63.427 63.100 0.122 0.000 0.763 333 P CB 1.218 32.981 31.700 0.105 0.000 0.816 334 V N 3.330 123.313 119.914 0.116 0.000 2.490 334 V HA -0.221 3.900 4.120 0.001 0.000 0.250 334 V C 1.773 177.891 176.094 0.041 0.000 1.061 334 V CA 1.944 64.286 62.300 0.071 0.000 1.064 334 V CB -0.641 31.244 31.823 0.104 0.000 0.670 334 V HN 0.502 nan 8.190 nan 0.000 0.461 335 Q N -1.038 118.806 119.800 0.073 0.000 2.451 335 Q HA 0.018 4.359 4.340 0.001 0.000 0.206 335 Q C 1.841 177.922 176.000 0.135 0.000 0.947 335 Q CA 0.633 56.481 55.803 0.074 0.000 0.937 335 Q CB 0.092 28.864 28.738 0.057 0.000 1.025 335 Q HN 0.555 nan 8.270 nan 0.000 0.511 336 L N -0.070 121.270 121.223 0.195 0.000 2.102 336 L HA -0.025 4.315 4.340 0.001 0.000 0.202 336 L C 1.967 179.165 176.870 0.547 0.000 1.076 336 L CA 1.277 56.340 54.840 0.371 0.000 0.761 336 L CB -0.547 41.722 42.059 0.349 0.000 0.921 336 L HN 0.108 nan 8.230 nan 0.000 0.444 337 L N -0.401 120.946 121.223 0.207 0.000 2.042 337 L HA -0.199 4.142 4.340 0.001 0.000 0.210 337 L C 2.441 179.397 176.870 0.143 0.000 1.076 337 L CA 1.428 56.218 54.840 -0.083 0.000 0.749 337 L CB -0.749 41.059 42.059 -0.419 0.000 0.893 337 L HN 0.361 nan 8.230 nan 0.000 0.432 338 A N -1.426 121.450 122.820 0.094 0.000 2.178 338 A HA 0.032 4.352 4.320 0.001 0.000 0.211 338 A C 0.687 178.307 177.584 0.060 0.000 1.157 338 A CA 0.348 52.414 52.037 0.048 0.000 0.780 338 A CB -0.124 18.876 19.000 -0.000 0.000 0.828 338 A HN 0.388 nan 8.150 nan 0.000 0.476 339 N N 0.836 119.598 118.700 0.103 0.000 2.626 339 N HA 0.445 5.186 4.740 0.001 0.000 0.249 339 N C -0.510 174.874 175.510 -0.209 0.000 1.021 339 N CA 0.036 53.071 53.050 -0.026 0.000 0.886 339 N CB 1.612 40.083 38.487 -0.027 0.000 1.149 339 N HN 0.296 nan 8.380 nan 0.000 0.517 340 A N 2.949 125.503 122.820 -0.443 0.000 2.425 340 A HA 0.374 4.695 4.320 0.001 0.000 0.242 340 A C -2.055 174.974 177.584 -0.925 0.000 1.077 340 A CA -0.759 50.596 52.037 -1.136 0.000 0.781 340 A CB -0.259 18.346 19.000 -0.658 0.000 1.020 340 A HN 0.315 nan 8.150 nan 0.000 0.494 341 P HA 0.102 nan 4.420 nan 0.000 0.265 341 P C -0.601 176.366 177.300 -0.555 0.000 1.187 341 P CA 0.460 63.047 63.100 -0.856 0.000 0.766 341 P CB 0.358 31.366 31.700 -1.154 0.000 0.820 342 E N 1.990 121.970 120.200 -0.367 0.000 2.133 342 E HA 0.157 4.507 4.350 0.001 0.000 0.274 342 E C -0.306 176.155 176.600 -0.232 0.000 0.930 342 E CA -0.674 55.568 56.400 -0.263 0.000 0.770 342 E CB 0.975 30.550 29.700 -0.208 0.000 1.104 342 E HN 0.390 nan 8.360 nan 0.000 0.403 343 E N 2.850 122.903 120.200 -0.245 0.000 2.313 343 E HA 0.063 4.413 4.350 0.001 0.000 0.276 343 E C -0.374 176.112 176.600 -0.190 0.000 1.031 343 E CA -0.228 56.038 56.400 -0.223 0.000 0.857 343 E CB 0.701 30.178 29.700 -0.370 0.000 1.040 343 E HN 0.431 nan 8.360 nan 0.000 0.408 344 D N 2.267 122.585 120.400 -0.136 0.000 2.478 344 D HA 0.002 4.642 4.640 0.001 0.000 0.234 344 D C 0.838 177.038 176.300 -0.167 0.000 1.154 344 D CA 0.441 54.363 54.000 -0.131 0.000 0.874 344 D CB 0.631 41.388 40.800 -0.072 0.000 1.198 344 D HN 0.363 nan 8.370 nan 0.000 0.455 345 I N -1.948 118.480 120.570 -0.238 0.000 2.834 345 I HA 0.341 4.511 4.170 0.001 0.000 0.305 345 I C -0.180 175.935 176.117 -0.003 0.000 1.008 345 I CA -0.885 60.245 61.300 -0.284 0.000 1.273 345 I CB 0.907 38.592 38.000 -0.525 0.000 1.432 345 I HN -0.067 nan 8.210 nan 0.000 0.557 346 V N 2.730 122.751 119.914 0.178 0.000 2.472 346 V HA 0.291 4.412 4.120 0.001 0.000 0.290 346 V C 0.091 176.304 176.094 0.197 0.000 1.037 346 V CA -0.714 61.686 62.300 0.165 0.000 0.908 346 V CB 1.112 33.044 31.823 0.183 0.000 0.985 346 V HN 0.665 nan 8.190 nan 0.000 0.454 347 E N 3.021 123.293 120.200 0.120 0.000 2.299 347 E HA 0.143 4.494 4.350 0.001 0.000 0.272 347 E C -1.068 175.601 176.600 0.115 0.000 1.043 347 E CA 0.035 56.500 56.400 0.107 0.000 0.895 347 E CB 0.957 30.683 29.700 0.043 0.000 1.011 347 E HN 0.599 nan 8.360 nan 0.000 0.432 348 Y N 1.950 122.253 120.300 0.005 0.000 2.330 348 Y HA 0.211 4.762 4.550 0.001 0.000 0.336 348 Y C -0.360 175.477 175.900 -0.105 0.000 1.036 348 Y CA -0.334 57.736 58.100 -0.050 0.000 1.125 348 Y CB 1.374 39.796 38.460 -0.063 0.000 1.194 348 Y HN 0.168 nan 8.280 nan 0.000 0.469 349 T N 8.758 122.862 114.554 -0.751 0.000 2.791 349 T HA 0.349 4.700 4.350 0.001 0.000 0.288 349 T C -2.720 171.481 174.700 -0.831 0.000 0.999 349 T CA -1.385 60.376 62.100 -0.566 0.000 0.952 349 T CB 0.934 69.601 68.868 -0.335 0.000 0.938 349 T HN 0.420 nan 8.240 nan 0.000 0.444 350 P HA 0.361 nan 4.420 nan 0.000 0.276 350 P C 0.489 177.688 177.300 -0.169 0.000 1.243 350 P CA -0.210 62.560 63.100 -0.550 0.000 0.768 350 P CB 0.700 31.889 31.700 -0.852 0.000 0.856 351 G N 2.587 111.386 108.800 -0.002 0.000 2.494 351 G HA2 0.240 4.200 3.960 0.001 0.000 0.270 351 G HA3 0.240 4.200 3.960 0.001 0.000 0.270 351 G C -0.458 174.598 174.900 0.260 0.000 1.423 351 G CA -0.736 44.417 45.100 0.089 0.000 1.055 351 G HN 0.353 nan 8.290 nan 0.000 0.536 352 K N -0.464 119.988 120.400 0.087 0.000 2.355 352 K HA 0.146 4.466 4.320 0.001 0.000 0.270 352 K C 0.418 176.824 176.600 -0.323 0.000 1.003 352 K CA 0.052 56.306 56.287 -0.056 0.000 0.957 352 K CB 0.789 33.227 32.500 -0.102 0.000 0.939 352 K HN 0.256 nan 8.250 nan 0.000 0.482 353 I N 5.280 125.326 120.570 -0.873 0.000 2.828 353 I HA -0.042 4.128 4.170 0.001 0.000 0.292 353 I C -1.428 174.300 176.117 -0.647 0.000 1.206 353 I CA -1.282 59.227 61.300 -1.319 0.000 1.420 353 I CB -0.403 36.952 38.000 -1.076 0.000 1.368 353 I HN 0.447 nan 8.210 nan 0.000 0.556 354 P HA 0.128 nan 4.420 nan 0.000 0.276 354 P C -0.462 176.492 177.300 -0.576 0.000 1.252 354 P CA -0.519 62.288 63.100 -0.488 0.000 0.802 354 P CB 0.817 32.231 31.700 -0.476 0.000 1.035 355 E N 0.423 120.405 120.200 -0.365 0.000 2.360 355 E HA 0.165 4.516 4.350 0.001 0.000 0.269 355 E C -0.951 175.453 176.600 -0.327 0.000 1.022 355 E CA -0.240 56.014 56.400 -0.243 0.000 0.887 355 E CB 0.155 29.788 29.700 -0.111 0.000 0.990 355 E HN 0.214 nan 8.360 nan 0.000 0.426 356 F N 2.828 122.766 119.950 -0.021 0.000 2.450 356 F HA 0.342 4.869 4.527 0.001 0.000 0.332 356 F C 0.711 176.513 175.800 0.004 0.000 1.093 356 F CA -0.619 57.374 58.000 -0.013 0.000 1.003 356 F CB 1.338 40.322 39.000 -0.026 0.000 1.151 356 F HN 0.222 nan 8.300 nan 0.000 0.474 357 K N 1.061 121.585 120.400 0.207 0.000 2.090 357 K HA 0.717 5.037 4.320 0.001 0.000 0.250 357 K C 0.162 176.840 176.600 0.130 0.000 1.004 357 K CA -0.828 55.539 56.287 0.134 0.000 0.919 357 K CB 0.563 33.123 32.500 0.100 0.000 1.045 357 K HN 0.693 nan 8.250 nan 0.000 0.471 358 R N 1.160 121.720 120.500 0.100 0.000 2.216 358 R HA 0.320 4.661 4.340 0.001 0.000 0.332 358 R C -0.443 175.915 176.300 0.097 0.000 1.056 358 R CA -0.492 55.660 56.100 0.087 0.000 0.901 358 R CB -0.012 30.339 30.300 0.085 0.000 1.039 358 R HN 0.404 nan 8.270 nan 0.000 0.456 359 V N 1.999 121.973 119.914 0.101 0.000 2.472 359 V HA 0.545 4.665 4.120 0.001 0.000 0.290 359 V C 0.990 177.246 176.094 0.269 0.000 1.037 359 V CA -0.533 61.869 62.300 0.171 0.000 0.908 359 V CB 1.613 33.547 31.823 0.184 0.000 0.985 359 V HN 1.025 nan 8.190 nan 0.000 0.454 360 E N 4.561 124.911 120.200 0.250 0.000 2.037 360 E HA 0.252 4.603 4.350 0.001 0.000 0.253 360 E C -0.931 175.853 176.600 0.307 0.000 1.265 360 E CA 0.156 56.687 56.400 0.219 0.000 0.972 360 E CB -0.385 29.378 29.700 0.104 0.000 1.054 360 E HN 0.444 nan 8.360 nan 0.000 0.432 361 F N 1.166 121.149 119.950 0.054 0.000 2.460 361 F HA 0.326 4.853 4.527 0.001 0.000 0.341 361 F C 0.260 176.089 175.800 0.049 0.000 1.130 361 F CA -1.089 56.951 58.000 0.067 0.000 0.962 361 F CB 2.239 41.287 39.000 0.081 0.000 1.171 361 F HN 0.280 nan 8.300 nan 0.000 0.436 362 E N 1.599 121.871 120.200 0.120 0.000 2.266 362 E HA 0.328 4.678 4.350 0.001 0.000 0.277 362 E C -0.517 176.123 176.600 0.067 0.000 1.018 362 E CA -0.823 55.624 56.400 0.078 0.000 0.840 362 E CB 1.676 31.392 29.700 0.027 0.000 1.082 362 E HN 0.582 nan 8.360 nan 0.000 0.395 363 E N 0.500 120.734 120.200 0.056 0.000 2.197 363 E HA 0.430 4.780 4.350 0.001 0.000 0.281 363 E C -0.443 176.157 176.600 0.000 0.000 0.995 363 E CA -0.655 55.764 56.400 0.032 0.000 0.808 363 E CB 1.699 31.420 29.700 0.035 0.000 1.093 363 E HN 0.348 nan 8.360 nan 0.000 0.394 364 V N 1.143 121.046 119.914 -0.018 0.000 2.532 364 V HA 0.274 4.394 4.120 0.001 0.000 0.295 364 V C 0.273 176.352 176.094 -0.025 0.000 1.041 364 V CA -1.290 60.992 62.300 -0.030 0.000 0.926 364 V CB 1.427 33.218 31.823 -0.053 0.000 0.992 364 V HN 0.589 nan 8.190 nan 0.000 0.457 365 N N 2.317 121.000 118.700 -0.027 0.000 2.434 365 N HA 0.143 4.884 4.740 0.001 0.000 0.268 365 N C 1.070 176.580 175.510 -0.000 0.000 1.256 365 N CA 0.715 53.752 53.050 -0.023 0.000 0.914 365 N CB 1.721 40.190 38.487 -0.030 0.000 1.088 365 N HN 0.935 nan 8.380 nan 0.000 0.478 366 A N 5.008 127.849 122.820 0.034 0.000 1.902 366 A HA -0.149 4.171 4.320 0.001 0.000 0.217 366 A C 2.191 179.907 177.584 0.220 0.000 1.181 366 A CA 1.258 53.381 52.037 0.144 0.000 0.623 366 A CB -0.274 18.814 19.000 0.147 0.000 0.818 366 A HN 0.807 nan 8.150 nan 0.000 0.443 367 R N -0.327 120.227 120.500 0.090 0.000 2.092 367 R HA -0.106 4.235 4.340 0.001 0.000 0.231 367 R C 2.061 178.399 176.300 0.064 0.000 1.119 367 R CA 1.513 57.653 56.100 0.066 0.000 0.970 367 R CB -0.218 30.064 30.300 -0.029 0.000 0.864 367 R HN 0.670 nan 8.270 nan 0.000 0.440 368 E N -0.348 119.865 120.200 0.022 0.000 2.051 368 E HA -0.165 4.185 4.350 0.001 0.000 0.192 368 E C 1.977 178.572 176.600 -0.008 0.000 0.991 368 E CA 1.596 57.994 56.400 -0.003 0.000 0.799 368 E CB 0.058 29.744 29.700 -0.023 0.000 0.748 368 E HN 0.159 nan 8.360 nan 0.000 0.449 369 V N 0.690 120.589 119.914 -0.024 0.000 2.295 369 V HA -0.243 3.877 4.120 0.001 0.000 0.246 369 V C 1.991 178.039 176.094 -0.076 0.000 1.049 369 V CA 1.693 63.931 62.300 -0.103 0.000 1.024 369 V CB -0.485 31.213 31.823 -0.210 0.000 0.648 369 V HN 0.186 nan 8.190 nan 0.000 0.447 370 F N 0.144 120.156 119.950 0.104 0.000 2.259 370 F HA -0.053 4.475 4.527 0.001 0.000 0.298 370 F C 2.450 178.340 175.800 0.149 0.000 1.088 370 F CA 1.435 59.554 58.000 0.198 0.000 1.358 370 F CB -0.399 38.751 39.000 0.250 0.000 1.040 370 F HN 0.170 nan 8.300 nan 0.000 0.505 371 E N 0.488 120.813 120.200 0.207 0.000 2.171 371 E HA -0.320 4.030 4.350 0.001 0.000 0.197 371 E C 2.289 178.888 176.600 -0.001 0.000 0.997 371 E CA 1.507 57.959 56.400 0.086 0.000 0.810 371 E CB 0.021 29.734 29.700 0.022 0.000 0.738 371 E HN 0.569 nan 8.360 nan 0.000 0.467 372 Q N -0.308 119.420 119.800 -0.120 0.000 2.291 372 Q HA -0.132 4.209 4.340 0.001 0.000 0.205 372 Q C 0.894 176.590 176.000 -0.508 0.000 0.970 372 Q CA 1.458 57.048 55.803 -0.355 0.000 0.876 372 Q CB -0.582 27.839 28.738 -0.527 0.000 0.935 372 Q HN 0.475 nan 8.270 nan 0.000 0.455 373 Y N 1.239 121.597 120.300 0.096 0.000 2.746 373 Y HA 0.255 4.805 4.550 0.001 0.000 0.312 373 Y C -0.229 175.765 175.900 0.157 0.000 1.117 373 Y CA -1.031 57.140 58.100 0.119 0.000 1.324 373 Y CB -0.192 38.343 38.460 0.124 0.000 1.173 373 Y HN 0.393 nan 8.280 nan 0.000 0.529 374 D N 0.494 120.998 120.400 0.174 0.000 2.697 374 D HA -0.289 4.352 4.640 0.001 0.000 0.235 374 D C -0.149 176.274 176.300 0.205 0.000 1.167 374 D CA 1.229 55.314 54.000 0.142 0.000 0.656 374 D CB -1.111 39.755 40.800 0.110 0.000 1.025 374 D HN 0.594 nan 8.370 nan 0.000 0.419 378 G N 3.292 111.962 108.800 -0.215 0.000 2.147 378 G HA2 -0.277 3.683 3.960 0.001 0.000 0.244 378 G HA3 -0.277 3.683 3.960 0.001 0.000 0.244 378 G C 0.673 175.491 174.900 -0.137 0.000 1.005 378 G CA 0.892 45.889 45.100 -0.171 0.000 0.713 378 G HN 0.849 nan 8.290 nan 0.000 0.515 379 T N -0.303 114.166 114.554 -0.141 0.000 2.746 379 T HA -0.034 4.316 4.350 0.001 0.000 0.267 379 T C 1.301 175.945 174.700 -0.094 0.000 1.039 379 T CA 1.638 63.668 62.100 -0.117 0.000 1.142 379 T CB -0.081 68.716 68.868 -0.119 0.000 0.866 379 T HN 0.368 nan 8.240 nan 0.000 0.444 380 D N 2.529 122.874 120.400 -0.093 0.000 3.110 380 D HA 0.148 4.788 4.640 0.001 0.000 0.254 380 D C -0.182 176.070 176.300 -0.080 0.000 1.283 380 D CA -0.226 53.728 54.000 -0.076 0.000 0.944 380 D CB -0.301 40.456 40.800 -0.070 0.000 1.066 380 D HN 0.384 nan 8.370 nan 0.000 0.496 381 T N -3.596 110.915 114.554 -0.073 0.000 2.908 381 T HA 0.318 4.669 4.350 0.001 0.000 0.290 381 T C 1.479 176.161 174.700 -0.030 0.000 1.034 381 T CA -0.775 61.285 62.100 -0.067 0.000 1.010 381 T CB 1.655 70.483 68.868 -0.066 0.000 1.068 381 T HN -0.179 nan 8.240 nan 0.000 0.481 382 V N 1.187 121.088 119.914 -0.021 0.000 2.343 382 V HA 0.041 4.161 4.120 0.001 0.000 0.247 382 V C 1.113 177.253 176.094 0.076 0.000 1.051 382 V CA 1.143 63.453 62.300 0.017 0.000 1.036 382 V CB -0.350 31.480 31.823 0.011 0.000 0.654 382 V HN 0.737 nan 8.190 nan 0.000 0.451 383 V N -0.692 119.285 119.914 0.105 0.000 2.962 383 V HA 0.481 4.601 4.120 0.001 0.000 0.313 383 V C -2.612 173.582 176.094 0.166 0.000 1.099 383 V CA -2.266 60.164 62.300 0.217 0.000 0.971 383 V CB 2.452 34.453 31.823 0.297 0.000 1.028 383 V HN 0.183 nan 8.190 nan 0.000 0.430 384 P HA 0.176 nan 4.420 nan 0.000 0.265 384 P C -2.211 175.073 177.300 -0.028 0.000 1.193 384 P CA -0.907 62.175 63.100 -0.029 0.000 0.765 384 P CB 0.178 31.748 31.700 -0.217 0.000 0.823 385 P HA -0.108 nan 4.420 nan 0.000 0.226 385 P C 1.493 178.778 177.300 -0.026 0.000 1.153 385 P CA 1.245 64.334 63.100 -0.018 0.000 0.777 385 P CB -0.336 31.305 31.700 -0.099 0.000 0.794 386 G N -0.410 108.294 108.800 -0.160 0.000 2.499 386 G HA2 -0.246 3.714 3.960 0.001 0.000 0.221 386 G HA3 -0.246 3.714 3.960 0.001 0.000 0.221 386 G C 0.953 175.820 174.900 -0.055 0.000 1.109 386 G CA 0.309 45.295 45.100 -0.190 0.000 0.749 386 G HN 0.166 nan 8.290 nan 0.000 0.568 387 F N 0.219 120.223 119.950 0.090 0.000 2.710 387 F HA 0.340 4.868 4.527 0.001 0.000 0.298 387 F C 2.120 177.966 175.800 0.076 0.000 1.137 387 F CA 0.154 58.205 58.000 0.085 0.000 1.444 387 F CB 0.415 39.456 39.000 0.069 0.000 1.111 387 F HN 0.293 nan 8.300 nan 0.000 0.580 388 G N -0.935 108.015 108.800 0.251 0.000 2.901 388 G HA2 0.212 4.172 3.960 0.001 0.000 0.194 388 G HA3 0.212 4.172 3.960 0.001 0.000 0.194 388 G C -0.005 174.989 174.900 0.158 0.000 1.020 388 G CA -0.226 44.986 45.100 0.185 0.000 0.787 388 G HN 0.547 nan 8.290 nan 0.000 0.477 389 A N -0.288 122.623 122.820 0.152 0.000 2.486 389 A HA 0.966 5.286 4.320 0.001 0.000 0.300 389 A C -0.113 177.561 177.584 0.150 0.000 1.048 389 A CA 0.489 52.616 52.037 0.150 0.000 0.696 389 A CB 1.425 20.463 19.000 0.065 0.000 1.278 389 A HN 1.963 nan 8.150 nan 0.000 0.405 390 A N 1.577 124.521 122.820 0.206 0.000 2.354 390 A HA 0.609 4.930 4.320 0.001 0.000 0.281 390 A C 0.031 177.607 177.584 -0.014 0.000 1.174 390 A CA -0.152 51.943 52.037 0.097 0.000 0.828 390 A CB -0.119 18.971 19.000 0.151 0.000 1.099 390 A HN 1.171 nan 8.150 nan 0.000 0.516 394 I N 0.870 121.417 120.570 -0.039 0.000 2.947 394 I HA 0.123 4.293 4.170 0.001 0.000 0.263 394 I C 0.381 176.447 176.117 -0.085 0.000 1.130 394 I CA 0.347 61.594 61.300 -0.088 0.000 1.448 394 I CB 0.524 38.459 38.000 -0.108 0.000 1.222 394 I HN 0.248 nan 8.210 nan 0.000 0.453 395 K N -0.828 119.559 120.400 -0.021 0.000 2.399 395 K HA 0.401 4.722 4.320 0.001 0.000 0.260 395 K C 0.655 177.269 176.600 0.022 0.000 1.049 395 K CA -0.716 55.582 56.287 0.018 0.000 0.890 395 K CB 1.670 34.214 32.500 0.074 0.000 1.430 395 K HN -0.016 nan 8.250 nan 0.000 0.459 396 R N 1.164 121.684 120.500 0.032 0.000 2.080 396 R HA -0.156 4.185 4.340 0.001 0.000 0.236 396 R C 0.661 176.979 176.300 0.029 0.000 1.137 396 R CA 2.773 58.889 56.100 0.027 0.000 0.943 396 R CB -0.266 30.052 30.300 0.031 0.000 0.846 396 R HN 0.769 nan 8.270 nan 0.000 0.431 397 D N -1.276 119.148 120.400 0.040 0.000 2.463 397 D HA 0.149 4.789 4.640 0.001 0.000 0.224 397 D C -0.047 176.281 176.300 0.046 0.000 1.174 397 D CA -0.109 53.914 54.000 0.039 0.000 0.829 397 D CB 0.590 41.414 40.800 0.040 0.000 0.993 397 D HN 0.267 nan 8.370 nan 0.000 0.497 398 G N -1.283 107.546 108.800 0.048 0.000 2.662 398 G HA2 0.649 4.610 3.960 0.001 0.000 0.302 398 G HA3 0.649 4.610 3.960 0.001 0.000 0.302 398 G C -0.459 174.468 174.900 0.044 0.000 1.389 398 G CA -0.412 44.723 45.100 0.059 0.000 0.998 398 G HN 0.363 nan 8.290 nan 0.000 0.502 399 G N -0.413 108.422 108.800 0.058 0.000 2.554 399 G HA2 0.775 4.736 3.960 0.001 0.000 0.306 399 G HA3 0.775 4.736 3.960 0.001 0.000 0.306 399 G C -1.610 173.369 174.900 0.133 0.000 1.320 399 G CA -0.304 44.829 45.100 0.055 0.000 0.800 399 G HN 1.535 nan 8.290 nan 0.000 0.481 400 Y N -1.138 119.133 120.300 -0.049 0.000 2.655 400 Y HA 0.853 5.403 4.550 0.001 0.000 0.336 400 Y C -0.242 175.627 175.900 -0.051 0.000 1.154 400 Y CA -1.104 56.957 58.100 -0.065 0.000 1.055 400 Y CB 1.480 39.879 38.460 -0.101 0.000 1.295 400 Y HN 1.037 nan 8.280 nan 0.000 0.465 401 S N 1.620 117.331 115.700 0.018 0.000 2.568 401 S HA 0.864 5.335 4.470 0.001 0.000 0.293 401 S C -1.629 172.994 174.600 0.038 0.000 1.089 401 S CA -0.833 57.341 58.200 -0.043 0.000 0.945 401 S CB 1.804 64.990 63.200 -0.024 0.000 1.077 401 S HN 0.821 nan 8.310 nan 0.000 0.485 402 L N 1.942 123.192 121.223 0.045 0.000 2.410 402 L HA 0.723 5.063 4.340 0.001 0.000 0.270 402 L C -1.366 175.505 176.870 0.003 0.000 0.983 402 L CA -0.883 53.995 54.840 0.064 0.000 0.822 402 L CB 2.201 44.376 42.059 0.192 0.000 1.285 402 L HN 0.564 nan 8.230 nan 0.000 0.409 403 V N 1.642 121.466 119.914 -0.150 0.000 2.638 403 V HA 0.498 4.619 4.120 0.001 0.000 0.306 403 V C -0.335 175.516 176.094 -0.404 0.000 1.052 403 V CA -0.330 61.830 62.300 -0.233 0.000 0.885 403 V CB 2.424 34.194 31.823 -0.089 0.000 0.999 403 V HN 0.737 nan 8.190 nan 0.000 0.424 404 T N 3.807 117.971 114.554 -0.651 0.000 2.792 404 T HA 0.644 4.995 4.350 0.001 0.000 0.280 404 T C -1.340 173.334 174.700 -0.043 0.000 0.990 404 T CA -0.280 61.579 62.100 -0.402 0.000 0.960 404 T CB 0.622 69.109 68.868 -0.634 0.000 0.939 404 T HN 0.806 nan 8.240 nan 0.000 0.439 405 H N 1.180 120.204 119.070 -0.077 0.000 3.012 405 H HA 0.716 5.273 4.556 0.001 0.000 0.367 405 H C -0.968 174.365 175.328 0.009 0.000 1.211 405 H CA -0.513 55.529 56.048 -0.010 0.000 1.139 405 H CB 1.685 31.438 29.762 -0.014 0.000 1.838 405 H HN 0.677 nan 8.280 nan 0.000 0.550 406 S N 3.422 118.801 115.700 -0.536 0.000 2.596 406 S HA 0.631 5.102 4.470 0.001 0.000 0.270 406 S C -1.294 172.979 174.600 -0.546 0.000 1.155 406 S CA -1.177 56.783 58.200 -0.400 0.000 0.827 406 S CB 2.224 65.361 63.200 -0.106 0.000 1.130 406 S HN 0.568 nan 8.310 nan 0.000 0.467 407 R N 0.763 121.043 120.500 -0.366 0.000 2.674 407 R HA 0.474 4.814 4.340 0.001 0.000 0.270 407 R C 0.948 177.061 176.300 -0.312 0.000 1.492 407 R CA 0.048 55.936 56.100 -0.352 0.000 1.624 407 R CB 0.305 30.394 30.300 -0.352 0.000 1.307 407 R HN 0.835 nan 8.270 nan 0.000 0.683 408 A N 1.262 123.928 122.820 -0.257 0.000 2.019 408 A HA -0.200 4.120 4.320 0.001 0.000 0.219 408 A C 1.707 179.048 177.584 -0.405 0.000 1.164 408 A CA 1.791 53.721 52.037 -0.179 0.000 0.644 408 A CB -0.118 18.966 19.000 0.141 0.000 0.805 408 A HN 0.525 nan 8.150 nan 0.000 0.449 409 D N 0.236 120.102 120.400 -0.889 0.000 2.218 409 D HA -0.151 4.489 4.640 0.001 0.000 0.204 409 D C 1.756 177.837 176.300 -0.365 0.000 0.976 409 D CA 1.145 54.602 54.000 -0.905 0.000 0.853 409 D CB -0.404 39.767 40.800 -1.048 0.000 0.939 409 D HN 0.522 nan 8.370 nan 0.000 0.481 410 L N 0.314 121.317 121.223 -0.367 0.000 2.221 410 L HA 0.161 4.502 4.340 0.001 0.000 0.202 410 L C 2.858 179.708 176.870 -0.032 0.000 1.074 410 L CA 0.720 55.356 54.840 -0.340 0.000 0.795 410 L CB -0.434 41.193 42.059 -0.721 0.000 0.960 410 L HN -0.008 nan 8.230 nan 0.000 0.458 411 A N 0.314 123.083 122.820 -0.086 0.000 2.019 411 A HA -0.167 4.154 4.320 0.001 0.000 0.219 411 A C 2.274 179.884 177.584 0.042 0.000 1.164 411 A CA 1.162 53.198 52.037 -0.001 0.000 0.644 411 A CB -0.666 18.300 19.000 -0.056 0.000 0.805 411 A HN 0.336 nan 8.150 nan 0.000 0.449 412 L N -1.009 120.225 121.223 0.018 0.000 2.021 412 L HA -0.338 4.002 4.340 0.001 0.000 0.215 412 L C 2.917 179.839 176.870 0.086 0.000 1.074 412 L CA 2.189 57.056 54.840 0.045 0.000 0.760 412 L CB -0.353 41.734 42.059 0.047 0.000 0.889 412 L HN 0.564 nan 8.230 nan 0.000 0.433 413 Q N -1.936 117.951 119.800 0.145 0.000 2.134 413 Q HA 0.003 4.343 4.340 0.001 0.000 0.195 413 Q C 0.310 176.405 176.000 0.159 0.000 0.958 413 Q CA 0.549 56.447 55.803 0.158 0.000 0.840 413 Q CB 0.486 29.363 28.738 0.232 0.000 0.918 413 Q HN 0.243 nan 8.270 nan 0.000 0.467 414 D N -0.623 119.938 120.400 0.269 0.000 2.575 414 D HA 0.135 4.776 4.640 0.001 0.000 0.250 414 D C -0.112 176.341 176.300 0.256 0.000 1.279 414 D CA -0.071 54.089 54.000 0.267 0.000 0.925 414 D CB 1.820 42.803 40.800 0.306 0.000 1.261 414 D HN -0.095 nan 8.370 nan 0.000 0.567 415 T N 2.359 117.003 114.554 0.149 0.000 2.737 415 T HA -0.172 4.178 4.350 0.001 0.000 0.265 415 T C 1.599 176.283 174.700 -0.025 0.000 1.038 415 T CA 1.012 63.137 62.100 0.041 0.000 1.144 415 T CB -0.316 68.549 68.868 -0.004 0.000 0.866 415 T HN 0.534 nan 8.240 nan 0.000 0.434 416 Y N 0.321 120.521 120.300 -0.167 0.000 2.049 416 Y HA -0.216 4.335 4.550 0.001 0.000 0.277 416 Y C 2.125 177.883 175.900 -0.236 0.000 1.143 416 Y CA 1.330 59.245 58.100 -0.308 0.000 1.115 416 Y CB -0.537 37.720 38.460 -0.339 0.000 0.975 416 Y HN 0.240 nan 8.280 nan 0.000 0.487 417 W N 0.028 121.432 121.300 0.173 0.000 2.388 417 W HA -0.023 4.638 4.660 0.001 0.000 0.294 417 W C 2.702 179.191 176.519 -0.049 0.000 1.212 417 W CA 1.369 58.768 57.345 0.091 0.000 1.271 417 W CB -0.945 28.683 29.460 0.280 0.000 1.126 417 W HN 0.221 nan 8.180 nan 0.000 0.535 418 G N -0.305 108.620 108.800 0.207 0.000 2.446 418 G HA2 -0.262 3.698 3.960 0.001 0.000 0.217 418 G HA3 -0.262 3.698 3.960 0.001 0.000 0.217 418 G C 1.417 176.217 174.900 -0.166 0.000 1.168 418 G CA 1.782 46.843 45.100 -0.064 0.000 0.771 418 G HN 0.179 nan 8.290 nan 0.000 0.551 419 T N 0.917 115.363 114.554 -0.180 0.000 2.746 419 T HA -0.098 4.252 4.350 0.001 0.000 0.267 419 T C 2.308 176.846 174.700 -0.270 0.000 1.039 419 T CA 1.156 63.117 62.100 -0.231 0.000 1.142 419 T CB -0.224 68.489 68.868 -0.258 0.000 0.866 419 T HN 0.171 nan 8.240 nan 0.000 0.444 420 L N 0.462 121.448 121.223 -0.395 0.000 2.083 420 L HA -0.006 4.335 4.340 0.001 0.000 0.209 420 L C 2.194 178.955 176.870 -0.183 0.000 1.083 420 L CA 1.427 56.040 54.840 -0.379 0.000 0.752 420 L CB -0.312 41.356 42.059 -0.652 0.000 0.899 420 L HN 0.256 nan 8.230 nan 0.000 0.433 421 I N -0.450 120.011 120.570 -0.182 0.000 2.252 421 I HA -0.277 3.893 4.170 0.001 0.000 0.245 421 I C 2.719 178.805 176.117 -0.053 0.000 1.102 421 I CA 1.012 62.209 61.300 -0.171 0.000 1.385 421 I CB -0.589 37.195 38.000 -0.359 0.000 1.064 421 I HN 0.365 nan 8.210 nan 0.000 0.414 422 A N 0.696 123.461 122.820 -0.092 0.000 1.903 422 A HA -0.220 4.100 4.320 0.001 0.000 0.219 422 A C 2.396 180.039 177.584 0.098 0.000 1.191 422 A CA 2.389 54.407 52.037 -0.033 0.000 0.638 422 A CB -1.129 17.770 19.000 -0.168 0.000 0.823 422 A HN 0.276 nan 8.150 nan 0.000 0.451 423 V N 0.078 120.010 119.914 0.031 0.000 2.295 423 V HA -0.264 3.857 4.120 0.001 0.000 0.246 423 V C 2.554 178.741 176.094 0.154 0.000 1.049 423 V CA 1.944 64.287 62.300 0.072 0.000 1.024 423 V CB -0.924 30.921 31.823 0.038 0.000 0.648 423 V HN 0.571 nan 8.190 nan 0.000 0.447 424 L N -0.176 121.171 121.223 0.208 0.000 2.046 424 L HA -0.198 4.142 4.340 0.001 0.000 0.208 424 L C 2.627 179.719 176.870 0.369 0.000 1.077 424 L CA 1.755 56.845 54.840 0.417 0.000 0.747 424 L CB -0.714 41.603 42.059 0.431 0.000 0.896 424 L HN 0.421 nan 8.230 nan 0.000 0.432 425 E N -0.269 120.076 120.200 0.242 0.000 2.204 425 E HA -0.136 4.215 4.350 0.001 0.000 0.194 425 E C 2.268 178.881 176.600 0.021 0.000 0.989 425 E CA 1.201 57.689 56.400 0.146 0.000 0.824 425 E CB 0.002 29.777 29.700 0.124 0.000 0.756 425 E HN 0.421 nan 8.360 nan 0.000 0.477 426 S N 0.680 116.425 115.700 0.075 0.000 2.382 426 S HA -0.123 4.348 4.470 0.001 0.000 0.228 426 S C 2.246 176.808 174.600 -0.064 0.000 1.027 426 S CA 0.821 59.021 58.200 0.001 0.000 0.991 426 S CB -0.169 63.062 63.200 0.052 0.000 0.823 426 S HN 0.064 nan 8.310 nan 0.000 0.469 427 V N 2.263 122.125 119.914 -0.088 0.000 2.295 427 V HA -0.205 3.915 4.120 0.001 0.000 0.246 427 V C 2.520 178.417 176.094 -0.329 0.000 1.049 427 V CA 1.699 63.811 62.300 -0.313 0.000 1.024 427 V CB -0.669 30.753 31.823 -0.669 0.000 0.648 427 V HN 0.389 nan 8.190 nan 0.000 0.447 428 R N 0.095 120.507 120.500 -0.147 0.000 2.096 428 R HA -0.205 4.136 4.340 0.001 0.000 0.240 428 R C 2.450 178.711 176.300 -0.065 0.000 1.139 428 R CA 1.776 57.855 56.100 -0.035 0.000 0.952 428 R CB -0.392 29.992 30.300 0.140 0.000 0.854 428 R HN 0.503 nan 8.270 nan 0.000 0.436 429 K N -0.404 119.950 120.400 -0.077 0.000 2.057 429 K HA -0.096 4.224 4.320 0.001 0.000 0.207 429 K C 2.146 178.700 176.600 -0.076 0.000 1.049 429 K CA 1.812 58.054 56.287 -0.076 0.000 0.931 429 K CB -0.115 32.329 32.500 -0.093 0.000 0.714 429 K HN 0.190 nan 8.250 nan 0.000 0.440 430 T N 1.997 116.492 114.554 -0.098 0.000 2.737 430 T HA -0.068 4.282 4.350 0.001 0.000 0.265 430 T C 1.867 176.507 174.700 -0.100 0.000 1.038 430 T CA 0.962 63.006 62.100 -0.093 0.000 1.144 430 T CB -0.156 68.645 68.868 -0.111 0.000 0.866 430 T HN 0.108 nan 8.240 nan 0.000 0.434 431 L N 0.936 122.075 121.223 -0.139 0.000 2.131 431 L HA -0.070 4.270 4.340 0.001 0.000 0.210 431 L C 2.758 179.584 176.870 -0.074 0.000 1.092 431 L CA 0.803 55.574 54.840 -0.114 0.000 0.759 431 L CB -0.595 41.376 42.059 -0.147 0.000 0.903 431 L HN 0.223 nan 8.230 nan 0.000 0.435 432 S N -0.224 115.430 115.700 -0.078 0.000 2.423 432 S HA -0.105 4.366 4.470 0.001 0.000 0.231 432 S C 1.716 176.247 174.600 -0.115 0.000 1.014 432 S CA 1.368 59.513 58.200 -0.092 0.000 0.965 432 S CB -0.085 63.054 63.200 -0.102 0.000 0.785 432 S HN 0.449 nan 8.310 nan 0.000 0.495 433 V N -1.674 118.191 119.914 -0.081 0.000 3.649 433 V HA 0.577 4.698 4.120 0.001 0.000 0.275 433 V C 1.192 177.267 176.094 -0.031 0.000 1.281 433 V CA 0.387 62.655 62.300 -0.054 0.000 1.143 433 V CB -0.741 31.068 31.823 -0.023 0.000 0.892 433 V HN 0.446 nan 8.190 nan 0.000 0.441 434 G N -0.276 108.503 108.800 -0.036 0.000 2.141 434 G HA2 -0.020 3.940 3.960 0.001 0.000 0.242 434 G HA3 -0.020 3.940 3.960 0.001 0.000 0.242 434 G C 0.245 175.133 174.900 -0.021 0.000 0.982 434 G CA 0.186 45.273 45.100 -0.021 0.000 0.662 434 G HN 1.603 nan 8.290 nan 0.000 0.527 435 A N 0.037 122.838 122.820 -0.033 0.000 2.303 435 A HA 0.753 5.074 4.320 0.001 0.000 0.317 435 A C 0.283 177.839 177.584 -0.048 0.000 1.149 435 A CA 0.047 52.066 52.037 -0.031 0.000 0.822 435 A CB 0.531 19.513 19.000 -0.030 0.000 1.131 435 A HN 0.823 nan 8.150 nan 0.000 0.493 436 E N 2.076 122.254 120.200 -0.037 0.000 2.146 436 E HA 0.457 4.808 4.350 0.001 0.000 0.282 436 E C -2.782 173.786 176.600 -0.053 0.000 0.989 436 E CA -2.066 54.304 56.400 -0.049 0.000 0.799 436 E CB 0.492 30.175 29.700 -0.027 0.000 1.088 436 E HN 0.285 nan 8.360 nan 0.000 0.397 437 P HA -0.066 nan 4.420 nan 0.000 0.264 437 P C -0.278 177.003 177.300 -0.033 0.000 1.193 437 P CA 0.328 63.387 63.100 -0.069 0.000 0.763 437 P CB 0.582 32.217 31.700 -0.109 0.000 0.810 438 L N 1.860 123.070 121.223 -0.023 0.000 2.445 438 L HA 0.484 4.825 4.340 0.001 0.000 0.207 438 L C 0.948 177.844 176.870 0.043 0.000 1.053 438 L CA 0.422 55.262 54.840 0.000 0.000 0.841 438 L CB -0.017 42.026 42.059 -0.026 0.000 1.074 438 L HN 0.395 nan 8.230 nan 0.000 0.479 439 A N -0.256 122.605 122.820 0.068 0.000 2.586 439 A HA 0.660 4.980 4.320 0.001 0.000 0.291 439 A C -1.712 176.025 177.584 0.255 0.000 1.062 439 A CA -0.435 51.703 52.037 0.169 0.000 0.666 439 A CB 1.145 20.299 19.000 0.256 0.000 1.281 439 A HN -0.016 nan 8.150 nan 0.000 0.421 440 I N 0.755 121.462 120.570 0.228 0.000 2.474 440 I HA 0.556 4.727 4.170 0.001 0.000 0.294 440 I C 0.118 176.268 176.117 0.056 0.000 1.005 440 I CA -0.474 60.929 61.300 0.172 0.000 1.113 440 I CB 2.331 40.377 38.000 0.076 0.000 1.289 440 I HN 0.666 nan 8.210 nan 0.000 0.436 441 T N 4.765 119.294 114.554 -0.042 0.000 2.855 441 T HA 0.530 4.881 4.350 0.001 0.000 0.281 441 T C -0.876 173.763 174.700 -0.101 0.000 1.007 441 T CA -0.644 61.304 62.100 -0.253 0.000 1.009 441 T CB 0.761 69.268 68.868 -0.602 0.000 0.983 441 T HN 0.799 nan 8.240 nan 0.000 0.455 442 N N 1.608 120.254 118.700 -0.091 0.000 2.225 442 N HA 0.525 5.265 4.740 0.001 0.000 0.298 442 N C -1.408 174.080 175.510 -0.037 0.000 1.076 442 N CA -0.895 52.125 53.050 -0.050 0.000 0.792 442 N CB 1.718 40.181 38.487 -0.040 0.000 1.498 442 N HN 0.503 nan 8.380 nan 0.000 0.474 443 C N 3.107 122.391 119.300 -0.026 0.000 2.271 443 C HA 0.491 4.951 4.460 0.001 0.000 0.323 443 C C -0.292 174.684 174.990 -0.023 0.000 1.245 443 C CA -0.406 58.604 59.018 -0.013 0.000 1.548 443 C CB -0.595 27.144 27.740 -0.002 0.000 2.214 443 C HN 0.621 nan 8.230 nan 0.000 0.477 444 V N 8.488 128.393 119.914 -0.016 0.000 2.415 444 V HA 0.234 4.354 4.120 0.001 0.000 0.267 444 V C 0.213 176.305 176.094 -0.003 0.000 1.042 444 V CA 0.322 62.607 62.300 -0.026 0.000 1.000 444 V CB 0.051 31.852 31.823 -0.035 0.000 1.015 444 V HN 0.809 nan 8.190 nan 0.000 0.478 445 N N 4.892 123.594 118.700 0.002 0.000 2.446 445 N HA 0.453 5.193 4.740 0.001 0.000 0.265 445 N C -1.214 174.351 175.510 0.092 0.000 0.975 445 N CA -0.327 52.736 53.050 0.023 0.000 0.928 445 N CB 2.323 40.796 38.487 -0.023 0.000 1.160 445 N HN 0.683 nan 8.380 nan 0.000 0.495 446 Y N 0.222 120.478 120.300 -0.073 0.000 2.588 446 Y HA 0.488 5.039 4.550 0.001 0.000 0.343 446 Y C 0.631 176.472 175.900 -0.099 0.000 1.065 446 Y CA -0.640 57.402 58.100 -0.097 0.000 1.038 446 Y CB 1.292 39.669 38.460 -0.138 0.000 1.297 446 Y HN 0.487 nan 8.280 nan 0.000 0.467 447 G N 0.885 109.216 108.800 -0.783 0.000 2.711 447 G HA2 0.004 3.965 3.960 0.001 0.000 0.186 447 G HA3 0.004 3.965 3.960 0.001 0.000 0.186 447 G C -0.832 173.787 174.900 -0.468 0.000 1.635 447 G CA -0.080 44.688 45.100 -0.555 0.000 1.065 447 G HN 0.578 nan 8.290 nan 0.000 0.545 448 D N 0.561 120.731 120.400 -0.383 0.000 2.347 448 D HA 0.255 4.895 4.640 0.001 0.000 0.235 448 D C -1.315 174.878 176.300 -0.179 0.000 1.149 448 D CA -2.021 51.773 54.000 -0.344 0.000 0.850 448 D CB 1.874 42.631 40.800 -0.072 0.000 1.061 448 D HN -0.046 nan 8.370 nan 0.000 0.487 449 P HA -0.009 nan 4.420 nan 0.000 0.231 449 P C 0.491 177.794 177.300 0.004 0.000 1.168 449 P CA 0.379 63.437 63.100 -0.069 0.000 0.779 449 P CB 0.796 32.304 31.700 -0.320 0.000 0.844 450 D N -0.028 120.363 120.400 -0.014 0.000 2.123 450 D HA -0.065 4.575 4.640 0.001 0.000 0.200 450 D C 2.123 178.474 176.300 0.086 0.000 0.976 450 D CA 0.892 54.959 54.000 0.110 0.000 0.831 450 D CB -0.505 40.389 40.800 0.156 0.000 0.974 450 D HN 0.010 nan 8.370 nan 0.000 0.469 451 V N 0.601 120.550 119.914 0.058 0.000 2.358 451 V HA -0.140 3.980 4.120 0.001 0.000 0.246 451 V C 0.734 176.862 176.094 0.057 0.000 1.047 451 V CA 1.303 63.630 62.300 0.045 0.000 1.035 451 V CB -0.073 31.762 31.823 0.019 0.000 0.658 451 V HN 0.050 nan 8.190 nan 0.000 0.452 452 D N -1.016 119.433 120.400 0.082 0.000 2.443 452 D HA 0.233 4.874 4.640 0.001 0.000 0.281 452 D C -1.788 174.617 176.300 0.174 0.000 1.210 452 D CA -1.943 52.134 54.000 0.128 0.000 0.875 452 D CB 1.510 42.386 40.800 0.128 0.000 1.125 452 D HN 0.142 nan 8.370 nan 0.000 0.503 453 P HA -0.106 nan 4.420 nan 0.000 0.217 453 P C 1.614 178.949 177.300 0.058 0.000 1.151 453 P CA 0.353 63.515 63.100 0.104 0.000 0.828 453 P CB 0.654 32.427 31.700 0.123 0.000 0.788 454 V N 0.558 120.521 119.914 0.081 0.000 2.427 454 V HA -0.132 3.988 4.120 0.001 0.000 0.248 454 V C 2.794 178.872 176.094 -0.027 0.000 1.051 454 V CA 2.364 64.713 62.300 0.080 0.000 1.048 454 V CB -1.828 30.079 31.823 0.140 0.000 0.666 454 V HN 0.167 nan 8.190 nan 0.000 0.456 455 G N -0.665 108.149 108.800 0.023 0.000 2.440 455 G HA2 -0.235 3.725 3.960 0.001 0.000 0.218 455 G HA3 -0.235 3.725 3.960 0.001 0.000 0.218 455 G C 1.625 176.285 174.900 -0.400 0.000 1.154 455 G CA 0.943 46.045 45.100 0.003 0.000 0.767 455 G HN 0.431 nan 8.290 nan 0.000 0.552 456 L N 0.476 121.258 121.223 -0.734 0.000 2.027 456 L HA -0.061 4.280 4.340 0.001 0.000 0.206 456 L C 3.017 179.422 176.870 -0.775 0.000 1.074 456 L CA 1.687 55.920 54.840 -1.011 0.000 0.745 456 L CB -0.429 41.131 42.059 -0.832 0.000 0.898 456 L HN 0.380 nan 8.230 nan 0.000 0.433 457 S N -0.175 115.167 115.700 -0.597 0.000 2.374 457 S HA -0.134 4.336 4.470 0.001 0.000 0.227 457 S C 1.294 175.546 174.600 -0.580 0.000 1.037 457 S CA 0.905 58.734 58.200 -0.617 0.000 1.024 457 S CB -0.286 62.858 63.200 -0.093 0.000 0.861 457 S HN 0.515 nan 8.310 nan 0.000 0.456 462 A N 1.431 124.144 122.820 -0.179 0.000 1.902 462 A HA 0.087 4.408 4.320 0.001 0.000 0.217 462 A C 2.121 179.524 177.584 -0.303 0.000 1.181 462 A CA 1.771 53.482 52.037 -0.544 0.000 0.623 462 A CB -0.640 17.873 19.000 -0.811 0.000 0.818 462 A HN 0.357 nan 8.150 nan 0.000 0.443 463 L N 0.096 121.198 121.223 -0.202 0.000 2.017 463 L HA -0.126 4.214 4.340 0.001 0.000 0.208 463 L C 2.294 179.135 176.870 -0.049 0.000 1.073 463 L CA 2.640 57.412 54.840 -0.114 0.000 0.745 463 L CB -0.642 41.358 42.059 -0.097 0.000 0.894 463 L HN 0.470 nan 8.230 nan 0.000 0.432 464 K N -0.776 119.607 120.400 -0.029 0.000 2.063 464 K HA -0.212 4.108 4.320 0.001 0.000 0.208 464 K C 1.776 178.405 176.600 0.049 0.000 1.048 464 K CA 1.824 58.124 56.287 0.023 0.000 0.928 464 K CB -0.085 32.442 32.500 0.044 0.000 0.713 464 K HN 0.414 nan 8.250 nan 0.000 0.442 465 N N 0.325 119.050 118.700 0.042 0.000 2.300 465 N HA -0.053 4.687 4.740 0.001 0.000 0.179 465 N C 1.536 177.108 175.510 0.103 0.000 1.016 465 N CA 1.145 54.245 53.050 0.085 0.000 0.876 465 N CB -0.207 38.348 38.487 0.114 0.000 0.979 465 N HN 0.274 nan 8.380 nan 0.000 0.432 466 A N 0.194 123.031 122.820 0.028 0.000 1.968 466 A HA -0.062 4.259 4.320 0.001 0.000 0.217 466 A C 2.472 180.174 177.584 0.196 0.000 1.169 466 A CA 0.790 52.888 52.037 0.102 0.000 0.638 466 A CB -0.813 18.188 19.000 0.002 0.000 0.812 466 A HN 0.376 nan 8.150 nan 0.000 0.446 467 C N -0.641 118.733 119.300 0.123 0.000 2.440 467 C HA -0.053 4.407 4.460 0.001 0.000 0.278 467 C C 2.622 177.701 174.990 0.149 0.000 1.295 467 C CA 1.131 60.223 59.018 0.123 0.000 1.738 467 C CB -1.125 26.661 27.740 0.076 0.000 1.987 467 C HN 0.682 nan 8.230 nan 0.000 0.492 468 E N -0.201 120.091 120.200 0.153 0.000 2.072 468 E HA -0.184 4.166 4.350 0.001 0.000 0.191 468 E C 1.813 178.532 176.600 0.198 0.000 0.985 468 E CA 1.174 57.665 56.400 0.152 0.000 0.801 468 E CB -0.259 29.522 29.700 0.135 0.000 0.750 468 E HN 0.730 nan 8.360 nan 0.000 0.452 469 F N 1.247 121.262 119.950 0.108 0.000 2.186 469 F HA -0.185 4.343 4.527 0.001 0.000 0.299 469 F C 2.418 178.339 175.800 0.202 0.000 1.090 469 F CA 1.647 59.723 58.000 0.128 0.000 1.307 469 F CB -0.066 39.007 39.000 0.122 0.000 1.019 469 F HN -0.032 nan 8.300 nan 0.000 0.489 470 S N -0.807 115.157 115.700 0.440 0.000 2.478 470 S HA 0.262 4.732 4.470 0.001 0.000 0.222 470 S C 1.795 176.517 174.600 0.205 0.000 1.008 470 S CA 0.521 58.987 58.200 0.444 0.000 0.928 470 S CB -0.126 63.356 63.200 0.470 0.000 0.781 470 S HN 0.907 nan 8.310 nan 0.000 0.518 471 G N 0.348 109.234 108.800 0.144 0.000 2.157 471 G HA2 -0.218 3.743 3.960 0.001 0.000 0.248 471 G HA3 -0.218 3.743 3.960 0.001 0.000 0.248 471 G C -0.021 174.928 174.900 0.082 0.000 0.979 471 G CA 0.063 45.218 45.100 0.092 0.000 0.650 471 G HN 0.808 nan 8.290 nan 0.000 0.529 472 V N 2.935 122.903 119.914 0.090 0.000 2.383 472 V HA 0.540 4.660 4.120 0.001 0.000 0.275 472 V C -1.266 174.875 176.094 0.077 0.000 1.036 472 V CA -1.414 60.928 62.300 0.070 0.000 0.889 472 V CB 1.588 33.443 31.823 0.053 0.000 0.985 472 V HN 0.242 nan 8.190 nan 0.000 0.459 473 P HA 0.305 nan 4.420 nan 0.000 0.279 473 P C -0.602 176.738 177.300 0.067 0.000 1.252 473 P CA -0.397 62.744 63.100 0.069 0.000 0.811 473 P CB 1.399 33.143 31.700 0.074 0.000 1.035 474 V N 1.738 121.678 119.914 0.043 0.000 2.488 474 V HA 0.231 4.352 4.120 0.001 0.000 0.277 474 V C 1.523 177.623 176.094 0.011 0.000 1.046 474 V CA 0.574 62.887 62.300 0.021 0.000 0.986 474 V CB 0.147 31.969 31.823 -0.001 0.000 0.989 474 V HN 0.776 nan 8.190 nan 0.000 0.475 475 A N 4.282 127.101 122.820 -0.003 0.000 1.942 475 A HA 0.434 4.755 4.320 0.001 0.000 0.209 475 A C 0.990 178.511 177.584 -0.105 0.000 1.214 475 A CA 0.877 52.904 52.037 -0.016 0.000 0.686 475 A CB 0.192 19.235 19.000 0.072 0.000 0.871 475 A HN 0.992 nan 8.150 nan 0.000 0.460 476 S N -3.573 112.015 115.700 -0.187 0.000 2.661 476 S HA 0.734 5.204 4.470 0.001 0.000 0.268 476 S C -0.292 174.203 174.600 -0.176 0.000 1.162 476 S CA -0.024 58.058 58.200 -0.198 0.000 0.817 476 S CB 0.936 63.971 63.200 -0.275 0.000 1.141 476 S HN 1.849 nan 8.310 nan 0.000 0.477 477 G N 0.175 108.893 108.800 -0.137 0.000 2.317 477 G HA2 0.480 4.441 3.960 0.001 0.000 0.293 477 G HA3 0.480 4.441 3.960 0.001 0.000 0.293 477 G C -2.278 172.610 174.900 -0.019 0.000 1.287 477 G CA -0.556 44.496 45.100 -0.080 0.000 0.850 477 G HN 0.928 nan 8.290 nan 0.000 0.515 478 N N -0.879 117.848 118.700 0.044 0.000 2.405 478 N HA 0.606 5.347 4.740 0.001 0.000 0.274 478 N C -1.200 174.386 175.510 0.127 0.000 1.170 478 N CA -0.122 52.999 53.050 0.119 0.000 0.848 478 N CB 2.218 40.737 38.487 0.054 0.000 1.629 478 N HN 1.140 nan 8.380 nan 0.000 0.481 479 A N 1.333 124.231 122.820 0.130 0.000 2.343 479 A HA 0.545 4.865 4.320 0.001 0.000 0.308 479 A C -0.943 176.573 177.584 -0.113 0.000 1.092 479 A CA -0.563 51.455 52.037 -0.032 0.000 0.751 479 A CB 1.404 20.350 19.000 -0.090 0.000 1.203 479 A HN 0.401 nan 8.150 nan 0.000 0.452 480 S N 3.555 119.244 115.700 -0.019 0.000 2.566 480 S HA 0.683 5.153 4.470 0.001 0.000 0.324 480 S C -0.525 174.127 174.600 0.086 0.000 1.081 480 S CA -0.512 57.722 58.200 0.057 0.000 1.105 480 S CB -0.327 62.911 63.200 0.064 0.000 0.981 480 S HN 0.590 nan 8.310 nan 0.000 0.464 481 L N 3.685 124.982 121.223 0.124 0.000 2.298 481 L HA 0.619 4.959 4.340 0.001 0.000 0.268 481 L C -0.272 176.733 176.870 0.225 0.000 1.010 481 L CA -1.343 53.536 54.840 0.065 0.000 0.812 481 L CB 0.441 42.421 42.059 -0.132 0.000 1.331 481 L HN 0.821 nan 8.230 nan 0.000 0.450 482 Y N -0.548 119.796 120.300 0.072 0.000 4.032 482 Y HA -0.234 4.316 4.550 0.001 0.000 0.230 482 Y C 0.234 176.221 175.900 0.145 0.000 1.202 482 Y CA -0.060 58.071 58.100 0.052 0.000 1.878 482 Y CB -2.162 36.296 38.460 -0.004 0.000 1.586 482 Y HN 0.565 nan 8.280 nan 0.000 0.673 483 N N 2.066 120.869 118.700 0.173 0.000 2.605 483 N HA 0.228 4.968 4.740 0.001 0.000 0.258 483 N C 0.393 175.932 175.510 0.049 0.000 1.156 483 N CA 0.854 53.970 53.050 0.109 0.000 1.008 483 N CB 0.772 39.262 38.487 0.004 0.000 1.354 483 N HN 0.518 nan 8.380 nan 0.000 0.509 484 T N -1.544 113.073 114.554 0.105 0.000 2.841 484 T HA 0.467 4.818 4.350 0.001 0.000 0.296 484 T C -1.256 173.541 174.700 0.161 0.000 1.166 484 T CA -0.773 61.376 62.100 0.081 0.000 1.007 484 T CB 2.062 70.953 68.868 0.038 0.000 1.253 484 T HN 0.243 nan 8.240 nan 0.000 0.511 485 Y N 0.724 121.014 120.300 -0.017 0.000 2.331 485 Y HA 0.467 5.018 4.550 0.001 0.000 0.326 485 Y C 0.457 176.313 175.900 -0.073 0.000 1.020 485 Y CA 0.547 58.618 58.100 -0.048 0.000 1.136 485 Y CB 0.956 39.368 38.460 -0.080 0.000 1.157 485 Y HN 1.358 nan 8.280 nan 0.000 0.444 486 Q N 3.213 122.811 119.800 -0.337 0.000 2.435 486 Q HA -0.109 4.231 4.340 0.001 0.000 0.312 486 Q C 1.329 177.274 176.000 -0.091 0.000 1.333 486 Q CA 1.873 57.531 55.803 -0.242 0.000 0.883 486 Q CB -2.655 25.914 28.738 -0.281 0.000 1.170 486 Q HN 2.525 nan 8.270 nan 0.000 0.443 487 G N -1.381 107.385 108.800 -0.057 0.000 2.189 487 G HA2 -0.332 3.628 3.960 0.001 0.000 0.267 487 G HA3 -0.332 3.628 3.960 0.001 0.000 0.267 487 G C 0.267 175.154 174.900 -0.022 0.000 0.975 487 G CA 0.968 46.050 45.100 -0.030 0.000 0.644 487 G HN 1.480 nan 8.290 nan 0.000 0.537 488 K N 1.668 122.067 120.400 -0.003 0.000 2.285 488 K HA 0.443 4.763 4.320 0.001 0.000 0.286 488 K C -2.169 174.416 176.600 -0.026 0.000 1.072 488 K CA -1.913 54.370 56.287 -0.007 0.000 0.913 488 K CB 1.425 33.939 32.500 0.022 0.000 1.067 488 K HN 0.130 nan 8.250 nan 0.000 0.479 489 P HA 0.119 nan 4.420 nan 0.000 0.281 489 P C 0.040 177.249 177.300 -0.152 0.000 1.249 489 P CA -0.431 62.580 63.100 -0.149 0.000 0.810 489 P CB 0.957 32.504 31.700 -0.256 0.000 1.008 490 I N 2.958 123.430 120.570 -0.163 0.000 2.938 490 I HA 0.091 4.261 4.170 0.001 0.000 0.285 490 I C -1.855 174.132 176.117 -0.218 0.000 1.182 490 I CA -2.109 59.078 61.300 -0.189 0.000 1.388 490 I CB 0.473 38.418 38.000 -0.092 0.000 1.390 490 I HN 0.261 nan 8.210 nan 0.000 0.600 491 P HA 0.063 nan 4.420 nan 0.000 0.265 491 P C -2.483 174.788 177.300 -0.048 0.000 1.193 491 P CA -0.703 62.316 63.100 -0.135 0.000 0.765 491 P CB -0.197 31.439 31.700 -0.107 0.000 0.823 492 P HA 0.041 nan 4.420 nan 0.000 0.269 492 P C -0.757 176.563 177.300 0.033 0.000 1.263 492 P CA 0.398 63.539 63.100 0.069 0.000 0.813 492 P CB 0.007 31.794 31.700 0.144 0.000 0.868 493 T N 4.925 119.494 114.554 0.025 0.000 2.977 493 T HA 0.282 4.632 4.350 0.001 0.000 0.346 493 T C -0.007 174.648 174.700 -0.076 0.000 1.140 493 T CA -0.433 61.643 62.100 -0.040 0.000 1.040 493 T CB 0.277 69.103 68.868 -0.071 0.000 1.046 493 T HN 0.184 nan 8.240 nan 0.000 0.494 494 L N 5.270 126.441 121.223 -0.086 0.000 2.283 494 L HA 0.467 4.808 4.340 0.001 0.000 0.287 494 L C -0.396 176.421 176.870 -0.088 0.000 1.073 494 L CA -0.190 54.598 54.840 -0.087 0.000 0.822 494 L CB 0.425 42.421 42.059 -0.105 0.000 1.186 494 L HN 0.343 nan 8.230 nan 0.000 0.436 495 V N 6.352 126.227 119.914 -0.065 0.000 2.432 495 V HA 0.270 4.391 4.120 0.001 0.000 0.271 495 V C -0.030 176.048 176.094 -0.027 0.000 1.046 495 V CA -0.553 61.727 62.300 -0.033 0.000 0.945 495 V CB 1.363 33.195 31.823 0.014 0.000 0.992 495 V HN 0.494 nan 8.190 nan 0.000 0.471 496 V N 5.082 124.984 119.914 -0.020 0.000 2.370 496 V HA 0.745 4.866 4.120 0.001 0.000 0.279 496 V C 0.768 176.859 176.094 -0.004 0.000 1.029 496 V CA -0.078 62.219 62.300 -0.004 0.000 0.870 496 V CB 1.072 32.904 31.823 0.014 0.000 0.984 496 V HN 0.938 nan 8.190 nan 0.000 0.451 500 G N 2.767 111.532 108.800 -0.059 0.000 2.569 500 G HA2 0.544 4.505 3.960 0.001 0.000 0.300 500 G HA3 0.544 4.505 3.960 0.001 0.000 0.300 500 G C -1.849 173.056 174.900 0.009 0.000 1.269 500 G CA -0.594 44.486 45.100 -0.032 0.000 0.959 500 G HN 0.558 nan 8.290 nan 0.000 0.478 501 K N -0.296 120.106 120.400 0.004 0.000 2.221 501 K HA 0.706 5.026 4.320 0.001 0.000 0.258 501 K C -1.572 175.039 176.600 0.018 0.000 0.944 501 K CA -0.657 55.647 56.287 0.027 0.000 0.823 501 K CB 2.136 34.647 32.500 0.018 0.000 1.113 501 K HN 0.446 nan 8.250 nan 0.000 0.431 502 V N 3.291 123.221 119.914 0.028 0.000 3.077 502 V HA 0.270 4.391 4.120 0.001 0.000 0.299 502 V C -1.781 174.325 176.094 0.020 0.000 1.276 502 V CA -0.996 61.312 62.300 0.014 0.000 0.993 502 V CB 2.172 33.995 31.823 -0.000 0.000 1.076 502 V HN 0.981 nan 8.190 nan 0.000 0.434 503 N N 6.341 125.052 118.700 0.019 0.000 2.411 503 N HA 0.411 5.152 4.740 0.001 0.000 0.259 503 N C -1.932 173.588 175.510 0.016 0.000 1.103 503 N CA -1.832 51.231 53.050 0.021 0.000 0.954 503 N CB 1.916 40.417 38.487 0.023 0.000 1.085 503 N HN 0.388 nan 8.380 nan 0.000 0.485 504 P HA -0.088 nan 4.420 nan 0.000 0.222 504 P C 0.734 178.045 177.300 0.018 0.000 1.147 504 P CA 1.190 64.295 63.100 0.008 0.000 0.790 504 P CB 0.341 32.041 31.700 -0.000 0.000 0.780 505 Q N -0.413 119.399 119.800 0.019 0.000 2.364 505 Q HA -0.084 4.256 4.340 0.001 0.000 0.207 505 Q C 1.463 177.477 176.000 0.024 0.000 0.970 505 Q CA 1.014 56.830 55.803 0.022 0.000 0.888 505 Q CB -0.219 28.531 28.738 0.021 0.000 0.951 505 Q HN 0.359 nan 8.270 nan 0.000 0.469 506 K N -0.071 120.343 120.400 0.023 0.000 2.358 506 K HA 0.146 4.466 4.320 0.001 0.000 0.197 506 K C -0.375 176.243 176.600 0.029 0.000 1.025 506 K CA -0.103 56.198 56.287 0.024 0.000 1.104 506 K CB 1.046 33.557 32.500 0.019 0.000 0.855 506 K HN -0.062 nan 8.250 nan 0.000 0.531 507 V N 2.391 122.326 119.914 0.034 0.000 2.508 507 V HA 0.150 4.270 4.120 0.001 0.000 0.281 507 V C 0.378 176.514 176.094 0.069 0.000 1.041 507 V CA -0.734 61.595 62.300 0.049 0.000 1.016 507 V CB 0.876 32.729 31.823 0.050 0.000 0.984 507 V HN 0.205 nan 8.190 nan 0.000 0.478 508 A N 6.342 129.219 122.820 0.095 0.000 2.450 508 A HA 0.409 4.729 4.320 0.001 0.000 0.255 508 A C 0.313 177.989 177.584 0.154 0.000 1.096 508 A CA -0.299 51.816 52.037 0.131 0.000 0.778 508 A CB 0.086 19.201 19.000 0.192 0.000 1.031 508 A HN 0.837 nan 8.150 nan 0.000 0.494 509 K N 2.851 123.254 120.400 0.005 0.000 2.098 509 K HA 0.449 4.769 4.320 0.001 0.000 0.258 509 K C -2.609 173.636 176.600 -0.591 0.000 0.973 509 K CA -1.794 54.368 56.287 -0.208 0.000 0.898 509 K CB 0.900 33.352 32.500 -0.079 0.000 1.057 509 K HN 0.483 nan 8.250 nan 0.000 0.447 510 P HA 0.148 nan 4.420 nan 0.000 0.271 510 P C -1.187 175.751 177.300 -0.602 0.000 1.216 510 P CA -0.086 62.264 63.100 -1.250 0.000 0.771 510 P CB 0.706 31.577 31.700 -1.381 0.000 0.864 511 K N 3.333 123.502 120.400 -0.386 0.000 2.482 511 K HA 0.518 4.839 4.320 0.001 0.000 0.257 511 K C -2.690 173.828 176.600 -0.136 0.000 0.969 511 K CA -2.370 53.807 56.287 -0.184 0.000 0.842 511 K CB 1.257 33.697 32.500 -0.101 0.000 1.359 511 K HN 0.162 nan 8.250 nan 0.000 0.441 512 P HA -0.027 nan 4.420 nan 0.000 0.260 512 P C -1.085 176.200 177.300 -0.026 0.000 1.185 512 P CA 0.308 63.373 63.100 -0.059 0.000 0.763 512 P CB 0.513 32.190 31.700 -0.038 0.000 0.776 513 S N 1.917 117.610 115.700 -0.012 0.000 2.661 513 S HA 0.511 4.982 4.470 0.001 0.000 0.268 513 S C -1.146 173.445 174.600 -0.014 0.000 1.162 513 S CA -1.120 57.099 58.200 0.031 0.000 0.817 513 S CB 1.352 64.618 63.200 0.111 0.000 1.141 513 S HN 0.139 nan 8.310 nan 0.000 0.477 514 K N 0.390 120.778 120.400 -0.019 0.000 2.098 514 K HA 0.732 5.052 4.320 0.001 0.000 0.261 514 K C -1.112 175.221 176.600 -0.446 0.000 0.987 514 K CA -0.818 55.317 56.287 -0.253 0.000 0.916 514 K CB 1.585 33.918 32.500 -0.278 0.000 1.039 514 K HN 0.458 nan 8.250 nan 0.000 0.455 515 V N 2.940 122.392 119.914 -0.769 0.000 2.513 515 V HA 0.494 4.614 4.120 0.001 0.000 0.299 515 V C -0.917 174.574 176.094 -1.005 0.000 1.035 515 V CA -0.811 60.977 62.300 -0.853 0.000 0.889 515 V CB 0.774 32.147 31.823 -0.750 0.000 0.988 515 V HN 0.539 nan 8.190 nan 0.000 0.440 516 F N 1.621 121.362 119.950 -0.349 0.000 2.556 516 F HA 0.745 5.272 4.527 0.001 0.000 0.314 516 F C 0.340 176.013 175.800 -0.211 0.000 1.106 516 F CA -0.796 57.070 58.000 -0.223 0.000 0.911 516 F CB 1.937 40.835 39.000 -0.170 0.000 1.190 516 F HN 0.541 nan 8.300 nan 0.000 0.448 517 A N 2.740 125.555 122.820 -0.008 0.000 2.302 517 A HA 0.665 4.986 4.320 0.001 0.000 0.295 517 A C -0.867 176.691 177.584 -0.044 0.000 1.235 517 A CA -0.477 51.535 52.037 -0.041 0.000 0.876 517 A CB 0.131 19.094 19.000 -0.061 0.000 1.133 517 A HN 0.558 nan 8.150 nan 0.000 0.533 518 V N 3.316 123.196 119.914 -0.056 0.000 2.384 518 V HA 0.773 4.893 4.120 0.001 0.000 0.287 518 V C 0.828 176.826 176.094 -0.159 0.000 1.020 518 V CA 0.924 63.155 62.300 -0.115 0.000 0.850 518 V CB 0.347 32.119 31.823 -0.085 0.000 0.987 518 V HN 1.783 nan 8.190 nan 0.000 0.436 519 G N 4.573 113.163 108.800 -0.351 0.000 2.295 519 G HA2 -0.061 3.899 3.960 0.001 0.000 0.195 519 G HA3 -0.061 3.899 3.960 0.001 0.000 0.195 519 G C -1.433 173.128 174.900 -0.564 0.000 1.269 519 G CA -0.573 44.204 45.100 -0.538 0.000 1.170 519 G HN 0.541 nan 8.290 nan 0.000 0.511 520 W N 0.951 122.281 121.300 0.049 0.000 2.761 520 W HA 0.392 5.053 4.660 0.001 0.000 0.340 520 W C 0.678 177.243 176.519 0.076 0.000 1.072 520 W CA -0.095 57.276 57.345 0.043 0.000 1.215 520 W CB 1.867 31.341 29.460 0.024 0.000 1.420 520 W HN 0.758 nan 8.180 nan 0.000 0.519 521 N N 0.128 118.992 118.700 0.273 0.000 2.449 521 N HA -0.111 4.629 4.740 0.001 0.000 0.191 521 N C -0.328 175.335 175.510 0.256 0.000 1.161 521 N CA 0.635 53.799 53.050 0.191 0.000 0.863 521 N CB -0.087 38.461 38.487 0.103 0.000 0.980 521 N HN 0.308 nan 8.380 nan 0.000 0.458 522 D N -1.451 119.123 120.400 0.289 0.000 2.744 522 D HA 0.336 4.976 4.640 0.001 0.000 0.304 522 D C -1.431 175.029 176.300 0.267 0.000 1.179 522 D CA -0.828 53.326 54.000 0.257 0.000 1.024 522 D CB 0.284 41.179 40.800 0.158 0.000 1.453 522 D HN -0.044 nan 8.370 nan 0.000 0.529 523 F N -0.295 119.685 119.950 0.050 0.000 2.507 523 F HA 0.508 5.036 4.527 0.001 0.000 0.325 523 F C -0.968 174.772 175.800 -0.100 0.000 1.116 523 F CA -0.377 57.622 58.000 -0.001 0.000 0.930 523 F CB 1.780 40.798 39.000 0.031 0.000 1.146 523 F HN 0.228 nan 8.300 nan 0.000 0.447 524 E N 6.152 125.910 120.200 -0.738 0.000 2.274 524 E HA 0.150 4.501 4.350 0.001 0.000 0.269 524 E C -0.029 176.081 176.600 -0.818 0.000 0.891 524 E CA -0.615 55.444 56.400 -0.570 0.000 0.784 524 E CB 2.419 31.859 29.700 -0.434 0.000 1.225 524 E HN 0.721 nan 8.360 nan 0.000 0.412 525 L N 2.921 123.850 121.223 -0.491 0.000 2.081 525 L HA -0.213 4.127 4.340 0.001 0.000 0.212 525 L C 1.402 178.135 176.870 -0.229 0.000 1.080 525 L CA 2.120 56.774 54.840 -0.309 0.000 0.754 525 L CB -0.038 42.068 42.059 0.078 0.000 0.893 525 L HN 0.503 nan 8.230 nan 0.000 0.433 526 E N -0.424 119.665 120.200 -0.185 0.000 2.516 526 E HA -0.122 4.229 4.350 0.001 0.000 0.199 526 E C 1.711 178.193 176.600 -0.197 0.000 1.069 526 E CA 0.779 57.113 56.400 -0.111 0.000 0.876 526 E CB -0.222 29.417 29.700 -0.101 0.000 0.843 526 E HN 0.655 nan 8.360 nan 0.000 0.530 527 R N -0.550 119.738 120.500 -0.354 0.000 2.476 527 R HA 0.233 4.573 4.340 0.001 0.000 0.276 527 R C 1.316 177.459 176.300 -0.262 0.000 0.941 527 R CA 0.045 55.918 56.100 -0.378 0.000 1.088 527 R CB 0.097 29.920 30.300 -0.795 0.000 1.216 527 R HN -0.053 nan 8.270 nan 0.000 0.533 528 E N 2.598 122.596 120.200 -0.337 0.000 2.070 528 E HA -0.180 4.171 4.350 0.001 0.000 0.197 528 E C 1.348 177.567 176.600 -0.634 0.000 1.004 528 E CA 1.921 58.074 56.400 -0.411 0.000 0.805 528 E CB 0.065 29.502 29.700 -0.437 0.000 0.744 528 E HN 0.358 nan 8.360 nan 0.000 0.451 529 K N -0.075 120.030 120.400 -0.491 0.000 2.148 529 K HA -0.117 4.203 4.320 0.001 0.000 0.204 529 K C 2.035 178.595 176.600 -0.067 0.000 1.050 529 K CA 1.113 57.160 56.287 -0.400 0.000 0.942 529 K CB -0.024 32.303 32.500 -0.287 0.000 0.724 529 K HN 0.115 nan 8.250 nan 0.000 0.446 530 E N 0.984 121.176 120.200 -0.013 0.000 2.150 530 E HA -0.162 4.188 4.350 0.001 0.000 0.193 530 E C 1.957 178.663 176.600 0.176 0.000 0.985 530 E CA 0.681 57.148 56.400 0.111 0.000 0.814 530 E CB -0.123 29.682 29.700 0.175 0.000 0.752 530 E HN 0.152 nan 8.360 nan 0.000 0.466 531 L N -0.044 121.300 121.223 0.201 0.000 2.027 531 L HA -0.119 4.222 4.340 0.001 0.000 0.206 531 L C 1.947 179.007 176.870 0.318 0.000 1.074 531 L CA 1.509 56.495 54.840 0.245 0.000 0.745 531 L CB -0.648 41.590 42.059 0.299 0.000 0.898 531 L HN 0.094 nan 8.230 nan 0.000 0.433 532 W N 0.365 121.740 121.300 0.125 0.000 2.321 532 W HA -0.179 4.481 4.660 0.001 0.000 0.306 532 W C 2.977 179.531 176.519 0.058 0.000 1.217 532 W CA 1.575 58.974 57.345 0.090 0.000 1.257 532 W CB -1.110 28.409 29.460 0.098 0.000 1.145 532 W HN 0.232 nan 8.180 nan 0.000 0.509 533 R N 0.274 120.944 120.500 0.285 0.000 2.096 533 R HA -0.087 4.254 4.340 0.001 0.000 0.235 533 R C 2.309 178.675 176.300 0.110 0.000 1.127 533 R CA 1.751 57.949 56.100 0.163 0.000 0.968 533 R CB -0.497 29.875 30.300 0.120 0.000 0.861 533 R HN 0.042 nan 8.270 nan 0.000 0.440 534 A N 0.906 123.790 122.820 0.106 0.000 1.877 534 A HA -0.139 4.182 4.320 0.001 0.000 0.216 534 A C 2.102 179.716 177.584 0.050 0.000 1.186 534 A CA 1.319 53.387 52.037 0.052 0.000 0.620 534 A CB -0.464 18.549 19.000 0.022 0.000 0.822 534 A HN 0.315 nan 8.150 nan 0.000 0.443 535 I N -0.964 119.661 120.570 0.091 0.000 2.179 535 I HA -0.278 3.893 4.170 0.001 0.000 0.242 535 I C 2.795 178.936 176.117 0.040 0.000 1.088 535 I CA 1.421 62.760 61.300 0.064 0.000 1.357 535 I CB -0.338 37.715 38.000 0.090 0.000 1.051 535 I HN 0.278 nan 8.210 nan 0.000 0.409 536 R N 0.693 121.227 120.500 0.057 0.000 2.083 536 R HA -0.239 4.102 4.340 0.001 0.000 0.237 536 R C 2.395 178.710 176.300 0.024 0.000 1.137 536 R CA 1.782 57.904 56.100 0.036 0.000 0.951 536 R CB -0.329 30.003 30.300 0.053 0.000 0.851 536 R HN 0.314 nan 8.270 nan 0.000 0.434 537 K N 0.910 121.326 120.400 0.027 0.000 2.026 537 K HA -0.148 4.173 4.320 0.001 0.000 0.208 537 K C 2.093 178.694 176.600 0.001 0.000 1.048 537 K CA 1.326 57.620 56.287 0.012 0.000 0.929 537 K CB -0.088 32.417 32.500 0.008 0.000 0.713 537 K HN 0.123 nan 8.250 nan 0.000 0.439 538 L N 0.439 121.661 121.223 -0.003 0.000 2.093 538 L HA -0.131 4.209 4.340 0.001 0.000 0.208 538 L C 2.697 179.568 176.870 0.002 0.000 1.085 538 L CA 1.036 55.870 54.840 -0.010 0.000 0.755 538 L CB -0.454 41.594 42.059 -0.019 0.000 0.904 538 L HN 0.273 nan 8.230 nan 0.000 0.435 539 S N 0.111 115.813 115.700 0.003 0.000 2.370 539 S HA -0.254 4.217 4.470 0.001 0.000 0.226 539 S C 1.936 176.541 174.600 0.009 0.000 1.033 539 S CA 1.807 60.009 58.200 0.003 0.000 1.011 539 S CB -0.201 62.994 63.200 -0.007 0.000 0.852 539 S HN 0.631 nan 8.310 nan 0.000 0.457 540 E N 0.488 120.693 120.200 0.008 0.000 2.204 540 E HA -0.187 4.164 4.350 0.001 0.000 0.195 540 E C 1.221 177.827 176.600 0.010 0.000 0.990 540 E CA 1.444 57.849 56.400 0.009 0.000 0.821 540 E CB -0.371 29.334 29.700 0.008 0.000 0.750 540 E HN 0.673 nan 8.360 nan 0.000 0.477 541 E N -0.032 120.172 120.200 0.008 0.000 2.476 541 E HA 0.147 4.498 4.350 0.001 0.000 0.191 541 E C 0.765 177.376 176.600 0.018 0.000 1.064 541 E CA 0.234 56.638 56.400 0.007 0.000 0.866 541 E CB 0.556 30.254 29.700 -0.003 0.000 0.952 541 E HN 0.511 nan 8.360 nan 0.000 0.492 542 G N 1.207 110.022 108.800 0.026 0.000 2.141 542 G HA2 -0.307 3.653 3.960 0.001 0.000 0.242 542 G HA3 -0.307 3.653 3.960 0.001 0.000 0.242 542 G C 0.382 175.321 174.900 0.065 0.000 0.982 542 G CA -0.062 45.062 45.100 0.040 0.000 0.662 542 G HN 0.483 nan 8.290 nan 0.000 0.527 543 A N -0.285 122.574 122.820 0.064 0.000 2.407 543 A HA 0.631 4.951 4.320 0.001 0.000 0.248 543 A C -0.060 177.612 177.584 0.147 0.000 1.082 543 A CA 0.005 52.107 52.037 0.107 0.000 0.785 543 A CB 0.410 19.454 19.000 0.074 0.000 1.020 543 A HN 1.361 nan 8.150 nan 0.000 0.489 544 F N 2.304 122.286 119.950 0.054 0.000 2.411 544 F HA 0.644 5.171 4.527 0.001 0.000 0.350 544 F C -0.376 175.494 175.800 0.117 0.000 1.114 544 F CA -0.747 57.248 58.000 -0.009 0.000 1.135 544 F CB 0.643 39.554 39.000 -0.148 0.000 1.120 544 F HN 0.384 nan 8.300 nan 0.000 0.495 545 I N 7.604 127.794 120.570 -0.633 0.000 2.478 545 I HA 0.290 4.460 4.170 0.001 0.000 0.287 545 I C -1.132 174.696 176.117 -0.483 0.000 1.042 545 I CA -0.645 60.467 61.300 -0.313 0.000 1.067 545 I CB 1.857 39.772 38.000 -0.142 0.000 1.233 545 I HN 0.417 nan 8.210 nan 0.000 0.431 546 L N 4.764 125.862 121.223 -0.209 0.000 2.295 546 L HA 0.496 4.836 4.340 0.001 0.000 0.285 546 L C 0.149 177.005 176.870 -0.023 0.000 1.035 546 L CA -0.334 54.397 54.840 -0.182 0.000 0.806 546 L CB 1.736 43.690 42.059 -0.174 0.000 1.214 546 L HN 0.546 nan 8.230 nan 0.000 0.426 547 S N 2.272 117.974 115.700 0.005 0.000 2.718 547 S HA 0.570 5.040 4.470 0.001 0.000 0.294 547 S C -0.777 173.893 174.600 0.116 0.000 1.157 547 S CA -0.403 57.845 58.200 0.080 0.000 1.121 547 S CB 0.949 64.177 63.200 0.045 0.000 1.015 547 S HN 0.667 nan 8.310 nan 0.000 0.479 548 S N 3.286 119.111 115.700 0.208 0.000 2.541 548 S HA 0.498 4.968 4.470 0.001 0.000 0.271 548 S C 0.974 175.753 174.600 0.298 0.000 1.133 548 S CA -0.435 57.907 58.200 0.237 0.000 0.876 548 S CB 1.418 64.848 63.200 0.383 0.000 1.105 548 S HN 0.516 nan 8.310 nan 0.000 0.470 549 S N 2.530 118.367 115.700 0.227 0.000 2.359 549 S HA -0.142 4.328 4.470 0.001 0.000 0.224 549 S C 1.496 176.326 174.600 0.384 0.000 1.035 549 S CA 1.617 59.957 58.200 0.233 0.000 1.018 549 S CB -0.433 62.846 63.200 0.131 0.000 0.876 549 S HN 0.796 nan 8.310 nan 0.000 0.448 550 Q N 0.221 120.179 119.800 0.263 0.000 2.444 550 Q HA 0.355 4.696 4.340 0.001 0.000 0.206 550 Q C 0.961 177.083 176.000 0.204 0.000 0.948 550 Q CA -0.001 55.928 55.803 0.210 0.000 0.946 550 Q CB -0.156 28.675 28.738 0.155 0.000 1.027 550 Q HN 0.402 nan 8.270 nan 0.000 0.513 551 L N -2.451 118.922 121.223 0.249 0.000 3.461 551 L HA -0.337 4.003 4.340 0.001 0.000 0.094 551 L C -0.113 176.930 176.870 0.289 0.000 4.424 551 L CA 1.257 56.214 54.840 0.195 0.000 0.523 551 L CB -1.049 41.048 42.059 0.062 0.000 3.542 551 L HN 0.308 nan 8.230 nan 0.000 0.792 552 L N 0.328 121.734 121.223 0.304 0.000 2.386 552 L HA 0.670 5.010 4.340 0.001 0.000 0.271 552 L C 0.008 177.087 176.870 0.348 0.000 0.993 552 L CA 0.468 55.589 54.840 0.468 0.000 0.819 552 L CB 1.913 44.184 42.059 0.353 0.000 1.294 552 L HN 0.307 nan 8.230 nan 0.000 0.414 553 T N 0.431 115.168 114.554 0.305 0.000 2.940 553 T HA 0.614 4.965 4.350 0.001 0.000 0.288 553 T C 1.133 175.866 174.700 0.056 0.000 1.045 553 T CA -0.029 62.081 62.100 0.017 0.000 1.018 553 T CB 1.442 70.162 68.868 -0.248 0.000 1.151 553 T HN 0.705 nan 8.240 nan 0.000 0.529 554 R N 0.455 120.972 120.500 0.029 0.000 2.091 554 R HA -0.072 4.269 4.340 0.001 0.000 0.238 554 R C 2.480 178.790 176.300 0.016 0.000 1.136 554 R CA 2.780 58.906 56.100 0.043 0.000 0.959 554 R CB -2.284 28.031 30.300 0.025 0.000 0.856 554 R HN 0.854 nan 8.270 nan 0.000 0.437 555 T N 0.002 114.517 114.554 -0.066 0.000 2.699 555 T HA -0.201 4.149 4.350 0.001 0.000 0.268 555 T C 1.770 176.434 174.700 -0.061 0.000 1.036 555 T CA 1.810 63.850 62.100 -0.100 0.000 1.147 555 T CB -0.438 68.338 68.868 -0.154 0.000 0.862 555 T HN 0.847 nan 8.240 nan 0.000 0.446 556 H N -0.226 118.864 119.070 0.033 0.000 2.293 556 H HA -0.033 4.524 4.556 0.001 0.000 0.300 556 H C 2.441 177.799 175.328 0.051 0.000 1.082 556 H CA 1.106 57.171 56.048 0.029 0.000 1.308 556 H CB -0.258 29.616 29.762 0.186 0.000 1.375 556 H HN 0.097 nan 8.280 nan 0.000 0.495 557 V N 0.740 120.856 119.914 0.336 0.000 2.287 557 V HA -0.276 3.845 4.120 0.001 0.000 0.248 557 V C 2.296 178.536 176.094 0.243 0.000 1.053 557 V CA 2.226 64.742 62.300 0.359 0.000 1.027 557 V CB -0.397 31.578 31.823 0.253 0.000 0.646 557 V HN 0.414 nan 8.190 nan 0.000 0.447 558 E N -0.784 119.487 120.200 0.119 0.000 2.150 558 E HA -0.175 4.175 4.350 0.001 0.000 0.193 558 E C 2.275 178.889 176.600 0.023 0.000 0.985 558 E CA 1.377 57.814 56.400 0.061 0.000 0.814 558 E CB -0.649 29.059 29.700 0.013 0.000 0.752 558 E HN 0.868 nan 8.360 nan 0.000 0.466 559 T N 0.496 115.013 114.554 -0.063 0.000 2.857 559 T HA -0.038 4.313 4.350 0.001 0.000 0.266 559 T C 1.534 176.266 174.700 0.053 0.000 1.048 559 T CA 0.964 62.934 62.100 -0.217 0.000 1.139 559 T CB -0.382 68.046 68.868 -0.734 0.000 0.874 559 T HN 0.252 nan 8.240 nan 0.000 0.455 560 F N 1.901 122.019 119.950 0.280 0.000 2.202 560 F HA 0.008 4.535 4.527 0.001 0.000 0.301 560 F C 2.427 178.352 175.800 0.209 0.000 1.082 560 F CA 0.610 58.780 58.000 0.285 0.000 1.313 560 F CB -0.522 38.584 39.000 0.176 0.000 1.024 560 F HN 0.042 nan 8.300 nan 0.000 0.495 561 R N -0.098 120.587 120.500 0.307 0.000 2.148 561 R HA -0.111 4.229 4.340 0.001 0.000 0.227 561 R C 1.987 178.359 176.300 0.118 0.000 1.103 561 R CA 0.872 57.079 56.100 0.179 0.000 0.983 561 R CB -0.316 30.053 30.300 0.116 0.000 0.874 561 R HN 0.218 nan 8.270 nan 0.000 0.451 562 E N 0.008 120.262 120.200 0.091 0.000 2.153 562 E HA -0.170 4.181 4.350 0.001 0.000 0.194 562 E C 1.043 177.586 176.600 -0.095 0.000 0.988 562 E CA 1.252 57.626 56.400 -0.044 0.000 0.811 562 E CB 0.017 29.632 29.700 -0.142 0.000 0.746 562 E HN 0.470 nan 8.360 nan 0.000 0.466 563 Y N -0.367 119.974 120.300 0.068 0.000 2.466 563 Y HA 0.193 4.744 4.550 0.001 0.000 0.272 563 Y C 1.475 177.404 175.900 0.047 0.000 1.169 563 Y CA 0.434 58.571 58.100 0.062 0.000 1.285 563 Y CB 0.606 39.125 38.460 0.098 0.000 1.078 563 Y HN 0.085 nan 8.280 nan 0.000 0.523 564 G N 1.015 109.917 108.800 0.170 0.000 2.198 564 G HA2 -0.286 3.674 3.960 0.001 0.000 0.260 564 G HA3 -0.286 3.674 3.960 0.001 0.000 0.260 564 G C -0.321 174.640 174.900 0.101 0.000 1.025 564 G CA 0.088 45.252 45.100 0.106 0.000 0.769 564 G HN 0.286 nan 8.290 nan 0.000 0.507 565 L N -0.725 120.582 121.223 0.141 0.000 2.334 565 L HA 0.847 5.187 4.340 0.001 0.000 0.276 565 L C 0.479 177.372 176.870 0.038 0.000 1.014 565 L CA -0.517 54.355 54.840 0.052 0.000 0.815 565 L CB 1.878 43.925 42.059 -0.019 0.000 1.268 565 L HN 0.244 nan 8.230 nan 0.000 0.428 566 K N 3.124 123.507 120.400 -0.029 0.000 2.292 566 K HA 0.672 4.992 4.320 0.001 0.000 0.257 566 K C -1.079 175.472 176.600 -0.081 0.000 0.940 566 K CA -0.412 55.865 56.287 -0.015 0.000 0.811 566 K CB 2.027 34.529 32.500 0.002 0.000 1.120 566 K HN 0.654 nan 8.250 nan 0.000 0.428 567 I N 1.761 122.300 120.570 -0.051 0.000 2.336 567 I HA 0.568 4.739 4.170 0.001 0.000 0.292 567 I C 0.180 176.295 176.117 -0.004 0.000 0.991 567 I CA -0.218 61.049 61.300 -0.055 0.000 1.227 567 I CB 1.527 39.524 38.000 -0.004 0.000 1.366 567 I HN 0.837 nan 8.210 nan 0.000 0.466 568 E N 7.564 127.747 120.200 -0.029 0.000 2.235 568 E HA 0.585 4.936 4.350 0.001 0.000 0.252 568 E C -1.305 175.270 176.600 -0.043 0.000 0.886 568 E CA -0.489 55.897 56.400 -0.022 0.000 0.767 568 E CB 1.495 31.178 29.700 -0.028 0.000 1.205 568 E HN 0.597 nan 8.360 nan 0.000 0.421 569 V N -1.776 118.123 119.914 -0.024 0.000 3.102 569 V HA 0.823 4.944 4.120 0.001 0.000 0.312 569 V C -0.276 175.800 176.094 -0.030 0.000 1.135 569 V CA -1.344 60.927 62.300 -0.048 0.000 1.022 569 V CB 2.214 34.008 31.823 -0.048 0.000 1.056 569 V HN 0.543 nan 8.190 nan 0.000 0.436 570 K N 2.389 122.761 120.400 -0.046 0.000 2.464 570 K HA 0.601 4.921 4.320 0.001 0.000 0.252 570 K C -1.031 175.551 176.600 -0.029 0.000 1.000 570 K CA -0.569 55.701 56.287 -0.029 0.000 0.951 570 K CB 0.910 33.389 32.500 -0.034 0.000 1.183 570 K HN 0.817 nan 8.250 nan 0.000 0.445 571 L N 5.787 127.004 121.223 -0.009 0.000 2.410 571 L HA 0.263 4.603 4.340 0.001 0.000 0.273 571 L C -1.743 175.121 176.870 -0.011 0.000 1.152 571 L CA -1.908 52.927 54.840 -0.007 0.000 0.855 571 L CB 0.355 42.425 42.059 0.019 0.000 1.129 571 L HN 0.531 nan 8.230 nan 0.000 0.463 572 P HA 0.083 nan 4.420 nan 0.000 0.271 572 P C -0.616 176.679 177.300 -0.009 0.000 1.218 572 P CA -0.409 62.680 63.100 -0.018 0.000 0.780 572 P CB 0.476 32.157 31.700 -0.031 0.000 0.901 573 E N 0.664 120.869 120.200 0.008 0.000 2.366 573 E HA 0.195 4.546 4.350 0.001 0.000 0.266 573 E C -0.701 175.915 176.600 0.026 0.000 1.015 573 E CA -0.006 56.408 56.400 0.023 0.000 0.906 573 E CB 0.662 30.381 29.700 0.032 0.000 0.979 573 E HN 0.114 nan 8.360 nan 0.000 0.443 574 V N 4.959 124.893 119.914 0.033 0.000 2.656 574 V HA 0.253 4.373 4.120 0.001 0.000 0.307 574 V C 0.246 176.415 176.094 0.125 0.000 1.051 574 V CA -0.775 61.553 62.300 0.047 0.000 0.893 574 V CB 1.946 33.717 31.823 -0.086 0.000 0.999 574 V HN 0.634 nan 8.190 nan 0.000 0.426 575 R N 4.380 124.985 120.500 0.175 0.000 2.801 575 R HA 0.183 4.524 4.340 0.001 0.000 0.273 575 R C -1.612 174.807 176.300 0.198 0.000 1.080 575 R CA -1.221 54.987 56.100 0.181 0.000 1.197 575 R CB 0.303 30.718 30.300 0.191 0.000 1.109 575 R HN 0.461 nan 8.270 nan 0.000 0.535 576 P HA -0.078 nan 4.420 nan 0.000 0.216 576 P C -0.415 176.861 177.300 -0.040 0.000 1.150 576 P CA 1.289 64.425 63.100 0.060 0.000 0.837 576 P CB 0.310 32.037 31.700 0.046 0.000 0.786 577 A N -0.003 122.813 122.820 -0.007 0.000 2.267 577 A HA 0.533 4.853 4.320 0.001 0.000 0.315 577 A C -0.442 177.240 177.584 0.163 0.000 1.297 577 A CA -0.380 51.608 52.037 -0.081 0.000 0.865 577 A CB -0.311 18.570 19.000 -0.198 0.000 1.165 577 A HN 0.277 nan 8.150 nan 0.000 0.513 578 H N -0.088 119.103 119.070 0.202 0.000 2.864 578 H HA 0.837 5.393 4.556 0.001 0.000 0.354 578 H C -0.397 175.142 175.328 0.352 0.000 1.208 578 H CA -0.819 55.392 56.048 0.270 0.000 1.191 578 H CB 0.783 30.661 29.762 0.194 0.000 1.889 578 H HN 0.508 nan 8.280 nan 0.000 0.574 582 L N 1.962 123.216 121.223 0.051 0.000 2.287 582 L HA 0.777 5.117 4.340 0.001 0.000 0.287 582 L C -0.589 176.298 176.870 0.028 0.000 1.022 582 L CA -0.874 53.961 54.840 -0.009 0.000 0.814 582 L CB 1.660 43.737 42.059 0.030 0.000 1.217 582 L HN 0.594 nan 8.230 nan 0.000 0.420 583 V N 3.743 123.618 119.914 -0.064 0.000 2.417 583 V HA 0.417 4.538 4.120 0.001 0.000 0.291 583 V C -0.580 175.528 176.094 0.024 0.000 1.024 583 V CA -0.368 61.975 62.300 0.071 0.000 0.861 583 V CB 1.605 33.463 31.823 0.058 0.000 0.985 583 V HN 0.361 nan 8.190 nan 0.000 0.436 584 F N 3.564 123.615 119.950 0.169 0.000 2.375 584 F HA 0.711 5.239 4.527 0.001 0.000 0.361 584 F C 0.532 176.431 175.800 0.165 0.000 1.117 584 F CA -0.258 57.846 58.000 0.173 0.000 1.037 584 F CB 1.852 40.969 39.000 0.195 0.000 1.192 584 F HN 0.559 nan 8.300 nan 0.000 0.452 585 S N 0.030 115.920 115.700 0.317 0.000 2.625 585 S HA 0.349 4.819 4.470 0.001 0.000 0.271 585 S C 0.133 174.862 174.600 0.214 0.000 1.161 585 S CA -0.756 57.576 58.200 0.221 0.000 0.820 585 S CB 1.945 65.222 63.200 0.130 0.000 1.137 585 S HN 0.217 nan 8.310 nan 0.000 0.470 586 E N 0.285 120.561 120.200 0.127 0.000 2.106 586 E HA 0.096 4.446 4.350 0.001 0.000 0.192 586 E C 0.509 177.187 176.600 0.129 0.000 0.984 586 E CA 1.178 57.638 56.400 0.100 0.000 0.806 586 E CB -0.144 29.588 29.700 0.054 0.000 0.750 586 E HN 0.615 nan 8.360 nan 0.000 0.458 587 R N -1.009 119.548 120.500 0.095 0.000 2.912 587 R HA 0.452 4.792 4.340 0.001 0.000 0.262 587 R C -0.354 175.843 176.300 -0.172 0.000 1.057 587 R CA -0.618 55.509 56.100 0.044 0.000 0.981 587 R CB 1.280 31.575 30.300 -0.009 0.000 1.201 587 R HN 0.012 nan 8.270 nan 0.000 0.484 588 T N 3.755 118.142 114.554 -0.277 0.000 2.829 588 T HA 0.084 4.434 4.350 0.001 0.000 0.293 588 T C -2.208 172.150 174.700 -0.570 0.000 0.970 588 T CA -0.721 60.940 62.100 -0.732 0.000 1.168 588 T CB 0.148 68.821 68.868 -0.325 0.000 0.911 588 T HN 0.239 nan 8.240 nan 0.000 0.535 589 P HA 0.075 nan 4.420 nan 0.000 0.261 589 P C -0.364 176.778 177.300 -0.263 0.000 1.173 589 P CA -0.173 62.694 63.100 -0.389 0.000 0.760 589 P CB 0.181 31.655 31.700 -0.376 0.000 0.783 590 V N 3.625 123.437 119.914 -0.170 0.000 2.293 590 V HA 0.640 4.761 4.120 0.001 0.000 0.275 590 V C -0.242 175.798 176.094 -0.090 0.000 1.021 590 V CA -0.704 61.525 62.300 -0.119 0.000 0.815 590 V CB 0.890 32.660 31.823 -0.088 0.000 1.025 590 V HN 0.358 nan 8.190 nan 0.000 0.448 591 V N 1.143 121.002 119.914 -0.092 0.000 3.159 591 V HA 0.659 4.779 4.120 0.001 0.000 0.308 591 V C -0.170 175.888 176.094 -0.061 0.000 1.190 591 V CA -0.605 61.654 62.300 -0.069 0.000 1.037 591 V CB 2.279 34.054 31.823 -0.081 0.000 1.060 591 V HN 0.552 nan 8.190 nan 0.000 0.437 592 D N 1.023 121.405 120.400 -0.030 0.000 2.519 592 D HA 0.372 5.012 4.640 0.001 0.000 0.238 592 D C -0.146 176.150 176.300 -0.007 0.000 1.192 592 D CA 0.618 54.615 54.000 -0.005 0.000 0.835 592 D CB 0.833 41.650 40.800 0.028 0.000 0.975 592 D HN 0.374 nan 8.370 nan 0.000 0.490 593 V N 0.811 120.660 119.914 -0.108 0.000 3.007 593 V HA 0.319 4.440 4.120 0.001 0.000 0.311 593 V C -2.264 173.615 176.094 -0.358 0.000 1.120 593 V CA -2.021 60.097 62.300 -0.303 0.000 0.980 593 V CB 2.875 34.491 31.823 -0.346 0.000 1.033 593 V HN -0.104 nan 8.190 nan 0.000 0.429 594 P HA 0.313 nan 4.420 nan 0.000 0.269 594 P C -1.329 175.800 177.300 -0.286 0.000 1.209 594 P CA -0.022 62.861 63.100 -0.362 0.000 0.776 594 P CB 0.563 32.009 31.700 -0.423 0.000 0.876 595 V N 2.794 122.607 119.914 -0.169 0.000 2.623 595 V HA 0.452 4.573 4.120 0.001 0.000 0.304 595 V C -0.240 175.836 176.094 -0.029 0.000 1.054 595 V CA -0.505 61.731 62.300 -0.107 0.000 0.882 595 V CB 1.918 33.659 31.823 -0.136 0.000 1.002 595 V HN 0.458 nan 8.190 nan 0.000 0.424 596 K N 3.224 123.639 120.400 0.025 0.000 2.471 596 K HA 0.447 4.768 4.320 0.001 0.000 0.252 596 K C -0.587 176.072 176.600 0.097 0.000 0.938 596 K CA -0.565 55.749 56.287 0.045 0.000 0.796 596 K CB 2.206 34.700 32.500 -0.011 0.000 1.161 596 K HN 0.850 nan 8.250 nan 0.000 0.425 597 E N 4.746 125.009 120.200 0.106 0.000 2.324 597 E HA 0.070 4.421 4.350 0.001 0.000 0.271 597 E C 0.597 177.081 176.600 -0.194 0.000 1.028 597 E CA -0.003 56.325 56.400 -0.120 0.000 0.890 597 E CB 0.481 30.138 29.700 -0.071 0.000 1.004 597 E HN 0.666 nan 8.360 nan 0.000 0.431 598 I N 0.983 121.369 120.570 -0.307 0.000 4.456 598 I HA 0.522 4.692 4.170 0.001 0.000 0.329 598 I C 0.704 176.696 176.117 -0.208 0.000 1.313 598 I CA -0.204 60.972 61.300 -0.207 0.000 1.205 598 I CB 1.003 38.904 38.000 -0.165 0.000 1.179 598 I HN 0.547 nan 8.210 nan 0.000 0.419 599 G N 1.241 109.864 108.800 -0.293 0.000 2.435 599 G HA2 0.464 4.425 3.960 0.001 0.000 0.228 599 G HA3 0.464 4.425 3.960 0.001 0.000 0.228 599 G C -1.099 173.644 174.900 -0.262 0.000 1.198 599 G CA 0.229 45.194 45.100 -0.224 0.000 0.948 599 G HN 0.319 nan 8.290 nan 0.000 0.487 600 T N -2.299 112.146 114.554 -0.183 0.000 2.883 600 T HA 0.684 5.034 4.350 0.001 0.000 0.301 600 T C -1.698 172.936 174.700 -0.111 0.000 1.158 600 T CA -0.607 61.402 62.100 -0.152 0.000 1.007 600 T CB 2.144 70.946 68.868 -0.110 0.000 1.186 600 T HN 1.294 nan 8.240 nan 0.000 0.499 601 L N 2.673 123.841 121.223 -0.090 0.000 2.343 601 L HA 0.771 5.111 4.340 0.001 0.000 0.278 601 L C -0.306 176.497 176.870 -0.112 0.000 0.996 601 L CA 0.108 54.869 54.840 -0.131 0.000 0.831 601 L CB 1.404 43.369 42.059 -0.157 0.000 1.232 601 L HN 1.156 nan 8.230 nan 0.000 0.413 602 S N 2.797 118.437 115.700 -0.100 0.000 2.661 602 S HA 1.024 5.495 4.470 0.001 0.000 0.285 602 S C -0.298 174.276 174.600 -0.044 0.000 1.138 602 S CA -0.476 57.686 58.200 -0.063 0.000 0.855 602 S CB 2.441 65.613 63.200 -0.047 0.000 1.136 602 S HN 0.757 nan 8.310 nan 0.000 0.484 603 R N 0.000 120.485 120.500 -0.025 0.000 2.786 603 R HA 0.000 4.340 4.340 0.001 0.000 0.208 603 R CA 0.000 56.096 56.100 -0.007 0.000 0.921 603 R CB 0.000 30.301 30.300 0.001 0.000 0.687 603 R HN 0.000 nan 8.270 nan 0.000 0.535