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 1vrp_1_A DATA FIRST_RESID 12 DATA SEQUENCE LNYSAAEEFP DLSKHNNHMA KALTLDIYKK LRDKETPSGF TLDDIIQTGV DATA SEQUENCE DNPGHPFIMT VGCVAGDEEC YEVFKDLFDP VIEDRHGGYK PTDKHKTDLN DATA SEQUENCE QENLKGGDDL DPNYVLSSRV RTGRSIKGIA LPPHCSRGER RLVEKLCIDG DATA SEQUENCE LATLTGEFQG KYYPLSSMSD AEQQQLIDDH FLFDKPISPL LLASGMARDW DATA SEQUENCE PDGRGIWHNN DKTFLVWVNE EDHLRVISMQ KGGNMKEVFR RFCVGLKKIE DATA SEQUENCE DIFVKAGRGF MWNEHLGYVL TCPSNLGTGL RGGVHVKIPH LCKHEKFSEV DATA SEQUENCE LKRTRLQKRG TGGVDTAAVG SIYDISNADR LGFSEVEQVQ MVVDGVKLMV DATA SEQUENCE EMEKRLENGK SIDDLMPAQK 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 12 L HA 0.000 nan 4.340 nan 0.000 0.249 12 L C 0.000 176.937 176.870 0.112 0.000 1.165 12 L CA 0.000 54.929 54.840 0.148 0.000 0.813 12 L CB 0.000 42.102 42.059 0.072 0.000 0.961 13 N N 0.369 119.117 118.700 0.081 0.000 2.362 13 N HA 0.141 4.880 4.740 -0.001 0.000 0.204 13 N C -0.849 174.404 175.510 -0.429 0.000 1.166 13 N CA 0.498 53.439 53.050 -0.181 0.000 0.831 13 N CB 0.300 38.616 38.487 -0.284 0.000 1.008 13 N HN 0.273 nan 8.380 nan 0.000 0.472 14 Y N -0.224 120.093 120.300 0.027 0.000 2.446 14 Y HA 0.240 4.789 4.550 -0.001 0.000 0.345 14 Y C 0.794 176.724 175.900 0.049 0.000 0.984 14 Y CA -1.296 56.826 58.100 0.037 0.000 1.058 14 Y CB 1.121 39.607 38.460 0.043 0.000 1.220 14 Y HN -0.139 nan 8.280 nan 0.000 0.455 15 S N 0.698 116.505 115.700 0.178 0.000 2.600 15 S HA 0.433 4.903 4.470 -0.001 0.000 0.265 15 S C 1.265 175.978 174.600 0.190 0.000 1.325 15 S CA -0.212 58.070 58.200 0.136 0.000 1.002 15 S CB 1.252 64.508 63.200 0.093 0.000 0.921 15 S HN 0.911 nan 8.310 nan 0.000 0.554 16 A N 1.782 124.709 122.820 0.177 0.000 1.883 16 A HA 0.074 4.393 4.320 -0.001 0.000 0.217 16 A C 2.432 180.205 177.584 0.315 0.000 1.186 16 A CA 2.037 54.252 52.037 0.296 0.000 0.624 16 A CB -1.760 17.378 19.000 0.230 0.000 0.822 16 A HN 1.401 nan 8.150 nan 0.000 0.444 17 A N -0.535 122.385 122.820 0.165 0.000 1.933 17 A HA -0.162 4.158 4.320 -0.001 0.000 0.218 17 A C 1.909 179.573 177.584 0.133 0.000 1.175 17 A CA 1.667 53.765 52.037 0.103 0.000 0.628 17 A CB -0.506 18.514 19.000 0.032 0.000 0.814 17 A HN 0.642 nan 8.150 nan 0.000 0.444 18 E N -0.560 119.727 120.200 0.145 0.000 2.204 18 E HA -0.128 4.222 4.350 -0.001 0.000 0.194 18 E C 1.414 178.086 176.600 0.120 0.000 0.989 18 E CA 0.992 57.477 56.400 0.141 0.000 0.824 18 E CB 0.043 29.862 29.700 0.198 0.000 0.756 18 E HN 0.546 nan 8.360 nan 0.000 0.477 19 E N -0.266 120.033 120.200 0.166 0.000 2.472 19 E HA 0.009 4.358 4.350 -0.001 0.000 0.196 19 E C -0.119 176.464 176.600 -0.027 0.000 1.033 19 E CA -0.191 56.281 56.400 0.121 0.000 0.886 19 E CB 0.122 29.982 29.700 0.266 0.000 0.944 19 E HN 0.105 nan 8.360 nan 0.000 0.492 20 F N 3.962 123.769 119.950 -0.238 0.000 2.578 20 F HA 0.106 4.632 4.527 -0.001 0.000 0.381 20 F C -1.828 173.750 175.800 -0.370 0.000 1.069 20 F CA -2.213 55.454 58.000 -0.555 0.000 1.231 20 F CB 0.444 39.228 39.000 -0.360 0.000 1.086 20 F HN -0.150 nan 8.300 nan 0.000 0.564 21 P HA 0.031 nan 4.420 nan 0.000 0.269 21 P C -1.138 175.845 177.300 -0.529 0.000 1.215 21 P CA -0.199 62.501 63.100 -0.667 0.000 0.780 21 P CB 0.540 31.812 31.700 -0.713 0.000 0.898 22 D N 1.999 122.223 120.400 -0.293 0.000 2.411 22 D HA 0.124 4.764 4.640 -0.001 0.000 0.225 22 D C 0.247 176.404 176.300 -0.238 0.000 1.156 22 D CA -0.038 53.867 54.000 -0.158 0.000 0.874 22 D CB -0.099 40.667 40.800 -0.056 0.000 1.034 22 D HN 0.243 nan 8.370 nan 0.000 0.502 23 L N 2.800 123.853 121.223 -0.283 0.000 2.857 23 L HA 0.033 4.373 4.340 -0.001 0.000 0.249 23 L C 2.086 178.962 176.870 0.010 0.000 1.172 23 L CA -0.092 54.502 54.840 -0.410 0.000 0.980 23 L CB 0.063 41.837 42.059 -0.476 0.000 1.299 23 L HN 0.292 nan 8.230 nan 0.000 0.535 24 S N 0.336 116.070 115.700 0.058 0.000 2.387 24 S HA -0.207 4.262 4.470 -0.001 0.000 0.230 24 S C 1.462 176.121 174.600 0.099 0.000 1.035 24 S CA 1.095 59.339 58.200 0.073 0.000 1.014 24 S CB -0.260 62.972 63.200 0.053 0.000 0.836 24 S HN 0.460 nan 8.310 nan 0.000 0.466 25 K N 0.754 121.247 120.400 0.155 0.000 2.493 25 K HA 0.282 4.602 4.320 -0.001 0.000 0.207 25 K C -0.742 175.873 176.600 0.024 0.000 1.033 25 K CA -0.200 56.131 56.287 0.073 0.000 1.161 25 K CB 0.219 32.726 32.500 0.012 0.000 0.873 25 K HN 0.449 nan 8.250 nan 0.000 0.491 26 H N 0.693 119.738 119.070 -0.042 0.000 2.472 26 H HA 0.264 4.820 4.556 -0.001 0.000 0.335 26 H C -0.658 174.638 175.328 -0.053 0.000 1.136 26 H CA -0.438 55.576 56.048 -0.058 0.000 1.264 26 H CB 0.929 30.648 29.762 -0.071 0.000 1.486 26 H HN 0.029 nan 8.280 nan 0.000 0.517 27 N N 2.319 121.024 118.700 0.007 0.000 2.682 27 N HA 0.263 5.002 4.740 -0.001 0.000 0.252 27 N C -1.488 173.988 175.510 -0.057 0.000 1.081 27 N CA -0.735 52.298 53.050 -0.029 0.000 0.844 27 N CB 0.624 39.093 38.487 -0.030 0.000 1.167 27 N HN 0.690 nan 8.380 nan 0.000 0.523 28 N N -1.057 117.600 118.700 -0.071 0.000 3.217 28 N HA 0.086 4.825 4.740 -0.001 0.000 0.236 28 N C -0.180 175.285 175.510 -0.077 0.000 1.136 28 N CA -0.631 52.363 53.050 -0.094 0.000 0.997 28 N CB 0.664 39.154 38.487 0.004 0.000 1.658 28 N HN 0.035 nan 8.380 nan 0.000 0.527 29 H N 1.031 120.115 119.070 0.024 0.000 2.289 29 H HA -0.144 4.412 4.556 -0.001 0.000 0.294 29 H C 1.513 176.852 175.328 0.019 0.000 1.095 29 H CA 2.191 58.253 56.048 0.024 0.000 1.256 29 H CB 0.021 29.797 29.762 0.025 0.000 1.359 29 H HN 0.637 nan 8.280 nan 0.000 0.487 30 M N 0.991 120.667 119.600 0.125 0.000 2.108 30 M HA -0.132 4.347 4.480 -0.001 0.000 0.261 30 M C 2.345 178.645 176.300 0.000 0.000 1.066 30 M CA 1.909 57.230 55.300 0.035 0.000 1.107 30 M CB -0.771 31.823 32.600 -0.010 0.000 1.356 30 M HN 0.215 nan 8.290 nan 0.000 0.406 31 A N -0.020 122.795 122.820 -0.009 0.000 2.015 31 A HA -0.190 4.129 4.320 -0.001 0.000 0.219 31 A C 2.222 179.812 177.584 0.010 0.000 1.163 31 A CA 1.843 53.859 52.037 -0.035 0.000 0.646 31 A CB -0.669 18.320 19.000 -0.018 0.000 0.806 31 A HN 0.678 nan 8.150 nan 0.000 0.448 32 K N -0.579 119.839 120.400 0.031 0.000 2.228 32 K HA 0.135 4.455 4.320 -0.001 0.000 0.202 32 K C 1.827 178.466 176.600 0.064 0.000 1.051 32 K CA 0.976 57.290 56.287 0.045 0.000 0.960 32 K CB -0.177 32.352 32.500 0.048 0.000 0.743 32 K HN 0.341 nan 8.250 nan 0.000 0.458 33 A N 1.016 123.879 122.820 0.071 0.000 1.924 33 A HA 0.125 4.445 4.320 -0.001 0.000 0.211 33 A C 0.707 178.338 177.584 0.077 0.000 1.198 33 A CA -0.200 51.883 52.037 0.076 0.000 0.657 33 A CB -0.196 18.853 19.000 0.081 0.000 0.852 33 A HN 0.297 nan 8.150 nan 0.000 0.454 34 L N 2.161 123.427 121.223 0.073 0.000 2.499 34 L HA 0.358 4.697 4.340 -0.001 0.000 0.273 34 L C 0.407 177.400 176.870 0.205 0.000 1.195 34 L CA 1.225 56.138 54.840 0.122 0.000 0.882 34 L CB 0.426 42.524 42.059 0.066 0.000 1.133 34 L HN 0.502 nan 8.230 nan 0.000 0.483 35 T N 1.584 116.265 114.554 0.213 0.000 2.865 35 T HA 0.325 4.674 4.350 -0.001 0.000 0.294 35 T C 0.611 175.329 174.700 0.031 0.000 1.119 35 T CA -0.696 61.464 62.100 0.100 0.000 1.007 35 T CB 0.877 69.762 68.868 0.029 0.000 1.225 35 T HN 0.507 nan 8.240 nan 0.000 0.515 36 L N 0.779 121.796 121.223 -0.343 0.000 2.079 36 L HA 0.016 4.355 4.340 -0.001 0.000 0.210 36 L C 2.005 178.857 176.870 -0.031 0.000 1.081 36 L CA 1.973 56.582 54.840 -0.385 0.000 0.752 36 L CB -1.007 40.760 42.059 -0.486 0.000 0.896 36 L HN 0.766 nan 8.230 nan 0.000 0.433 37 D N -0.466 119.921 120.400 -0.021 0.000 2.097 37 D HA -0.172 4.467 4.640 -0.001 0.000 0.195 37 D C 2.296 178.639 176.300 0.072 0.000 0.989 37 D CA 1.815 55.829 54.000 0.022 0.000 0.827 37 D CB -0.019 40.786 40.800 0.009 0.000 0.966 37 D HN 0.418 nan 8.370 nan 0.000 0.456 38 I N 0.039 120.671 120.570 0.104 0.000 2.286 38 I HA -0.285 3.884 4.170 -0.001 0.000 0.248 38 I C 2.387 178.613 176.117 0.180 0.000 1.115 38 I CA 0.828 62.207 61.300 0.131 0.000 1.392 38 I CB -0.299 37.786 38.000 0.142 0.000 1.065 38 I HN -0.002 nan 8.210 nan 0.000 0.418 39 Y N 2.030 122.401 120.300 0.119 0.000 2.163 39 Y HA -0.226 4.324 4.550 -0.001 0.000 0.288 39 Y C 2.531 178.494 175.900 0.105 0.000 1.136 39 Y CA 1.569 59.759 58.100 0.151 0.000 1.147 39 Y CB -0.197 38.450 38.460 0.312 0.000 0.987 39 Y HN -0.042 nan 8.280 nan 0.000 0.509 40 K N 0.156 120.641 120.400 0.142 0.000 2.020 40 K HA -0.272 4.048 4.320 -0.001 0.000 0.212 40 K C 2.259 178.849 176.600 -0.017 0.000 1.050 40 K CA 2.038 58.348 56.287 0.038 0.000 0.929 40 K CB -0.271 32.259 32.500 0.051 0.000 0.714 40 K HN 0.206 nan 8.250 nan 0.000 0.443 41 K N 0.908 121.315 120.400 0.012 0.000 2.148 41 K HA -0.110 4.210 4.320 -0.001 0.000 0.204 41 K C 1.663 178.261 176.600 -0.003 0.000 1.050 41 K CA 1.105 57.395 56.287 0.005 0.000 0.942 41 K CB 0.164 32.676 32.500 0.021 0.000 0.724 41 K HN 0.124 nan 8.250 nan 0.000 0.446 42 L N 0.298 121.525 121.223 0.008 0.000 2.638 42 L HA 0.152 4.491 4.340 -0.001 0.000 0.232 42 L C 2.051 178.944 176.870 0.038 0.000 1.099 42 L CA -0.145 54.738 54.840 0.073 0.000 0.883 42 L CB -0.002 42.199 42.059 0.238 0.000 1.136 42 L HN 0.106 nan 8.230 nan 0.000 0.492 43 R N 0.888 121.256 120.500 -0.220 0.000 2.241 43 R HA -0.179 4.161 4.340 -0.001 0.000 0.224 43 R C 1.026 177.241 176.300 -0.141 0.000 1.101 43 R CA 1.835 57.722 56.100 -0.355 0.000 0.995 43 R CB -0.641 29.168 30.300 -0.819 0.000 0.870 43 R HN 0.491 nan 8.270 nan 0.000 0.463 44 D N -0.232 120.130 120.400 -0.064 0.000 2.360 44 D HA 0.051 4.691 4.640 -0.001 0.000 0.210 44 D C -0.042 176.273 176.300 0.025 0.000 1.047 44 D CA -0.173 53.815 54.000 -0.020 0.000 0.854 44 D CB 0.277 41.065 40.800 -0.021 0.000 0.936 44 D HN 0.109 nan 8.370 nan 0.000 0.514 45 K N 0.267 120.708 120.400 0.069 0.000 2.107 45 K HA 0.379 4.698 4.320 -0.001 0.000 0.251 45 K C 0.059 176.782 176.600 0.205 0.000 1.012 45 K CA -0.374 55.958 56.287 0.074 0.000 0.920 45 K CB 0.818 33.273 32.500 -0.075 0.000 1.033 45 K HN 0.315 nan 8.250 nan 0.000 0.478 46 E N -1.053 119.239 120.200 0.153 0.000 2.392 46 E HA 0.225 4.574 4.350 -0.001 0.000 0.279 46 E C -1.128 175.579 176.600 0.178 0.000 0.964 46 E CA -1.041 55.491 56.400 0.220 0.000 0.777 46 E CB 1.241 31.022 29.700 0.135 0.000 1.249 46 E HN 0.586 nan 8.360 nan 0.000 0.449 47 T N -1.810 112.896 114.554 0.254 0.000 2.824 47 T HA 0.321 4.670 4.350 -0.001 0.000 0.277 47 T C -1.811 172.985 174.700 0.159 0.000 0.975 47 T CA -1.651 60.569 62.100 0.201 0.000 0.966 47 T CB 0.878 69.903 68.868 0.263 0.000 1.054 47 T HN 0.231 nan 8.240 nan 0.000 0.533 48 P HA -0.103 nan 4.420 nan 0.000 0.216 48 P C 1.629 179.013 177.300 0.139 0.000 1.150 48 P CA 1.390 64.556 63.100 0.111 0.000 0.843 48 P CB -0.079 31.675 31.700 0.090 0.000 0.787 49 S N -2.077 113.737 115.700 0.189 0.000 2.593 49 S HA 0.252 4.721 4.470 -0.001 0.000 0.217 49 S C 1.512 176.331 174.600 0.364 0.000 0.966 49 S CA 0.465 58.813 58.200 0.247 0.000 0.914 49 S CB -1.088 62.287 63.200 0.292 0.000 0.776 49 S HN 0.281 nan 8.310 nan 0.000 0.523 50 G N 0.250 109.221 108.800 0.284 0.000 2.141 50 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.242 50 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.242 50 G C -0.209 174.806 174.900 0.190 0.000 0.982 50 G CA -0.051 45.199 45.100 0.250 0.000 0.662 50 G HN 0.520 nan 8.290 nan 0.000 0.527 51 F N 2.543 122.464 119.950 -0.049 0.000 2.429 51 F HA 0.604 5.131 4.527 -0.001 0.000 0.348 51 F C 1.154 176.915 175.800 -0.065 0.000 1.109 51 F CA 0.734 58.574 58.000 -0.267 0.000 1.232 51 F CB 1.271 40.091 39.000 -0.299 0.000 1.157 51 F HN 0.340 nan 8.300 nan 0.000 0.564 52 T N 2.785 117.045 114.554 -0.491 0.000 2.888 52 T HA 0.309 4.658 4.350 -0.001 0.000 0.288 52 T C 0.539 174.815 174.700 -0.707 0.000 1.063 52 T CA -0.829 61.057 62.100 -0.356 0.000 1.010 52 T CB 1.168 69.898 68.868 -0.229 0.000 1.214 52 T HN 0.565 nan 8.240 nan 0.000 0.533 53 L N 0.806 121.609 121.223 -0.700 0.000 2.042 53 L HA 0.002 4.342 4.340 -0.001 0.000 0.210 53 L C 1.959 178.590 176.870 -0.398 0.000 1.076 53 L CA 2.084 56.514 54.840 -0.684 0.000 0.749 53 L CB -1.135 40.715 42.059 -0.348 0.000 0.893 53 L HN 0.748 nan 8.230 nan 0.000 0.432 54 D N -0.305 119.924 120.400 -0.284 0.000 2.144 54 D HA -0.185 4.455 4.640 -0.001 0.000 0.199 54 D C 1.795 177.911 176.300 -0.308 0.000 0.984 54 D CA 1.434 55.313 54.000 -0.202 0.000 0.834 54 D CB -0.156 40.563 40.800 -0.134 0.000 0.955 54 D HN 0.460 nan 8.370 nan 0.000 0.465 55 D N 0.364 120.452 120.400 -0.521 0.000 2.117 55 D HA -0.084 4.555 4.640 -0.001 0.000 0.197 55 D C 2.369 178.386 176.300 -0.471 0.000 0.987 55 D CA 0.406 53.976 54.000 -0.716 0.000 0.829 55 D CB -0.105 39.680 40.800 -1.691 0.000 0.961 55 D HN 0.281 nan 8.370 nan 0.000 0.460 56 I N 1.432 121.748 120.570 -0.424 0.000 2.226 56 I HA -0.220 3.950 4.170 -0.001 0.000 0.245 56 I C 2.473 178.529 176.117 -0.102 0.000 1.100 56 I CA 0.968 62.215 61.300 -0.090 0.000 1.374 56 I CB -0.213 37.633 38.000 -0.256 0.000 1.057 56 I HN 0.046 nan 8.210 nan 0.000 0.413 57 I N -2.119 118.343 120.570 -0.179 0.000 3.728 57 I HA -0.037 4.133 4.170 -0.001 0.000 0.307 57 I C 2.267 178.316 176.117 -0.113 0.000 1.276 57 I CA 0.422 61.636 61.300 -0.143 0.000 1.285 57 I CB -0.257 37.635 38.000 -0.179 0.000 1.038 57 I HN 0.107 nan 8.210 nan 0.000 0.445 58 Q N 1.750 121.483 119.800 -0.110 0.000 2.133 58 Q HA -0.253 4.086 4.340 -0.001 0.000 0.208 58 Q C 2.329 178.304 176.000 -0.042 0.000 0.991 58 Q CA 3.064 58.816 55.803 -0.085 0.000 0.867 58 Q CB -0.693 27.997 28.738 -0.080 0.000 0.911 58 Q HN 0.568 nan 8.270 nan 0.000 0.417 59 T N -1.627 112.920 114.554 -0.012 0.000 2.833 59 T HA -0.077 4.272 4.350 -0.001 0.000 0.269 59 T C 1.543 176.249 174.700 0.009 0.000 1.054 59 T CA 1.439 63.544 62.100 0.009 0.000 1.135 59 T CB -0.585 68.304 68.868 0.034 0.000 0.869 59 T HN 0.532 nan 8.240 nan 0.000 0.466 60 G N 0.200 109.000 108.800 0.000 0.000 2.448 60 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.218 60 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.218 60 G C 1.623 176.554 174.900 0.052 0.000 1.135 60 G CA 0.909 46.020 45.100 0.018 0.000 0.784 60 G HN 0.506 nan 8.290 nan 0.000 0.543 61 V N 1.279 121.178 119.914 -0.025 0.000 2.407 61 V HA -0.075 4.045 4.120 -0.001 0.000 0.245 61 V C 2.389 178.571 176.094 0.147 0.000 1.041 61 V CA 1.916 64.201 62.300 -0.025 0.000 1.040 61 V CB -0.259 31.478 31.823 -0.144 0.000 0.671 61 V HN 0.223 nan 8.190 nan 0.000 0.455 62 D N 0.014 120.440 120.400 0.044 0.000 2.149 62 D HA -0.035 4.605 4.640 -0.001 0.000 0.201 62 D C 0.714 177.005 176.300 -0.015 0.000 0.972 62 D CA 0.830 54.839 54.000 0.015 0.000 0.835 62 D CB -0.200 40.595 40.800 -0.009 0.000 0.966 62 D HN 0.390 nan 8.370 nan 0.000 0.476 63 N N 1.253 119.943 118.700 -0.017 0.000 2.558 63 N HA 0.161 4.900 4.740 -0.001 0.000 0.242 63 N C -2.044 173.389 175.510 -0.128 0.000 0.979 63 N CA -1.134 51.868 53.050 -0.079 0.000 0.931 63 N CB 2.255 40.715 38.487 -0.045 0.000 1.122 63 N HN -0.028 nan 8.380 nan 0.000 0.508 64 P HA 0.040 nan 4.420 nan 0.000 0.231 64 P C 0.885 177.996 177.300 -0.316 0.000 1.168 64 P CA 0.683 63.477 63.100 -0.509 0.000 0.779 64 P CB 0.481 31.740 31.700 -0.735 0.000 0.844 65 G N 0.024 108.624 108.800 -0.333 0.000 2.697 65 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.240 65 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.240 65 G C -0.937 173.669 174.900 -0.490 0.000 1.346 65 G CA -0.557 44.339 45.100 -0.340 0.000 0.887 65 G HN 0.323 nan 8.290 nan 0.000 0.569 66 H N 0.300 119.373 119.070 0.006 0.000 2.690 66 H HA 0.410 4.965 4.556 -0.001 0.000 0.368 66 H C -1.482 173.899 175.328 0.089 0.000 1.150 66 H CA -1.065 55.016 56.048 0.055 0.000 1.174 66 H CB 1.876 31.687 29.762 0.081 0.000 1.684 66 H HN 0.264 nan 8.280 nan 0.000 0.538 67 P HA -0.190 nan 4.420 nan 0.000 0.216 67 P C 1.353 178.675 177.300 0.036 0.000 1.154 67 P CA 1.440 64.594 63.100 0.090 0.000 0.865 67 P CB 0.063 31.788 31.700 0.043 0.000 0.789 68 F N 0.350 120.325 119.950 0.042 0.000 2.102 68 F HA -0.071 4.455 4.527 -0.001 0.000 0.298 68 F C 1.740 177.555 175.800 0.025 0.000 1.105 68 F CA 0.701 58.716 58.000 0.025 0.000 1.239 68 F CB -0.942 38.067 39.000 0.014 0.000 0.991 68 F HN -0.089 nan 8.300 nan 0.000 0.474 69 I N -1.182 119.538 120.570 0.251 0.000 2.460 69 I HA 0.356 4.525 4.170 -0.001 0.000 0.298 69 I C -0.567 175.592 176.117 0.069 0.000 0.989 69 I CA -1.213 60.170 61.300 0.139 0.000 1.173 69 I CB 1.062 39.143 38.000 0.135 0.000 1.338 69 I HN -0.082 nan 8.210 nan 0.000 0.456 70 M N 5.868 125.477 119.600 0.014 0.000 2.101 70 M HA 0.309 4.788 4.480 -0.001 0.000 0.340 70 M C 0.076 176.360 176.300 -0.026 0.000 1.057 70 M CA -0.177 55.068 55.300 -0.092 0.000 0.984 70 M CB 1.571 34.022 32.600 -0.248 0.000 1.560 70 M HN 0.868 nan 8.290 nan 0.000 0.435 71 T N 0.024 114.566 114.554 -0.021 0.000 2.902 71 T HA 0.476 4.826 4.350 -0.001 0.000 0.280 71 T C 1.270 176.048 174.700 0.131 0.000 0.992 71 T CA -0.944 61.189 62.100 0.056 0.000 1.015 71 T CB 1.447 70.332 68.868 0.028 0.000 1.044 71 T HN 0.374 nan 8.240 nan 0.000 0.520 72 V N 1.051 121.071 119.914 0.177 0.000 2.379 72 V HA 0.176 4.295 4.120 -0.001 0.000 0.245 72 V C 2.442 178.629 176.094 0.155 0.000 1.044 72 V CA 1.728 64.159 62.300 0.219 0.000 1.036 72 V CB -1.696 30.224 31.823 0.161 0.000 0.664 72 V HN 1.405 nan 8.190 nan 0.000 0.453 73 G N 0.231 109.091 108.800 0.100 0.000 2.155 73 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.257 73 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.257 73 G C 0.178 175.107 174.900 0.048 0.000 0.983 73 G CA 0.497 45.636 45.100 0.064 0.000 0.676 73 G HN 1.307 nan 8.290 nan 0.000 0.528 74 C N -2.278 117.073 119.300 0.086 0.000 3.307 74 C HA 0.897 5.356 4.460 -0.001 0.000 0.333 74 C C -0.057 175.048 174.990 0.191 0.000 1.291 74 C CA -0.455 58.614 59.018 0.085 0.000 1.273 74 C CB 1.576 29.310 27.740 -0.010 0.000 1.580 74 C HN 1.798 nan 8.230 nan 0.000 0.481 75 V N -1.381 118.664 119.914 0.218 0.000 3.160 75 V HA 1.027 5.146 4.120 -0.001 0.000 0.310 75 V C -0.036 176.202 176.094 0.240 0.000 1.181 75 V CA -0.206 62.226 62.300 0.220 0.000 1.047 75 V CB 1.264 33.169 31.823 0.138 0.000 1.068 75 V HN 2.269 nan 8.190 nan 0.000 0.441 76 A N 0.407 123.215 122.820 -0.021 0.000 2.304 76 A HA 0.772 5.091 4.320 -0.001 0.000 0.323 76 A C 0.942 178.242 177.584 -0.474 0.000 1.195 76 A CA 0.022 51.883 52.037 -0.293 0.000 0.826 76 A CB 1.104 19.670 19.000 -0.723 0.000 1.184 76 A HN 1.823 nan 8.150 nan 0.000 0.496 77 G N 1.082 109.266 108.800 -1.027 0.000 2.777 77 G HA2 0.369 4.328 3.960 -0.001 0.000 0.211 77 G HA3 0.369 4.328 3.960 -0.001 0.000 0.211 77 G C 0.084 174.620 174.900 -0.608 0.000 1.149 77 G CA 0.907 45.066 45.100 -1.568 0.000 0.785 77 G HN 0.931 nan 8.290 nan 0.000 0.536 78 D N -3.262 116.918 120.400 -0.367 0.000 2.738 78 D HA 0.104 4.743 4.640 -0.001 0.000 0.308 78 D C 0.655 176.909 176.300 -0.077 0.000 1.311 78 D CA -0.621 53.306 54.000 -0.122 0.000 0.799 78 D CB 0.440 41.238 40.800 -0.003 0.000 1.332 78 D HN -0.101 nan 8.370 nan 0.000 0.441 79 E N -0.611 119.597 120.200 0.013 0.000 2.072 79 E HA -0.200 4.149 4.350 -0.001 0.000 0.191 79 E C 0.974 177.618 176.600 0.072 0.000 0.985 79 E CA 1.306 57.742 56.400 0.061 0.000 0.801 79 E CB 0.070 29.822 29.700 0.086 0.000 0.750 79 E HN 0.457 nan 8.360 nan 0.000 0.452 80 E N -0.096 120.147 120.200 0.071 0.000 2.265 80 E HA -0.157 4.192 4.350 -0.001 0.000 0.196 80 E C 1.930 178.596 176.600 0.111 0.000 0.996 80 E CA 0.854 57.306 56.400 0.086 0.000 0.832 80 E CB -0.360 29.392 29.700 0.086 0.000 0.756 80 E HN 0.329 nan 8.360 nan 0.000 0.491 81 C N 0.030 119.386 119.300 0.094 0.000 2.401 81 C HA -0.182 4.278 4.460 -0.001 0.000 0.276 81 C C 2.058 177.157 174.990 0.183 0.000 1.233 81 C CA 0.685 59.839 59.018 0.227 0.000 1.753 81 C CB -1.022 26.738 27.740 0.033 0.000 2.029 81 C HN 0.472 nan 8.230 nan 0.000 0.478 82 Y N 1.011 121.315 120.300 0.006 0.000 2.497 82 Y HA -0.089 4.460 4.550 -0.001 0.000 0.292 82 Y C 2.378 178.349 175.900 0.118 0.000 1.137 82 Y CA 1.270 59.324 58.100 -0.078 0.000 1.285 82 Y CB -0.525 37.787 38.460 -0.248 0.000 0.991 82 Y HN 0.528 nan 8.280 nan 0.000 0.556 83 E N -1.190 119.136 120.200 0.211 0.000 2.132 83 E HA -0.053 4.296 4.350 -0.001 0.000 0.193 83 E C 2.207 178.842 176.600 0.059 0.000 0.951 83 E CA 0.790 57.271 56.400 0.134 0.000 0.843 83 E CB -0.219 29.530 29.700 0.081 0.000 0.807 83 E HN 0.118 nan 8.360 nan 0.000 0.467 84 V N 0.850 120.746 119.914 -0.031 0.000 2.392 84 V HA -0.203 3.917 4.120 -0.001 0.000 0.249 84 V C 1.110 176.871 176.094 -0.556 0.000 1.059 84 V CA 1.603 63.703 62.300 -0.334 0.000 1.051 84 V CB -0.302 31.214 31.823 -0.511 0.000 0.658 84 V HN 0.192 nan 8.190 nan 0.000 0.455 85 F N 0.005 120.072 119.950 0.195 0.000 2.791 85 F HA 0.243 4.770 4.527 -0.001 0.000 0.308 85 F C 1.789 177.740 175.800 0.252 0.000 1.138 85 F CA -0.615 57.493 58.000 0.179 0.000 1.294 85 F CB -0.349 38.735 39.000 0.140 0.000 0.975 85 F HN 0.114 nan 8.300 nan 0.000 0.512 86 K N -0.530 120.078 120.400 0.348 0.000 2.160 86 K HA -0.227 4.093 4.320 -0.001 0.000 0.206 86 K C 0.683 177.434 176.600 0.252 0.000 1.047 86 K CA 2.187 58.677 56.287 0.338 0.000 0.930 86 K CB -0.312 32.318 32.500 0.217 0.000 0.720 86 K HN 0.086 nan 8.250 nan 0.000 0.450 87 D N 0.745 121.253 120.400 0.179 0.000 2.263 87 D HA -0.121 4.519 4.640 -0.001 0.000 0.208 87 D C 1.709 178.086 176.300 0.129 0.000 0.971 87 D CA 0.815 54.895 54.000 0.134 0.000 0.867 87 D CB 0.024 40.887 40.800 0.105 0.000 0.929 87 D HN 0.261 nan 8.370 nan 0.000 0.492 88 L N -1.314 119.981 121.223 0.121 0.000 2.269 88 L HA 0.157 4.497 4.340 -0.001 0.000 0.200 88 L C 1.685 178.571 176.870 0.027 0.000 1.069 88 L CA 0.917 55.763 54.840 0.009 0.000 0.804 88 L CB -0.401 41.566 42.059 -0.153 0.000 0.987 88 L HN -0.207 nan 8.230 nan 0.000 0.468 89 F N 0.794 120.865 119.950 0.203 0.000 2.171 89 F HA -0.169 4.357 4.527 -0.001 0.000 0.300 89 F C 2.235 178.162 175.800 0.211 0.000 1.090 89 F CA 1.432 59.572 58.000 0.233 0.000 1.293 89 F CB -0.808 38.403 39.000 0.352 0.000 1.013 89 F HN 0.174 nan 8.300 nan 0.000 0.486 90 D N 0.448 121.072 120.400 0.374 0.000 2.092 90 D HA -0.156 4.483 4.640 -0.001 0.000 0.193 90 D C -0.316 176.116 176.300 0.219 0.000 0.994 90 D CA 1.849 56.019 54.000 0.284 0.000 0.828 90 D CB -1.911 39.022 40.800 0.222 0.000 0.963 90 D HN 0.211 nan 8.370 nan 0.000 0.450 91 P HA -0.027 nan 4.420 nan 0.000 0.222 91 P C 1.850 179.230 177.300 0.134 0.000 1.153 91 P CA 0.593 63.774 63.100 0.136 0.000 0.798 91 P CB 0.268 32.034 31.700 0.110 0.000 0.796 92 V N 0.542 120.546 119.914 0.151 0.000 2.307 92 V HA -0.197 3.922 4.120 -0.001 0.000 0.245 92 V C 2.707 178.840 176.094 0.065 0.000 1.045 92 V CA 1.509 63.883 62.300 0.122 0.000 1.024 92 V CB -0.891 31.031 31.823 0.164 0.000 0.651 92 V HN -0.022 nan 8.190 nan 0.000 0.449 93 I N -0.291 120.390 120.570 0.184 0.000 2.252 93 I HA -0.244 3.925 4.170 -0.001 0.000 0.245 93 I C 2.562 178.802 176.117 0.205 0.000 1.102 93 I CA 1.732 63.170 61.300 0.230 0.000 1.385 93 I CB -0.335 37.831 38.000 0.277 0.000 1.064 93 I HN 0.408 nan 8.210 nan 0.000 0.414 94 E N 1.035 121.352 120.200 0.195 0.000 2.058 94 E HA -0.269 4.081 4.350 -0.001 0.000 0.194 94 E C 1.730 178.395 176.600 0.108 0.000 0.997 94 E CA 1.622 58.132 56.400 0.184 0.000 0.801 94 E CB 0.077 29.864 29.700 0.146 0.000 0.746 94 E HN 0.410 nan 8.360 nan 0.000 0.450 95 D N -0.274 120.157 120.400 0.052 0.000 2.117 95 D HA -0.165 4.474 4.640 -0.001 0.000 0.197 95 D C 2.167 178.390 176.300 -0.130 0.000 0.987 95 D CA 0.969 54.985 54.000 0.027 0.000 0.829 95 D CB -0.145 40.729 40.800 0.123 0.000 0.961 95 D HN 0.019 nan 8.370 nan 0.000 0.460 96 R N 0.388 120.615 120.500 -0.455 0.000 2.115 96 R HA -0.046 4.294 4.340 -0.001 0.000 0.226 96 R C 1.259 177.256 176.300 -0.506 0.000 1.100 96 R CA 1.318 56.978 56.100 -0.733 0.000 0.980 96 R CB -0.511 29.201 30.300 -0.980 0.000 0.875 96 R HN 0.288 nan 8.270 nan 0.000 0.445 97 H N -1.676 117.363 119.070 -0.052 0.000 2.517 97 H HA 0.327 4.882 4.556 -0.001 0.000 0.282 97 H C 0.523 175.907 175.328 0.093 0.000 1.023 97 H CA 0.386 56.438 56.048 0.007 0.000 1.169 97 H CB 0.865 30.595 29.762 -0.054 0.000 1.454 97 H HN 0.432 nan 8.280 nan 0.000 0.556 98 G N -0.061 108.820 108.800 0.134 0.000 2.137 98 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.237 98 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.237 98 G C 0.969 175.959 174.900 0.149 0.000 1.002 98 G CA 0.056 45.239 45.100 0.138 0.000 0.702 98 G HN 0.927 nan 8.290 nan 0.000 0.515 99 G N -1.971 106.925 108.800 0.161 0.000 2.205 99 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.180 99 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.180 99 G C 0.306 175.301 174.900 0.159 0.000 1.004 99 G CA 0.273 45.453 45.100 0.134 0.000 0.670 99 G HN 1.636 nan 8.290 nan 0.000 0.496 100 Y N 2.854 123.215 120.300 0.101 0.000 2.802 100 Y HA 0.372 4.921 4.550 -0.001 0.000 0.333 100 Y C 0.976 176.943 175.900 0.110 0.000 1.244 100 Y CA 0.839 58.999 58.100 0.100 0.000 1.558 100 Y CB 0.366 38.888 38.460 0.103 0.000 1.233 100 Y HN 0.195 nan 8.280 nan 0.000 0.547 101 K N 8.098 128.372 120.400 -0.210 0.000 2.098 101 K HA 0.217 4.537 4.320 -0.001 0.000 0.258 101 K C -1.616 174.938 176.600 -0.078 0.000 0.973 101 K CA -1.747 54.481 56.287 -0.099 0.000 0.898 101 K CB 1.059 33.481 32.500 -0.130 0.000 1.057 101 K HN 0.379 nan 8.250 nan 0.000 0.447 102 P HA -0.213 nan 4.420 nan 0.000 0.218 102 P C 0.912 177.864 177.300 -0.580 0.000 1.146 102 P CA 1.517 64.501 63.100 -0.195 0.000 0.813 102 P CB -0.010 31.643 31.700 -0.078 0.000 0.778 103 T N -5.160 109.198 114.554 -0.327 0.000 3.081 103 T HA 0.040 4.389 4.350 -0.001 0.000 0.255 103 T C 0.673 175.210 174.700 -0.273 0.000 1.113 103 T CA -0.178 61.747 62.100 -0.292 0.000 1.082 103 T CB -0.532 68.231 68.868 -0.175 0.000 0.939 103 T HN -0.046 nan 8.240 nan 0.000 0.506 104 D N 2.033 122.230 120.400 -0.339 0.000 2.382 104 D HA 0.356 4.995 4.640 -0.001 0.000 0.240 104 D C -0.122 176.119 176.300 -0.098 0.000 1.146 104 D CA 0.265 54.042 54.000 -0.371 0.000 0.897 104 D CB 0.899 41.133 40.800 -0.944 0.000 1.197 104 D HN 0.334 nan 8.370 nan 0.000 0.432 105 K N 0.169 120.564 120.400 -0.009 0.000 2.259 105 K HA 0.328 4.647 4.320 -0.001 0.000 0.249 105 K C -0.654 176.078 176.600 0.220 0.000 0.942 105 K CA -0.733 55.623 56.287 0.115 0.000 0.816 105 K CB 1.746 34.267 32.500 0.035 0.000 1.155 105 K HN 0.366 nan 8.250 nan 0.000 0.428 106 H N 1.554 120.688 119.070 0.106 0.000 2.476 106 H HA 0.245 4.800 4.556 -0.001 0.000 0.328 106 H C -1.089 174.285 175.328 0.076 0.000 1.073 106 H CA -0.841 55.247 56.048 0.066 0.000 1.229 106 H CB 0.808 30.523 29.762 -0.077 0.000 1.432 106 H HN 0.402 nan 8.280 nan 0.000 0.477 107 K N 3.746 123.866 120.400 -0.466 0.000 2.248 107 K HA 0.314 4.634 4.320 -0.001 0.000 0.281 107 K C -0.890 175.545 176.600 -0.274 0.000 1.054 107 K CA -0.735 55.409 56.287 -0.237 0.000 0.903 107 K CB 1.161 33.575 32.500 -0.143 0.000 1.077 107 K HN 0.400 nan 8.250 nan 0.000 0.474 108 T N 2.885 117.474 114.554 0.059 0.000 2.767 108 T HA 0.130 4.479 4.350 -0.001 0.000 0.288 108 T C -1.115 173.653 174.700 0.114 0.000 0.963 108 T CA -0.283 61.922 62.100 0.176 0.000 1.019 108 T CB 0.782 69.782 68.868 0.221 0.000 0.923 108 T HN 0.606 nan 8.240 nan 0.000 0.468 109 D N 3.208 123.701 120.400 0.154 0.000 2.686 109 D HA 0.302 4.941 4.640 -0.001 0.000 0.249 109 D C -0.094 176.332 176.300 0.209 0.000 1.260 109 D CA -0.531 53.553 54.000 0.141 0.000 0.910 109 D CB 1.144 42.020 40.800 0.126 0.000 1.323 109 D HN 0.365 nan 8.370 nan 0.000 0.561 110 L N 2.850 124.162 121.223 0.148 0.000 2.906 110 L HA 0.245 4.584 4.340 -0.001 0.000 0.255 110 L C 0.596 177.474 176.870 0.013 0.000 1.166 110 L CA -0.274 54.636 54.840 0.116 0.000 0.977 110 L CB 0.240 42.346 42.059 0.078 0.000 1.313 110 L HN 0.242 nan 8.230 nan 0.000 0.549 111 N N 1.441 120.174 118.700 0.055 0.000 2.399 111 N HA -0.020 4.719 4.740 -0.001 0.000 0.259 111 N C 1.003 176.551 175.510 0.064 0.000 1.160 111 N CA 0.045 53.114 53.050 0.031 0.000 0.946 111 N CB 1.201 39.716 38.487 0.047 0.000 1.156 111 N HN 0.229 nan 8.380 nan 0.000 0.489 112 Q N 2.311 122.088 119.800 -0.037 0.000 2.437 112 Q HA -0.036 4.303 4.340 -0.001 0.000 0.210 112 Q C 0.675 176.764 176.000 0.148 0.000 0.972 112 Q CA 1.337 57.139 55.803 0.000 0.000 0.903 112 Q CB -0.101 28.523 28.738 -0.189 0.000 0.967 112 Q HN 0.644 nan 8.270 nan 0.000 0.486 113 E N 0.691 120.947 120.200 0.093 0.000 2.482 113 E HA -0.024 4.326 4.350 -0.001 0.000 0.196 113 E C 0.768 177.429 176.600 0.102 0.000 1.047 113 E CA 0.362 56.815 56.400 0.088 0.000 0.869 113 E CB -0.089 29.644 29.700 0.054 0.000 0.836 113 E HN 0.618 nan 8.360 nan 0.000 0.520 114 N N 0.612 119.391 118.700 0.131 0.000 2.467 114 N HA -0.004 4.735 4.740 -0.001 0.000 0.184 114 N C 0.147 175.731 175.510 0.123 0.000 1.106 114 N CA -0.307 52.814 53.050 0.117 0.000 0.892 114 N CB 0.300 38.859 38.487 0.120 0.000 0.969 114 N HN 0.015 nan 8.380 nan 0.000 0.454 115 L N 1.711 123.035 121.223 0.168 0.000 2.349 115 L HA 0.200 4.539 4.340 -0.001 0.000 0.275 115 L C -0.546 176.373 176.870 0.081 0.000 1.115 115 L CA -0.037 54.875 54.840 0.120 0.000 0.820 115 L CB 0.656 42.823 42.059 0.179 0.000 1.135 115 L HN -0.158 nan 8.230 nan 0.000 0.445 116 K N 4.647 125.073 120.400 0.044 0.000 2.293 116 K HA 0.663 4.982 4.320 -0.001 0.000 0.267 116 K C 0.373 176.988 176.600 0.025 0.000 1.010 116 K CA -0.007 56.301 56.287 0.036 0.000 0.875 116 K CB 1.132 33.648 32.500 0.026 0.000 1.106 116 K HN 0.960 nan 8.250 nan 0.000 0.450 117 G N 1.735 110.554 108.800 0.032 0.000 2.539 117 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.256 117 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.256 117 G C 0.616 175.532 174.900 0.026 0.000 1.233 117 G CA 0.148 45.263 45.100 0.026 0.000 0.936 117 G HN 1.222 nan 8.290 nan 0.000 0.571 118 G N -0.795 108.013 108.800 0.015 0.000 2.136 118 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.242 118 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.242 118 G C 0.723 175.639 174.900 0.027 0.000 0.989 118 G CA 1.495 46.601 45.100 0.010 0.000 0.682 118 G HN 2.108 nan 8.290 nan 0.000 0.522 119 D N 0.224 120.643 120.400 0.032 0.000 2.433 119 D HA 0.116 4.756 4.640 -0.001 0.000 0.211 119 D C 0.702 177.023 176.300 0.034 0.000 1.114 119 D CA 0.719 54.743 54.000 0.039 0.000 0.837 119 D CB 0.124 40.950 40.800 0.043 0.000 0.984 119 D HN 0.383 nan 8.370 nan 0.000 0.505 120 D N 0.571 120.988 120.400 0.029 0.000 2.571 120 D HA 0.116 4.755 4.640 -0.001 0.000 0.239 120 D C 0.557 176.877 176.300 0.032 0.000 1.267 120 D CA -0.497 53.521 54.000 0.030 0.000 0.823 120 D CB -0.332 40.483 40.800 0.025 0.000 1.056 120 D HN 0.143 nan 8.370 nan 0.000 0.494 121 L N 0.846 122.088 121.223 0.032 0.000 2.525 121 L HA 0.046 4.385 4.340 -0.001 0.000 0.278 121 L C 0.851 177.760 176.870 0.064 0.000 1.218 121 L CA 0.094 54.957 54.840 0.038 0.000 0.878 121 L CB 0.314 42.393 42.059 0.033 0.000 1.127 121 L HN 0.019 nan 8.230 nan 0.000 0.492 122 D N 5.678 126.134 120.400 0.093 0.000 2.479 122 D HA -0.012 4.627 4.640 -0.001 0.000 0.257 122 D C -1.532 174.863 176.300 0.158 0.000 1.230 122 D CA -1.045 53.053 54.000 0.164 0.000 0.912 122 D CB 1.227 42.225 40.800 0.330 0.000 1.130 122 D HN 0.270 nan 8.370 nan 0.000 0.515 123 P HA -0.001 nan 4.420 nan 0.000 0.241 123 P C 0.695 178.007 177.300 0.021 0.000 1.191 123 P CA 0.298 63.432 63.100 0.057 0.000 0.771 123 P CB 0.435 32.157 31.700 0.036 0.000 0.929 124 N N -1.448 117.251 118.700 -0.003 0.000 2.422 124 N HA 0.000 4.740 4.740 -0.001 0.000 0.181 124 N C 0.728 175.998 175.510 -0.400 0.000 1.080 124 N CA 0.800 53.725 53.050 -0.209 0.000 0.893 124 N CB 0.064 38.366 38.487 -0.309 0.000 0.973 124 N HN 0.292 nan 8.380 nan 0.000 0.456 125 Y N -1.110 119.203 120.300 0.022 0.000 2.494 125 Y HA 0.301 4.850 4.550 -0.001 0.000 0.271 125 Y C 0.427 176.347 175.900 0.033 0.000 1.113 125 Y CA -0.138 57.978 58.100 0.026 0.000 1.240 125 Y CB 0.963 39.436 38.460 0.022 0.000 1.268 125 Y HN -0.286 nan 8.280 nan 0.000 0.510 126 V N 2.643 122.665 119.914 0.180 0.000 2.294 126 V HA 0.141 4.260 4.120 -0.001 0.000 0.272 126 V C 0.648 176.790 176.094 0.080 0.000 1.027 126 V CA -0.148 62.224 62.300 0.121 0.000 0.823 126 V CB 1.002 32.883 31.823 0.097 0.000 1.030 126 V HN 0.347 nan 8.190 nan 0.000 0.457 127 L N 2.568 123.838 121.223 0.079 0.000 2.209 127 L HA 0.181 4.521 4.340 -0.001 0.000 0.207 127 L C 1.102 177.997 176.870 0.042 0.000 1.094 127 L CA 1.007 55.881 54.840 0.058 0.000 0.790 127 L CB 0.202 42.299 42.059 0.064 0.000 0.932 127 L HN 0.650 nan 8.230 nan 0.000 0.447 128 S N -1.785 113.932 115.700 0.029 0.000 2.596 128 S HA 0.624 5.094 4.470 -0.001 0.000 0.270 128 S C -1.137 173.432 174.600 -0.052 0.000 1.155 128 S CA -0.544 57.638 58.200 -0.031 0.000 0.827 128 S CB 2.022 65.152 63.200 -0.117 0.000 1.130 128 S HN -0.016 nan 8.310 nan 0.000 0.467 129 S N 1.457 117.126 115.700 -0.051 0.000 2.536 129 S HA 0.746 5.215 4.470 -0.001 0.000 0.287 129 S C -1.022 173.545 174.600 -0.056 0.000 1.101 129 S CA -0.789 57.383 58.200 -0.047 0.000 0.950 129 S CB 1.781 64.978 63.200 -0.006 0.000 1.056 129 S HN 0.715 nan 8.310 nan 0.000 0.481 130 R N 1.484 121.937 120.500 -0.079 0.000 2.604 130 R HA 0.670 5.009 4.340 -0.001 0.000 0.270 130 R C -2.351 173.887 176.300 -0.103 0.000 1.052 130 R CA -0.465 55.592 56.100 -0.071 0.000 0.902 130 R CB 1.385 31.615 30.300 -0.117 0.000 1.233 130 R HN 0.500 nan 8.270 nan 0.000 0.455 131 V N 4.640 124.489 119.914 -0.109 0.000 2.525 131 V HA 0.578 4.698 4.120 -0.001 0.000 0.299 131 V C -0.509 175.455 176.094 -0.216 0.000 1.034 131 V CA -0.766 61.356 62.300 -0.297 0.000 0.863 131 V CB 1.609 33.098 31.823 -0.558 0.000 0.999 131 V HN 0.689 nan 8.190 nan 0.000 0.423 132 R N 2.699 123.104 120.500 -0.157 0.000 2.795 132 R HA 0.845 5.184 4.340 -0.001 0.000 0.275 132 R C -1.231 175.113 176.300 0.074 0.000 0.981 132 R CA -0.165 55.938 56.100 0.005 0.000 0.917 132 R CB 2.557 32.785 30.300 -0.120 0.000 1.202 132 R HN 0.737 nan 8.270 nan 0.000 0.469 133 T N 0.367 115.001 114.554 0.134 0.000 2.792 133 T HA 0.653 5.002 4.350 -0.001 0.000 0.303 133 T C -1.280 173.375 174.700 -0.076 0.000 1.310 133 T CA -0.312 61.831 62.100 0.072 0.000 1.007 133 T CB 1.581 70.571 68.868 0.203 0.000 1.335 133 T HN 0.746 nan 8.240 nan 0.000 0.504 134 G N 1.643 110.365 108.800 -0.129 0.000 2.481 134 G HA2 0.763 4.722 3.960 -0.001 0.000 0.315 134 G HA3 0.763 4.722 3.960 -0.001 0.000 0.315 134 G C -1.472 173.234 174.900 -0.323 0.000 1.231 134 G CA -0.622 44.369 45.100 -0.181 0.000 0.968 134 G HN 0.612 nan 8.290 nan 0.000 0.482 135 R N -0.170 120.105 120.500 -0.376 0.000 2.740 135 R HA 0.691 5.031 4.340 -0.001 0.000 0.273 135 R C -1.070 175.071 176.300 -0.264 0.000 0.998 135 R CA -0.740 55.042 56.100 -0.530 0.000 0.900 135 R CB 2.096 31.694 30.300 -1.169 0.000 1.223 135 R HN 0.544 nan 8.270 nan 0.000 0.466 136 S N 1.631 117.251 115.700 -0.133 0.000 2.536 136 S HA 0.576 5.045 4.470 -0.001 0.000 0.298 136 S C -0.125 174.666 174.600 0.318 0.000 1.083 136 S CA -0.817 57.395 58.200 0.020 0.000 0.995 136 S CB 1.573 64.694 63.200 -0.132 0.000 1.058 136 S HN 0.306 nan 8.310 nan 0.000 0.488 137 I N 2.437 123.395 120.570 0.646 0.000 2.331 137 I HA 0.268 4.437 4.170 -0.001 0.000 0.292 137 I C 0.603 176.908 176.117 0.313 0.000 0.998 137 I CA -0.646 60.902 61.300 0.413 0.000 1.267 137 I CB 0.458 38.621 38.000 0.271 0.000 1.386 137 I HN 0.568 nan 8.210 nan 0.000 0.476 138 K N 4.013 124.560 120.400 0.245 0.000 2.524 138 K HA 0.176 4.496 4.320 -0.001 0.000 0.279 138 K C 1.102 177.788 176.600 0.143 0.000 0.993 138 K CA 0.893 57.288 56.287 0.179 0.000 1.030 138 K CB 0.199 32.787 32.500 0.146 0.000 0.891 138 K HN 0.980 nan 8.250 nan 0.000 0.488 139 G N 2.212 111.086 108.800 0.124 0.000 2.179 139 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.260 139 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.260 139 G C 0.054 175.012 174.900 0.096 0.000 0.977 139 G CA -0.099 45.058 45.100 0.095 0.000 0.641 139 G HN 0.548 nan 8.290 nan 0.000 0.533 140 I N 0.916 121.571 120.570 0.141 0.000 2.465 140 I HA 0.652 4.821 4.170 -0.001 0.000 0.291 140 I C 0.772 177.024 176.117 0.225 0.000 1.014 140 I CA -0.826 60.556 61.300 0.138 0.000 1.093 140 I CB 2.000 40.021 38.000 0.035 0.000 1.267 140 I HN 0.246 nan 8.210 nan 0.000 0.431 141 A N 6.776 129.689 122.820 0.154 0.000 2.483 141 A HA 0.399 4.719 4.320 -0.001 0.000 0.238 141 A C 0.077 177.774 177.584 0.187 0.000 1.070 141 A CA -0.059 52.056 52.037 0.130 0.000 0.770 141 A CB 0.192 19.248 19.000 0.094 0.000 1.008 141 A HN 0.681 nan 8.150 nan 0.000 0.497 142 L N 2.506 123.739 121.223 0.017 0.000 2.466 142 L HA 0.168 4.507 4.340 -0.001 0.000 0.257 142 L C -1.102 175.777 176.870 0.015 0.000 1.189 142 L CA -1.622 53.165 54.840 -0.088 0.000 0.813 142 L CB 0.220 42.158 42.059 -0.202 0.000 1.118 142 L HN 0.524 nan 8.230 nan 0.000 0.471 143 P HA -0.151 nan 4.420 nan 0.000 0.218 143 P C -1.502 175.853 177.300 0.093 0.000 1.154 143 P CA 1.548 64.700 63.100 0.086 0.000 0.872 143 P CB -1.068 30.680 31.700 0.081 0.000 0.790 144 P HA -0.128 nan 4.420 nan 0.000 0.225 144 P C 1.159 178.608 177.300 0.248 0.000 1.148 144 P CA 1.744 64.924 63.100 0.132 0.000 0.779 144 P CB -0.299 31.466 31.700 0.108 0.000 0.780 145 H N -1.897 117.187 119.070 0.023 0.000 3.622 145 H HA 0.146 4.701 4.556 -0.001 0.000 0.259 145 H C 0.105 175.484 175.328 0.085 0.000 1.145 145 H CA -0.550 55.556 56.048 0.098 0.000 1.178 145 H CB -0.411 29.343 29.762 -0.013 0.000 1.542 145 H HN 0.047 nan 8.280 nan 0.000 0.586 146 C N 2.456 121.792 119.300 0.059 0.000 2.611 146 C HA 0.525 4.985 4.460 -0.001 0.000 0.416 146 C C 1.312 176.292 174.990 -0.018 0.000 1.366 146 C CA -0.227 58.802 59.018 0.018 0.000 1.761 146 C CB -0.568 27.230 27.740 0.096 0.000 2.619 146 C HN 0.643 nan 8.230 nan 0.000 0.606 147 S N 3.642 119.313 115.700 -0.048 0.000 2.624 147 S HA 0.332 4.801 4.470 -0.001 0.000 0.263 147 S C 1.099 175.694 174.600 -0.008 0.000 1.287 147 S CA -0.465 57.713 58.200 -0.036 0.000 0.990 147 S CB 0.576 63.749 63.200 -0.045 0.000 0.950 147 S HN 0.874 nan 8.310 nan 0.000 0.561 148 R N 0.596 121.095 120.500 -0.001 0.000 2.105 148 R HA -0.060 4.279 4.340 -0.001 0.000 0.239 148 R C 2.466 178.761 176.300 -0.008 0.000 1.135 148 R CA 1.481 57.582 56.100 0.002 0.000 0.967 148 R CB -1.160 29.144 30.300 0.006 0.000 0.861 148 R HN 0.885 nan 8.270 nan 0.000 0.442 149 G N 0.831 109.625 108.800 -0.011 0.000 2.421 149 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.216 149 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.216 149 G C 1.095 175.981 174.900 -0.024 0.000 1.171 149 G CA 0.533 45.624 45.100 -0.016 0.000 0.775 149 G HN 0.333 nan 8.290 nan 0.000 0.543 150 E N -0.129 120.057 120.200 -0.024 0.000 2.031 150 E HA -0.130 4.220 4.350 -0.001 0.000 0.193 150 E C 2.542 179.109 176.600 -0.055 0.000 0.994 150 E CA 0.688 57.067 56.400 -0.035 0.000 0.800 150 E CB -0.163 29.526 29.700 -0.019 0.000 0.752 150 E HN 0.321 nan 8.360 nan 0.000 0.447 151 R N 1.029 121.509 120.500 -0.032 0.000 2.091 151 R HA -0.151 4.188 4.340 -0.001 0.000 0.238 151 R C 2.279 178.556 176.300 -0.039 0.000 1.136 151 R CA 1.435 57.518 56.100 -0.030 0.000 0.959 151 R CB 0.014 30.314 30.300 -0.001 0.000 0.856 151 R HN 0.029 nan 8.270 nan 0.000 0.437 152 R N -0.027 120.454 120.500 -0.032 0.000 2.115 152 R HA -0.116 4.223 4.340 -0.001 0.000 0.230 152 R C 2.247 178.517 176.300 -0.050 0.000 1.111 152 R CA 1.032 57.113 56.100 -0.031 0.000 0.976 152 R CB -0.332 29.955 30.300 -0.022 0.000 0.870 152 R HN 0.173 nan 8.270 nan 0.000 0.445 153 L N 0.532 121.721 121.223 -0.057 0.000 2.017 153 L HA -0.134 4.205 4.340 -0.001 0.000 0.208 153 L C 1.967 178.786 176.870 -0.085 0.000 1.073 153 L CA 1.666 56.465 54.840 -0.069 0.000 0.745 153 L CB -0.535 41.486 42.059 -0.063 0.000 0.894 153 L HN -0.095 nan 8.230 nan 0.000 0.432 154 V N 0.119 119.973 119.914 -0.101 0.000 2.287 154 V HA -0.326 3.794 4.120 -0.001 0.000 0.248 154 V C 2.659 178.716 176.094 -0.062 0.000 1.053 154 V CA 2.071 64.315 62.300 -0.094 0.000 1.027 154 V CB -0.659 31.049 31.823 -0.192 0.000 0.646 154 V HN 0.653 nan 8.190 nan 0.000 0.447 155 E N 0.224 120.379 120.200 -0.076 0.000 2.058 155 E HA -0.319 4.030 4.350 -0.001 0.000 0.194 155 E C 2.312 178.794 176.600 -0.198 0.000 0.997 155 E CA 1.934 58.261 56.400 -0.122 0.000 0.801 155 E CB -0.138 29.528 29.700 -0.057 0.000 0.746 155 E HN 0.574 nan 8.360 nan 0.000 0.450 156 K N 0.337 120.654 120.400 -0.139 0.000 2.026 156 K HA -0.136 4.183 4.320 -0.001 0.000 0.208 156 K C 2.325 178.814 176.600 -0.184 0.000 1.048 156 K CA 1.202 57.402 56.287 -0.147 0.000 0.929 156 K CB -0.134 32.304 32.500 -0.105 0.000 0.713 156 K HN 0.170 nan 8.250 nan 0.000 0.439 157 L N 0.586 121.699 121.223 -0.183 0.000 2.043 157 L HA -0.315 4.025 4.340 -0.001 0.000 0.212 157 L C 2.653 179.325 176.870 -0.329 0.000 1.075 157 L CA 1.355 56.020 54.840 -0.292 0.000 0.752 157 L CB -0.540 41.360 42.059 -0.265 0.000 0.891 157 L HN 0.437 nan 8.230 nan 0.000 0.432 158 C N -0.347 118.861 119.300 -0.152 0.000 2.453 158 C HA -0.114 4.346 4.460 -0.001 0.000 0.277 158 C C 2.712 177.554 174.990 -0.247 0.000 1.262 158 C CA 0.166 59.120 59.018 -0.107 0.000 1.718 158 C CB -0.573 27.114 27.740 -0.089 0.000 2.031 158 C HN 0.414 nan 8.230 nan 0.000 0.480 159 I N 1.364 121.749 120.570 -0.309 0.000 2.127 159 I HA -0.230 3.939 4.170 -0.001 0.000 0.241 159 I C 2.119 178.152 176.117 -0.141 0.000 1.075 159 I CA 1.752 62.908 61.300 -0.239 0.000 1.334 159 I CB -0.561 37.304 38.000 -0.226 0.000 1.040 159 I HN 0.354 nan 8.210 nan 0.000 0.405 160 D N 0.610 120.911 120.400 -0.166 0.000 2.123 160 D HA -0.082 4.557 4.640 -0.001 0.000 0.200 160 D C 2.138 178.335 176.300 -0.171 0.000 0.976 160 D CA 1.423 55.337 54.000 -0.144 0.000 0.831 160 D CB -0.535 40.172 40.800 -0.155 0.000 0.974 160 D HN 0.373 nan 8.370 nan 0.000 0.469 161 G N 0.900 109.547 108.800 -0.256 0.000 2.414 161 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.215 161 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.215 161 G C 1.691 176.475 174.900 -0.194 0.000 1.188 161 G CA 0.184 45.118 45.100 -0.277 0.000 0.783 161 G HN 0.240 nan 8.290 nan 0.000 0.537 162 L N 0.868 121.942 121.223 -0.249 0.000 2.275 162 L HA 0.054 4.393 4.340 -0.001 0.000 0.215 162 L C 3.080 179.877 176.870 -0.121 0.000 1.119 162 L CA 0.587 55.185 54.840 -0.403 0.000 0.790 162 L CB -0.238 41.210 42.059 -1.018 0.000 0.919 162 L HN 0.301 nan 8.230 nan 0.000 0.443 163 A N -0.183 122.624 122.820 -0.021 0.000 2.239 163 A HA -0.081 4.238 4.320 -0.001 0.000 0.209 163 A C 2.067 179.691 177.584 0.067 0.000 1.171 163 A CA 1.465 53.558 52.037 0.093 0.000 0.768 163 A CB -0.667 18.365 19.000 0.054 0.000 0.790 163 A HN 0.495 nan 8.150 nan 0.000 0.478 164 T N -3.072 111.494 114.554 0.019 0.000 3.023 164 T HA 0.397 4.747 4.350 -0.001 0.000 0.253 164 T C 0.474 175.200 174.700 0.044 0.000 1.038 164 T CA -0.319 61.790 62.100 0.015 0.000 0.962 164 T CB -0.351 68.498 68.868 -0.032 0.000 1.018 164 T HN 0.191 nan 8.240 nan 0.000 0.521 165 L N 3.455 124.726 121.223 0.080 0.000 2.456 165 L HA 0.391 4.730 4.340 -0.001 0.000 0.272 165 L C 0.830 177.827 176.870 0.212 0.000 1.189 165 L CA -0.085 54.840 54.840 0.141 0.000 0.846 165 L CB 0.646 42.835 42.059 0.217 0.000 1.111 165 L HN 0.441 nan 8.230 nan 0.000 0.475 166 T N -0.720 113.956 114.554 0.203 0.000 2.831 166 T HA 0.785 5.135 4.350 -0.001 0.000 0.287 166 T C 0.349 175.172 174.700 0.205 0.000 1.070 166 T CA -0.146 62.061 62.100 0.179 0.000 1.010 166 T CB 1.727 70.660 68.868 0.108 0.000 1.264 166 T HN 0.942 nan 8.240 nan 0.000 0.532 167 G N 1.381 110.259 108.800 0.129 0.000 2.550 167 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.277 167 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.277 167 G C 0.806 175.729 174.900 0.039 0.000 1.190 167 G CA 0.985 46.135 45.100 0.083 0.000 0.971 167 G HN 1.387 nan 8.290 nan 0.000 0.559 168 E N 0.322 120.473 120.200 -0.081 0.000 2.401 168 E HA 0.035 4.384 4.350 -0.001 0.000 0.199 168 E C 1.828 178.230 176.600 -0.330 0.000 1.023 168 E CA 1.558 57.805 56.400 -0.256 0.000 0.859 168 E CB -0.218 29.223 29.700 -0.432 0.000 0.780 168 E HN 0.543 nan 8.360 nan 0.000 0.523 169 F N 0.916 120.929 119.950 0.106 0.000 2.693 169 F HA 0.170 4.696 4.527 -0.001 0.000 0.303 169 F C 0.900 176.925 175.800 0.375 0.000 1.097 169 F CA -0.701 57.444 58.000 0.241 0.000 1.330 169 F CB 0.357 39.434 39.000 0.128 0.000 1.067 169 F HN -0.016 nan 8.300 nan 0.000 0.565 170 Q N 1.836 121.833 119.800 0.330 0.000 2.274 170 Q HA 0.455 4.794 4.340 -0.001 0.000 0.280 170 Q C 0.032 176.167 176.000 0.224 0.000 1.047 170 Q CA 0.360 56.331 55.803 0.281 0.000 0.907 170 Q CB 0.717 29.545 28.738 0.150 0.000 1.171 170 Q HN 0.382 nan 8.270 nan 0.000 0.381 171 G N 2.949 111.916 108.800 0.278 0.000 2.815 171 G HA2 0.715 4.675 3.960 -0.001 0.000 0.305 171 G HA3 0.715 4.675 3.960 -0.001 0.000 0.305 171 G C -1.479 173.375 174.900 -0.076 0.000 1.277 171 G CA -0.955 44.066 45.100 -0.132 0.000 0.795 171 G HN 0.533 nan 8.290 nan 0.000 0.528 172 K N -1.060 119.060 120.400 -0.467 0.000 2.532 172 K HA 0.447 4.767 4.320 -0.001 0.000 0.265 172 K C -2.078 174.348 176.600 -0.289 0.000 0.948 172 K CA -0.786 55.344 56.287 -0.262 0.000 0.842 172 K CB 2.922 35.207 32.500 -0.359 0.000 1.392 172 K HN 0.494 nan 8.250 nan 0.000 0.436 173 Y N 1.378 121.586 120.300 -0.153 0.000 2.360 173 Y HA 0.426 4.976 4.550 -0.001 0.000 0.337 173 Y C -1.513 174.226 175.900 -0.267 0.000 1.039 173 Y CA -0.747 57.372 58.100 0.033 0.000 1.109 173 Y CB 0.882 39.462 38.460 0.200 0.000 1.201 173 Y HN 0.467 nan 8.280 nan 0.000 0.458 174 Y N 7.018 126.909 120.300 -0.682 0.000 2.447 174 Y HA 0.411 4.960 4.550 -0.001 0.000 0.325 174 Y C -2.448 172.964 175.900 -0.813 0.000 0.976 174 Y CA -3.268 54.489 58.100 -0.571 0.000 1.280 174 Y CB 0.887 39.158 38.460 -0.316 0.000 1.104 174 Y HN 0.506 nan 8.280 nan 0.000 0.486 175 P HA 0.105 nan 4.420 nan 0.000 0.271 175 P C 1.015 178.212 177.300 -0.172 0.000 1.216 175 P CA -0.119 62.764 63.100 -0.363 0.000 0.776 175 P CB 1.255 32.905 31.700 -0.084 0.000 0.881 176 L N 1.832 122.979 121.223 -0.127 0.000 2.089 176 L HA -0.264 4.075 4.340 -0.001 0.000 0.213 176 L C 2.287 179.117 176.870 -0.066 0.000 1.079 176 L CA 2.466 57.244 54.840 -0.103 0.000 0.758 176 L CB -1.131 40.863 42.059 -0.107 0.000 0.891 176 L HN 0.462 nan 8.230 nan 0.000 0.433 177 S N -1.061 114.605 115.700 -0.058 0.000 2.469 177 S HA -0.131 4.339 4.470 -0.001 0.000 0.238 177 S C 1.862 176.448 174.600 -0.023 0.000 0.998 177 S CA 1.048 59.229 58.200 -0.032 0.000 0.957 177 S CB -0.416 62.769 63.200 -0.024 0.000 0.764 177 S HN 0.583 nan 8.310 nan 0.000 0.514 178 S N 0.219 115.901 115.700 -0.030 0.000 2.575 178 S HA 0.378 4.847 4.470 -0.001 0.000 0.215 178 S C 0.404 175.006 174.600 0.004 0.000 0.966 178 S CA -0.567 57.625 58.200 -0.013 0.000 0.911 178 S CB -0.471 62.716 63.200 -0.021 0.000 0.780 178 S HN 0.486 nan 8.310 nan 0.000 0.514 179 M N 2.852 122.445 119.600 -0.011 0.000 2.294 179 M HA 0.410 4.890 4.480 -0.001 0.000 0.335 179 M C -0.069 176.220 176.300 -0.018 0.000 1.079 179 M CA -0.599 54.692 55.300 -0.016 0.000 0.982 179 M CB 2.173 34.746 32.600 -0.046 0.000 1.651 179 M HN 0.245 nan 8.290 nan 0.000 0.437 180 S N 0.528 116.219 115.700 -0.014 0.000 2.573 180 S HA 0.050 4.519 4.470 -0.001 0.000 0.277 180 S C 0.503 175.092 174.600 -0.018 0.000 1.346 180 S CA -0.548 57.645 58.200 -0.012 0.000 1.034 180 S CB 0.635 63.829 63.200 -0.011 0.000 0.879 180 S HN 0.703 nan 8.310 nan 0.000 0.528 181 D N 1.547 121.940 120.400 -0.011 0.000 2.265 181 D HA -0.089 4.550 4.640 -0.001 0.000 0.208 181 D C 2.011 178.297 176.300 -0.024 0.000 0.977 181 D CA 1.520 55.513 54.000 -0.012 0.000 0.871 181 D CB -0.423 40.375 40.800 -0.003 0.000 0.925 181 D HN 0.715 nan 8.370 nan 0.000 0.485 182 A N 1.171 123.977 122.820 -0.023 0.000 1.874 182 A HA -0.142 4.177 4.320 -0.001 0.000 0.214 182 A C 2.089 179.651 177.584 -0.037 0.000 1.189 182 A CA 0.948 52.968 52.037 -0.027 0.000 0.615 182 A CB -0.345 18.643 19.000 -0.021 0.000 0.830 182 A HN 0.120 nan 8.150 nan 0.000 0.443 183 E N -0.318 119.859 120.200 -0.038 0.000 2.110 183 E HA -0.214 4.135 4.350 -0.001 0.000 0.193 183 E C 2.264 178.822 176.600 -0.070 0.000 0.988 183 E CA 1.197 57.566 56.400 -0.051 0.000 0.804 183 E CB -0.159 29.511 29.700 -0.050 0.000 0.745 183 E HN 0.682 nan 8.360 nan 0.000 0.458 184 Q N 0.252 120.009 119.800 -0.072 0.000 2.020 184 Q HA -0.192 4.147 4.340 -0.001 0.000 0.202 184 Q C 2.316 178.260 176.000 -0.092 0.000 0.982 184 Q CA 1.007 56.752 55.803 -0.097 0.000 0.838 184 Q CB 0.026 28.714 28.738 -0.084 0.000 0.899 184 Q HN 0.199 nan 8.270 nan 0.000 0.423 185 Q N 0.310 120.069 119.800 -0.069 0.000 2.135 185 Q HA -0.214 4.125 4.340 -0.001 0.000 0.204 185 Q C 1.930 177.886 176.000 -0.073 0.000 0.981 185 Q CA 1.416 57.179 55.803 -0.067 0.000 0.856 185 Q CB -0.174 28.533 28.738 -0.051 0.000 0.902 185 Q HN 0.279 nan 8.270 nan 0.000 0.425 186 Q N 0.306 120.068 119.800 -0.063 0.000 2.079 186 Q HA -0.027 4.312 4.340 -0.001 0.000 0.200 186 Q C 2.023 177.994 176.000 -0.049 0.000 0.974 186 Q CA 1.068 56.837 55.803 -0.057 0.000 0.840 186 Q CB -0.234 28.479 28.738 -0.042 0.000 0.898 186 Q HN 0.369 nan 8.270 nan 0.000 0.430 187 L N -0.546 120.652 121.223 -0.043 0.000 2.141 187 L HA -0.101 4.238 4.340 -0.001 0.000 0.209 187 L C 2.118 178.980 176.870 -0.013 0.000 1.094 187 L CA 0.744 55.592 54.840 0.013 0.000 0.763 187 L CB -0.227 41.803 42.059 -0.047 0.000 0.908 187 L HN 0.285 nan 8.230 nan 0.000 0.437 188 I N -0.572 119.948 120.570 -0.083 0.000 2.286 188 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 188 I C 1.978 177.991 176.117 -0.173 0.000 1.104 188 I CA 0.977 62.217 61.300 -0.099 0.000 1.397 188 I CB -0.274 37.667 38.000 -0.098 0.000 1.072 188 I HN 0.230 nan 8.210 nan 0.000 0.417 189 D N 0.867 121.152 120.400 -0.192 0.000 2.178 189 D HA -0.166 4.474 4.640 -0.001 0.000 0.201 189 D C 1.325 177.286 176.300 -0.566 0.000 0.980 189 D CA 1.198 55.029 54.000 -0.282 0.000 0.842 189 D CB -0.290 40.408 40.800 -0.170 0.000 0.948 189 D HN 0.342 nan 8.370 nan 0.000 0.472 190 D N -0.279 119.851 120.400 -0.450 0.000 2.349 190 D HA -0.032 4.607 4.640 -0.001 0.000 0.224 190 D C -0.113 175.679 176.300 -0.847 0.000 1.029 190 D CA 0.206 53.872 54.000 -0.556 0.000 0.879 190 D CB -0.060 40.620 40.800 -0.201 0.000 0.906 190 D HN 0.413 nan 8.370 nan 0.000 0.528 191 H N -2.686 116.213 119.070 -0.286 0.000 2.941 191 H HA -0.175 4.381 4.556 -0.001 0.000 0.279 191 H C 0.430 175.672 175.328 -0.144 0.000 1.247 191 H CA 0.255 56.191 56.048 -0.186 0.000 1.129 191 H CB -2.173 27.474 29.762 -0.191 0.000 1.313 191 H HN 0.141 nan 8.280 nan 0.000 0.384 192 F N -0.713 119.344 119.950 0.179 0.000 2.602 192 F HA 0.322 4.848 4.527 -0.001 0.000 0.284 192 F C 1.041 177.064 175.800 0.372 0.000 1.111 192 F CA -0.021 58.110 58.000 0.218 0.000 1.405 192 F CB 0.507 39.531 39.000 0.041 0.000 1.121 192 F HN 0.161 nan 8.300 nan 0.000 0.603 193 L N 0.088 121.490 121.223 0.298 0.000 2.330 193 L HA 0.507 4.847 4.340 -0.001 0.000 0.271 193 L C -0.601 176.071 176.870 -0.329 0.000 1.013 193 L CA -1.278 53.497 54.840 -0.109 0.000 0.816 193 L CB 1.011 42.903 42.059 -0.279 0.000 1.287 193 L HN 0.005 nan 8.230 nan 0.000 0.435 194 F N 0.340 119.822 119.950 -0.781 0.000 2.375 194 F HA 0.574 5.100 4.527 -0.001 0.000 0.333 194 F C 0.171 175.811 175.800 -0.268 0.000 1.104 194 F CA -0.689 56.883 58.000 -0.713 0.000 1.149 194 F CB 0.200 38.515 39.000 -1.142 0.000 1.190 194 F HN 0.458 nan 8.300 nan 0.000 0.533 195 D N 0.947 121.364 120.400 0.028 0.000 2.478 195 D HA 0.190 4.830 4.640 -0.001 0.000 0.263 195 D C -0.990 175.374 176.300 0.107 0.000 1.153 195 D CA -0.713 53.300 54.000 0.023 0.000 1.038 195 D CB 1.405 42.193 40.800 -0.019 0.000 1.120 195 D HN 0.705 nan 8.370 nan 0.000 0.564 196 K N 0.960 121.326 120.400 -0.057 0.000 2.368 196 K HA 0.217 4.536 4.320 -0.001 0.000 0.282 196 K C -2.159 174.171 176.600 -0.449 0.000 1.035 196 K CA -1.139 54.853 56.287 -0.492 0.000 0.973 196 K CB 0.507 32.696 32.500 -0.519 0.000 0.957 196 K HN 0.166 nan 8.250 nan 0.000 0.474 197 P HA -0.051 nan 4.420 nan 0.000 0.266 197 P C 0.080 177.228 177.300 -0.253 0.000 1.195 197 P CA 0.280 63.192 63.100 -0.315 0.000 0.768 197 P CB 0.349 31.878 31.700 -0.284 0.000 0.838 198 I N -1.605 118.881 120.570 -0.140 0.000 4.770 198 I HA 0.172 4.341 4.170 -0.001 0.000 0.327 198 I C 0.671 176.752 176.117 -0.060 0.000 1.271 198 I CA -0.091 61.150 61.300 -0.100 0.000 1.320 198 I CB -0.043 37.911 38.000 -0.076 0.000 1.319 198 I HN 0.169 nan 8.210 nan 0.000 0.462 199 S N 4.244 119.918 115.700 -0.043 0.000 2.629 199 S HA 0.125 4.594 4.470 -0.001 0.000 0.302 199 S C -1.143 173.446 174.600 -0.018 0.000 1.244 199 S CA -0.732 57.458 58.200 -0.018 0.000 1.098 199 S CB 0.301 63.501 63.200 0.001 0.000 0.858 199 S HN 0.177 nan 8.310 nan 0.000 0.502 200 P HA -0.102 nan 4.420 nan 0.000 0.221 200 P C 1.324 178.620 177.300 -0.006 0.000 1.145 200 P CA 0.978 64.069 63.100 -0.015 0.000 0.795 200 P CB -0.008 31.681 31.700 -0.019 0.000 0.775 201 L N -1.628 119.596 121.223 0.001 0.000 2.056 201 L HA -0.134 4.206 4.340 -0.001 0.000 0.207 201 L C 2.577 179.462 176.870 0.024 0.000 1.078 201 L CA 1.327 56.176 54.840 0.014 0.000 0.749 201 L CB -0.999 41.075 42.059 0.025 0.000 0.901 201 L HN -0.028 nan 8.230 nan 0.000 0.433 202 L N -0.422 120.812 121.223 0.019 0.000 2.005 202 L HA -0.203 4.136 4.340 -0.001 0.000 0.207 202 L C 2.582 179.465 176.870 0.022 0.000 1.072 202 L CA 1.122 55.976 54.840 0.024 0.000 0.744 202 L CB -0.512 41.551 42.059 0.007 0.000 0.895 202 L HN 0.226 nan 8.230 nan 0.000 0.433 203 L N -0.062 121.161 121.223 -0.000 0.000 2.081 203 L HA -0.237 4.102 4.340 -0.001 0.000 0.212 203 L C 2.730 179.612 176.870 0.020 0.000 1.080 203 L CA 1.313 56.153 54.840 0.000 0.000 0.754 203 L CB -0.852 41.194 42.059 -0.021 0.000 0.893 203 L HN 0.289 nan 8.230 nan 0.000 0.433 204 A N -0.185 122.646 122.820 0.018 0.000 2.168 204 A HA -0.117 4.202 4.320 -0.001 0.000 0.215 204 A C 2.416 180.024 177.584 0.040 0.000 1.152 204 A CA 1.425 53.475 52.037 0.020 0.000 0.716 204 A CB -0.389 18.616 19.000 0.008 0.000 0.794 204 A HN 0.537 nan 8.150 nan 0.000 0.465 205 S N -2.160 113.577 115.700 0.061 0.000 2.501 205 S HA 0.363 4.832 4.470 -0.001 0.000 0.220 205 S C 1.439 176.118 174.600 0.133 0.000 0.997 205 S CA 1.078 59.338 58.200 0.100 0.000 0.919 205 S CB -0.192 63.070 63.200 0.103 0.000 0.778 205 S HN 1.824 nan 8.310 nan 0.000 0.523 206 G N 1.664 110.529 108.800 0.108 0.000 2.141 206 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.231 206 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.231 206 G C 0.556 175.540 174.900 0.140 0.000 0.984 206 G CA 0.402 45.578 45.100 0.127 0.000 0.660 206 G HN 0.760 nan 8.290 nan 0.000 0.525 207 M N -0.794 118.882 119.600 0.126 0.000 2.492 207 M HA 0.669 5.149 4.480 -0.001 0.000 0.262 207 M C 2.059 178.472 176.300 0.189 0.000 1.090 207 M CA 2.065 57.450 55.300 0.140 0.000 1.110 207 M CB -0.177 32.490 32.600 0.113 0.000 1.407 207 M HN 0.811 nan 8.290 nan 0.000 0.470 208 A N 0.402 123.318 122.820 0.160 0.000 2.251 208 A HA 0.242 4.562 4.320 -0.001 0.000 0.209 208 A C 0.993 178.745 177.584 0.280 0.000 1.187 208 A CA -0.310 51.853 52.037 0.210 0.000 0.823 208 A CB -0.518 18.495 19.000 0.022 0.000 0.846 208 A HN 0.510 nan 8.150 nan 0.000 0.486 209 R N 0.936 121.561 120.500 0.209 0.000 2.758 209 R HA 0.064 4.404 4.340 -0.001 0.000 0.263 209 R C -0.068 176.348 176.300 0.194 0.000 1.010 209 R CA 0.635 56.840 56.100 0.175 0.000 1.114 209 R CB 0.051 30.431 30.300 0.133 0.000 0.985 209 R HN 0.418 nan 8.270 nan 0.000 0.439 210 D N -0.362 120.128 120.400 0.150 0.000 2.931 210 D HA -0.272 4.368 4.640 -0.001 0.000 0.228 210 D C -0.448 175.926 176.300 0.124 0.000 1.180 210 D CA 0.981 55.048 54.000 0.112 0.000 0.784 210 D CB -0.795 40.043 40.800 0.062 0.000 1.093 210 D HN 0.523 nan 8.370 nan 0.000 0.421 211 W N 2.155 123.485 121.300 0.049 0.000 2.253 211 W HA 0.144 4.803 4.660 -0.001 0.000 0.322 211 W C -1.321 175.229 176.519 0.051 0.000 1.342 211 W CA -1.337 56.042 57.345 0.057 0.000 1.218 211 W CB 0.435 29.928 29.460 0.055 0.000 1.205 211 W HN -0.079 nan 8.180 nan 0.000 0.551 212 P HA -0.129 nan 4.420 nan 0.000 0.222 212 P C 0.305 177.333 177.300 -0.453 0.000 1.147 212 P CA 0.835 63.533 63.100 -0.671 0.000 0.790 212 P CB -0.130 31.433 31.700 -0.228 0.000 0.780 213 D N 0.417 120.691 120.400 -0.211 0.000 2.658 213 D HA 0.006 4.645 4.640 -0.001 0.000 0.230 213 D C 1.362 177.586 176.300 -0.127 0.000 1.118 213 D CA 1.865 55.792 54.000 -0.122 0.000 0.848 213 D CB 0.070 40.841 40.800 -0.048 0.000 1.160 213 D HN 0.287 nan 8.370 nan 0.000 0.497 214 G N 3.394 112.158 108.800 -0.060 0.000 2.179 214 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.260 214 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.260 214 G C 0.421 175.327 174.900 0.010 0.000 0.977 214 G CA 0.392 45.484 45.100 -0.013 0.000 0.641 214 G HN 0.570 nan 8.290 nan 0.000 0.533 215 R N 0.152 120.606 120.500 -0.076 0.000 2.540 215 R HA 0.764 5.103 4.340 -0.001 0.000 0.287 215 R C 0.720 177.103 176.300 0.138 0.000 0.980 215 R CA 0.722 56.811 56.100 -0.018 0.000 0.966 215 R CB 1.752 31.854 30.300 -0.330 0.000 1.106 215 R HN 0.989 nan 8.270 nan 0.000 0.480 216 G N 0.470 109.472 108.800 0.337 0.000 2.342 216 G HA2 0.386 4.345 3.960 -0.001 0.000 0.297 216 G HA3 0.386 4.345 3.960 -0.001 0.000 0.297 216 G C -1.830 173.311 174.900 0.402 0.000 1.313 216 G CA -0.645 44.560 45.100 0.175 0.000 0.830 216 G HN 0.530 nan 8.290 nan 0.000 0.506 217 I N -0.493 120.192 120.570 0.193 0.000 2.619 217 I HA 0.715 4.885 4.170 -0.001 0.000 0.292 217 I C -1.776 174.627 176.117 0.476 0.000 1.100 217 I CA -1.220 60.339 61.300 0.433 0.000 1.043 217 I CB 2.032 40.212 38.000 0.299 0.000 1.239 217 I HN 0.777 nan 8.210 nan 0.000 0.420 218 W N 8.279 129.851 121.300 0.453 0.000 2.573 218 W HA 0.641 5.301 4.660 -0.001 0.000 0.326 218 W C -1.400 175.285 176.519 0.276 0.000 1.049 218 W CA -0.020 57.538 57.345 0.355 0.000 1.220 218 W CB 0.888 30.569 29.460 0.368 0.000 1.373 218 W HN 0.651 nan 8.180 nan 0.000 0.507 219 H N 1.635 120.290 119.070 -0.691 0.000 3.046 219 H HA 0.365 4.920 4.556 -0.001 0.000 0.361 219 H C -0.719 173.975 175.328 -1.057 0.000 1.235 219 H CA -1.317 54.304 56.048 -0.711 0.000 1.146 219 H CB 0.375 29.968 29.762 -0.281 0.000 1.859 219 H HN 0.581 nan 8.280 nan 0.000 0.548 220 N N 1.055 119.477 118.700 -0.464 0.000 2.354 220 N HA -0.009 4.731 4.740 -0.001 0.000 0.246 220 N C -0.083 175.410 175.510 -0.027 0.000 1.285 220 N CA -0.633 52.290 53.050 -0.211 0.000 0.925 220 N CB 0.797 39.320 38.487 0.061 0.000 1.174 220 N HN 0.564 nan 8.380 nan 0.000 0.478 221 N N 0.751 119.441 118.700 -0.016 0.000 2.094 221 N HA -0.155 4.584 4.740 -0.001 0.000 0.191 221 N C 0.457 175.933 175.510 -0.056 0.000 1.023 221 N CA 1.299 54.348 53.050 -0.000 0.000 0.857 221 N CB -0.501 37.986 38.487 0.000 0.000 1.013 221 N HN 0.606 nan 8.380 nan 0.000 0.426 222 D N 0.705 121.067 120.400 -0.063 0.000 2.363 222 D HA -0.004 4.635 4.640 -0.001 0.000 0.226 222 D C 0.172 176.380 176.300 -0.154 0.000 1.020 222 D CA 0.248 54.198 54.000 -0.083 0.000 0.892 222 D CB 0.041 40.814 40.800 -0.045 0.000 0.900 222 D HN 0.259 nan 8.370 nan 0.000 0.531 223 K N -0.596 119.665 120.400 -0.232 0.000 3.035 223 K HA -0.176 4.143 4.320 -0.001 0.000 0.262 223 K C 0.831 177.333 176.600 -0.163 0.000 1.024 223 K CA 0.954 56.981 56.287 -0.434 0.000 0.748 223 K CB -2.002 29.887 32.500 -1.018 0.000 1.247 223 K HN 0.321 nan 8.250 nan 0.000 0.482 224 T N -2.824 111.743 114.554 0.022 0.000 3.022 224 T HA 0.189 4.538 4.350 -0.001 0.000 0.250 224 T C 0.093 174.971 174.700 0.297 0.000 1.060 224 T CA -0.147 62.039 62.100 0.144 0.000 1.013 224 T CB 0.124 69.053 68.868 0.102 0.000 0.982 224 T HN 0.213 nan 8.240 nan 0.000 0.508 225 F N 1.686 121.717 119.950 0.134 0.000 2.579 225 F HA 0.699 5.225 4.527 -0.001 0.000 0.325 225 F C -1.986 174.025 175.800 0.351 0.000 1.162 225 F CA -2.022 56.148 58.000 0.283 0.000 0.946 225 F CB 1.360 40.603 39.000 0.407 0.000 1.211 225 F HN -0.080 nan 8.300 nan 0.000 0.447 226 L N 5.678 126.838 121.223 -0.104 0.000 2.371 226 L HA 0.797 5.136 4.340 -0.001 0.000 0.262 226 L C -1.101 175.772 176.870 0.005 0.000 1.006 226 L CA -1.074 53.829 54.840 0.106 0.000 0.818 226 L CB 2.168 44.340 42.059 0.189 0.000 1.354 226 L HN 0.283 nan 8.230 nan 0.000 0.415 227 V N 0.177 120.302 119.914 0.351 0.000 2.447 227 V HA 0.353 4.472 4.120 -0.001 0.000 0.292 227 V C -1.180 175.234 176.094 0.533 0.000 1.021 227 V CA -0.508 61.956 62.300 0.273 0.000 0.850 227 V CB 1.312 33.275 31.823 0.235 0.000 1.005 227 V HN 0.551 nan 8.190 nan 0.000 0.426 228 W N 4.002 125.453 121.300 0.252 0.000 2.311 228 W HA 0.532 5.192 4.660 -0.001 0.000 0.310 228 W C -0.137 176.510 176.519 0.212 0.000 1.274 228 W CA -0.940 56.611 57.345 0.342 0.000 1.215 228 W CB 1.120 30.743 29.460 0.272 0.000 1.227 228 W HN 0.271 nan 8.180 nan 0.000 0.523 229 V N 4.533 124.739 119.914 0.487 0.000 2.370 229 V HA 0.183 4.302 4.120 -0.001 0.000 0.283 229 V C 0.299 176.487 176.094 0.157 0.000 1.023 229 V CA -1.110 61.369 62.300 0.299 0.000 0.857 229 V CB 0.591 32.624 31.823 0.349 0.000 0.985 229 V HN 0.743 nan 8.190 nan 0.000 0.443 230 N N 2.559 121.316 118.700 0.096 0.000 2.758 230 N HA -0.191 4.548 4.740 -0.001 0.000 0.248 230 N C 0.984 176.474 175.510 -0.034 0.000 1.076 230 N CA 0.993 54.074 53.050 0.052 0.000 0.696 230 N CB -0.303 38.205 38.487 0.035 0.000 0.979 230 N HN 0.899 nan 8.380 nan 0.000 0.550 231 E N 0.751 120.882 120.200 -0.115 0.000 2.275 231 E HA 0.065 4.415 4.350 -0.001 0.000 0.239 231 E C 0.808 177.408 176.600 -0.000 0.000 0.897 231 E CA 0.190 56.464 56.400 -0.210 0.000 1.044 231 E CB 0.255 29.485 29.700 -0.782 0.000 1.416 231 E HN 0.415 nan 8.360 nan 0.000 0.513 232 E N -0.004 120.207 120.200 0.018 0.000 2.318 232 E HA 0.045 4.395 4.350 -0.001 0.000 0.193 232 E C -0.207 176.413 176.600 0.034 0.000 0.998 232 E CA 0.340 56.772 56.400 0.053 0.000 0.859 232 E CB 0.553 30.300 29.700 0.078 0.000 0.812 232 E HN 0.185 nan 8.360 nan 0.000 0.492 233 D N -2.092 118.325 120.400 0.028 0.000 2.610 233 D HA 0.165 4.804 4.640 -0.001 0.000 0.271 233 D C 0.382 176.721 176.300 0.064 0.000 1.174 233 D CA -0.534 53.456 54.000 -0.018 0.000 0.949 233 D CB 0.832 41.597 40.800 -0.057 0.000 1.430 233 D HN -0.016 nan 8.370 nan 0.000 0.467 234 H N -0.370 118.693 119.070 -0.012 0.000 2.289 234 H HA -0.039 4.517 4.556 -0.001 0.000 0.294 234 H C 0.301 175.622 175.328 -0.012 0.000 1.095 234 H CA 0.975 57.021 56.048 -0.003 0.000 1.256 234 H CB 0.370 30.132 29.762 0.001 0.000 1.359 234 H HN -0.006 nan 8.280 nan 0.000 0.487 235 L N 0.570 121.827 121.223 0.056 0.000 2.408 235 L HA 0.451 4.790 4.340 -0.001 0.000 0.268 235 L C -0.489 176.339 176.870 -0.071 0.000 0.986 235 L CA -0.864 53.958 54.840 -0.030 0.000 0.820 235 L CB 2.287 44.234 42.059 -0.186 0.000 1.303 235 L HN 0.094 nan 8.230 nan 0.000 0.411 236 R N 2.931 123.429 120.500 -0.004 0.000 2.407 236 R HA 0.401 4.740 4.340 -0.001 0.000 0.298 236 R C -1.105 175.094 176.300 -0.167 0.000 1.166 236 R CA -0.592 55.469 56.100 -0.064 0.000 1.006 236 R CB 1.596 31.938 30.300 0.069 0.000 1.145 236 R HN 0.262 nan 8.270 nan 0.000 0.538 237 V N 5.312 125.100 119.914 -0.210 0.000 2.461 237 V HA 0.451 4.570 4.120 -0.001 0.000 0.275 237 V C 0.670 176.665 176.094 -0.165 0.000 1.047 237 V CA -0.284 61.859 62.300 -0.261 0.000 0.955 237 V CB 1.171 32.802 31.823 -0.320 0.000 0.988 237 V HN 0.504 nan 8.190 nan 0.000 0.471 238 I N 3.563 123.986 120.570 -0.246 0.000 2.647 238 I HA 0.520 4.689 4.170 -0.001 0.000 0.295 238 I C -0.287 175.864 176.117 0.057 0.000 1.078 238 I CA -0.282 60.968 61.300 -0.084 0.000 1.048 238 I CB 2.326 40.184 38.000 -0.237 0.000 1.239 238 I HN 0.585 nan 8.210 nan 0.000 0.421 239 S N 7.800 123.666 115.700 0.277 0.000 2.561 239 S HA 0.883 5.353 4.470 -0.001 0.000 0.303 239 S C -0.786 173.951 174.600 0.227 0.000 1.110 239 S CA -0.584 57.851 58.200 0.391 0.000 1.034 239 S CB 0.828 64.393 63.200 0.608 0.000 1.010 239 S HN 0.631 nan 8.310 nan 0.000 0.482 240 M N 3.396 123.122 119.600 0.211 0.000 2.534 240 M HA 0.604 5.084 4.480 -0.001 0.000 0.280 240 M C -2.148 174.243 176.300 0.151 0.000 1.217 240 M CA -0.743 54.643 55.300 0.143 0.000 0.893 240 M CB 1.973 34.640 32.600 0.111 0.000 1.730 240 M HN 0.574 nan 8.290 nan 0.000 0.483 241 Q N 0.578 120.436 119.800 0.098 0.000 2.534 241 Q HA 0.570 4.910 4.340 -0.001 0.000 0.290 241 Q C -1.631 174.399 176.000 0.050 0.000 0.991 241 Q CA -1.383 54.474 55.803 0.091 0.000 0.783 241 Q CB 1.953 30.741 28.738 0.082 0.000 1.470 241 Q HN 0.574 nan 8.270 nan 0.000 0.406 242 K N 0.676 121.110 120.400 0.057 0.000 2.295 242 K HA 0.608 4.927 4.320 -0.001 0.000 0.270 242 K C 0.594 177.216 176.600 0.038 0.000 1.011 242 K CA 1.161 57.472 56.287 0.040 0.000 0.953 242 K CB 0.679 33.208 32.500 0.048 0.000 0.956 242 K HN 0.925 nan 8.250 nan 0.000 0.477 243 G N 0.490 109.310 108.800 0.033 0.000 2.466 243 G HA2 -0.083 3.877 3.960 -0.001 0.000 0.316 243 G HA3 -0.083 3.877 3.960 -0.001 0.000 0.316 243 G C 0.302 175.224 174.900 0.037 0.000 1.270 243 G CA -0.309 44.813 45.100 0.036 0.000 0.982 243 G HN 0.633 nan 8.290 nan 0.000 0.506 244 G N -0.584 108.241 108.800 0.041 0.000 3.274 244 G HA2 0.292 4.252 3.960 -0.001 0.000 0.250 244 G HA3 0.292 4.252 3.960 -0.001 0.000 0.250 244 G C 0.428 175.350 174.900 0.037 0.000 1.024 244 G CA 0.691 45.815 45.100 0.040 0.000 0.840 244 G HN 0.703 nan 8.290 nan 0.000 0.522 245 N N 1.435 120.160 118.700 0.042 0.000 2.402 245 N HA 0.116 4.855 4.740 -0.001 0.000 0.259 245 N C 1.147 176.690 175.510 0.054 0.000 1.167 245 N CA -0.159 52.920 53.050 0.047 0.000 0.949 245 N CB 1.138 39.655 38.487 0.049 0.000 1.212 245 N HN 0.115 nan 8.380 nan 0.000 0.493 246 M N 4.397 124.025 119.600 0.048 0.000 2.466 246 M HA 0.111 4.590 4.480 -0.001 0.000 0.265 246 M C 1.763 178.121 176.300 0.096 0.000 1.122 246 M CA 1.196 56.524 55.300 0.046 0.000 1.157 246 M CB -0.013 32.585 32.600 -0.002 0.000 1.352 246 M HN 0.358 nan 8.290 nan 0.000 0.464 247 K N 0.250 120.705 120.400 0.092 0.000 2.020 247 K HA -0.255 4.064 4.320 -0.001 0.000 0.212 247 K C 2.060 178.759 176.600 0.165 0.000 1.050 247 K CA 2.178 58.546 56.287 0.135 0.000 0.929 247 K CB -0.258 32.300 32.500 0.096 0.000 0.714 247 K HN 0.571 nan 8.250 nan 0.000 0.443 248 E N -0.052 120.220 120.200 0.119 0.000 2.051 248 E HA -0.185 4.164 4.350 -0.001 0.000 0.192 248 E C 1.873 178.562 176.600 0.149 0.000 0.991 248 E CA 1.423 57.889 56.400 0.111 0.000 0.799 248 E CB 0.108 29.855 29.700 0.079 0.000 0.748 248 E HN 0.110 nan 8.360 nan 0.000 0.449 249 V N 0.903 120.913 119.914 0.160 0.000 2.231 249 V HA -0.274 3.845 4.120 -0.001 0.000 0.248 249 V C 2.193 178.468 176.094 0.302 0.000 1.054 249 V CA 2.127 64.546 62.300 0.198 0.000 1.015 249 V CB -0.728 31.180 31.823 0.142 0.000 0.638 249 V HN 0.365 nan 8.190 nan 0.000 0.444 250 F N 1.026 121.037 119.950 0.102 0.000 2.134 250 F HA -0.147 4.380 4.527 -0.001 0.000 0.299 250 F C 2.623 178.564 175.800 0.235 0.000 1.097 250 F CA 1.889 59.969 58.000 0.134 0.000 1.264 250 F CB -0.523 38.510 39.000 0.054 0.000 1.001 250 F HN -0.044 nan 8.300 nan 0.000 0.479 251 R N 1.011 121.614 120.500 0.172 0.000 2.080 251 R HA -0.215 4.124 4.340 -0.001 0.000 0.236 251 R C 2.481 178.824 176.300 0.071 0.000 1.137 251 R CA 2.051 58.184 56.100 0.054 0.000 0.943 251 R CB -0.864 29.490 30.300 0.090 0.000 0.846 251 R HN 0.331 nan 8.270 nan 0.000 0.431 252 R N -0.721 119.869 120.500 0.151 0.000 2.096 252 R HA -0.156 4.184 4.340 -0.001 0.000 0.235 252 R C 2.329 178.762 176.300 0.222 0.000 1.127 252 R CA 1.512 57.721 56.100 0.182 0.000 0.968 252 R CB -0.489 29.910 30.300 0.166 0.000 0.861 252 R HN 0.226 nan 8.270 nan 0.000 0.440 253 F N 0.878 120.916 119.950 0.147 0.000 2.046 253 F HA -0.307 4.219 4.527 -0.001 0.000 0.297 253 F C 2.277 178.096 175.800 0.031 0.000 1.123 253 F CA 1.867 59.992 58.000 0.208 0.000 1.199 253 F CB -0.718 38.385 39.000 0.171 0.000 0.972 253 F HN 0.063 nan 8.300 nan 0.000 0.474 254 C N -0.445 118.814 119.300 -0.068 0.000 2.432 254 C HA -0.144 4.316 4.460 -0.001 0.000 0.277 254 C C 2.876 177.737 174.990 -0.215 0.000 1.249 254 C CA 1.045 59.925 59.018 -0.231 0.000 1.725 254 C CB -1.229 26.310 27.740 -0.334 0.000 2.028 254 C HN 0.440 nan 8.230 nan 0.000 0.477 255 V N 1.290 121.107 119.914 -0.161 0.000 2.343 255 V HA -0.105 4.015 4.120 -0.001 0.000 0.247 255 V C 2.646 178.457 176.094 -0.472 0.000 1.051 255 V CA 2.452 64.634 62.300 -0.197 0.000 1.036 255 V CB -1.454 30.360 31.823 -0.015 0.000 0.654 255 V HN 0.670 nan 8.190 nan 0.000 0.451 256 G N -0.809 107.605 108.800 -0.642 0.000 2.402 256 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.216 256 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.216 256 G C 1.643 176.308 174.900 -0.392 0.000 1.162 256 G CA 0.771 45.204 45.100 -1.111 0.000 0.777 256 G HN 0.417 nan 8.290 nan 0.000 0.539 257 L N 0.164 121.242 121.223 -0.242 0.000 2.012 257 L HA -0.118 4.221 4.340 -0.001 0.000 0.210 257 L C 2.933 179.717 176.870 -0.143 0.000 1.073 257 L CA 1.773 56.487 54.840 -0.210 0.000 0.748 257 L CB -0.241 41.576 42.059 -0.404 0.000 0.891 257 L HN 0.233 nan 8.230 nan 0.000 0.431 258 K N 0.245 120.532 120.400 -0.187 0.000 2.147 258 K HA -0.208 4.111 4.320 -0.001 0.000 0.205 258 K C 2.055 178.557 176.600 -0.164 0.000 1.049 258 K CA 1.327 57.526 56.287 -0.146 0.000 0.936 258 K CB 0.089 32.501 32.500 -0.147 0.000 0.722 258 K HN 0.284 nan 8.250 nan 0.000 0.446 259 K N 0.416 120.667 120.400 -0.249 0.000 2.097 259 K HA -0.058 4.261 4.320 -0.001 0.000 0.205 259 K C 2.153 178.665 176.600 -0.147 0.000 1.050 259 K CA 1.256 57.394 56.287 -0.248 0.000 0.938 259 K CB -0.048 32.189 32.500 -0.438 0.000 0.718 259 K HN 0.181 nan 8.250 nan 0.000 0.442 260 I N 0.772 121.280 120.570 -0.103 0.000 2.252 260 I HA -0.234 3.935 4.170 -0.001 0.000 0.245 260 I C 2.546 178.697 176.117 0.056 0.000 1.102 260 I CA 1.145 62.465 61.300 0.032 0.000 1.385 260 I CB -0.181 37.848 38.000 0.048 0.000 1.064 260 I HN 0.267 nan 8.210 nan 0.000 0.414 261 E N 1.206 121.371 120.200 -0.057 0.000 2.077 261 E HA -0.256 4.094 4.350 -0.001 0.000 0.193 261 E C 1.661 178.122 176.600 -0.232 0.000 0.989 261 E CA 1.511 57.700 56.400 -0.351 0.000 0.800 261 E CB 0.116 29.681 29.700 -0.225 0.000 0.746 261 E HN 0.363 nan 8.360 nan 0.000 0.452 262 D N 0.500 120.819 120.400 -0.136 0.000 2.123 262 D HA -0.175 4.464 4.640 -0.001 0.000 0.196 262 D C 2.038 178.285 176.300 -0.088 0.000 0.992 262 D CA 1.098 55.031 54.000 -0.112 0.000 0.833 262 D CB -0.173 40.566 40.800 -0.102 0.000 0.954 262 D HN 0.348 nan 8.370 nan 0.000 0.455 263 I N -0.268 120.270 120.570 -0.054 0.000 2.202 263 I HA -0.234 3.935 4.170 -0.001 0.000 0.242 263 I C 2.228 178.286 176.117 -0.099 0.000 1.091 263 I CA 0.775 62.034 61.300 -0.069 0.000 1.368 263 I CB -0.295 37.673 38.000 -0.052 0.000 1.058 263 I HN -0.102 nan 8.210 nan 0.000 0.410 264 F N 0.488 120.307 119.950 -0.219 0.000 2.102 264 F HA -0.210 4.316 4.527 -0.001 0.000 0.298 264 F C 2.553 178.218 175.800 -0.225 0.000 1.105 264 F CA 1.408 59.269 58.000 -0.231 0.000 1.239 264 F CB -0.581 38.217 39.000 -0.338 0.000 0.991 264 F HN -0.224 nan 8.300 nan 0.000 0.474 265 V N 0.254 120.119 119.914 -0.081 0.000 2.324 265 V HA -0.370 3.750 4.120 -0.001 0.000 0.250 265 V C 2.330 178.372 176.094 -0.087 0.000 1.060 265 V CA 2.163 64.398 62.300 -0.107 0.000 1.042 265 V CB -0.604 31.136 31.823 -0.139 0.000 0.650 265 V HN 0.273 nan 8.190 nan 0.000 0.450 266 K N 0.084 120.428 120.400 -0.094 0.000 2.209 266 K HA -0.101 4.218 4.320 -0.001 0.000 0.204 266 K C 1.694 178.233 176.600 -0.100 0.000 1.048 266 K CA 1.364 57.597 56.287 -0.090 0.000 0.940 266 K CB -0.198 32.247 32.500 -0.093 0.000 0.729 266 K HN 0.486 nan 8.250 nan 0.000 0.451 267 A N -0.163 122.579 122.820 -0.131 0.000 2.337 267 A HA 0.268 4.587 4.320 -0.001 0.000 0.227 267 A C 1.132 178.651 177.584 -0.109 0.000 1.259 267 A CA 0.525 52.472 52.037 -0.150 0.000 0.870 267 A CB -0.282 18.566 19.000 -0.254 0.000 0.927 267 A HN 0.479 nan 8.150 nan 0.000 0.497 268 G N -0.320 108.434 108.800 -0.076 0.000 2.168 268 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.263 268 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.263 268 G C 0.225 175.113 174.900 -0.021 0.000 0.977 268 G CA 0.326 45.399 45.100 -0.045 0.000 0.659 268 G HN 0.513 nan 8.290 nan 0.000 0.533 269 R N 0.536 121.027 120.500 -0.015 0.000 2.358 269 R HA 0.543 4.882 4.340 -0.001 0.000 0.309 269 R C 0.575 176.936 176.300 0.102 0.000 1.026 269 R CA 0.141 56.279 56.100 0.063 0.000 0.909 269 R CB 1.298 31.650 30.300 0.086 0.000 1.153 269 R HN 0.294 nan 8.270 nan 0.000 0.515 270 G N 1.548 110.375 108.800 0.046 0.000 2.552 270 G HA2 0.538 4.498 3.960 -0.001 0.000 0.318 270 G HA3 0.538 4.498 3.960 -0.001 0.000 0.318 270 G C -0.679 174.265 174.900 0.074 0.000 1.240 270 G CA -0.463 44.594 45.100 -0.071 0.000 1.002 270 G HN 0.223 nan 8.290 nan 0.000 0.493 271 F N 0.101 120.103 119.950 0.088 0.000 2.384 271 F HA 0.422 4.948 4.527 -0.001 0.000 0.338 271 F C 1.095 177.021 175.800 0.209 0.000 1.103 271 F CA -1.028 57.036 58.000 0.108 0.000 1.157 271 F CB 1.111 40.165 39.000 0.090 0.000 1.167 271 F HN 0.056 nan 8.300 nan 0.000 0.529 272 M N 2.783 122.627 119.600 0.407 0.000 2.238 272 M HA 0.138 4.618 4.480 -0.001 0.000 0.350 272 M C -0.882 175.666 176.300 0.413 0.000 1.321 272 M CA 0.696 56.183 55.300 0.311 0.000 1.097 272 M CB 0.475 33.192 32.600 0.195 0.000 1.713 272 M HN 0.764 nan 8.290 nan 0.000 0.455 273 W N 4.535 125.885 121.300 0.083 0.000 3.153 273 W HA 0.470 5.129 4.660 -0.002 0.000 0.316 273 W C -1.882 174.605 176.519 -0.054 0.000 1.255 273 W CA -0.488 56.827 57.345 -0.050 0.000 1.192 273 W CB 1.274 30.654 29.460 -0.134 0.000 1.400 273 W HN 0.760 nan 8.180 nan 0.000 0.568 274 N N 0.404 118.567 118.700 -0.896 0.000 2.710 274 N HA 0.200 4.940 4.740 -0.001 0.000 0.257 274 N C -0.142 174.536 175.510 -1.388 0.000 1.327 274 N CA -0.352 52.257 53.050 -0.735 0.000 0.861 274 N CB 1.346 39.649 38.487 -0.305 0.000 1.532 274 N HN 0.563 nan 8.380 nan 0.000 0.499 275 E N -1.121 118.579 120.200 -0.833 0.000 2.409 275 E HA -0.243 4.106 4.350 -0.001 0.000 0.198 275 E C 0.589 177.040 176.600 -0.248 0.000 1.024 275 E CA 0.847 56.910 56.400 -0.562 0.000 0.861 275 E CB -0.229 29.388 29.700 -0.138 0.000 0.788 275 E HN 0.773 nan 8.360 nan 0.000 0.521 276 H N 0.512 119.381 119.070 -0.334 0.000 2.439 276 H HA 0.173 4.728 4.556 -0.001 0.000 0.299 276 H C 1.660 176.908 175.328 -0.133 0.000 1.033 276 H CA 0.453 56.414 56.048 -0.144 0.000 1.348 276 H CB 0.425 30.123 29.762 -0.108 0.000 1.449 276 H HN 0.180 nan 8.280 nan 0.000 0.544 277 L N 0.381 121.280 121.223 -0.540 0.000 2.693 277 L HA 0.260 4.600 4.340 -0.001 0.000 0.235 277 L C 1.377 177.799 176.870 -0.746 0.000 1.127 277 L CA 0.256 54.663 54.840 -0.722 0.000 0.914 277 L CB 0.700 42.312 42.059 -0.745 0.000 1.193 277 L HN 0.526 nan 8.230 nan 0.000 0.502 278 G N 0.249 108.555 108.800 -0.822 0.000 2.574 278 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.286 278 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.286 278 G C -0.404 174.030 174.900 -0.777 0.000 1.212 278 G CA -0.102 44.440 45.100 -0.930 0.000 0.979 278 G HN 0.094 nan 8.290 nan 0.000 0.557 279 Y N 0.530 120.753 120.300 -0.130 0.000 2.496 279 Y HA 0.403 4.952 4.550 -0.001 0.000 0.334 279 Y C 1.168 176.961 175.900 -0.179 0.000 1.080 279 Y CA -0.094 58.006 58.100 0.001 0.000 1.355 279 Y CB 0.865 39.356 38.460 0.052 0.000 1.193 279 Y HN 0.396 nan 8.280 nan 0.000 0.523 280 V N 6.680 126.604 119.914 0.017 0.000 2.455 280 V HA 0.265 4.384 4.120 -0.001 0.000 0.273 280 V C 0.185 176.268 176.094 -0.018 0.000 1.045 280 V CA -0.406 61.846 62.300 -0.079 0.000 0.976 280 V CB 0.191 32.002 31.823 -0.019 0.000 0.993 280 V HN 0.596 nan 8.190 nan 0.000 0.475 281 L N 3.182 124.385 121.223 -0.034 0.000 2.303 281 L HA 0.460 4.800 4.340 -0.001 0.000 0.256 281 L C 1.454 178.339 176.870 0.026 0.000 1.034 281 L CA -0.670 54.150 54.840 -0.032 0.000 0.832 281 L CB 1.984 44.015 42.059 -0.046 0.000 1.403 281 L HN 0.525 nan 8.230 nan 0.000 0.419 282 T N -1.102 113.440 114.554 -0.021 0.000 2.635 282 T HA -0.204 4.146 4.350 -0.001 0.000 0.267 282 T C 0.590 175.328 174.700 0.064 0.000 1.040 282 T CA 1.260 63.354 62.100 -0.009 0.000 1.156 282 T CB -0.153 68.704 68.868 -0.018 0.000 0.863 282 T HN 0.543 nan 8.240 nan 0.000 0.430 283 C N 3.551 122.899 119.300 0.081 0.000 2.307 283 C HA 0.393 4.852 4.460 -0.001 0.000 0.340 283 C C -1.246 173.836 174.990 0.153 0.000 1.275 283 C CA -2.325 56.768 59.018 0.125 0.000 1.811 283 C CB 0.888 28.687 27.740 0.099 0.000 2.372 283 C HN 0.307 nan 8.230 nan 0.000 0.531 284 P HA -0.138 nan 4.420 nan 0.000 0.219 284 P C 1.549 179.002 177.300 0.255 0.000 1.146 284 P CA 1.958 65.201 63.100 0.237 0.000 0.808 284 P CB -0.087 31.835 31.700 0.371 0.000 0.779 285 S N -1.501 114.304 115.700 0.174 0.000 2.447 285 S HA -0.127 4.342 4.470 -0.001 0.000 0.233 285 S C 1.601 176.337 174.600 0.227 0.000 1.006 285 S CA 0.877 59.175 58.200 0.163 0.000 0.957 285 S CB -1.278 61.961 63.200 0.065 0.000 0.773 285 S HN 0.208 nan 8.310 nan 0.000 0.507 286 N N 0.277 119.036 118.700 0.099 0.000 2.273 286 N HA 0.307 5.046 4.740 -0.001 0.000 0.231 286 N C -0.535 174.924 175.510 -0.086 0.000 1.134 286 N CA -0.221 52.840 53.050 0.019 0.000 0.856 286 N CB 0.129 38.628 38.487 0.019 0.000 1.068 286 N HN 0.401 nan 8.380 nan 0.000 0.510 287 L N -0.687 120.414 121.223 -0.203 0.000 2.456 287 L HA 0.376 4.715 4.340 -0.001 0.000 0.257 287 L C 1.602 178.163 176.870 -0.515 0.000 1.162 287 L CA 0.156 54.761 54.840 -0.392 0.000 0.808 287 L CB 0.777 42.501 42.059 -0.560 0.000 1.136 287 L HN 0.155 nan 8.230 nan 0.000 0.466 288 G N 0.498 108.909 108.800 -0.648 0.000 3.675 288 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.275 288 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.275 288 G C 0.156 174.790 174.900 -0.444 0.000 1.648 288 G CA 0.027 44.438 45.100 -1.149 0.000 1.093 288 G HN 0.884 nan 8.290 nan 0.000 0.617 289 T N -0.804 113.699 114.554 -0.084 0.000 2.928 289 T HA 0.613 4.963 4.350 -0.001 0.000 0.284 289 T C 1.039 175.797 174.700 0.097 0.000 1.008 289 T CA 0.694 62.929 62.100 0.225 0.000 1.057 289 T CB 1.857 70.885 68.868 0.268 0.000 1.018 289 T HN 1.805 nan 8.240 nan 0.000 0.493 290 G N 1.319 110.180 108.800 0.103 0.000 3.707 290 G HA2 0.363 4.323 3.960 -0.001 0.000 0.286 290 G HA3 0.363 4.323 3.960 -0.001 0.000 0.286 290 G C -0.037 174.886 174.900 0.038 0.000 1.112 290 G CA -0.465 44.648 45.100 0.022 0.000 0.861 290 G HN 0.764 nan 8.290 nan 0.000 0.534 291 L N 0.576 121.841 121.223 0.070 0.000 2.305 291 L HA 0.615 4.955 4.340 -0.001 0.000 0.281 291 L C 0.111 176.974 176.870 -0.013 0.000 1.085 291 L CA -0.884 53.980 54.840 0.041 0.000 0.813 291 L CB 0.922 43.023 42.059 0.070 0.000 1.157 291 L HN 0.036 nan 8.230 nan 0.000 0.436 292 R N 3.988 124.457 120.500 -0.052 0.000 2.545 292 R HA 0.413 4.752 4.340 -0.001 0.000 0.289 292 R C -0.757 175.478 176.300 -0.109 0.000 1.327 292 R CA -0.472 55.591 56.100 -0.061 0.000 1.040 292 R CB 1.287 31.568 30.300 -0.031 0.000 1.176 292 R HN 0.789 nan 8.270 nan 0.000 0.518 293 G N 1.238 109.957 108.800 -0.135 0.000 2.332 293 G HA2 0.635 4.595 3.960 -0.001 0.000 0.310 293 G HA3 0.635 4.595 3.960 -0.001 0.000 0.310 293 G C -0.540 174.291 174.900 -0.115 0.000 1.123 293 G CA -0.328 44.671 45.100 -0.167 0.000 0.873 293 G HN 0.662 nan 8.290 nan 0.000 0.460 294 G N -0.887 107.852 108.800 -0.101 0.000 2.600 294 G HA2 0.801 4.761 3.960 -0.001 0.000 0.293 294 G HA3 0.801 4.761 3.960 -0.001 0.000 0.293 294 G C -1.160 173.699 174.900 -0.069 0.000 1.408 294 G CA 0.125 45.187 45.100 -0.065 0.000 0.782 294 G HN 1.631 nan 8.290 nan 0.000 0.482 295 V N -3.055 116.844 119.914 -0.025 0.000 3.007 295 V HA 0.686 4.806 4.120 -0.001 0.000 0.311 295 V C -0.965 175.180 176.094 0.086 0.000 1.120 295 V CA -1.136 61.156 62.300 -0.014 0.000 0.980 295 V CB 1.622 33.460 31.823 0.024 0.000 1.033 295 V HN 0.879 nan 8.190 nan 0.000 0.429 296 H N 1.113 120.178 119.070 -0.008 0.000 2.640 296 H HA 0.726 5.281 4.556 -0.001 0.000 0.297 296 H C -0.651 174.698 175.328 0.036 0.000 1.073 296 H CA -0.377 55.667 56.048 -0.006 0.000 1.305 296 H CB 1.839 31.555 29.762 -0.077 0.000 1.404 296 H HN 0.672 nan 8.280 nan 0.000 0.459 297 V N 4.657 124.686 119.914 0.192 0.000 2.735 297 V HA 0.253 4.372 4.120 -0.001 0.000 0.310 297 V C -0.962 175.233 176.094 0.169 0.000 1.061 297 V CA -0.924 61.475 62.300 0.165 0.000 0.913 297 V CB 1.859 33.769 31.823 0.146 0.000 1.005 297 V HN 0.714 nan 8.190 nan 0.000 0.428 298 K N 7.573 128.072 120.400 0.164 0.000 2.250 298 K HA 0.479 4.799 4.320 -0.001 0.000 0.280 298 K C -0.287 176.406 176.600 0.156 0.000 1.098 298 K CA -0.111 56.264 56.287 0.147 0.000 0.916 298 K CB 0.452 33.010 32.500 0.097 0.000 1.209 298 K HN 0.701 nan 8.250 nan 0.000 0.461 299 I N 0.613 121.231 120.570 0.081 0.000 2.905 299 I HA 0.247 4.417 4.170 -0.001 0.000 0.297 299 I C -2.215 173.841 176.117 -0.102 0.000 1.358 299 I CA -2.511 58.774 61.300 -0.025 0.000 0.975 299 I CB 0.731 38.635 38.000 -0.159 0.000 1.857 299 I HN 0.171 nan 8.210 nan 0.000 0.612 300 P HA -0.160 nan 4.420 nan 0.000 0.215 300 P C 1.158 178.350 177.300 -0.180 0.000 1.157 300 P CA 1.850 64.886 63.100 -0.106 0.000 0.874 300 P CB 0.124 31.744 31.700 -0.133 0.000 0.790 301 H N -1.253 117.781 119.070 -0.059 0.000 2.299 301 H HA -0.047 4.508 4.556 -0.001 0.000 0.302 301 H C 1.946 177.218 175.328 -0.094 0.000 1.078 301 H CA 1.050 57.068 56.048 -0.050 0.000 1.323 301 H CB -1.019 28.738 29.762 -0.008 0.000 1.381 301 H HN -0.033 nan 8.280 nan 0.000 0.498 302 L N 1.176 122.378 121.223 -0.035 0.000 2.046 302 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 302 L C 2.351 178.854 176.870 -0.610 0.000 1.077 302 L CA 1.623 56.340 54.840 -0.204 0.000 0.747 302 L CB -0.884 41.040 42.059 -0.225 0.000 0.896 302 L HN 0.619 nan 8.230 nan 0.000 0.432 303 C N -1.707 117.075 119.300 -0.863 0.000 2.409 303 C HA -0.092 4.367 4.460 -0.001 0.000 0.288 303 C C 2.223 176.918 174.990 -0.492 0.000 1.395 303 C CA 0.628 58.915 59.018 -1.219 0.000 1.792 303 C CB -1.458 25.716 27.740 -0.944 0.000 1.847 303 C HN 0.496 nan 8.230 nan 0.000 0.534 304 K N -0.610 119.647 120.400 -0.239 0.000 2.358 304 K HA 0.136 4.455 4.320 -0.001 0.000 0.200 304 K C 0.517 177.120 176.600 0.005 0.000 1.030 304 K CA -0.269 55.975 56.287 -0.071 0.000 1.097 304 K CB -0.135 32.326 32.500 -0.064 0.000 0.862 304 K HN 0.588 nan 8.250 nan 0.000 0.534 305 H N 2.292 121.331 119.070 -0.051 0.000 2.722 305 H HA -0.031 4.524 4.556 -0.001 0.000 0.328 305 H C 0.924 176.294 175.328 0.070 0.000 1.067 305 H CA 0.619 56.678 56.048 0.017 0.000 1.447 305 H CB 1.059 30.833 29.762 0.021 0.000 1.469 305 H HN 0.314 nan 8.280 nan 0.000 0.544 306 E N 4.036 124.276 120.200 0.068 0.000 2.187 306 E HA -0.242 4.108 4.350 -0.001 0.000 0.199 306 E C 0.516 177.276 176.600 0.266 0.000 1.004 306 E CA 1.463 57.945 56.400 0.136 0.000 0.813 306 E CB 0.018 29.736 29.700 0.030 0.000 0.736 306 E HN 0.525 nan 8.360 nan 0.000 0.468 307 K N -0.514 120.191 120.400 0.508 0.000 2.444 307 K HA 0.037 4.356 4.320 -0.001 0.000 0.193 307 K C 1.379 178.081 176.600 0.170 0.000 1.024 307 K CA 0.047 56.477 56.287 0.237 0.000 1.077 307 K CB -0.101 32.456 32.500 0.095 0.000 0.833 307 K HN 0.081 nan 8.250 nan 0.000 0.517 308 F N 1.712 121.694 119.950 0.053 0.000 2.095 308 F HA -0.272 4.254 4.527 -0.001 0.000 0.298 308 F C 2.374 178.160 175.800 -0.023 0.000 1.104 308 F CA 1.439 59.427 58.000 -0.020 0.000 1.232 308 F CB -0.718 38.270 39.000 -0.021 0.000 0.987 308 F HN -0.049 nan 8.300 nan 0.000 0.475 309 S N -0.547 115.122 115.700 -0.053 0.000 2.383 309 S HA -0.264 4.205 4.470 -0.001 0.000 0.229 309 S C 2.040 176.553 174.600 -0.145 0.000 1.030 309 S CA 1.616 59.718 58.200 -0.164 0.000 1.002 309 S CB -0.493 62.690 63.200 -0.027 0.000 0.829 309 S HN 0.541 nan 8.310 nan 0.000 0.467 310 E N 0.390 120.549 120.200 -0.068 0.000 2.152 310 E HA 0.001 4.350 4.350 -0.001 0.000 0.192 310 E C 1.791 178.340 176.600 -0.084 0.000 0.983 310 E CA 0.880 57.246 56.400 -0.056 0.000 0.818 310 E CB -0.265 29.427 29.700 -0.014 0.000 0.758 310 E HN 0.357 nan 8.360 nan 0.000 0.467 311 V N 0.566 120.417 119.914 -0.105 0.000 2.453 311 V HA -0.180 3.939 4.120 -0.001 0.000 0.247 311 V C 2.304 178.307 176.094 -0.152 0.000 1.048 311 V CA 1.315 63.553 62.300 -0.105 0.000 1.049 311 V CB -0.393 31.391 31.823 -0.065 0.000 0.672 311 V HN 0.293 nan 8.190 nan 0.000 0.457 312 L N -0.071 120.994 121.223 -0.263 0.000 2.046 312 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 312 L C 2.559 179.329 176.870 -0.167 0.000 1.077 312 L CA 1.881 56.562 54.840 -0.265 0.000 0.747 312 L CB -0.617 41.195 42.059 -0.411 0.000 0.896 312 L HN 0.301 nan 8.230 nan 0.000 0.432 313 K N 0.474 120.789 120.400 -0.142 0.000 2.026 313 K HA -0.175 4.144 4.320 -0.001 0.000 0.208 313 K C 2.319 178.874 176.600 -0.075 0.000 1.048 313 K CA 1.344 57.576 56.287 -0.092 0.000 0.929 313 K CB 0.015 32.474 32.500 -0.068 0.000 0.713 313 K HN 0.185 nan 8.250 nan 0.000 0.439 314 R N -0.144 120.314 120.500 -0.070 0.000 2.120 314 R HA -0.070 4.269 4.340 -0.001 0.000 0.234 314 R C 2.153 178.417 176.300 -0.061 0.000 1.123 314 R CA 1.810 57.878 56.100 -0.053 0.000 0.975 314 R CB -0.316 29.957 30.300 -0.045 0.000 0.866 314 R HN 0.437 nan 8.270 nan 0.000 0.446 315 T N -2.091 112.416 114.554 -0.079 0.000 3.100 315 T HA 0.120 4.469 4.350 -0.001 0.000 0.253 315 T C 0.498 175.134 174.700 -0.107 0.000 1.118 315 T CA -0.238 61.812 62.100 -0.083 0.000 1.058 315 T CB -0.006 68.813 68.868 -0.081 0.000 0.953 315 T HN 0.223 nan 8.240 nan 0.000 0.515 316 R N 0.382 120.813 120.500 -0.114 0.000 3.531 316 R HA -0.095 4.244 4.340 -0.001 0.000 0.280 316 R C -0.642 175.576 176.300 -0.137 0.000 1.130 316 R CA 0.243 56.258 56.100 -0.140 0.000 0.757 316 R CB -2.476 27.698 30.300 -0.210 0.000 1.218 316 R HN 0.486 nan 8.270 nan 0.000 0.454 317 L N 0.535 121.688 121.223 -0.117 0.000 2.313 317 L HA 0.461 4.800 4.340 -0.001 0.000 0.268 317 L C 0.644 177.457 176.870 -0.094 0.000 1.010 317 L CA -0.907 53.873 54.840 -0.100 0.000 0.814 317 L CB 1.786 43.792 42.059 -0.088 0.000 1.304 317 L HN 0.171 nan 8.230 nan 0.000 0.441 318 Q N 0.950 120.714 119.800 -0.059 0.000 2.451 318 Q HA 0.628 4.967 4.340 -0.001 0.000 0.281 318 Q C -1.648 174.358 176.000 0.011 0.000 1.099 318 Q CA -1.114 54.667 55.803 -0.036 0.000 0.806 318 Q CB 2.825 31.555 28.738 -0.013 0.000 1.419 318 Q HN 0.566 nan 8.270 nan 0.000 0.427 319 K N 0.533 120.960 120.400 0.044 0.000 2.340 319 K HA 0.815 5.135 4.320 -0.001 0.000 0.244 319 K C -0.743 175.961 176.600 0.172 0.000 0.973 319 K CA -0.951 55.430 56.287 0.156 0.000 0.828 319 K CB 2.604 35.251 32.500 0.244 0.000 1.226 319 K HN 0.963 nan 8.250 nan 0.000 0.437 320 R N -0.816 119.819 120.500 0.226 0.000 2.921 320 R HA 0.496 4.835 4.340 -0.001 0.000 0.268 320 R C -1.427 174.906 176.300 0.055 0.000 1.008 320 R CA -1.153 55.030 56.100 0.138 0.000 0.876 320 R CB 0.768 31.126 30.300 0.096 0.000 1.395 320 R HN 0.721 nan 8.270 nan 0.000 0.443 321 G N 0.342 109.129 108.800 -0.022 0.000 2.644 321 G HA2 0.523 4.482 3.960 -0.001 0.000 0.300 321 G HA3 0.523 4.482 3.960 -0.001 0.000 0.300 321 G C -0.932 173.898 174.900 -0.116 0.000 1.395 321 G CA -0.417 44.597 45.100 -0.143 0.000 0.964 321 G HN 0.755 nan 8.290 nan 0.000 0.511 322 T N -0.673 113.761 114.554 -0.199 0.000 3.424 322 T HA 0.362 4.711 4.350 -0.001 0.000 0.293 322 T C 1.336 175.814 174.700 -0.369 0.000 0.788 322 T CA 0.273 62.259 62.100 -0.191 0.000 1.337 322 T CB 0.646 69.482 68.868 -0.054 0.000 0.948 322 T HN 0.844 nan 8.240 nan 0.000 0.534 323 G N 1.824 110.464 108.800 -0.266 0.000 2.545 323 G HA2 0.255 4.214 3.960 -0.001 0.000 0.222 323 G HA3 0.255 4.214 3.960 -0.001 0.000 0.222 323 G C 0.766 175.543 174.900 -0.205 0.000 1.126 323 G CA 0.546 45.498 45.100 -0.246 0.000 0.754 323 G HN 1.204 nan 8.290 nan 0.000 0.583 324 G N -1.748 106.960 108.800 -0.153 0.000 2.542 324 G HA2 0.425 4.385 3.960 -0.001 0.000 0.311 324 G HA3 0.425 4.385 3.960 -0.001 0.000 0.311 324 G C 0.438 175.295 174.900 -0.072 0.000 1.298 324 G CA -0.135 44.912 45.100 -0.088 0.000 0.973 324 G HN 0.163 nan 8.290 nan 0.000 0.487 325 V N 0.820 120.707 119.914 -0.044 0.000 3.284 325 V HA -0.071 4.048 4.120 -0.001 0.000 0.273 325 V C 1.464 177.810 176.094 0.420 0.000 1.178 325 V CA 2.280 64.578 62.300 -0.003 0.000 1.177 325 V CB -0.515 31.346 31.823 0.063 0.000 0.793 325 V HN 0.793 nan 8.190 nan 0.000 0.536 326 D N -1.517 119.030 120.400 0.246 0.000 2.871 326 D HA 0.061 4.700 4.640 -0.001 0.000 0.291 326 D C 0.964 177.296 176.300 0.053 0.000 1.150 326 D CA 0.523 54.625 54.000 0.169 0.000 0.999 326 D CB 0.497 41.327 40.800 0.051 0.000 1.452 326 D HN 0.308 nan 8.370 nan 0.000 0.465 327 T N 0.772 115.348 114.554 0.036 0.000 2.910 327 T HA 0.647 4.996 4.350 -0.001 0.000 0.293 327 T C -0.064 174.634 174.700 -0.003 0.000 1.015 327 T CA -0.293 61.804 62.100 -0.004 0.000 1.094 327 T CB 1.459 70.315 68.868 -0.019 0.000 0.968 327 T HN 0.202 nan 8.240 nan 0.000 0.521 328 A N 1.899 124.707 122.820 -0.020 0.000 2.305 328 A HA 0.690 5.009 4.320 -0.001 0.000 0.322 328 A C 0.932 178.485 177.584 -0.051 0.000 1.187 328 A CA -0.231 51.788 52.037 -0.029 0.000 0.825 328 A CB -0.122 18.866 19.000 -0.020 0.000 1.164 328 A HN 1.828 nan 8.150 nan 0.000 0.498 329 A N 0.626 123.401 122.820 -0.075 0.000 2.687 329 A HA 0.070 4.389 4.320 -0.001 0.000 0.299 329 A C 0.428 177.958 177.584 -0.090 0.000 1.497 329 A CA 1.082 53.063 52.037 -0.093 0.000 0.751 329 A CB -2.672 16.284 19.000 -0.074 0.000 1.048 329 A HN 2.400 nan 8.150 nan 0.000 0.464 330 V N -4.121 115.734 119.914 -0.098 0.000 3.102 330 V HA 1.011 5.130 4.120 -0.001 0.000 0.312 330 V C 1.174 177.212 176.094 -0.092 0.000 1.135 330 V CA -0.132 62.120 62.300 -0.081 0.000 1.022 330 V CB 1.104 32.892 31.823 -0.059 0.000 1.056 330 V HN 2.572 nan 8.190 nan 0.000 0.436 331 G N 2.191 110.952 108.800 -0.066 0.000 2.697 331 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.240 331 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.240 331 G C 0.412 175.287 174.900 -0.042 0.000 1.346 331 G CA 0.518 45.588 45.100 -0.051 0.000 0.887 331 G HN 2.492 nan 8.290 nan 0.000 0.569 332 S N -0.933 114.767 115.700 0.002 0.000 2.588 332 S HA 0.552 5.021 4.470 -0.001 0.000 0.245 332 S C 0.559 175.265 174.600 0.176 0.000 1.021 332 S CA -0.125 58.132 58.200 0.095 0.000 1.006 332 S CB -0.016 63.225 63.200 0.068 0.000 0.830 332 S HN 0.712 nan 8.310 nan 0.000 0.468 333 I N 2.928 123.518 120.570 0.035 0.000 2.322 333 I HA 0.323 4.492 4.170 -0.001 0.000 0.292 333 I C -0.629 175.455 176.117 -0.055 0.000 1.060 333 I CA -0.447 60.866 61.300 0.021 0.000 1.309 333 I CB 0.225 38.172 38.000 -0.089 0.000 1.415 333 I HN 0.255 nan 8.210 nan 0.000 0.492 334 Y N 3.979 124.261 120.300 -0.030 0.000 2.567 334 Y HA 0.312 4.861 4.550 -0.001 0.000 0.333 334 Y C 0.280 176.215 175.900 0.060 0.000 1.106 334 Y CA -0.927 57.178 58.100 0.008 0.000 1.157 334 Y CB 1.109 39.611 38.460 0.069 0.000 1.277 334 Y HN 0.407 nan 8.280 nan 0.000 0.490 335 D N 2.244 122.792 120.400 0.247 0.000 2.427 335 D HA 0.259 4.898 4.640 -0.001 0.000 0.226 335 D C -1.274 175.155 176.300 0.216 0.000 1.076 335 D CA -0.137 54.019 54.000 0.261 0.000 0.849 335 D CB 0.396 41.325 40.800 0.215 0.000 1.052 335 D HN 0.267 nan 8.370 nan 0.000 0.515 336 I N 3.253 123.926 120.570 0.172 0.000 2.362 336 I HA 0.276 4.445 4.170 -0.001 0.000 0.289 336 I C 0.468 176.613 176.117 0.046 0.000 0.994 336 I CA -0.586 60.782 61.300 0.113 0.000 1.158 336 I CB 0.875 38.940 38.000 0.109 0.000 1.315 336 I HN 0.373 nan 8.210 nan 0.000 0.451 337 S N 5.487 121.198 115.700 0.018 0.000 2.685 337 S HA 0.548 5.017 4.470 -0.001 0.000 0.282 337 S C -0.638 173.933 174.600 -0.047 0.000 1.159 337 S CA -1.048 57.139 58.200 -0.022 0.000 0.833 337 S CB 2.133 65.323 63.200 -0.017 0.000 1.151 337 S HN 0.615 nan 8.310 nan 0.000 0.485 338 N N 0.367 119.023 118.700 -0.073 0.000 2.492 338 N HA 0.243 4.983 4.740 -0.001 0.000 0.260 338 N C 0.850 176.313 175.510 -0.079 0.000 1.215 338 N CA 0.035 53.027 53.050 -0.097 0.000 0.923 338 N CB 1.179 39.595 38.487 -0.119 0.000 1.092 338 N HN 0.811 nan 8.380 nan 0.000 0.448 339 A N 1.758 124.519 122.820 -0.099 0.000 1.984 339 A HA 0.001 4.320 4.320 -0.001 0.000 0.214 339 A C 0.522 178.069 177.584 -0.061 0.000 1.173 339 A CA 0.309 52.305 52.037 -0.069 0.000 0.673 339 A CB -0.134 18.822 19.000 -0.073 0.000 0.830 339 A HN 0.748 nan 8.150 nan 0.000 0.453 340 D N -0.402 119.919 120.400 -0.130 0.000 2.419 340 D HA 0.164 4.804 4.640 -0.001 0.000 0.236 340 D C 0.806 177.107 176.300 0.002 0.000 1.165 340 D CA 0.279 54.219 54.000 -0.101 0.000 0.882 340 D CB 0.793 41.378 40.800 -0.357 0.000 1.201 340 D HN 0.141 nan 8.370 nan 0.000 0.443 341 R N 0.067 120.603 120.500 0.059 0.000 4.019 341 R HA 0.220 4.559 4.340 -0.001 0.000 0.140 341 R C 0.086 176.382 176.300 -0.006 0.000 1.486 341 R CA -0.210 55.900 56.100 0.015 0.000 1.119 341 R CB -0.813 29.485 30.300 -0.002 0.000 1.357 341 R HN 0.373 nan 8.270 nan 0.000 0.449 342 L N 0.155 121.254 121.223 -0.206 0.000 2.322 342 L HA 0.585 4.925 4.340 -0.001 0.000 0.279 342 L C 0.610 177.453 176.870 -0.045 0.000 1.036 342 L CA 1.081 55.741 54.840 -0.301 0.000 0.807 342 L CB 1.808 43.308 42.059 -0.930 0.000 1.226 342 L HN 0.705 nan 8.230 nan 0.000 0.433 343 G N 2.319 111.246 108.800 0.210 0.000 2.231 343 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.206 343 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.206 343 G C -0.225 174.591 174.900 -0.139 0.000 0.996 343 G CA 0.027 45.217 45.100 0.150 0.000 0.645 343 G HN 0.495 nan 8.290 nan 0.000 0.498 344 F N 1.422 121.408 119.950 0.059 0.000 2.576 344 F HA 0.705 5.232 4.527 -0.001 0.000 0.313 344 F C 0.537 176.342 175.800 0.008 0.000 1.078 344 F CA -0.437 57.573 58.000 0.018 0.000 0.921 344 F CB 2.197 41.216 39.000 0.032 0.000 1.232 344 F HN 0.269 nan 8.300 nan 0.000 0.459 345 S N 0.681 116.468 115.700 0.146 0.000 2.585 345 S HA 0.335 4.804 4.470 -0.001 0.000 0.277 345 S C 0.752 175.462 174.600 0.183 0.000 1.241 345 S CA -0.566 57.697 58.200 0.104 0.000 1.041 345 S CB 1.516 64.750 63.200 0.057 0.000 0.987 345 S HN 0.660 nan 8.310 nan 0.000 0.512 346 E N 1.754 122.102 120.200 0.246 0.000 2.164 346 E HA -0.180 4.169 4.350 -0.001 0.000 0.206 346 E C 1.799 178.501 176.600 0.170 0.000 1.032 346 E CA 1.895 58.461 56.400 0.277 0.000 0.832 346 E CB -0.696 29.281 29.700 0.461 0.000 0.742 346 E HN 0.545 nan 8.360 nan 0.000 0.460 347 V N 0.677 120.721 119.914 0.217 0.000 2.358 347 V HA -0.237 3.883 4.120 -0.001 0.000 0.246 347 V C 1.997 178.089 176.094 -0.004 0.000 1.047 347 V CA 1.958 64.324 62.300 0.109 0.000 1.035 347 V CB -0.420 31.518 31.823 0.192 0.000 0.658 347 V HN 0.275 nan 8.190 nan 0.000 0.452 348 E N -0.350 119.890 120.200 0.067 0.000 2.106 348 E HA -0.254 4.096 4.350 -0.001 0.000 0.192 348 E C 2.327 178.935 176.600 0.014 0.000 0.984 348 E CA 1.244 57.695 56.400 0.085 0.000 0.806 348 E CB -0.106 29.724 29.700 0.217 0.000 0.750 348 E HN 0.664 nan 8.360 nan 0.000 0.458 349 Q N 0.164 119.959 119.800 -0.007 0.000 2.046 349 Q HA -0.104 4.236 4.340 -0.001 0.000 0.200 349 Q C 2.319 178.218 176.000 -0.169 0.000 0.975 349 Q CA 1.161 56.911 55.803 -0.088 0.000 0.836 349 Q CB 0.122 28.833 28.738 -0.045 0.000 0.896 349 Q HN 0.126 nan 8.270 nan 0.000 0.428 350 V N 0.724 120.475 119.914 -0.273 0.000 2.626 350 V HA -0.233 3.886 4.120 -0.001 0.000 0.252 350 V C 2.102 178.027 176.094 -0.281 0.000 1.067 350 V CA 1.659 63.721 62.300 -0.396 0.000 1.081 350 V CB -0.375 30.925 31.823 -0.870 0.000 0.686 350 V HN 0.311 nan 8.190 nan 0.000 0.468 351 Q N -0.100 119.578 119.800 -0.204 0.000 2.172 351 Q HA -0.075 4.265 4.340 -0.001 0.000 0.200 351 Q C 2.059 178.002 176.000 -0.095 0.000 0.964 351 Q CA 1.721 57.451 55.803 -0.121 0.000 0.855 351 Q CB -0.272 28.429 28.738 -0.061 0.000 0.918 351 Q HN 0.584 nan 8.270 nan 0.000 0.444 352 M N -1.268 118.270 119.600 -0.102 0.000 2.319 352 M HA -0.097 4.382 4.480 -0.001 0.000 0.265 352 M C 1.775 178.015 176.300 -0.100 0.000 1.068 352 M CA 0.659 55.900 55.300 -0.098 0.000 1.118 352 M CB 0.148 32.669 32.600 -0.131 0.000 1.395 352 M HN 0.068 nan 8.290 nan 0.000 0.435 353 V N -0.454 119.389 119.914 -0.118 0.000 2.323 353 V HA -0.184 3.935 4.120 -0.001 0.000 0.244 353 V C 2.300 178.344 176.094 -0.083 0.000 1.041 353 V CA 1.377 63.615 62.300 -0.103 0.000 1.025 353 V CB -0.418 31.329 31.823 -0.127 0.000 0.656 353 V HN 0.231 nan 8.190 nan 0.000 0.451 354 V N 0.489 120.348 119.914 -0.092 0.000 2.287 354 V HA -0.270 3.849 4.120 -0.001 0.000 0.248 354 V C 2.286 178.350 176.094 -0.050 0.000 1.053 354 V CA 2.344 64.604 62.300 -0.066 0.000 1.027 354 V CB -0.715 31.066 31.823 -0.069 0.000 0.646 354 V HN 0.571 nan 8.190 nan 0.000 0.447 355 D N 0.558 120.926 120.400 -0.052 0.000 2.084 355 D HA -0.090 4.550 4.640 -0.001 0.000 0.196 355 D C 2.212 178.486 176.300 -0.044 0.000 0.985 355 D CA 1.652 55.627 54.000 -0.042 0.000 0.826 355 D CB -0.854 39.923 40.800 -0.039 0.000 0.978 355 D HN 0.440 nan 8.370 nan 0.000 0.456 356 G N 0.821 109.590 108.800 -0.052 0.000 2.446 356 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.217 356 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.217 356 G C 1.861 176.737 174.900 -0.039 0.000 1.168 356 G CA 0.912 45.982 45.100 -0.050 0.000 0.771 356 G HN 0.238 nan 8.290 nan 0.000 0.551 357 V N 0.610 120.502 119.914 -0.035 0.000 2.343 357 V HA -0.159 3.960 4.120 -0.001 0.000 0.247 357 V C 2.779 178.852 176.094 -0.036 0.000 1.051 357 V CA 2.180 64.466 62.300 -0.022 0.000 1.036 357 V CB -0.392 31.423 31.823 -0.013 0.000 0.654 357 V HN 0.343 nan 8.190 nan 0.000 0.451 358 K N -0.504 119.872 120.400 -0.040 0.000 2.097 358 K HA -0.176 4.143 4.320 -0.001 0.000 0.206 358 K C 2.069 178.629 176.600 -0.066 0.000 1.049 358 K CA 1.394 57.652 56.287 -0.048 0.000 0.933 358 K CB -0.293 32.185 32.500 -0.036 0.000 0.717 358 K HN 0.307 nan 8.250 nan 0.000 0.442 359 L N 0.901 122.090 121.223 -0.057 0.000 2.156 359 L HA -0.079 4.260 4.340 -0.001 0.000 0.208 359 L C 1.928 178.754 176.870 -0.074 0.000 1.095 359 L CA 1.489 56.292 54.840 -0.062 0.000 0.770 359 L CB -0.164 41.865 42.059 -0.051 0.000 0.914 359 L HN 0.161 nan 8.230 nan 0.000 0.439 360 M N -2.011 117.552 119.600 -0.062 0.000 2.175 360 M HA -0.167 4.312 4.480 -0.001 0.000 0.264 360 M C 2.094 178.321 176.300 -0.122 0.000 1.063 360 M CA 1.390 56.658 55.300 -0.055 0.000 1.119 360 M CB -0.442 32.158 32.600 -0.001 0.000 1.377 360 M HN 0.130 nan 8.290 nan 0.000 0.415 361 V N 0.531 120.341 119.914 -0.173 0.000 2.295 361 V HA -0.271 3.848 4.120 -0.001 0.000 0.246 361 V C 2.233 178.114 176.094 -0.354 0.000 1.049 361 V CA 2.190 64.273 62.300 -0.361 0.000 1.024 361 V CB -0.754 30.861 31.823 -0.346 0.000 0.648 361 V HN 0.519 nan 8.190 nan 0.000 0.447 362 E N -0.465 119.605 120.200 -0.216 0.000 2.171 362 E HA -0.258 4.092 4.350 -0.001 0.000 0.197 362 E C 2.207 178.720 176.600 -0.145 0.000 0.997 362 E CA 1.623 57.928 56.400 -0.159 0.000 0.810 362 E CB -0.097 29.542 29.700 -0.103 0.000 0.738 362 E HN 0.572 nan 8.360 nan 0.000 0.467 363 M N -0.178 119.339 119.600 -0.138 0.000 2.193 363 M HA -0.092 4.388 4.480 -0.001 0.000 0.265 363 M C 2.284 178.512 176.300 -0.120 0.000 1.071 363 M CA 1.094 56.323 55.300 -0.119 0.000 1.140 363 M CB -0.159 32.376 32.600 -0.107 0.000 1.369 363 M HN -0.020 nan 8.290 nan 0.000 0.423 364 E N 1.476 121.592 120.200 -0.140 0.000 2.049 364 E HA -0.196 4.154 4.350 -0.001 0.000 0.198 364 E C 1.699 178.239 176.600 -0.099 0.000 1.007 364 E CA 1.874 58.221 56.400 -0.088 0.000 0.809 364 E CB -0.097 29.546 29.700 -0.094 0.000 0.749 364 E HN 0.322 nan 8.360 nan 0.000 0.450 365 K N -0.248 120.064 120.400 -0.147 0.000 2.044 365 K HA -0.158 4.161 4.320 -0.001 0.000 0.210 365 K C 2.320 178.861 176.600 -0.097 0.000 1.049 365 K CA 1.496 57.733 56.287 -0.083 0.000 0.927 365 K CB -0.208 32.237 32.500 -0.092 0.000 0.713 365 K HN 0.035 nan 8.250 nan 0.000 0.443 366 R N 0.925 121.365 120.500 -0.100 0.000 2.091 366 R HA -0.088 4.251 4.340 -0.001 0.000 0.238 366 R C 2.333 178.566 176.300 -0.112 0.000 1.136 366 R CA 1.178 57.228 56.100 -0.085 0.000 0.959 366 R CB -0.727 29.532 30.300 -0.068 0.000 0.856 366 R HN 0.290 nan 8.270 nan 0.000 0.437 367 L N 0.673 121.808 121.223 -0.145 0.000 2.275 367 L HA -0.128 4.211 4.340 -0.001 0.000 0.215 367 L C 2.097 178.648 176.870 -0.531 0.000 1.119 367 L CA 1.113 55.832 54.840 -0.201 0.000 0.790 367 L CB -0.277 41.735 42.059 -0.079 0.000 0.919 367 L HN 0.241 nan 8.230 nan 0.000 0.443 368 E N 0.054 119.901 120.200 -0.588 0.000 2.107 368 E HA -0.144 4.205 4.350 -0.001 0.000 0.191 368 E C 1.257 177.709 176.600 -0.246 0.000 0.982 368 E CA 0.858 56.879 56.400 -0.631 0.000 0.809 368 E CB -0.033 29.524 29.700 -0.237 0.000 0.756 368 E HN 0.467 nan 8.360 nan 0.000 0.459 369 N N -0.175 118.432 118.700 -0.154 0.000 2.461 369 N HA 0.026 4.765 4.740 -0.001 0.000 0.188 369 N C 0.842 176.317 175.510 -0.058 0.000 1.134 369 N CA 0.860 53.865 53.050 -0.074 0.000 0.878 369 N CB 0.684 39.141 38.487 -0.050 0.000 0.972 369 N HN 0.273 nan 8.380 nan 0.000 0.456 370 G N 0.055 108.808 108.800 -0.079 0.000 2.168 370 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.263 370 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.263 370 G C 0.187 175.075 174.900 -0.019 0.000 0.977 370 G CA 0.473 45.552 45.100 -0.035 0.000 0.659 370 G HN 0.374 nan 8.290 nan 0.000 0.533 371 K N 0.073 120.456 120.400 -0.028 0.000 2.179 371 K HA 0.607 4.927 4.320 -0.001 0.000 0.238 371 K C 0.709 177.312 176.600 0.004 0.000 1.033 371 K CA 0.002 56.281 56.287 -0.013 0.000 0.926 371 K CB 0.870 33.357 32.500 -0.021 0.000 1.151 371 K HN 0.143 nan 8.250 nan 0.000 0.492 372 S N 0.300 116.006 115.700 0.011 0.000 2.652 372 S HA 0.284 4.754 4.470 -0.001 0.000 0.270 372 S C 0.750 175.353 174.600 0.005 0.000 1.243 372 S CA -0.787 57.431 58.200 0.030 0.000 0.999 372 S CB 0.330 63.547 63.200 0.028 0.000 0.973 372 S HN 0.602 nan 8.310 nan 0.000 0.544 373 I N -0.570 120.001 120.570 0.002 0.000 4.154 373 I HA 0.406 4.575 4.170 -0.001 0.000 0.334 373 I C 0.518 176.607 176.117 -0.048 0.000 1.371 373 I CA -0.217 61.050 61.300 -0.055 0.000 1.110 373 I CB 0.096 38.009 38.000 -0.144 0.000 1.085 373 I HN 0.343 nan 8.210 nan 0.000 0.398 374 D N 2.477 122.869 120.400 -0.013 0.000 2.158 374 D HA -0.213 4.426 4.640 -0.001 0.000 0.197 374 D C 1.424 177.714 176.300 -0.016 0.000 0.995 374 D CA 1.664 55.659 54.000 -0.007 0.000 0.846 374 D CB -0.127 40.680 40.800 0.011 0.000 0.941 374 D HN 0.408 nan 8.370 nan 0.000 0.456 375 D N -0.333 120.057 120.400 -0.017 0.000 2.228 375 D HA -0.097 4.543 4.640 -0.001 0.000 0.203 375 D C 1.863 178.148 176.300 -0.025 0.000 0.988 375 D CA 0.613 54.602 54.000 -0.018 0.000 0.864 375 D CB -0.003 40.786 40.800 -0.018 0.000 0.928 375 D HN 0.280 nan 8.370 nan 0.000 0.469 376 L N -0.949 120.252 121.223 -0.036 0.000 2.590 376 L HA 0.171 4.511 4.340 -0.001 0.000 0.227 376 L C 0.290 177.134 176.870 -0.044 0.000 1.099 376 L CA -0.385 54.430 54.840 -0.043 0.000 0.872 376 L CB -0.096 41.929 42.059 -0.055 0.000 1.088 376 L HN -0.060 nan 8.230 nan 0.000 0.479 377 M N 3.522 123.095 119.600 -0.044 0.000 2.773 377 M HA -0.024 4.455 4.480 -0.001 0.000 0.442 377 M C -1.766 174.514 176.300 -0.033 0.000 1.731 377 M CA -0.881 54.394 55.300 -0.042 0.000 1.110 377 M CB -1.254 31.329 32.600 -0.029 0.000 2.058 377 M HN -0.050 nan 8.290 nan 0.000 0.494 378 P HA 0.306 nan 4.420 nan 0.000 0.274 378 P C -0.629 176.658 177.300 -0.022 0.000 1.264 378 P CA -0.476 62.606 63.100 -0.029 0.000 0.795 378 P CB 0.421 32.101 31.700 -0.033 0.000 1.064 379 A N -0.198 122.613 122.820 -0.016 0.000 2.271 379 A HA 0.335 4.655 4.320 -0.001 0.000 0.288 379 A C 0.194 177.772 177.584 -0.010 0.000 1.094 379 A CA -0.313 51.719 52.037 -0.009 0.000 0.828 379 A CB -0.173 18.826 19.000 -0.003 0.000 1.091 379 A HN 0.522 nan 8.150 nan 0.000 0.493 380 Q N 0.887 120.684 119.800 -0.004 0.000 2.286 380 Q HA 0.266 4.605 4.340 -0.001 0.000 0.267 380 Q C -0.285 175.720 176.000 0.008 0.000 1.028 380 Q CA 0.955 56.757 55.803 -0.003 0.000 0.901 380 Q CB 0.219 28.959 28.738 0.003 0.000 1.183 380 Q HN 0.564 nan 8.270 nan 0.000 0.392 381 K N 0.000 120.401 120.400 0.002 0.000 2.780 381 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 381 K CA 0.000 56.301 56.287 0.023 0.000 0.838 381 K CB 0.000 32.497 32.500 -0.005 0.000 1.064 381 K HN 0.000 nan 8.250 nan 0.000 0.543