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 1pix_1_B DATA FIRST_RESID 1 DATA SEQUENCE GFYSMPRYFQ NMPQVGKPLK KADAANEEQL KKIEEEIHQL IKEAQEAGKA DATA SEQUENCE DADVNKRGEL TALQRIEKLV EPGSWRPLNT LFNPQGNKNG SVAIVKGLGR DATA SEQUENCE VNGKWCVVVA SDNKKLAGAW VPGQAECLLR ASDTAKTLHV PLVYVLNCSG DATA SEQUENCE VKFDEQEKVY PNRRGGGTPF FRNAELNQLG IPVIVGIYGT NPAGGGYHSI DATA SEQUENCE SPTVIIAHEK ANMAVGGAGI MGGMNPKGHV DLEYANEIAD MVDRTGKTEP DATA SEQUENCE PGAVDIHYTE TGFMREVYAS EEGVLEGIKK YVGMLPKYDP EFFRVDDPKA DATA SEQUENCE PAFPADDLYS MVPLNDKRAY DIYNVIARLF DNSELHEYKK GYGPEMVTGL DATA SEQUENCE AKVNGLLVGV VANVQGLLMN YPEYKAAGSV GIGGKLYRQG LVKMNEFVTL DATA SEQUENCE CARDRLPIVW IQDTTGIDVG NDAEKAELLG LGQSLIYSIQ TSHIPQFEIT DATA SEQUENCE LRKGTAAAHY VLGGPQGNDT NAFSIGTAAT EIAVMNGETA ATAMYSRRLA DATA SEQUENCE KDRKAGKDLQ PTIDKMNNLI QAFYTKSRPK VCAELGLVDE IVDMNKIRGY DATA SEQUENCE VEAFTEAAYQ NPESICPFHQ MILPRAIREF ETFVKK 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1 G C 0.000 174.301 174.900 -0.998 0.000 0.946 1 G CA 0.000 44.707 45.100 -0.655 0.000 0.502 2 F N 1.249 120.755 119.950 -0.740 0.000 2.332 2 F HA 0.664 5.191 4.527 -0.000 0.000 0.368 2 F C -0.336 175.045 175.800 -0.699 0.000 1.110 2 F CA -0.575 57.120 58.000 -0.507 0.000 1.087 2 F CB 0.902 39.739 39.000 -0.271 0.000 1.235 2 F HN 0.298 nan 8.300 nan 0.000 0.470 3 Y N -0.413 119.954 120.300 0.112 0.000 2.602 3 Y HA 0.523 5.073 4.550 0.000 0.000 0.342 3 Y C 0.340 176.279 175.900 0.064 0.000 1.029 3 Y CA -1.433 56.683 58.100 0.026 0.000 1.080 3 Y CB 1.627 40.053 38.460 -0.055 0.000 1.284 3 Y HN 0.246 nan 8.280 nan 0.000 0.485 4 S N 2.244 118.072 115.700 0.213 0.000 2.580 4 S HA 0.206 4.676 4.470 0.000 0.000 0.274 4 S C -0.057 174.739 174.600 0.327 0.000 1.329 4 S CA -0.589 57.766 58.200 0.257 0.000 1.036 4 S CB 0.037 63.459 63.200 0.371 0.000 0.919 4 S HN 0.690 nan 8.310 nan 0.000 0.515 5 M N 0.531 120.293 119.600 0.270 0.000 2.405 5 M HA -0.156 4.324 4.480 0.000 0.000 0.181 5 M C -2.089 174.292 176.300 0.134 0.000 0.878 5 M CA -0.215 55.202 55.300 0.194 0.000 0.537 5 M CB -1.717 30.966 32.600 0.138 0.000 1.090 5 M HN 0.406 nan 8.290 nan 0.000 0.874 6 P HA -0.219 nan 4.420 nan 0.000 0.216 6 P C 1.283 178.603 177.300 0.034 0.000 1.150 6 P CA 1.909 65.077 63.100 0.114 0.000 0.843 6 P CB -0.068 31.692 31.700 0.101 0.000 0.787 7 R N -2.063 118.427 120.500 -0.017 0.000 2.193 7 R HA -0.141 4.199 4.340 0.000 0.000 0.229 7 R C 1.628 177.809 176.300 -0.198 0.000 1.110 7 R CA 1.527 57.559 56.100 -0.113 0.000 0.988 7 R CB -1.317 28.881 30.300 -0.170 0.000 0.871 7 R HN 0.239 nan 8.270 nan 0.000 0.458 8 Y N -0.495 119.640 120.300 -0.276 0.000 2.389 8 Y HA 0.188 4.738 4.550 -0.000 0.000 0.292 8 Y C 1.381 177.054 175.900 -0.378 0.000 1.117 8 Y CA 0.688 58.521 58.100 -0.445 0.000 1.195 8 Y CB 0.349 38.259 38.460 -0.918 0.000 1.076 8 Y HN -0.069 nan 8.280 nan 0.000 0.548 9 F N -0.919 119.144 119.950 0.187 0.000 2.717 9 F HA 0.186 4.713 4.527 -0.000 0.000 0.295 9 F C 0.457 176.265 175.800 0.012 0.000 1.117 9 F CA -0.210 57.832 58.000 0.070 0.000 1.361 9 F CB 0.276 39.250 39.000 -0.043 0.000 1.112 9 F HN -0.205 nan 8.300 nan 0.000 0.594 10 Q N 0.924 120.813 119.800 0.149 0.000 2.274 10 Q HA 0.259 4.599 4.340 0.000 0.000 0.260 10 Q C -0.388 175.635 176.000 0.039 0.000 0.974 10 Q CA -0.779 55.069 55.803 0.075 0.000 0.876 10 Q CB 1.186 29.962 28.738 0.064 0.000 1.297 10 Q HN 0.121 nan 8.270 nan 0.000 0.446 11 N N 1.332 120.045 118.700 0.021 0.000 2.738 11 N HA -0.177 4.563 4.740 0.000 0.000 0.249 11 N C -0.796 174.701 175.510 -0.022 0.000 1.047 11 N CA 0.913 53.961 53.050 -0.004 0.000 0.707 11 N CB -1.125 37.354 38.487 -0.014 0.000 0.937 11 N HN 0.644 nan 8.380 nan 0.000 0.545 12 M N 0.195 119.793 119.600 -0.003 0.000 2.198 12 M HA 0.186 4.666 4.480 0.000 0.000 0.315 12 M C -1.666 174.581 176.300 -0.089 0.000 1.134 12 M CA -0.994 54.277 55.300 -0.049 0.000 1.171 12 M CB 0.053 32.679 32.600 0.044 0.000 1.413 12 M HN -0.146 nan 8.290 nan 0.000 0.467 13 P HA -0.004 nan 4.420 nan 0.000 0.268 13 P C -1.276 175.993 177.300 -0.050 0.000 1.208 13 P CA 0.287 63.311 63.100 -0.128 0.000 0.777 13 P CB 0.403 31.994 31.700 -0.182 0.000 0.875 14 Q N 0.358 120.142 119.800 -0.028 0.000 2.257 14 Q HA 0.602 4.942 4.340 0.000 0.000 0.262 14 Q C -0.343 175.671 176.000 0.023 0.000 0.997 14 Q CA -0.983 54.834 55.803 0.023 0.000 0.873 14 Q CB 1.865 30.623 28.738 0.034 0.000 1.312 14 Q HN 0.314 nan 8.270 nan 0.000 0.450 15 V N -2.616 117.351 119.914 0.088 0.000 3.156 15 V HA 0.995 5.115 4.120 0.000 0.000 0.310 15 V C -0.076 176.130 176.094 0.186 0.000 1.234 15 V CA -0.039 62.291 62.300 0.049 0.000 1.065 15 V CB 1.171 32.996 31.823 0.003 0.000 1.088 15 V HN 1.013 nan 8.190 nan 0.000 0.451 16 G N 0.751 109.617 108.800 0.110 0.000 2.746 16 G HA2 0.026 3.986 3.960 0.000 0.000 0.685 16 G HA3 0.026 3.986 3.960 0.000 0.000 0.685 16 G C -1.043 173.762 174.900 -0.158 0.000 1.350 16 G CA -0.142 44.970 45.100 0.021 0.000 0.837 16 G HN 1.139 nan 8.290 nan 0.000 0.564 17 K N 0.930 121.056 120.400 -0.456 0.000 2.477 17 K HA 0.640 4.960 4.320 0.000 0.000 0.255 17 K C -2.446 173.689 176.600 -0.775 0.000 0.952 17 K CA -1.718 54.307 56.287 -0.436 0.000 0.826 17 K CB 3.161 35.563 32.500 -0.162 0.000 1.331 17 K HN 0.493 nan 8.250 nan 0.000 0.437 18 P HA 0.025 nan 4.420 nan 0.000 0.272 18 P C -0.823 176.409 177.300 -0.114 0.000 1.223 18 P CA -0.576 62.425 63.100 -0.166 0.000 0.784 18 P CB 0.596 32.402 31.700 0.177 0.000 0.923 19 L N 2.701 123.898 121.223 -0.044 0.000 2.325 19 L HA 0.130 4.470 4.340 0.000 0.000 0.284 19 L C 1.350 178.228 176.870 0.014 0.000 1.089 19 L CA 0.329 55.158 54.840 -0.018 0.000 0.836 19 L CB -0.281 41.784 42.059 0.010 0.000 1.184 19 L HN 0.307 nan 8.230 nan 0.000 0.444 20 K N 3.437 123.841 120.400 0.007 0.000 1.968 20 K HA -0.043 4.277 4.320 0.000 0.000 0.215 20 K C 0.200 176.813 176.600 0.021 0.000 1.040 20 K CA 1.246 57.543 56.287 0.017 0.000 0.959 20 K CB -0.019 32.488 32.500 0.012 0.000 0.740 20 K HN 0.509 nan 8.250 nan 0.000 0.443 21 K N 0.600 121.011 120.400 0.018 0.000 2.292 21 K HA 0.364 4.684 4.320 0.000 0.000 0.257 21 K C -1.391 175.223 176.600 0.023 0.000 0.940 21 K CA -0.511 55.788 56.287 0.020 0.000 0.811 21 K CB 1.830 34.340 32.500 0.017 0.000 1.120 21 K HN 0.200 nan 8.250 nan 0.000 0.428 22 A N 2.923 125.759 122.820 0.027 0.000 2.462 22 A HA 0.064 4.384 4.320 0.000 0.000 0.243 22 A C -0.310 177.291 177.584 0.027 0.000 1.076 22 A CA -0.101 51.955 52.037 0.032 0.000 0.773 22 A CB 0.319 19.340 19.000 0.034 0.000 1.010 22 A HN 0.806 nan 8.150 nan 0.000 0.493 23 D N 2.470 122.889 120.400 0.032 0.000 2.479 23 D HA 0.454 5.094 4.640 0.000 0.000 0.218 23 D C 1.151 177.467 176.300 0.027 0.000 1.131 23 D CA 0.410 54.427 54.000 0.028 0.000 0.916 23 D CB 0.756 41.574 40.800 0.029 0.000 1.022 23 D HN 0.480 nan 8.370 nan 0.000 0.515 24 A N 3.803 126.634 122.820 0.018 0.000 1.892 24 A HA -0.139 4.181 4.320 0.000 0.000 0.218 24 A C 2.137 179.726 177.584 0.010 0.000 1.188 24 A CA 1.995 54.038 52.037 0.010 0.000 0.631 24 A CB -0.551 18.452 19.000 0.006 0.000 0.822 24 A HN 0.596 nan 8.150 nan 0.000 0.447 25 A N -0.010 122.818 122.820 0.013 0.000 1.877 25 A HA -0.221 4.099 4.320 0.000 0.000 0.216 25 A C 1.983 179.580 177.584 0.021 0.000 1.186 25 A CA 2.156 54.201 52.037 0.014 0.000 0.620 25 A CB -0.794 18.214 19.000 0.014 0.000 0.822 25 A HN 0.654 nan 8.150 nan 0.000 0.443 26 N N -0.296 118.421 118.700 0.027 0.000 2.120 26 N HA -0.204 4.536 4.740 0.000 0.000 0.188 26 N C 1.771 177.316 175.510 0.058 0.000 1.024 26 N CA 1.861 54.933 53.050 0.037 0.000 0.852 26 N CB -0.257 38.251 38.487 0.034 0.000 1.003 26 N HN 0.646 nan 8.380 nan 0.000 0.424 27 E N 0.197 120.431 120.200 0.058 0.000 2.077 27 E HA -0.259 4.091 4.350 0.000 0.000 0.193 27 E C 1.756 178.352 176.600 -0.007 0.000 0.989 27 E CA 1.471 57.906 56.400 0.058 0.000 0.800 27 E CB -0.177 29.532 29.700 0.015 0.000 0.746 27 E HN 0.686 nan 8.360 nan 0.000 0.452 28 E N 0.163 120.355 120.200 -0.012 0.000 2.106 28 E HA -0.253 4.097 4.350 0.000 0.000 0.192 28 E C 2.139 178.741 176.600 0.004 0.000 0.984 28 E CA 1.082 57.469 56.400 -0.022 0.000 0.806 28 E CB -0.268 29.424 29.700 -0.014 0.000 0.750 28 E HN 0.358 nan 8.360 nan 0.000 0.458 29 Q N 0.654 120.467 119.800 0.022 0.000 2.119 29 Q HA -0.049 4.291 4.340 0.000 0.000 0.201 29 Q C 2.410 178.438 176.000 0.048 0.000 0.972 29 Q CA 1.213 57.036 55.803 0.033 0.000 0.847 29 Q CB -0.068 28.691 28.738 0.035 0.000 0.903 29 Q HN 0.359 nan 8.270 nan 0.000 0.433 30 L N 0.579 121.846 121.223 0.074 0.000 2.027 30 L HA -0.195 4.145 4.340 0.000 0.000 0.206 30 L C 2.291 179.233 176.870 0.121 0.000 1.074 30 L CA 1.278 56.187 54.840 0.116 0.000 0.745 30 L CB -0.336 41.855 42.059 0.220 0.000 0.898 30 L HN 0.144 nan 8.230 nan 0.000 0.433 31 K N 0.058 120.504 120.400 0.076 0.000 2.147 31 K HA -0.233 4.087 4.320 0.000 0.000 0.205 31 K C 2.127 178.750 176.600 0.039 0.000 1.049 31 K CA 1.176 57.479 56.287 0.026 0.000 0.936 31 K CB -0.075 32.356 32.500 -0.116 0.000 0.722 31 K HN 0.194 nan 8.250 nan 0.000 0.446 32 K N 1.306 121.724 120.400 0.030 0.000 2.057 32 K HA -0.114 4.206 4.320 0.000 0.000 0.207 32 K C 1.974 178.595 176.600 0.036 0.000 1.049 32 K CA 1.103 57.409 56.287 0.031 0.000 0.931 32 K CB -0.005 32.510 32.500 0.025 0.000 0.714 32 K HN 0.047 nan 8.250 nan 0.000 0.440 33 I N 1.223 121.814 120.570 0.035 0.000 2.252 33 I HA -0.241 3.929 4.170 0.000 0.000 0.245 33 I C 2.064 178.185 176.117 0.006 0.000 1.102 33 I CA 1.337 62.649 61.300 0.019 0.000 1.385 33 I CB -0.195 37.813 38.000 0.013 0.000 1.064 33 I HN 0.254 nan 8.210 nan 0.000 0.414 34 E N 0.383 120.599 120.200 0.027 0.000 2.110 34 E HA -0.279 4.071 4.350 0.000 0.000 0.193 34 E C 1.979 178.593 176.600 0.023 0.000 0.988 34 E CA 1.178 57.573 56.400 -0.009 0.000 0.804 34 E CB -0.102 29.655 29.700 0.095 0.000 0.745 34 E HN 0.334 nan 8.360 nan 0.000 0.458 35 E N 1.633 121.899 120.200 0.110 0.000 2.072 35 E HA -0.220 4.130 4.350 0.000 0.000 0.191 35 E C 1.848 178.509 176.600 0.102 0.000 0.985 35 E CA 1.384 57.878 56.400 0.156 0.000 0.801 35 E CB -0.064 29.695 29.700 0.099 0.000 0.750 35 E HN 0.322 nan 8.360 nan 0.000 0.452 36 E N -0.286 119.943 120.200 0.049 0.000 2.110 36 E HA -0.164 4.186 4.350 0.000 0.000 0.193 36 E C 1.916 178.526 176.600 0.018 0.000 0.988 36 E CA 1.133 57.552 56.400 0.032 0.000 0.804 36 E CB -0.085 29.625 29.700 0.017 0.000 0.745 36 E HN 0.264 nan 8.360 nan 0.000 0.458 37 I N 1.024 121.577 120.570 -0.028 0.000 2.179 37 I HA -0.247 3.923 4.170 0.000 0.000 0.242 37 I C 2.103 178.199 176.117 -0.035 0.000 1.088 37 I CA 1.692 62.949 61.300 -0.072 0.000 1.357 37 I CB -1.429 36.470 38.000 -0.167 0.000 1.051 37 I HN 0.300 nan 8.210 nan 0.000 0.409 38 H N -0.275 118.820 119.070 0.041 0.000 2.387 38 H HA -0.224 4.332 4.556 0.000 0.000 0.299 38 H C 2.240 177.592 175.328 0.040 0.000 1.099 38 H CA 1.492 57.569 56.048 0.048 0.000 1.315 38 H CB 0.121 29.913 29.762 0.050 0.000 1.380 38 H HN 0.237 nan 8.280 nan 0.000 0.513 39 Q N 0.846 120.737 119.800 0.151 0.000 2.123 39 Q HA -0.058 4.282 4.340 0.000 0.000 0.199 39 Q C 2.067 178.108 176.000 0.068 0.000 0.966 39 Q CA 1.065 56.923 55.803 0.092 0.000 0.845 39 Q CB -0.186 28.593 28.738 0.067 0.000 0.907 39 Q HN 0.498 nan 8.270 nan 0.000 0.439 40 L N -0.436 120.820 121.223 0.055 0.000 2.093 40 L HA -0.133 4.207 4.340 0.000 0.000 0.208 40 L C 2.231 179.132 176.870 0.051 0.000 1.085 40 L CA 0.912 55.776 54.840 0.040 0.000 0.755 40 L CB -0.379 41.693 42.059 0.022 0.000 0.904 40 L HN 0.273 nan 8.230 nan 0.000 0.435 41 I N -0.139 120.473 120.570 0.070 0.000 2.202 41 I HA -0.316 3.854 4.170 0.000 0.000 0.242 41 I C 2.706 178.874 176.117 0.084 0.000 1.091 41 I CA 1.311 62.664 61.300 0.087 0.000 1.368 41 I CB -0.345 37.730 38.000 0.124 0.000 1.058 41 I HN 0.257 nan 8.210 nan 0.000 0.410 42 K N 1.338 121.790 120.400 0.088 0.000 2.063 42 K HA -0.242 4.078 4.320 0.000 0.000 0.208 42 K C 1.928 178.557 176.600 0.047 0.000 1.048 42 K CA 1.804 58.131 56.287 0.066 0.000 0.928 42 K CB -0.034 32.502 32.500 0.061 0.000 0.713 42 K HN 0.341 nan 8.250 nan 0.000 0.442 43 E N -0.169 120.058 120.200 0.044 0.000 2.051 43 E HA -0.173 4.177 4.350 0.000 0.000 0.192 43 E C 1.987 178.606 176.600 0.031 0.000 0.991 43 E CA 1.109 57.529 56.400 0.033 0.000 0.799 43 E CB -0.118 29.600 29.700 0.029 0.000 0.748 43 E HN 0.455 nan 8.360 nan 0.000 0.449 44 A N 1.122 123.964 122.820 0.037 0.000 1.930 44 A HA -0.235 4.085 4.320 0.000 0.000 0.217 44 A C 2.034 179.641 177.584 0.038 0.000 1.175 44 A CA 1.331 53.390 52.037 0.036 0.000 0.627 44 A CB -0.375 18.650 19.000 0.043 0.000 0.815 44 A HN 0.179 nan 8.150 nan 0.000 0.443 45 Q N -0.542 119.285 119.800 0.045 0.000 2.119 45 Q HA -0.157 4.183 4.340 0.000 0.000 0.201 45 Q C 1.837 177.850 176.000 0.023 0.000 0.972 45 Q CA 1.499 57.326 55.803 0.040 0.000 0.847 45 Q CB -0.159 28.609 28.738 0.050 0.000 0.903 45 Q HN 0.771 nan 8.270 nan 0.000 0.433 46 E N 0.957 121.169 120.200 0.021 0.000 2.216 46 E HA 0.045 4.395 4.350 0.000 0.000 0.192 46 E C 0.450 177.056 176.600 0.010 0.000 0.988 46 E CA 0.094 56.500 56.400 0.011 0.000 0.834 46 E CB 0.033 29.741 29.700 0.012 0.000 0.772 46 E HN 0.224 nan 8.360 nan 0.000 0.479 47 A N 1.462 124.291 122.820 0.015 0.000 2.587 47 A HA 0.324 4.644 4.320 0.000 0.000 0.233 47 A C 0.977 178.567 177.584 0.010 0.000 1.049 47 A CA 1.003 53.048 52.037 0.013 0.000 0.754 47 A CB -0.345 18.665 19.000 0.016 0.000 0.977 47 A HN 0.331 nan 8.150 nan 0.000 0.509 48 G N 0.843 109.648 108.800 0.008 0.000 2.416 48 G HA2 -0.078 3.882 3.960 0.000 0.000 0.203 48 G HA3 -0.078 3.882 3.960 0.000 0.000 0.203 48 G C -0.023 174.878 174.900 0.002 0.000 1.227 48 G CA 0.038 45.142 45.100 0.006 0.000 1.041 48 G HN 1.134 nan 8.290 nan 0.000 0.546 49 K N 0.964 121.364 120.400 -0.001 0.000 2.447 49 K HA 0.516 4.836 4.320 0.000 0.000 0.281 49 K C 0.987 177.582 176.600 -0.008 0.000 1.031 49 K CA 0.361 56.646 56.287 -0.005 0.000 1.019 49 K CB 0.230 32.726 32.500 -0.008 0.000 0.918 49 K HN 1.338 nan 8.250 nan 0.000 0.476 50 A N 4.270 127.086 122.820 -0.007 0.000 2.520 50 A HA -0.021 4.299 4.320 0.000 0.000 0.235 50 A C 0.475 178.049 177.584 -0.016 0.000 1.065 50 A CA -0.172 51.859 52.037 -0.009 0.000 0.764 50 A CB 0.190 19.186 19.000 -0.007 0.000 1.002 50 A HN 0.938 nan 8.150 nan 0.000 0.502 51 D N 1.716 122.104 120.400 -0.019 0.000 2.123 51 D HA -0.133 4.507 4.640 0.000 0.000 0.196 51 D C 2.230 178.515 176.300 -0.025 0.000 0.992 51 D CA 2.060 56.044 54.000 -0.027 0.000 0.833 51 D CB -0.403 40.380 40.800 -0.029 0.000 0.954 51 D HN 0.676 nan 8.370 nan 0.000 0.455 52 A N 1.138 123.946 122.820 -0.019 0.000 1.917 52 A HA -0.220 4.100 4.320 0.000 0.000 0.219 52 A C 1.794 179.369 177.584 -0.015 0.000 1.182 52 A CA 1.926 53.953 52.037 -0.016 0.000 0.633 52 A CB -0.431 18.562 19.000 -0.011 0.000 0.819 52 A HN 0.096 nan 8.150 nan 0.000 0.448 53 D N -0.529 119.863 120.400 -0.014 0.000 2.183 53 D HA -0.050 4.590 4.640 0.000 0.000 0.203 53 D C 2.074 178.364 176.300 -0.016 0.000 0.969 53 D CA 1.224 55.217 54.000 -0.012 0.000 0.842 53 D CB -0.302 40.493 40.800 -0.009 0.000 0.957 53 D HN 0.250 nan 8.370 nan 0.000 0.484 54 V N 1.972 121.872 119.914 -0.024 0.000 2.358 54 V HA -0.181 3.939 4.120 0.000 0.000 0.246 54 V C 1.923 177.996 176.094 -0.036 0.000 1.047 54 V CA 1.335 63.615 62.300 -0.033 0.000 1.035 54 V CB -0.365 31.430 31.823 -0.046 0.000 0.658 54 V HN 0.164 nan 8.190 nan 0.000 0.452 55 N N 0.800 119.480 118.700 -0.034 0.000 2.409 55 N HA -0.123 4.617 4.740 0.000 0.000 0.179 55 N C 1.805 177.303 175.510 -0.019 0.000 1.032 55 N CA 1.142 54.173 53.050 -0.031 0.000 0.898 55 N CB -0.296 38.173 38.487 -0.032 0.000 0.971 55 N HN 0.707 nan 8.380 nan 0.000 0.441 56 K N 1.917 122.308 120.400 -0.014 0.000 2.113 56 K HA -0.173 4.147 4.320 0.000 0.000 0.208 56 K C 0.956 177.554 176.600 -0.003 0.000 1.047 56 K CA 1.255 57.538 56.287 -0.008 0.000 0.928 56 K CB -0.169 32.327 32.500 -0.006 0.000 0.716 56 K HN 0.209 nan 8.250 nan 0.000 0.446 57 R N 0.055 120.552 120.500 -0.004 0.000 3.311 57 R HA 0.302 4.642 4.340 0.000 0.000 0.332 57 R C 0.387 176.690 176.300 0.005 0.000 1.317 57 R CA 0.043 56.146 56.100 0.004 0.000 1.192 57 R CB 0.189 30.493 30.300 0.007 0.000 1.454 57 R HN 0.361 nan 8.270 nan 0.000 0.605 58 G N 0.749 109.550 108.800 0.002 0.000 2.216 58 G HA2 -0.415 3.545 3.960 0.000 0.000 0.269 58 G HA3 -0.415 3.545 3.960 0.000 0.000 0.269 58 G C 0.068 174.958 174.900 -0.018 0.000 0.981 58 G CA 0.958 46.060 45.100 0.005 0.000 0.658 58 G HN 0.633 nan 8.290 nan 0.000 0.539 59 E N -0.150 120.027 120.200 -0.038 0.000 2.301 59 E HA 0.599 4.949 4.350 0.000 0.000 0.275 59 E C 0.584 177.123 176.600 -0.102 0.000 1.030 59 E CA -0.734 55.617 56.400 -0.081 0.000 0.852 59 E CB 0.385 30.040 29.700 -0.075 0.000 1.060 59 E HN 0.320 nan 8.360 nan 0.000 0.401 60 L N 2.629 123.756 121.223 -0.160 0.000 2.375 60 L HA 0.380 4.720 4.340 0.000 0.000 0.268 60 L C 0.715 177.468 176.870 -0.195 0.000 1.058 60 L CA -0.813 53.928 54.840 -0.165 0.000 0.803 60 L CB 1.622 43.571 42.059 -0.184 0.000 1.212 60 L HN 0.685 nan 8.230 nan 0.000 0.451 61 T N -1.804 112.657 114.554 -0.155 0.000 2.847 61 T HA 0.403 4.753 4.350 0.000 0.000 0.279 61 T C 1.097 175.694 174.700 -0.173 0.000 0.984 61 T CA -0.096 61.919 62.100 -0.142 0.000 0.988 61 T CB 1.561 70.370 68.868 -0.098 0.000 1.040 61 T HN 0.636 nan 8.240 nan 0.000 0.528 62 A N 0.709 123.443 122.820 -0.145 0.000 1.873 62 A HA -0.003 4.317 4.320 0.000 0.000 0.218 62 A C 2.386 179.864 177.584 -0.176 0.000 1.193 62 A CA 1.671 53.620 52.037 -0.147 0.000 0.629 62 A CB -1.287 17.661 19.000 -0.086 0.000 0.826 62 A HN 0.845 nan 8.150 nan 0.000 0.447 63 L N -1.006 120.124 121.223 -0.156 0.000 2.083 63 L HA -0.263 4.077 4.340 0.000 0.000 0.209 63 L C 2.903 179.644 176.870 -0.214 0.000 1.083 63 L CA 1.608 56.328 54.840 -0.201 0.000 0.752 63 L CB -0.508 41.469 42.059 -0.135 0.000 0.899 63 L HN 0.515 nan 8.230 nan 0.000 0.433 64 Q N -0.575 119.124 119.800 -0.168 0.000 2.119 64 Q HA -0.165 4.175 4.340 0.000 0.000 0.201 64 Q C 2.356 178.255 176.000 -0.169 0.000 0.972 64 Q CA 1.173 56.885 55.803 -0.152 0.000 0.847 64 Q CB -0.009 28.655 28.738 -0.124 0.000 0.903 64 Q HN 0.432 nan 8.270 nan 0.000 0.433 65 R N 0.292 120.676 120.500 -0.194 0.000 2.066 65 R HA -0.078 4.262 4.340 0.000 0.000 0.232 65 R C 2.238 178.425 176.300 -0.187 0.000 1.131 65 R CA 1.208 57.197 56.100 -0.186 0.000 0.955 65 R CB -0.260 29.900 30.300 -0.234 0.000 0.851 65 R HN 0.247 nan 8.270 nan 0.000 0.432 66 I N 0.681 121.091 120.570 -0.266 0.000 2.226 66 I HA -0.275 3.895 4.170 0.000 0.000 0.245 66 I C 2.529 178.435 176.117 -0.352 0.000 1.100 66 I CA 1.340 62.410 61.300 -0.384 0.000 1.374 66 I CB -0.295 37.280 38.000 -0.708 0.000 1.057 66 I HN 0.293 nan 8.210 nan 0.000 0.413 67 E N 1.437 121.454 120.200 -0.305 0.000 2.204 67 E HA -0.222 4.128 4.350 0.000 0.000 0.195 67 E C 1.849 178.363 176.600 -0.144 0.000 0.990 67 E CA 1.158 57.426 56.400 -0.220 0.000 0.821 67 E CB 0.165 29.760 29.700 -0.175 0.000 0.750 67 E HN 0.437 nan 8.360 nan 0.000 0.477 68 K N -0.310 120.012 120.400 -0.129 0.000 2.379 68 K HA 0.013 4.333 4.320 0.000 0.000 0.194 68 K C 1.731 178.284 176.600 -0.077 0.000 1.031 68 K CA -0.004 56.230 56.287 -0.088 0.000 1.037 68 K CB 0.332 32.788 32.500 -0.073 0.000 0.824 68 K HN 0.113 nan 8.250 nan 0.000 0.516 69 L N 0.782 121.948 121.223 -0.094 0.000 2.200 69 L HA 0.059 4.399 4.340 0.000 0.000 0.200 69 L C 0.620 177.457 176.870 -0.054 0.000 1.072 69 L CA 0.626 55.427 54.840 -0.064 0.000 0.787 69 L CB 0.249 42.273 42.059 -0.057 0.000 0.957 69 L HN -0.098 nan 8.230 nan 0.000 0.459 70 V N -1.059 118.815 119.914 -0.067 0.000 2.863 70 V HA 0.353 4.473 4.120 0.000 0.000 0.307 70 V C -0.070 175.997 176.094 -0.044 0.000 1.061 70 V CA -0.956 61.327 62.300 -0.028 0.000 1.024 70 V CB 0.734 32.593 31.823 0.061 0.000 1.049 70 V HN 0.340 nan 8.190 nan 0.000 0.471 71 E N 3.620 123.784 120.200 -0.059 0.000 2.366 71 E HA 0.227 4.577 4.350 0.000 0.000 0.266 71 E C -2.415 174.166 176.600 -0.032 0.000 1.015 71 E CA -1.451 54.910 56.400 -0.064 0.000 0.906 71 E CB 0.110 29.746 29.700 -0.107 0.000 0.979 71 E HN 0.615 nan 8.360 nan 0.000 0.443 72 P HA -0.125 nan 4.420 nan 0.000 0.261 72 P C 0.713 178.026 177.300 0.021 0.000 1.173 72 P CA 1.236 64.335 63.100 -0.002 0.000 0.760 72 P CB 0.388 32.083 31.700 -0.009 0.000 0.783 73 G N 2.575 111.409 108.800 0.057 0.000 2.199 73 G HA2 -0.302 3.658 3.960 0.000 0.000 0.254 73 G HA3 -0.302 3.658 3.960 0.000 0.000 0.254 73 G C 1.025 175.989 174.900 0.107 0.000 0.982 73 G CA 0.498 45.645 45.100 0.079 0.000 0.632 73 G HN 0.634 nan 8.290 nan 0.000 0.529 74 S N -1.262 114.500 115.700 0.103 0.000 2.535 74 S HA 0.172 4.642 4.470 0.000 0.000 0.214 74 S C 0.885 175.642 174.600 0.262 0.000 0.980 74 S CA 0.102 58.374 58.200 0.120 0.000 0.907 74 S CB -0.089 63.023 63.200 -0.146 0.000 0.790 74 S HN 0.659 nan 8.310 nan 0.000 0.510 75 W N 3.424 124.742 121.300 0.030 0.000 2.381 75 W HA 0.275 4.935 4.660 0.000 0.000 0.321 75 W C -0.693 175.814 176.519 -0.021 0.000 1.407 75 W CA -0.541 56.818 57.345 0.024 0.000 1.274 75 W CB 0.430 29.894 29.460 0.008 0.000 1.310 75 W HN 0.100 nan 8.180 nan 0.000 0.551 76 R N 6.657 126.729 120.500 -0.713 0.000 2.363 76 R HA 0.280 4.620 4.340 0.000 0.000 0.297 76 R C -2.504 173.242 176.300 -0.923 0.000 1.208 76 R CA -2.043 53.547 56.100 -0.850 0.000 1.121 76 R CB 0.866 30.553 30.300 -1.021 0.000 1.124 76 R HN 0.247 nan 8.270 nan 0.000 0.561 77 P HA 0.066 nan 4.420 nan 0.000 0.264 77 P C -0.447 176.765 177.300 -0.146 0.000 1.183 77 P CA 0.311 63.205 63.100 -0.343 0.000 0.763 77 P CB 0.631 32.357 31.700 0.043 0.000 0.807 78 L N 3.474 124.586 121.223 -0.185 0.000 2.436 78 L HA 0.357 4.697 4.340 0.000 0.000 0.268 78 L C 0.422 177.240 176.870 -0.086 0.000 0.974 78 L CA -0.606 54.139 54.840 -0.158 0.000 0.826 78 L CB 1.566 43.443 42.059 -0.303 0.000 1.291 78 L HN 0.453 nan 8.230 nan 0.000 0.406 79 N N -0.092 118.571 118.700 -0.061 0.000 2.714 79 N HA -0.256 4.484 4.740 0.000 0.000 0.250 79 N C 1.201 176.767 175.510 0.093 0.000 1.117 79 N CA 0.720 53.767 53.050 -0.006 0.000 0.719 79 N CB -0.601 37.807 38.487 -0.131 0.000 1.081 79 N HN 0.952 nan 8.380 nan 0.000 0.557 80 T N -2.411 112.191 114.554 0.080 0.000 2.759 80 T HA -0.146 4.204 4.350 0.000 0.000 0.269 80 T C 1.255 176.021 174.700 0.109 0.000 1.042 80 T CA 0.960 63.123 62.100 0.106 0.000 1.140 80 T CB 0.018 68.950 68.868 0.108 0.000 0.864 80 T HN 0.157 nan 8.240 nan 0.000 0.455 81 L N -0.184 121.102 121.223 0.105 0.000 2.607 81 L HA 0.482 4.822 4.340 0.000 0.000 0.228 81 L C 0.250 177.195 176.870 0.126 0.000 1.123 81 L CA -0.828 54.066 54.840 0.090 0.000 0.890 81 L CB -1.066 41.025 42.059 0.052 0.000 1.103 81 L HN 0.298 nan 8.230 nan 0.000 0.468 82 F N 1.742 121.691 119.950 -0.002 0.000 2.590 82 F HA 0.044 4.571 4.527 -0.000 0.000 0.389 82 F C 0.963 176.761 175.800 -0.004 0.000 1.049 82 F CA 0.433 58.429 58.000 -0.007 0.000 1.199 82 F CB -0.085 38.910 39.000 -0.008 0.000 1.058 82 F HN 0.220 nan 8.300 nan 0.000 0.556 83 N N 7.695 126.117 118.700 -0.463 0.000 2.725 83 N HA 0.129 4.869 4.740 0.000 0.000 0.225 83 N C -2.169 173.083 175.510 -0.430 0.000 1.465 83 N CA -0.889 51.931 53.050 -0.383 0.000 0.830 83 N CB 0.740 39.135 38.487 -0.154 0.000 1.460 83 N HN 0.271 nan 8.380 nan 0.000 0.538 84 P HA -0.195 nan 4.420 nan 0.000 0.216 84 P C 0.449 177.610 177.300 -0.232 0.000 1.150 84 P CA 1.386 64.224 63.100 -0.437 0.000 0.843 84 P CB 0.310 31.705 31.700 -0.509 0.000 0.787 85 Q N -0.951 118.725 119.800 -0.206 0.000 2.222 85 Q HA 0.300 4.640 4.340 0.000 0.000 0.206 85 Q C 0.669 176.616 176.000 -0.088 0.000 0.877 85 Q CA 0.127 55.861 55.803 -0.115 0.000 0.958 85 Q CB -0.055 28.633 28.738 -0.083 0.000 1.075 85 Q HN 0.234 nan 8.270 nan 0.000 0.483 86 G N 2.530 111.266 108.800 -0.107 0.000 2.371 86 G HA2 -0.241 3.719 3.960 0.000 0.000 0.299 86 G HA3 -0.241 3.719 3.960 0.000 0.000 0.299 86 G C -0.309 174.562 174.900 -0.048 0.000 1.014 86 G CA -0.122 44.934 45.100 -0.073 0.000 1.097 86 G HN 0.300 nan 8.290 nan 0.000 0.512 87 N N 0.219 118.889 118.700 -0.050 0.000 2.454 87 N HA 0.118 4.858 4.740 0.000 0.000 0.254 87 N C 1.870 177.371 175.510 -0.016 0.000 1.228 87 N CA 0.598 53.634 53.050 -0.023 0.000 0.900 87 N CB 0.688 39.165 38.487 -0.016 0.000 1.089 87 N HN 0.746 nan 8.380 nan 0.000 0.449 88 K N 1.309 121.706 120.400 -0.005 0.000 2.103 88 K HA -0.223 4.097 4.320 0.000 0.000 0.207 88 K C 0.767 177.368 176.600 0.002 0.000 1.048 88 K CA 1.684 57.971 56.287 -0.001 0.000 0.930 88 K CB -0.230 32.273 32.500 0.005 0.000 0.716 88 K HN 0.494 nan 8.250 nan 0.000 0.444 89 N N 0.616 119.319 118.700 0.005 0.000 2.521 89 N HA 0.015 4.755 4.740 0.000 0.000 0.188 89 N C 1.014 176.529 175.510 0.009 0.000 1.146 89 N CA 0.773 53.828 53.050 0.009 0.000 0.893 89 N CB 0.075 38.570 38.487 0.014 0.000 0.975 89 N HN 0.507 nan 8.380 nan 0.000 0.451 90 G N -1.396 107.403 108.800 -0.001 0.000 2.168 90 G HA2 -0.279 3.681 3.960 0.000 0.000 0.257 90 G HA3 -0.279 3.681 3.960 0.000 0.000 0.257 90 G C -0.099 174.803 174.900 0.004 0.000 0.997 90 G CA 0.722 45.820 45.100 -0.004 0.000 0.708 90 G HN 0.816 nan 8.290 nan 0.000 0.520 91 S N -1.881 113.824 115.700 0.009 0.000 2.632 91 S HA 0.682 5.152 4.470 0.000 0.000 0.289 91 S C 0.779 175.394 174.600 0.025 0.000 1.115 91 S CA 0.302 58.519 58.200 0.028 0.000 0.889 91 S CB 2.089 65.313 63.200 0.040 0.000 1.116 91 S HN 1.496 nan 8.310 nan 0.000 0.486 92 V N 0.807 120.754 119.914 0.055 0.000 3.214 92 V HA 0.709 4.829 4.120 0.000 0.000 0.330 92 V C 0.896 177.039 176.094 0.082 0.000 1.403 92 V CA 0.290 62.628 62.300 0.063 0.000 1.143 92 V CB -0.668 31.220 31.823 0.108 0.000 1.098 92 V HN 1.954 nan 8.190 nan 0.000 0.463 93 A N 1.018 123.882 122.820 0.073 0.000 2.872 93 A HA -0.167 4.153 4.320 0.000 0.000 0.273 93 A C 0.210 177.841 177.584 0.080 0.000 1.442 93 A CA 1.587 53.669 52.037 0.074 0.000 0.801 93 A CB -2.541 16.510 19.000 0.086 0.000 1.031 93 A HN 1.810 nan 8.150 nan 0.000 0.582 94 I N -4.668 115.950 120.570 0.080 0.000 2.894 94 I HA 0.806 4.976 4.170 0.000 0.000 0.302 94 I C -0.468 175.698 176.117 0.080 0.000 1.188 94 I CA -1.466 59.878 61.300 0.073 0.000 1.014 94 I CB 2.424 40.463 38.000 0.066 0.000 1.242 94 I HN -0.034 nan 8.210 nan 0.000 0.430 95 V N 3.933 123.895 119.914 0.081 0.000 2.350 95 V HA 0.485 4.605 4.120 0.000 0.000 0.285 95 V C -0.092 176.116 176.094 0.191 0.000 1.014 95 V CA -0.370 62.010 62.300 0.132 0.000 0.831 95 V CB 1.319 33.197 31.823 0.092 0.000 1.000 95 V HN 0.793 nan 8.190 nan 0.000 0.433 96 K N 3.172 123.692 120.400 0.200 0.000 2.340 96 K HA 0.907 5.227 4.320 0.000 0.000 0.244 96 K C -0.166 176.458 176.600 0.040 0.000 0.973 96 K CA -0.179 56.192 56.287 0.139 0.000 0.828 96 K CB 2.462 34.952 32.500 -0.017 0.000 1.226 96 K HN 0.872 nan 8.250 nan 0.000 0.437 97 G N 1.204 109.859 108.800 -0.241 0.000 2.349 97 G HA2 0.327 4.287 3.960 0.000 0.000 0.294 97 G HA3 0.327 4.287 3.960 0.000 0.000 0.294 97 G C -2.374 172.093 174.900 -0.722 0.000 1.380 97 G CA -0.866 43.701 45.100 -0.889 0.000 0.811 97 G HN 0.384 nan 8.290 nan 0.000 0.519 98 L N 0.625 121.401 121.223 -0.745 0.000 2.309 98 L HA 0.873 5.213 4.340 0.000 0.000 0.282 98 L C 0.793 177.626 176.870 -0.061 0.000 1.036 98 L CA 0.267 54.926 54.840 -0.301 0.000 0.806 98 L CB 1.389 43.223 42.059 -0.375 0.000 1.220 98 L HN 1.176 nan 8.230 nan 0.000 0.429 99 G N 2.881 111.871 108.800 0.317 0.000 2.698 99 G HA2 0.478 4.438 3.960 0.000 0.000 0.293 99 G HA3 0.478 4.438 3.960 0.000 0.000 0.293 99 G C -1.321 173.603 174.900 0.040 0.000 1.437 99 G CA -0.915 44.393 45.100 0.347 0.000 0.852 99 G HN 0.324 nan 8.290 nan 0.000 0.499 100 R N 0.411 120.704 120.500 -0.345 0.000 2.234 100 R HA 0.445 4.785 4.340 0.000 0.000 0.324 100 R C -0.851 175.331 176.300 -0.197 0.000 1.054 100 R CA -0.426 55.364 56.100 -0.517 0.000 0.912 100 R CB 1.688 31.550 30.300 -0.730 0.000 1.030 100 R HN 0.208 nan 8.270 nan 0.000 0.455 101 V N 3.691 123.531 119.914 -0.123 0.000 2.350 101 V HA 0.123 4.243 4.120 0.000 0.000 0.285 101 V C 0.721 176.781 176.094 -0.057 0.000 1.014 101 V CA -0.789 61.480 62.300 -0.052 0.000 0.831 101 V CB 1.013 32.843 31.823 0.010 0.000 1.000 101 V HN 0.985 nan 8.190 nan 0.000 0.433 102 N N 3.948 122.611 118.700 -0.061 0.000 2.714 102 N HA -0.246 4.494 4.740 0.000 0.000 0.252 102 N C 1.100 176.575 175.510 -0.059 0.000 1.014 102 N CA 0.691 53.711 53.050 -0.051 0.000 0.735 102 N CB -0.643 37.827 38.487 -0.029 0.000 0.924 102 N HN 1.426 nan 8.380 nan 0.000 0.540 103 G N -0.669 108.072 108.800 -0.099 0.000 2.176 103 G HA2 -0.309 3.651 3.960 0.000 0.000 0.253 103 G HA3 -0.309 3.651 3.960 0.000 0.000 0.253 103 G C -0.192 174.642 174.900 -0.109 0.000 0.979 103 G CA 0.822 45.862 45.100 -0.101 0.000 0.641 103 G HN 0.505 nan 8.290 nan 0.000 0.530 104 K N -0.647 119.689 120.400 -0.107 0.000 2.324 104 K HA 0.422 4.742 4.320 0.000 0.000 0.253 104 K C -0.688 175.871 176.600 -0.069 0.000 0.932 104 K CA -0.937 55.324 56.287 -0.044 0.000 0.799 104 K CB 1.602 34.126 32.500 0.041 0.000 1.154 104 K HN 0.144 nan 8.250 nan 0.000 0.425 105 W N 2.034 123.359 121.300 0.043 0.000 2.253 105 W HA 0.128 4.788 4.660 0.000 0.000 0.322 105 W C -0.000 176.533 176.519 0.024 0.000 1.342 105 W CA -0.165 57.194 57.345 0.023 0.000 1.218 105 W CB 0.684 30.150 29.460 0.009 0.000 1.205 105 W HN 0.391 nan 8.180 nan 0.000 0.551 106 C N 2.409 121.889 119.300 0.300 0.000 2.994 106 C HA 0.485 4.945 4.460 0.000 0.000 0.305 106 C C -0.136 174.935 174.990 0.135 0.000 1.251 106 C CA -1.092 58.033 59.018 0.178 0.000 1.478 106 C CB 1.112 28.930 27.740 0.129 0.000 1.922 106 C HN 0.287 nan 8.230 nan 0.000 0.472 107 V N 2.860 122.812 119.914 0.064 0.000 2.432 107 V HA 0.377 4.497 4.120 0.000 0.000 0.271 107 V C -0.080 176.017 176.094 0.004 0.000 1.046 107 V CA 0.004 62.298 62.300 -0.010 0.000 0.945 107 V CB 1.153 32.950 31.823 -0.044 0.000 0.992 107 V HN 0.657 nan 8.190 nan 0.000 0.471 108 V N 6.225 126.164 119.914 0.042 0.000 2.417 108 V HA 0.498 4.618 4.120 0.000 0.000 0.291 108 V C -0.195 175.931 176.094 0.055 0.000 1.024 108 V CA -0.523 61.840 62.300 0.106 0.000 0.861 108 V CB 1.943 33.966 31.823 0.333 0.000 0.985 108 V HN 0.573 nan 8.190 nan 0.000 0.436 109 V N 4.063 123.917 119.914 -0.100 0.000 2.483 109 V HA 0.823 4.943 4.120 0.000 0.000 0.297 109 V C 0.103 176.155 176.094 -0.070 0.000 1.027 109 V CA -0.436 61.766 62.300 -0.164 0.000 0.855 109 V CB 1.709 33.225 31.823 -0.511 0.000 0.995 109 V HN 0.990 nan 8.190 nan 0.000 0.424 110 A N 3.380 126.207 122.820 0.012 0.000 2.343 110 A HA 0.766 5.086 4.320 0.000 0.000 0.316 110 A C 0.069 177.676 177.584 0.039 0.000 1.104 110 A CA -0.485 51.569 52.037 0.029 0.000 0.768 110 A CB 1.316 20.307 19.000 -0.014 0.000 1.213 110 A HN 0.689 nan 8.150 nan 0.000 0.456 111 S N 1.722 117.459 115.700 0.062 0.000 2.525 111 S HA 0.093 4.563 4.470 0.000 0.000 0.285 111 S C -0.045 174.568 174.600 0.023 0.000 1.283 111 S CA 0.041 58.279 58.200 0.063 0.000 1.072 111 S CB 0.369 63.619 63.200 0.083 0.000 0.867 111 S HN 0.678 nan 8.310 nan 0.000 0.492 112 D N 2.613 123.032 120.400 0.032 0.000 2.453 112 D HA 0.057 4.697 4.640 0.000 0.000 0.223 112 D C 0.875 177.178 176.300 0.005 0.000 1.183 112 D CA -0.474 53.533 54.000 0.011 0.000 0.933 112 D CB 0.027 40.843 40.800 0.027 0.000 1.038 112 D HN 0.523 nan 8.370 nan 0.000 0.513 113 N N 2.774 121.461 118.700 -0.021 0.000 2.571 113 N HA -0.132 4.608 4.740 0.000 0.000 0.189 113 N C 0.749 176.247 175.510 -0.020 0.000 1.154 113 N CA 0.460 53.497 53.050 -0.022 0.000 0.907 113 N CB -0.035 38.422 38.487 -0.050 0.000 0.977 113 N HN 0.326 nan 8.380 nan 0.000 0.449 114 K N -0.045 120.346 120.400 -0.016 0.000 2.361 114 K HA 0.127 4.447 4.320 0.000 0.000 0.196 114 K C -0.084 176.516 176.600 -0.000 0.000 1.039 114 K CA 0.465 56.745 56.287 -0.012 0.000 1.001 114 K CB 0.328 32.821 32.500 -0.012 0.000 0.795 114 K HN 0.172 nan 8.250 nan 0.000 0.495 115 K N 1.526 121.931 120.400 0.008 0.000 2.414 115 K HA 0.268 4.588 4.320 0.000 0.000 0.251 115 K C -0.495 176.115 176.600 0.016 0.000 1.037 115 K CA -0.198 56.098 56.287 0.016 0.000 0.980 115 K CB 0.867 33.383 32.500 0.026 0.000 1.280 115 K HN -0.006 nan 8.250 nan 0.000 0.451 116 L N 1.772 122.999 121.223 0.007 0.000 3.737 116 L HA -0.357 3.983 4.340 0.000 0.000 0.418 116 L C 0.332 177.198 176.870 -0.007 0.000 1.216 116 L CA 0.634 55.472 54.840 -0.003 0.000 0.915 116 L CB -1.831 40.225 42.059 -0.006 0.000 1.834 116 L HN 0.996 nan 8.230 nan 0.000 0.943 117 A N -1.293 121.527 122.820 -0.001 0.000 2.745 117 A HA 0.072 4.392 4.320 0.000 0.000 0.296 117 A C 1.627 179.219 177.584 0.014 0.000 1.500 117 A CA 1.348 53.385 52.037 0.000 0.000 0.766 117 A CB -1.755 17.241 19.000 -0.007 0.000 1.030 117 A HN 2.264 nan 8.150 nan 0.000 0.489 118 G N -2.725 106.094 108.800 0.031 0.000 2.153 118 G HA2 0.150 4.110 3.960 0.000 0.000 0.252 118 G HA3 0.150 4.110 3.960 0.000 0.000 0.252 118 G C 0.960 175.923 174.900 0.106 0.000 0.994 118 G CA 1.130 46.272 45.100 0.069 0.000 0.698 118 G HN 2.574 nan 8.290 nan 0.000 0.521 119 A N -0.570 122.287 122.820 0.061 0.000 2.507 119 A HA 0.432 4.752 4.320 0.000 0.000 0.235 119 A C 0.616 178.342 177.584 0.236 0.000 1.070 119 A CA 0.187 52.257 52.037 0.055 0.000 0.768 119 A CB 0.217 19.199 19.000 -0.030 0.000 1.011 119 A HN 0.677 nan 8.150 nan 0.000 0.502 120 W N 1.603 122.920 121.300 0.027 0.000 2.308 120 W HA 0.417 5.077 4.660 0.000 0.000 0.324 120 W C 0.238 176.779 176.519 0.037 0.000 1.387 120 W CA -0.238 57.141 57.345 0.057 0.000 1.250 120 W CB -0.190 29.325 29.460 0.092 0.000 1.257 120 W HN 0.642 nan 8.180 nan 0.000 0.554 121 V N 1.734 121.784 119.914 0.225 0.000 3.074 121 V HA 0.654 4.774 4.120 0.000 0.000 0.314 121 V C -2.574 173.569 176.094 0.082 0.000 1.117 121 V CA -3.700 58.678 62.300 0.131 0.000 1.014 121 V CB 1.585 33.459 31.823 0.086 0.000 1.057 121 V HN 0.200 nan 8.190 nan 0.000 0.438 122 P HA 0.300 nan 4.420 nan 0.000 0.261 122 P C 0.982 178.266 177.300 -0.027 0.000 1.183 122 P CA 2.063 65.171 63.100 0.014 0.000 0.761 122 P CB 0.560 32.263 31.700 0.005 0.000 0.785 123 G N 2.487 111.265 108.800 -0.037 0.000 2.258 123 G HA2 -0.328 3.632 3.960 0.000 0.000 0.233 123 G HA3 -0.328 3.632 3.960 0.000 0.000 0.233 123 G C 1.215 176.152 174.900 0.061 0.000 1.006 123 G CA 0.406 45.471 45.100 -0.059 0.000 0.620 123 G HN 0.544 nan 8.290 nan 0.000 0.511 124 Q N 0.562 120.382 119.800 0.033 0.000 2.050 124 Q HA 0.090 4.430 4.340 0.000 0.000 0.202 124 Q C 2.957 178.948 176.000 -0.014 0.000 0.980 124 Q CA 2.499 58.325 55.803 0.039 0.000 0.840 124 Q CB -0.365 28.373 28.738 0.000 0.000 0.898 124 Q HN 1.037 nan 8.270 nan 0.000 0.424 125 A N 0.742 123.492 122.820 -0.115 0.000 1.892 125 A HA -0.279 4.041 4.320 0.000 0.000 0.218 125 A C 1.908 179.456 177.584 -0.060 0.000 1.188 125 A CA 1.979 53.911 52.037 -0.176 0.000 0.631 125 A CB -0.828 18.031 19.000 -0.235 0.000 0.822 125 A HN 0.483 nan 8.150 nan 0.000 0.447 126 E N -0.653 119.566 120.200 0.031 0.000 2.110 126 E HA -0.175 4.175 4.350 0.000 0.000 0.193 126 E C 1.986 178.616 176.600 0.050 0.000 0.988 126 E CA 1.182 57.635 56.400 0.089 0.000 0.804 126 E CB -0.776 29.066 29.700 0.236 0.000 0.745 126 E HN 0.566 nan 8.360 nan 0.000 0.458 127 C N -0.416 118.966 119.300 0.137 0.000 2.435 127 C HA 0.010 4.470 4.460 0.000 0.000 0.279 127 C C 2.439 177.382 174.990 -0.077 0.000 1.321 127 C CA 0.500 59.483 59.018 -0.059 0.000 1.752 127 C CB -1.104 26.714 27.740 0.130 0.000 1.959 127 C HN 0.446 nan 8.230 nan 0.000 0.500 128 L N 0.027 121.235 121.223 -0.025 0.000 2.179 128 L HA -0.032 4.308 4.340 0.000 0.000 0.208 128 L C 2.517 179.380 176.870 -0.012 0.000 1.096 128 L CA 1.029 55.868 54.840 -0.002 0.000 0.779 128 L CB -0.485 41.611 42.059 0.062 0.000 0.922 128 L HN 0.352 nan 8.230 nan 0.000 0.443 129 L N -0.638 120.561 121.223 -0.039 0.000 2.093 129 L HA -0.155 4.185 4.340 0.000 0.000 0.208 129 L C 2.769 179.610 176.870 -0.049 0.000 1.085 129 L CA 1.098 55.914 54.840 -0.040 0.000 0.755 129 L CB -0.453 41.574 42.059 -0.053 0.000 0.904 129 L HN 0.205 nan 8.230 nan 0.000 0.435 130 R N -0.065 120.383 120.500 -0.086 0.000 2.115 130 R HA -0.110 4.230 4.340 0.000 0.000 0.230 130 R C 2.432 178.684 176.300 -0.079 0.000 1.111 130 R CA 1.168 57.206 56.100 -0.102 0.000 0.976 130 R CB -0.405 29.777 30.300 -0.197 0.000 0.870 130 R HN 0.349 nan 8.270 nan 0.000 0.445 131 A N 1.289 124.058 122.820 -0.085 0.000 1.858 131 A HA -0.207 4.113 4.320 0.000 0.000 0.216 131 A C 2.272 179.835 177.584 -0.036 0.000 1.190 131 A CA 2.065 54.053 52.037 -0.082 0.000 0.617 131 A CB -0.700 18.234 19.000 -0.110 0.000 0.827 131 A HN 0.436 nan 8.150 nan 0.000 0.443 132 S N 0.090 115.789 115.700 -0.002 0.000 2.382 132 S HA -0.187 4.283 4.470 0.000 0.000 0.228 132 S C 1.433 176.037 174.600 0.008 0.000 1.027 132 S CA 1.494 59.709 58.200 0.025 0.000 0.991 132 S CB -0.569 62.667 63.200 0.059 0.000 0.823 132 S HN 0.493 nan 8.310 nan 0.000 0.469 133 D N 1.785 122.184 120.400 -0.001 0.000 2.117 133 D HA -0.035 4.605 4.640 0.000 0.000 0.197 133 D C 2.087 178.401 176.300 0.023 0.000 0.987 133 D CA 1.689 55.691 54.000 0.003 0.000 0.829 133 D CB -0.894 39.901 40.800 -0.007 0.000 0.961 133 D HN 0.450 nan 8.370 nan 0.000 0.460 134 T N 0.467 115.040 114.554 0.030 0.000 2.746 134 T HA -0.117 4.233 4.350 0.000 0.000 0.267 134 T C 1.981 176.717 174.700 0.059 0.000 1.039 134 T CA 1.517 63.663 62.100 0.077 0.000 1.142 134 T CB -0.290 68.616 68.868 0.063 0.000 0.866 134 T HN 0.191 nan 8.240 nan 0.000 0.444 135 A N 1.494 124.326 122.820 0.021 0.000 1.933 135 A HA -0.104 4.216 4.320 0.000 0.000 0.218 135 A C 2.217 179.781 177.584 -0.033 0.000 1.175 135 A CA 1.940 53.981 52.037 0.007 0.000 0.628 135 A CB -0.512 18.491 19.000 0.004 0.000 0.814 135 A HN 0.498 nan 8.150 nan 0.000 0.444 136 K N -0.905 119.471 120.400 -0.039 0.000 2.025 136 K HA -0.123 4.197 4.320 0.000 0.000 0.207 136 K C 1.972 178.566 176.600 -0.010 0.000 1.049 136 K CA 1.845 58.080 56.287 -0.086 0.000 0.933 136 K CB -0.332 32.147 32.500 -0.036 0.000 0.714 136 K HN 0.410 nan 8.250 nan 0.000 0.438 137 T N 1.415 115.998 114.554 0.049 0.000 2.777 137 T HA -0.065 4.285 4.350 0.000 0.000 0.266 137 T C 1.622 176.394 174.700 0.120 0.000 1.040 137 T CA 1.172 63.329 62.100 0.095 0.000 1.141 137 T CB 0.004 68.929 68.868 0.095 0.000 0.868 137 T HN 0.174 nan 8.240 nan 0.000 0.444 138 L N -0.750 120.532 121.223 0.098 0.000 2.529 138 L HA 0.235 4.575 4.340 0.000 0.000 0.223 138 L C 0.324 177.273 176.870 0.133 0.000 1.113 138 L CA 0.147 55.028 54.840 0.068 0.000 0.861 138 L CB -0.320 41.766 42.059 0.045 0.000 1.012 138 L HN 0.344 nan 8.230 nan 0.000 0.461 139 H N -0.767 118.312 119.070 0.015 0.000 2.748 139 H HA -0.108 4.448 4.556 -0.000 0.000 0.322 139 H C -0.542 174.817 175.328 0.051 0.000 1.208 139 H CA 0.554 56.620 56.048 0.029 0.000 1.151 139 H CB -1.129 28.642 29.762 0.016 0.000 1.505 139 H HN 0.175 nan 8.280 nan 0.000 0.429 140 V N -2.735 117.229 119.914 0.084 0.000 3.001 140 V HA 0.810 4.930 4.120 0.000 0.000 0.314 140 V C -2.441 173.699 176.094 0.076 0.000 1.099 140 V CA -2.637 59.727 62.300 0.107 0.000 0.989 140 V CB 2.648 34.549 31.823 0.129 0.000 1.040 140 V HN -0.028 nan 8.190 nan 0.000 0.434 141 P HA 0.282 nan 4.420 nan 0.000 0.268 141 P C -0.963 176.384 177.300 0.078 0.000 1.208 141 P CA -0.043 63.107 63.100 0.084 0.000 0.777 141 P CB 0.387 32.146 31.700 0.097 0.000 0.875 142 L N 4.253 125.525 121.223 0.082 0.000 2.287 142 L HA 0.434 4.774 4.340 0.000 0.000 0.287 142 L C -1.149 175.787 176.870 0.109 0.000 1.022 142 L CA -0.363 54.520 54.840 0.072 0.000 0.814 142 L CB 1.254 43.370 42.059 0.095 0.000 1.217 142 L HN 0.033 nan 8.230 nan 0.000 0.420 143 V N 6.060 126.011 119.914 0.062 0.000 2.417 143 V HA 0.398 4.518 4.120 0.000 0.000 0.291 143 V C -0.870 175.258 176.094 0.057 0.000 1.024 143 V CA -0.493 61.870 62.300 0.105 0.000 0.861 143 V CB 1.281 33.164 31.823 0.100 0.000 0.985 143 V HN 0.592 nan 8.190 nan 0.000 0.436 144 Y N 2.912 123.271 120.300 0.098 0.000 2.331 144 Y HA 0.535 5.085 4.550 -0.000 0.000 0.338 144 Y C 0.175 176.137 175.900 0.104 0.000 0.992 144 Y CA -0.579 57.580 58.100 0.098 0.000 1.121 144 Y CB 2.144 40.671 38.460 0.112 0.000 1.184 144 Y HN 0.363 nan 8.280 nan 0.000 0.469 145 V N 6.346 126.404 119.914 0.240 0.000 2.220 145 V HA 0.177 4.297 4.120 0.000 0.000 0.265 145 V C -0.474 175.758 176.094 0.231 0.000 1.078 145 V CA -0.578 61.854 62.300 0.220 0.000 0.872 145 V CB 0.339 32.225 31.823 0.105 0.000 1.121 145 V HN 0.490 nan 8.190 nan 0.000 0.460 146 L N 3.673 125.067 121.223 0.284 0.000 2.349 146 L HA 0.551 4.891 4.340 0.000 0.000 0.275 146 L C 0.350 177.360 176.870 0.234 0.000 1.115 146 L CA 0.793 55.774 54.840 0.234 0.000 0.820 146 L CB 0.754 42.925 42.059 0.186 0.000 1.135 146 L HN 0.537 nan 8.230 nan 0.000 0.445 147 N N 3.424 122.217 118.700 0.156 0.000 2.805 147 N HA 0.055 4.795 4.740 0.000 0.000 0.216 147 N C -1.874 173.690 175.510 0.090 0.000 1.447 147 N CA -0.327 52.797 53.050 0.123 0.000 0.785 147 N CB 0.414 38.937 38.487 0.061 0.000 1.458 147 N HN 0.563 nan 8.380 nan 0.000 0.547 148 C N 2.433 121.791 119.300 0.097 0.000 2.258 148 C HA 0.438 4.898 4.460 0.000 0.000 0.321 148 C C 1.994 176.994 174.990 0.016 0.000 1.168 148 C CA -0.227 58.841 59.018 0.084 0.000 1.531 148 C CB -1.117 26.718 27.740 0.158 0.000 2.095 148 C HN 0.631 nan 8.230 nan 0.000 0.449 149 S N 4.107 119.797 115.700 -0.017 0.000 2.423 149 S HA 0.347 4.817 4.470 0.000 0.000 0.231 149 S C 1.065 175.579 174.600 -0.144 0.000 1.014 149 S CA 1.075 59.240 58.200 -0.058 0.000 0.965 149 S CB -0.103 63.065 63.200 -0.054 0.000 0.785 149 S HN 1.755 nan 8.310 nan 0.000 0.495 150 G N -0.107 108.551 108.800 -0.238 0.000 2.384 150 G HA2 0.258 4.218 3.960 0.000 0.000 0.113 150 G HA3 0.258 4.218 3.960 0.000 0.000 0.113 150 G C -1.380 173.196 174.900 -0.539 0.000 1.224 150 G CA -0.272 44.575 45.100 -0.420 0.000 1.126 150 G HN 0.605 nan 8.290 nan 0.000 0.461 151 V N 1.079 120.671 119.914 -0.538 0.000 2.715 151 V HA 0.616 4.736 4.120 0.000 0.000 0.310 151 V C 0.285 176.122 176.094 -0.429 0.000 1.054 151 V CA -0.673 61.414 62.300 -0.355 0.000 0.928 151 V CB 1.797 33.505 31.823 -0.193 0.000 1.007 151 V HN 0.745 nan 8.190 nan 0.000 0.437 152 K N 3.200 123.530 120.400 -0.116 0.000 2.127 152 K HA 0.250 4.570 4.320 0.000 0.000 0.261 152 K C 0.794 177.415 176.600 0.035 0.000 1.129 152 K CA -0.071 56.174 56.287 -0.071 0.000 0.993 152 K CB -0.383 32.139 32.500 0.036 0.000 1.410 152 K HN 0.624 nan 8.250 nan 0.000 0.380 153 F N 1.453 121.431 119.950 0.046 0.000 2.135 153 F HA -0.364 4.163 4.527 -0.000 0.000 0.300 153 F C 2.053 177.878 175.800 0.042 0.000 1.074 153 F CA 1.130 59.151 58.000 0.035 0.000 1.262 153 F CB -0.015 38.993 39.000 0.012 0.000 1.013 153 F HN 0.647 nan 8.300 nan 0.000 0.489 154 D N 0.021 120.558 120.400 0.227 0.000 2.378 154 D HA -0.134 4.506 4.640 0.000 0.000 0.227 154 D C 0.503 176.876 176.300 0.121 0.000 1.012 154 D CA 0.886 54.973 54.000 0.145 0.000 0.905 154 D CB -0.384 40.480 40.800 0.106 0.000 0.895 154 D HN 0.466 nan 8.370 nan 0.000 0.532 155 E N -0.227 120.057 120.200 0.140 0.000 3.067 155 E HA -0.004 4.346 4.350 0.000 0.000 0.188 155 E C 1.022 177.720 176.600 0.164 0.000 0.964 155 E CA -0.051 56.424 56.400 0.124 0.000 1.286 155 E CB 0.651 30.410 29.700 0.098 0.000 1.051 155 E HN 0.164 nan 8.360 nan 0.000 0.465 156 Q N 1.540 121.464 119.800 0.206 0.000 2.181 156 Q HA -0.247 4.093 4.340 0.000 0.000 0.205 156 Q C 1.822 177.984 176.000 0.270 0.000 0.980 156 Q CA 1.947 57.910 55.803 0.267 0.000 0.862 156 Q CB -0.340 28.568 28.738 0.284 0.000 0.905 156 Q HN 0.218 nan 8.270 nan 0.000 0.429 157 E N 1.615 121.932 120.200 0.196 0.000 2.418 157 E HA -0.158 4.192 4.350 0.000 0.000 0.197 157 E C 0.965 177.646 176.600 0.136 0.000 1.026 157 E CA 0.949 57.454 56.400 0.174 0.000 0.862 157 E CB -0.023 29.749 29.700 0.120 0.000 0.799 157 E HN 0.613 nan 8.360 nan 0.000 0.518 158 K N 0.573 121.050 120.400 0.130 0.000 2.367 158 K HA 0.093 4.413 4.320 0.000 0.000 0.194 158 K C 1.805 178.460 176.600 0.091 0.000 1.027 158 K CA 0.732 57.072 56.287 0.087 0.000 1.075 158 K CB 1.007 33.547 32.500 0.068 0.000 0.845 158 K HN 0.155 nan 8.250 nan 0.000 0.529 159 V N -3.071 116.943 119.914 0.168 0.000 3.480 159 V HA 0.107 4.227 4.120 0.000 0.000 0.263 159 V C 1.611 177.873 176.094 0.280 0.000 1.442 159 V CA -0.270 62.142 62.300 0.186 0.000 1.053 159 V CB -0.428 31.570 31.823 0.291 0.000 0.846 159 V HN 0.155 nan 8.190 nan 0.000 0.440 160 Y N 3.560 124.018 120.300 0.263 0.000 2.230 160 Y HA 0.501 5.051 4.550 0.000 0.000 0.294 160 Y C -0.661 175.355 175.900 0.193 0.000 1.120 160 Y CA 0.790 59.089 58.100 0.331 0.000 1.129 160 Y CB -0.789 37.844 38.460 0.289 0.000 1.040 160 Y HN 0.378 nan 8.280 nan 0.000 0.519 161 P HA 0.194 nan 4.420 nan 0.000 0.341 161 P C -0.906 176.264 177.300 -0.216 0.000 1.297 161 P CA -0.284 62.555 63.100 -0.434 0.000 0.761 161 P CB 0.883 32.519 31.700 -0.107 0.000 1.574 162 N N -1.882 116.727 118.700 -0.153 0.000 5.617 162 N HA -0.124 4.616 4.740 0.000 0.000 0.380 162 N C 1.216 176.643 175.510 -0.137 0.000 1.335 162 N CA 0.344 53.326 53.050 -0.112 0.000 2.459 162 N CB -0.418 38.020 38.487 -0.080 0.000 0.592 162 N HN 0.389 nan 8.380 nan 0.000 0.666 163 R N 1.149 121.578 120.500 -0.118 0.000 2.127 163 R HA -0.068 4.272 4.340 0.000 0.000 0.238 163 R C 0.514 176.729 176.300 -0.143 0.000 1.134 163 R CA 1.449 57.468 56.100 -0.135 0.000 0.975 163 R CB -0.050 30.183 30.300 -0.113 0.000 0.865 163 R HN 0.358 nan 8.270 nan 0.000 0.447 164 R N 0.521 120.946 120.500 -0.125 0.000 2.865 164 R HA 0.215 4.555 4.340 0.000 0.000 0.370 164 R C 0.139 176.348 176.300 -0.152 0.000 1.168 164 R CA -0.371 55.653 56.100 -0.127 0.000 1.058 164 R CB 1.514 31.759 30.300 -0.090 0.000 1.419 164 R HN 0.114 nan 8.270 nan 0.000 0.580 165 G N -0.923 107.761 108.800 -0.194 0.000 2.702 165 G HA2 0.295 4.255 3.960 0.000 0.000 0.254 165 G HA3 0.295 4.255 3.960 0.000 0.000 0.254 165 G C 0.950 175.614 174.900 -0.393 0.000 1.380 165 G CA -0.249 44.709 45.100 -0.236 0.000 1.042 165 G HN 0.186 nan 8.290 nan 0.000 0.557 166 G N -0.769 107.706 108.800 -0.542 0.000 2.479 166 G HA2 0.087 4.047 3.960 0.000 0.000 0.220 166 G HA3 0.087 4.047 3.960 0.000 0.000 0.220 166 G C 1.467 175.827 174.900 -0.900 0.000 1.115 166 G CA 1.446 45.851 45.100 -1.158 0.000 0.757 166 G HN 0.909 nan 8.290 nan 0.000 0.560 167 G N -0.297 108.215 108.800 -0.481 0.000 2.683 167 G HA2 0.032 3.992 3.960 0.000 0.000 0.213 167 G HA3 0.032 3.992 3.960 0.000 0.000 0.213 167 G C 1.688 176.327 174.900 -0.435 0.000 1.142 167 G CA 1.234 46.069 45.100 -0.441 0.000 0.793 167 G HN 0.333 nan 8.290 nan 0.000 0.534 168 T N 2.204 116.555 114.554 -0.337 0.000 2.759 168 T HA -0.083 4.267 4.350 0.000 0.000 0.269 168 T C -0.002 174.612 174.700 -0.144 0.000 1.042 168 T CA 1.305 63.313 62.100 -0.152 0.000 1.140 168 T CB -0.822 67.944 68.868 -0.171 0.000 0.864 168 T HN 0.241 nan 8.240 nan 0.000 0.455 169 P HA -0.009 nan 4.420 nan 0.000 0.221 169 P C 0.913 178.162 177.300 -0.085 0.000 1.145 169 P CA 0.927 63.898 63.100 -0.215 0.000 0.795 169 P CB -0.307 31.242 31.700 -0.252 0.000 0.775 170 F N -2.928 116.997 119.950 -0.042 0.000 2.206 170 F HA -0.079 4.448 4.527 0.000 0.000 0.298 170 F C 1.902 177.627 175.800 -0.124 0.000 1.090 170 F CA 0.353 58.291 58.000 -0.104 0.000 1.323 170 F CB -0.792 38.131 39.000 -0.130 0.000 1.028 170 F HN -0.144 nan 8.300 nan 0.000 0.492 171 F N 0.384 120.391 119.950 0.096 0.000 2.206 171 F HA -0.078 4.449 4.527 0.000 0.000 0.298 171 F C 2.292 178.110 175.800 0.030 0.000 1.090 171 F CA 0.772 58.802 58.000 0.050 0.000 1.323 171 F CB -0.320 38.683 39.000 0.005 0.000 1.028 171 F HN -0.258 nan 8.300 nan 0.000 0.492 172 R N 0.273 120.883 120.500 0.184 0.000 2.115 172 R HA -0.073 4.267 4.340 0.000 0.000 0.230 172 R C 1.676 178.035 176.300 0.098 0.000 1.111 172 R CA 0.828 56.994 56.100 0.111 0.000 0.976 172 R CB -1.265 29.078 30.300 0.071 0.000 0.870 172 R HN 0.269 nan 8.270 nan 0.000 0.445 173 N N 0.950 119.716 118.700 0.110 0.000 2.244 173 N HA -0.056 4.684 4.740 0.000 0.000 0.183 173 N C 1.556 177.100 175.510 0.056 0.000 1.016 173 N CA 1.337 54.447 53.050 0.100 0.000 0.866 173 N CB -0.167 38.388 38.487 0.113 0.000 0.980 173 N HN 0.207 nan 8.380 nan 0.000 0.430 174 A N 0.924 123.770 122.820 0.042 0.000 1.898 174 A HA -0.139 4.181 4.320 0.000 0.000 0.216 174 A C 2.141 179.748 177.584 0.038 0.000 1.181 174 A CA 1.435 53.481 52.037 0.016 0.000 0.620 174 A CB -0.485 18.506 19.000 -0.016 0.000 0.819 174 A HN 0.414 nan 8.150 nan 0.000 0.442 175 E N 0.035 120.273 120.200 0.063 0.000 2.051 175 E HA -0.169 4.181 4.350 0.000 0.000 0.192 175 E C 1.938 178.556 176.600 0.030 0.000 0.991 175 E CA 1.117 57.550 56.400 0.054 0.000 0.799 175 E CB -0.244 29.494 29.700 0.063 0.000 0.748 175 E HN 0.602 nan 8.360 nan 0.000 0.449 176 L N 0.683 121.921 121.223 0.026 0.000 2.012 176 L HA -0.236 4.104 4.340 0.000 0.000 0.210 176 L C 2.324 179.197 176.870 0.004 0.000 1.073 176 L CA 1.733 56.573 54.840 0.001 0.000 0.748 176 L CB -0.580 41.490 42.059 0.019 0.000 0.891 176 L HN 0.221 nan 8.230 nan 0.000 0.431 177 N N -0.493 118.219 118.700 0.019 0.000 2.069 177 N HA -0.234 4.506 4.740 0.000 0.000 0.191 177 N C 1.849 177.371 175.510 0.020 0.000 1.031 177 N CA 1.254 54.315 53.050 0.017 0.000 0.852 177 N CB -0.086 38.407 38.487 0.009 0.000 1.018 177 N HN 0.315 nan 8.380 nan 0.000 0.423 178 Q N -0.077 119.736 119.800 0.022 0.000 2.226 178 Q HA -0.026 4.314 4.340 0.000 0.000 0.204 178 Q C 1.328 177.349 176.000 0.036 0.000 0.975 178 Q CA 0.762 56.582 55.803 0.028 0.000 0.866 178 Q CB 0.028 28.785 28.738 0.031 0.000 0.915 178 Q HN 0.433 nan 8.270 nan 0.000 0.440 179 L N -0.968 120.274 121.223 0.032 0.000 2.591 179 L HA 0.134 4.474 4.340 0.000 0.000 0.228 179 L C 0.945 177.862 176.870 0.078 0.000 1.133 179 L CA 0.308 55.179 54.840 0.052 0.000 0.880 179 L CB 0.008 42.071 42.059 0.006 0.000 1.033 179 L HN 0.405 nan 8.230 nan 0.000 0.450 180 G N 1.080 109.913 108.800 0.054 0.000 2.137 180 G HA2 -0.277 3.683 3.960 0.000 0.000 0.237 180 G HA3 -0.277 3.683 3.960 0.000 0.000 0.237 180 G C 0.065 175.002 174.900 0.062 0.000 1.002 180 G CA -0.210 44.932 45.100 0.070 0.000 0.702 180 G HN 0.314 nan 8.290 nan 0.000 0.515 181 I N 1.443 122.018 120.570 0.008 0.000 2.359 181 I HA 0.291 4.461 4.170 0.000 0.000 0.284 181 I C -2.129 174.001 176.117 0.021 0.000 1.018 181 I CA -2.453 58.838 61.300 -0.014 0.000 1.173 181 I CB 1.823 39.747 38.000 -0.127 0.000 1.326 181 I HN -0.146 nan 8.210 nan 0.000 0.462 182 P HA 0.109 nan 4.420 nan 0.000 0.269 182 P C -0.843 176.501 177.300 0.074 0.000 1.209 182 P CA -0.122 63.014 63.100 0.059 0.000 0.776 182 P CB 0.835 32.578 31.700 0.072 0.000 0.876 183 V N 4.649 124.611 119.914 0.080 0.000 2.483 183 V HA 0.386 4.506 4.120 0.000 0.000 0.297 183 V C -0.158 176.003 176.094 0.111 0.000 1.027 183 V CA -0.486 61.888 62.300 0.123 0.000 0.855 183 V CB 1.577 33.484 31.823 0.139 0.000 0.995 183 V HN 0.360 nan 8.190 nan 0.000 0.424 184 I N 5.123 125.778 120.570 0.142 0.000 2.474 184 I HA 0.622 4.792 4.170 0.000 0.000 0.294 184 I C -0.319 175.893 176.117 0.159 0.000 1.005 184 I CA -0.754 60.615 61.300 0.116 0.000 1.113 184 I CB 1.822 39.893 38.000 0.118 0.000 1.289 184 I HN 0.394 nan 8.210 nan 0.000 0.436 185 V N 4.294 124.275 119.914 0.112 0.000 2.789 185 V HA 0.905 5.025 4.120 0.000 0.000 0.311 185 V C -0.383 175.764 176.094 0.088 0.000 1.073 185 V CA -0.221 62.162 62.300 0.139 0.000 0.921 185 V CB 2.195 34.080 31.823 0.104 0.000 1.009 185 V HN 0.910 nan 8.190 nan 0.000 0.426 186 G N 6.311 115.180 108.800 0.114 0.000 2.557 186 G HA2 0.642 4.602 3.960 0.000 0.000 0.310 186 G HA3 0.642 4.602 3.960 0.000 0.000 0.310 186 G C -0.780 174.143 174.900 0.038 0.000 1.328 186 G CA -0.564 44.559 45.100 0.038 0.000 0.945 186 G HN 1.180 nan 8.290 nan 0.000 0.494 187 I N 0.197 120.721 120.570 -0.076 0.000 2.460 187 I HA 0.812 4.982 4.170 0.000 0.000 0.298 187 I C -1.435 174.592 176.117 -0.150 0.000 0.989 187 I CA -1.213 60.084 61.300 -0.005 0.000 1.173 187 I CB 1.727 39.744 38.000 0.028 0.000 1.338 187 I HN 0.342 nan 8.210 nan 0.000 0.456 188 Y N 3.479 123.812 120.300 0.055 0.000 2.536 188 Y HA 0.776 5.326 4.550 -0.000 0.000 0.347 188 Y C 0.861 176.780 175.900 0.031 0.000 1.000 188 Y CA 0.025 58.142 58.100 0.027 0.000 1.051 188 Y CB 1.727 40.155 38.460 -0.053 0.000 1.259 188 Y HN 1.115 nan 8.280 nan 0.000 0.468 189 G N 0.655 109.572 108.800 0.194 0.000 2.601 189 G HA2 -0.209 3.751 3.960 0.000 0.000 0.261 189 G HA3 -0.209 3.751 3.960 0.000 0.000 0.261 189 G C -0.621 174.338 174.900 0.099 0.000 1.289 189 G CA -0.345 44.830 45.100 0.124 0.000 0.920 189 G HN 0.663 nan 8.290 nan 0.000 0.571 190 T N 2.173 116.769 114.554 0.070 0.000 2.771 190 T HA 0.539 4.889 4.350 0.000 0.000 0.291 190 T C 0.250 174.978 174.700 0.048 0.000 0.954 190 T CA -0.282 61.851 62.100 0.055 0.000 1.045 190 T CB 0.578 69.469 68.868 0.038 0.000 0.917 190 T HN 0.538 nan 8.240 nan 0.000 0.484 191 N N 4.953 123.683 118.700 0.049 0.000 2.762 191 N HA 0.244 4.984 4.740 0.000 0.000 0.252 191 N C -2.922 172.606 175.510 0.030 0.000 1.269 191 N CA -1.004 52.072 53.050 0.043 0.000 0.799 191 N CB 2.360 40.883 38.487 0.061 0.000 1.173 191 N HN 0.400 nan 8.380 nan 0.000 0.516 192 P HA 0.336 nan 4.420 nan 0.000 0.285 192 P C 0.370 177.675 177.300 0.007 0.000 1.269 192 P CA 0.236 63.346 63.100 0.018 0.000 0.844 192 P CB 1.961 33.670 31.700 0.015 0.000 1.094 193 A N 2.407 125.258 122.820 0.051 0.000 5.236 193 A HA -0.308 4.012 4.320 0.000 0.000 0.326 193 A C 1.951 179.608 177.584 0.122 0.000 1.825 193 A CA 2.361 54.450 52.037 0.088 0.000 0.710 193 A CB -2.816 16.189 19.000 0.009 0.000 1.383 193 A HN 0.636 nan 8.150 nan 0.000 0.386 194 G N -1.425 107.362 108.800 -0.021 0.000 2.513 194 G HA2 0.039 3.999 3.960 0.000 0.000 0.219 194 G HA3 0.039 3.999 3.960 0.000 0.000 0.219 194 G C 1.866 176.984 174.900 0.362 0.000 1.160 194 G CA 2.268 47.447 45.100 0.132 0.000 0.767 194 G HN 2.047 nan 8.290 nan 0.000 0.571 195 G N 0.554 109.437 108.800 0.137 0.000 2.432 195 G HA2 0.101 4.061 3.960 0.000 0.000 0.219 195 G HA3 0.101 4.061 3.960 0.000 0.000 0.219 195 G C 1.716 176.697 174.900 0.135 0.000 1.135 195 G CA 1.338 46.566 45.100 0.213 0.000 0.767 195 G HN 0.637 nan 8.290 nan 0.000 0.550 196 G N -0.124 108.710 108.800 0.057 0.000 2.402 196 G HA2 -0.172 3.788 3.960 0.000 0.000 0.216 196 G HA3 -0.172 3.788 3.960 0.000 0.000 0.216 196 G C 1.565 176.330 174.900 -0.224 0.000 1.162 196 G CA 0.686 45.749 45.100 -0.061 0.000 0.777 196 G HN 0.420 nan 8.290 nan 0.000 0.539 197 Y N -0.017 120.054 120.300 -0.382 0.000 2.373 197 Y HA 0.041 4.591 4.550 0.000 0.000 0.293 197 Y C 2.631 178.132 175.900 -0.665 0.000 1.129 197 Y CA 1.151 58.763 58.100 -0.814 0.000 1.226 197 Y CB -0.250 37.136 38.460 -1.791 0.000 1.000 197 Y HN 0.353 nan 8.280 nan 0.000 0.549 198 H N -1.883 117.125 119.070 -0.103 0.000 2.495 198 H HA -0.085 4.471 4.556 0.000 0.000 0.287 198 H C 2.175 177.402 175.328 -0.168 0.000 1.033 198 H CA 1.327 57.370 56.048 -0.008 0.000 1.307 198 H CB 0.284 30.114 29.762 0.114 0.000 1.401 198 H HN 0.144 nan 8.280 nan 0.000 0.555 199 S N -0.253 115.422 115.700 -0.042 0.000 2.406 199 S HA -0.048 4.422 4.470 0.000 0.000 0.224 199 S C 1.849 176.340 174.600 -0.182 0.000 1.030 199 S CA 0.632 58.779 58.200 -0.089 0.000 0.958 199 S CB 0.143 63.295 63.200 -0.079 0.000 0.811 199 S HN 0.243 nan 8.310 nan 0.000 0.489 200 I N 1.991 122.380 120.570 -0.301 0.000 2.852 200 I HA -0.003 4.167 4.170 0.000 0.000 0.264 200 I C 2.142 178.062 176.117 -0.328 0.000 1.179 200 I CA 0.536 61.600 61.300 -0.393 0.000 1.480 200 I CB -0.289 37.357 38.000 -0.590 0.000 1.111 200 I HN 0.262 nan 8.210 nan 0.000 0.441 201 S N 0.206 115.745 115.700 -0.267 0.000 2.423 201 S HA 0.128 4.598 4.470 0.000 0.000 0.231 201 S C -1.299 173.244 174.600 -0.096 0.000 1.014 201 S CA -0.253 57.849 58.200 -0.163 0.000 0.965 201 S CB -1.884 61.276 63.200 -0.067 0.000 0.785 201 S HN 0.241 nan 8.310 nan 0.000 0.495 202 P HA 0.224 nan 4.420 nan 0.000 0.273 202 P C 0.729 177.999 177.300 -0.049 0.000 1.250 202 P CA 0.074 63.158 63.100 -0.027 0.000 0.793 202 P CB 0.327 32.023 31.700 -0.005 0.000 1.011 203 T N -1.233 113.310 114.554 -0.017 0.000 2.770 203 T HA 0.030 4.380 4.350 0.000 0.000 0.263 203 T C 0.684 175.344 174.700 -0.066 0.000 1.039 203 T CA 0.991 63.072 62.100 -0.032 0.000 1.142 203 T CB -0.056 68.813 68.868 0.002 0.000 0.868 203 T HN 0.126 nan 8.240 nan 0.000 0.435 204 V N 1.775 121.646 119.914 -0.073 0.000 2.540 204 V HA 0.486 4.606 4.120 0.000 0.000 0.302 204 V C -0.701 175.320 176.094 -0.122 0.000 1.035 204 V CA -0.980 61.226 62.300 -0.157 0.000 0.873 204 V CB 1.949 33.606 31.823 -0.277 0.000 0.992 204 V HN 0.296 nan 8.190 nan 0.000 0.428 205 I N 5.664 126.158 120.570 -0.127 0.000 2.355 205 I HA 0.488 4.658 4.170 0.000 0.000 0.288 205 I C -0.848 175.245 176.117 -0.040 0.000 0.999 205 I CA -0.420 60.841 61.300 -0.065 0.000 1.163 205 I CB 1.500 39.472 38.000 -0.047 0.000 1.316 205 I HN 0.307 nan 8.210 nan 0.000 0.454 206 I N 5.103 125.669 120.570 -0.007 0.000 2.474 206 I HA 0.712 4.882 4.170 0.000 0.000 0.294 206 I C 0.137 176.259 176.117 0.009 0.000 1.005 206 I CA -0.531 60.797 61.300 0.046 0.000 1.113 206 I CB 1.758 39.811 38.000 0.090 0.000 1.289 206 I HN 0.601 nan 8.210 nan 0.000 0.436 207 A N 5.221 128.050 122.820 0.015 0.000 2.435 207 A HA 0.478 4.798 4.320 0.000 0.000 0.304 207 A C -0.754 176.802 177.584 -0.047 0.000 1.064 207 A CA -0.608 51.404 52.037 -0.042 0.000 0.727 207 A CB 1.445 20.438 19.000 -0.012 0.000 1.284 207 A HN 0.842 nan 8.150 nan 0.000 0.415 208 H N 1.096 120.034 119.070 -0.219 0.000 2.629 208 H HA 0.085 4.641 4.556 0.000 0.000 0.357 208 H C 1.158 176.438 175.328 -0.080 0.000 1.121 208 H CA 0.848 56.794 56.048 -0.169 0.000 1.406 208 H CB 1.162 30.778 29.762 -0.243 0.000 1.456 208 H HN 0.921 nan 8.280 nan 0.000 0.579 209 E N 2.954 122.782 120.200 -0.619 0.000 2.171 209 E HA -0.183 4.167 4.350 0.000 0.000 0.197 209 E C 0.666 177.142 176.600 -0.206 0.000 0.997 209 E CA 1.024 57.195 56.400 -0.383 0.000 0.810 209 E CB 0.131 29.606 29.700 -0.376 0.000 0.738 209 E HN 0.381 nan 8.360 nan 0.000 0.467 210 K N 0.511 120.834 120.400 -0.127 0.000 2.374 210 K HA 0.331 4.651 4.320 0.000 0.000 0.196 210 K C 0.369 177.056 176.600 0.144 0.000 1.023 210 K CA 0.380 56.719 56.287 0.088 0.000 1.103 210 K CB 0.682 33.298 32.500 0.194 0.000 0.848 210 K HN 0.216 nan 8.250 nan 0.000 0.528 211 A N 2.353 125.260 122.820 0.144 0.000 2.287 211 A HA 0.469 4.789 4.320 0.000 0.000 0.273 211 A C 0.034 177.668 177.584 0.083 0.000 1.091 211 A CA -0.431 51.678 52.037 0.119 0.000 0.817 211 A CB 0.120 19.179 19.000 0.097 0.000 1.069 211 A HN 0.456 nan 8.150 nan 0.000 0.492 212 N N -1.210 117.541 118.700 0.086 0.000 2.494 212 N HA 0.657 5.397 4.740 0.000 0.000 0.270 212 N C -0.993 174.573 175.510 0.094 0.000 1.285 212 N CA -0.693 52.415 53.050 0.098 0.000 0.812 212 N CB 1.366 39.903 38.487 0.083 0.000 1.557 212 N HN 0.747 nan 8.380 nan 0.000 0.487 213 M N -0.842 118.834 119.600 0.127 0.000 2.324 213 M HA 0.929 5.409 4.480 0.000 0.000 0.288 213 M C -1.867 174.491 176.300 0.097 0.000 1.097 213 M CA -0.835 54.498 55.300 0.055 0.000 0.928 213 M CB 2.260 34.835 32.600 -0.042 0.000 1.648 213 M HN 0.774 nan 8.290 nan 0.000 0.460 214 A N 2.013 124.863 122.820 0.049 0.000 2.606 214 A HA 0.644 4.964 4.320 0.000 0.000 0.293 214 A C 0.399 178.000 177.584 0.028 0.000 1.082 214 A CA -0.273 51.813 52.037 0.082 0.000 0.685 214 A CB 1.371 20.433 19.000 0.102 0.000 1.284 214 A HN 1.574 nan 8.150 nan 0.000 0.408 215 V N -1.079 118.859 119.914 0.040 0.000 2.867 215 V HA 0.440 4.560 4.120 0.000 0.000 0.260 215 V C 0.806 176.977 176.094 0.127 0.000 1.099 215 V CA 1.702 64.051 62.300 0.081 0.000 1.122 215 V CB -0.916 30.964 31.823 0.094 0.000 0.708 215 V HN 2.275 nan 8.190 nan 0.000 0.490 216 G N -1.902 106.949 108.800 0.085 0.000 2.355 216 G HA2 0.494 4.454 3.960 0.000 0.000 0.296 216 G HA3 0.494 4.454 3.960 0.000 0.000 0.296 216 G C -0.268 174.665 174.900 0.056 0.000 1.507 216 G CA -0.381 44.762 45.100 0.071 0.000 0.823 216 G HN 0.777 nan 8.290 nan 0.000 0.569 217 G N -0.596 108.233 108.800 0.049 0.000 2.491 217 G HA2 0.580 4.540 3.960 0.000 0.000 0.242 217 G HA3 0.580 4.540 3.960 0.000 0.000 0.242 217 G C 1.315 176.238 174.900 0.039 0.000 1.266 217 G CA 0.767 45.893 45.100 0.044 0.000 0.844 217 G HN 1.705 nan 8.290 nan 0.000 0.571 218 A N 1.059 123.898 122.820 0.032 0.000 2.067 218 A HA 0.442 4.762 4.320 0.000 0.000 0.219 218 A C 1.745 179.343 177.584 0.023 0.000 1.158 218 A CA 1.475 53.527 52.037 0.025 0.000 0.661 218 A CB -0.847 18.164 19.000 0.018 0.000 0.801 218 A HN 2.618 nan 8.150 nan 0.000 0.452 219 G N -1.063 107.753 108.800 0.026 0.000 3.391 219 G HA2 -0.121 3.839 3.960 0.000 0.000 0.675 219 G HA3 -0.121 3.839 3.960 0.000 0.000 0.675 219 G C 0.326 175.235 174.900 0.016 0.000 0.899 219 G CA 0.015 45.129 45.100 0.023 0.000 0.755 219 G HN 0.871 nan 8.290 nan 0.000 0.475 220 I N 2.603 123.179 120.570 0.010 0.000 2.194 220 I HA -0.128 4.042 4.170 0.000 0.000 0.246 220 I C 2.277 178.394 176.117 0.000 0.000 1.093 220 I CA 1.785 63.084 61.300 -0.002 0.000 1.355 220 I CB -0.083 37.906 38.000 -0.018 0.000 1.046 220 I HN 0.591 nan 8.210 nan 0.000 0.413 221 M N 0.887 120.494 119.600 0.012 0.000 2.729 221 M HA 0.284 4.764 4.480 0.000 0.000 0.229 221 M C 1.265 177.585 176.300 0.034 0.000 1.280 221 M CA 0.396 55.715 55.300 0.031 0.000 1.012 221 M CB -2.202 30.444 32.600 0.077 0.000 1.603 221 M HN 0.331 nan 8.290 nan 0.000 0.452 222 G N 1.252 110.065 108.800 0.022 0.000 2.578 222 G HA2 -0.290 3.670 3.960 0.000 0.000 0.313 222 G HA3 -0.290 3.670 3.960 0.000 0.000 0.313 222 G C 0.713 175.626 174.900 0.023 0.000 1.324 222 G CA 0.106 45.218 45.100 0.020 0.000 0.955 222 G HN 0.642 nan 8.290 nan 0.000 0.541 223 G N -0.380 108.431 108.800 0.019 0.000 3.374 223 G HA2 0.381 4.341 3.960 0.000 0.000 0.252 223 G HA3 0.381 4.341 3.960 0.000 0.000 0.252 223 G C 0.602 175.513 174.900 0.018 0.000 1.326 223 G CA 0.651 45.762 45.100 0.017 0.000 1.133 223 G HN 0.688 nan 8.290 nan 0.000 0.528 224 M N 1.302 120.918 119.600 0.027 0.000 2.200 224 M HA 0.152 4.632 4.480 0.000 0.000 0.355 224 M C -0.161 176.149 176.300 0.018 0.000 1.283 224 M CA -0.614 54.704 55.300 0.031 0.000 1.124 224 M CB 0.467 33.103 32.600 0.060 0.000 1.625 224 M HN -0.014 nan 8.290 nan 0.000 0.463 225 N N 5.880 124.580 118.700 0.001 0.000 2.411 225 N HA 0.126 4.866 4.740 0.000 0.000 0.261 225 N C -2.335 173.153 175.510 -0.036 0.000 1.248 225 N CA -0.478 52.562 53.050 -0.016 0.000 0.885 225 N CB 0.067 38.540 38.487 -0.023 0.000 1.062 225 N HN 0.470 nan 8.380 nan 0.000 0.471 226 P HA 0.034 nan 4.420 nan 0.000 0.269 226 P C -0.355 176.877 177.300 -0.112 0.000 1.211 226 P CA 0.413 63.479 63.100 -0.057 0.000 0.781 226 P CB 0.663 32.337 31.700 -0.043 0.000 0.877 227 K N 0.760 121.057 120.400 -0.173 0.000 2.292 227 K HA 0.357 4.677 4.320 0.000 0.000 0.257 227 K C 1.272 177.794 176.600 -0.131 0.000 0.940 227 K CA -0.546 55.604 56.287 -0.228 0.000 0.811 227 K CB 1.789 33.979 32.500 -0.515 0.000 1.120 227 K HN 0.524 nan 8.250 nan 0.000 0.428 228 G N 1.193 109.950 108.800 -0.072 0.000 2.598 228 G HA2 -0.143 3.817 3.960 0.000 0.000 0.215 228 G HA3 -0.143 3.817 3.960 0.000 0.000 0.215 228 G C 0.179 175.113 174.900 0.056 0.000 1.131 228 G CA 1.009 46.101 45.100 -0.014 0.000 0.785 228 G HN 0.648 nan 8.290 nan 0.000 0.539 229 H N -2.004 117.012 119.070 -0.091 0.000 3.012 229 H HA 0.550 5.106 4.556 0.000 0.000 0.367 229 H C -1.635 173.662 175.328 -0.051 0.000 1.211 229 H CA -0.701 55.314 56.048 -0.054 0.000 1.139 229 H CB 1.989 31.726 29.762 -0.041 0.000 1.838 229 H HN -0.125 nan 8.280 nan 0.000 0.550 230 V N 4.564 123.968 119.914 -0.850 0.000 2.350 230 V HA 0.271 4.391 4.120 0.000 0.000 0.285 230 V C -0.659 175.168 176.094 -0.445 0.000 1.014 230 V CA -0.640 61.423 62.300 -0.395 0.000 0.831 230 V CB 0.767 32.517 31.823 -0.121 0.000 1.000 230 V HN 0.869 nan 8.190 nan 0.000 0.433 231 D N 3.718 124.058 120.400 -0.099 0.000 2.487 231 D HA 0.325 4.965 4.640 0.000 0.000 0.262 231 D C 0.971 177.303 176.300 0.053 0.000 1.130 231 D CA -0.871 53.147 54.000 0.031 0.000 1.038 231 D CB 1.076 41.945 40.800 0.115 0.000 1.142 231 D HN 0.181 nan 8.370 nan 0.000 0.575 232 L N -0.244 121.010 121.223 0.051 0.000 2.083 232 L HA -0.082 4.258 4.340 0.000 0.000 0.209 232 L C 1.986 178.879 176.870 0.038 0.000 1.083 232 L CA 1.960 56.820 54.840 0.033 0.000 0.752 232 L CB -1.093 40.983 42.059 0.028 0.000 0.899 232 L HN 0.662 nan 8.230 nan 0.000 0.433 233 E N -1.112 119.125 120.200 0.062 0.000 2.058 233 E HA -0.331 4.019 4.350 0.000 0.000 0.194 233 E C 2.192 178.851 176.600 0.099 0.000 0.997 233 E CA 1.809 58.250 56.400 0.068 0.000 0.801 233 E CB -0.758 28.987 29.700 0.075 0.000 0.746 233 E HN 0.576 nan 8.360 nan 0.000 0.450 234 Y N 0.446 120.734 120.300 -0.020 0.000 2.242 234 Y HA -0.018 4.532 4.550 0.000 0.000 0.291 234 Y C 2.131 178.011 175.900 -0.033 0.000 1.137 234 Y CA 1.427 59.509 58.100 -0.029 0.000 1.181 234 Y CB -0.842 37.591 38.460 -0.045 0.000 0.989 234 Y HN 0.145 nan 8.280 nan 0.000 0.527 235 A N 0.421 123.191 122.820 -0.084 0.000 1.877 235 A HA -0.231 4.089 4.320 0.000 0.000 0.216 235 A C 2.207 179.701 177.584 -0.150 0.000 1.186 235 A CA 1.907 53.852 52.037 -0.153 0.000 0.620 235 A CB -0.803 18.159 19.000 -0.064 0.000 0.822 235 A HN 0.555 nan 8.150 nan 0.000 0.443 236 N N -0.364 118.286 118.700 -0.082 0.000 2.223 236 N HA -0.139 4.601 4.740 0.000 0.000 0.185 236 N C 1.696 177.156 175.510 -0.083 0.000 1.016 236 N CA 1.384 54.396 53.050 -0.063 0.000 0.863 236 N CB -0.288 38.183 38.487 -0.026 0.000 0.983 236 N HN 0.661 nan 8.380 nan 0.000 0.429 237 E N 0.635 120.774 120.200 -0.102 0.000 2.077 237 E HA -0.097 4.253 4.350 0.000 0.000 0.193 237 E C 2.045 178.547 176.600 -0.164 0.000 0.989 237 E CA 0.661 57.002 56.400 -0.099 0.000 0.800 237 E CB 0.021 29.691 29.700 -0.050 0.000 0.746 237 E HN 0.335 nan 8.360 nan 0.000 0.452 238 I N 0.782 121.176 120.570 -0.293 0.000 2.142 238 I HA -0.272 3.898 4.170 0.000 0.000 0.240 238 I C 2.563 178.594 176.117 -0.144 0.000 1.078 238 I CA 0.990 62.131 61.300 -0.265 0.000 1.343 238 I CB -0.362 37.427 38.000 -0.352 0.000 1.046 238 I HN 0.096 nan 8.210 nan 0.000 0.405 239 A N 0.484 123.230 122.820 -0.122 0.000 1.908 239 A HA -0.274 4.046 4.320 0.000 0.000 0.218 239 A C 1.906 179.455 177.584 -0.057 0.000 1.181 239 A CA 2.306 54.298 52.037 -0.075 0.000 0.627 239 A CB -0.698 18.265 19.000 -0.061 0.000 0.818 239 A HN 0.357 nan 8.150 nan 0.000 0.445 240 D N -1.231 119.134 120.400 -0.059 0.000 2.123 240 D HA -0.148 4.492 4.640 0.000 0.000 0.196 240 D C 1.818 178.097 176.300 -0.036 0.000 0.992 240 D CA 1.644 55.621 54.000 -0.039 0.000 0.833 240 D CB -0.282 40.498 40.800 -0.033 0.000 0.954 240 D HN 0.378 nan 8.370 nan 0.000 0.455 241 M N 0.126 119.698 119.600 -0.046 0.000 2.175 241 M HA -0.067 4.413 4.480 0.000 0.000 0.264 241 M C 2.029 178.310 176.300 -0.030 0.000 1.063 241 M CA 0.863 56.142 55.300 -0.036 0.000 1.119 241 M CB -0.324 32.251 32.600 -0.042 0.000 1.377 241 M HN 0.000 nan 8.290 nan 0.000 0.415 242 V N 0.002 119.893 119.914 -0.037 0.000 2.427 242 V HA -0.238 3.882 4.120 0.000 0.000 0.248 242 V C 1.609 177.691 176.094 -0.020 0.000 1.051 242 V CA 2.459 64.743 62.300 -0.027 0.000 1.048 242 V CB -0.627 31.177 31.823 -0.031 0.000 0.666 242 V HN 0.458 nan 8.190 nan 0.000 0.456 243 D N 0.013 120.399 120.400 -0.022 0.000 2.091 243 D HA -0.160 4.480 4.640 0.000 0.000 0.199 243 D C 2.247 178.539 176.300 -0.013 0.000 0.980 243 D CA 1.666 55.657 54.000 -0.016 0.000 0.831 243 D CB -0.428 40.362 40.800 -0.017 0.000 0.987 243 D HN 0.476 nan 8.370 nan 0.000 0.460 244 R N 0.583 121.074 120.500 -0.014 0.000 2.103 244 R HA -0.134 4.206 4.340 0.000 0.000 0.242 244 R C 1.923 178.217 176.300 -0.009 0.000 1.142 244 R CA 1.745 57.838 56.100 -0.011 0.000 0.960 244 R CB -0.189 30.105 30.300 -0.011 0.000 0.858 244 R HN 0.081 nan 8.270 nan 0.000 0.439 245 T N -0.346 114.201 114.554 -0.010 0.000 2.851 245 T HA 0.122 4.472 4.350 0.000 0.000 0.262 245 T C 1.102 175.798 174.700 -0.007 0.000 1.043 245 T CA 0.904 62.999 62.100 -0.008 0.000 1.140 245 T CB -0.369 68.494 68.868 -0.008 0.000 0.872 245 T HN 0.683 nan 8.240 nan 0.000 0.446 246 G N 2.350 111.145 108.800 -0.007 0.000 2.574 246 G HA2 -0.345 3.615 3.960 0.000 0.000 0.286 246 G HA3 -0.345 3.615 3.960 0.000 0.000 0.286 246 G C -0.116 174.782 174.900 -0.003 0.000 1.212 246 G CA 0.261 45.358 45.100 -0.006 0.000 0.979 246 G HN 0.764 nan 8.290 nan 0.000 0.557 247 K N 0.290 120.689 120.400 -0.002 0.000 2.228 247 K HA 0.547 4.867 4.320 0.000 0.000 0.284 247 K C -0.647 175.953 176.600 0.001 0.000 1.088 247 K CA 0.267 56.555 56.287 0.001 0.000 0.941 247 K CB 0.407 32.908 32.500 0.002 0.000 1.158 247 K HN 0.387 nan 8.250 nan 0.000 0.438 248 T N 2.701 117.256 114.554 0.002 0.000 2.824 248 T HA 0.088 4.438 4.350 0.000 0.000 0.282 248 T C -0.982 173.720 174.700 0.005 0.000 0.993 248 T CA -0.720 61.381 62.100 0.001 0.000 0.967 248 T CB 1.463 70.331 68.868 -0.000 0.000 0.960 248 T HN 0.684 nan 8.240 nan 0.000 0.441 249 E N 4.049 124.251 120.200 0.003 0.000 2.324 249 E HA 0.205 4.555 4.350 0.000 0.000 0.271 249 E C -2.130 174.475 176.600 0.009 0.000 1.028 249 E CA -1.402 55.002 56.400 0.007 0.000 0.890 249 E CB 0.406 30.107 29.700 0.002 0.000 1.004 249 E HN 0.217 nan 8.360 nan 0.000 0.431 250 P HA 0.081 nan 4.420 nan 0.000 0.270 250 P C -2.457 174.854 177.300 0.019 0.000 1.223 250 P CA -0.842 62.270 63.100 0.021 0.000 0.785 250 P CB 0.045 31.764 31.700 0.031 0.000 0.923 251 P HA 0.036 nan 4.420 nan 0.000 0.270 251 P C 0.480 177.802 177.300 0.037 0.000 1.223 251 P CA 0.417 63.524 63.100 0.013 0.000 0.785 251 P CB 0.312 32.024 31.700 0.021 0.000 0.923 252 G N 0.065 108.860 108.800 -0.009 0.000 2.160 252 G HA2 -0.075 3.885 3.960 0.000 0.000 0.244 252 G HA3 -0.075 3.885 3.960 0.000 0.000 0.244 252 G C 0.429 175.399 174.900 0.117 0.000 1.022 252 G CA 0.092 45.226 45.100 0.057 0.000 0.741 252 G HN 0.863 nan 8.290 nan 0.000 0.508 253 A N -1.011 121.819 122.820 0.017 0.000 2.251 253 A HA 0.758 5.078 4.320 0.000 0.000 0.278 253 A C 1.834 179.439 177.584 0.036 0.000 1.206 253 A CA 0.569 52.627 52.037 0.036 0.000 0.822 253 A CB 0.293 19.299 19.000 0.010 0.000 1.187 253 A HN 0.963 nan 8.150 nan 0.000 0.504 254 V N 1.261 121.198 119.914 0.038 0.000 2.392 254 V HA -0.243 3.877 4.120 0.000 0.000 0.249 254 V C 2.207 178.342 176.094 0.069 0.000 1.059 254 V CA 2.549 64.884 62.300 0.058 0.000 1.051 254 V CB -1.087 30.731 31.823 -0.009 0.000 0.658 254 V HN 1.026 nan 8.190 nan 0.000 0.455 255 D N -0.741 119.667 120.400 0.014 0.000 2.351 255 D HA -0.159 4.481 4.640 0.000 0.000 0.216 255 D C 1.770 178.033 176.300 -0.060 0.000 0.968 255 D CA 1.046 55.042 54.000 -0.006 0.000 0.899 255 D CB 0.032 40.818 40.800 -0.024 0.000 0.907 255 D HN 0.406 nan 8.370 nan 0.000 0.514 256 I N 0.349 120.856 120.570 -0.105 0.000 2.962 256 I HA -0.061 4.109 4.170 0.000 0.000 0.246 256 I C 1.969 177.904 176.117 -0.304 0.000 1.091 256 I CA 0.402 61.551 61.300 -0.252 0.000 1.469 256 I CB -1.063 36.704 38.000 -0.389 0.000 1.324 256 I HN 0.040 nan 8.210 nan 0.000 0.461 257 H N -0.883 118.155 119.070 -0.053 0.000 2.547 257 H HA -0.027 4.529 4.556 0.000 0.000 0.266 257 H C 1.336 176.667 175.328 0.006 0.000 0.988 257 H CA 0.646 56.651 56.048 -0.072 0.000 1.147 257 H CB 0.394 30.179 29.762 0.039 0.000 1.365 257 H HN 0.345 nan 8.280 nan 0.000 0.589 258 Y N 0.503 120.796 120.300 -0.012 0.000 2.583 258 Y HA -0.000 4.550 4.550 -0.000 0.000 0.270 258 Y C 2.347 178.209 175.900 -0.063 0.000 1.113 258 Y CA 0.994 59.079 58.100 -0.024 0.000 1.307 258 Y CB 0.021 38.465 38.460 -0.027 0.000 1.369 258 Y HN -0.115 nan 8.280 nan 0.000 0.506 259 T N 1.240 115.730 114.554 -0.107 0.000 2.708 259 T HA -0.122 4.228 4.350 0.000 0.000 0.266 259 T C 1.443 176.016 174.700 -0.211 0.000 1.037 259 T CA 1.901 63.887 62.100 -0.190 0.000 1.146 259 T CB -0.073 68.760 68.868 -0.059 0.000 0.865 259 T HN 0.296 nan 8.240 nan 0.000 0.435 260 E N 0.877 120.960 120.200 -0.194 0.000 2.034 260 E HA -0.012 4.338 4.350 0.000 0.000 0.192 260 E C 2.841 179.283 176.600 -0.264 0.000 0.963 260 E CA 1.595 57.869 56.400 -0.211 0.000 0.831 260 E CB -1.120 28.454 29.700 -0.211 0.000 0.801 260 E HN 0.610 nan 8.360 nan 0.000 0.463 261 T N -1.801 112.536 114.554 -0.362 0.000 2.904 261 T HA 0.051 4.401 4.350 0.000 0.000 0.267 261 T C 1.547 175.980 174.700 -0.445 0.000 1.059 261 T CA 1.387 63.142 62.100 -0.574 0.000 1.137 261 T CB -0.306 67.873 68.868 -1.149 0.000 0.879 261 T HN 0.385 nan 8.240 nan 0.000 0.467 262 G N 0.666 109.301 108.800 -0.276 0.000 2.176 262 G HA2 -0.227 3.733 3.960 0.000 0.000 0.252 262 G HA3 -0.227 3.733 3.960 0.000 0.000 0.252 262 G C 0.430 175.381 174.900 0.086 0.000 1.024 262 G CA 0.281 45.299 45.100 -0.136 0.000 0.755 262 G HN 0.439 nan 8.290 nan 0.000 0.507 263 F N 0.008 119.974 119.950 0.027 0.000 2.206 263 F HA 0.293 4.820 4.527 0.000 0.000 0.298 263 F C 2.278 178.072 175.800 -0.011 0.000 1.090 263 F CA 0.539 58.524 58.000 -0.025 0.000 1.323 263 F CB -0.370 38.567 39.000 -0.104 0.000 1.028 263 F HN 0.234 nan 8.300 nan 0.000 0.492 264 M N 0.521 120.276 119.600 0.259 0.000 2.194 264 M HA 0.142 4.622 4.480 0.000 0.000 0.347 264 M C 1.562 178.010 176.300 0.246 0.000 1.439 264 M CA 0.113 55.539 55.300 0.209 0.000 1.131 264 M CB 1.242 33.989 32.600 0.245 0.000 1.733 264 M HN -0.022 nan 8.290 nan 0.000 0.467 265 R N 2.234 122.810 120.500 0.128 0.000 2.073 265 R HA 0.036 4.376 4.340 0.000 0.000 0.229 265 R C -0.048 176.388 176.300 0.227 0.000 1.120 265 R CA 1.245 57.416 56.100 0.118 0.000 0.967 265 R CB 0.571 30.837 30.300 -0.058 0.000 0.862 265 R HN 0.679 nan 8.270 nan 0.000 0.436 266 E N -0.623 119.663 120.200 0.144 0.000 2.356 266 E HA 0.331 4.681 4.350 0.000 0.000 0.275 266 E C -1.746 174.769 176.600 -0.143 0.000 0.904 266 E CA -0.849 55.568 56.400 0.028 0.000 0.757 266 E CB 3.004 32.787 29.700 0.138 0.000 1.232 266 E HN -0.132 nan 8.360 nan 0.000 0.442 267 V N 2.451 122.080 119.914 -0.475 0.000 2.656 267 V HA 0.444 4.564 4.120 0.000 0.000 0.307 267 V C -1.424 174.399 176.094 -0.452 0.000 1.051 267 V CA -0.736 61.310 62.300 -0.422 0.000 0.893 267 V CB 1.156 32.577 31.823 -0.671 0.000 0.999 267 V HN 0.566 nan 8.190 nan 0.000 0.426 268 Y N 1.409 121.589 120.300 -0.201 0.000 2.462 268 Y HA 0.620 5.170 4.550 0.000 0.000 0.346 268 Y C 0.937 176.718 175.900 -0.198 0.000 0.976 268 Y CA -0.269 57.746 58.100 -0.141 0.000 1.044 268 Y CB 2.256 40.682 38.460 -0.057 0.000 1.230 268 Y HN 0.640 nan 8.280 nan 0.000 0.455 269 A N 1.378 124.190 122.820 -0.013 0.000 1.968 269 A HA 0.018 4.338 4.320 0.000 0.000 0.217 269 A C 0.943 178.544 177.584 0.028 0.000 1.169 269 A CA 1.262 53.241 52.037 -0.097 0.000 0.638 269 A CB -0.490 18.483 19.000 -0.045 0.000 0.812 269 A HN 0.583 nan 8.150 nan 0.000 0.446 270 S N -1.268 114.537 115.700 0.175 0.000 2.593 270 S HA 0.412 4.882 4.470 0.000 0.000 0.297 270 S C 0.438 175.228 174.600 0.317 0.000 1.112 270 S CA -0.463 57.888 58.200 0.252 0.000 1.043 270 S CB 1.359 64.646 63.200 0.146 0.000 1.054 270 S HN 0.318 nan 8.310 nan 0.000 0.516 271 E N 1.409 121.772 120.200 0.271 0.000 2.085 271 E HA -0.203 4.147 4.350 0.000 0.000 0.194 271 E C 1.426 178.145 176.600 0.198 0.000 0.994 271 E CA 1.704 58.279 56.400 0.292 0.000 0.801 271 E CB -0.235 29.541 29.700 0.127 0.000 0.743 271 E HN 0.776 nan 8.360 nan 0.000 0.453 272 E N 0.252 120.509 120.200 0.095 0.000 2.150 272 E HA -0.091 4.259 4.350 0.000 0.000 0.193 272 E C 2.086 178.658 176.600 -0.047 0.000 0.985 272 E CA 1.013 57.427 56.400 0.024 0.000 0.814 272 E CB -0.665 29.043 29.700 0.013 0.000 0.752 272 E HN 0.365 nan 8.360 nan 0.000 0.466 273 G N 0.678 109.459 108.800 -0.032 0.000 2.421 273 G HA2 -0.256 3.704 3.960 0.000 0.000 0.216 273 G HA3 -0.256 3.704 3.960 0.000 0.000 0.216 273 G C 1.749 176.161 174.900 -0.813 0.000 1.171 273 G CA 1.014 45.980 45.100 -0.223 0.000 0.775 273 G HN 0.210 nan 8.290 nan 0.000 0.543 274 V N 1.190 120.865 119.914 -0.398 0.000 2.282 274 V HA -0.200 3.920 4.120 0.000 0.000 0.249 274 V C 2.938 178.860 176.094 -0.286 0.000 1.057 274 V CA 1.762 63.838 62.300 -0.373 0.000 1.032 274 V CB -0.500 31.163 31.823 -0.266 0.000 0.645 274 V HN 0.369 nan 8.190 nan 0.000 0.447 275 L N -0.552 120.594 121.223 -0.128 0.000 2.141 275 L HA -0.121 4.219 4.340 0.000 0.000 0.209 275 L C 2.675 179.467 176.870 -0.129 0.000 1.094 275 L CA 1.178 55.980 54.840 -0.062 0.000 0.763 275 L CB -0.671 41.379 42.059 -0.014 0.000 0.908 275 L HN 0.314 nan 8.230 nan 0.000 0.437 276 E N 0.437 120.494 120.200 -0.238 0.000 2.150 276 E HA -0.126 4.224 4.350 0.000 0.000 0.193 276 E C 2.229 178.713 176.600 -0.194 0.000 0.985 276 E CA 1.227 57.507 56.400 -0.199 0.000 0.814 276 E CB -0.337 29.245 29.700 -0.196 0.000 0.752 276 E HN 0.502 nan 8.360 nan 0.000 0.466 277 G N 1.410 109.973 108.800 -0.394 0.000 2.418 277 G HA2 -0.212 3.748 3.960 0.000 0.000 0.217 277 G HA3 -0.212 3.748 3.960 0.000 0.000 0.217 277 G C 1.767 176.758 174.900 0.151 0.000 1.158 277 G CA 0.577 45.652 45.100 -0.041 0.000 0.771 277 G HN 0.195 nan 8.290 nan 0.000 0.545 278 I N 0.430 121.034 120.570 0.056 0.000 2.179 278 I HA -0.185 3.985 4.170 0.000 0.000 0.242 278 I C 2.812 178.990 176.117 0.101 0.000 1.088 278 I CA 1.343 62.710 61.300 0.112 0.000 1.357 278 I CB -0.211 37.832 38.000 0.071 0.000 1.051 278 I HN 0.141 nan 8.210 nan 0.000 0.409 279 K N 0.808 121.227 120.400 0.031 0.000 2.063 279 K HA -0.239 4.081 4.320 0.000 0.000 0.208 279 K C 2.158 178.756 176.600 -0.003 0.000 1.048 279 K CA 1.361 57.653 56.287 0.008 0.000 0.928 279 K CB -0.202 32.284 32.500 -0.024 0.000 0.713 279 K HN 0.239 nan 8.250 nan 0.000 0.442 280 K N 0.503 120.887 120.400 -0.026 0.000 2.009 280 K HA -0.201 4.119 4.320 0.000 0.000 0.210 280 K C 1.922 178.392 176.600 -0.216 0.000 1.049 280 K CA 1.710 57.912 56.287 -0.142 0.000 0.929 280 K CB -0.159 32.216 32.500 -0.209 0.000 0.714 280 K HN 0.137 nan 8.250 nan 0.000 0.440 281 Y N 0.180 120.504 120.300 0.040 0.000 2.263 281 Y HA -0.118 4.432 4.550 0.000 0.000 0.292 281 Y C 2.212 178.134 175.900 0.036 0.000 1.130 281 Y CA 0.628 58.753 58.100 0.042 0.000 1.179 281 Y CB -0.017 38.475 38.460 0.052 0.000 0.998 281 Y HN -0.134 nan 8.280 nan 0.000 0.532 282 V N -0.407 119.600 119.914 0.156 0.000 2.490 282 V HA -0.247 3.873 4.120 0.000 0.000 0.250 282 V C 2.446 178.574 176.094 0.058 0.000 1.061 282 V CA 1.937 64.299 62.300 0.103 0.000 1.064 282 V CB -1.269 30.602 31.823 0.080 0.000 0.670 282 V HN 0.584 nan 8.190 nan 0.000 0.461 283 G N -0.748 108.066 108.800 0.023 0.000 2.448 283 G HA2 -0.229 3.731 3.960 0.000 0.000 0.219 283 G HA3 -0.229 3.731 3.960 0.000 0.000 0.219 283 G C 1.513 176.412 174.900 -0.002 0.000 1.127 283 G CA 0.655 45.752 45.100 -0.005 0.000 0.766 283 G HN 0.477 nan 8.290 nan 0.000 0.552 284 M N 0.206 119.810 119.600 0.006 0.000 2.562 284 M HA 0.246 4.726 4.480 0.000 0.000 0.257 284 M C 0.556 176.881 176.300 0.041 0.000 1.099 284 M CA 0.142 55.451 55.300 0.016 0.000 1.099 284 M CB -0.078 32.541 32.600 0.032 0.000 1.427 284 M HN 0.026 nan 8.290 nan 0.000 0.489 285 L N 1.957 123.215 121.223 0.057 0.000 2.473 285 L HA 0.188 4.528 4.340 0.000 0.000 0.268 285 L C -1.851 175.045 176.870 0.043 0.000 1.215 285 L CA -1.790 53.088 54.840 0.062 0.000 0.823 285 L CB -0.419 41.688 42.059 0.080 0.000 1.099 285 L HN -0.074 nan 8.230 nan 0.000 0.483 286 P HA 0.262 nan 4.420 nan 0.000 0.277 286 P C -1.546 175.785 177.300 0.052 0.000 1.240 286 P CA -0.438 62.674 63.100 0.019 0.000 0.798 286 P CB 1.316 33.022 31.700 0.010 0.000 0.979 287 K N 0.479 120.891 120.400 0.020 0.000 2.610 287 K HA 0.396 4.716 4.320 0.000 0.000 0.278 287 K C -1.683 174.947 176.600 0.049 0.000 0.964 287 K CA -0.918 55.436 56.287 0.111 0.000 0.859 287 K CB 0.542 33.119 32.500 0.128 0.000 1.434 287 K HN 0.131 nan 8.250 nan 0.000 0.410 288 Y N 1.116 121.482 120.300 0.110 0.000 2.308 288 Y HA 0.153 4.703 4.550 0.000 0.000 0.329 288 Y C 0.364 176.327 175.900 0.106 0.000 1.111 288 Y CA -0.071 58.065 58.100 0.061 0.000 1.179 288 Y CB 1.178 39.749 38.460 0.185 0.000 1.201 288 Y HN 0.659 nan 8.280 nan 0.000 0.483 289 D N 5.797 126.308 120.400 0.185 0.000 2.450 289 D HA -0.018 4.622 4.640 0.000 0.000 0.247 289 D C -1.504 174.956 176.300 0.268 0.000 1.162 289 D CA -1.402 52.705 54.000 0.178 0.000 0.879 289 D CB 1.368 42.246 40.800 0.132 0.000 1.163 289 D HN 0.319 nan 8.370 nan 0.000 0.472 290 P HA -0.207 nan 4.420 nan 0.000 0.218 290 P C 1.119 178.560 177.300 0.235 0.000 1.146 290 P CA 1.022 64.279 63.100 0.262 0.000 0.813 290 P CB 0.259 32.081 31.700 0.203 0.000 0.778 291 E N -0.951 119.380 120.200 0.219 0.000 2.209 291 E HA -0.201 4.149 4.350 0.000 0.000 0.196 291 E C 1.831 178.574 176.600 0.239 0.000 0.993 291 E CA 0.499 57.037 56.400 0.230 0.000 0.819 291 E CB -0.570 29.248 29.700 0.197 0.000 0.745 291 E HN 0.101 nan 8.360 nan 0.000 0.477 292 F N 0.010 119.991 119.950 0.052 0.000 2.126 292 F HA -0.180 4.347 4.527 -0.000 0.000 0.299 292 F C 1.325 177.047 175.800 -0.131 0.000 1.096 292 F CA 1.600 59.546 58.000 -0.089 0.000 1.255 292 F CB -0.139 38.722 39.000 -0.232 0.000 0.997 292 F HN 0.019 nan 8.300 nan 0.000 0.479 293 F N -0.102 119.981 119.950 0.221 0.000 2.693 293 F HA 0.226 4.753 4.527 0.000 0.000 0.303 293 F C 1.047 176.802 175.800 -0.074 0.000 1.097 293 F CA -0.357 57.695 58.000 0.087 0.000 1.330 293 F CB -0.139 38.798 39.000 -0.105 0.000 1.067 293 F HN -0.406 nan 8.300 nan 0.000 0.565 294 R N 0.520 121.046 120.500 0.044 0.000 2.531 294 R HA 0.268 4.608 4.340 0.000 0.000 0.273 294 R C 0.893 176.918 176.300 -0.458 0.000 1.070 294 R CA 0.041 56.022 56.100 -0.198 0.000 1.112 294 R CB 1.573 31.805 30.300 -0.113 0.000 1.049 294 R HN 0.080 nan 8.270 nan 0.000 0.508 295 V N -2.666 116.797 119.914 -0.753 0.000 3.432 295 V HA 0.316 4.436 4.120 0.000 0.000 0.298 295 V C -0.205 175.340 176.094 -0.914 0.000 1.464 295 V CA -0.017 61.795 62.300 -0.814 0.000 1.046 295 V CB 0.327 31.612 31.823 -0.897 0.000 0.887 295 V HN 0.623 nan 8.190 nan 0.000 0.441 296 D N -0.726 118.893 120.400 -1.301 0.000 2.694 296 D HA 0.254 4.894 4.640 0.000 0.000 0.260 296 D C -1.747 174.145 176.300 -0.680 0.000 1.250 296 D CA -0.341 53.122 54.000 -0.896 0.000 0.763 296 D CB 2.184 42.787 40.800 -0.327 0.000 1.311 296 D HN 0.079 nan 8.370 nan 0.000 0.420 297 D N 1.080 121.355 120.400 -0.207 0.000 2.341 297 D HA 0.307 4.947 4.640 0.000 0.000 0.245 297 D C -2.059 174.213 176.300 -0.047 0.000 1.106 297 D CA -0.888 53.102 54.000 -0.016 0.000 0.905 297 D CB 0.620 41.459 40.800 0.065 0.000 1.202 297 D HN 0.089 nan 8.370 nan 0.000 0.426 298 P HA 0.085 nan 4.420 nan 0.000 0.266 298 P C -0.609 176.698 177.300 0.011 0.000 1.195 298 P CA 0.311 63.413 63.100 0.004 0.000 0.768 298 P CB 0.598 32.317 31.700 0.031 0.000 0.838 299 K N 1.658 122.067 120.400 0.016 0.000 2.501 299 K HA 0.667 4.987 4.320 0.000 0.000 0.252 299 K C -0.728 175.889 176.600 0.028 0.000 0.934 299 K CA -0.873 55.424 56.287 0.016 0.000 0.797 299 K CB 2.520 35.025 32.500 0.008 0.000 1.270 299 K HN 0.386 nan 8.250 nan 0.000 0.431 300 A N 3.278 126.112 122.820 0.023 0.000 2.366 300 A HA 0.430 4.750 4.320 0.000 0.000 0.249 300 A C -2.332 175.268 177.584 0.026 0.000 1.084 300 A CA -1.106 50.948 52.037 0.029 0.000 0.794 300 A CB -0.346 18.669 19.000 0.026 0.000 1.034 300 A HN 0.370 nan 8.150 nan 0.000 0.491 301 P HA 0.133 nan 4.420 nan 0.000 0.268 301 P C 0.446 177.741 177.300 -0.007 0.000 1.208 301 P CA 0.732 63.867 63.100 0.059 0.000 0.777 301 P CB 0.616 32.373 31.700 0.096 0.000 0.875 302 A N 1.780 124.546 122.820 -0.090 0.000 2.206 302 A HA 0.094 4.414 4.320 0.000 0.000 0.211 302 A C 0.193 177.426 177.584 -0.586 0.000 1.158 302 A CA 1.011 52.834 52.037 -0.357 0.000 0.761 302 A CB -0.839 17.850 19.000 -0.519 0.000 0.801 302 A HN 0.480 nan 8.150 nan 0.000 0.473 303 F N -1.404 118.575 119.950 0.048 0.000 2.577 303 F HA 0.493 5.020 4.527 0.000 0.000 0.318 303 F C -2.558 173.268 175.800 0.044 0.000 1.065 303 F CA -2.741 55.286 58.000 0.045 0.000 0.929 303 F CB 1.400 40.430 39.000 0.050 0.000 1.237 303 F HN -0.218 nan 8.300 nan 0.000 0.468 304 P HA 0.119 nan 4.420 nan 0.000 0.268 304 P C -0.088 177.294 177.300 0.136 0.000 1.204 304 P CA 0.166 63.359 63.100 0.155 0.000 0.768 304 P CB 1.041 32.825 31.700 0.139 0.000 0.842 305 A N 3.186 126.067 122.820 0.102 0.000 1.969 305 A HA -0.173 4.147 4.320 0.000 0.000 0.218 305 A C 1.646 179.258 177.584 0.047 0.000 1.169 305 A CA 1.519 53.593 52.037 0.061 0.000 0.635 305 A CB -1.003 18.027 19.000 0.051 0.000 0.810 305 A HN 0.454 nan 8.150 nan 0.000 0.445 306 D N 0.548 121.021 120.400 0.121 0.000 2.311 306 D HA -0.116 4.524 4.640 0.000 0.000 0.212 306 D C 0.894 177.310 176.300 0.194 0.000 0.972 306 D CA 1.028 55.168 54.000 0.233 0.000 0.887 306 D CB -0.322 40.627 40.800 0.249 0.000 0.915 306 D HN 0.404 nan 8.370 nan 0.000 0.497 307 D N 0.051 120.514 120.400 0.105 0.000 2.218 307 D HA -0.111 4.529 4.640 0.000 0.000 0.204 307 D C 2.021 178.335 176.300 0.023 0.000 0.976 307 D CA 0.128 54.171 54.000 0.071 0.000 0.853 307 D CB -0.065 40.761 40.800 0.044 0.000 0.939 307 D HN 0.150 nan 8.370 nan 0.000 0.481 308 L N 0.110 121.305 121.223 -0.046 0.000 2.187 308 L HA -0.186 4.154 4.340 0.000 0.000 0.213 308 L C 1.781 178.552 176.870 -0.164 0.000 1.100 308 L CA 1.256 56.008 54.840 -0.148 0.000 0.765 308 L CB -1.069 40.847 42.059 -0.238 0.000 0.904 308 L HN 0.131 nan 8.230 nan 0.000 0.437 309 Y N -1.467 118.823 120.300 -0.017 0.000 2.483 309 Y HA -0.145 4.405 4.550 0.000 0.000 0.291 309 Y C 2.549 178.435 175.900 -0.024 0.000 1.143 309 Y CA 1.213 59.303 58.100 -0.018 0.000 1.289 309 Y CB -0.276 38.185 38.460 0.001 0.000 0.983 309 Y HN 0.153 nan 8.280 nan 0.000 0.556 310 S N -1.612 114.150 115.700 0.103 0.000 2.527 310 S HA 0.066 4.536 4.470 0.000 0.000 0.227 310 S C 1.686 176.287 174.600 0.002 0.000 1.059 310 S CA 0.180 58.412 58.200 0.053 0.000 0.919 310 S CB 0.067 63.299 63.200 0.052 0.000 0.805 310 S HN 0.327 nan 8.310 nan 0.000 0.500 311 M N 1.293 120.876 119.600 -0.028 0.000 2.506 311 M HA 0.120 4.600 4.480 0.000 0.000 0.260 311 M C -0.277 175.924 176.300 -0.164 0.000 1.104 311 M CA 0.709 55.976 55.300 -0.056 0.000 1.112 311 M CB 0.178 32.751 32.600 -0.044 0.000 1.401 311 M HN -0.049 nan 8.290 nan 0.000 0.473 312 V N 2.410 122.190 119.914 -0.223 0.000 2.288 312 V HA 0.252 4.372 4.120 0.000 0.000 0.266 312 V C -2.382 173.561 176.094 -0.252 0.000 1.048 312 V CA -1.730 60.327 62.300 -0.404 0.000 0.842 312 V CB 0.139 31.751 31.823 -0.351 0.000 1.064 312 V HN 0.022 nan 8.190 nan 0.000 0.472 313 P HA 0.085 nan 4.420 nan 0.000 0.271 313 P C 0.638 177.903 177.300 -0.059 0.000 1.226 313 P CA -0.212 62.842 63.100 -0.076 0.000 0.765 313 P CB 1.014 32.716 31.700 0.003 0.000 0.835 314 L N 3.898 125.108 121.223 -0.021 0.000 2.093 314 L HA 0.002 4.342 4.340 0.000 0.000 0.208 314 L C 0.739 177.621 176.870 0.020 0.000 1.085 314 L CA 1.392 56.231 54.840 -0.002 0.000 0.755 314 L CB -0.792 41.279 42.059 0.019 0.000 0.904 314 L HN 0.296 nan 8.230 nan 0.000 0.435 315 N N 1.279 119.995 118.700 0.027 0.000 2.416 315 N HA -0.097 4.643 4.740 0.000 0.000 0.271 315 N C 0.184 175.723 175.510 0.049 0.000 1.245 315 N CA 0.530 53.603 53.050 0.039 0.000 0.940 315 N CB 0.598 39.106 38.487 0.034 0.000 1.175 315 N HN 0.397 nan 8.380 nan 0.000 0.483 316 D N 2.793 123.225 120.400 0.054 0.000 2.390 316 D HA -0.101 4.539 4.640 0.000 0.000 0.235 316 D C 0.591 176.927 176.300 0.060 0.000 1.040 316 D CA 1.056 55.094 54.000 0.062 0.000 0.923 316 D CB 0.114 40.949 40.800 0.057 0.000 0.886 316 D HN 0.500 nan 8.370 nan 0.000 0.532 317 K N -0.593 119.837 120.400 0.051 0.000 2.352 317 K HA 0.117 4.437 4.320 0.000 0.000 0.194 317 K C 0.364 176.993 176.600 0.048 0.000 1.038 317 K CA -0.242 56.070 56.287 0.041 0.000 1.023 317 K CB 0.551 33.068 32.500 0.029 0.000 0.840 317 K HN -0.032 nan 8.250 nan 0.000 0.519 318 R N 1.369 121.909 120.500 0.066 0.000 2.308 318 R HA 0.310 4.650 4.340 0.000 0.000 0.305 318 R C -0.004 176.375 176.300 0.131 0.000 1.053 318 R CA -0.188 55.960 56.100 0.080 0.000 0.957 318 R CB 0.990 31.336 30.300 0.077 0.000 1.022 318 R HN 0.072 nan 8.270 nan 0.000 0.461 319 A N 3.149 126.022 122.820 0.087 0.000 2.259 319 A HA 0.647 4.968 4.320 0.000 0.000 0.278 319 A C -0.627 177.042 177.584 0.141 0.000 1.107 319 A CA -0.160 51.901 52.037 0.040 0.000 0.828 319 A CB 0.424 19.401 19.000 -0.039 0.000 1.111 319 A HN 0.769 nan 8.150 nan 0.000 0.498 320 Y N -2.599 117.691 120.300 -0.016 0.000 2.779 320 Y HA 0.568 5.118 4.550 0.000 0.000 0.340 320 Y C -1.324 174.561 175.900 -0.025 0.000 1.252 320 Y CA -1.462 56.627 58.100 -0.018 0.000 1.072 320 Y CB 0.741 39.189 38.460 -0.021 0.000 1.343 320 Y HN 0.472 nan 8.280 nan 0.000 0.450 321 D N 1.582 122.057 120.400 0.124 0.000 2.396 321 D HA 0.159 4.799 4.640 0.000 0.000 0.225 321 D C 0.531 176.890 176.300 0.097 0.000 1.121 321 D CA -0.199 53.824 54.000 0.039 0.000 0.853 321 D CB 1.373 42.235 40.800 0.102 0.000 1.043 321 D HN 0.712 nan 8.370 nan 0.000 0.500 322 I N 4.589 125.082 120.570 -0.128 0.000 2.530 322 I HA -0.229 3.941 4.170 0.000 0.000 0.257 322 I C 1.163 177.238 176.117 -0.070 0.000 1.179 322 I CA 1.370 62.630 61.300 -0.067 0.000 1.440 322 I CB -0.301 37.544 38.000 -0.258 0.000 1.087 322 I HN 0.490 nan 8.210 nan 0.000 0.440 323 Y N 0.152 120.483 120.300 0.052 0.000 2.333 323 Y HA -0.208 4.342 4.550 -0.000 0.000 0.290 323 Y C 2.397 178.336 175.900 0.064 0.000 1.144 323 Y CA 1.124 59.256 58.100 0.053 0.000 1.228 323 Y CB -0.553 37.923 38.460 0.026 0.000 0.985 323 Y HN 0.251 nan 8.280 nan 0.000 0.542 324 N N -0.261 118.543 118.700 0.172 0.000 2.244 324 N HA -0.132 4.608 4.740 0.000 0.000 0.183 324 N C 1.853 177.416 175.510 0.088 0.000 1.016 324 N CA 1.211 54.303 53.050 0.071 0.000 0.866 324 N CB -0.301 38.198 38.487 0.020 0.000 0.980 324 N HN 0.190 nan 8.380 nan 0.000 0.430 325 V N 1.609 121.589 119.914 0.111 0.000 2.283 325 V HA -0.096 4.024 4.120 0.000 0.000 0.243 325 V C 2.324 178.511 176.094 0.155 0.000 1.039 325 V CA 0.976 63.330 62.300 0.090 0.000 1.016 325 V CB -0.325 31.548 31.823 0.083 0.000 0.650 325 V HN 0.167 nan 8.190 nan 0.000 0.449 326 I N 0.869 121.571 120.570 0.220 0.000 2.208 326 I HA -0.268 3.902 4.170 0.000 0.000 0.245 326 I C 2.634 178.991 176.117 0.400 0.000 1.097 326 I CA 1.615 63.138 61.300 0.372 0.000 1.363 326 I CB -0.569 37.606 38.000 0.291 0.000 1.051 326 I HN 0.304 nan 8.210 nan 0.000 0.413 327 A N 0.582 123.587 122.820 0.309 0.000 2.070 327 A HA -0.147 4.173 4.320 0.000 0.000 0.220 327 A C 2.189 179.958 177.584 0.309 0.000 1.159 327 A CA 1.340 53.575 52.037 0.331 0.000 0.656 327 A CB -0.445 18.767 19.000 0.354 0.000 0.800 327 A HN 0.408 nan 8.150 nan 0.000 0.453 328 R N -1.215 119.416 120.500 0.219 0.000 2.393 328 R HA 0.405 4.745 4.340 0.000 0.000 0.244 328 R C 0.747 177.077 176.300 0.050 0.000 0.920 328 R CA 0.008 56.199 56.100 0.152 0.000 1.076 328 R CB 0.169 30.538 30.300 0.116 0.000 1.119 328 R HN 0.438 nan 8.270 nan 0.000 0.524 329 L N -0.985 120.234 121.223 -0.007 0.000 2.717 329 L HA 0.341 4.681 4.340 0.000 0.000 0.239 329 L C -0.187 176.362 176.870 -0.535 0.000 1.086 329 L CA 0.123 54.785 54.840 -0.297 0.000 0.897 329 L CB 0.448 42.219 42.059 -0.480 0.000 1.214 329 L HN -0.030 nan 8.230 nan 0.000 0.508 330 F N -0.080 119.935 119.950 0.108 0.000 2.507 330 F HA 0.306 4.833 4.527 0.000 0.000 0.327 330 F C 0.273 176.123 175.800 0.083 0.000 1.068 330 F CA -1.311 56.749 58.000 0.100 0.000 0.965 330 F CB 0.637 39.699 39.000 0.104 0.000 1.192 330 F HN -0.205 nan 8.300 nan 0.000 0.476 331 D N 1.514 122.055 120.400 0.235 0.000 2.752 331 D HA -0.106 4.534 4.640 0.000 0.000 0.225 331 D C 0.772 177.142 176.300 0.116 0.000 1.104 331 D CA 1.154 55.234 54.000 0.134 0.000 0.832 331 D CB -0.063 40.797 40.800 0.100 0.000 1.161 331 D HN 0.606 nan 8.370 nan 0.000 0.505 332 N N 1.538 120.277 118.700 0.065 0.000 2.678 332 N HA -0.349 4.391 4.740 0.000 0.000 0.249 332 N C -0.493 175.048 175.510 0.051 0.000 1.119 332 N CA 1.268 54.334 53.050 0.028 0.000 0.718 332 N CB -0.756 37.739 38.487 0.012 0.000 1.060 332 N HN 0.404 nan 8.380 nan 0.000 0.552 333 S N -2.182 113.593 115.700 0.124 0.000 3.521 333 S HA -0.270 4.200 4.470 0.000 0.000 0.328 333 S C -0.125 174.571 174.600 0.160 0.000 1.165 333 S CA 1.316 59.630 58.200 0.190 0.000 0.941 333 S CB -1.186 62.141 63.200 0.212 0.000 0.951 333 S HN 0.674 nan 8.310 nan 0.000 0.539 334 E N -0.096 120.185 120.200 0.135 0.000 2.301 334 E HA 0.623 4.973 4.350 0.000 0.000 0.275 334 E C -0.304 176.357 176.600 0.100 0.000 1.030 334 E CA -0.562 55.896 56.400 0.095 0.000 0.852 334 E CB 1.072 30.817 29.700 0.075 0.000 1.060 334 E HN 0.260 nan 8.360 nan 0.000 0.401 335 L N 2.746 124.015 121.223 0.076 0.000 2.614 335 L HA 0.230 4.570 4.340 0.000 0.000 0.264 335 L C -1.899 175.043 176.870 0.120 0.000 0.940 335 L CA -0.434 54.453 54.840 0.079 0.000 0.903 335 L CB 1.612 43.722 42.059 0.084 0.000 1.306 335 L HN 0.520 nan 8.230 nan 0.000 0.410 336 H N 4.233 123.340 119.070 0.062 0.000 2.673 336 H HA 0.451 5.007 4.556 0.000 0.000 0.293 336 H C -0.692 174.695 175.328 0.097 0.000 1.065 336 H CA -0.285 55.815 56.048 0.087 0.000 1.236 336 H CB 0.764 30.600 29.762 0.124 0.000 1.389 336 H HN 0.724 nan 8.280 nan 0.000 0.481 337 E N 2.997 123.379 120.200 0.304 0.000 2.398 337 E HA -0.038 4.312 4.350 0.000 0.000 0.263 337 E C -0.773 175.912 176.600 0.142 0.000 1.046 337 E CA -0.157 56.337 56.400 0.156 0.000 0.908 337 E CB 1.131 30.902 29.700 0.118 0.000 0.963 337 E HN 0.451 nan 8.360 nan 0.000 0.431 338 Y N 2.392 122.641 120.300 -0.084 0.000 2.335 338 Y HA 0.133 4.683 4.550 -0.000 0.000 0.339 338 Y C -0.194 175.586 175.900 -0.199 0.000 0.987 338 Y CA -0.837 57.205 58.100 -0.096 0.000 1.140 338 Y CB 0.550 38.997 38.460 -0.021 0.000 1.173 338 Y HN 0.515 nan 8.280 nan 0.000 0.486 339 K N 3.736 123.654 120.400 -0.804 0.000 3.156 339 K HA -0.301 4.019 4.320 0.000 0.000 0.266 339 K C -0.261 176.105 176.600 -0.391 0.000 0.966 339 K CA 0.975 56.532 56.287 -1.217 0.000 0.719 339 K CB -0.674 30.863 32.500 -1.606 0.000 1.333 339 K HN 0.744 nan 8.250 nan 0.000 0.468 340 K N 0.174 120.535 120.400 -0.065 0.000 2.448 340 K HA 0.100 4.420 4.320 0.000 0.000 0.278 340 K C 1.332 178.008 176.600 0.127 0.000 1.009 340 K CA 1.204 57.519 56.287 0.045 0.000 0.995 340 K CB 0.462 33.017 32.500 0.092 0.000 0.917 340 K HN 0.445 nan 8.250 nan 0.000 0.481 341 G N 2.731 111.570 108.800 0.065 0.000 2.279 341 G HA2 -0.300 3.660 3.960 0.000 0.000 0.223 341 G HA3 -0.300 3.660 3.960 0.000 0.000 0.223 341 G C -0.682 174.273 174.900 0.091 0.000 1.015 341 G CA 0.270 45.415 45.100 0.076 0.000 0.621 341 G HN 0.664 nan 8.290 nan 0.000 0.506 342 Y N 1.708 121.999 120.300 -0.016 0.000 2.326 342 Y HA 0.463 5.013 4.550 -0.000 0.000 0.337 342 Y C 0.935 176.795 175.900 -0.067 0.000 1.023 342 Y CA -0.170 57.918 58.100 -0.019 0.000 1.143 342 Y CB 1.410 39.827 38.460 -0.072 0.000 1.183 342 Y HN 1.503 nan 8.280 nan 0.000 0.485 343 G N 7.906 116.360 108.800 -0.577 0.000 2.351 343 G HA2 -0.215 3.745 3.960 0.000 0.000 0.297 343 G HA3 -0.215 3.745 3.960 0.000 0.000 0.297 343 G C -1.599 173.140 174.900 -0.268 0.000 1.054 343 G CA -0.065 44.808 45.100 -0.378 0.000 1.123 343 G HN 0.640 nan 8.290 nan 0.000 0.512 344 P HA -0.108 nan 4.420 nan 0.000 0.226 344 P C 1.147 178.308 177.300 -0.231 0.000 1.146 344 P CA 1.486 64.384 63.100 -0.337 0.000 0.773 344 P CB 0.186 31.593 31.700 -0.487 0.000 0.772 345 E N -1.303 118.808 120.200 -0.149 0.000 2.347 345 E HA 0.022 4.372 4.350 0.000 0.000 0.196 345 E C 1.012 177.592 176.600 -0.033 0.000 1.008 345 E CA 0.782 57.181 56.400 -0.001 0.000 0.852 345 E CB -0.355 29.485 29.700 0.234 0.000 0.783 345 E HN 0.266 nan 8.360 nan 0.000 0.505 346 M N 0.238 119.800 119.600 -0.062 0.000 2.591 346 M HA 0.412 4.892 4.480 0.000 0.000 0.306 346 M C -0.871 175.356 176.300 -0.122 0.000 1.190 346 M CA -1.164 54.089 55.300 -0.078 0.000 0.889 346 M CB 2.335 34.911 32.600 -0.040 0.000 1.728 346 M HN -0.289 nan 8.290 nan 0.000 0.458 347 V N 1.691 121.512 119.914 -0.156 0.000 2.417 347 V HA 0.689 4.809 4.120 0.000 0.000 0.291 347 V C -0.265 175.669 176.094 -0.266 0.000 1.024 347 V CA -0.474 61.723 62.300 -0.172 0.000 0.861 347 V CB 1.807 33.512 31.823 -0.196 0.000 0.985 347 V HN 0.969 nan 8.190 nan 0.000 0.436 348 T N 1.356 115.695 114.554 -0.358 0.000 2.890 348 T HA 0.866 5.216 4.350 0.000 0.000 0.295 348 T C -0.195 174.092 174.700 -0.689 0.000 0.993 348 T CA -0.351 61.261 62.100 -0.813 0.000 0.979 348 T CB 1.598 69.811 68.868 -1.092 0.000 0.967 348 T HN 1.083 nan 8.240 nan 0.000 0.441 349 G N 1.992 110.455 108.800 -0.562 0.000 2.608 349 G HA2 0.590 4.550 3.960 0.000 0.000 0.291 349 G HA3 0.590 4.550 3.960 0.000 0.000 0.291 349 G C -1.662 173.297 174.900 0.097 0.000 1.425 349 G CA -1.107 43.929 45.100 -0.107 0.000 0.787 349 G HN 0.842 nan 8.290 nan 0.000 0.484 350 L N 0.440 121.761 121.223 0.163 0.000 2.334 350 L HA 0.724 5.064 4.340 0.000 0.000 0.277 350 L C 0.636 177.541 176.870 0.059 0.000 1.075 350 L CA -0.414 54.515 54.840 0.148 0.000 0.804 350 L CB 1.451 43.638 42.059 0.213 0.000 1.174 350 L HN 0.852 nan 8.230 nan 0.000 0.438 351 A N 3.611 126.422 122.820 -0.014 0.000 2.567 351 A HA 0.796 5.116 4.320 0.000 0.000 0.289 351 A C -1.446 176.174 177.584 0.060 0.000 1.177 351 A CA -0.755 51.248 52.037 -0.058 0.000 0.694 351 A CB 1.845 20.564 19.000 -0.469 0.000 1.292 351 A HN 0.637 nan 8.150 nan 0.000 0.425 352 K N -0.196 120.296 120.400 0.154 0.000 2.371 352 K HA 0.658 4.978 4.320 0.000 0.000 0.251 352 K C -1.738 175.020 176.600 0.263 0.000 0.934 352 K CA -0.670 55.709 56.287 0.154 0.000 0.798 352 K CB 2.611 35.145 32.500 0.057 0.000 1.204 352 K HN 0.330 nan 8.250 nan 0.000 0.427 353 V N 2.925 122.959 119.914 0.199 0.000 2.380 353 V HA 0.188 4.308 4.120 0.000 0.000 0.286 353 V C -0.268 175.879 176.094 0.088 0.000 1.015 353 V CA -0.863 61.544 62.300 0.179 0.000 0.834 353 V CB 0.614 32.571 31.823 0.223 0.000 1.009 353 V HN 0.941 nan 8.190 nan 0.000 0.428 354 N N 4.117 122.858 118.700 0.067 0.000 2.725 354 N HA -0.244 4.496 4.740 0.000 0.000 0.251 354 N C 1.220 176.725 175.510 -0.009 0.000 1.031 354 N CA 0.537 53.612 53.050 0.042 0.000 0.720 354 N CB -0.660 37.870 38.487 0.072 0.000 0.930 354 N HN 1.328 nan 8.380 nan 0.000 0.543 355 G N -1.166 107.605 108.800 -0.049 0.000 2.245 355 G HA2 -0.343 3.617 3.960 0.000 0.000 0.264 355 G HA3 -0.343 3.617 3.960 0.000 0.000 0.264 355 G C 0.177 174.951 174.900 -0.210 0.000 0.985 355 G CA 0.605 45.608 45.100 -0.162 0.000 0.625 355 G HN 0.382 nan 8.290 nan 0.000 0.536 356 L N 0.614 121.749 121.223 -0.146 0.000 2.305 356 L HA 0.612 4.952 4.340 0.000 0.000 0.281 356 L C 0.670 177.476 176.870 -0.108 0.000 1.085 356 L CA -1.102 53.584 54.840 -0.257 0.000 0.813 356 L CB 1.252 43.143 42.059 -0.280 0.000 1.157 356 L HN 0.126 nan 8.230 nan 0.000 0.436 357 L N 5.015 126.157 121.223 -0.134 0.000 2.367 357 L HA 0.477 4.817 4.340 0.000 0.000 0.275 357 L C -0.146 176.824 176.870 0.167 0.000 1.129 357 L CA 0.241 55.081 54.840 -0.000 0.000 0.839 357 L CB 1.269 43.273 42.059 -0.091 0.000 1.133 357 L HN 0.435 nan 8.230 nan 0.000 0.453 358 V N 1.595 121.591 119.914 0.136 0.000 3.159 358 V HA 0.951 5.071 4.120 0.000 0.000 0.308 358 V C -0.061 176.072 176.094 0.064 0.000 1.190 358 V CA -0.404 61.981 62.300 0.143 0.000 1.037 358 V CB 1.277 33.250 31.823 0.249 0.000 1.060 358 V HN 0.845 nan 8.190 nan 0.000 0.437 359 G N 0.489 109.308 108.800 0.033 0.000 2.400 359 G HA2 0.628 4.588 3.960 0.000 0.000 0.301 359 G HA3 0.628 4.588 3.960 0.000 0.000 0.301 359 G C -0.983 173.933 174.900 0.027 0.000 1.154 359 G CA -0.675 44.477 45.100 0.086 0.000 0.852 359 G HN 1.180 nan 8.290 nan 0.000 0.511 360 V N 1.335 121.245 119.914 -0.006 0.000 2.588 360 V HA 0.561 4.681 4.120 0.000 0.000 0.304 360 V C -0.494 175.417 176.094 -0.305 0.000 1.042 360 V CA -0.687 61.481 62.300 -0.221 0.000 0.877 360 V CB 1.852 33.423 31.823 -0.421 0.000 0.996 360 V HN 0.571 nan 8.190 nan 0.000 0.425 361 V N 3.122 122.826 119.914 -0.350 0.000 2.525 361 V HA 0.943 5.063 4.120 0.000 0.000 0.299 361 V C -0.045 175.962 176.094 -0.145 0.000 1.034 361 V CA -0.310 61.775 62.300 -0.359 0.000 0.863 361 V CB 1.590 33.035 31.823 -0.629 0.000 0.999 361 V HN 1.128 nan 8.190 nan 0.000 0.423 362 A N 3.844 126.596 122.820 -0.113 0.000 2.549 362 A HA 0.778 5.098 4.320 0.000 0.000 0.297 362 A C -0.770 176.770 177.584 -0.072 0.000 1.061 362 A CA -0.830 51.176 52.037 -0.053 0.000 0.690 362 A CB 1.322 20.286 19.000 -0.060 0.000 1.287 362 A HN 0.788 nan 8.150 nan 0.000 0.402 363 N N -0.202 118.474 118.700 -0.040 0.000 2.518 363 N HA 0.423 5.163 4.740 0.000 0.000 0.266 363 N C -0.528 174.894 175.510 -0.146 0.000 1.196 363 N CA 0.034 53.046 53.050 -0.063 0.000 0.947 363 N CB 1.193 39.661 38.487 -0.032 0.000 1.098 363 N HN 0.371 nan 8.380 nan 0.000 0.450 364 V N 2.334 122.152 119.914 -0.159 0.000 2.472 364 V HA 0.244 4.364 4.120 0.000 0.000 0.290 364 V C 0.011 175.977 176.094 -0.213 0.000 1.037 364 V CA -0.641 61.522 62.300 -0.228 0.000 0.908 364 V CB 1.340 33.047 31.823 -0.193 0.000 0.985 364 V HN 0.565 nan 8.190 nan 0.000 0.454 365 Q N 2.114 121.725 119.800 -0.315 0.000 2.204 365 Q HA 0.799 5.139 4.340 0.000 0.000 0.254 365 Q C 0.397 176.278 176.000 -0.197 0.000 0.981 365 Q CA 0.238 55.865 55.803 -0.294 0.000 0.897 365 Q CB 1.973 30.384 28.738 -0.545 0.000 1.273 365 Q HN 1.136 nan 8.270 nan 0.000 0.464 366 G N -0.269 108.455 108.800 -0.126 0.000 2.498 366 G HA2 -0.121 3.839 3.960 0.000 0.000 0.651 366 G HA3 -0.121 3.839 3.960 0.000 0.000 0.651 366 G C -1.230 173.642 174.900 -0.047 0.000 1.284 366 G CA -1.023 44.030 45.100 -0.079 0.000 0.950 366 G HN 0.386 nan 8.290 nan 0.000 0.511 367 L N -0.002 121.200 121.223 -0.036 0.000 2.326 367 L HA 0.561 4.901 4.340 0.000 0.000 0.278 367 L C 0.417 177.261 176.870 -0.042 0.000 1.092 367 L CA -0.585 54.239 54.840 -0.026 0.000 0.810 367 L CB 1.005 43.051 42.059 -0.021 0.000 1.153 367 L HN 0.416 nan 8.230 nan 0.000 0.439 368 L N 4.418 125.617 121.223 -0.041 0.000 2.301 368 L HA 0.360 4.700 4.340 0.000 0.000 0.278 368 L C -0.119 176.723 176.870 -0.047 0.000 1.022 368 L CA -0.552 54.240 54.840 -0.079 0.000 0.854 368 L CB 1.064 43.059 42.059 -0.107 0.000 1.226 368 L HN 0.530 nan 8.230 nan 0.000 0.429 369 M N 2.135 121.704 119.600 -0.052 0.000 2.245 369 M HA 0.048 4.528 4.480 0.000 0.000 0.344 369 M C 0.837 177.128 176.300 -0.016 0.000 1.170 369 M CA 0.477 55.757 55.300 -0.033 0.000 1.135 369 M CB -0.463 32.117 32.600 -0.033 0.000 1.574 369 M HN 0.572 nan 8.290 nan 0.000 0.452 370 N N 0.992 119.683 118.700 -0.015 0.000 2.705 370 N HA -0.258 4.482 4.740 0.000 0.000 0.255 370 N C -1.596 173.937 175.510 0.038 0.000 1.008 370 N CA 0.373 53.418 53.050 -0.010 0.000 0.742 370 N CB -1.104 37.379 38.487 -0.006 0.000 0.906 370 N HN 0.591 nan 8.380 nan 0.000 0.541 371 Y N -0.488 119.683 120.300 -0.215 0.000 2.592 371 Y HA 0.455 5.005 4.550 0.000 0.000 0.334 371 Y C -2.668 172.959 175.900 -0.456 0.000 1.136 371 Y CA -1.854 56.049 58.100 -0.329 0.000 1.042 371 Y CB 1.747 40.005 38.460 -0.336 0.000 1.325 371 Y HN -0.146 nan 8.280 nan 0.000 0.457 372 P HA 0.097 nan 4.420 nan 0.000 0.278 372 P C -0.045 176.711 177.300 -0.908 0.000 1.258 372 P CA 0.006 62.063 63.100 -1.738 0.000 0.811 372 P CB 1.061 31.626 31.700 -1.893 0.000 1.063 373 E N 1.736 121.571 120.200 -0.609 0.000 2.338 373 E HA -0.193 4.157 4.350 0.000 0.000 0.197 373 E C 1.013 177.526 176.600 -0.146 0.000 1.007 373 E CA 1.533 57.802 56.400 -0.218 0.000 0.849 373 E CB -1.072 28.618 29.700 -0.017 0.000 0.774 373 E HN 0.645 nan 8.360 nan 0.000 0.506 374 Y N 0.325 120.545 120.300 -0.132 0.000 2.471 374 Y HA 0.465 5.015 4.550 0.000 0.000 0.286 374 Y C 0.525 176.385 175.900 -0.067 0.000 1.188 374 Y CA -0.781 57.275 58.100 -0.073 0.000 1.286 374 Y CB 0.006 38.434 38.460 -0.053 0.000 1.072 374 Y HN -0.251 nan 8.280 nan 0.000 0.517 375 K N 0.826 121.078 120.400 -0.246 0.000 2.295 375 K HA 0.726 5.046 4.320 0.000 0.000 0.239 375 K C -0.239 176.298 176.600 -0.106 0.000 0.991 375 K CA -0.972 55.227 56.287 -0.147 0.000 0.845 375 K CB 1.674 34.028 32.500 -0.244 0.000 1.197 375 K HN 0.150 nan 8.250 nan 0.000 0.441 376 A N 1.086 123.870 122.820 -0.061 0.000 2.561 376 A HA 0.271 4.591 4.320 0.000 0.000 0.234 376 A C 0.204 177.753 177.584 -0.059 0.000 1.055 376 A CA 0.286 52.297 52.037 -0.044 0.000 0.756 376 A CB -0.188 18.794 19.000 -0.029 0.000 0.986 376 A HN 0.758 nan 8.150 nan 0.000 0.505 377 A N 1.182 123.977 122.820 -0.042 0.000 2.547 377 A HA 0.474 4.794 4.320 0.000 0.000 0.233 377 A C 1.805 179.365 177.584 -0.040 0.000 1.067 377 A CA 0.923 52.936 52.037 -0.040 0.000 0.763 377 A CB -0.650 18.335 19.000 -0.025 0.000 1.007 377 A HN 2.821 nan 8.150 nan 0.000 0.506 378 G N 0.227 109.004 108.800 -0.039 0.000 2.234 378 G HA2 -0.210 3.750 3.960 0.000 0.000 0.260 378 G HA3 -0.210 3.750 3.960 0.000 0.000 0.260 378 G C 0.729 175.602 174.900 -0.044 0.000 0.987 378 G CA 1.145 46.224 45.100 -0.035 0.000 0.625 378 G HN 2.276 nan 8.290 nan 0.000 0.532 379 S N -0.639 115.022 115.700 -0.065 0.000 2.579 379 S HA 0.596 5.066 4.470 0.000 0.000 0.275 379 S C 0.129 174.681 174.600 -0.081 0.000 1.345 379 S CA 0.112 58.265 58.200 -0.079 0.000 1.031 379 S CB 2.234 65.362 63.200 -0.120 0.000 0.892 379 S HN 1.144 nan 8.310 nan 0.000 0.529 380 V N 1.970 121.842 119.914 -0.069 0.000 2.495 380 V HA 0.687 4.807 4.120 0.000 0.000 0.298 380 V C 0.956 177.011 176.094 -0.066 0.000 1.031 380 V CA -0.409 61.858 62.300 -0.055 0.000 0.871 380 V CB 1.455 33.260 31.823 -0.029 0.000 0.988 380 V HN 1.173 nan 8.190 nan 0.000 0.432 381 G N 3.610 112.367 108.800 -0.072 0.000 2.476 381 G HA2 0.669 4.629 3.960 0.000 0.000 0.286 381 G HA3 0.669 4.629 3.960 0.000 0.000 0.286 381 G C -0.673 174.264 174.900 0.061 0.000 1.177 381 G CA -0.574 44.473 45.100 -0.090 0.000 0.870 381 G HN 0.640 nan 8.290 nan 0.000 0.528 382 I N 1.401 122.098 120.570 0.212 0.000 2.330 382 I HA 0.292 4.462 4.170 0.000 0.000 0.289 382 I C 1.114 177.327 176.117 0.161 0.000 1.001 382 I CA -0.694 60.697 61.300 0.151 0.000 1.193 382 I CB 1.483 39.561 38.000 0.130 0.000 1.345 382 I HN 0.543 nan 8.210 nan 0.000 0.461 383 G N 3.549 112.386 108.800 0.062 0.000 2.353 383 G HA2 0.362 4.322 3.960 0.000 0.000 0.239 383 G HA3 0.362 4.322 3.960 0.000 0.000 0.239 383 G C 0.940 175.842 174.900 0.004 0.000 1.295 383 G CA 0.633 45.742 45.100 0.015 0.000 0.884 383 G HN 1.117 nan 8.290 nan 0.000 0.537 384 G N 1.008 109.808 108.800 0.000 0.000 2.238 384 G HA2 -0.212 3.748 3.960 0.000 0.000 0.217 384 G HA3 -0.212 3.748 3.960 0.000 0.000 0.217 384 G C 0.497 175.387 174.900 -0.016 0.000 0.996 384 G CA 0.514 45.605 45.100 -0.014 0.000 0.632 384 G HN 0.859 nan 8.290 nan 0.000 0.503 385 K N 0.058 120.457 120.400 -0.002 0.000 2.106 385 K HA 0.839 5.159 4.320 0.000 0.000 0.246 385 K C 0.146 176.630 176.600 -0.192 0.000 0.987 385 K CA -0.473 55.733 56.287 -0.136 0.000 0.904 385 K CB 0.999 33.368 32.500 -0.219 0.000 1.071 385 K HN 0.166 nan 8.250 nan 0.000 0.453 386 L N 2.920 123.934 121.223 -0.349 0.000 2.341 386 L HA 0.477 4.817 4.340 0.000 0.000 0.278 386 L C -0.821 175.797 176.870 -0.420 0.000 1.005 386 L CA -0.824 53.884 54.840 -0.219 0.000 0.818 386 L CB 0.756 42.756 42.059 -0.097 0.000 1.259 386 L HN 0.589 nan 8.230 nan 0.000 0.418 387 Y N 0.557 120.921 120.300 0.106 0.000 2.833 387 Y HA 0.414 4.964 4.550 -0.000 0.000 0.323 387 Y C 1.279 177.251 175.900 0.121 0.000 1.220 387 Y CA -0.773 57.407 58.100 0.134 0.000 1.174 387 Y CB 0.732 39.236 38.460 0.074 0.000 1.404 387 Y HN 0.416 nan 8.280 nan 0.000 0.607 388 R N 0.101 120.817 120.500 0.359 0.000 2.070 388 R HA -0.179 4.161 4.340 0.000 0.000 0.232 388 R C 1.661 178.044 176.300 0.138 0.000 1.138 388 R CA 2.309 58.521 56.100 0.188 0.000 0.936 388 R CB -0.324 30.081 30.300 0.175 0.000 0.839 388 R HN 0.810 nan 8.270 nan 0.000 0.429 389 Q N -0.743 119.109 119.800 0.087 0.000 2.135 389 Q HA -0.111 4.229 4.340 0.000 0.000 0.204 389 Q C 2.109 178.002 176.000 -0.180 0.000 0.981 389 Q CA 1.431 57.089 55.803 -0.242 0.000 0.856 389 Q CB -0.241 28.121 28.738 -0.626 0.000 0.902 389 Q HN 0.577 nan 8.270 nan 0.000 0.425 390 G N 1.197 110.006 108.800 0.015 0.000 2.421 390 G HA2 -0.229 3.731 3.960 0.000 0.000 0.216 390 G HA3 -0.229 3.731 3.960 0.000 0.000 0.216 390 G C 1.424 176.377 174.900 0.088 0.000 1.171 390 G CA 0.540 45.667 45.100 0.045 0.000 0.775 390 G HN 0.171 nan 8.290 nan 0.000 0.543 391 L N 0.089 121.376 121.223 0.106 0.000 2.093 391 L HA -0.067 4.273 4.340 0.000 0.000 0.208 391 L C 2.998 179.956 176.870 0.146 0.000 1.085 391 L CA 0.398 55.307 54.840 0.116 0.000 0.755 391 L CB -0.306 41.805 42.059 0.087 0.000 0.904 391 L HN 0.106 nan 8.230 nan 0.000 0.435 392 V N -0.278 119.735 119.914 0.165 0.000 2.358 392 V HA -0.278 3.842 4.120 0.000 0.000 0.246 392 V C 2.539 178.805 176.094 0.286 0.000 1.047 392 V CA 1.596 64.031 62.300 0.224 0.000 1.035 392 V CB -0.460 31.540 31.823 0.296 0.000 0.658 392 V HN 0.404 nan 8.190 nan 0.000 0.452 393 K N -0.420 120.171 120.400 0.317 0.000 2.063 393 K HA -0.186 4.134 4.320 0.000 0.000 0.208 393 K C 2.210 179.006 176.600 0.326 0.000 1.048 393 K CA 1.826 58.326 56.287 0.355 0.000 0.928 393 K CB -0.178 32.464 32.500 0.236 0.000 0.713 393 K HN 0.375 nan 8.250 nan 0.000 0.442 394 M N 0.540 120.282 119.600 0.236 0.000 2.175 394 M HA -0.172 4.308 4.480 0.000 0.000 0.264 394 M C 1.876 178.342 176.300 0.276 0.000 1.063 394 M CA 1.228 56.680 55.300 0.254 0.000 1.119 394 M CB -0.323 32.426 32.600 0.248 0.000 1.377 394 M HN 0.179 nan 8.290 nan 0.000 0.415 395 N N 0.446 119.284 118.700 0.230 0.000 2.084 395 N HA -0.167 4.573 4.740 0.000 0.000 0.190 395 N C 1.519 177.127 175.510 0.163 0.000 1.030 395 N CA 1.513 54.675 53.050 0.188 0.000 0.849 395 N CB -0.202 38.378 38.487 0.155 0.000 1.012 395 N HN 0.503 nan 8.380 nan 0.000 0.423 396 E N -0.064 120.254 120.200 0.197 0.000 2.047 396 E HA -0.158 4.192 4.350 0.000 0.000 0.191 396 E C 1.769 178.401 176.600 0.053 0.000 0.987 396 E CA 0.669 57.166 56.400 0.162 0.000 0.799 396 E CB -0.250 29.617 29.700 0.278 0.000 0.752 396 E HN 0.251 nan 8.360 nan 0.000 0.449 397 F N 1.582 121.479 119.950 -0.089 0.000 2.095 397 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 397 F C 2.187 177.863 175.800 -0.206 0.000 1.104 397 F CA 1.115 58.921 58.000 -0.324 0.000 1.232 397 F CB -0.374 38.500 39.000 -0.211 0.000 0.987 397 F HN -0.211 nan 8.300 nan 0.000 0.475 398 V N -0.176 119.708 119.914 -0.049 0.000 2.295 398 V HA -0.342 3.778 4.120 0.000 0.000 0.246 398 V C 2.323 178.332 176.094 -0.142 0.000 1.049 398 V CA 2.476 64.718 62.300 -0.096 0.000 1.024 398 V CB -1.132 30.772 31.823 0.135 0.000 0.648 398 V HN 0.434 nan 8.190 nan 0.000 0.447 399 T N 0.308 114.820 114.554 -0.069 0.000 2.759 399 T HA -0.147 4.203 4.350 0.000 0.000 0.269 399 T C 1.840 176.462 174.700 -0.130 0.000 1.042 399 T CA 1.498 63.563 62.100 -0.059 0.000 1.140 399 T CB -0.263 68.605 68.868 -0.001 0.000 0.864 399 T HN 0.307 nan 8.240 nan 0.000 0.455 400 L N 0.114 121.203 121.223 -0.223 0.000 2.072 400 L HA -0.049 4.291 4.340 0.000 0.000 0.205 400 L C 2.866 179.547 176.870 -0.315 0.000 1.079 400 L CA 0.748 55.429 54.840 -0.264 0.000 0.752 400 L CB -0.581 41.267 42.059 -0.351 0.000 0.906 400 L HN 0.356 nan 8.230 nan 0.000 0.436 401 C N -0.191 118.832 119.300 -0.462 0.000 2.429 401 C HA -0.158 4.302 4.460 0.000 0.000 0.277 401 C C 3.144 177.988 174.990 -0.243 0.000 1.262 401 C CA 0.767 59.534 59.018 -0.418 0.000 1.733 401 C CB -0.966 26.448 27.740 -0.543 0.000 2.010 401 C HN 0.617 nan 8.230 nan 0.000 0.483 402 A N 0.467 123.173 122.820 -0.189 0.000 1.883 402 A HA -0.243 4.077 4.320 0.000 0.000 0.217 402 A C 2.305 179.829 177.584 -0.101 0.000 1.186 402 A CA 1.899 53.868 52.037 -0.112 0.000 0.624 402 A CB -0.708 18.251 19.000 -0.068 0.000 0.822 402 A HN 0.651 nan 8.150 nan 0.000 0.444 403 R N -0.396 120.042 120.500 -0.104 0.000 2.091 403 R HA -0.171 4.169 4.340 0.000 0.000 0.238 403 R C 0.550 176.786 176.300 -0.108 0.000 1.136 403 R CA 1.883 57.930 56.100 -0.088 0.000 0.959 403 R CB -0.340 29.911 30.300 -0.081 0.000 0.856 403 R HN 0.398 nan 8.270 nan 0.000 0.437 404 D N 0.473 120.793 120.400 -0.133 0.000 2.349 404 D HA -0.010 4.630 4.640 0.000 0.000 0.224 404 D C 0.037 176.246 176.300 -0.151 0.000 1.029 404 D CA 0.243 54.164 54.000 -0.133 0.000 0.879 404 D CB 0.204 40.931 40.800 -0.122 0.000 0.906 404 D HN 0.130 nan 8.370 nan 0.000 0.528 405 R N -0.261 120.144 120.500 -0.158 0.000 3.525 405 R HA -0.184 4.156 4.340 0.000 0.000 0.276 405 R C -0.484 175.675 176.300 -0.234 0.000 1.116 405 R CA 0.310 56.294 56.100 -0.193 0.000 0.745 405 R CB -2.835 27.335 30.300 -0.218 0.000 1.185 405 R HN 0.314 nan 8.270 nan 0.000 0.454 406 L N 1.082 122.191 121.223 -0.190 0.000 2.307 406 L HA 0.452 4.792 4.340 0.000 0.000 0.282 406 L C -1.765 175.008 176.870 -0.161 0.000 1.051 406 L CA -2.131 52.612 54.840 -0.162 0.000 0.804 406 L CB 1.136 43.127 42.059 -0.112 0.000 1.197 406 L HN -0.243 nan 8.230 nan 0.000 0.431 407 P HA 0.313 nan 4.420 nan 0.000 0.274 407 P C -0.870 176.481 177.300 0.085 0.000 1.246 407 P CA -0.134 62.955 63.100 -0.018 0.000 0.795 407 P CB 0.835 32.497 31.700 -0.064 0.000 1.006 408 I N 0.321 120.988 120.570 0.162 0.000 2.545 408 I HA 0.320 4.490 4.170 0.000 0.000 0.292 408 I C -0.807 175.332 176.117 0.036 0.000 1.040 408 I CA -1.069 60.237 61.300 0.011 0.000 1.068 408 I CB 2.291 40.192 38.000 -0.164 0.000 1.251 408 I HN -0.086 nan 8.210 nan 0.000 0.424 409 V N 4.713 124.606 119.914 -0.036 0.000 2.357 409 V HA 0.315 4.435 4.120 0.000 0.000 0.284 409 V C -1.136 174.875 176.094 -0.138 0.000 1.018 409 V CA -0.473 61.830 62.300 0.006 0.000 0.841 409 V CB 1.111 33.096 31.823 0.269 0.000 0.991 409 V HN 0.553 nan 8.190 nan 0.000 0.437 410 W N 5.313 126.522 121.300 -0.151 0.000 2.391 410 W HA 0.702 5.362 4.660 -0.000 0.000 0.311 410 W C -0.183 176.230 176.519 -0.177 0.000 1.087 410 W CA -0.562 56.706 57.345 -0.129 0.000 1.209 410 W CB 1.059 30.435 29.460 -0.140 0.000 1.273 410 W HN 0.346 nan 8.180 nan 0.000 0.482 411 I N 3.842 124.470 120.570 0.096 0.000 2.390 411 I HA 0.201 4.371 4.170 0.000 0.000 0.283 411 I C -0.084 176.065 176.117 0.054 0.000 1.016 411 I CA -0.846 60.470 61.300 0.026 0.000 1.151 411 I CB 0.736 38.756 38.000 0.033 0.000 1.293 411 I HN 0.315 nan 8.210 nan 0.000 0.458 412 Q N 4.780 124.602 119.800 0.036 0.000 2.235 412 Q HA 0.367 4.707 4.340 0.000 0.000 0.250 412 Q C -0.856 175.165 176.000 0.035 0.000 0.909 412 Q CA -0.357 55.474 55.803 0.047 0.000 0.910 412 Q CB 2.040 30.812 28.738 0.057 0.000 1.223 412 Q HN 0.397 nan 8.270 nan 0.000 0.432 413 D N 1.480 121.904 120.400 0.040 0.000 2.668 413 D HA 0.110 4.750 4.640 0.000 0.000 0.234 413 D C -1.709 174.604 176.300 0.022 0.000 1.349 413 D CA 0.047 54.075 54.000 0.048 0.000 0.889 413 D CB 0.817 41.690 40.800 0.122 0.000 1.520 413 D HN 0.422 nan 8.370 nan 0.000 0.521 414 T N -0.139 114.417 114.554 0.004 0.000 2.900 414 T HA 0.562 4.912 4.350 0.000 0.000 0.295 414 T C 0.843 175.527 174.700 -0.027 0.000 1.044 414 T CA -0.222 61.870 62.100 -0.012 0.000 0.995 414 T CB 1.404 70.264 68.868 -0.013 0.000 1.072 414 T HN 0.133 nan 8.240 nan 0.000 0.473 415 T N 0.067 114.601 114.554 -0.033 0.000 3.134 415 T HA 0.605 4.955 4.350 0.000 0.000 0.260 415 T C 1.043 175.709 174.700 -0.058 0.000 1.027 415 T CA 0.309 62.388 62.100 -0.036 0.000 0.913 415 T CB -0.336 68.520 68.868 -0.020 0.000 1.046 415 T HN 1.465 nan 8.240 nan 0.000 0.553 416 G N 1.318 110.073 108.800 -0.076 0.000 2.498 416 G HA2 0.037 3.997 3.960 0.000 0.000 0.651 416 G HA3 0.037 3.997 3.960 0.000 0.000 0.651 416 G C -0.988 173.831 174.900 -0.136 0.000 1.284 416 G CA -0.836 44.205 45.100 -0.100 0.000 0.950 416 G HN 0.479 nan 8.290 nan 0.000 0.511 417 I N 0.659 121.147 120.570 -0.136 0.000 2.440 417 I HA 0.276 4.446 4.170 0.000 0.000 0.294 417 I C 0.581 176.588 176.117 -0.184 0.000 0.995 417 I CA -0.506 60.691 61.300 -0.172 0.000 1.306 417 I CB 1.346 39.277 38.000 -0.115 0.000 1.407 417 I HN 0.621 nan 8.210 nan 0.000 0.501 418 D N 4.501 124.735 120.400 -0.278 0.000 2.472 418 D HA 0.202 4.842 4.640 0.000 0.000 0.237 418 D C -0.464 175.803 176.300 -0.054 0.000 1.141 418 D CA 0.107 54.004 54.000 -0.172 0.000 0.875 418 D CB 0.883 41.604 40.800 -0.132 0.000 1.192 418 D HN 0.289 nan 8.370 nan 0.000 0.450 419 V N 0.018 119.924 119.914 -0.012 0.000 3.166 419 V HA 1.041 5.161 4.120 0.000 0.000 0.317 419 V C 0.442 176.550 176.094 0.023 0.000 1.136 419 V CA -0.177 62.119 62.300 -0.005 0.000 1.035 419 V CB 1.029 32.843 31.823 -0.014 0.000 1.110 419 V HN 0.988 nan 8.190 nan 0.000 0.450 420 G N 0.904 109.711 108.800 0.010 0.000 2.570 420 G HA2 -0.126 3.834 3.960 0.000 0.000 0.686 420 G HA3 -0.126 3.834 3.960 0.000 0.000 0.686 420 G C -0.198 174.706 174.900 0.007 0.000 1.257 420 G CA 0.006 45.117 45.100 0.019 0.000 0.846 420 G HN 0.918 nan 8.290 nan 0.000 0.627 421 N N -0.060 118.643 118.700 0.006 0.000 2.381 421 N HA -0.058 4.682 4.740 0.000 0.000 0.182 421 N C 1.625 177.126 175.510 -0.015 0.000 1.025 421 N CA 1.335 54.379 53.050 -0.009 0.000 0.888 421 N CB -0.058 38.426 38.487 -0.005 0.000 0.965 421 N HN 0.572 nan 8.380 nan 0.000 0.438 422 D N 0.658 121.073 120.400 0.025 0.000 2.117 422 D HA -0.046 4.594 4.640 0.000 0.000 0.198 422 D C 1.783 178.013 176.300 -0.117 0.000 0.982 422 D CA 0.949 54.980 54.000 0.052 0.000 0.828 422 D CB -0.121 40.804 40.800 0.209 0.000 0.967 422 D HN 0.205 nan 8.370 nan 0.000 0.464 423 A N 1.392 124.170 122.820 -0.071 0.000 1.898 423 A HA -0.164 4.156 4.320 0.000 0.000 0.216 423 A C 2.059 179.493 177.584 -0.250 0.000 1.181 423 A CA 1.189 53.076 52.037 -0.248 0.000 0.620 423 A CB -0.271 18.719 19.000 -0.016 0.000 0.819 423 A HN 0.018 nan 8.150 nan 0.000 0.442 424 E N 0.451 120.572 120.200 -0.131 0.000 2.058 424 E HA -0.181 4.169 4.350 0.000 0.000 0.194 424 E C 1.879 178.406 176.600 -0.123 0.000 0.997 424 E CA 1.376 57.713 56.400 -0.104 0.000 0.801 424 E CB -0.355 29.309 29.700 -0.060 0.000 0.746 424 E HN 0.651 nan 8.360 nan 0.000 0.450 425 K N 0.341 120.664 120.400 -0.128 0.000 2.283 425 K HA 0.013 4.333 4.320 0.000 0.000 0.202 425 K C 1.769 178.271 176.600 -0.164 0.000 1.048 425 K CA 0.847 57.067 56.287 -0.113 0.000 0.948 425 K CB 0.033 32.488 32.500 -0.075 0.000 0.742 425 K HN 0.001 nan 8.250 nan 0.000 0.458 426 A N 1.211 123.844 122.820 -0.311 0.000 2.259 426 A HA -0.045 4.275 4.320 0.000 0.000 0.208 426 A C -0.121 177.327 177.584 -0.227 0.000 1.201 426 A CA 0.331 52.138 52.037 -0.383 0.000 0.824 426 A CB -0.367 18.040 19.000 -0.989 0.000 0.838 426 A HN 0.412 nan 8.150 nan 0.000 0.485 427 E N -1.411 118.692 120.200 -0.162 0.000 2.868 427 E HA -0.232 4.118 4.350 0.000 0.000 0.278 427 E C 0.649 177.200 176.600 -0.082 0.000 1.009 427 E CA 0.627 56.970 56.400 -0.095 0.000 0.856 427 E CB -2.388 27.277 29.700 -0.058 0.000 1.428 427 E HN 0.674 nan 8.360 nan 0.000 0.423 428 L N -0.270 120.886 121.223 -0.111 0.000 2.127 428 L HA -0.185 4.155 4.340 0.000 0.000 0.211 428 L C 2.465 179.308 176.870 -0.045 0.000 1.089 428 L CA 1.449 56.246 54.840 -0.073 0.000 0.757 428 L CB -0.450 41.556 42.059 -0.088 0.000 0.899 428 L HN 0.267 nan 8.230 nan 0.000 0.434 429 L N 0.371 121.566 121.223 -0.046 0.000 2.056 429 L HA -0.034 4.306 4.340 0.000 0.000 0.207 429 L C 2.358 179.217 176.870 -0.018 0.000 1.078 429 L CA 2.068 56.891 54.840 -0.028 0.000 0.749 429 L CB -0.968 41.075 42.059 -0.028 0.000 0.901 429 L HN 0.090 nan 8.230 nan 0.000 0.433 430 G N -0.702 108.083 108.800 -0.024 0.000 2.403 430 G HA2 -0.176 3.784 3.960 0.000 0.000 0.216 430 G HA3 -0.176 3.784 3.960 0.000 0.000 0.216 430 G C 1.592 176.488 174.900 -0.007 0.000 1.154 430 G CA 0.855 45.944 45.100 -0.019 0.000 0.784 430 G HN 0.412 nan 8.290 nan 0.000 0.538 431 L N 0.767 121.988 121.223 -0.002 0.000 2.141 431 L HA 0.062 4.402 4.340 0.000 0.000 0.209 431 L C 3.117 180.006 176.870 0.032 0.000 1.094 431 L CA 0.812 55.664 54.840 0.021 0.000 0.763 431 L CB -0.478 41.598 42.059 0.028 0.000 0.908 431 L HN 0.320 nan 8.230 nan 0.000 0.437 432 G N -0.675 108.136 108.800 0.017 0.000 2.421 432 G HA2 -0.331 3.629 3.960 0.000 0.000 0.216 432 G HA3 -0.331 3.629 3.960 0.000 0.000 0.216 432 G C 1.521 176.441 174.900 0.032 0.000 1.171 432 G CA 0.650 45.763 45.100 0.021 0.000 0.775 432 G HN 0.269 nan 8.290 nan 0.000 0.543 433 Q N 0.811 120.628 119.800 0.029 0.000 2.172 433 Q HA 0.040 4.380 4.340 0.000 0.000 0.200 433 Q C 2.648 178.689 176.000 0.068 0.000 0.964 433 Q CA 1.599 57.427 55.803 0.041 0.000 0.855 433 Q CB -0.373 28.382 28.738 0.029 0.000 0.918 433 Q HN 0.366 nan 8.270 nan 0.000 0.444 434 S N 0.180 115.911 115.700 0.050 0.000 2.368 434 S HA -0.127 4.343 4.470 0.000 0.000 0.225 434 S C 1.587 176.261 174.600 0.124 0.000 1.030 434 S CA 1.134 59.371 58.200 0.061 0.000 0.999 434 S CB -0.418 62.798 63.200 0.027 0.000 0.844 434 S HN 0.440 nan 8.310 nan 0.000 0.459 435 L N 1.897 123.180 121.223 0.101 0.000 2.083 435 L HA 0.046 4.386 4.340 0.000 0.000 0.209 435 L C 1.870 178.791 176.870 0.085 0.000 1.083 435 L CA 1.491 56.400 54.840 0.115 0.000 0.752 435 L CB -0.553 41.571 42.059 0.109 0.000 0.899 435 L HN 0.292 nan 8.230 nan 0.000 0.433 436 I N -1.717 118.885 120.570 0.054 0.000 2.226 436 I HA -0.343 3.827 4.170 0.000 0.000 0.245 436 I C 2.344 178.479 176.117 0.029 0.000 1.100 436 I CA 1.592 62.895 61.300 0.004 0.000 1.374 436 I CB -0.370 37.628 38.000 -0.004 0.000 1.057 436 I HN 0.346 nan 8.210 nan 0.000 0.413 437 Y N 1.349 121.631 120.300 -0.030 0.000 2.200 437 Y HA -0.266 4.284 4.550 0.000 0.000 0.290 437 Y C 2.824 178.708 175.900 -0.028 0.000 1.137 437 Y CA 1.915 59.996 58.100 -0.031 0.000 1.163 437 Y CB -0.075 38.375 38.460 -0.017 0.000 0.988 437 Y HN 0.035 nan 8.280 nan 0.000 0.518 438 S N 0.598 116.430 115.700 0.220 0.000 2.370 438 S HA -0.216 4.254 4.470 0.000 0.000 0.226 438 S C 1.967 176.581 174.600 0.023 0.000 1.033 438 S CA 1.794 60.077 58.200 0.140 0.000 1.011 438 S CB -0.506 62.787 63.200 0.154 0.000 0.852 438 S HN 0.476 nan 8.310 nan 0.000 0.457 439 I N 1.158 121.739 120.570 0.019 0.000 2.179 439 I HA -0.199 3.971 4.170 0.000 0.000 0.242 439 I C 2.735 178.779 176.117 -0.122 0.000 1.088 439 I CA 1.222 62.514 61.300 -0.013 0.000 1.357 439 I CB -0.331 37.643 38.000 -0.044 0.000 1.051 439 I HN 0.250 nan 8.210 nan 0.000 0.409 440 Q N 0.224 119.914 119.800 -0.184 0.000 2.170 440 Q HA -0.196 4.144 4.340 0.000 0.000 0.203 440 Q C 2.036 177.809 176.000 -0.378 0.000 0.976 440 Q CA 1.924 57.569 55.803 -0.264 0.000 0.858 440 Q CB -0.313 28.258 28.738 -0.278 0.000 0.907 440 Q HN 0.293 nan 8.270 nan 0.000 0.433 441 T N -1.110 113.203 114.554 -0.402 0.000 3.086 441 T HA 0.086 4.436 4.350 0.000 0.000 0.250 441 T C 1.400 175.861 174.700 -0.398 0.000 1.074 441 T CA 0.671 62.511 62.100 -0.434 0.000 0.988 441 T CB -0.219 68.444 68.868 -0.342 0.000 0.988 441 T HN 0.521 nan 8.240 nan 0.000 0.530 442 S N 0.620 116.139 115.700 -0.301 0.000 2.383 442 S HA -0.129 4.341 4.470 0.000 0.000 0.227 442 S C 0.908 175.446 174.600 -0.104 0.000 1.026 442 S CA 0.946 59.051 58.200 -0.157 0.000 0.981 442 S CB -0.493 62.660 63.200 -0.077 0.000 0.818 442 S HN 0.708 nan 8.310 nan 0.000 0.472 443 H N 1.176 120.211 119.070 -0.059 0.000 2.899 443 H HA -0.119 4.437 4.556 -0.000 0.000 0.282 443 H C -0.144 175.139 175.328 -0.075 0.000 1.198 443 H CA 1.302 57.313 56.048 -0.062 0.000 1.140 443 H CB -2.541 27.178 29.762 -0.071 0.000 1.317 443 H HN 0.765 nan 8.280 nan 0.000 0.375 444 I N -1.450 119.118 120.570 -0.003 0.000 2.608 444 I HA 0.562 4.732 4.170 0.000 0.000 0.295 444 I C -2.474 173.651 176.117 0.014 0.000 1.049 444 I CA -2.402 58.878 61.300 -0.033 0.000 1.063 444 I CB 2.762 40.723 38.000 -0.064 0.000 1.248 444 I HN -0.301 nan 8.210 nan 0.000 0.424 445 P HA 0.192 nan 4.420 nan 0.000 0.271 445 P C -1.329 176.161 177.300 0.316 0.000 1.218 445 P CA 0.064 63.239 63.100 0.126 0.000 0.780 445 P CB 1.040 32.753 31.700 0.022 0.000 0.901 446 Q N 0.841 120.845 119.800 0.341 0.000 2.421 446 Q HA 0.602 4.942 4.340 0.000 0.000 0.280 446 Q C -1.483 174.445 176.000 -0.121 0.000 1.085 446 Q CA -0.617 55.344 55.803 0.263 0.000 0.807 446 Q CB 2.343 31.253 28.738 0.288 0.000 1.405 446 Q HN 0.383 nan 8.270 nan 0.000 0.419 447 F N 1.514 121.052 119.950 -0.688 0.000 2.529 447 F HA 0.449 4.976 4.527 0.000 0.000 0.320 447 F C -1.012 174.560 175.800 -0.379 0.000 1.118 447 F CA -0.917 56.472 58.000 -1.019 0.000 0.915 447 F CB 1.636 39.481 39.000 -1.926 0.000 1.161 447 F HN 0.416 nan 8.300 nan 0.000 0.445 448 E N 7.119 126.954 120.200 -0.608 0.000 2.210 448 E HA 0.413 4.763 4.350 0.000 0.000 0.266 448 E C -1.540 174.650 176.600 -0.683 0.000 0.883 448 E CA -0.498 55.614 56.400 -0.479 0.000 0.761 448 E CB 1.623 31.149 29.700 -0.290 0.000 1.156 448 E HN 0.732 nan 8.360 nan 0.000 0.412 449 I N 3.379 123.633 120.570 -0.527 0.000 2.382 449 I HA 0.162 4.332 4.170 0.000 0.000 0.285 449 I C -0.021 175.985 176.117 -0.185 0.000 1.007 449 I CA -0.565 60.483 61.300 -0.419 0.000 1.142 449 I CB 1.864 39.616 38.000 -0.415 0.000 1.289 449 I HN 0.275 nan 8.210 nan 0.000 0.453 450 T N 7.028 121.503 114.554 -0.132 0.000 3.176 450 T HA 0.083 4.433 4.350 0.000 0.000 0.301 450 T C 1.125 175.776 174.700 -0.081 0.000 1.115 450 T CA -0.284 61.775 62.100 -0.068 0.000 1.027 450 T CB 0.279 69.115 68.868 -0.053 0.000 1.063 450 T HN 0.397 nan 8.240 nan 0.000 0.669 451 L N 3.710 124.893 121.223 -0.066 0.000 2.013 451 L HA -0.085 4.255 4.340 0.000 0.000 0.212 451 L C 1.772 178.601 176.870 -0.068 0.000 1.073 451 L CA 2.004 56.802 54.840 -0.070 0.000 0.753 451 L CB -0.092 41.946 42.059 -0.034 0.000 0.890 451 L HN 0.443 nan 8.230 nan 0.000 0.432 452 R N -2.055 118.425 120.500 -0.034 0.000 3.296 452 R HA 0.276 4.616 4.340 0.000 0.000 0.114 452 R C -0.135 176.144 176.300 -0.036 0.000 1.534 452 R CA -0.695 55.386 56.100 -0.030 0.000 1.220 452 R CB 0.009 30.317 30.300 0.013 0.000 1.141 452 R HN -0.100 nan 8.270 nan 0.000 0.426 453 K N 1.262 121.654 120.400 -0.013 0.000 2.276 453 K HA 0.311 4.631 4.320 0.000 0.000 0.283 453 K C -0.408 176.150 176.600 -0.071 0.000 1.044 453 K CA -0.051 56.212 56.287 -0.039 0.000 0.944 453 K CB 1.431 33.923 32.500 -0.013 0.000 1.012 453 K HN 0.461 nan 8.250 nan 0.000 0.472 454 G N 2.192 110.900 108.800 -0.154 0.000 2.938 454 G HA2 0.356 4.316 3.960 0.000 0.000 0.308 454 G HA3 0.356 4.316 3.960 0.000 0.000 0.308 454 G C -0.547 174.167 174.900 -0.311 0.000 1.422 454 G CA -0.354 44.576 45.100 -0.283 0.000 1.071 454 G HN 0.561 nan 8.290 nan 0.000 0.530 455 T N -0.961 113.491 114.554 -0.169 0.000 2.864 455 T HA 0.890 5.240 4.350 0.000 0.000 0.299 455 T C 0.510 175.121 174.700 -0.148 0.000 1.166 455 T CA 0.422 62.434 62.100 -0.146 0.000 1.007 455 T CB 1.695 70.514 68.868 -0.081 0.000 1.219 455 T HN 2.381 nan 8.240 nan 0.000 0.506 456 A N 0.729 123.447 122.820 -0.170 0.000 6.343 456 A HA 0.161 4.481 4.320 0.000 0.000 0.266 456 A C 1.763 179.085 177.584 -0.437 0.000 2.062 456 A CA 1.054 52.958 52.037 -0.221 0.000 0.719 456 A CB -1.815 17.101 19.000 -0.140 0.000 1.093 456 A HN 2.473 nan 8.150 nan 0.000 0.380 457 A N -1.858 120.724 122.820 -0.396 0.000 2.015 457 A HA 0.297 4.617 4.320 0.000 0.000 0.219 457 A C 2.650 180.046 177.584 -0.315 0.000 1.163 457 A CA 2.509 54.254 52.037 -0.487 0.000 0.646 457 A CB -1.262 17.649 19.000 -0.148 0.000 0.806 457 A HN 2.542 nan 8.150 nan 0.000 0.448 458 A N -0.492 122.209 122.820 -0.197 0.000 1.948 458 A HA -0.269 4.051 4.320 0.000 0.000 0.220 458 A C 1.985 179.513 177.584 -0.093 0.000 1.177 458 A CA 2.262 54.233 52.037 -0.111 0.000 0.636 458 A CB -0.890 18.060 19.000 -0.083 0.000 0.815 458 A HN 0.770 nan 8.150 nan 0.000 0.449 459 H N -1.501 117.423 119.070 -0.244 0.000 2.422 459 H HA -0.165 4.391 4.556 -0.000 0.000 0.298 459 H C 1.635 176.919 175.328 -0.073 0.000 1.098 459 H CA 2.110 58.052 56.048 -0.178 0.000 1.315 459 H CB -0.385 29.257 29.762 -0.201 0.000 1.382 459 H HN 0.709 nan 8.280 nan 0.000 0.523 460 Y N -0.741 119.423 120.300 -0.226 0.000 2.153 460 Y HA -0.153 4.397 4.550 -0.000 0.000 0.289 460 Y C 2.823 178.532 175.900 -0.318 0.000 1.127 460 Y CA 0.762 58.681 58.100 -0.302 0.000 1.131 460 Y CB -0.166 38.194 38.460 -0.168 0.000 0.995 460 Y HN 0.232 nan 8.280 nan 0.000 0.505 461 V N -0.651 119.224 119.914 -0.065 0.000 2.667 461 V HA -0.132 3.988 4.120 0.000 0.000 0.252 461 V C 1.031 176.935 176.094 -0.317 0.000 1.065 461 V CA 1.136 63.352 62.300 -0.140 0.000 1.083 461 V CB -0.867 30.929 31.823 -0.045 0.000 0.692 461 V HN 0.300 nan 8.190 nan 0.000 0.468 462 L N 2.671 123.698 121.223 -0.328 0.000 2.672 462 L HA 0.492 4.832 4.340 0.000 0.000 0.238 462 L C 1.489 177.697 176.870 -1.102 0.000 1.392 462 L CA 0.358 54.944 54.840 -0.425 0.000 1.238 462 L CB -0.850 41.186 42.059 -0.039 0.000 1.548 462 L HN 0.587 nan 8.230 nan 0.000 0.423 463 G N 0.712 108.372 108.800 -1.900 0.000 2.305 463 G HA2 -0.245 3.715 3.960 0.000 0.000 0.287 463 G HA3 -0.245 3.715 3.960 0.000 0.000 0.287 463 G C 0.663 175.005 174.900 -0.930 0.000 1.036 463 G CA 0.075 43.979 45.100 -1.993 0.000 0.887 463 G HN 0.677 nan 8.290 nan 0.000 0.505 464 G N -0.550 107.855 108.800 -0.657 0.000 2.614 464 G HA2 0.437 4.397 3.960 0.000 0.000 0.239 464 G HA3 0.437 4.397 3.960 0.000 0.000 0.239 464 G C -0.417 174.245 174.900 -0.396 0.000 1.240 464 G CA -0.259 44.518 45.100 -0.538 0.000 0.842 464 G HN 0.159 nan 8.290 nan 0.000 0.584 465 P HA -0.093 nan 4.420 nan 0.000 0.223 465 P C 1.486 178.680 177.300 -0.177 0.000 1.144 465 P CA 0.840 63.830 63.100 -0.184 0.000 0.783 465 P CB 0.222 31.865 31.700 -0.094 0.000 0.771 466 Q N -0.704 118.960 119.800 -0.227 0.000 2.439 466 Q HA 0.023 4.363 4.340 0.000 0.000 0.211 466 Q C 1.423 177.298 176.000 -0.209 0.000 0.978 466 Q CA 1.017 56.680 55.803 -0.234 0.000 0.897 466 Q CB -1.053 27.474 28.738 -0.353 0.000 0.956 466 Q HN 0.172 nan 8.270 nan 0.000 0.483 467 G N 0.160 108.836 108.800 -0.207 0.000 2.977 467 G HA2 0.085 4.045 3.960 0.000 0.000 0.306 467 G HA3 0.085 4.045 3.960 0.000 0.000 0.306 467 G C -0.082 174.739 174.900 -0.132 0.000 0.885 467 G CA -0.565 44.429 45.100 -0.177 0.000 1.649 467 G HN 0.304 nan 8.290 nan 0.000 0.514 468 N N 1.083 119.715 118.700 -0.113 0.000 2.272 468 N HA -0.144 4.596 4.740 0.000 0.000 0.185 468 N C 1.103 176.581 175.510 -0.055 0.000 1.014 468 N CA 0.917 53.919 53.050 -0.079 0.000 0.870 468 N CB 0.266 38.708 38.487 -0.074 0.000 0.975 468 N HN 0.352 nan 8.380 nan 0.000 0.433 469 D N -0.171 120.191 120.400 -0.063 0.000 2.137 469 D HA -0.074 4.566 4.640 0.000 0.000 0.202 469 D C 2.238 178.525 176.300 -0.022 0.000 0.970 469 D CA 1.412 55.388 54.000 -0.040 0.000 0.837 469 D CB -0.282 40.483 40.800 -0.058 0.000 0.981 469 D HN 0.408 nan 8.370 nan 0.000 0.475 470 T N -1.788 112.740 114.554 -0.043 0.000 3.031 470 T HA -0.041 4.309 4.350 0.000 0.000 0.254 470 T C 0.947 175.656 174.700 0.015 0.000 1.060 470 T CA -0.176 61.917 62.100 -0.011 0.000 1.135 470 T CB 0.033 68.882 68.868 -0.031 0.000 0.896 470 T HN -0.077 nan 8.240 nan 0.000 0.472 471 N N 1.409 120.089 118.700 -0.032 0.000 2.401 471 N HA 0.313 5.053 4.740 0.000 0.000 0.255 471 N C 1.262 176.777 175.510 0.010 0.000 1.110 471 N CA 0.283 53.307 53.050 -0.043 0.000 0.949 471 N CB 1.351 39.768 38.487 -0.116 0.000 1.110 471 N HN 0.329 nan 8.380 nan 0.000 0.490 472 A N 4.189 127.037 122.820 0.048 0.000 1.969 472 A HA 0.040 4.360 4.320 0.000 0.000 0.218 472 A C 0.273 178.032 177.584 0.292 0.000 1.169 472 A CA 1.247 53.385 52.037 0.169 0.000 0.635 472 A CB -0.396 18.774 19.000 0.284 0.000 0.810 472 A HN 0.831 nan 8.150 nan 0.000 0.445 473 F N -4.312 115.680 119.950 0.071 0.000 2.985 473 F HA 0.488 5.015 4.527 0.000 0.000 0.332 473 F C -0.835 175.047 175.800 0.137 0.000 1.126 473 F CA -0.889 57.143 58.000 0.053 0.000 0.884 473 F CB 0.139 39.154 39.000 0.024 0.000 1.361 473 F HN 0.198 nan 8.300 nan 0.000 0.450 474 S N 1.308 117.162 115.700 0.256 0.000 2.595 474 S HA 0.937 5.407 4.470 0.000 0.000 0.281 474 S C -0.987 173.721 174.600 0.181 0.000 1.117 474 S CA -0.327 57.927 58.200 0.090 0.000 0.873 474 S CB 2.117 65.299 63.200 -0.031 0.000 1.108 474 S HN 1.497 nan 8.310 nan 0.000 0.477 475 I N -1.628 118.959 120.570 0.028 0.000 3.239 475 I HA 1.013 5.183 4.170 0.000 0.000 0.314 475 I C 0.031 176.084 176.117 -0.107 0.000 1.126 475 I CA -1.183 60.099 61.300 -0.029 0.000 0.973 475 I CB 1.675 39.628 38.000 -0.079 0.000 1.252 475 I HN 0.899 nan 8.210 nan 0.000 0.463 476 G N 0.303 109.034 108.800 -0.115 0.000 3.022 476 G HA2 0.765 4.725 3.960 0.000 0.000 0.284 476 G HA3 0.765 4.725 3.960 0.000 0.000 0.284 476 G C -0.995 173.833 174.900 -0.121 0.000 1.375 476 G CA -0.138 44.896 45.100 -0.111 0.000 0.902 476 G HN 0.965 nan 8.290 nan 0.000 0.538 477 T N -4.271 110.219 114.554 -0.107 0.000 2.716 477 T HA 0.607 4.957 4.350 0.000 0.000 0.286 477 T C 1.436 176.086 174.700 -0.082 0.000 1.052 477 T CA 0.579 62.618 62.100 -0.102 0.000 1.024 477 T CB 1.287 70.086 68.868 -0.115 0.000 1.349 477 T HN 1.333 nan 8.240 nan 0.000 0.525 478 A N -0.045 122.738 122.820 -0.063 0.000 2.070 478 A HA 0.383 4.703 4.320 0.000 0.000 0.220 478 A C 2.240 179.799 177.584 -0.042 0.000 1.159 478 A CA 1.519 53.532 52.037 -0.039 0.000 0.656 478 A CB -1.300 17.704 19.000 0.007 0.000 0.800 478 A HN 1.302 nan 8.150 nan 0.000 0.453 479 A N -0.977 121.807 122.820 -0.060 0.000 2.251 479 A HA 0.308 4.628 4.320 0.000 0.000 0.209 479 A C 1.037 178.586 177.584 -0.060 0.000 1.187 479 A CA 0.456 52.458 52.037 -0.059 0.000 0.823 479 A CB -0.521 18.425 19.000 -0.090 0.000 0.846 479 A HN 0.289 nan 8.150 nan 0.000 0.486 480 T N 1.661 116.172 114.554 -0.072 0.000 2.930 480 T HA 0.327 4.677 4.350 0.000 0.000 0.306 480 T C -0.289 174.361 174.700 -0.083 0.000 1.045 480 T CA 0.437 62.490 62.100 -0.079 0.000 1.134 480 T CB 0.463 69.278 68.868 -0.089 0.000 0.961 480 T HN 0.466 nan 8.240 nan 0.000 0.545 481 E N 2.153 122.300 120.200 -0.087 0.000 2.294 481 E HA 0.403 4.753 4.350 0.000 0.000 0.272 481 E C -1.055 175.471 176.600 -0.123 0.000 0.896 481 E CA -0.403 55.941 56.400 -0.093 0.000 0.802 481 E CB 1.844 31.516 29.700 -0.047 0.000 1.267 481 E HN 0.467 nan 8.360 nan 0.000 0.406 482 I N 2.362 122.842 120.570 -0.150 0.000 2.466 482 I HA 0.769 4.939 4.170 0.000 0.000 0.289 482 I C -0.506 175.504 176.117 -0.179 0.000 1.026 482 I CA -0.525 60.650 61.300 -0.209 0.000 1.078 482 I CB 1.771 39.617 38.000 -0.257 0.000 1.249 482 I HN 0.600 nan 8.210 nan 0.000 0.429 483 A N 4.248 126.967 122.820 -0.168 0.000 2.586 483 A HA 0.434 4.754 4.320 0.000 0.000 0.291 483 A C 0.083 177.610 177.584 -0.095 0.000 1.062 483 A CA -0.367 51.581 52.037 -0.149 0.000 0.666 483 A CB 1.232 20.178 19.000 -0.089 0.000 1.281 483 A HN 0.461 nan 8.150 nan 0.000 0.421 484 V N 0.725 120.595 119.914 -0.072 0.000 2.392 484 V HA 0.069 4.189 4.120 0.000 0.000 0.249 484 V C 0.688 176.809 176.094 0.045 0.000 1.059 484 V CA 3.293 65.588 62.300 -0.009 0.000 1.051 484 V CB -0.728 31.118 31.823 0.038 0.000 0.658 484 V HN 1.243 nan 8.190 nan 0.000 0.455 485 M N -1.077 118.624 119.600 0.169 0.000 3.012 485 M HA 0.356 4.836 4.480 0.000 0.000 0.272 485 M C -1.169 175.267 176.300 0.227 0.000 1.187 485 M CA -0.862 54.522 55.300 0.139 0.000 0.813 485 M CB 1.190 33.846 32.600 0.094 0.000 1.626 485 M HN 0.130 nan 8.290 nan 0.000 0.507 486 N N 0.964 119.727 118.700 0.104 0.000 2.492 486 N HA 0.116 4.856 4.740 0.000 0.000 0.262 486 N C 0.687 176.155 175.510 -0.070 0.000 1.202 486 N CA 0.470 53.571 53.050 0.084 0.000 0.926 486 N CB 1.315 39.820 38.487 0.030 0.000 1.078 486 N HN 0.926 nan 8.380 nan 0.000 0.454 487 G N 2.195 110.920 108.800 -0.124 0.000 2.529 487 G HA2 -0.329 3.631 3.960 0.000 0.000 0.219 487 G HA3 -0.329 3.631 3.960 0.000 0.000 0.219 487 G C 1.175 175.808 174.900 -0.444 0.000 1.177 487 G CA 0.814 45.529 45.100 -0.642 0.000 0.773 487 G HN 0.789 nan 8.290 nan 0.000 0.573 488 E N -0.330 119.750 120.200 -0.201 0.000 2.070 488 E HA -0.150 4.200 4.350 0.000 0.000 0.197 488 E C 2.786 179.307 176.600 -0.131 0.000 1.004 488 E CA 1.638 57.955 56.400 -0.137 0.000 0.805 488 E CB -0.389 29.264 29.700 -0.077 0.000 0.744 488 E HN 0.377 nan 8.360 nan 0.000 0.451 489 T N 0.829 115.312 114.554 -0.117 0.000 2.788 489 T HA -0.153 4.197 4.350 0.000 0.000 0.268 489 T C 1.940 176.577 174.700 -0.105 0.000 1.044 489 T CA 1.228 63.277 62.100 -0.084 0.000 1.139 489 T CB -0.188 68.648 68.868 -0.053 0.000 0.867 489 T HN 0.272 nan 8.240 nan 0.000 0.454 490 A N 1.405 124.103 122.820 -0.202 0.000 1.873 490 A HA 0.235 4.555 4.320 0.000 0.000 0.215 490 A C 2.664 180.161 177.584 -0.144 0.000 1.186 490 A CA 1.698 53.611 52.037 -0.206 0.000 0.616 490 A CB -1.147 17.574 19.000 -0.466 0.000 0.823 490 A HN 0.490 nan 8.150 nan 0.000 0.442 491 A N -0.006 122.707 122.820 -0.177 0.000 1.865 491 A HA -0.165 4.155 4.320 0.000 0.000 0.217 491 A C 2.504 180.151 177.584 0.105 0.000 1.191 491 A CA 2.950 54.990 52.037 0.006 0.000 0.623 491 A CB -1.600 17.362 19.000 -0.063 0.000 0.826 491 A HN 0.788 nan 8.150 nan 0.000 0.444 492 T N -1.807 112.758 114.554 0.017 0.000 2.708 492 T HA -0.008 4.342 4.350 0.000 0.000 0.266 492 T C 1.975 176.693 174.700 0.029 0.000 1.037 492 T CA 1.917 64.037 62.100 0.033 0.000 1.146 492 T CB -0.791 68.075 68.868 -0.004 0.000 0.865 492 T HN 0.677 nan 8.240 nan 0.000 0.435 493 A N 1.234 124.051 122.820 -0.006 0.000 1.972 493 A HA 0.114 4.434 4.320 0.000 0.000 0.219 493 A C 2.443 179.998 177.584 -0.048 0.000 1.169 493 A CA 1.770 53.794 52.037 -0.022 0.000 0.635 493 A CB -0.790 18.193 19.000 -0.028 0.000 0.810 493 A HN 0.626 nan 8.150 nan 0.000 0.446 494 M N -2.423 117.136 119.600 -0.067 0.000 2.388 494 M HA 0.022 4.502 4.480 0.000 0.000 0.265 494 M C 0.536 176.577 176.300 -0.432 0.000 1.088 494 M CA 1.348 56.500 55.300 -0.246 0.000 1.134 494 M CB 0.258 32.677 32.600 -0.301 0.000 1.384 494 M HN 0.453 nan 8.290 nan 0.000 0.447 495 Y N -1.136 119.150 120.300 -0.024 0.000 2.612 495 Y HA 0.324 4.874 4.550 0.000 0.000 0.250 495 Y C 1.971 177.860 175.900 -0.018 0.000 1.175 495 Y CA -0.301 57.787 58.100 -0.019 0.000 1.205 495 Y CB 0.072 38.520 38.460 -0.021 0.000 1.201 495 Y HN 0.109 nan 8.280 nan 0.000 0.532 496 S N 0.177 115.922 115.700 0.075 0.000 2.382 496 S HA -0.172 4.298 4.470 0.000 0.000 0.228 496 S C 1.998 176.618 174.600 0.033 0.000 1.027 496 S CA 1.428 59.655 58.200 0.045 0.000 0.991 496 S CB -0.007 63.203 63.200 0.017 0.000 0.823 496 S HN 0.371 nan 8.310 nan 0.000 0.469 497 R N 1.119 121.628 120.500 0.016 0.000 2.090 497 R HA 0.172 4.512 4.340 0.000 0.000 0.228 497 R C 2.287 178.602 176.300 0.025 0.000 1.110 497 R CA 0.964 57.069 56.100 0.009 0.000 0.973 497 R CB -0.423 29.870 30.300 -0.011 0.000 0.869 497 R HN 0.305 nan 8.270 nan 0.000 0.440 498 R N 0.400 120.928 120.500 0.048 0.000 2.148 498 R HA -0.002 4.338 4.340 0.000 0.000 0.227 498 R C 1.726 178.066 176.300 0.066 0.000 1.103 498 R CA 0.973 57.115 56.100 0.070 0.000 0.983 498 R CB -0.162 30.219 30.300 0.134 0.000 0.874 498 R HN 0.182 nan 8.270 nan 0.000 0.451 499 L N -0.071 121.194 121.223 0.070 0.000 2.005 499 L HA -0.089 4.251 4.340 0.000 0.000 0.207 499 L C 2.672 179.558 176.870 0.026 0.000 1.072 499 L CA 1.378 56.245 54.840 0.045 0.000 0.744 499 L CB -0.584 41.500 42.059 0.042 0.000 0.895 499 L HN 0.289 nan 8.230 nan 0.000 0.433 500 A N -0.137 122.697 122.820 0.023 0.000 1.933 500 A HA -0.243 4.077 4.320 0.000 0.000 0.218 500 A C 2.372 179.964 177.584 0.012 0.000 1.175 500 A CA 1.939 53.985 52.037 0.014 0.000 0.628 500 A CB -0.387 18.619 19.000 0.011 0.000 0.814 500 A HN 0.327 nan 8.150 nan 0.000 0.444 501 K N -0.551 119.858 120.400 0.016 0.000 2.062 501 K HA -0.146 4.174 4.320 0.000 0.000 0.205 501 K C 1.344 177.953 176.600 0.014 0.000 1.051 501 K CA 1.548 57.843 56.287 0.013 0.000 0.941 501 K CB -0.168 32.340 32.500 0.013 0.000 0.719 501 K HN 0.343 nan 8.250 nan 0.000 0.440 502 D N 0.007 120.418 120.400 0.019 0.000 2.144 502 D HA -0.129 4.511 4.640 0.000 0.000 0.199 502 D C 1.903 178.209 176.300 0.011 0.000 0.984 502 D CA 0.930 54.940 54.000 0.017 0.000 0.834 502 D CB 0.036 40.850 40.800 0.022 0.000 0.955 502 D HN 0.166 nan 8.370 nan 0.000 0.465 503 R N 0.767 121.273 120.500 0.010 0.000 2.081 503 R HA -0.127 4.213 4.340 0.000 0.000 0.235 503 R C 2.049 178.352 176.300 0.004 0.000 1.131 503 R CA 1.314 57.418 56.100 0.006 0.000 0.960 503 R CB 0.023 30.326 30.300 0.005 0.000 0.856 503 R HN 0.051 nan 8.270 nan 0.000 0.436 504 K N -0.048 120.355 120.400 0.005 0.000 2.026 504 K HA -0.091 4.229 4.320 0.000 0.000 0.208 504 K C 1.517 178.120 176.600 0.004 0.000 1.048 504 K CA 1.537 57.827 56.287 0.004 0.000 0.929 504 K CB -0.163 32.340 32.500 0.004 0.000 0.713 504 K HN 0.242 nan 8.250 nan 0.000 0.439 505 A N 0.575 123.398 122.820 0.005 0.000 2.255 505 A HA 0.164 4.484 4.320 0.000 0.000 0.206 505 A C 0.952 178.538 177.584 0.004 0.000 1.193 505 A CA 0.724 52.764 52.037 0.005 0.000 0.794 505 A CB -0.800 18.204 19.000 0.006 0.000 0.794 505 A HN 0.584 nan 8.150 nan 0.000 0.481 506 G N -0.043 108.759 108.800 0.003 0.000 2.350 506 G HA2 -0.262 3.698 3.960 0.000 0.000 0.298 506 G HA3 -0.262 3.698 3.960 0.000 0.000 0.298 506 G C -0.076 174.826 174.900 0.002 0.000 1.037 506 G CA 0.753 45.854 45.100 0.002 0.000 1.074 506 G HN 0.637 nan 8.290 nan 0.000 0.511 507 K N -0.188 120.214 120.400 0.003 0.000 2.267 507 K HA 0.364 4.684 4.320 0.000 0.000 0.246 507 K C -0.287 176.314 176.600 0.002 0.000 0.954 507 K CA -1.116 55.173 56.287 0.004 0.000 0.824 507 K CB 1.456 33.961 32.500 0.007 0.000 1.167 507 K HN 0.137 nan 8.250 nan 0.000 0.431 508 D N 2.205 122.605 120.400 -0.000 0.000 2.493 508 D HA -0.051 4.589 4.640 0.000 0.000 0.240 508 D C 0.494 176.790 176.300 -0.006 0.000 1.142 508 D CA 0.422 54.419 54.000 -0.005 0.000 0.872 508 D CB 0.761 41.558 40.800 -0.006 0.000 1.173 508 D HN 0.426 nan 8.370 nan 0.000 0.467 509 L N 2.935 124.152 121.223 -0.011 0.000 2.554 509 L HA -0.010 4.330 4.340 0.000 0.000 0.225 509 L C 2.037 178.888 176.870 -0.032 0.000 1.104 509 L CA -0.120 54.710 54.840 -0.016 0.000 0.866 509 L CB -0.141 41.910 42.059 -0.013 0.000 1.047 509 L HN 0.388 nan 8.230 nan 0.000 0.468 510 Q N 1.574 121.356 119.800 -0.030 0.000 2.061 510 Q HA -0.149 4.191 4.340 0.000 0.000 0.204 510 Q C -0.633 175.334 176.000 -0.054 0.000 0.984 510 Q CA 2.164 57.943 55.803 -0.040 0.000 0.846 510 Q CB -1.120 27.600 28.738 -0.029 0.000 0.902 510 Q HN 0.216 nan 8.270 nan 0.000 0.421 511 P HA -0.113 nan 4.420 nan 0.000 0.215 511 P C 1.023 178.267 177.300 -0.094 0.000 1.153 511 P CA 2.004 65.074 63.100 -0.050 0.000 0.853 511 P CB -0.176 31.510 31.700 -0.024 0.000 0.788 512 T N -0.797 113.698 114.554 -0.099 0.000 2.821 512 T HA -0.049 4.301 4.350 0.000 0.000 0.267 512 T C 1.751 176.273 174.700 -0.297 0.000 1.046 512 T CA 0.930 62.913 62.100 -0.196 0.000 1.139 512 T CB -0.827 67.996 68.868 -0.075 0.000 0.871 512 T HN 0.065 nan 8.240 nan 0.000 0.454 513 I N 1.417 121.884 120.570 -0.172 0.000 2.226 513 I HA -0.175 3.995 4.170 0.000 0.000 0.245 513 I C 2.277 178.293 176.117 -0.168 0.000 1.100 513 I CA 1.142 62.350 61.300 -0.155 0.000 1.374 513 I CB -0.362 37.584 38.000 -0.090 0.000 1.057 513 I HN 0.160 nan 8.210 nan 0.000 0.413 514 D N 1.178 121.493 120.400 -0.142 0.000 2.117 514 D HA -0.162 4.478 4.640 0.000 0.000 0.197 514 D C 2.150 178.358 176.300 -0.152 0.000 0.987 514 D CA 1.228 55.159 54.000 -0.116 0.000 0.829 514 D CB -0.183 40.569 40.800 -0.079 0.000 0.961 514 D HN 0.342 nan 8.370 nan 0.000 0.460 515 K N 0.151 120.408 120.400 -0.238 0.000 2.063 515 K HA -0.077 4.243 4.320 0.000 0.000 0.208 515 K C 2.311 178.713 176.600 -0.331 0.000 1.048 515 K CA 0.947 57.061 56.287 -0.288 0.000 0.928 515 K CB -0.115 32.109 32.500 -0.460 0.000 0.713 515 K HN 0.140 nan 8.250 nan 0.000 0.442 516 M N 0.545 119.869 119.600 -0.459 0.000 2.086 516 M HA -0.192 4.288 4.480 0.000 0.000 0.261 516 M C 1.662 177.880 176.300 -0.136 0.000 1.067 516 M CA 1.766 56.894 55.300 -0.286 0.000 1.116 516 M CB -0.476 31.976 32.600 -0.246 0.000 1.348 516 M HN 0.210 nan 8.290 nan 0.000 0.407 517 N N 0.097 118.724 118.700 -0.121 0.000 2.244 517 N HA -0.103 4.637 4.740 0.000 0.000 0.183 517 N C 1.234 176.722 175.510 -0.036 0.000 1.016 517 N CA 1.055 54.062 53.050 -0.071 0.000 0.866 517 N CB -0.185 38.263 38.487 -0.066 0.000 0.980 517 N HN 0.431 nan 8.380 nan 0.000 0.430 518 N N 0.299 118.977 118.700 -0.036 0.000 2.216 518 N HA -0.080 4.660 4.740 0.000 0.000 0.183 518 N C 1.561 177.106 175.510 0.058 0.000 1.017 518 N CA 0.303 53.358 53.050 0.009 0.000 0.861 518 N CB 0.062 38.551 38.487 0.003 0.000 0.986 518 N HN 0.096 nan 8.380 nan 0.000 0.428 519 L N 1.553 122.806 121.223 0.051 0.000 2.027 519 L HA -0.017 4.323 4.340 0.000 0.000 0.206 519 L C 1.817 178.753 176.870 0.110 0.000 1.074 519 L CA 1.327 56.240 54.840 0.123 0.000 0.745 519 L CB -0.396 41.721 42.059 0.097 0.000 0.898 519 L HN 0.151 nan 8.230 nan 0.000 0.433 520 I N -0.712 119.851 120.570 -0.011 0.000 2.208 520 I HA -0.324 3.846 4.170 0.000 0.000 0.245 520 I C 2.524 178.712 176.117 0.118 0.000 1.097 520 I CA 1.515 62.802 61.300 -0.022 0.000 1.363 520 I CB -0.415 37.551 38.000 -0.055 0.000 1.051 520 I HN 0.399 nan 8.210 nan 0.000 0.413 521 Q N 1.485 121.346 119.800 0.102 0.000 2.084 521 Q HA -0.159 4.181 4.340 0.000 0.000 0.202 521 Q C 2.148 178.272 176.000 0.206 0.000 0.978 521 Q CA 2.284 58.169 55.803 0.136 0.000 0.844 521 Q CB -0.350 28.434 28.738 0.078 0.000 0.898 521 Q HN 0.477 nan 8.270 nan 0.000 0.426 522 A N -0.482 122.458 122.820 0.200 0.000 1.902 522 A HA -0.126 4.194 4.320 0.000 0.000 0.217 522 A C 1.920 179.635 177.584 0.219 0.000 1.181 522 A CA 1.395 53.544 52.037 0.187 0.000 0.623 522 A CB -0.992 18.118 19.000 0.183 0.000 0.818 522 A HN 0.464 nan 8.150 nan 0.000 0.443 523 F N -1.470 118.518 119.950 0.063 0.000 2.095 523 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 523 F C 2.227 178.062 175.800 0.058 0.000 1.104 523 F CA 1.660 59.690 58.000 0.050 0.000 1.232 523 F CB -0.952 38.082 39.000 0.056 0.000 0.987 523 F HN 0.445 nan 8.300 nan 0.000 0.475 524 Y N 0.740 121.150 120.300 0.184 0.000 2.114 524 Y HA -0.268 4.282 4.550 -0.000 0.000 0.284 524 Y C 2.589 178.514 175.900 0.042 0.000 1.143 524 Y CA 2.349 60.502 58.100 0.089 0.000 1.135 524 Y CB -1.033 37.466 38.460 0.065 0.000 0.980 524 Y HN -0.018 nan 8.280 nan 0.000 0.499 525 T N 0.996 115.572 114.554 0.037 0.000 2.684 525 T HA -0.173 4.177 4.350 0.000 0.000 0.267 525 T C 1.610 176.233 174.700 -0.128 0.000 1.036 525 T CA 1.815 63.876 62.100 -0.065 0.000 1.148 525 T CB -0.189 68.709 68.868 0.051 0.000 0.863 525 T HN 0.133 nan 8.240 nan 0.000 0.436 526 K N 1.750 122.096 120.400 -0.090 0.000 2.525 526 K HA 0.124 4.444 4.320 0.000 0.000 0.192 526 K C 2.004 178.511 176.600 -0.155 0.000 1.029 526 K CA 0.430 56.645 56.287 -0.119 0.000 1.029 526 K CB -0.080 32.343 32.500 -0.128 0.000 0.814 526 K HN 0.543 nan 8.250 nan 0.000 0.503 527 S N -0.667 114.925 115.700 -0.181 0.000 2.559 527 S HA 0.209 4.679 4.470 0.000 0.000 0.226 527 S C 0.630 175.108 174.600 -0.203 0.000 1.000 527 S CA -0.625 57.469 58.200 -0.178 0.000 0.948 527 S CB 0.477 63.596 63.200 -0.135 0.000 0.870 527 S HN -0.062 nan 8.310 nan 0.000 0.497 528 R N 2.430 122.778 120.500 -0.253 0.000 2.694 528 R HA 0.306 4.646 4.340 0.000 0.000 0.268 528 R C -1.860 174.351 176.300 -0.149 0.000 1.061 528 R CA -2.243 53.712 56.100 -0.242 0.000 1.133 528 R CB -0.759 29.381 30.300 -0.267 0.000 1.020 528 R HN 0.071 nan 8.270 nan 0.000 0.475 529 P HA -0.263 nan 4.420 nan 0.000 0.217 529 P C 0.964 178.219 177.300 -0.075 0.000 1.162 529 P CA 2.071 65.117 63.100 -0.091 0.000 0.901 529 P CB 0.106 31.758 31.700 -0.080 0.000 0.793 530 K N -0.761 119.596 120.400 -0.071 0.000 2.103 530 K HA -0.090 4.230 4.320 0.000 0.000 0.207 530 K C 1.751 178.322 176.600 -0.048 0.000 1.048 530 K CA 1.610 57.865 56.287 -0.052 0.000 0.930 530 K CB -1.281 31.192 32.500 -0.044 0.000 0.716 530 K HN 0.025 nan 8.250 nan 0.000 0.444 531 V N 1.533 121.406 119.914 -0.067 0.000 2.453 531 V HA -0.225 3.895 4.120 0.000 0.000 0.247 531 V C 2.602 178.666 176.094 -0.051 0.000 1.048 531 V CA 1.344 63.606 62.300 -0.064 0.000 1.049 531 V CB -0.484 31.288 31.823 -0.086 0.000 0.672 531 V HN 0.510 nan 8.190 nan 0.000 0.457 532 C N 0.482 119.746 119.300 -0.059 0.000 2.413 532 C HA -0.123 4.337 4.460 0.000 0.000 0.276 532 C C 3.084 178.074 174.990 0.000 0.000 1.248 532 C CA 0.975 59.967 59.018 -0.042 0.000 1.742 532 C CB -1.308 26.394 27.740 -0.063 0.000 2.017 532 C HN 0.628 nan 8.230 nan 0.000 0.481 533 A N 0.631 123.450 122.820 -0.001 0.000 1.898 533 A HA -0.163 4.157 4.320 0.000 0.000 0.216 533 A C 2.005 179.638 177.584 0.083 0.000 1.181 533 A CA 1.539 53.598 52.037 0.036 0.000 0.620 533 A CB -0.547 18.459 19.000 0.010 0.000 0.819 533 A HN 0.704 nan 8.150 nan 0.000 0.442 534 E N -0.069 120.148 120.200 0.029 0.000 2.110 534 E HA -0.129 4.221 4.350 0.000 0.000 0.193 534 E C 1.717 178.299 176.600 -0.030 0.000 0.988 534 E CA 1.199 57.598 56.400 -0.002 0.000 0.804 534 E CB -0.264 29.413 29.700 -0.038 0.000 0.745 534 E HN 0.613 nan 8.360 nan 0.000 0.458 535 L N -0.778 120.447 121.223 0.004 0.000 2.446 535 L HA 0.142 4.482 4.340 0.000 0.000 0.219 535 L C 1.461 178.436 176.870 0.175 0.000 1.116 535 L CA 0.456 55.300 54.840 0.007 0.000 0.844 535 L CB 0.054 42.107 42.059 -0.010 0.000 0.970 535 L HN 0.342 nan 8.230 nan 0.000 0.457 536 G N -0.121 108.835 108.800 0.259 0.000 2.141 536 G HA2 -0.260 3.700 3.960 0.000 0.000 0.231 536 G HA3 -0.260 3.700 3.960 0.000 0.000 0.231 536 G C 0.832 175.809 174.900 0.129 0.000 0.984 536 G CA 0.220 45.502 45.100 0.304 0.000 0.660 536 G HN 0.249 nan 8.290 nan 0.000 0.525 537 L N -0.534 120.739 121.223 0.083 0.000 2.187 537 L HA 0.064 4.404 4.340 0.000 0.000 0.213 537 L C 1.539 178.439 176.870 0.050 0.000 1.100 537 L CA 1.834 56.706 54.840 0.053 0.000 0.765 537 L CB -0.730 41.329 42.059 0.000 0.000 0.904 537 L HN 0.597 nan 8.230 nan 0.000 0.437 538 V N -5.869 114.066 119.914 0.035 0.000 2.876 538 V HA 0.359 4.479 4.120 0.000 0.000 0.312 538 V C 0.176 176.286 176.094 0.027 0.000 1.085 538 V CA -0.872 61.441 62.300 0.022 0.000 0.945 538 V CB 2.158 33.973 31.823 -0.013 0.000 1.017 538 V HN -0.083 nan 8.190 nan 0.000 0.428 539 D N 0.948 121.369 120.400 0.035 0.000 2.317 539 D HA 0.139 4.779 4.640 0.000 0.000 0.211 539 D C 0.330 176.621 176.300 -0.014 0.000 0.966 539 D CA 1.359 55.358 54.000 -0.002 0.000 0.876 539 D CB 0.783 41.602 40.800 0.032 0.000 0.927 539 D HN 0.801 nan 8.370 nan 0.000 0.519 540 E N -0.225 119.963 120.200 -0.020 0.000 2.422 540 E HA 0.201 4.551 4.350 0.000 0.000 0.289 540 E C -1.735 174.802 176.600 -0.105 0.000 0.985 540 E CA -0.470 55.892 56.400 -0.063 0.000 0.812 540 E CB 1.415 31.053 29.700 -0.102 0.000 1.226 540 E HN -0.265 nan 8.360 nan 0.000 0.419 541 I N 4.155 124.668 120.570 -0.094 0.000 2.312 541 I HA 0.325 4.495 4.170 0.000 0.000 0.291 541 I C -0.311 175.724 176.117 -0.138 0.000 1.031 541 I CA -0.583 60.651 61.300 -0.111 0.000 1.293 541 I CB 0.876 38.820 38.000 -0.094 0.000 1.403 541 I HN 0.342 nan 8.210 nan 0.000 0.484 542 V N 5.969 125.785 119.914 -0.163 0.000 2.547 542 V HA 0.302 4.422 4.120 0.000 0.000 0.299 542 V C 0.032 176.088 176.094 -0.063 0.000 1.040 542 V CA -1.004 61.211 62.300 -0.141 0.000 0.913 542 V CB 2.089 33.736 31.823 -0.294 0.000 0.992 542 V HN 0.566 nan 8.190 nan 0.000 0.449 543 D N 2.445 122.860 120.400 0.025 0.000 2.423 543 D HA 0.075 4.715 4.640 0.000 0.000 0.238 543 D C 0.905 177.199 176.300 -0.010 0.000 1.142 543 D CA -0.210 53.836 54.000 0.076 0.000 0.884 543 D CB 0.768 41.701 40.800 0.221 0.000 1.199 543 D HN 0.395 nan 8.370 nan 0.000 0.438 544 M N 2.125 121.637 119.600 -0.147 0.000 2.144 544 M HA -0.214 4.266 4.480 0.000 0.000 0.260 544 M C 1.162 177.317 176.300 -0.242 0.000 1.067 544 M CA 1.507 56.582 55.300 -0.375 0.000 1.095 544 M CB -0.457 31.540 32.600 -1.005 0.000 1.365 544 M HN 0.422 nan 8.290 nan 0.000 0.406 545 N N -1.486 117.151 118.700 -0.104 0.000 2.314 545 N HA -0.019 4.721 4.740 0.000 0.000 0.200 545 N C 0.587 176.150 175.510 0.087 0.000 1.135 545 N CA 0.364 53.431 53.050 0.028 0.000 0.835 545 N CB -0.082 38.497 38.487 0.153 0.000 0.989 545 N HN 0.220 nan 8.380 nan 0.000 0.478 546 K N 0.209 120.670 120.400 0.102 0.000 2.374 546 K HA 0.334 4.654 4.320 0.000 0.000 0.202 546 K C 1.510 178.242 176.600 0.219 0.000 1.040 546 K CA -0.197 56.196 56.287 0.176 0.000 1.085 546 K CB 0.581 33.222 32.500 0.234 0.000 0.873 546 K HN 0.188 nan 8.250 nan 0.000 0.539 547 I N 0.920 121.559 120.570 0.115 0.000 2.163 547 I HA -0.264 3.906 4.170 0.000 0.000 0.243 547 I C 2.616 178.828 176.117 0.158 0.000 1.085 547 I CA 1.320 62.689 61.300 0.115 0.000 1.347 547 I CB -0.214 37.788 38.000 0.003 0.000 1.044 547 I HN 0.125 nan 8.210 nan 0.000 0.408 548 R N 1.320 121.866 120.500 0.077 0.000 2.127 548 R HA -0.151 4.189 4.340 0.000 0.000 0.238 548 R C 2.312 178.661 176.300 0.082 0.000 1.134 548 R CA 1.580 57.699 56.100 0.033 0.000 0.975 548 R CB -0.525 29.774 30.300 -0.002 0.000 0.865 548 R HN 0.435 nan 8.270 nan 0.000 0.447 549 G N -0.416 108.457 108.800 0.122 0.000 2.442 549 G HA2 -0.276 3.684 3.960 0.000 0.000 0.219 549 G HA3 -0.276 3.684 3.960 0.000 0.000 0.219 549 G C 0.900 175.796 174.900 -0.007 0.000 1.141 549 G CA 0.777 45.919 45.100 0.070 0.000 0.763 549 G HN 0.367 nan 8.290 nan 0.000 0.554 550 Y N 0.114 120.421 120.300 0.013 0.000 2.337 550 Y HA 0.036 4.586 4.550 0.000 0.000 0.293 550 Y C 2.957 178.794 175.900 -0.104 0.000 1.123 550 Y CA 0.447 58.526 58.100 -0.036 0.000 1.201 550 Y CB -0.274 38.261 38.460 0.124 0.000 1.011 550 Y HN 0.042 nan 8.280 nan 0.000 0.545 551 V N 0.080 120.117 119.914 0.204 0.000 2.407 551 V HA -0.279 3.841 4.120 0.000 0.000 0.248 551 V C 1.972 178.122 176.094 0.094 0.000 1.055 551 V CA 2.013 64.426 62.300 0.189 0.000 1.049 551 V CB -0.451 31.422 31.823 0.084 0.000 0.662 551 V HN 0.419 nan 8.190 nan 0.000 0.455 552 E N 0.250 120.463 120.200 0.021 0.000 2.028 552 E HA -0.184 4.166 4.350 0.000 0.000 0.191 552 E C 2.387 178.888 176.600 -0.165 0.000 0.988 552 E CA 1.301 57.700 56.400 -0.001 0.000 0.799 552 E CB -0.394 29.335 29.700 0.048 0.000 0.755 552 E HN 0.572 nan 8.360 nan 0.000 0.447 553 A N 1.267 123.847 122.820 -0.400 0.000 1.892 553 A HA -0.235 4.085 4.320 0.000 0.000 0.218 553 A C 2.043 179.140 177.584 -0.812 0.000 1.188 553 A CA 1.587 52.945 52.037 -1.130 0.000 0.631 553 A CB -0.896 17.317 19.000 -1.311 0.000 0.822 553 A HN 0.380 nan 8.150 nan 0.000 0.447 554 F N 1.512 121.148 119.950 -0.523 0.000 2.069 554 F HA -0.182 4.345 4.527 0.000 0.000 0.298 554 F C 2.423 178.082 175.800 -0.235 0.000 1.113 554 F CA 2.520 60.288 58.000 -0.388 0.000 1.214 554 F CB -0.907 37.722 39.000 -0.618 0.000 0.978 554 F HN 0.210 nan 8.300 nan 0.000 0.474 555 T N 0.394 114.732 114.554 -0.361 0.000 2.746 555 T HA -0.187 4.163 4.350 0.000 0.000 0.267 555 T C 1.710 176.326 174.700 -0.140 0.000 1.039 555 T CA 1.800 63.731 62.100 -0.282 0.000 1.142 555 T CB -0.420 68.511 68.868 0.104 0.000 0.866 555 T HN 0.433 nan 8.240 nan 0.000 0.444 556 E N 1.215 121.353 120.200 -0.103 0.000 2.106 556 E HA -0.012 4.338 4.350 0.000 0.000 0.192 556 E C 2.583 179.206 176.600 0.039 0.000 0.984 556 E CA 0.857 57.298 56.400 0.068 0.000 0.806 556 E CB -0.220 29.622 29.700 0.238 0.000 0.750 556 E HN 0.496 nan 8.360 nan 0.000 0.458 557 A N 1.754 124.431 122.820 -0.239 0.000 1.873 557 A HA -0.084 4.236 4.320 0.000 0.000 0.215 557 A C 2.445 179.945 177.584 -0.141 0.000 1.186 557 A CA 1.588 53.546 52.037 -0.131 0.000 0.616 557 A CB -0.631 18.218 19.000 -0.252 0.000 0.823 557 A HN 0.282 nan 8.150 nan 0.000 0.442 558 A N -1.891 120.706 122.820 -0.372 0.000 1.978 558 A HA -0.103 4.217 4.320 0.000 0.000 0.220 558 A C 1.870 179.214 177.584 -0.399 0.000 1.170 558 A CA 1.497 53.259 52.037 -0.458 0.000 0.636 558 A CB -0.660 17.861 19.000 -0.798 0.000 0.810 558 A HN 0.632 nan 8.150 nan 0.000 0.448 559 Y N -0.962 119.200 120.300 -0.229 0.000 2.457 559 Y HA 0.107 4.657 4.550 0.000 0.000 0.263 559 Y C 2.307 178.213 175.900 0.010 0.000 1.164 559 Y CA 0.523 58.481 58.100 -0.237 0.000 1.274 559 Y CB 0.089 38.452 38.460 -0.161 0.000 1.097 559 Y HN 0.502 nan 8.280 nan 0.000 0.523 560 Q N 1.310 121.233 119.800 0.204 0.000 2.050 560 Q HA -0.171 4.169 4.340 0.000 0.000 0.202 560 Q C 0.516 176.736 176.000 0.368 0.000 0.980 560 Q CA 1.443 57.423 55.803 0.296 0.000 0.840 560 Q CB 0.152 29.043 28.738 0.255 0.000 0.898 560 Q HN 0.401 nan 8.270 nan 0.000 0.424 561 N N 0.034 118.898 118.700 0.273 0.000 2.700 561 N HA 0.249 4.989 4.740 0.000 0.000 0.242 561 N C -2.831 172.776 175.510 0.162 0.000 1.541 561 N CA -1.225 52.033 53.050 0.345 0.000 0.764 561 N CB 1.041 39.688 38.487 0.265 0.000 1.319 561 N HN 0.027 nan 8.380 nan 0.000 0.518 562 P HA 0.074 nan 4.420 nan 0.000 0.269 562 P C 0.533 177.752 177.300 -0.134 0.000 1.209 562 P CA -0.066 62.922 63.100 -0.187 0.000 0.776 562 P CB 0.922 32.377 31.700 -0.408 0.000 0.876 563 E N -0.113 119.927 120.200 -0.267 0.000 2.230 563 E HA 0.011 4.361 4.350 0.000 0.000 0.192 563 E C 0.472 176.990 176.600 -0.137 0.000 0.987 563 E CA 0.937 57.196 56.400 -0.235 0.000 0.841 563 E CB 0.281 29.760 29.700 -0.368 0.000 0.783 563 E HN 0.315 nan 8.360 nan 0.000 0.481 564 S N -0.384 115.222 115.700 -0.156 0.000 2.549 564 S HA 0.654 5.124 4.470 0.000 0.000 0.280 564 S C -0.974 173.550 174.600 -0.126 0.000 1.109 564 S CA -0.683 57.445 58.200 -0.119 0.000 0.905 564 S CB 0.943 64.062 63.200 -0.134 0.000 1.081 564 S HN -0.016 nan 8.310 nan 0.000 0.477 565 I N 2.025 122.552 120.570 -0.071 0.000 2.647 565 I HA 0.497 4.667 4.170 0.000 0.000 0.295 565 I C -0.907 175.156 176.117 -0.091 0.000 1.078 565 I CA -0.732 60.537 61.300 -0.052 0.000 1.048 565 I CB 2.113 40.167 38.000 0.090 0.000 1.239 565 I HN 0.655 nan 8.210 nan 0.000 0.421 566 C N 7.432 126.639 119.300 -0.156 0.000 2.344 566 C HA 0.569 5.029 4.460 0.000 0.000 0.326 566 C C -2.492 172.308 174.990 -0.316 0.000 1.201 566 C CA -1.842 57.061 59.018 -0.192 0.000 1.410 566 C CB 0.822 28.456 27.740 -0.178 0.000 2.070 566 C HN 0.476 nan 8.230 nan 0.000 0.445 567 P HA 0.108 nan 4.420 nan 0.000 0.265 567 P C 0.464 177.452 177.300 -0.521 0.000 1.187 567 P CA 0.296 63.095 63.100 -0.503 0.000 0.766 567 P CB 0.256 31.584 31.700 -0.619 0.000 0.820 568 F N 1.166 121.033 119.950 -0.138 0.000 2.091 568 F HA -0.262 4.265 4.527 0.000 0.000 0.299 568 F C 2.500 178.329 175.800 0.049 0.000 1.103 568 F CA 1.494 59.510 58.000 0.027 0.000 1.228 568 F CB -0.848 38.252 39.000 0.167 0.000 0.984 568 F HN 0.539 nan 8.300 nan 0.000 0.477 569 H N -0.299 118.919 119.070 0.247 0.000 2.561 569 H HA -0.022 4.534 4.556 0.000 0.000 0.278 569 H C 0.921 176.288 175.328 0.065 0.000 1.014 569 H CA 0.969 57.101 56.048 0.141 0.000 1.211 569 H CB -0.788 29.046 29.762 0.120 0.000 1.365 569 H HN 0.449 nan 8.280 nan 0.000 0.594 570 Q N 0.391 120.062 119.800 -0.214 0.000 2.179 570 Q HA 0.298 4.638 4.340 0.000 0.000 0.213 570 Q C -0.084 175.858 176.000 -0.096 0.000 0.833 570 Q CA -0.307 55.411 55.803 -0.141 0.000 0.990 570 Q CB 0.794 29.407 28.738 -0.208 0.000 1.132 570 Q HN 0.354 nan 8.270 nan 0.000 0.493 571 M N 0.221 119.786 119.600 -0.057 0.000 2.216 571 M HA 0.144 4.624 4.480 0.000 0.000 0.356 571 M C 0.336 176.603 176.300 -0.054 0.000 1.205 571 M CA -0.136 55.141 55.300 -0.039 0.000 1.122 571 M CB 0.986 33.616 32.600 0.050 0.000 1.571 571 M HN 0.082 nan 8.290 nan 0.000 0.464 572 I N 1.965 122.499 120.570 -0.060 0.000 3.081 572 I HA -0.082 4.088 4.170 0.000 0.000 0.274 572 I C 1.741 177.828 176.117 -0.049 0.000 1.178 572 I CA 0.607 61.875 61.300 -0.053 0.000 1.460 572 I CB -0.373 37.602 38.000 -0.042 0.000 1.137 572 I HN 0.643 nan 8.210 nan 0.000 0.443 573 L N 2.129 123.308 121.223 -0.073 0.000 2.013 573 L HA -0.136 4.204 4.340 0.000 0.000 0.212 573 L C -0.569 176.301 176.870 -0.000 0.000 1.073 573 L CA 2.536 57.329 54.840 -0.079 0.000 0.753 573 L CB -1.777 40.190 42.059 -0.154 0.000 0.890 573 L HN 0.130 nan 8.230 nan 0.000 0.432 574 P HA -0.140 nan 4.420 nan 0.000 0.215 574 P C 1.486 178.775 177.300 -0.018 0.000 1.153 574 P CA 1.429 64.493 63.100 -0.060 0.000 0.853 574 P CB 0.034 31.543 31.700 -0.318 0.000 0.788 575 R N -0.433 120.015 120.500 -0.087 0.000 2.073 575 R HA 0.045 4.385 4.340 0.000 0.000 0.229 575 R C 2.307 178.686 176.300 0.132 0.000 1.120 575 R CA 1.599 57.736 56.100 0.063 0.000 0.967 575 R CB -1.640 28.663 30.300 0.005 0.000 0.862 575 R HN 0.082 nan 8.270 nan 0.000 0.436 576 A N 0.581 123.472 122.820 0.119 0.000 1.940 576 A HA -0.147 4.173 4.320 0.000 0.000 0.219 576 A C 2.152 179.897 177.584 0.268 0.000 1.176 576 A CA 1.392 53.546 52.037 0.196 0.000 0.631 576 A CB -0.630 18.508 19.000 0.230 0.000 0.814 576 A HN 0.241 nan 8.150 nan 0.000 0.446 577 I N -1.112 119.610 120.570 0.253 0.000 2.127 577 I HA -0.282 3.888 4.170 0.000 0.000 0.241 577 I C 2.718 178.938 176.117 0.172 0.000 1.075 577 I CA 1.901 63.325 61.300 0.206 0.000 1.334 577 I CB -0.304 37.707 38.000 0.018 0.000 1.040 577 I HN 0.327 nan 8.210 nan 0.000 0.405 578 R N 1.337 121.937 120.500 0.168 0.000 2.083 578 R HA -0.184 4.156 4.340 0.000 0.000 0.237 578 R C 2.143 178.544 176.300 0.168 0.000 1.137 578 R CA 1.626 57.829 56.100 0.172 0.000 0.951 578 R CB -0.426 29.997 30.300 0.205 0.000 0.851 578 R HN 0.264 nan 8.270 nan 0.000 0.434 579 E N -0.276 120.030 120.200 0.176 0.000 2.085 579 E HA -0.211 4.139 4.350 0.000 0.000 0.194 579 E C 1.830 178.544 176.600 0.190 0.000 0.994 579 E CA 1.242 57.736 56.400 0.156 0.000 0.801 579 E CB -0.505 29.262 29.700 0.113 0.000 0.743 579 E HN 0.381 nan 8.360 nan 0.000 0.453 580 F N 2.537 122.528 119.950 0.069 0.000 2.171 580 F HA -0.174 4.353 4.527 -0.000 0.000 0.300 580 F C 2.120 177.951 175.800 0.052 0.000 1.090 580 F CA 1.795 59.819 58.000 0.039 0.000 1.293 580 F CB 0.071 39.032 39.000 -0.064 0.000 1.013 580 F HN 0.046 nan 8.300 nan 0.000 0.486 581 E N -1.160 119.114 120.200 0.123 0.000 2.216 581 E HA -0.119 4.231 4.350 0.000 0.000 0.192 581 E C 1.904 178.487 176.600 -0.028 0.000 0.988 581 E CA 1.490 57.907 56.400 0.028 0.000 0.834 581 E CB -0.715 29.069 29.700 0.139 0.000 0.772 581 E HN 0.516 nan 8.360 nan 0.000 0.479 582 T N -1.159 113.410 114.554 0.025 0.000 3.039 582 T HA 0.009 4.359 4.350 0.000 0.000 0.250 582 T C 0.507 175.223 174.700 0.028 0.000 1.052 582 T CA -0.464 61.650 62.100 0.023 0.000 1.125 582 T CB -0.433 68.470 68.868 0.057 0.000 0.908 582 T HN 0.101 nan 8.240 nan 0.000 0.473 583 F N 3.325 123.219 119.950 -0.092 0.000 2.543 583 F HA 0.475 5.002 4.527 -0.000 0.000 0.375 583 F C -0.601 175.119 175.800 -0.132 0.000 1.075 583 F CA -1.247 56.697 58.000 -0.093 0.000 1.225 583 F CB 0.638 39.594 39.000 -0.073 0.000 1.099 583 F HN -0.090 nan 8.300 nan 0.000 0.561 584 V N 7.513 126.862 119.914 -0.942 0.000 2.349 584 V HA 0.167 4.287 4.120 0.000 0.000 0.284 584 V C -0.552 174.848 176.094 -1.157 0.000 1.014 584 V CA -1.138 60.687 62.300 -0.791 0.000 0.826 584 V CB 1.251 32.833 31.823 -0.403 0.000 1.009 584 V HN 0.662 nan 8.190 nan 0.000 0.431 585 K N 5.369 125.127 120.400 -1.070 0.000 2.245 585 K HA 0.219 4.539 4.320 0.000 0.000 0.281 585 K C 0.405 176.837 176.600 -0.279 0.000 1.079 585 K CA -0.375 55.543 56.287 -0.615 0.000 1.000 585 K CB 0.239 32.674 32.500 -0.108 0.000 1.038 585 K HN 0.727 nan 8.250 nan 0.000 0.430 586 K N 0.000 120.265 120.400 -0.225 0.000 2.780 586 K HA 0.000 4.320 4.320 0.000 0.000 0.191 586 K CA 0.000 56.217 56.287 -0.117 0.000 0.838 586 K CB 0.000 32.452 32.500 -0.081 0.000 1.064 586 K HN 0.000 nan 8.250 nan 0.000 0.543