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 2a0u_1_B DATA FIRST_RESID 17 DATA SEQUENCE TLESIKYTPG SLRLLDQRKL PLETVFDDVL TVEDIWSAIK EXRVRGAPAI DATA SEQUENCE AVSAALGIAV ATQRKAANGE LKSGREVQTF LLTSCDFVXT SRPTAVNLFN DATA SEQUENCE CLRDLKAQVD KLDPTKAAAE VAQAFVELAE AVYTNDVAFN EGIXRHGAAH DATA SEQUENCE ILAAAKAEGR DKVSILTICN TGALATSRYG TALGVVRQLF YDGKLERVYA DATA SEQUENCE CETRPWNQGA RLTVYECVQE DIPCTLICDG AASSLXLNRK IDAVVVGADR DATA SEQUENCE ICQNGDTANK IGTYNLAVSA KFHGVKLYVA APTTTLDVKT ASGNHVEIEE DATA SEQUENCE REPTEITTNL VTKQRVVADG PHLSIWNPVF DITPSELITG GIITEKGVQA DATA SEQUENCE PAASAPYYDI ASIIAQA 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 17 T HA 0.000 nan 4.350 nan 0.000 0.228 17 T C 0.000 174.760 174.700 0.100 0.000 1.109 17 T CA 0.000 62.139 62.100 0.066 0.000 1.349 17 T CB 0.000 68.899 68.868 0.051 0.000 0.612 18 L N 1.383 122.700 121.223 0.157 0.000 3.194 18 L HA 0.022 4.358 4.340 -0.006 0.000 0.444 18 L C -0.527 176.447 176.870 0.173 0.000 1.125 18 L CA 0.244 55.205 54.840 0.202 0.000 1.036 18 L CB -1.205 40.949 42.059 0.159 0.000 1.847 18 L HN 0.788 nan 8.230 nan 0.000 0.506 19 E N -0.820 119.499 120.200 0.199 0.000 2.166 19 E HA 0.661 5.008 4.350 -0.006 0.000 0.275 19 E C 0.774 177.526 176.600 0.253 0.000 0.941 19 E CA -0.267 56.243 56.400 0.184 0.000 0.784 19 E CB 1.540 31.335 29.700 0.159 0.000 1.115 19 E HN 0.394 nan 8.360 nan 0.000 0.399 20 S N 3.244 119.054 115.700 0.183 0.000 2.489 20 S HA 0.047 4.513 4.470 -0.006 0.000 0.228 20 S C 0.785 175.516 174.600 0.218 0.000 0.995 20 S CA 0.096 58.387 58.200 0.151 0.000 0.934 20 S CB -0.362 62.889 63.200 0.084 0.000 0.771 20 S HN 0.550 nan 8.310 nan 0.000 0.522 21 I N 1.601 122.318 120.570 0.244 0.000 2.382 21 I HA 0.372 4.539 4.170 -0.006 0.000 0.286 21 I C -0.434 175.823 176.117 0.233 0.000 1.002 21 I CA -0.406 61.041 61.300 0.246 0.000 1.135 21 I CB 1.777 39.927 38.000 0.251 0.000 1.288 21 I HN -0.082 nan 8.210 nan 0.000 0.448 22 K N 6.475 126.998 120.400 0.206 0.000 2.347 22 K HA 0.341 4.658 4.320 -0.006 0.000 0.262 22 K C -1.475 175.171 176.600 0.077 0.000 1.052 22 K CA -0.679 55.654 56.287 0.076 0.000 0.946 22 K CB 1.395 33.846 32.500 -0.081 0.000 1.220 22 K HN 0.414 nan 8.250 nan 0.000 0.450 23 Y N 1.475 121.705 120.300 -0.117 0.000 2.364 23 Y HA 0.387 4.934 4.550 -0.006 0.000 0.340 23 Y C -0.695 175.117 175.900 -0.146 0.000 0.975 23 Y CA -0.423 57.592 58.100 -0.143 0.000 1.089 23 Y CB 2.085 40.409 38.460 -0.227 0.000 1.192 23 Y HN 0.412 nan 8.280 nan 0.000 0.454 24 T N 7.519 121.535 114.554 -0.898 0.000 2.952 24 T HA 0.433 4.779 4.350 -0.006 0.000 0.305 24 T C -3.099 171.029 174.700 -0.953 0.000 1.064 24 T CA -2.186 59.441 62.100 -0.789 0.000 1.008 24 T CB 1.406 70.058 68.868 -0.360 0.000 1.078 24 T HN 0.422 nan 8.240 nan 0.000 0.459 25 P HA 0.162 nan 4.420 nan 0.000 0.252 25 P C 0.883 178.050 177.300 -0.221 0.000 1.147 25 P CA 1.812 64.702 63.100 -0.351 0.000 0.779 25 P CB -0.164 31.445 31.700 -0.151 0.000 0.733 26 G N 1.830 110.560 108.800 -0.117 0.000 2.176 26 G HA2 -0.178 3.778 3.960 -0.006 0.000 0.232 26 G HA3 -0.178 3.778 3.960 -0.006 0.000 0.232 26 G C 0.157 175.035 174.900 -0.036 0.000 0.986 26 G CA 0.106 45.184 45.100 -0.037 0.000 0.643 26 G HN 0.830 nan 8.290 nan 0.000 0.522 27 S N -0.812 114.831 115.700 -0.096 0.000 2.603 27 S HA 0.690 5.156 4.470 -0.006 0.000 0.274 27 S C -1.351 173.257 174.600 0.012 0.000 1.168 27 S CA -0.420 57.753 58.200 -0.046 0.000 0.963 27 S CB 1.486 64.634 63.200 -0.088 0.000 1.078 27 S HN 1.444 nan 8.310 nan 0.000 0.477 28 L N 5.118 126.410 121.223 0.114 0.000 2.356 28 L HA 0.725 5.061 4.340 -0.006 0.000 0.277 28 L C -0.818 176.132 176.870 0.133 0.000 0.996 28 L CA -0.130 54.816 54.840 0.176 0.000 0.822 28 L CB 1.506 43.699 42.059 0.224 0.000 1.256 28 L HN 0.772 nan 8.230 nan 0.000 0.413 29 R N 5.406 125.991 120.500 0.141 0.000 2.534 29 R HA 0.703 5.040 4.340 -0.006 0.000 0.301 29 R C -1.464 175.018 176.300 0.304 0.000 0.961 29 R CA -0.730 55.486 56.100 0.194 0.000 0.871 29 R CB 1.884 32.265 30.300 0.135 0.000 1.170 29 R HN 0.579 nan 8.270 nan 0.000 0.446 30 L N 3.817 125.209 121.223 0.282 0.000 2.313 30 L HA 0.393 4.729 4.340 -0.006 0.000 0.283 30 L C -0.508 176.398 176.870 0.061 0.000 1.013 30 L CA -1.200 53.763 54.840 0.205 0.000 0.816 30 L CB 1.682 43.806 42.059 0.109 0.000 1.236 30 L HN 0.363 nan 8.230 nan 0.000 0.419 31 L N 3.180 124.298 121.223 -0.175 0.000 2.455 31 L HA 0.092 4.429 4.340 -0.006 0.000 0.272 31 L C 0.254 176.956 176.870 -0.280 0.000 1.174 31 L CA 0.389 54.836 54.840 -0.655 0.000 0.869 31 L CB 0.327 41.987 42.059 -0.665 0.000 1.130 31 L HN 0.449 nan 8.230 nan 0.000 0.474 32 D N 4.094 124.335 120.400 -0.264 0.000 2.383 32 D HA 0.027 4.663 4.640 -0.006 0.000 0.245 32 D C 0.654 176.889 176.300 -0.108 0.000 1.263 32 D CA 0.272 54.200 54.000 -0.120 0.000 0.936 32 D CB 0.678 41.423 40.800 -0.092 0.000 1.053 32 D HN 0.673 nan 8.370 nan 0.000 0.507 33 Q N 2.299 122.090 119.800 -0.015 0.000 2.488 33 Q HA -0.041 4.295 4.340 -0.006 0.000 0.211 33 Q C 1.479 177.497 176.000 0.031 0.000 0.967 33 Q CA 0.498 56.326 55.803 0.042 0.000 0.926 33 Q CB 0.411 29.253 28.738 0.173 0.000 0.992 33 Q HN 0.412 nan 8.270 nan 0.000 0.506 34 R N 0.519 121.030 120.500 0.019 0.000 2.148 34 R HA -0.038 4.299 4.340 -0.006 0.000 0.223 34 R C 1.577 177.723 176.300 -0.257 0.000 1.088 34 R CA 0.852 56.843 56.100 -0.181 0.000 0.985 34 R CB 0.101 30.388 30.300 -0.021 0.000 0.880 34 R HN 0.097 nan 8.270 nan 0.000 0.451 35 K N 0.164 120.453 120.400 -0.185 0.000 2.361 35 K HA 0.163 4.480 4.320 -0.006 0.000 0.194 35 K C 0.336 176.807 176.600 -0.215 0.000 1.032 35 K CA -0.033 56.146 56.287 -0.180 0.000 1.048 35 K CB 0.374 32.793 32.500 -0.135 0.000 0.842 35 K HN 0.041 nan 8.250 nan 0.000 0.526 36 L N 2.713 123.778 121.223 -0.263 0.000 2.467 36 L HA 0.048 4.384 4.340 -0.006 0.000 0.270 36 L C -1.383 175.308 176.870 -0.297 0.000 1.205 36 L CA -1.161 53.471 54.840 -0.347 0.000 0.828 36 L CB 0.380 42.173 42.059 -0.443 0.000 1.101 36 L HN -0.047 nan 8.230 nan 0.000 0.479 37 P HA -0.009 nan 4.420 nan 0.000 0.251 37 P C 1.300 178.481 177.300 -0.200 0.000 1.223 37 P CA 0.170 63.056 63.100 -0.357 0.000 0.796 37 P CB 0.466 32.084 31.700 -0.136 0.000 1.068 38 L N -0.054 121.081 121.223 -0.146 0.000 2.093 38 L HA 0.080 4.416 4.340 -0.006 0.000 0.208 38 L C 1.186 178.007 176.870 -0.082 0.000 1.085 38 L CA 1.491 56.279 54.840 -0.088 0.000 0.755 38 L CB -1.192 40.819 42.059 -0.080 0.000 0.904 38 L HN 0.152 nan 8.230 nan 0.000 0.435 39 E N -1.203 118.926 120.200 -0.118 0.000 2.272 39 E HA 0.284 4.630 4.350 -0.006 0.000 0.269 39 E C -0.998 175.527 176.600 -0.126 0.000 0.877 39 E CA -0.225 56.119 56.400 -0.093 0.000 0.755 39 E CB 1.844 31.494 29.700 -0.083 0.000 1.192 39 E HN -0.118 nan 8.360 nan 0.000 0.422 40 T N 2.820 117.329 114.554 -0.075 0.000 2.874 40 T HA 0.369 4.715 4.350 -0.006 0.000 0.321 40 T C -0.836 173.832 174.700 -0.052 0.000 1.075 40 T CA -0.446 61.604 62.100 -0.083 0.000 0.966 40 T CB 0.549 69.431 68.868 0.023 0.000 1.001 40 T HN 0.123 nan 8.240 nan 0.000 0.476 41 V N 4.234 124.052 119.914 -0.160 0.000 2.540 41 V HA 0.578 4.694 4.120 -0.006 0.000 0.302 41 V C -0.863 175.096 176.094 -0.225 0.000 1.035 41 V CA -0.981 61.268 62.300 -0.085 0.000 0.873 41 V CB 1.555 33.343 31.823 -0.058 0.000 0.992 41 V HN 0.741 nan 8.190 nan 0.000 0.428 42 F N 2.259 122.218 119.950 0.016 0.000 2.458 42 F HA 0.558 5.082 4.527 -0.006 0.000 0.336 42 F C 0.309 176.125 175.800 0.027 0.000 1.114 42 F CA -0.477 57.538 58.000 0.025 0.000 0.987 42 F CB 1.672 40.687 39.000 0.025 0.000 1.130 42 F HN 0.422 nan 8.300 nan 0.000 0.458 43 D N 2.429 122.942 120.400 0.188 0.000 2.256 43 D HA 0.167 4.804 4.640 -0.006 0.000 0.246 43 D C -0.938 175.445 176.300 0.139 0.000 1.042 43 D CA -0.491 53.588 54.000 0.130 0.000 0.841 43 D CB 1.852 42.702 40.800 0.084 0.000 1.223 43 D HN 0.386 nan 8.370 nan 0.000 0.470 44 D N 0.796 121.262 120.400 0.110 0.000 2.425 44 D HA 0.094 4.730 4.640 -0.006 0.000 0.247 44 D C -0.086 176.273 176.300 0.099 0.000 1.147 44 D CA 0.067 54.124 54.000 0.096 0.000 0.879 44 D CB 1.450 42.293 40.800 0.071 0.000 1.179 44 D HN -0.042 nan 8.370 nan 0.000 0.456 45 V N 4.543 124.522 119.914 0.108 0.000 2.318 45 V HA 0.133 4.250 4.120 -0.006 0.000 0.271 45 V C 1.195 177.356 176.094 0.111 0.000 1.030 45 V CA -0.229 62.140 62.300 0.114 0.000 0.844 45 V CB 0.946 32.844 31.823 0.125 0.000 1.015 45 V HN 0.457 nan 8.190 nan 0.000 0.460 46 L N 3.386 124.671 121.223 0.103 0.000 2.537 46 L HA 0.233 4.570 4.340 -0.006 0.000 0.224 46 L C 1.139 178.073 176.870 0.106 0.000 1.065 46 L CA 0.434 55.329 54.840 0.091 0.000 0.860 46 L CB 0.542 42.642 42.059 0.068 0.000 1.086 46 L HN 0.770 nan 8.230 nan 0.000 0.482 47 T N -4.739 109.891 114.554 0.127 0.000 2.907 47 T HA 0.384 4.730 4.350 -0.006 0.000 0.290 47 T C 0.891 175.712 174.700 0.202 0.000 1.066 47 T CA -0.585 61.609 62.100 0.156 0.000 1.012 47 T CB 2.143 71.090 68.868 0.132 0.000 1.184 47 T HN -0.258 nan 8.240 nan 0.000 0.522 48 V N 0.550 120.612 119.914 0.247 0.000 2.626 48 V HA -0.074 4.042 4.120 -0.006 0.000 0.252 48 V C 2.699 179.040 176.094 0.413 0.000 1.067 48 V CA 2.036 64.511 62.300 0.292 0.000 1.081 48 V CB -1.018 30.950 31.823 0.242 0.000 0.686 48 V HN 1.046 nan 8.190 nan 0.000 0.468 49 E N 0.144 120.542 120.200 0.329 0.000 2.106 49 E HA -0.239 4.108 4.350 -0.006 0.000 0.192 49 E C 1.799 178.590 176.600 0.319 0.000 0.984 49 E CA 1.273 57.884 56.400 0.352 0.000 0.806 49 E CB 0.008 29.807 29.700 0.165 0.000 0.750 49 E HN 0.579 nan 8.360 nan 0.000 0.458 50 D N 0.439 120.979 120.400 0.232 0.000 2.117 50 D HA -0.155 4.482 4.640 -0.006 0.000 0.197 50 D C 1.874 178.283 176.300 0.183 0.000 0.987 50 D CA 0.709 54.821 54.000 0.186 0.000 0.829 50 D CB -0.134 40.753 40.800 0.145 0.000 0.961 50 D HN 0.232 nan 8.370 nan 0.000 0.460 51 I N -0.488 120.195 120.570 0.189 0.000 2.353 51 I HA -0.107 4.060 4.170 -0.006 0.000 0.248 51 I C 2.022 178.197 176.117 0.096 0.000 1.119 51 I CA 0.849 62.226 61.300 0.128 0.000 1.417 51 I CB -0.256 37.813 38.000 0.115 0.000 1.078 51 I HN 0.084 nan 8.210 nan 0.000 0.421 52 W N 0.716 121.991 121.300 -0.041 0.000 2.335 52 W HA -0.248 4.408 4.660 -0.007 0.000 0.311 52 W C 2.640 179.106 176.519 -0.089 0.000 1.213 52 W CA 2.193 59.432 57.345 -0.177 0.000 1.274 52 W CB -0.292 28.945 29.460 -0.370 0.000 1.148 52 W HN 0.031 nan 8.180 nan 0.000 0.498 53 S N 0.247 116.177 115.700 0.383 0.000 2.383 53 S HA -0.165 4.302 4.470 -0.006 0.000 0.227 53 S C 1.965 176.585 174.600 0.033 0.000 1.026 53 S CA 1.305 59.662 58.200 0.262 0.000 0.981 53 S CB -0.945 62.432 63.200 0.296 0.000 0.818 53 S HN 0.402 nan 8.310 nan 0.000 0.472 54 A N 1.475 124.313 122.820 0.029 0.000 1.908 54 A HA -0.078 4.238 4.320 -0.006 0.000 0.218 54 A C 2.054 179.583 177.584 -0.092 0.000 1.181 54 A CA 1.299 53.330 52.037 -0.009 0.000 0.627 54 A CB -0.682 18.330 19.000 0.020 0.000 0.818 54 A HN 0.492 nan 8.150 nan 0.000 0.445 55 I N -0.916 119.546 120.570 -0.180 0.000 2.233 55 I HA -0.200 3.966 4.170 -0.006 0.000 0.243 55 I C 2.485 178.402 176.117 -0.335 0.000 1.093 55 I CA 1.734 62.874 61.300 -0.266 0.000 1.380 55 I CB -0.193 37.603 38.000 -0.341 0.000 1.067 55 I HN 0.241 nan 8.210 nan 0.000 0.413 56 K N 1.501 121.610 120.400 -0.484 0.000 2.063 56 K HA -0.105 4.211 4.320 -0.006 0.000 0.208 56 K C 0.803 177.267 176.600 -0.226 0.000 1.048 56 K CA 1.291 57.290 56.287 -0.480 0.000 0.928 56 K CB -0.132 31.902 32.500 -0.776 0.000 0.713 56 K HN 0.318 nan 8.250 nan 0.000 0.442 60 V N 3.675 123.580 119.914 -0.014 0.000 2.435 60 V HA 0.632 4.748 4.120 -0.006 0.000 0.290 60 V C -1.183 174.860 176.094 -0.086 0.000 1.030 60 V CA -0.337 61.947 62.300 -0.026 0.000 0.881 60 V CB 1.298 33.114 31.823 -0.013 0.000 0.983 60 V HN 0.361 nan 8.190 nan 0.000 0.445 61 R N 4.132 124.578 120.500 -0.090 0.000 2.810 61 R HA 0.942 5.279 4.340 -0.006 0.000 0.266 61 R C -0.176 176.072 176.300 -0.086 0.000 1.061 61 R CA -0.411 55.596 56.100 -0.155 0.000 0.943 61 R CB 0.503 30.593 30.300 -0.349 0.000 1.237 61 R HN 1.947 nan 8.270 nan 0.000 0.459 62 G N -0.829 107.921 108.800 -0.082 0.000 3.190 62 G HA2 0.339 4.295 3.960 -0.006 0.000 0.686 62 G HA3 0.339 4.295 3.960 -0.006 0.000 0.686 62 G C 0.574 175.464 174.900 -0.017 0.000 1.033 62 G CA 0.072 45.157 45.100 -0.025 0.000 0.797 62 G HN 1.179 nan 8.290 nan 0.000 0.567 63 A N 3.992 126.812 122.820 0.000 0.000 1.869 63 A HA -0.022 4.295 4.320 -0.006 0.000 0.218 63 A C 0.774 178.350 177.584 -0.013 0.000 1.203 63 A CA 2.962 54.993 52.037 -0.011 0.000 0.638 63 A CB -1.185 17.811 19.000 -0.007 0.000 0.831 63 A HN 0.637 nan 8.150 nan 0.000 0.450 64 P HA -0.050 nan 4.420 nan 0.000 0.216 64 P C 1.708 179.009 177.300 0.001 0.000 1.153 64 P CA 1.845 64.951 63.100 0.011 0.000 0.848 64 P CB -0.173 31.544 31.700 0.028 0.000 0.787 65 A N -0.671 122.150 122.820 0.001 0.000 1.933 65 A HA -0.176 4.140 4.320 -0.006 0.000 0.218 65 A C 2.191 179.771 177.584 -0.007 0.000 1.175 65 A CA 1.382 53.424 52.037 0.008 0.000 0.628 65 A CB -1.676 17.333 19.000 0.016 0.000 0.814 65 A HN 0.113 nan 8.150 nan 0.000 0.444 66 I N -0.326 120.222 120.570 -0.036 0.000 2.179 66 I HA -0.291 3.875 4.170 -0.006 0.000 0.242 66 I C 2.964 179.039 176.117 -0.071 0.000 1.088 66 I CA 1.188 62.446 61.300 -0.071 0.000 1.357 66 I CB -0.301 37.637 38.000 -0.103 0.000 1.051 66 I HN 0.354 nan 8.210 nan 0.000 0.409 67 A N 0.154 122.940 122.820 -0.057 0.000 1.898 67 A HA -0.115 4.201 4.320 -0.006 0.000 0.216 67 A C 2.417 179.986 177.584 -0.025 0.000 1.181 67 A CA 1.521 53.527 52.037 -0.053 0.000 0.620 67 A CB -0.867 18.114 19.000 -0.032 0.000 0.819 67 A HN 0.229 nan 8.150 nan 0.000 0.442 68 V N 0.977 120.889 119.914 -0.003 0.000 2.307 68 V HA -0.226 3.890 4.120 -0.006 0.000 0.245 68 V C 3.006 179.114 176.094 0.023 0.000 1.045 68 V CA 2.377 64.690 62.300 0.021 0.000 1.024 68 V CB -0.888 30.968 31.823 0.056 0.000 0.651 68 V HN 0.799 nan 8.190 nan 0.000 0.449 69 S N 0.975 116.692 115.700 0.028 0.000 2.402 69 S HA -0.098 4.368 4.470 -0.006 0.000 0.229 69 S C 2.075 176.688 174.600 0.023 0.000 1.021 69 S CA 1.210 59.431 58.200 0.034 0.000 0.974 69 S CB -0.463 62.761 63.200 0.040 0.000 0.800 69 S HN 0.550 nan 8.310 nan 0.000 0.484 70 A N 2.230 125.049 122.820 -0.002 0.000 1.877 70 A HA 0.304 4.621 4.320 -0.006 0.000 0.216 70 A C 2.558 180.175 177.584 0.055 0.000 1.186 70 A CA 1.740 53.778 52.037 0.002 0.000 0.620 70 A CB -1.495 17.472 19.000 -0.055 0.000 0.822 70 A HN 0.842 nan 8.150 nan 0.000 0.443 71 A N -0.774 122.067 122.820 0.036 0.000 1.898 71 A HA 0.034 4.351 4.320 -0.006 0.000 0.216 71 A C 2.013 179.632 177.584 0.058 0.000 1.181 71 A CA 1.663 53.731 52.037 0.052 0.000 0.620 71 A CB -0.527 18.437 19.000 -0.060 0.000 0.819 71 A HN 0.384 nan 8.150 nan 0.000 0.442 72 L N -0.093 121.115 121.223 -0.026 0.000 2.093 72 L HA -0.018 4.318 4.340 -0.006 0.000 0.208 72 L C 2.732 179.645 176.870 0.073 0.000 1.085 72 L CA 1.791 56.580 54.840 -0.084 0.000 0.755 72 L CB -1.247 40.686 42.059 -0.210 0.000 0.904 72 L HN 0.397 nan 8.230 nan 0.000 0.435 73 G N -0.511 108.350 108.800 0.101 0.000 2.421 73 G HA2 -0.228 3.729 3.960 -0.006 0.000 0.216 73 G HA3 -0.228 3.729 3.960 -0.006 0.000 0.216 73 G C 1.705 176.712 174.900 0.179 0.000 1.171 73 G CA 0.937 46.120 45.100 0.139 0.000 0.775 73 G HN 0.368 nan 8.290 nan 0.000 0.543 74 I N 1.421 122.111 120.570 0.200 0.000 2.226 74 I HA -0.158 4.009 4.170 -0.006 0.000 0.245 74 I C 3.291 179.563 176.117 0.259 0.000 1.100 74 I CA 0.940 62.366 61.300 0.210 0.000 1.374 74 I CB -0.215 37.892 38.000 0.178 0.000 1.057 74 I HN 0.242 nan 8.210 nan 0.000 0.413 75 A N 0.420 123.488 122.820 0.413 0.000 1.877 75 A HA -0.154 4.162 4.320 -0.006 0.000 0.216 75 A C 2.448 180.195 177.584 0.271 0.000 1.186 75 A CA 1.863 54.168 52.037 0.447 0.000 0.620 75 A CB -0.973 18.240 19.000 0.355 0.000 0.822 75 A HN 0.231 nan 8.150 nan 0.000 0.443 76 V N -0.246 119.808 119.914 0.233 0.000 2.307 76 V HA -0.207 3.909 4.120 -0.006 0.000 0.245 76 V C 3.069 179.254 176.094 0.151 0.000 1.045 76 V CA 1.877 64.296 62.300 0.198 0.000 1.024 76 V CB -1.201 30.747 31.823 0.209 0.000 0.651 76 V HN 0.619 nan 8.190 nan 0.000 0.449 77 A N -0.127 122.792 122.820 0.166 0.000 1.908 77 A HA -0.232 4.084 4.320 -0.006 0.000 0.218 77 A C 2.390 180.042 177.584 0.113 0.000 1.181 77 A CA 2.610 54.739 52.037 0.154 0.000 0.627 77 A CB -0.943 18.189 19.000 0.220 0.000 0.818 77 A HN 0.525 nan 8.150 nan 0.000 0.445 78 T N -0.700 113.944 114.554 0.150 0.000 2.812 78 T HA -0.145 4.201 4.350 -0.006 0.000 0.264 78 T C 2.063 176.771 174.700 0.014 0.000 1.042 78 T CA 1.391 63.532 62.100 0.068 0.000 1.140 78 T CB -0.239 68.701 68.868 0.118 0.000 0.870 78 T HN 0.609 nan 8.240 nan 0.000 0.445 79 Q N 0.778 120.621 119.800 0.070 0.000 2.124 79 Q HA -0.125 4.211 4.340 -0.006 0.000 0.202 79 Q C 2.503 178.516 176.000 0.020 0.000 0.977 79 Q CA 1.199 57.036 55.803 0.057 0.000 0.850 79 Q CB -0.041 28.754 28.738 0.095 0.000 0.901 79 Q HN 0.393 nan 8.270 nan 0.000 0.429 80 R N 0.210 120.722 120.500 0.020 0.000 2.075 80 R HA -0.115 4.221 4.340 -0.006 0.000 0.232 80 R C 1.949 178.224 176.300 -0.042 0.000 1.126 80 R CA 1.556 57.655 56.100 -0.002 0.000 0.963 80 R CB 0.122 30.431 30.300 0.014 0.000 0.858 80 R HN 0.108 nan 8.270 nan 0.000 0.435 81 K N -0.464 119.884 120.400 -0.086 0.000 2.155 81 K HA -0.003 4.313 4.320 -0.006 0.000 0.203 81 K C 1.903 178.424 176.600 -0.131 0.000 1.052 81 K CA 1.049 57.242 56.287 -0.156 0.000 0.948 81 K CB 0.077 32.381 32.500 -0.326 0.000 0.728 81 K HN 0.178 nan 8.250 nan 0.000 0.448 82 A N 1.218 123.980 122.820 -0.096 0.000 2.014 82 A HA 0.033 4.349 4.320 -0.006 0.000 0.218 82 A C 2.256 179.816 177.584 -0.041 0.000 1.163 82 A CA 1.409 53.408 52.037 -0.064 0.000 0.652 82 A CB -0.349 18.630 19.000 -0.035 0.000 0.808 82 A HN 0.288 nan 8.150 nan 0.000 0.449 83 A N 1.533 124.333 122.820 -0.032 0.000 1.872 83 A HA -0.120 4.196 4.320 -0.006 0.000 0.214 83 A C 1.643 179.211 177.584 -0.027 0.000 1.187 83 A CA 1.556 53.580 52.037 -0.022 0.000 0.614 83 A CB -0.540 18.452 19.000 -0.013 0.000 0.826 83 A HN 0.676 nan 8.150 nan 0.000 0.442 84 N N -0.775 117.903 118.700 -0.036 0.000 2.370 84 N HA 0.247 4.984 4.740 -0.006 0.000 0.198 84 N C 0.898 176.383 175.510 -0.042 0.000 1.156 84 N CA 0.905 53.934 53.050 -0.035 0.000 0.839 84 N CB -0.329 38.137 38.487 -0.034 0.000 0.989 84 N HN 0.800 nan 8.380 nan 0.000 0.468 85 G N 0.179 108.950 108.800 -0.048 0.000 2.143 85 G HA2 -0.334 3.622 3.960 -0.006 0.000 0.248 85 G HA3 -0.334 3.622 3.960 -0.006 0.000 0.248 85 G C 0.628 175.489 174.900 -0.065 0.000 0.991 85 G CA 0.478 45.548 45.100 -0.049 0.000 0.689 85 G HN 0.485 nan 8.290 nan 0.000 0.522 86 E N -0.868 119.280 120.200 -0.088 0.000 2.152 86 E HA 0.109 4.456 4.350 -0.006 0.000 0.192 86 E C 1.010 177.524 176.600 -0.143 0.000 0.983 86 E CA 0.477 56.809 56.400 -0.114 0.000 0.818 86 E CB 0.103 29.719 29.700 -0.139 0.000 0.758 86 E HN 0.559 nan 8.360 nan 0.000 0.467 87 L N 1.380 122.510 121.223 -0.154 0.000 2.276 87 L HA 0.212 4.548 4.340 -0.006 0.000 0.286 87 L C 0.952 177.774 176.870 -0.081 0.000 1.024 87 L CA -0.363 54.393 54.840 -0.141 0.000 0.826 87 L CB 1.450 43.394 42.059 -0.191 0.000 1.211 87 L HN -0.110 nan 8.230 nan 0.000 0.422 88 K N 1.034 121.399 120.400 -0.058 0.000 2.021 88 K HA 0.012 4.328 4.320 -0.006 0.000 0.205 88 K C 0.971 177.555 176.600 -0.027 0.000 1.047 88 K CA 0.887 57.151 56.287 -0.038 0.000 0.943 88 K CB 0.151 32.633 32.500 -0.030 0.000 0.725 88 K HN 0.697 nan 8.250 nan 0.000 0.439 89 S N -1.020 114.668 115.700 -0.021 0.000 2.745 89 S HA 0.365 4.832 4.470 -0.006 0.000 0.292 89 S C 1.228 175.825 174.600 -0.006 0.000 1.133 89 S CA -0.534 57.660 58.200 -0.010 0.000 0.998 89 S CB 1.542 64.739 63.200 -0.005 0.000 1.087 89 S HN 0.206 nan 8.310 nan 0.000 0.551 90 G N 0.452 109.254 108.800 0.002 0.000 2.421 90 G HA2 -0.132 3.824 3.960 -0.006 0.000 0.217 90 G HA3 -0.132 3.824 3.960 -0.006 0.000 0.217 90 G C 1.488 176.397 174.900 0.015 0.000 1.143 90 G CA 0.617 45.723 45.100 0.010 0.000 0.784 90 G HN 0.897 nan 8.290 nan 0.000 0.541 91 R N 0.351 120.859 120.500 0.013 0.000 2.153 91 R HA 0.210 4.547 4.340 -0.006 0.000 0.218 91 R C 1.946 178.259 176.300 0.022 0.000 1.072 91 R CA 1.305 57.415 56.100 0.017 0.000 0.990 91 R CB -0.372 29.936 30.300 0.014 0.000 0.889 91 R HN 0.325 nan 8.270 nan 0.000 0.452 92 E N 0.795 121.004 120.200 0.015 0.000 2.106 92 E HA -0.110 4.237 4.350 -0.006 0.000 0.192 92 E C 1.953 178.577 176.600 0.040 0.000 0.984 92 E CA 1.380 57.791 56.400 0.019 0.000 0.806 92 E CB 0.140 29.834 29.700 -0.009 0.000 0.750 92 E HN 0.183 nan 8.360 nan 0.000 0.458 93 V N 1.120 121.046 119.914 0.020 0.000 2.307 93 V HA -0.274 3.842 4.120 -0.006 0.000 0.245 93 V C 2.461 178.589 176.094 0.057 0.000 1.045 93 V CA 1.834 64.154 62.300 0.033 0.000 1.024 93 V CB -0.474 31.353 31.823 0.007 0.000 0.651 93 V HN 0.281 nan 8.190 nan 0.000 0.449 94 Q N -0.190 119.631 119.800 0.035 0.000 2.061 94 Q HA -0.231 4.105 4.340 -0.006 0.000 0.204 94 Q C 2.283 178.297 176.000 0.022 0.000 0.984 94 Q CA 2.462 58.279 55.803 0.023 0.000 0.846 94 Q CB -0.211 28.542 28.738 0.026 0.000 0.902 94 Q HN 0.671 nan 8.270 nan 0.000 0.421 95 T N 0.460 115.039 114.554 0.041 0.000 2.746 95 T HA -0.155 4.192 4.350 -0.006 0.000 0.267 95 T C 1.295 176.021 174.700 0.044 0.000 1.039 95 T CA 1.262 63.384 62.100 0.037 0.000 1.142 95 T CB -0.419 68.475 68.868 0.043 0.000 0.866 95 T HN 0.320 nan 8.240 nan 0.000 0.444 96 F N 1.392 121.303 119.950 -0.065 0.000 2.186 96 F HA 0.049 4.576 4.527 -0.001 0.000 0.299 96 F C 1.904 177.639 175.800 -0.109 0.000 1.090 96 F CA 0.933 58.886 58.000 -0.078 0.000 1.307 96 F CB -0.347 38.607 39.000 -0.077 0.000 1.019 96 F HN 0.045 nan 8.300 nan 0.000 0.489 97 L N -0.496 120.692 121.223 -0.059 0.000 2.056 97 L HA -0.231 4.105 4.340 -0.006 0.000 0.207 97 L C 2.398 179.134 176.870 -0.223 0.000 1.078 97 L CA 1.147 55.827 54.840 -0.267 0.000 0.749 97 L CB -0.693 41.142 42.059 -0.373 0.000 0.901 97 L HN 0.190 nan 8.230 nan 0.000 0.433 98 L N -0.975 120.177 121.223 -0.119 0.000 2.056 98 L HA -0.171 4.165 4.340 -0.006 0.000 0.207 98 L C 2.545 179.370 176.870 -0.074 0.000 1.078 98 L CA 1.512 56.315 54.840 -0.062 0.000 0.749 98 L CB -0.802 41.243 42.059 -0.022 0.000 0.901 98 L HN 0.260 nan 8.230 nan 0.000 0.433 99 T N -1.665 112.816 114.554 -0.121 0.000 2.951 99 T HA -0.095 4.251 4.350 -0.006 0.000 0.268 99 T C 2.112 176.723 174.700 -0.149 0.000 1.073 99 T CA 1.236 63.261 62.100 -0.125 0.000 1.134 99 T CB -0.022 68.756 68.868 -0.151 0.000 0.884 99 T HN 0.199 nan 8.240 nan 0.000 0.479 100 S N 0.726 116.258 115.700 -0.281 0.000 2.383 100 S HA -0.086 4.380 4.470 -0.006 0.000 0.227 100 S C 2.399 176.989 174.600 -0.017 0.000 1.026 100 S CA 0.625 58.700 58.200 -0.208 0.000 0.981 100 S CB -0.547 62.407 63.200 -0.409 0.000 0.818 100 S HN 0.594 nan 8.310 nan 0.000 0.472 101 C N 1.850 121.126 119.300 -0.040 0.000 2.425 101 C HA -0.060 4.396 4.460 -0.006 0.000 0.277 101 C C 2.416 177.420 174.990 0.023 0.000 1.280 101 C CA 0.419 59.444 59.018 0.012 0.000 1.744 101 C CB -1.169 26.591 27.740 0.034 0.000 1.989 101 C HN 0.542 nan 8.230 nan 0.000 0.491 102 D N 0.113 120.537 120.400 0.041 0.000 2.117 102 D HA -0.101 4.535 4.640 -0.006 0.000 0.198 102 D C 1.747 178.119 176.300 0.120 0.000 0.982 102 D CA 1.013 55.056 54.000 0.072 0.000 0.828 102 D CB -0.527 40.311 40.800 0.064 0.000 0.967 102 D HN 0.497 nan 8.370 nan 0.000 0.464 103 F N 1.835 121.776 119.950 -0.016 0.000 2.146 103 F HA -0.078 4.445 4.527 -0.006 0.000 0.298 103 F C 1.041 176.956 175.800 0.192 0.000 1.096 103 F CA 0.592 58.598 58.000 0.009 0.000 1.275 103 F CB -0.379 38.560 39.000 -0.101 0.000 1.008 103 F HN -0.302 nan 8.300 nan 0.000 0.480 107 S N 2.147 117.715 115.700 -0.221 0.000 2.325 107 S HA 0.154 4.621 4.470 -0.006 0.000 0.213 107 S C 0.828 175.190 174.600 -0.396 0.000 1.031 107 S CA 0.265 58.014 58.200 -0.751 0.000 0.984 107 S CB -0.014 62.513 63.200 -1.122 0.000 0.939 107 S HN 0.430 nan 8.310 nan 0.000 0.438 108 R N 1.444 121.788 120.500 -0.259 0.000 2.532 108 R HA 0.408 4.744 4.340 -0.006 0.000 0.297 108 R C -2.369 173.977 176.300 0.076 0.000 0.984 108 R CA -1.727 54.311 56.100 -0.103 0.000 0.884 108 R CB 2.136 32.357 30.300 -0.131 0.000 1.182 108 R HN 0.284 nan 8.270 nan 0.000 0.442 109 P HA 0.026 nan 4.420 nan 0.000 0.228 109 P C 0.749 178.062 177.300 0.022 0.000 1.166 109 P CA 0.764 63.974 63.100 0.183 0.000 0.812 109 P CB 0.491 32.216 31.700 0.043 0.000 0.857 110 T N 0.487 114.962 114.554 -0.131 0.000 2.732 110 T HA 0.080 4.426 4.350 -0.006 0.000 0.261 110 T C 1.206 175.695 174.700 -0.351 0.000 1.040 110 T CA 1.034 62.901 62.100 -0.388 0.000 1.145 110 T CB -0.808 67.522 68.868 -0.896 0.000 0.866 110 T HN 0.131 nan 8.240 nan 0.000 0.427 111 A N 1.385 124.032 122.820 -0.289 0.000 2.492 111 A HA 0.373 4.690 4.320 -0.006 0.000 0.254 111 A C 1.474 179.100 177.584 0.069 0.000 1.091 111 A CA -0.259 51.691 52.037 -0.145 0.000 0.768 111 A CB 0.249 19.186 19.000 -0.104 0.000 1.028 111 A HN 0.229 nan 8.150 nan 0.000 0.498 112 V N 3.264 123.201 119.914 0.039 0.000 2.951 112 V HA -0.133 3.983 4.120 -0.006 0.000 0.255 112 V C 1.863 178.051 176.094 0.158 0.000 1.088 112 V CA 2.122 64.507 62.300 0.141 0.000 1.109 112 V CB -0.992 30.835 31.823 0.007 0.000 0.724 112 V HN 0.982 nan 8.190 nan 0.000 0.471 113 N N 0.563 119.298 118.700 0.058 0.000 2.060 113 N HA -0.246 4.491 4.740 -0.006 0.000 0.195 113 N C 1.583 177.093 175.510 -0.001 0.000 1.028 113 N CA 1.996 55.060 53.050 0.023 0.000 0.861 113 N CB -0.549 37.938 38.487 0.000 0.000 1.029 113 N HN 0.472 nan 8.380 nan 0.000 0.428 114 L N -0.315 120.866 121.223 -0.071 0.000 2.042 114 L HA -0.106 4.230 4.340 -0.006 0.000 0.210 114 L C 1.479 178.181 176.870 -0.281 0.000 1.076 114 L CA 1.670 56.361 54.840 -0.248 0.000 0.749 114 L CB -0.500 41.273 42.059 -0.477 0.000 0.893 114 L HN 0.109 nan 8.230 nan 0.000 0.432 115 F N -0.693 119.234 119.950 -0.038 0.000 2.187 115 F HA -0.071 4.453 4.527 -0.005 0.000 0.295 115 F C 2.369 178.161 175.800 -0.013 0.000 1.091 115 F CA 1.004 58.988 58.000 -0.026 0.000 1.308 115 F CB -0.854 38.123 39.000 -0.038 0.000 1.030 115 F HN 0.122 nan 8.300 nan 0.000 0.487 116 N N -0.097 118.700 118.700 0.162 0.000 2.104 116 N HA -0.206 4.531 4.740 -0.006 0.000 0.190 116 N C 2.073 177.618 175.510 0.059 0.000 1.024 116 N CA 1.417 54.519 53.050 0.086 0.000 0.853 116 N CB -0.939 37.581 38.487 0.055 0.000 1.008 116 N HN 0.341 nan 8.380 nan 0.000 0.424 117 C N 0.643 119.966 119.300 0.038 0.000 2.462 117 C HA 0.089 4.546 4.460 -0.006 0.000 0.278 117 C C 2.615 177.621 174.990 0.027 0.000 1.253 117 C CA 0.276 59.309 59.018 0.024 0.000 1.713 117 C CB -1.123 26.619 27.740 0.004 0.000 2.049 117 C HN 0.383 nan 8.230 nan 0.000 0.477 118 L N 0.119 121.352 121.223 0.016 0.000 2.156 118 L HA -0.015 4.321 4.340 -0.006 0.000 0.208 118 L C 2.960 179.871 176.870 0.068 0.000 1.095 118 L CA 1.200 56.065 54.840 0.041 0.000 0.770 118 L CB -0.655 41.399 42.059 -0.009 0.000 0.914 118 L HN 0.346 nan 8.230 nan 0.000 0.439 119 R N -0.019 120.523 120.500 0.070 0.000 2.090 119 R HA -0.173 4.163 4.340 -0.006 0.000 0.228 119 R C 1.885 178.225 176.300 0.067 0.000 1.110 119 R CA 1.580 57.726 56.100 0.077 0.000 0.973 119 R CB -0.232 30.121 30.300 0.088 0.000 0.869 119 R HN 0.266 nan 8.270 nan 0.000 0.440 120 D N 0.455 120.891 120.400 0.060 0.000 2.144 120 D HA -0.107 4.530 4.640 -0.006 0.000 0.200 120 D C 1.687 178.022 176.300 0.058 0.000 0.978 120 D CA 0.902 54.933 54.000 0.051 0.000 0.833 120 D CB 0.126 40.952 40.800 0.043 0.000 0.961 120 D HN 0.115 nan 8.370 nan 0.000 0.470 121 L N -0.170 121.097 121.223 0.074 0.000 2.156 121 L HA -0.034 4.302 4.340 -0.006 0.000 0.208 121 L C 2.469 179.444 176.870 0.175 0.000 1.095 121 L CA 0.769 55.679 54.840 0.116 0.000 0.770 121 L CB -0.217 41.933 42.059 0.153 0.000 0.914 121 L HN -0.002 nan 8.230 nan 0.000 0.439 122 K N 0.133 120.614 120.400 0.134 0.000 2.057 122 K HA -0.140 4.176 4.320 -0.006 0.000 0.207 122 K C 2.216 178.868 176.600 0.087 0.000 1.049 122 K CA 1.375 57.726 56.287 0.107 0.000 0.931 122 K CB -0.205 32.341 32.500 0.076 0.000 0.714 122 K HN 0.267 nan 8.250 nan 0.000 0.440 123 A N 1.251 124.115 122.820 0.073 0.000 1.972 123 A HA -0.209 4.107 4.320 -0.006 0.000 0.219 123 A C 1.948 179.570 177.584 0.062 0.000 1.169 123 A CA 1.306 53.377 52.037 0.058 0.000 0.635 123 A CB -0.332 18.696 19.000 0.048 0.000 0.810 123 A HN 0.320 nan 8.150 nan 0.000 0.446 124 Q N -0.682 119.163 119.800 0.076 0.000 2.172 124 Q HA -0.039 4.297 4.340 -0.006 0.000 0.200 124 Q C 2.000 178.061 176.000 0.101 0.000 0.964 124 Q CA 1.261 57.111 55.803 0.077 0.000 0.855 124 Q CB -0.169 28.610 28.738 0.067 0.000 0.918 124 Q HN 0.490 nan 8.270 nan 0.000 0.444 125 V N 1.469 121.463 119.914 0.134 0.000 2.515 125 V HA -0.221 3.895 4.120 -0.006 0.000 0.250 125 V C 1.504 177.645 176.094 0.079 0.000 1.058 125 V CA 1.653 64.031 62.300 0.131 0.000 1.064 125 V CB -0.381 31.521 31.823 0.132 0.000 0.675 125 V HN 0.316 nan 8.190 nan 0.000 0.461 126 D N 0.887 121.326 120.400 0.065 0.000 2.178 126 D HA -0.155 4.481 4.640 -0.006 0.000 0.201 126 D C 2.001 178.327 176.300 0.043 0.000 0.980 126 D CA 1.312 55.340 54.000 0.047 0.000 0.842 126 D CB -0.118 40.707 40.800 0.041 0.000 0.948 126 D HN 0.620 nan 8.370 nan 0.000 0.472 127 K N -0.109 120.319 120.400 0.047 0.000 2.437 127 K HA 0.113 4.429 4.320 -0.006 0.000 0.198 127 K C 0.318 176.944 176.600 0.043 0.000 1.024 127 K CA -0.392 55.919 56.287 0.040 0.000 1.148 127 K CB 0.397 32.919 32.500 0.037 0.000 0.860 127 K HN -0.081 nan 8.250 nan 0.000 0.515 128 L N 2.126 123.379 121.223 0.051 0.000 2.418 128 L HA 0.159 4.495 4.340 -0.006 0.000 0.265 128 L C -0.121 176.773 176.870 0.040 0.000 1.143 128 L CA -0.009 54.862 54.840 0.052 0.000 0.809 128 L CB 1.018 43.119 42.059 0.069 0.000 1.124 128 L HN 0.103 nan 8.230 nan 0.000 0.456 129 D N 3.854 124.275 120.400 0.036 0.000 2.338 129 D HA 0.163 4.799 4.640 -0.006 0.000 0.255 129 D C -1.632 174.684 176.300 0.028 0.000 1.237 129 D CA -1.507 52.510 54.000 0.029 0.000 0.883 129 D CB 1.149 41.964 40.800 0.026 0.000 1.087 129 D HN 0.264 nan 8.370 nan 0.000 0.485 130 P HA -0.056 nan 4.420 nan 0.000 0.231 130 P C 1.168 178.478 177.300 0.017 0.000 1.168 130 P CA 0.482 63.595 63.100 0.021 0.000 0.779 130 P CB 0.312 32.023 31.700 0.020 0.000 0.844 131 T N -1.323 113.241 114.554 0.015 0.000 3.085 131 T HA 0.037 4.384 4.350 -0.006 0.000 0.263 131 T C 0.937 175.644 174.700 0.012 0.000 1.127 131 T CA 0.279 62.386 62.100 0.012 0.000 1.103 131 T CB -0.393 68.482 68.868 0.011 0.000 0.921 131 T HN 0.071 nan 8.240 nan 0.000 0.510 132 K N 1.149 121.558 120.400 0.015 0.000 2.156 132 K HA 0.495 4.812 4.320 -0.006 0.000 0.242 132 K C 0.425 177.032 176.600 0.013 0.000 1.033 132 K CA -0.304 55.992 56.287 0.016 0.000 0.878 132 K CB 0.279 32.791 32.500 0.021 0.000 1.057 132 K HN 0.263 nan 8.250 nan 0.000 0.505 133 A N 0.645 123.472 122.820 0.012 0.000 2.425 133 A HA 0.230 4.547 4.320 -0.006 0.000 0.242 133 A C 1.173 178.763 177.584 0.009 0.000 1.077 133 A CA 0.643 52.685 52.037 0.008 0.000 0.781 133 A CB 0.299 19.304 19.000 0.007 0.000 1.020 133 A HN 0.831 nan 8.150 nan 0.000 0.494 134 A N 1.804 124.625 122.820 0.001 0.000 1.940 134 A HA 0.089 4.406 4.320 -0.006 0.000 0.219 134 A C 2.301 179.888 177.584 0.004 0.000 1.176 134 A CA 2.424 54.459 52.037 -0.003 0.000 0.631 134 A CB -0.929 18.059 19.000 -0.020 0.000 0.814 134 A HN 1.707 nan 8.150 nan 0.000 0.446 135 A N -0.843 121.981 122.820 0.007 0.000 2.014 135 A HA -0.071 4.245 4.320 -0.006 0.000 0.218 135 A C 1.958 179.560 177.584 0.030 0.000 1.163 135 A CA 1.586 53.632 52.037 0.016 0.000 0.652 135 A CB -0.367 18.639 19.000 0.011 0.000 0.808 135 A HN 0.655 nan 8.150 nan 0.000 0.449 136 E N -0.287 119.930 120.200 0.028 0.000 2.072 136 E HA -0.090 4.256 4.350 -0.006 0.000 0.190 136 E C 1.773 178.404 176.600 0.050 0.000 0.982 136 E CA 1.183 57.605 56.400 0.036 0.000 0.803 136 E CB -0.002 29.715 29.700 0.028 0.000 0.755 136 E HN 0.334 nan 8.360 nan 0.000 0.453 137 V N 0.964 120.908 119.914 0.049 0.000 2.453 137 V HA -0.188 3.928 4.120 -0.006 0.000 0.247 137 V C 2.322 178.474 176.094 0.097 0.000 1.048 137 V CA 1.610 63.950 62.300 0.066 0.000 1.049 137 V CB -0.544 31.308 31.823 0.048 0.000 0.672 137 V HN 0.375 nan 8.190 nan 0.000 0.457 138 A N -0.230 122.640 122.820 0.083 0.000 1.898 138 A HA -0.253 4.063 4.320 -0.006 0.000 0.216 138 A C 2.190 179.869 177.584 0.159 0.000 1.181 138 A CA 1.942 54.047 52.037 0.113 0.000 0.620 138 A CB -0.490 18.553 19.000 0.070 0.000 0.819 138 A HN 0.507 nan 8.150 nan 0.000 0.442 139 Q N 0.002 119.869 119.800 0.112 0.000 2.167 139 Q HA 0.006 4.342 4.340 -0.006 0.000 0.202 139 Q C 1.966 178.029 176.000 0.106 0.000 0.970 139 Q CA 1.917 57.781 55.803 0.102 0.000 0.855 139 Q CB -0.604 28.174 28.738 0.067 0.000 0.911 139 Q HN 0.549 nan 8.270 nan 0.000 0.438 140 A N -0.509 122.378 122.820 0.112 0.000 1.902 140 A HA -0.148 4.168 4.320 -0.006 0.000 0.217 140 A C 1.972 179.632 177.584 0.126 0.000 1.181 140 A CA 1.374 53.472 52.037 0.102 0.000 0.623 140 A CB -0.940 18.120 19.000 0.099 0.000 0.818 140 A HN 0.558 nan 8.150 nan 0.000 0.443 141 F N 0.349 120.321 119.950 0.037 0.000 2.206 141 F HA -0.092 4.431 4.527 -0.007 0.000 0.298 141 F C 2.208 178.026 175.800 0.031 0.000 1.090 141 F CA 1.536 59.558 58.000 0.037 0.000 1.323 141 F CB -0.117 38.913 39.000 0.049 0.000 1.028 141 F HN 0.024 nan 8.300 nan 0.000 0.492 142 V N 0.562 120.571 119.914 0.158 0.000 2.287 142 V HA -0.337 3.780 4.120 -0.006 0.000 0.248 142 V C 2.201 178.271 176.094 -0.040 0.000 1.053 142 V CA 2.445 64.790 62.300 0.075 0.000 1.027 142 V CB -0.665 31.245 31.823 0.146 0.000 0.646 142 V HN 0.356 nan 8.190 nan 0.000 0.447 143 E N -0.466 119.722 120.200 -0.020 0.000 2.106 143 E HA -0.207 4.139 4.350 -0.006 0.000 0.192 143 E C 2.106 178.646 176.600 -0.100 0.000 0.984 143 E CA 0.973 57.352 56.400 -0.036 0.000 0.806 143 E CB -0.157 29.541 29.700 -0.004 0.000 0.750 143 E HN 0.341 nan 8.360 nan 0.000 0.458 144 L N 0.514 121.634 121.223 -0.171 0.000 2.093 144 L HA -0.121 4.215 4.340 -0.006 0.000 0.208 144 L C 2.255 178.937 176.870 -0.314 0.000 1.085 144 L CA 1.697 56.394 54.840 -0.238 0.000 0.755 144 L CB -0.803 41.074 42.059 -0.303 0.000 0.904 144 L HN 0.070 nan 8.230 nan 0.000 0.435 145 A N -1.021 121.535 122.820 -0.439 0.000 1.897 145 A HA -0.175 4.141 4.320 -0.006 0.000 0.215 145 A C 2.220 179.654 177.584 -0.250 0.000 1.181 145 A CA 1.315 53.125 52.037 -0.379 0.000 0.620 145 A CB -0.433 18.329 19.000 -0.396 0.000 0.821 145 A HN 0.462 nan 8.150 nan 0.000 0.443 146 E N -0.171 119.896 120.200 -0.222 0.000 2.153 146 E HA -0.113 4.233 4.350 -0.006 0.000 0.194 146 E C 2.216 178.782 176.600 -0.057 0.000 0.988 146 E CA 0.824 57.128 56.400 -0.159 0.000 0.811 146 E CB -0.248 29.410 29.700 -0.070 0.000 0.746 146 E HN 0.634 nan 8.360 nan 0.000 0.466 147 A N 1.099 123.872 122.820 -0.078 0.000 1.930 147 A HA -0.147 4.169 4.320 -0.006 0.000 0.217 147 A C 2.503 180.047 177.584 -0.067 0.000 1.175 147 A CA 1.500 53.500 52.037 -0.061 0.000 0.627 147 A CB -0.772 18.186 19.000 -0.070 0.000 0.815 147 A HN 0.262 nan 8.150 nan 0.000 0.443 148 V N -2.941 116.931 119.914 -0.071 0.000 2.626 148 V HA -0.204 3.912 4.120 -0.006 0.000 0.252 148 V C 2.164 178.234 176.094 -0.040 0.000 1.067 148 V CA 2.026 64.292 62.300 -0.057 0.000 1.081 148 V CB -1.167 30.627 31.823 -0.048 0.000 0.686 148 V HN 0.552 nan 8.190 nan 0.000 0.468 149 Y N 3.021 123.241 120.300 -0.133 0.000 2.133 149 Y HA -0.162 4.386 4.550 -0.004 0.000 0.287 149 Y C 2.925 178.761 175.900 -0.106 0.000 1.134 149 Y CA 2.844 60.878 58.100 -0.110 0.000 1.133 149 Y CB -0.563 37.822 38.460 -0.125 0.000 0.987 149 Y HN 0.454 nan 8.280 nan 0.000 0.502 150 T N -1.471 113.129 114.554 0.077 0.000 2.821 150 T HA -0.166 4.181 4.350 -0.006 0.000 0.267 150 T C 1.658 176.233 174.700 -0.207 0.000 1.046 150 T CA 1.454 63.542 62.100 -0.019 0.000 1.139 150 T CB -0.560 68.329 68.868 0.035 0.000 0.871 150 T HN 0.299 nan 8.240 nan 0.000 0.454 151 N N 1.831 120.353 118.700 -0.297 0.000 2.120 151 N HA -0.086 4.650 4.740 -0.006 0.000 0.188 151 N C 1.705 176.625 175.510 -0.983 0.000 1.024 151 N CA 1.642 54.303 53.050 -0.648 0.000 0.852 151 N CB -0.738 37.404 38.487 -0.575 0.000 1.003 151 N HN 0.579 nan 8.380 nan 0.000 0.424 152 D N 0.253 120.352 120.400 -0.501 0.000 2.144 152 D HA -0.063 4.573 4.640 -0.006 0.000 0.199 152 D C 1.857 178.063 176.300 -0.157 0.000 0.984 152 D CA 0.495 54.371 54.000 -0.207 0.000 0.834 152 D CB 0.146 40.882 40.800 -0.106 0.000 0.955 152 D HN -0.068 nan 8.370 nan 0.000 0.465 153 V N 0.767 120.534 119.914 -0.244 0.000 2.287 153 V HA -0.270 3.846 4.120 -0.006 0.000 0.248 153 V C 2.554 178.643 176.094 -0.009 0.000 1.053 153 V CA 1.937 64.174 62.300 -0.105 0.000 1.027 153 V CB -0.995 30.751 31.823 -0.128 0.000 0.646 153 V HN 0.346 nan 8.190 nan 0.000 0.447 154 A N -0.459 122.285 122.820 -0.127 0.000 1.933 154 A HA -0.165 4.152 4.320 -0.006 0.000 0.218 154 A C 2.025 179.634 177.584 0.043 0.000 1.175 154 A CA 1.723 53.710 52.037 -0.082 0.000 0.628 154 A CB -0.654 18.243 19.000 -0.171 0.000 0.814 154 A HN 0.448 nan 8.150 nan 0.000 0.444 155 F N 0.961 120.924 119.950 0.021 0.000 2.095 155 F HA -0.155 4.369 4.527 -0.006 0.000 0.298 155 F C 2.213 178.037 175.800 0.039 0.000 1.104 155 F CA 1.234 59.250 58.000 0.027 0.000 1.232 155 F CB -1.031 37.977 39.000 0.013 0.000 0.987 155 F HN 0.235 nan 8.300 nan 0.000 0.475 156 N N 0.281 119.122 118.700 0.235 0.000 2.188 156 N HA -0.132 4.604 4.740 -0.006 0.000 0.184 156 N C 1.756 177.320 175.510 0.091 0.000 1.018 156 N CA 1.009 54.162 53.050 0.171 0.000 0.858 156 N CB -0.483 38.127 38.487 0.204 0.000 0.989 156 N HN 0.407 nan 8.380 nan 0.000 0.426 157 E N 0.024 120.253 120.200 0.049 0.000 2.118 157 E HA -0.102 4.244 4.350 -0.006 0.000 0.195 157 E C 1.949 178.514 176.600 -0.059 0.000 0.992 157 E CA 1.102 57.449 56.400 -0.089 0.000 0.804 157 E CB -0.184 29.472 29.700 -0.072 0.000 0.741 157 E HN 0.408 nan 8.360 nan 0.000 0.458 158 G N 1.290 110.108 108.800 0.030 0.000 2.404 158 G HA2 -0.113 3.843 3.960 -0.006 0.000 0.214 158 G HA3 -0.113 3.843 3.960 -0.006 0.000 0.214 158 G C 1.016 175.958 174.900 0.070 0.000 1.189 158 G CA 0.095 45.215 45.100 0.032 0.000 0.789 158 G HN 0.039 nan 8.290 nan 0.000 0.533 162 H N 0.453 119.528 119.070 0.009 0.000 2.321 162 H HA 0.019 4.571 4.556 -0.006 0.000 0.300 162 H C 2.024 177.362 175.328 0.016 0.000 1.087 162 H CA 2.064 58.123 56.048 0.019 0.000 1.319 162 H CB -0.300 29.471 29.762 0.015 0.000 1.379 162 H HN 0.383 nan 8.280 nan 0.000 0.501 163 G N 0.496 109.360 108.800 0.107 0.000 2.421 163 G HA2 -0.194 3.762 3.960 -0.006 0.000 0.216 163 G HA3 -0.194 3.762 3.960 -0.006 0.000 0.216 163 G C 2.004 176.888 174.900 -0.028 0.000 1.171 163 G CA 1.305 46.406 45.100 0.002 0.000 0.775 163 G HN 0.513 nan 8.290 nan 0.000 0.543 164 A N 0.997 123.807 122.820 -0.015 0.000 1.933 164 A HA 0.312 4.629 4.320 -0.006 0.000 0.218 164 A C 2.763 180.345 177.584 -0.005 0.000 1.175 164 A CA 2.150 54.173 52.037 -0.023 0.000 0.628 164 A CB -0.629 18.359 19.000 -0.020 0.000 0.814 164 A HN 0.743 nan 8.150 nan 0.000 0.444 165 A N -1.183 121.650 122.820 0.022 0.000 1.898 165 A HA -0.108 4.209 4.320 -0.006 0.000 0.216 165 A C 2.008 179.623 177.584 0.051 0.000 1.181 165 A CA 1.900 53.958 52.037 0.034 0.000 0.620 165 A CB -0.764 18.265 19.000 0.048 0.000 0.819 165 A HN 0.751 nan 8.150 nan 0.000 0.442 166 H N -0.492 118.573 119.070 -0.009 0.000 2.333 166 H HA 0.056 4.609 4.556 -0.006 0.000 0.302 166 H C 1.795 177.099 175.328 -0.040 0.000 1.075 166 H CA 1.864 57.912 56.048 -0.001 0.000 1.348 166 H CB -0.140 29.636 29.762 0.023 0.000 1.393 166 H HN 0.397 nan 8.280 nan 0.000 0.509 167 I N -0.286 120.279 120.570 -0.009 0.000 2.226 167 I HA -0.214 3.952 4.170 -0.006 0.000 0.245 167 I C 2.197 178.286 176.117 -0.046 0.000 1.100 167 I CA 0.810 62.058 61.300 -0.087 0.000 1.374 167 I CB -0.133 37.752 38.000 -0.191 0.000 1.057 167 I HN 0.287 nan 8.210 nan 0.000 0.413 168 L N 0.975 122.175 121.223 -0.038 0.000 2.046 168 L HA -0.141 4.196 4.340 -0.006 0.000 0.208 168 L C 2.513 179.362 176.870 -0.034 0.000 1.077 168 L CA 2.081 56.905 54.840 -0.026 0.000 0.747 168 L CB -0.661 41.387 42.059 -0.019 0.000 0.896 168 L HN 0.189 nan 8.230 nan 0.000 0.432 169 A N -0.718 122.066 122.820 -0.059 0.000 1.930 169 A HA -0.030 4.287 4.320 -0.006 0.000 0.217 169 A C 2.418 179.952 177.584 -0.082 0.000 1.175 169 A CA 1.472 53.465 52.037 -0.074 0.000 0.627 169 A CB -1.007 17.932 19.000 -0.102 0.000 0.815 169 A HN 0.540 nan 8.150 nan 0.000 0.443 170 A N -0.234 122.524 122.820 -0.103 0.000 1.969 170 A HA 0.226 4.542 4.320 -0.006 0.000 0.218 170 A C 2.412 179.993 177.584 -0.004 0.000 1.169 170 A CA 1.820 53.826 52.037 -0.051 0.000 0.635 170 A CB -0.758 18.245 19.000 0.006 0.000 0.810 170 A HN 0.956 nan 8.150 nan 0.000 0.445 171 A N -0.331 122.489 122.820 -0.001 0.000 1.970 171 A HA -0.039 4.278 4.320 -0.006 0.000 0.216 171 A C 2.047 179.632 177.584 0.003 0.000 1.170 171 A CA 1.454 53.497 52.037 0.010 0.000 0.645 171 A CB -0.309 18.699 19.000 0.014 0.000 0.816 171 A HN 0.490 nan 8.150 nan 0.000 0.447 172 K N -0.159 120.236 120.400 -0.008 0.000 2.211 172 K HA -0.008 4.309 4.320 -0.006 0.000 0.203 172 K C 2.112 178.708 176.600 -0.007 0.000 1.050 172 K CA 0.870 57.152 56.287 -0.008 0.000 0.945 172 K CB -0.216 32.276 32.500 -0.013 0.000 0.732 172 K HN 0.448 nan 8.250 nan 0.000 0.451 173 A N 1.362 124.176 122.820 -0.009 0.000 1.969 173 A HA -0.145 4.172 4.320 -0.006 0.000 0.218 173 A C 1.604 179.188 177.584 0.000 0.000 1.169 173 A CA 1.227 53.261 52.037 -0.006 0.000 0.635 173 A CB -0.122 18.872 19.000 -0.009 0.000 0.810 173 A HN 0.258 nan 8.150 nan 0.000 0.445 174 E N -1.567 118.635 120.200 0.004 0.000 2.478 174 E HA 0.255 4.601 4.350 -0.006 0.000 0.194 174 E C 0.747 177.352 176.600 0.007 0.000 1.045 174 E CA 0.260 56.665 56.400 0.008 0.000 0.868 174 E CB 0.040 29.748 29.700 0.014 0.000 0.885 174 E HN 0.712 nan 8.360 nan 0.000 0.505 175 G N 2.057 110.860 108.800 0.005 0.000 2.207 175 G HA2 -0.249 3.708 3.960 -0.006 0.000 0.216 175 G HA3 -0.249 3.708 3.960 -0.006 0.000 0.216 175 G C -0.272 174.632 174.900 0.007 0.000 1.053 175 G CA -0.312 44.791 45.100 0.005 0.000 0.764 175 G HN 0.070 nan 8.290 nan 0.000 0.495 176 R N -0.745 119.760 120.500 0.008 0.000 2.621 176 R HA 0.536 4.872 4.340 -0.006 0.000 0.292 176 R C -0.147 176.158 176.300 0.008 0.000 0.969 176 R CA -0.859 55.248 56.100 0.011 0.000 0.887 176 R CB 1.316 31.626 30.300 0.017 0.000 1.180 176 R HN 0.060 nan 8.270 nan 0.000 0.450 177 D N 0.998 121.404 120.400 0.009 0.000 2.338 177 D HA 0.065 4.701 4.640 -0.006 0.000 0.208 177 D C -0.295 176.009 176.300 0.008 0.000 0.997 177 D CA 1.056 55.060 54.000 0.006 0.000 0.880 177 D CB 0.556 41.358 40.800 0.004 0.000 0.980 177 D HN 0.150 nan 8.370 nan 0.000 0.509 178 K N 0.216 120.625 120.400 0.015 0.000 2.385 178 K HA 0.554 4.870 4.320 -0.006 0.000 0.248 178 K C -0.910 175.707 176.600 0.028 0.000 0.955 178 K CA -0.981 55.318 56.287 0.020 0.000 0.816 178 K CB 3.282 35.797 32.500 0.024 0.000 1.250 178 K HN -0.193 nan 8.250 nan 0.000 0.434 179 V N -1.401 118.532 119.914 0.032 0.000 2.667 179 V HA 0.574 4.690 4.120 -0.006 0.000 0.308 179 V C -0.399 175.733 176.094 0.062 0.000 1.048 179 V CA -0.639 61.686 62.300 0.042 0.000 0.928 179 V CB 1.807 33.647 31.823 0.028 0.000 1.004 179 V HN 0.611 nan 8.190 nan 0.000 0.444 180 S N 5.118 120.871 115.700 0.089 0.000 2.433 180 S HA 0.713 5.180 4.470 -0.006 0.000 0.310 180 S C -0.487 174.201 174.600 0.148 0.000 1.097 180 S CA -0.460 57.830 58.200 0.150 0.000 1.103 180 S CB 0.799 64.129 63.200 0.215 0.000 0.992 180 S HN 0.617 nan 8.310 nan 0.000 0.469 181 I N 3.830 124.495 120.570 0.158 0.000 2.404 181 I HA 0.415 4.582 4.170 -0.006 0.000 0.293 181 I C -0.520 175.707 176.117 0.184 0.000 0.992 181 I CA -0.827 60.550 61.300 0.128 0.000 1.149 181 I CB 1.429 39.469 38.000 0.067 0.000 1.315 181 I HN 0.441 nan 8.210 nan 0.000 0.446 182 L N 6.304 127.612 121.223 0.142 0.000 2.296 182 L HA 0.663 4.999 4.340 -0.006 0.000 0.286 182 L C -0.093 176.835 176.870 0.097 0.000 1.023 182 L CA 0.533 55.452 54.840 0.131 0.000 0.812 182 L CB 1.614 43.708 42.059 0.058 0.000 1.223 182 L HN 0.729 nan 8.230 nan 0.000 0.421 183 T N 4.825 119.434 114.554 0.091 0.000 2.864 183 T HA 0.662 5.009 4.350 -0.006 0.000 0.289 183 T C -1.284 173.452 174.700 0.060 0.000 1.082 183 T CA -0.499 61.642 62.100 0.069 0.000 1.009 183 T CB 1.048 69.951 68.868 0.057 0.000 1.234 183 T HN 0.640 nan 8.240 nan 0.000 0.526 184 I N 0.707 121.309 120.570 0.053 0.000 2.969 184 I HA 0.583 4.749 4.170 -0.006 0.000 0.307 184 I C 0.343 176.488 176.117 0.045 0.000 1.149 184 I CA -0.291 61.037 61.300 0.047 0.000 1.008 184 I CB 1.667 39.694 38.000 0.043 0.000 1.232 184 I HN 1.117 nan 8.210 nan 0.000 0.435 185 C N 3.366 122.691 119.300 0.043 0.000 0.168 185 C HA -0.236 4.220 4.460 -0.006 0.000 0.017 185 C C -0.417 174.608 174.990 0.058 0.000 0.171 185 C CA 0.280 59.327 59.018 0.047 0.000 0.499 185 C CB -1.296 26.464 27.740 0.034 0.000 3.212 185 C HN 1.019 nan 8.230 nan 0.000 1.118 186 N N 0.351 119.089 118.700 0.062 0.000 2.399 186 N HA 0.508 5.245 4.740 -0.006 0.000 0.284 186 N C -0.092 175.451 175.510 0.055 0.000 1.025 186 N CA 0.517 53.607 53.050 0.066 0.000 0.885 186 N CB 1.574 40.115 38.487 0.091 0.000 1.339 186 N HN 0.968 nan 8.380 nan 0.000 0.487 187 T N -0.206 114.380 114.554 0.053 0.000 3.337 187 T HA 0.332 4.679 4.350 -0.006 0.000 0.299 187 T C 0.784 175.517 174.700 0.056 0.000 0.998 187 T CA -0.490 61.640 62.100 0.051 0.000 0.948 187 T CB 0.318 69.215 68.868 0.048 0.000 1.170 187 T HN 0.383 nan 8.240 nan 0.000 0.508 188 G N 1.012 109.848 108.800 0.059 0.000 2.714 188 G HA2 0.573 4.530 3.960 -0.006 0.000 0.197 188 G HA3 0.573 4.530 3.960 -0.006 0.000 0.197 188 G C 1.325 176.265 174.900 0.067 0.000 1.449 188 G CA -0.216 44.923 45.100 0.066 0.000 1.065 188 G HN 0.365 nan 8.290 nan 0.000 0.575 189 A N -1.289 121.570 122.820 0.065 0.000 2.015 189 A HA 0.063 4.379 4.320 -0.006 0.000 0.219 189 A C 2.325 179.943 177.584 0.057 0.000 1.163 189 A CA 1.165 53.228 52.037 0.043 0.000 0.646 189 A CB -0.375 18.641 19.000 0.027 0.000 0.806 189 A HN 0.318 nan 8.150 nan 0.000 0.448 190 L N -0.919 120.349 121.223 0.076 0.000 2.156 190 L HA -0.000 4.336 4.340 -0.006 0.000 0.208 190 L C 2.678 179.584 176.870 0.059 0.000 1.095 190 L CA 1.776 56.664 54.840 0.079 0.000 0.770 190 L CB -0.770 41.345 42.059 0.093 0.000 0.914 190 L HN 0.382 nan 8.230 nan 0.000 0.439 191 A N -2.009 120.842 122.820 0.052 0.000 2.238 191 A HA 0.233 4.550 4.320 -0.006 0.000 0.210 191 A C 1.115 178.716 177.584 0.028 0.000 1.179 191 A CA 0.898 52.956 52.037 0.035 0.000 0.827 191 A CB -0.569 18.454 19.000 0.037 0.000 0.856 191 A HN 0.437 nan 8.150 nan 0.000 0.488 192 T N -4.782 109.789 114.554 0.028 0.000 2.626 192 T HA 0.437 4.783 4.350 -0.006 0.000 0.279 192 T C 1.205 175.892 174.700 -0.021 0.000 0.983 192 T CA 0.378 62.482 62.100 0.008 0.000 1.059 192 T CB 0.785 69.665 68.868 0.020 0.000 1.396 192 T HN 0.315 nan 8.240 nan 0.000 0.519 193 S N -0.295 115.339 115.700 -0.111 0.000 2.362 193 S HA 0.228 4.694 4.470 -0.006 0.000 0.221 193 S C 0.870 175.348 174.600 -0.205 0.000 1.032 193 S CA 0.036 58.075 58.200 -0.269 0.000 0.973 193 S CB -0.351 62.407 63.200 -0.737 0.000 0.849 193 S HN 0.852 nan 8.310 nan 0.000 0.465 194 R N -1.611 118.779 120.500 -0.184 0.000 2.629 194 R HA 0.427 4.763 4.340 -0.006 0.000 0.266 194 R C -0.827 175.408 176.300 -0.109 0.000 1.051 194 R CA -0.400 55.542 56.100 -0.264 0.000 0.895 194 R CB 0.717 30.746 30.300 -0.450 0.000 1.246 194 R HN 0.247 nan 8.270 nan 0.000 0.459 195 Y N 0.712 121.041 120.300 0.048 0.000 2.769 195 Y HA -0.423 4.123 4.550 -0.006 0.000 0.487 195 Y C 0.936 176.867 175.900 0.052 0.000 1.131 195 Y CA 1.666 59.807 58.100 0.068 0.000 2.888 195 Y CB -1.724 36.781 38.460 0.075 0.000 0.920 195 Y HN 1.067 nan 8.280 nan 0.000 0.553 196 G N -0.951 107.965 108.800 0.194 0.000 2.566 196 G HA2 0.178 4.135 3.960 -0.006 0.000 0.599 196 G HA3 0.178 4.135 3.960 -0.006 0.000 0.599 196 G C 0.248 175.217 174.900 0.115 0.000 1.292 196 G CA 0.223 45.396 45.100 0.121 0.000 0.922 196 G HN 0.963 nan 8.290 nan 0.000 0.514 197 T N -2.556 112.047 114.554 0.081 0.000 3.587 197 T HA 0.593 4.939 4.350 -0.006 0.000 0.221 197 T C 2.629 177.361 174.700 0.053 0.000 0.921 197 T CA 2.237 64.377 62.100 0.067 0.000 1.426 197 T CB -0.629 68.270 68.868 0.053 0.000 1.340 197 T HN 2.060 nan 8.240 nan 0.000 0.423 198 A N 0.852 123.700 122.820 0.046 0.000 1.902 198 A HA 0.176 4.492 4.320 -0.006 0.000 0.217 198 A C 2.309 179.910 177.584 0.029 0.000 1.181 198 A CA 1.445 53.505 52.037 0.039 0.000 0.623 198 A CB -1.039 17.988 19.000 0.045 0.000 0.818 198 A HN 0.449 nan 8.150 nan 0.000 0.443 199 L N -0.168 121.075 121.223 0.033 0.000 2.313 199 L HA 0.119 4.456 4.340 -0.006 0.000 0.214 199 L C 2.307 179.191 176.870 0.022 0.000 1.119 199 L CA 1.439 56.290 54.840 0.019 0.000 0.809 199 L CB -0.666 41.406 42.059 0.023 0.000 0.933 199 L HN 0.315 nan 8.230 nan 0.000 0.449 200 G N -1.146 107.686 108.800 0.053 0.000 2.418 200 G HA2 -0.194 3.762 3.960 -0.006 0.000 0.217 200 G HA3 -0.194 3.762 3.960 -0.006 0.000 0.217 200 G C 1.512 176.424 174.900 0.020 0.000 1.158 200 G CA 1.017 46.160 45.100 0.073 0.000 0.771 200 G HN 0.270 nan 8.290 nan 0.000 0.545 201 V N 0.623 120.542 119.914 0.008 0.000 2.332 201 V HA -0.187 3.929 4.120 -0.006 0.000 0.248 201 V C 3.032 179.105 176.094 -0.034 0.000 1.055 201 V CA 1.545 63.836 62.300 -0.015 0.000 1.038 201 V CB -0.550 31.259 31.823 -0.022 0.000 0.651 201 V HN 0.243 nan 8.190 nan 0.000 0.450 202 V N -0.268 119.626 119.914 -0.034 0.000 2.343 202 V HA -0.276 3.840 4.120 -0.006 0.000 0.247 202 V C 2.616 178.652 176.094 -0.096 0.000 1.051 202 V CA 2.107 64.376 62.300 -0.051 0.000 1.036 202 V CB -0.787 31.006 31.823 -0.050 0.000 0.654 202 V HN 0.461 nan 8.190 nan 0.000 0.451 203 R N -0.460 119.956 120.500 -0.141 0.000 2.083 203 R HA -0.248 4.088 4.340 -0.006 0.000 0.237 203 R C 2.450 178.429 176.300 -0.535 0.000 1.137 203 R CA 1.988 57.877 56.100 -0.352 0.000 0.951 203 R CB -0.357 29.827 30.300 -0.194 0.000 0.851 203 R HN 0.440 nan 8.270 nan 0.000 0.434 204 Q N 0.891 120.578 119.800 -0.187 0.000 2.084 204 Q HA -0.092 4.245 4.340 -0.006 0.000 0.202 204 Q C 1.976 177.955 176.000 -0.036 0.000 0.978 204 Q CA 1.460 57.242 55.803 -0.035 0.000 0.844 204 Q CB -0.183 28.556 28.738 0.003 0.000 0.898 204 Q HN 0.316 nan 8.270 nan 0.000 0.426 205 L N -0.667 120.529 121.223 -0.044 0.000 2.083 205 L HA -0.135 4.201 4.340 -0.006 0.000 0.209 205 L C 2.133 179.006 176.870 0.005 0.000 1.083 205 L CA 1.142 55.974 54.840 -0.014 0.000 0.752 205 L CB -0.501 41.554 42.059 -0.006 0.000 0.899 205 L HN 0.284 nan 8.230 nan 0.000 0.433 206 F N -0.338 119.498 119.950 -0.189 0.000 2.146 206 F HA -0.233 4.290 4.527 -0.006 0.000 0.298 206 F C 2.258 178.015 175.800 -0.072 0.000 1.096 206 F CA 1.329 59.223 58.000 -0.177 0.000 1.275 206 F CB -0.348 38.488 39.000 -0.274 0.000 1.008 206 F HN -0.032 nan 8.300 nan 0.000 0.480 207 Y N 0.712 120.911 120.300 -0.168 0.000 2.242 207 Y HA -0.145 4.402 4.550 -0.006 0.000 0.291 207 Y C 2.159 177.930 175.900 -0.214 0.000 1.137 207 Y CA 1.170 59.116 58.100 -0.256 0.000 1.181 207 Y CB -1.314 37.099 38.460 -0.078 0.000 0.989 207 Y HN 0.103 nan 8.280 nan 0.000 0.527 208 D N -1.051 119.353 120.400 0.007 0.000 2.363 208 D HA 0.088 4.724 4.640 -0.006 0.000 0.220 208 D C 1.784 178.049 176.300 -0.058 0.000 0.994 208 D CA 1.075 55.063 54.000 -0.020 0.000 0.890 208 D CB -0.329 40.468 40.800 -0.005 0.000 0.906 208 D HN 0.387 nan 8.370 nan 0.000 0.530 209 G N 1.257 109.990 108.800 -0.111 0.000 2.198 209 G HA2 -0.285 3.671 3.960 -0.006 0.000 0.257 209 G HA3 -0.285 3.671 3.960 -0.006 0.000 0.257 209 G C 0.894 175.769 174.900 -0.042 0.000 1.042 209 G CA 0.050 45.089 45.100 -0.102 0.000 0.791 209 G HN 0.221 nan 8.290 nan 0.000 0.502 210 K N -1.126 119.261 120.400 -0.023 0.000 2.402 210 K HA 0.308 4.625 4.320 -0.006 0.000 0.204 210 K C 0.522 177.133 176.600 0.019 0.000 1.056 210 K CA -0.304 55.982 56.287 -0.002 0.000 1.069 210 K CB 0.908 33.404 32.500 -0.006 0.000 0.888 210 K HN 0.450 nan 8.250 nan 0.000 0.546 211 L N 1.594 122.844 121.223 0.045 0.000 2.272 211 L HA 0.203 4.539 4.340 -0.006 0.000 0.289 211 L C 1.371 178.281 176.870 0.067 0.000 1.032 211 L CA 0.106 54.986 54.840 0.066 0.000 0.810 211 L CB 1.412 43.535 42.059 0.106 0.000 1.205 211 L HN 0.059 nan 8.230 nan 0.000 0.422 212 E N 4.376 124.603 120.200 0.045 0.000 2.051 212 E HA 0.018 4.364 4.350 -0.006 0.000 0.189 212 E C 0.137 176.737 176.600 0.000 0.000 0.979 212 E CA 0.406 56.826 56.400 0.035 0.000 0.803 212 E CB 0.419 30.146 29.700 0.044 0.000 0.761 212 E HN 0.637 nan 8.360 nan 0.000 0.451 213 R N -0.431 120.055 120.500 -0.023 0.000 2.644 213 R HA 0.256 4.593 4.340 -0.006 0.000 0.257 213 R C -2.164 174.053 176.300 -0.138 0.000 1.082 213 R CA -0.427 55.585 56.100 -0.147 0.000 0.927 213 R CB 1.976 32.103 30.300 -0.288 0.000 1.258 213 R HN 0.035 nan 8.270 nan 0.000 0.459 214 V N 5.069 124.865 119.914 -0.197 0.000 2.394 214 V HA 0.496 4.612 4.120 -0.006 0.000 0.282 214 V C -1.298 174.668 176.094 -0.213 0.000 1.031 214 V CA -0.317 61.912 62.300 -0.118 0.000 0.881 214 V CB 1.045 32.817 31.823 -0.085 0.000 0.982 214 V HN 0.669 nan 8.190 nan 0.000 0.451 215 Y N 5.111 125.403 120.300 -0.014 0.000 2.326 215 Y HA 0.686 5.233 4.550 -0.006 0.000 0.337 215 Y C 0.600 176.495 175.900 -0.007 0.000 1.023 215 Y CA -0.157 57.936 58.100 -0.011 0.000 1.143 215 Y CB 1.619 40.074 38.460 -0.009 0.000 1.183 215 Y HN 0.771 nan 8.280 nan 0.000 0.485 216 A N 3.144 126.027 122.820 0.106 0.000 2.287 216 A HA 0.528 4.844 4.320 -0.006 0.000 0.317 216 A C -0.691 176.934 177.584 0.068 0.000 1.220 216 A CA -0.668 51.409 52.037 0.066 0.000 0.835 216 A CB 0.024 19.039 19.000 0.025 0.000 1.180 216 A HN 0.894 nan 8.150 nan 0.000 0.500 217 C N 1.992 121.329 119.300 0.060 0.000 2.637 217 C HA 0.108 4.564 4.460 -0.006 0.000 0.418 217 C C 2.095 177.106 174.990 0.035 0.000 1.319 217 C CA 0.124 59.169 59.018 0.045 0.000 1.949 217 C CB -0.118 27.644 27.740 0.037 0.000 2.639 217 C HN 1.126 nan 8.230 nan 0.000 0.594 218 E N 1.287 121.503 120.200 0.027 0.000 2.097 218 E HA -0.188 4.159 4.350 -0.006 0.000 0.196 218 E C 0.420 177.033 176.600 0.023 0.000 1.000 218 E CA 1.841 58.252 56.400 0.019 0.000 0.804 218 E CB 0.046 29.752 29.700 0.010 0.000 0.740 218 E HN 0.934 nan 8.360 nan 0.000 0.454 219 T N 1.020 115.588 114.554 0.023 0.000 3.716 219 T HA -0.139 4.208 4.350 -0.006 0.000 0.395 219 T C -0.313 174.404 174.700 0.028 0.000 0.763 219 T CA 0.415 62.530 62.100 0.026 0.000 2.091 219 T CB -1.150 67.740 68.868 0.038 0.000 1.750 219 T HN 0.224 nan 8.240 nan 0.000 0.788 220 R N 1.771 122.279 120.500 0.014 0.000 2.734 220 R HA 0.209 4.545 4.340 -0.006 0.000 0.266 220 R C -1.149 175.153 176.300 0.004 0.000 1.044 220 R CA -1.587 54.519 56.100 0.011 0.000 1.128 220 R CB 0.133 30.435 30.300 0.003 0.000 1.010 220 R HN 0.280 nan 8.270 nan 0.000 0.461 221 P HA -0.001 nan 4.420 nan 0.000 0.252 221 P C 0.921 178.264 177.300 0.071 0.000 1.218 221 P CA 0.395 63.513 63.100 0.031 0.000 0.807 221 P CB 0.131 31.843 31.700 0.020 0.000 1.072 222 W N 1.446 122.693 121.300 -0.089 0.000 2.770 222 W HA 0.127 4.783 4.660 -0.006 0.000 0.256 222 W C -0.054 176.423 176.519 -0.069 0.000 1.291 222 W CA 0.637 57.931 57.345 -0.084 0.000 1.396 222 W CB -0.265 29.132 29.460 -0.105 0.000 1.114 222 W HN -0.085 nan 8.180 nan 0.000 0.637 223 N N 0.586 119.337 118.700 0.084 0.000 2.758 223 N HA -0.246 4.491 4.740 -0.006 0.000 0.248 223 N C 0.572 176.111 175.510 0.049 0.000 1.076 223 N CA 1.327 54.380 53.050 0.006 0.000 0.696 223 N CB -1.770 36.662 38.487 -0.093 0.000 0.979 223 N HN 0.324 nan 8.380 nan 0.000 0.550 224 Q N -0.456 119.459 119.800 0.191 0.000 2.135 224 Q HA -0.002 4.334 4.340 -0.006 0.000 0.204 224 Q C 2.168 178.230 176.000 0.102 0.000 0.981 224 Q CA 1.991 57.921 55.803 0.211 0.000 0.856 224 Q CB -0.281 28.580 28.738 0.206 0.000 0.902 224 Q HN 0.643 nan 8.270 nan 0.000 0.425 225 G N -0.047 108.795 108.800 0.069 0.000 2.404 225 G HA2 -0.161 3.796 3.960 -0.006 0.000 0.214 225 G HA3 -0.161 3.796 3.960 -0.006 0.000 0.214 225 G C 1.450 176.369 174.900 0.031 0.000 1.189 225 G CA 0.699 45.827 45.100 0.047 0.000 0.789 225 G HN 0.444 nan 8.290 nan 0.000 0.533 226 A N 0.355 123.184 122.820 0.015 0.000 1.969 226 A HA 0.076 4.392 4.320 -0.006 0.000 0.218 226 A C 2.454 180.034 177.584 -0.007 0.000 1.169 226 A CA 1.580 53.617 52.037 -0.001 0.000 0.635 226 A CB -0.219 18.771 19.000 -0.016 0.000 0.810 226 A HN 0.365 nan 8.150 nan 0.000 0.445 227 R N -1.254 119.231 120.500 -0.024 0.000 2.123 227 R HA 0.300 4.636 4.340 -0.006 0.000 0.209 227 R C 1.810 178.104 176.300 -0.010 0.000 1.078 227 R CA 0.848 56.914 56.100 -0.056 0.000 1.028 227 R CB -0.132 30.076 30.300 -0.153 0.000 0.939 227 R HN 0.445 nan 8.270 nan 0.000 0.463 228 L N -0.990 120.253 121.223 0.033 0.000 2.349 228 L HA 0.134 4.470 4.340 -0.006 0.000 0.200 228 L C 2.016 178.965 176.870 0.130 0.000 1.064 228 L CA 0.720 55.612 54.840 0.086 0.000 0.821 228 L CB -0.381 41.738 42.059 0.100 0.000 1.027 228 L HN 0.060 nan 8.230 nan 0.000 0.476 229 T N 0.228 114.834 114.554 0.086 0.000 2.737 229 T HA -0.128 4.219 4.350 -0.006 0.000 0.265 229 T C 2.047 176.770 174.700 0.038 0.000 1.038 229 T CA 1.222 63.357 62.100 0.058 0.000 1.144 229 T CB -0.127 68.765 68.868 0.040 0.000 0.866 229 T HN -0.014 nan 8.240 nan 0.000 0.434 230 V N 0.643 120.582 119.914 0.041 0.000 2.287 230 V HA -0.199 3.918 4.120 -0.006 0.000 0.248 230 V C 2.031 178.149 176.094 0.040 0.000 1.053 230 V CA 1.739 64.051 62.300 0.020 0.000 1.027 230 V CB -0.733 31.102 31.823 0.021 0.000 0.646 230 V HN 0.502 nan 8.190 nan 0.000 0.447 231 Y N 1.204 121.484 120.300 -0.034 0.000 2.114 231 Y HA -0.284 4.262 4.550 -0.006 0.000 0.282 231 Y C 2.575 178.459 175.900 -0.026 0.000 1.165 231 Y CA 2.269 60.352 58.100 -0.028 0.000 1.148 231 Y CB -0.245 38.201 38.460 -0.023 0.000 0.972 231 Y HN 0.361 nan 8.280 nan 0.000 0.504 232 E N -1.159 119.046 120.200 0.008 0.000 2.077 232 E HA -0.246 4.100 4.350 -0.006 0.000 0.193 232 E C 2.308 178.822 176.600 -0.143 0.000 0.989 232 E CA 1.465 57.821 56.400 -0.074 0.000 0.800 232 E CB -0.425 29.289 29.700 0.023 0.000 0.746 232 E HN 0.491 nan 8.360 nan 0.000 0.452 233 C N 0.323 119.544 119.300 -0.132 0.000 2.440 233 C HA -0.063 4.393 4.460 -0.006 0.000 0.278 233 C C 2.742 177.611 174.990 -0.203 0.000 1.295 233 C CA 0.160 59.064 59.018 -0.191 0.000 1.738 233 C CB -0.638 26.999 27.740 -0.172 0.000 1.987 233 C HN 0.245 nan 8.230 nan 0.000 0.492 234 V N 0.632 120.439 119.914 -0.179 0.000 2.358 234 V HA -0.209 3.907 4.120 -0.006 0.000 0.246 234 V C 2.601 178.583 176.094 -0.187 0.000 1.047 234 V CA 1.716 63.916 62.300 -0.166 0.000 1.035 234 V CB -0.656 31.084 31.823 -0.138 0.000 0.658 234 V HN 0.526 nan 8.190 nan 0.000 0.452 235 Q N -0.094 119.543 119.800 -0.271 0.000 2.226 235 Q HA -0.156 4.180 4.340 -0.006 0.000 0.204 235 Q C 1.703 177.635 176.000 -0.114 0.000 0.975 235 Q CA 1.214 56.877 55.803 -0.233 0.000 0.866 235 Q CB -0.121 28.414 28.738 -0.338 0.000 0.915 235 Q HN 0.709 nan 8.270 nan 0.000 0.440 236 E N 0.018 120.150 120.200 -0.113 0.000 2.538 236 E HA 0.026 4.372 4.350 -0.006 0.000 0.207 236 E C -0.592 175.962 176.600 -0.076 0.000 1.002 236 E CA -0.180 56.197 56.400 -0.037 0.000 0.952 236 E CB 0.650 30.345 29.700 -0.009 0.000 1.031 236 E HN 0.166 nan 8.360 nan 0.000 0.476 237 D N 0.678 121.005 120.400 -0.122 0.000 2.945 237 D HA -0.205 4.432 4.640 -0.006 0.000 0.225 237 D C -0.195 175.922 176.300 -0.305 0.000 1.158 237 D CA 0.805 54.742 54.000 -0.104 0.000 0.805 237 D CB -1.503 39.332 40.800 0.059 0.000 1.098 237 D HN 0.351 nan 8.370 nan 0.000 0.426 238 I N 2.002 122.216 120.570 -0.592 0.000 2.452 238 I HA 0.081 4.248 4.170 -0.006 0.000 0.287 238 I C -1.552 174.320 176.117 -0.408 0.000 1.079 238 I CA -1.388 59.377 61.300 -0.892 0.000 1.387 238 I CB 0.362 37.857 38.000 -0.843 0.000 1.404 238 I HN -0.275 nan 8.210 nan 0.000 0.522 239 P HA -0.057 nan 4.420 nan 0.000 0.258 239 P C -0.655 176.521 177.300 -0.206 0.000 1.187 239 P CA 0.018 63.021 63.100 -0.162 0.000 0.767 239 P CB 0.494 32.147 31.700 -0.078 0.000 0.770 240 C N 3.799 122.979 119.300 -0.199 0.000 2.698 240 C HA 0.640 5.096 4.460 -0.006 0.000 0.309 240 C C -0.572 174.289 174.990 -0.216 0.000 1.186 240 C CA 0.055 58.945 59.018 -0.213 0.000 1.474 240 C CB 1.534 29.177 27.740 -0.161 0.000 2.020 240 C HN 0.582 nan 8.230 nan 0.000 0.474 241 T N 5.607 119.997 114.554 -0.274 0.000 2.840 241 T HA 0.445 4.791 4.350 -0.006 0.000 0.287 241 T C -0.837 173.838 174.700 -0.041 0.000 0.991 241 T CA -0.240 61.749 62.100 -0.185 0.000 0.964 241 T CB 1.170 69.856 68.868 -0.303 0.000 0.954 241 T HN 0.675 nan 8.240 nan 0.000 0.438 242 L N 6.177 127.398 121.223 -0.004 0.000 2.305 242 L HA 0.744 5.080 4.340 -0.006 0.000 0.281 242 L C -0.515 176.389 176.870 0.056 0.000 1.085 242 L CA -0.302 54.554 54.840 0.026 0.000 0.813 242 L CB 0.116 42.180 42.059 0.008 0.000 1.157 242 L HN 0.695 nan 8.230 nan 0.000 0.436 243 I N 1.356 121.966 120.570 0.067 0.000 2.892 243 I HA 0.560 4.727 4.170 -0.006 0.000 0.306 243 I C -0.641 175.496 176.117 0.034 0.000 1.078 243 I CA -0.756 60.579 61.300 0.057 0.000 1.032 243 I CB 1.735 39.779 38.000 0.073 0.000 1.229 243 I HN 0.446 nan 8.210 nan 0.000 0.435 244 C N 2.987 122.300 119.300 0.022 0.000 2.604 244 C HA 0.136 4.592 4.460 -0.006 0.000 0.396 244 C C 1.675 176.672 174.990 0.012 0.000 1.282 244 C CA -0.103 58.923 59.018 0.014 0.000 2.292 244 C CB 0.050 27.795 27.740 0.008 0.000 2.633 244 C HN 0.855 nan 8.230 nan 0.000 0.620 245 D N 1.774 122.181 120.400 0.011 0.000 2.133 245 D HA -0.101 4.535 4.640 -0.006 0.000 0.195 245 D C 2.093 178.395 176.300 0.003 0.000 0.997 245 D CA 1.882 55.888 54.000 0.010 0.000 0.840 245 D CB -0.449 40.358 40.800 0.012 0.000 0.947 245 D HN 0.892 nan 8.370 nan 0.000 0.452 246 G N 0.421 109.222 108.800 0.002 0.000 2.509 246 G HA2 -0.027 3.929 3.960 -0.006 0.000 0.218 246 G HA3 -0.027 3.929 3.960 -0.006 0.000 0.218 246 G C 1.484 176.378 174.900 -0.011 0.000 1.124 246 G CA 0.696 45.794 45.100 -0.003 0.000 0.776 246 G HN 0.376 nan 8.290 nan 0.000 0.547 247 A N 0.453 123.266 122.820 -0.011 0.000 2.251 247 A HA 0.614 4.930 4.320 -0.006 0.000 0.209 247 A C 2.521 180.079 177.584 -0.044 0.000 1.187 247 A CA 1.251 53.276 52.037 -0.021 0.000 0.823 247 A CB -0.221 18.772 19.000 -0.011 0.000 0.846 247 A HN 0.486 nan 8.150 nan 0.000 0.486 248 A N -0.161 122.635 122.820 -0.040 0.000 1.908 248 A HA -0.102 4.214 4.320 -0.006 0.000 0.218 248 A C 2.415 179.937 177.584 -0.104 0.000 1.181 248 A CA 2.120 54.119 52.037 -0.063 0.000 0.627 248 A CB -0.733 18.247 19.000 -0.033 0.000 0.818 248 A HN 0.421 nan 8.150 nan 0.000 0.445 249 S N -0.749 114.912 115.700 -0.065 0.000 2.355 249 S HA -0.125 4.342 4.470 -0.006 0.000 0.222 249 S C 2.353 176.870 174.600 -0.138 0.000 1.031 249 S CA 1.404 59.573 58.200 -0.051 0.000 0.993 249 S CB -0.323 62.915 63.200 0.063 0.000 0.859 249 S HN 0.686 nan 8.310 nan 0.000 0.453 250 S N 0.651 116.306 115.700 -0.076 0.000 2.382 250 S HA -0.034 4.432 4.470 -0.006 0.000 0.228 250 S C 0.896 175.420 174.600 -0.128 0.000 1.027 250 S CA 0.402 58.561 58.200 -0.068 0.000 0.991 250 S CB -0.481 62.698 63.200 -0.036 0.000 0.823 250 S HN 0.313 nan 8.310 nan 0.000 0.469 254 N N -0.287 118.373 118.700 -0.066 0.000 2.376 254 N HA 0.150 4.886 4.740 -0.006 0.000 0.177 254 N C -0.064 175.416 175.510 -0.050 0.000 1.024 254 N CA 0.540 53.565 53.050 -0.042 0.000 0.893 254 N CB 0.228 38.691 38.487 -0.039 0.000 0.980 254 N HN 0.187 nan 8.380 nan 0.000 0.439 255 R N 0.403 120.848 120.500 -0.092 0.000 2.807 255 R HA 0.312 4.648 4.340 -0.006 0.000 0.276 255 R C -0.925 175.324 176.300 -0.084 0.000 0.979 255 R CA -0.965 55.085 56.100 -0.084 0.000 0.928 255 R CB 1.459 31.683 30.300 -0.126 0.000 1.191 255 R HN -0.194 nan 8.270 nan 0.000 0.471 256 K N 2.536 122.913 120.400 -0.038 0.000 2.338 256 K HA 0.189 4.505 4.320 -0.006 0.000 0.290 256 K C -0.703 175.886 176.600 -0.018 0.000 1.069 256 K CA 0.086 56.362 56.287 -0.018 0.000 0.941 256 K CB 0.320 32.825 32.500 0.009 0.000 1.023 256 K HN 0.367 nan 8.250 nan 0.000 0.477 257 I N 4.842 125.393 120.570 -0.031 0.000 2.362 257 I HA 0.133 4.299 4.170 -0.006 0.000 0.289 257 I C 0.666 176.805 176.117 0.036 0.000 0.994 257 I CA -0.308 60.986 61.300 -0.010 0.000 1.158 257 I CB 1.540 39.502 38.000 -0.065 0.000 1.315 257 I HN 0.754 nan 8.210 nan 0.000 0.451 258 D N 4.755 125.192 120.400 0.062 0.000 2.123 258 D HA 0.079 4.715 4.640 -0.006 0.000 0.200 258 D C 0.636 177.008 176.300 0.120 0.000 0.976 258 D CA 1.076 55.122 54.000 0.078 0.000 0.831 258 D CB 0.892 41.733 40.800 0.068 0.000 0.974 258 D HN 0.635 nan 8.370 nan 0.000 0.469 259 A N 0.174 123.071 122.820 0.130 0.000 2.589 259 A HA 0.452 4.769 4.320 -0.006 0.000 0.296 259 A C -1.109 176.575 177.584 0.166 0.000 1.062 259 A CA -0.611 51.549 52.037 0.206 0.000 0.686 259 A CB 1.710 20.868 19.000 0.264 0.000 1.282 259 A HN -0.099 nan 8.150 nan 0.000 0.404 260 V N 1.926 121.950 119.914 0.183 0.000 2.364 260 V HA 0.443 4.559 4.120 -0.006 0.000 0.272 260 V C -0.291 175.919 176.094 0.192 0.000 1.036 260 V CA -0.362 62.023 62.300 0.141 0.000 0.880 260 V CB 1.030 32.910 31.823 0.095 0.000 0.991 260 V HN 0.622 nan 8.190 nan 0.000 0.460 261 V N 6.534 126.535 119.914 0.146 0.000 2.350 261 V HA 0.557 4.674 4.120 -0.006 0.000 0.285 261 V C -0.019 176.132 176.094 0.095 0.000 1.014 261 V CA -0.515 61.869 62.300 0.139 0.000 0.831 261 V CB 1.564 33.434 31.823 0.079 0.000 1.000 261 V HN 0.733 nan 8.190 nan 0.000 0.433 262 V N 2.313 122.283 119.914 0.092 0.000 3.019 262 V HA 1.055 5.172 4.120 -0.006 0.000 0.317 262 V C 0.558 176.685 176.094 0.056 0.000 1.094 262 V CA -0.163 62.178 62.300 0.068 0.000 1.000 262 V CB 1.686 33.548 31.823 0.064 0.000 1.060 262 V HN 0.774 nan 8.190 nan 0.000 0.443 263 G N 0.042 108.871 108.800 0.049 0.000 2.509 263 G HA2 0.832 4.788 3.960 -0.006 0.000 0.269 263 G HA3 0.832 4.788 3.960 -0.006 0.000 0.269 263 G C -0.356 174.563 174.900 0.031 0.000 1.416 263 G CA -0.292 44.832 45.100 0.040 0.000 1.052 263 G HN 1.819 nan 8.290 nan 0.000 0.542 264 A N -1.955 120.878 122.820 0.022 0.000 2.606 264 A HA 0.660 4.976 4.320 -0.006 0.000 0.293 264 A C -0.264 177.319 177.584 -0.001 0.000 1.082 264 A CA -0.405 51.635 52.037 0.005 0.000 0.685 264 A CB 1.373 20.356 19.000 -0.028 0.000 1.284 264 A HN 0.452 nan 8.150 nan 0.000 0.408 265 D N -0.406 119.975 120.400 -0.031 0.000 2.531 265 D HA 0.157 4.794 4.640 -0.006 0.000 0.263 265 D C 0.230 176.459 176.300 -0.119 0.000 1.057 265 D CA 0.550 54.496 54.000 -0.090 0.000 0.909 265 D CB 0.784 41.458 40.800 -0.211 0.000 1.236 265 D HN 0.480 nan 8.370 nan 0.000 0.494 266 R N 0.894 121.321 120.500 -0.120 0.000 2.508 266 R HA 0.422 4.758 4.340 -0.006 0.000 0.283 266 R C -1.705 174.543 176.300 -0.087 0.000 1.120 266 R CA -0.350 55.686 56.100 -0.108 0.000 0.958 266 R CB 1.422 31.637 30.300 -0.142 0.000 1.215 266 R HN -0.136 nan 8.270 nan 0.000 0.427 267 I N 4.693 125.216 120.570 -0.079 0.000 2.354 267 I HA 0.301 4.467 4.170 -0.006 0.000 0.286 267 I C 0.257 176.337 176.117 -0.062 0.000 1.007 267 I CA -0.766 60.487 61.300 -0.079 0.000 1.167 267 I CB 1.425 39.364 38.000 -0.102 0.000 1.320 267 I HN 0.583 nan 8.210 nan 0.000 0.458 268 C N 3.738 123.012 119.300 -0.043 0.000 2.705 268 C HA 0.007 4.463 4.460 -0.006 0.000 0.365 268 C C 2.103 177.089 174.990 -0.006 0.000 1.353 268 C CA -0.234 58.772 59.018 -0.021 0.000 2.339 268 C CB 0.573 28.315 27.740 0.002 0.000 2.576 268 C HN 0.805 nan 8.230 nan 0.000 0.716 269 Q N 2.096 121.898 119.800 0.003 0.000 2.096 269 Q HA -0.178 4.158 4.340 -0.006 0.000 0.204 269 Q C 1.899 177.929 176.000 0.051 0.000 0.982 269 Q CA 2.581 58.393 55.803 0.015 0.000 0.850 269 Q CB -0.389 28.351 28.738 0.004 0.000 0.901 269 Q HN 0.854 nan 8.270 nan 0.000 0.422 270 N N -1.260 117.480 118.700 0.066 0.000 2.494 270 N HA 0.037 4.773 4.740 -0.006 0.000 0.182 270 N C 1.046 176.674 175.510 0.197 0.000 1.076 270 N CA 1.293 54.411 53.050 0.113 0.000 0.908 270 N CB 0.090 38.635 38.487 0.097 0.000 0.967 270 N HN 0.408 nan 8.380 nan 0.000 0.449 271 G N -0.465 108.408 108.800 0.121 0.000 2.231 271 G HA2 -0.215 3.741 3.960 -0.006 0.000 0.206 271 G HA3 -0.215 3.741 3.960 -0.006 0.000 0.206 271 G C -0.782 174.118 174.900 -0.001 0.000 0.996 271 G CA -0.058 45.077 45.100 0.059 0.000 0.645 271 G HN 0.393 nan 8.290 nan 0.000 0.498 272 D N 1.861 122.287 120.400 0.043 0.000 2.531 272 D HA 0.408 5.045 4.640 -0.006 0.000 0.239 272 D C 0.334 176.620 176.300 -0.024 0.000 1.144 272 D CA 1.121 55.131 54.000 0.017 0.000 0.869 272 D CB 0.860 41.672 40.800 0.020 0.000 1.160 272 D HN 0.128 nan 8.370 nan 0.000 0.484 273 T N 1.661 116.199 114.554 -0.026 0.000 2.772 273 T HA 0.569 4.916 4.350 -0.006 0.000 0.288 273 T C 0.024 174.712 174.700 -0.020 0.000 0.994 273 T CA -0.710 61.368 62.100 -0.037 0.000 0.951 273 T CB 1.311 70.154 68.868 -0.042 0.000 0.933 273 T HN 0.346 nan 8.240 nan 0.000 0.447 274 A N 4.246 127.039 122.820 -0.044 0.000 2.354 274 A HA 0.684 5.000 4.320 -0.006 0.000 0.281 274 A C 0.269 177.856 177.584 0.006 0.000 1.174 274 A CA -0.331 51.680 52.037 -0.044 0.000 0.828 274 A CB -0.022 18.892 19.000 -0.143 0.000 1.099 274 A HN 0.751 nan 8.150 nan 0.000 0.516 275 N N 0.653 119.427 118.700 0.123 0.000 2.732 275 N HA 0.373 5.110 4.740 -0.006 0.000 0.259 275 N C -0.916 174.778 175.510 0.308 0.000 1.402 275 N CA -0.762 52.411 53.050 0.205 0.000 0.829 275 N CB 1.137 39.690 38.487 0.110 0.000 1.495 275 N HN 0.456 nan 8.380 nan 0.000 0.511 276 K N 1.044 121.568 120.400 0.208 0.000 2.569 276 K HA 0.029 4.345 4.320 -0.006 0.000 0.280 276 K C -0.165 176.422 176.600 -0.022 0.000 0.984 276 K CA 0.016 56.291 56.287 -0.021 0.000 1.064 276 K CB -0.280 32.188 32.500 -0.054 0.000 0.866 276 K HN 0.525 nan 8.250 nan 0.000 0.492 277 I N 4.136 124.631 120.570 -0.125 0.000 2.906 277 I HA 0.052 4.218 4.170 -0.006 0.000 0.302 277 I C 1.324 177.431 176.117 -0.017 0.000 1.220 277 I CA 2.387 63.644 61.300 -0.072 0.000 1.441 277 I CB -0.025 37.875 38.000 -0.166 0.000 1.336 277 I HN 0.860 nan 8.210 nan 0.000 0.565 278 G N 3.488 112.312 108.800 0.040 0.000 2.238 278 G HA2 -0.301 3.656 3.960 -0.006 0.000 0.217 278 G HA3 -0.301 3.656 3.960 -0.006 0.000 0.217 278 G C 0.939 175.877 174.900 0.064 0.000 0.996 278 G CA 0.342 45.470 45.100 0.048 0.000 0.632 278 G HN 0.639 nan 8.290 nan 0.000 0.503 279 T N 0.116 114.721 114.554 0.084 0.000 2.821 279 T HA -0.077 4.269 4.350 -0.006 0.000 0.267 279 T C 1.796 176.573 174.700 0.128 0.000 1.046 279 T CA 1.827 63.983 62.100 0.093 0.000 1.139 279 T CB -0.227 68.699 68.868 0.096 0.000 0.871 279 T HN 0.519 nan 8.240 nan 0.000 0.454 280 Y N 2.816 123.136 120.300 0.033 0.000 2.181 280 Y HA -0.135 4.411 4.550 -0.006 0.000 0.288 280 Y C 2.352 178.272 175.900 0.034 0.000 1.146 280 Y CA 1.124 59.244 58.100 0.034 0.000 1.164 280 Y CB -0.708 37.778 38.460 0.043 0.000 0.982 280 Y HN 0.084 nan 8.280 nan 0.000 0.515 281 N N 0.405 119.061 118.700 -0.074 0.000 2.149 281 N HA -0.180 4.557 4.740 -0.006 0.000 0.188 281 N C 1.744 177.186 175.510 -0.113 0.000 1.019 281 N CA 1.471 54.432 53.050 -0.149 0.000 0.857 281 N CB -0.566 37.904 38.487 -0.028 0.000 0.997 281 N HN 0.423 nan 8.380 nan 0.000 0.426 282 L N 0.509 121.708 121.223 -0.040 0.000 2.056 282 L HA 0.062 4.399 4.340 -0.006 0.000 0.207 282 L C 2.221 179.082 176.870 -0.014 0.000 1.078 282 L CA 1.633 56.467 54.840 -0.011 0.000 0.749 282 L CB -1.029 41.041 42.059 0.019 0.000 0.901 282 L HN 0.210 nan 8.230 nan 0.000 0.433 283 A N -1.506 121.296 122.820 -0.029 0.000 1.898 283 A HA -0.137 4.180 4.320 -0.006 0.000 0.216 283 A C 2.314 179.861 177.584 -0.062 0.000 1.181 283 A CA 1.776 53.800 52.037 -0.021 0.000 0.620 283 A CB -0.918 18.097 19.000 0.026 0.000 0.819 283 A HN 0.227 nan 8.150 nan 0.000 0.442 284 V N -0.544 119.261 119.914 -0.180 0.000 2.295 284 V HA -0.211 3.905 4.120 -0.006 0.000 0.246 284 V C 2.822 178.889 176.094 -0.045 0.000 1.049 284 V CA 2.381 64.573 62.300 -0.180 0.000 1.024 284 V CB -0.632 30.977 31.823 -0.356 0.000 0.648 284 V HN 0.647 nan 8.190 nan 0.000 0.447 285 S N -0.626 115.065 115.700 -0.014 0.000 2.387 285 S HA -0.103 4.364 4.470 -0.006 0.000 0.226 285 S C 2.142 176.897 174.600 0.258 0.000 1.026 285 S CA 1.327 59.605 58.200 0.130 0.000 0.972 285 S CB -0.273 62.998 63.200 0.118 0.000 0.814 285 S HN 0.601 nan 8.310 nan 0.000 0.477 286 A N 1.524 124.424 122.820 0.134 0.000 1.908 286 A HA -0.140 4.176 4.320 -0.006 0.000 0.218 286 A C 2.130 179.777 177.584 0.106 0.000 1.181 286 A CA 1.896 54.004 52.037 0.119 0.000 0.627 286 A CB -0.677 18.358 19.000 0.058 0.000 0.818 286 A HN 0.603 nan 8.150 nan 0.000 0.445 287 K N -1.677 118.765 120.400 0.070 0.000 2.057 287 K HA -0.141 4.175 4.320 -0.006 0.000 0.206 287 K C 1.811 178.438 176.600 0.044 0.000 1.050 287 K CA 1.506 57.816 56.287 0.038 0.000 0.935 287 K CB -0.305 32.206 32.500 0.018 0.000 0.715 287 K HN 0.414 nan 8.250 nan 0.000 0.439 288 F N 1.164 121.060 119.950 -0.089 0.000 2.171 288 F HA -0.193 4.330 4.527 -0.006 0.000 0.300 288 F C 1.887 177.525 175.800 -0.270 0.000 1.090 288 F CA 1.559 59.438 58.000 -0.202 0.000 1.293 288 F CB 0.081 38.904 39.000 -0.295 0.000 1.013 288 F HN 0.183 nan 8.300 nan 0.000 0.486 289 H N -0.578 118.531 119.070 0.065 0.000 2.551 289 H HA 0.266 4.819 4.556 -0.006 0.000 0.271 289 H C 1.773 177.072 175.328 -0.048 0.000 0.984 289 H CA 0.684 56.726 56.048 -0.011 0.000 1.164 289 H CB -0.204 29.601 29.762 0.072 0.000 1.437 289 H HN 0.337 nan 8.280 nan 0.000 0.550 290 G N 1.495 110.312 108.800 0.028 0.000 2.221 290 G HA2 -0.262 3.694 3.960 -0.006 0.000 0.265 290 G HA3 -0.262 3.694 3.960 -0.006 0.000 0.265 290 G C -0.016 174.906 174.900 0.038 0.000 1.041 290 G CA 0.396 45.500 45.100 0.006 0.000 0.807 290 G HN 0.216 nan 8.290 nan 0.000 0.502 291 V N 1.544 121.496 119.914 0.063 0.000 2.347 291 V HA 0.385 4.501 4.120 -0.006 0.000 0.280 291 V C 0.912 177.034 176.094 0.047 0.000 1.021 291 V CA -0.677 61.661 62.300 0.064 0.000 0.847 291 V CB 1.476 33.341 31.823 0.069 0.000 0.990 291 V HN 0.568 nan 8.190 nan 0.000 0.444 292 K N 5.107 125.535 120.400 0.047 0.000 2.401 292 K HA 0.431 4.748 4.320 -0.006 0.000 0.278 292 K C -0.712 175.862 176.600 -0.043 0.000 1.018 292 K CA -0.328 55.941 56.287 -0.030 0.000 0.981 292 K CB 1.242 33.721 32.500 -0.035 0.000 0.933 292 K HN 0.545 nan 8.250 nan 0.000 0.477 293 L N 3.825 124.954 121.223 -0.157 0.000 2.307 293 L HA 0.389 4.725 4.340 -0.006 0.000 0.284 293 L C -1.497 175.229 176.870 -0.238 0.000 1.023 293 L CA -0.803 53.987 54.840 -0.082 0.000 0.810 293 L CB 0.656 42.698 42.059 -0.029 0.000 1.231 293 L HN 0.586 nan 8.230 nan 0.000 0.423 294 Y N 3.557 123.873 120.300 0.026 0.000 2.377 294 Y HA 0.542 5.088 4.550 -0.006 0.000 0.339 294 Y C -0.269 175.624 175.900 -0.011 0.000 1.011 294 Y CA -0.795 57.308 58.100 0.005 0.000 1.093 294 Y CB 2.080 40.548 38.460 0.014 0.000 1.201 294 Y HN 0.167 nan 8.280 nan 0.000 0.455 295 V N 3.330 123.296 119.914 0.087 0.000 2.357 295 V HA 0.690 4.806 4.120 -0.006 0.000 0.284 295 V C -0.221 175.886 176.094 0.022 0.000 1.018 295 V CA -0.846 61.468 62.300 0.025 0.000 0.841 295 V CB 0.962 32.751 31.823 -0.057 0.000 0.991 295 V HN 0.863 nan 8.190 nan 0.000 0.437 296 A N 4.482 127.323 122.820 0.035 0.000 2.271 296 A HA 0.962 5.278 4.320 -0.006 0.000 0.317 296 A C 0.027 177.616 177.584 0.008 0.000 1.245 296 A CA -0.007 52.044 52.037 0.024 0.000 0.857 296 A CB 0.984 20.007 19.000 0.039 0.000 1.175 296 A HN 1.492 nan 8.150 nan 0.000 0.512 297 A N 3.940 126.752 122.820 -0.013 0.000 2.594 297 A HA 0.856 5.173 4.320 -0.006 0.000 0.296 297 A C -3.284 174.265 177.584 -0.059 0.000 1.061 297 A CA -1.253 50.767 52.037 -0.027 0.000 0.689 297 A CB 1.241 20.214 19.000 -0.044 0.000 1.280 297 A HN 0.554 nan 8.150 nan 0.000 0.406 298 P HA 0.195 nan 4.420 nan 0.000 0.274 298 P C 1.013 178.153 177.300 -0.265 0.000 1.246 298 P CA 0.406 63.388 63.100 -0.197 0.000 0.795 298 P CB 0.512 32.134 31.700 -0.130 0.000 1.006 299 T N -3.697 110.598 114.554 -0.431 0.000 3.007 299 T HA -0.125 4.221 4.350 -0.006 0.000 0.270 299 T C 1.642 176.205 174.700 -0.228 0.000 1.107 299 T CA 1.657 63.573 62.100 -0.307 0.000 1.118 299 T CB -1.306 67.371 68.868 -0.319 0.000 0.889 299 T HN 0.433 nan 8.240 nan 0.000 0.506 300 T N 1.133 115.541 114.554 -0.242 0.000 3.113 300 T HA 0.002 4.349 4.350 -0.006 0.000 0.263 300 T C 1.568 176.235 174.700 -0.055 0.000 1.143 300 T CA 1.206 63.250 62.100 -0.093 0.000 1.090 300 T CB -0.798 68.071 68.868 0.002 0.000 0.922 300 T HN 0.529 nan 8.240 nan 0.000 0.521 301 T N 1.541 116.048 114.554 -0.079 0.000 3.081 301 T HA 0.322 4.669 4.350 -0.006 0.000 0.250 301 T C 0.145 174.804 174.700 -0.068 0.000 1.100 301 T CA -0.183 61.881 62.100 -0.059 0.000 1.038 301 T CB 0.088 68.922 68.868 -0.056 0.000 0.962 301 T HN 0.137 nan 8.240 nan 0.000 0.516 302 L N 2.187 123.362 121.223 -0.081 0.000 2.395 302 L HA 0.462 4.798 4.340 -0.006 0.000 0.269 302 L C 0.018 176.854 176.870 -0.056 0.000 1.133 302 L CA -0.121 54.674 54.840 -0.075 0.000 0.812 302 L CB 0.609 42.617 42.059 -0.085 0.000 1.125 302 L HN -0.055 nan 8.230 nan 0.000 0.452 303 D N 0.522 120.890 120.400 -0.052 0.000 2.402 303 D HA 0.233 4.870 4.640 -0.006 0.000 0.252 303 D C 0.623 176.898 176.300 -0.041 0.000 1.294 303 D CA -0.365 53.607 54.000 -0.047 0.000 0.948 303 D CB 1.355 42.120 40.800 -0.058 0.000 1.202 303 D HN 0.222 nan 8.370 nan 0.000 0.561 304 V N 2.106 121.999 119.914 -0.035 0.000 2.667 304 V HA -0.047 4.069 4.120 -0.006 0.000 0.252 304 V C 1.733 177.803 176.094 -0.040 0.000 1.065 304 V CA 0.996 63.278 62.300 -0.031 0.000 1.083 304 V CB -0.547 31.261 31.823 -0.025 0.000 0.692 304 V HN 0.306 nan 8.190 nan 0.000 0.468 305 K N 0.739 121.111 120.400 -0.047 0.000 2.439 305 K HA 0.083 4.399 4.320 -0.006 0.000 0.197 305 K C 0.362 176.914 176.600 -0.080 0.000 1.041 305 K CA 0.804 57.054 56.287 -0.061 0.000 0.970 305 K CB -0.078 32.386 32.500 -0.060 0.000 0.773 305 K HN 0.529 nan 8.250 nan 0.000 0.479 306 T N 0.295 114.807 114.554 -0.070 0.000 2.770 306 T HA 0.343 4.689 4.350 -0.006 0.000 0.283 306 T C 0.710 175.387 174.700 -0.037 0.000 0.988 306 T CA -0.563 61.499 62.100 -0.065 0.000 0.957 306 T CB 1.814 70.651 68.868 -0.051 0.000 0.930 306 T HN 0.072 nan 8.240 nan 0.000 0.443 307 A N 3.544 126.337 122.820 -0.046 0.000 1.874 307 A HA 0.288 4.604 4.320 -0.006 0.000 0.214 307 A C 1.316 178.940 177.584 0.067 0.000 1.189 307 A CA 0.797 52.832 52.037 -0.003 0.000 0.615 307 A CB -0.157 18.818 19.000 -0.041 0.000 0.830 307 A HN 0.853 nan 8.150 nan 0.000 0.443 308 S N -4.250 111.541 115.700 0.152 0.000 2.671 308 S HA 0.543 5.010 4.470 -0.006 0.000 0.277 308 S C 1.007 175.651 174.600 0.074 0.000 1.165 308 S CA 0.027 58.297 58.200 0.115 0.000 0.822 308 S CB 0.920 64.188 63.200 0.113 0.000 1.150 308 S HN 0.723 nan 8.310 nan 0.000 0.479 309 G N 1.566 110.371 108.800 0.010 0.000 2.450 309 G HA2 -0.222 3.735 3.960 -0.006 0.000 0.220 309 G HA3 -0.222 3.735 3.960 -0.006 0.000 0.220 309 G C 1.134 175.989 174.900 -0.075 0.000 1.130 309 G CA 0.966 46.045 45.100 -0.035 0.000 0.760 309 G HN 0.899 nan 8.290 nan 0.000 0.557 310 N N 0.321 118.940 118.700 -0.135 0.000 2.512 310 N HA -0.088 4.648 4.740 -0.006 0.000 0.183 310 N C 0.966 176.288 175.510 -0.314 0.000 1.073 310 N CA 0.754 53.663 53.050 -0.234 0.000 0.911 310 N CB -0.490 37.817 38.487 -0.299 0.000 0.964 310 N HN 0.378 nan 8.380 nan 0.000 0.447 311 H N -0.006 119.038 119.070 -0.043 0.000 2.551 311 H HA 0.278 4.830 4.556 -0.006 0.000 0.271 311 H C -0.017 175.268 175.328 -0.072 0.000 0.984 311 H CA -0.231 55.786 56.048 -0.052 0.000 1.164 311 H CB 0.854 30.586 29.762 -0.050 0.000 1.437 311 H HN 0.001 nan 8.280 nan 0.000 0.550 312 V N 2.028 121.939 119.914 -0.005 0.000 2.461 312 V HA 0.015 4.131 4.120 -0.006 0.000 0.275 312 V C 0.739 176.794 176.094 -0.066 0.000 1.047 312 V CA -0.548 61.717 62.300 -0.058 0.000 0.955 312 V CB 2.059 33.833 31.823 -0.082 0.000 0.988 312 V HN 0.280 nan 8.190 nan 0.000 0.471 313 E N 4.857 125.003 120.200 -0.089 0.000 2.217 313 E HA 0.168 4.515 4.350 -0.006 0.000 0.279 313 E C -0.862 175.694 176.600 -0.074 0.000 1.068 313 E CA -0.603 55.755 56.400 -0.070 0.000 0.882 313 E CB 0.562 30.215 29.700 -0.079 0.000 1.039 313 E HN 0.434 nan 8.360 nan 0.000 0.418 314 I N 4.766 125.323 120.570 -0.022 0.000 2.312 314 I HA 0.089 4.255 4.170 -0.006 0.000 0.291 314 I C 0.619 176.776 176.117 0.068 0.000 1.031 314 I CA -0.175 61.142 61.300 0.028 0.000 1.293 314 I CB 0.895 38.923 38.000 0.047 0.000 1.403 314 I HN 0.666 nan 8.210 nan 0.000 0.484 315 E N 6.297 126.590 120.200 0.154 0.000 2.376 315 E HA 0.065 4.411 4.350 -0.006 0.000 0.266 315 E C -0.580 176.053 176.600 0.056 0.000 1.009 315 E CA 0.004 56.485 56.400 0.135 0.000 0.902 315 E CB 0.763 30.602 29.700 0.232 0.000 0.972 315 E HN 0.521 nan 8.360 nan 0.000 0.439 316 E N 3.763 123.962 120.200 -0.003 0.000 2.195 316 E HA 0.402 4.748 4.350 -0.006 0.000 0.271 316 E C -0.482 176.088 176.600 -0.050 0.000 0.923 316 E CA -0.659 55.702 56.400 -0.065 0.000 0.790 316 E CB 1.899 31.568 29.700 -0.051 0.000 1.155 316 E HN 0.380 nan 8.360 nan 0.000 0.402 317 R N 1.110 121.563 120.500 -0.078 0.000 2.919 317 R HA 0.182 4.519 4.340 -0.006 0.000 0.260 317 R C -0.506 175.777 176.300 -0.028 0.000 1.067 317 R CA -0.969 55.099 56.100 -0.053 0.000 1.003 317 R CB 1.197 31.449 30.300 -0.080 0.000 1.192 317 R HN 0.624 nan 8.270 nan 0.000 0.488 318 E N 2.641 122.838 120.200 -0.005 0.000 2.608 318 E HA -0.052 4.294 4.350 -0.006 0.000 0.259 318 E C -1.717 174.889 176.600 0.010 0.000 0.951 318 E CA -1.011 55.397 56.400 0.012 0.000 0.945 318 E CB 0.361 30.076 29.700 0.024 0.000 0.916 318 E HN 0.287 nan 8.360 nan 0.000 0.477 319 P HA -0.168 nan 4.420 nan 0.000 0.228 319 P C 1.141 178.452 177.300 0.019 0.000 1.151 319 P CA 1.189 64.300 63.100 0.019 0.000 0.770 319 P CB -0.103 31.614 31.700 0.029 0.000 0.786 320 T N -2.775 111.791 114.554 0.020 0.000 3.007 320 T HA -0.064 4.282 4.350 -0.006 0.000 0.270 320 T C 1.642 176.353 174.700 0.018 0.000 1.107 320 T CA 0.701 62.812 62.100 0.018 0.000 1.118 320 T CB -0.710 68.169 68.868 0.019 0.000 0.889 320 T HN 0.230 nan 8.240 nan 0.000 0.506 321 E N 0.786 121.002 120.200 0.027 0.000 2.153 321 E HA -0.035 4.311 4.350 -0.006 0.000 0.194 321 E C 1.840 178.451 176.600 0.017 0.000 0.988 321 E CA 1.116 57.539 56.400 0.039 0.000 0.811 321 E CB -0.221 29.518 29.700 0.067 0.000 0.746 321 E HN 0.629 nan 8.360 nan 0.000 0.466 322 I N -0.031 120.547 120.570 0.012 0.000 2.927 322 I HA -0.107 4.059 4.170 -0.006 0.000 0.268 322 I C 2.481 178.603 176.117 0.008 0.000 1.153 322 I CA 1.030 62.335 61.300 0.009 0.000 1.459 322 I CB 0.024 38.032 38.000 0.014 0.000 1.149 322 I HN 0.087 nan 8.210 nan 0.000 0.443 323 T N -2.210 112.350 114.554 0.011 0.000 3.067 323 T HA 0.039 4.385 4.350 -0.006 0.000 0.257 323 T C 0.910 175.612 174.700 0.003 0.000 1.105 323 T CA 0.437 62.543 62.100 0.010 0.000 1.104 323 T CB -0.551 68.326 68.868 0.015 0.000 0.925 323 T HN 0.340 nan 8.240 nan 0.000 0.498 324 T N -0.224 114.329 114.554 -0.002 0.000 2.887 324 T HA 0.467 4.813 4.350 -0.006 0.000 0.288 324 T C -0.663 174.025 174.700 -0.021 0.000 1.021 324 T CA -0.996 61.099 62.100 -0.008 0.000 1.000 324 T CB 1.444 70.309 68.868 -0.005 0.000 1.034 324 T HN 0.222 nan 8.240 nan 0.000 0.467 325 N N 1.781 120.465 118.700 -0.026 0.000 2.447 325 N HA 0.098 4.834 4.740 -0.006 0.000 0.263 325 N C 0.004 175.482 175.510 -0.053 0.000 1.226 325 N CA -0.457 52.569 53.050 -0.041 0.000 0.906 325 N CB 0.231 38.697 38.487 -0.036 0.000 1.060 325 N HN 0.578 nan 8.380 nan 0.000 0.468 326 L N 6.026 127.200 121.223 -0.081 0.000 2.678 326 L HA 0.040 4.376 4.340 -0.006 0.000 0.276 326 L C -0.053 176.758 176.870 -0.098 0.000 1.142 326 L CA 0.186 54.962 54.840 -0.106 0.000 0.961 326 L CB -0.294 41.653 42.059 -0.188 0.000 1.291 326 L HN 0.542 nan 8.230 nan 0.000 0.476 327 V N 4.824 124.699 119.914 -0.064 0.000 3.772 327 V HA -0.404 3.713 4.120 -0.006 0.000 0.537 327 V C 0.984 177.049 176.094 -0.047 0.000 0.682 327 V CA 1.675 63.946 62.300 -0.048 0.000 2.099 327 V CB -0.220 31.573 31.823 -0.049 0.000 2.496 327 V HN 1.153 nan 8.190 nan 0.000 0.519 328 T N 2.177 116.711 114.554 -0.033 0.000 9.519 328 T HA -0.233 4.114 4.350 -0.006 0.000 0.331 328 T C 0.683 175.371 174.700 -0.019 0.000 1.968 328 T CA 1.155 63.239 62.100 -0.027 0.000 3.281 328 T CB -0.862 67.986 68.868 -0.033 0.000 1.818 328 T HN 1.679 nan 8.240 nan 0.000 0.597 329 K N 1.001 121.389 120.400 -0.020 0.000 3.160 329 K HA -0.224 4.092 4.320 -0.006 0.000 0.280 329 K C 0.036 176.631 176.600 -0.009 0.000 1.154 329 K CA 1.191 57.471 56.287 -0.012 0.000 0.822 329 K CB -1.063 31.434 32.500 -0.005 0.000 1.239 329 K HN 0.743 nan 8.250 nan 0.000 0.489 330 Q N 1.267 121.060 119.800 -0.013 0.000 2.257 330 Q HA 0.222 4.558 4.340 -0.006 0.000 0.255 330 Q C -0.498 175.497 176.000 -0.009 0.000 0.920 330 Q CA -0.642 55.155 55.803 -0.010 0.000 0.927 330 Q CB 0.904 29.635 28.738 -0.012 0.000 1.229 330 Q HN 0.113 nan 8.270 nan 0.000 0.433 331 R N 1.834 122.331 120.500 -0.004 0.000 2.489 331 R HA 0.055 4.391 4.340 -0.006 0.000 0.287 331 R C 0.665 176.963 176.300 -0.003 0.000 1.053 331 R CA 0.120 56.219 56.100 -0.002 0.000 1.036 331 R CB 0.631 30.932 30.300 0.002 0.000 0.966 331 R HN 0.602 nan 8.270 nan 0.000 0.432 332 V N 0.056 119.968 119.914 -0.003 0.000 3.477 332 V HA 0.234 4.350 4.120 -0.006 0.000 0.297 332 V C 0.149 176.244 176.094 0.002 0.000 1.433 332 V CA -0.268 62.030 62.300 -0.003 0.000 1.052 332 V CB 0.797 32.615 31.823 -0.007 0.000 0.895 332 V HN 0.253 nan 8.190 nan 0.000 0.438 333 V N 1.326 121.243 119.914 0.005 0.000 2.604 333 V HA 0.866 4.982 4.120 -0.006 0.000 0.305 333 V C 0.718 176.818 176.094 0.010 0.000 1.043 333 V CA -0.396 61.909 62.300 0.010 0.000 0.888 333 V CB 1.452 33.284 31.823 0.014 0.000 0.995 333 V HN 0.470 nan 8.190 nan 0.000 0.429 334 A N 2.569 125.396 122.820 0.012 0.000 2.448 334 A HA 0.448 4.765 4.320 -0.006 0.000 0.239 334 A C -0.250 177.342 177.584 0.014 0.000 1.080 334 A CA 0.263 52.307 52.037 0.013 0.000 0.779 334 A CB 0.158 19.167 19.000 0.014 0.000 1.026 334 A HN 0.863 nan 8.150 nan 0.000 0.499 335 D N -1.039 119.368 120.400 0.012 0.000 2.481 335 D HA 0.690 5.327 4.640 -0.006 0.000 0.244 335 D C -0.110 176.194 176.300 0.008 0.000 1.057 335 D CA 0.664 54.670 54.000 0.010 0.000 0.848 335 D CB 1.874 42.678 40.800 0.005 0.000 1.388 335 D HN 0.849 nan 8.370 nan 0.000 0.475 336 G N 1.608 110.409 108.800 0.003 0.000 2.646 336 G HA2 0.394 4.350 3.960 -0.006 0.000 0.291 336 G HA3 0.394 4.350 3.960 -0.006 0.000 0.291 336 G C -2.134 172.734 174.900 -0.054 0.000 1.445 336 G CA -0.934 44.161 45.100 -0.007 0.000 0.814 336 G HN 0.320 nan 8.290 nan 0.000 0.495 337 P HA -0.046 nan 4.420 nan 0.000 0.221 337 P C 0.382 177.429 177.300 -0.421 0.000 1.150 337 P CA 1.174 64.082 63.100 -0.321 0.000 0.800 337 P CB 0.138 31.539 31.700 -0.499 0.000 0.787 338 H N -1.159 117.918 119.070 0.010 0.000 2.469 338 H HA 0.370 4.923 4.556 -0.006 0.000 0.286 338 H C 0.038 175.373 175.328 0.011 0.000 1.106 338 H CA -0.595 55.458 56.048 0.009 0.000 1.055 338 H CB -0.038 29.727 29.762 0.006 0.000 1.618 338 H HN 0.034 nan 8.280 nan 0.000 0.559 339 L N 1.737 122.998 121.223 0.064 0.000 2.329 339 L HA 0.576 4.913 4.340 -0.006 0.000 0.279 339 L C -0.171 176.725 176.870 0.044 0.000 1.014 339 L CA -0.505 54.367 54.840 0.055 0.000 0.814 339 L CB 1.435 43.519 42.059 0.043 0.000 1.257 339 L HN 0.138 nan 8.230 nan 0.000 0.424 340 S N 5.044 120.777 115.700 0.055 0.000 2.599 340 S HA 0.788 5.254 4.470 -0.006 0.000 0.294 340 S C -0.920 173.732 174.600 0.086 0.000 1.094 340 S CA -0.892 57.347 58.200 0.064 0.000 0.931 340 S CB 1.743 64.982 63.200 0.066 0.000 1.093 340 S HN 0.455 nan 8.310 nan 0.000 0.488 341 I N 1.675 122.306 120.570 0.103 0.000 2.389 341 I HA 0.342 4.508 4.170 -0.006 0.000 0.288 341 I C -1.297 174.940 176.117 0.200 0.000 0.999 341 I CA -0.544 60.831 61.300 0.125 0.000 1.129 341 I CB 1.330 39.376 38.000 0.077 0.000 1.288 341 I HN 0.956 nan 8.210 nan 0.000 0.444 342 W N 7.620 128.927 121.300 0.012 0.000 2.311 342 W HA 0.354 5.011 4.660 -0.006 0.000 0.317 342 W C 0.100 176.625 176.519 0.009 0.000 1.065 342 W CA -0.493 56.858 57.345 0.011 0.000 1.364 342 W CB 0.608 30.076 29.460 0.012 0.000 1.233 342 W HN 0.473 nan 8.180 nan 0.000 0.409 343 N N 7.495 126.047 118.700 -0.246 0.000 2.886 343 N HA 0.331 5.067 4.740 -0.006 0.000 0.285 343 N C -2.820 172.435 175.510 -0.426 0.000 1.706 343 N CA -1.916 50.956 53.050 -0.297 0.000 0.904 343 N CB 0.801 39.212 38.487 -0.126 0.000 1.224 343 N HN 0.021 nan 8.380 nan 0.000 0.488 344 P HA 0.073 nan 4.420 nan 0.000 0.280 344 P C 0.732 177.790 177.300 -0.403 0.000 1.244 344 P CA -0.314 62.467 63.100 -0.533 0.000 0.784 344 P CB 1.568 32.832 31.700 -0.726 0.000 0.913 345 V N -0.487 119.217 119.914 -0.349 0.000 3.621 345 V HA 0.411 4.527 4.120 -0.006 0.000 0.285 345 V C -0.092 175.476 176.094 -0.877 0.000 1.346 345 V CA 0.211 62.172 62.300 -0.564 0.000 1.104 345 V CB -1.373 30.070 31.823 -0.633 0.000 0.913 345 V HN 0.201 nan 8.190 nan 0.000 0.432 346 F N 1.124 120.990 119.950 -0.140 0.000 2.626 346 F HA 0.768 5.291 4.527 -0.006 0.000 0.311 346 F C -0.518 175.227 175.800 -0.091 0.000 1.088 346 F CA -0.912 57.030 58.000 -0.098 0.000 0.949 346 F CB 1.949 40.898 39.000 -0.085 0.000 1.322 346 F HN 0.195 nan 8.300 nan 0.000 0.461 347 D N -0.162 120.329 120.400 0.151 0.000 2.592 347 D HA 0.504 5.141 4.640 -0.006 0.000 0.263 347 D C -1.466 174.861 176.300 0.045 0.000 1.132 347 D CA -0.493 53.552 54.000 0.075 0.000 0.996 347 D CB 1.309 42.163 40.800 0.091 0.000 1.442 347 D HN 0.172 nan 8.370 nan 0.000 0.486 348 I N 0.528 121.062 120.570 -0.060 0.000 2.336 348 I HA 0.283 4.449 4.170 -0.006 0.000 0.292 348 I C -0.047 176.012 176.117 -0.097 0.000 0.991 348 I CA -0.362 60.885 61.300 -0.089 0.000 1.227 348 I CB 1.050 38.968 38.000 -0.136 0.000 1.366 348 I HN 0.386 nan 8.210 nan 0.000 0.466 349 T N 8.457 123.031 114.554 0.035 0.000 2.738 349 T HA 0.330 4.677 4.350 -0.006 0.000 0.298 349 T C -2.373 172.369 174.700 0.070 0.000 0.962 349 T CA -1.233 60.948 62.100 0.136 0.000 0.972 349 T CB 1.010 69.959 68.868 0.135 0.000 0.928 349 T HN 0.293 nan 8.240 nan 0.000 0.474 350 P HA 0.110 nan 4.420 nan 0.000 0.271 350 P C 1.003 178.349 177.300 0.077 0.000 1.218 350 P CA -0.325 62.815 63.100 0.066 0.000 0.780 350 P CB 0.547 32.295 31.700 0.079 0.000 0.901 351 S N 1.217 116.984 115.700 0.112 0.000 2.420 351 S HA -0.257 4.209 4.470 -0.006 0.000 0.237 351 S C 1.310 175.894 174.600 -0.026 0.000 1.023 351 S CA 1.503 59.807 58.200 0.175 0.000 0.991 351 S CB -1.070 62.357 63.200 0.378 0.000 0.792 351 S HN 0.426 nan 8.310 nan 0.000 0.488 352 E N 1.811 121.930 120.200 -0.135 0.000 2.160 352 E HA -0.005 4.342 4.350 -0.006 0.000 0.195 352 E C 1.767 178.208 176.600 -0.264 0.000 0.991 352 E CA 1.227 57.374 56.400 -0.421 0.000 0.810 352 E CB -0.481 29.143 29.700 -0.127 0.000 0.742 352 E HN 0.587 nan 8.360 nan 0.000 0.466 353 L N 0.376 121.546 121.223 -0.088 0.000 2.567 353 L HA 0.183 4.520 4.340 -0.006 0.000 0.225 353 L C 0.474 177.317 176.870 -0.045 0.000 1.119 353 L CA -0.117 54.697 54.840 -0.042 0.000 0.871 353 L CB 0.030 42.110 42.059 0.034 0.000 1.036 353 L HN 0.065 nan 8.230 nan 0.000 0.459 354 I N 0.907 121.455 120.570 -0.036 0.000 2.227 354 I HA -0.011 4.155 4.170 -0.006 0.000 0.297 354 I C 1.540 177.633 176.117 -0.040 0.000 1.173 354 I CA -0.053 61.233 61.300 -0.023 0.000 1.356 354 I CB 0.366 38.369 38.000 0.004 0.000 1.485 354 I HN 0.151 nan 8.210 nan 0.000 0.604 355 T N -0.297 114.183 114.554 -0.123 0.000 3.014 355 T HA 0.013 4.359 4.350 -0.006 0.000 0.263 355 T C 1.848 176.426 174.700 -0.205 0.000 1.078 355 T CA 0.763 62.777 62.100 -0.144 0.000 1.135 355 T CB 0.049 68.845 68.868 -0.120 0.000 0.895 355 T HN 0.550 nan 8.240 nan 0.000 0.480 356 G N 1.352 109.889 108.800 -0.438 0.000 2.425 356 G HA2 0.483 4.440 3.960 -0.006 0.000 0.213 356 G HA3 0.483 4.440 3.960 -0.006 0.000 0.213 356 G C 0.721 175.324 174.900 -0.496 0.000 1.201 356 G CA 0.354 44.918 45.100 -0.894 0.000 0.799 356 G HN 1.064 nan 8.290 nan 0.000 0.534 357 G N -1.407 107.202 108.800 -0.319 0.000 2.356 357 G HA2 0.291 4.247 3.960 -0.006 0.000 0.300 357 G HA3 0.291 4.247 3.960 -0.006 0.000 0.300 357 G C -1.607 173.290 174.900 -0.005 0.000 1.331 357 G CA -0.831 44.284 45.100 0.025 0.000 0.905 357 G HN 0.341 nan 8.290 nan 0.000 0.587 358 I N 0.953 121.499 120.570 -0.040 0.000 2.330 358 I HA 0.385 4.552 4.170 -0.006 0.000 0.289 358 I C -0.053 176.032 176.117 -0.053 0.000 1.001 358 I CA -0.600 60.619 61.300 -0.136 0.000 1.193 358 I CB 1.361 39.152 38.000 -0.348 0.000 1.345 358 I HN 0.259 nan 8.210 nan 0.000 0.461 359 I N 6.702 127.263 120.570 -0.014 0.000 2.301 359 I HA 0.242 4.409 4.170 -0.006 0.000 0.292 359 I C 0.693 176.793 176.117 -0.029 0.000 1.046 359 I CA -0.063 61.232 61.300 -0.009 0.000 1.282 359 I CB 0.796 38.816 38.000 0.032 0.000 1.409 359 I HN 0.599 nan 8.210 nan 0.000 0.484 360 T N 0.926 115.444 114.554 -0.061 0.000 2.841 360 T HA 0.259 4.606 4.350 -0.006 0.000 0.276 360 T C 1.011 175.702 174.700 -0.014 0.000 1.003 360 T CA -0.713 61.346 62.100 -0.069 0.000 0.995 360 T CB 1.565 70.360 68.868 -0.121 0.000 1.260 360 T HN 0.621 nan 8.240 nan 0.000 0.581 361 E N 0.431 120.630 120.200 -0.002 0.000 2.338 361 E HA -0.127 4.220 4.350 -0.006 0.000 0.197 361 E C 1.201 177.858 176.600 0.095 0.000 1.007 361 E CA 0.772 57.255 56.400 0.139 0.000 0.849 361 E CB -0.165 29.641 29.700 0.177 0.000 0.774 361 E HN 0.525 nan 8.360 nan 0.000 0.506 362 K N 0.954 121.305 120.400 -0.082 0.000 2.217 362 K HA 0.119 4.436 4.320 -0.006 0.000 0.202 362 K C 1.265 177.613 176.600 -0.420 0.000 1.051 362 K CA 1.031 57.234 56.287 -0.139 0.000 0.952 362 K CB 0.174 32.609 32.500 -0.108 0.000 0.736 362 K HN 0.332 nan 8.250 nan 0.000 0.453 363 G N -0.286 108.115 108.800 -0.664 0.000 2.357 363 G HA2 -0.035 3.921 3.960 -0.006 0.000 0.289 363 G HA3 -0.035 3.921 3.960 -0.006 0.000 0.289 363 G C -1.564 173.134 174.900 -0.337 0.000 1.302 363 G CA -0.816 43.742 45.100 -0.902 0.000 0.936 363 G HN -0.141 nan 8.290 nan 0.000 0.513 364 V N 1.232 121.032 119.914 -0.191 0.000 2.353 364 V HA 0.483 4.600 4.120 -0.006 0.000 0.264 364 V C 0.460 176.509 176.094 -0.074 0.000 1.049 364 V CA -0.003 62.225 62.300 -0.120 0.000 0.896 364 V CB 1.005 32.698 31.823 -0.217 0.000 1.025 364 V HN 0.768 nan 8.190 nan 0.000 0.475 365 Q N 4.689 124.478 119.800 -0.019 0.000 2.349 365 Q HA 0.575 4.911 4.340 -0.006 0.000 0.254 365 Q C 0.060 176.156 176.000 0.160 0.000 0.980 365 Q CA -0.055 55.789 55.803 0.070 0.000 0.924 365 Q CB 1.113 29.918 28.738 0.112 0.000 1.209 365 Q HN 0.879 nan 8.270 nan 0.000 0.445 366 A N 6.323 129.199 122.820 0.095 0.000 2.407 366 A HA 0.546 4.862 4.320 -0.006 0.000 0.248 366 A C -2.144 175.435 177.584 -0.009 0.000 1.082 366 A CA -1.135 50.949 52.037 0.079 0.000 0.785 366 A CB -0.261 18.781 19.000 0.070 0.000 1.020 366 A HN 0.771 nan 8.150 nan 0.000 0.489 367 P HA 0.333 nan 4.420 nan 0.000 0.272 367 P C -0.021 177.163 177.300 -0.193 0.000 1.223 367 P CA 0.073 62.892 63.100 -0.468 0.000 0.784 367 P CB 0.841 32.351 31.700 -0.316 0.000 0.923 368 A N 2.108 124.817 122.820 -0.185 0.000 2.310 368 A HA 0.439 4.755 4.320 -0.006 0.000 0.260 368 A C 1.749 179.341 177.584 0.013 0.000 1.112 368 A CA 0.352 52.334 52.037 -0.090 0.000 0.804 368 A CB -0.615 18.292 19.000 -0.155 0.000 1.081 368 A HN 0.551 nan 8.150 nan 0.000 0.499 369 A N -0.605 122.199 122.820 -0.026 0.000 1.930 369 A HA 0.277 4.594 4.320 -0.006 0.000 0.217 369 A C 1.552 179.145 177.584 0.015 0.000 1.175 369 A CA 2.317 54.360 52.037 0.010 0.000 0.627 369 A CB -0.437 18.553 19.000 -0.017 0.000 0.815 369 A HN 1.235 nan 8.150 nan 0.000 0.443 370 S N -4.820 110.772 115.700 -0.182 0.000 3.576 370 S HA 0.570 5.036 4.470 -0.006 0.000 0.321 370 S C 0.379 174.528 174.600 -0.751 0.000 1.174 370 S CA 0.533 58.504 58.200 -0.382 0.000 1.102 370 S CB 0.224 63.323 63.200 -0.169 0.000 1.467 370 S HN 2.213 nan 8.310 nan 0.000 0.701 371 A N 1.193 123.702 122.820 -0.518 0.000 5.949 371 A HA -0.082 4.234 4.320 -0.006 0.000 0.275 371 A C -2.532 174.754 177.584 -0.497 0.000 2.055 371 A CA 0.518 52.324 52.037 -0.384 0.000 0.713 371 A CB -2.952 15.899 19.000 -0.248 0.000 1.146 371 A HN 0.722 nan 8.150 nan 0.000 0.370 372 P HA 0.323 nan 4.420 nan 0.000 0.271 372 P C -0.080 177.073 177.300 -0.244 0.000 1.233 372 P CA 0.599 63.596 63.100 -0.172 0.000 0.764 372 P CB -0.141 31.524 31.700 -0.058 0.000 0.825 373 Y N 1.891 122.135 120.300 -0.093 0.000 2.509 373 Y HA -0.016 4.530 4.550 -0.006 0.000 0.293 373 Y C 0.669 176.201 175.900 -0.613 0.000 1.133 373 Y CA 1.041 58.942 58.100 -0.332 0.000 1.283 373 Y CB -0.174 38.072 38.460 -0.356 0.000 1.001 373 Y HN 0.320 nan 8.280 nan 0.000 0.555 374 Y N -1.153 119.210 120.300 0.104 0.000 2.524 374 Y HA 0.345 4.891 4.550 -0.006 0.000 0.347 374 Y C -0.928 174.981 175.900 0.015 0.000 1.005 374 Y CA -1.896 56.234 58.100 0.050 0.000 1.025 374 Y CB 1.502 39.989 38.460 0.045 0.000 1.275 374 Y HN -0.306 nan 8.280 nan 0.000 0.460 375 D N 2.245 122.740 120.400 0.158 0.000 2.464 375 D HA 0.264 4.900 4.640 -0.006 0.000 0.243 375 D C 0.202 176.543 176.300 0.069 0.000 1.104 375 D CA -0.150 53.898 54.000 0.080 0.000 0.883 375 D CB 0.949 41.770 40.800 0.036 0.000 1.050 375 D HN 0.469 nan 8.370 nan 0.000 0.524 376 I N 2.806 123.408 120.570 0.053 0.000 2.315 376 I HA -0.114 4.053 4.170 -0.006 0.000 0.248 376 I C 2.337 178.452 176.117 -0.003 0.000 1.117 376 I CA 0.962 62.271 61.300 0.014 0.000 1.404 376 I CB -0.180 37.817 38.000 -0.006 0.000 1.071 376 I HN 0.520 nan 8.210 nan 0.000 0.419 377 A N -0.915 121.905 122.820 -0.000 0.000 1.972 377 A HA -0.184 4.132 4.320 -0.006 0.000 0.219 377 A C 2.497 180.078 177.584 -0.005 0.000 1.169 377 A CA 2.095 54.128 52.037 -0.007 0.000 0.635 377 A CB -0.777 18.220 19.000 -0.006 0.000 0.810 377 A HN 0.396 nan 8.150 nan 0.000 0.446 378 S N -0.345 115.357 115.700 0.002 0.000 2.387 378 S HA -0.041 4.425 4.470 -0.006 0.000 0.226 378 S C 1.758 176.355 174.600 -0.004 0.000 1.026 378 S CA 1.267 59.468 58.200 0.002 0.000 0.972 378 S CB -0.418 62.787 63.200 0.009 0.000 0.814 378 S HN 0.576 nan 8.310 nan 0.000 0.477 379 I N 1.276 121.842 120.570 -0.006 0.000 2.252 379 I HA -0.151 4.016 4.170 -0.006 0.000 0.245 379 I C 1.950 178.042 176.117 -0.042 0.000 1.102 379 I CA 1.136 62.421 61.300 -0.025 0.000 1.385 379 I CB -0.423 37.558 38.000 -0.031 0.000 1.064 379 I HN 0.229 nan 8.210 nan 0.000 0.414 380 I N 1.052 121.597 120.570 -0.042 0.000 2.286 380 I HA -0.260 3.906 4.170 -0.006 0.000 0.248 380 I C 2.550 178.650 176.117 -0.029 0.000 1.115 380 I CA 1.366 62.637 61.300 -0.048 0.000 1.392 380 I CB -0.399 37.576 38.000 -0.042 0.000 1.065 380 I HN 0.181 nan 8.210 nan 0.000 0.418 381 A N -0.242 122.568 122.820 -0.017 0.000 2.208 381 A HA 0.005 4.321 4.320 -0.006 0.000 0.209 381 A C 1.153 178.736 177.584 -0.003 0.000 1.161 381 A CA 0.134 52.167 52.037 -0.006 0.000 0.782 381 A CB -0.359 18.639 19.000 -0.003 0.000 0.816 381 A HN 0.395 nan 8.150 nan 0.000 0.477 382 Q N -0.434 119.361 119.800 -0.009 0.000 2.492 382 Q HA 0.445 4.781 4.340 -0.006 0.000 0.238 382 Q C 0.689 176.693 176.000 0.007 0.000 1.045 382 Q CA -0.107 55.693 55.803 -0.004 0.000 0.934 382 Q CB 0.581 29.310 28.738 -0.016 0.000 1.276 382 Q HN 0.487 nan 8.270 nan 0.000 0.521 383 A N 0.000 122.830 122.820 0.016 0.000 2.254 383 A HA 0.000 4.316 4.320 -0.006 0.000 0.244 383 A CA 0.000 52.056 52.037 0.032 0.000 0.836 383 A CB 0.000 19.020 19.000 0.034 0.000 0.831 383 A HN 0.000 nan 8.150 nan 0.000 0.486