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 1wyt_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDYTPHTEEE IREMLRRVGA ASLEDLFAHL PKEILSPPID LPEPLPEWKV DATA SEQUENCE LEELRRLAAQ NLPAHKAFLG GGVRSHHVPP VVQALAARGE FLTAYTPYQP DATA SEQUENCE EVSQGVLQAT FEYQTMIAEL AGLEIANASM YDGATALAEG VLLALRETGR DATA SEQUENCE MGVLVSQGVH PEYRAVLRAY LEAVGAKLLT LPLEGGRTPL PEVGEEVGAV DATA SEQUENCE VVQNPNFLGA LEDLGPFAEA AHGAGALFVA VADPLSLGVL KPPGAYGADI DATA SEQUENCE AVGDGQSLGL PMGFGGPHFG FLATKKAFVR QLPGRLVSET VDVEGRRGFI DATA SEQUENCE LTLQAREQYI RRAKAKSNIT TNAQLTALMG AMYLAALGPE GLREVALKSV DATA SEQUENCE EMAHKLHALL LEVPGVRPFT PKPFFNEFAL ALPKDPEAVR RALAERGFHG DATA SEQUENCE ATPVPREYGE NLALFAATEL HEEEDLLALR EALKEVL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.161 176.300 -0.231 0.000 1.140 1 M CA 0.000 55.202 55.300 -0.164 0.000 0.988 1 M CB 0.000 32.488 32.600 -0.187 0.000 1.302 2 D N -0.424 119.802 120.400 -0.290 0.000 2.610 2 D HA 0.497 5.137 4.640 -0.000 0.000 0.271 2 D C -0.901 175.107 176.300 -0.487 0.000 1.174 2 D CA -0.257 53.545 54.000 -0.330 0.000 0.949 2 D CB 1.174 41.911 40.800 -0.104 0.000 1.430 2 D HN 0.597 nan 8.370 nan 0.000 0.467 3 Y N -0.371 119.945 120.300 0.026 0.000 2.467 3 Y HA 0.154 4.704 4.550 -0.000 0.000 0.250 3 Y C 1.045 176.979 175.900 0.056 0.000 1.155 3 Y CA -0.187 57.933 58.100 0.034 0.000 1.249 3 Y CB 0.357 38.833 38.460 0.026 0.000 1.146 3 Y HN 0.374 nan 8.280 nan 0.000 0.524 4 T N -0.733 113.916 114.554 0.159 0.000 2.919 4 T HA 0.133 4.483 4.350 -0.000 0.000 0.302 4 T C -1.292 173.517 174.700 0.182 0.000 1.031 4 T CA -1.357 60.873 62.100 0.217 0.000 1.127 4 T CB 1.600 70.601 68.868 0.222 0.000 0.952 4 T HN 0.087 nan 8.240 nan 0.000 0.540 5 P HA 0.105 nan 4.420 nan 0.000 0.252 5 P C -0.258 177.034 177.300 -0.012 0.000 1.218 5 P CA -0.008 63.101 63.100 0.015 0.000 0.807 5 P CB -0.074 31.580 31.700 -0.076 0.000 1.072 6 H N 1.627 120.710 119.070 0.022 0.000 3.157 6 H HA 0.153 4.709 4.556 -0.000 0.000 0.299 6 H C 1.171 176.507 175.328 0.013 0.000 0.961 6 H CA 0.579 56.637 56.048 0.018 0.000 1.428 6 H CB -0.266 29.508 29.762 0.020 0.000 1.459 6 H HN 0.094 nan 8.280 nan 0.000 0.566 7 T N -0.241 114.370 114.554 0.094 0.000 2.918 7 T HA 0.142 4.492 4.350 -0.000 0.000 0.283 7 T C 1.215 175.957 174.700 0.070 0.000 1.001 7 T CA -0.974 61.162 62.100 0.061 0.000 1.041 7 T CB 1.280 70.167 68.868 0.031 0.000 1.028 7 T HN 0.698 nan 8.240 nan 0.000 0.511 8 E N 0.606 120.835 120.200 0.049 0.000 2.118 8 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 8 E C 2.135 178.758 176.600 0.038 0.000 0.992 8 E CA 1.425 57.850 56.400 0.042 0.000 0.804 8 E CB 0.059 29.776 29.700 0.028 0.000 0.741 8 E HN 0.772 nan 8.360 nan 0.000 0.458 9 E N 1.292 121.512 120.200 0.032 0.000 2.072 9 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 9 E C 1.747 178.367 176.600 0.033 0.000 0.985 9 E CA 1.099 57.515 56.400 0.026 0.000 0.801 9 E CB -0.455 29.256 29.700 0.019 0.000 0.750 9 E HN 0.427 nan 8.360 nan 0.000 0.452 10 E N 0.884 121.109 120.200 0.042 0.000 2.110 10 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 10 E C 2.345 178.992 176.600 0.079 0.000 0.988 10 E CA 0.797 57.227 56.400 0.051 0.000 0.804 10 E CB -0.218 29.508 29.700 0.043 0.000 0.745 10 E HN 0.257 nan 8.360 nan 0.000 0.458 11 I N 0.882 121.507 120.570 0.092 0.000 2.394 11 I HA -0.247 3.923 4.170 -0.000 0.000 0.251 11 I C 2.457 178.602 176.117 0.047 0.000 1.136 11 I CA 0.984 62.332 61.300 0.080 0.000 1.425 11 I CB -0.179 37.857 38.000 0.060 0.000 1.079 11 I HN 0.056 nan 8.210 nan 0.000 0.425 12 R N 0.751 121.274 120.500 0.038 0.000 2.062 12 R HA -0.139 4.201 4.340 -0.000 0.000 0.231 12 R C 2.176 178.490 176.300 0.023 0.000 1.136 12 R CA 1.400 57.516 56.100 0.026 0.000 0.948 12 R CB -0.303 30.010 30.300 0.022 0.000 0.845 12 R HN 0.433 nan 8.270 nan 0.000 0.430 13 E N 0.614 120.829 120.200 0.025 0.000 2.058 13 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 13 E C 2.077 178.689 176.600 0.021 0.000 0.997 13 E CA 1.492 57.904 56.400 0.020 0.000 0.801 13 E CB -0.145 29.567 29.700 0.019 0.000 0.746 13 E HN 0.299 nan 8.360 nan 0.000 0.450 14 M N 0.478 120.097 119.600 0.032 0.000 2.117 14 M HA -0.156 4.324 4.480 -0.000 0.000 0.262 14 M C 2.335 178.646 176.300 0.017 0.000 1.065 14 M CA 1.275 56.594 55.300 0.032 0.000 1.114 14 M CB -0.187 32.448 32.600 0.059 0.000 1.361 14 M HN 0.117 nan 8.290 nan 0.000 0.408 15 L N -0.560 120.673 121.223 0.016 0.000 2.046 15 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 15 L C 2.734 179.605 176.870 0.002 0.000 1.077 15 L CA 1.337 56.180 54.840 0.006 0.000 0.747 15 L CB -0.621 41.444 42.059 0.010 0.000 0.896 15 L HN 0.326 nan 8.230 nan 0.000 0.432 16 R N 0.208 120.711 120.500 0.006 0.000 2.096 16 R HA -0.221 4.119 4.340 -0.000 0.000 0.235 16 R C 2.403 178.703 176.300 -0.000 0.000 1.127 16 R CA 1.422 57.524 56.100 0.003 0.000 0.968 16 R CB -0.088 30.215 30.300 0.006 0.000 0.861 16 R HN 0.069 nan 8.270 nan 0.000 0.440 17 R N 0.525 121.026 120.500 0.001 0.000 2.148 17 R HA -0.070 4.270 4.340 -0.000 0.000 0.227 17 R C 1.794 178.089 176.300 -0.008 0.000 1.103 17 R CA 1.627 57.726 56.100 -0.001 0.000 0.983 17 R CB -0.165 30.137 30.300 0.003 0.000 0.874 17 R HN 0.321 nan 8.270 nan 0.000 0.451 18 V N -3.377 116.530 119.914 -0.012 0.000 3.542 18 V HA 0.441 4.561 4.120 -0.000 0.000 0.296 18 V C 0.903 176.980 176.094 -0.028 0.000 1.364 18 V CA 0.245 62.531 62.300 -0.024 0.000 1.118 18 V CB -0.141 31.663 31.823 -0.032 0.000 0.972 18 V HN 0.316 nan 8.190 nan 0.000 0.430 19 G N 0.106 108.895 108.800 -0.019 0.000 2.198 19 G HA2 0.008 3.968 3.960 -0.000 0.000 0.257 19 G HA3 0.008 3.968 3.960 -0.000 0.000 0.257 19 G C 0.182 175.072 174.900 -0.018 0.000 1.042 19 G CA 0.347 45.436 45.100 -0.018 0.000 0.791 19 G HN 1.706 nan 8.290 nan 0.000 0.502 20 A N -0.863 121.948 122.820 -0.014 0.000 2.337 20 A HA 0.960 5.280 4.320 -0.000 0.000 0.329 20 A C 1.092 178.678 177.584 0.003 0.000 1.146 20 A CA 0.459 52.491 52.037 -0.008 0.000 0.800 20 A CB 1.488 20.479 19.000 -0.016 0.000 1.220 20 A HN 1.646 nan 8.150 nan 0.000 0.472 21 A N 1.128 123.954 122.820 0.011 0.000 2.072 21 A HA 0.473 4.793 4.320 -0.000 0.000 0.216 21 A C 0.974 178.570 177.584 0.020 0.000 1.156 21 A CA 1.385 53.431 52.037 0.015 0.000 0.701 21 A CB -0.428 18.582 19.000 0.017 0.000 0.816 21 A HN 2.093 nan 8.150 nan 0.000 0.458 22 S N -3.496 112.221 115.700 0.027 0.000 2.656 22 S HA 0.377 4.847 4.470 -0.000 0.000 0.265 22 S C 0.016 174.648 174.600 0.053 0.000 1.110 22 S CA -0.428 57.793 58.200 0.035 0.000 0.821 22 S CB -0.122 63.101 63.200 0.037 0.000 1.099 22 S HN 0.009 nan 8.310 nan 0.000 0.471 23 L N 1.418 122.679 121.223 0.064 0.000 2.079 23 L HA 0.029 4.369 4.340 -0.000 0.000 0.210 23 L C 2.440 179.434 176.870 0.208 0.000 1.081 23 L CA 2.120 57.025 54.840 0.109 0.000 0.752 23 L CB -1.530 40.585 42.059 0.093 0.000 0.896 23 L HN 0.872 nan 8.230 nan 0.000 0.433 24 E N -1.045 119.250 120.200 0.158 0.000 2.150 24 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 24 E C 1.834 178.564 176.600 0.217 0.000 0.985 24 E CA 1.026 57.541 56.400 0.191 0.000 0.814 24 E CB -0.243 29.509 29.700 0.086 0.000 0.752 24 E HN 0.406 nan 8.360 nan 0.000 0.466 25 D N -0.182 120.296 120.400 0.131 0.000 2.264 25 D HA -0.070 4.570 4.640 -0.000 0.000 0.208 25 D C 1.390 177.737 176.300 0.078 0.000 0.966 25 D CA 0.530 54.586 54.000 0.093 0.000 0.864 25 D CB 0.074 40.905 40.800 0.051 0.000 0.933 25 D HN 0.130 nan 8.370 nan 0.000 0.499 26 L N -0.850 120.399 121.223 0.044 0.000 2.275 26 L HA -0.089 4.251 4.340 -0.000 0.000 0.215 26 L C 0.883 177.597 176.870 -0.259 0.000 1.119 26 L CA 0.607 55.351 54.840 -0.161 0.000 0.790 26 L CB -0.184 41.680 42.059 -0.325 0.000 0.919 26 L HN 0.083 nan 8.230 nan 0.000 0.443 27 F N -1.258 118.742 119.950 0.083 0.000 2.647 27 F HA 0.292 4.819 4.527 -0.000 0.000 0.300 27 F C 1.939 177.746 175.800 0.011 0.000 1.106 27 F CA 0.047 58.066 58.000 0.031 0.000 1.313 27 F CB -0.454 38.530 39.000 -0.028 0.000 1.007 27 F HN -0.111 nan 8.300 nan 0.000 0.536 28 A N 0.253 123.205 122.820 0.219 0.000 2.070 28 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 28 A C 2.076 179.746 177.584 0.143 0.000 1.159 28 A CA 1.860 53.988 52.037 0.151 0.000 0.656 28 A CB -0.980 18.092 19.000 0.119 0.000 0.800 28 A HN 0.582 nan 8.150 nan 0.000 0.453 29 H N -1.708 117.382 119.070 0.033 0.000 2.551 29 H HA 0.262 4.818 4.556 -0.000 0.000 0.266 29 H C 0.197 175.547 175.328 0.035 0.000 0.964 29 H CA -0.226 55.835 56.048 0.021 0.000 1.180 29 H CB -0.664 29.098 29.762 -0.000 0.000 1.408 29 H HN 0.270 nan 8.280 nan 0.000 0.563 30 L N 3.141 124.153 121.223 -0.351 0.000 2.472 30 L HA 0.222 4.562 4.340 -0.000 0.000 0.260 30 L C -1.813 175.012 176.870 -0.076 0.000 1.209 30 L CA -1.921 52.779 54.840 -0.232 0.000 0.817 30 L CB 0.255 42.224 42.059 -0.151 0.000 1.106 30 L HN 0.080 nan 8.230 nan 0.000 0.479 31 P HA 0.071 nan 4.420 nan 0.000 0.270 31 P C -0.347 176.941 177.300 -0.020 0.000 1.242 31 P CA -0.334 62.752 63.100 -0.024 0.000 0.768 31 P CB 0.770 32.458 31.700 -0.020 0.000 0.820 32 K N 2.982 123.376 120.400 -0.009 0.000 2.074 32 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 32 K C 1.839 178.430 176.600 -0.014 0.000 1.048 32 K CA 1.648 57.930 56.287 -0.008 0.000 0.926 32 K CB -0.433 32.067 32.500 0.001 0.000 0.713 32 K HN 0.535 nan 8.250 nan 0.000 0.444 33 E N 0.688 120.880 120.200 -0.013 0.000 2.331 33 E HA -0.181 4.169 4.350 -0.000 0.000 0.199 33 E C 1.481 178.068 176.600 -0.021 0.000 1.008 33 E CA 1.222 57.613 56.400 -0.015 0.000 0.843 33 E CB -0.445 29.248 29.700 -0.012 0.000 0.761 33 E HN 0.687 nan 8.360 nan 0.000 0.507 34 I N -2.475 118.080 120.570 -0.026 0.000 4.050 34 I HA 0.306 4.476 4.170 -0.000 0.000 0.327 34 I C 0.194 176.283 176.117 -0.047 0.000 1.473 34 I CA -0.860 60.420 61.300 -0.033 0.000 1.124 34 I CB 0.299 38.281 38.000 -0.030 0.000 1.129 34 I HN -0.153 nan 8.210 nan 0.000 0.428 35 L N 1.981 123.175 121.223 -0.049 0.000 2.397 35 L HA 0.389 4.729 4.340 -0.000 0.000 0.271 35 L C 0.803 177.622 176.870 -0.086 0.000 1.148 35 L CA 0.779 55.574 54.840 -0.075 0.000 0.825 35 L CB 0.869 42.893 42.059 -0.059 0.000 1.117 35 L HN 0.371 nan 8.230 nan 0.000 0.456 36 S N 3.009 118.633 115.700 -0.126 0.000 3.484 36 S HA -0.120 4.350 4.470 -0.000 0.000 0.384 36 S C -2.088 172.464 174.600 -0.079 0.000 0.932 36 S CA 0.260 58.390 58.200 -0.117 0.000 1.293 36 S CB -1.922 61.215 63.200 -0.105 0.000 0.919 36 S HN 0.696 nan 8.310 nan 0.000 0.540 37 P HA 0.321 nan 4.420 nan 0.000 0.274 37 P C -2.452 174.818 177.300 -0.050 0.000 1.237 37 P CA -1.479 61.589 63.100 -0.053 0.000 0.793 37 P CB 0.022 31.692 31.700 -0.049 0.000 0.977 38 P HA 0.241 nan 4.420 nan 0.000 0.241 38 P C 0.078 177.358 177.300 -0.034 0.000 1.760 38 P CA -0.000 63.078 63.100 -0.036 0.000 1.081 38 P CB -0.355 31.328 31.700 -0.029 0.000 1.975 39 I N 1.597 122.144 120.570 -0.039 0.000 2.588 39 I HA 0.046 4.216 4.170 -0.000 0.000 0.283 39 I C 0.845 176.943 176.117 -0.031 0.000 1.119 39 I CA 0.193 61.472 61.300 -0.035 0.000 1.419 39 I CB 0.322 38.299 38.000 -0.039 0.000 1.394 39 I HN 0.134 nan 8.210 nan 0.000 0.562 40 D N 6.859 127.243 120.400 -0.027 0.000 2.329 40 D HA 0.557 5.197 4.640 -0.000 0.000 0.232 40 D C -1.186 175.099 176.300 -0.024 0.000 1.088 40 D CA -0.201 53.784 54.000 -0.024 0.000 0.835 40 D CB 0.851 41.638 40.800 -0.021 0.000 1.078 40 D HN 0.087 nan 8.370 nan 0.000 0.495 41 L N 4.338 125.545 121.223 -0.026 0.000 2.424 41 L HA 0.556 4.896 4.340 -0.000 0.000 0.258 41 L C -2.085 174.768 176.870 -0.028 0.000 0.995 41 L CA -1.844 52.981 54.840 -0.026 0.000 0.821 41 L CB 1.774 43.817 42.059 -0.027 0.000 1.383 41 L HN 0.378 nan 8.230 nan 0.000 0.410 42 P HA 0.170 nan 4.420 nan 0.000 0.271 42 P C -0.598 176.678 177.300 -0.039 0.000 1.218 42 P CA -0.475 62.605 63.100 -0.033 0.000 0.780 42 P CB 0.573 32.252 31.700 -0.036 0.000 0.901 43 E N 2.610 122.785 120.200 -0.041 0.000 2.437 43 E HA 0.060 4.410 4.350 -0.000 0.000 0.263 43 E C -1.612 174.953 176.600 -0.059 0.000 1.030 43 E CA -0.995 55.378 56.400 -0.046 0.000 0.934 43 E CB -0.605 29.070 29.700 -0.043 0.000 0.943 43 E HN 0.428 nan 8.360 nan 0.000 0.444 44 P HA 0.079 nan 4.420 nan 0.000 0.268 44 P C -0.414 176.822 177.300 -0.106 0.000 1.208 44 P CA 0.278 63.332 63.100 -0.076 0.000 0.777 44 P CB 0.605 32.263 31.700 -0.069 0.000 0.875 45 L N 2.122 123.264 121.223 -0.135 0.000 2.409 45 L HA 0.473 4.813 4.340 -0.000 0.000 0.262 45 L C -2.266 174.452 176.870 -0.253 0.000 0.992 45 L CA -2.455 52.258 54.840 -0.211 0.000 0.817 45 L CB 2.478 44.394 42.059 -0.237 0.000 1.350 45 L HN 0.267 nan 8.230 nan 0.000 0.411 46 P HA 0.049 nan 4.420 nan 0.000 0.272 46 P C 0.098 177.160 177.300 -0.396 0.000 1.223 46 P CA -0.342 62.544 63.100 -0.357 0.000 0.784 46 P CB 0.731 32.178 31.700 -0.421 0.000 0.923 47 E N 2.762 122.860 120.200 -0.170 0.000 2.097 47 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 47 E C 1.760 178.329 176.600 -0.053 0.000 1.000 47 E CA 1.298 57.658 56.400 -0.066 0.000 0.804 47 E CB -0.940 28.791 29.700 0.051 0.000 0.740 47 E HN 0.640 nan 8.360 nan 0.000 0.454 48 W N 2.052 123.357 121.300 0.008 0.000 2.342 48 W HA -0.084 4.576 4.660 -0.000 0.000 0.297 48 W C 1.815 178.337 176.519 0.005 0.000 1.213 48 W CA 1.106 58.455 57.345 0.007 0.000 1.251 48 W CB -0.681 28.781 29.460 0.004 0.000 1.136 48 W HN 0.044 nan 8.180 nan 0.000 0.526 49 K N 1.471 121.362 120.400 -0.849 0.000 2.148 49 K HA -0.091 4.229 4.320 -0.000 0.000 0.204 49 K C 1.966 178.395 176.600 -0.286 0.000 1.050 49 K CA 1.796 57.641 56.287 -0.737 0.000 0.942 49 K CB -0.526 31.306 32.500 -1.112 0.000 0.724 49 K HN 0.048 nan 8.250 nan 0.000 0.446 50 V N 0.941 120.714 119.914 -0.235 0.000 2.427 50 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 50 V C 2.161 178.229 176.094 -0.044 0.000 1.051 50 V CA 1.501 63.732 62.300 -0.114 0.000 1.048 50 V CB -0.355 31.418 31.823 -0.084 0.000 0.666 50 V HN 0.293 nan 8.190 nan 0.000 0.456 51 L N -0.260 120.960 121.223 -0.005 0.000 2.109 51 L HA -0.155 4.184 4.340 -0.000 0.000 0.207 51 L C 2.584 179.479 176.870 0.042 0.000 1.086 51 L CA 1.712 56.573 54.840 0.035 0.000 0.760 51 L CB -0.472 41.633 42.059 0.076 0.000 0.910 51 L HN 0.421 nan 8.230 nan 0.000 0.437 52 E N 0.333 120.570 120.200 0.062 0.000 2.077 52 E HA -0.296 4.054 4.350 -0.000 0.000 0.193 52 E C 2.017 178.634 176.600 0.029 0.000 0.989 52 E CA 1.414 57.858 56.400 0.073 0.000 0.800 52 E CB 0.168 29.945 29.700 0.128 0.000 0.746 52 E HN 0.280 nan 8.360 nan 0.000 0.452 53 E N 0.648 120.847 120.200 -0.002 0.000 2.106 53 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 53 E C 2.079 178.672 176.600 -0.012 0.000 0.984 53 E CA 0.883 57.274 56.400 -0.015 0.000 0.806 53 E CB -0.277 29.400 29.700 -0.039 0.000 0.750 53 E HN 0.333 nan 8.360 nan 0.000 0.458 54 L N -0.059 121.159 121.223 -0.009 0.000 2.056 54 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 54 L C 2.693 179.560 176.870 -0.005 0.000 1.078 54 L CA 1.275 56.109 54.840 -0.009 0.000 0.749 54 L CB -0.266 41.791 42.059 -0.004 0.000 0.901 54 L HN 0.088 nan 8.230 nan 0.000 0.433 55 R N -0.591 119.913 120.500 0.006 0.000 2.096 55 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 55 R C 2.373 178.675 176.300 0.004 0.000 1.127 55 R CA 1.101 57.206 56.100 0.008 0.000 0.968 55 R CB -0.301 30.012 30.300 0.022 0.000 0.861 55 R HN 0.304 nan 8.270 nan 0.000 0.440 56 R N 1.000 121.503 120.500 0.005 0.000 2.092 56 R HA -0.075 4.265 4.340 -0.000 0.000 0.231 56 R C 2.124 178.419 176.300 -0.008 0.000 1.119 56 R CA 1.053 57.154 56.100 0.002 0.000 0.970 56 R CB -0.098 30.204 30.300 0.005 0.000 0.864 56 R HN 0.190 nan 8.270 nan 0.000 0.440 57 L N -0.098 121.116 121.223 -0.016 0.000 2.156 57 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 57 L C 2.588 179.436 176.870 -0.037 0.000 1.095 57 L CA 1.036 55.859 54.840 -0.028 0.000 0.770 57 L CB -0.375 41.663 42.059 -0.035 0.000 0.914 57 L HN 0.259 nan 8.230 nan 0.000 0.439 58 A N -0.016 122.786 122.820 -0.030 0.000 1.968 58 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 58 A C 2.448 180.020 177.584 -0.021 0.000 1.169 58 A CA 1.338 53.355 52.037 -0.033 0.000 0.638 58 A CB -0.487 18.500 19.000 -0.022 0.000 0.812 58 A HN 0.362 nan 8.150 nan 0.000 0.446 59 A N -0.713 122.100 122.820 -0.012 0.000 2.119 59 A HA -0.109 4.210 4.320 -0.000 0.000 0.217 59 A C 1.961 179.542 177.584 -0.004 0.000 1.153 59 A CA 1.248 53.283 52.037 -0.004 0.000 0.692 59 A CB -0.395 18.605 19.000 0.001 0.000 0.799 59 A HN 0.653 nan 8.150 nan 0.000 0.458 60 Q N 0.125 119.918 119.800 -0.013 0.000 2.378 60 Q HA -0.014 4.326 4.340 -0.000 0.000 0.205 60 Q C -0.148 175.846 176.000 -0.010 0.000 0.954 60 Q CA 0.251 56.047 55.803 -0.012 0.000 0.901 60 Q CB 0.012 28.737 28.738 -0.021 0.000 0.981 60 Q HN 0.623 nan 8.270 nan 0.000 0.483 61 N N 0.719 119.410 118.700 -0.016 0.000 2.482 61 N HA 0.232 4.971 4.740 -0.000 0.000 0.279 61 N C -0.963 174.568 175.510 0.035 0.000 1.182 61 N CA -0.460 52.587 53.050 -0.005 0.000 0.969 61 N CB 1.240 39.699 38.487 -0.047 0.000 1.201 61 N HN -0.025 nan 8.380 nan 0.000 0.523 62 L N 2.907 124.184 121.223 0.089 0.000 2.276 62 L HA 0.433 4.773 4.340 -0.000 0.000 0.286 62 L C -2.221 174.784 176.870 0.226 0.000 1.024 62 L CA -1.865 53.061 54.840 0.143 0.000 0.826 62 L CB 0.464 42.615 42.059 0.153 0.000 1.211 62 L HN 0.384 nan 8.230 nan 0.000 0.422 63 P HA 0.039 nan 4.420 nan 0.000 0.265 63 P C -0.355 177.049 177.300 0.174 0.000 1.187 63 P CA -0.084 63.086 63.100 0.116 0.000 0.766 63 P CB 0.881 32.632 31.700 0.086 0.000 0.820 64 A N 1.729 124.564 122.820 0.025 0.000 2.460 64 A HA 0.059 4.379 4.320 -0.000 0.000 0.258 64 A C 0.726 178.316 177.584 0.009 0.000 1.300 64 A CA -0.085 51.903 52.037 -0.081 0.000 0.913 64 A CB -1.153 17.653 19.000 -0.324 0.000 1.031 64 A HN 0.721 nan 8.150 nan 0.000 0.512 65 H N 0.909 119.978 119.070 -0.002 0.000 3.004 65 H HA 0.224 4.780 4.556 -0.000 0.000 0.316 65 H C 0.812 176.114 175.328 -0.043 0.000 1.014 65 H CA 1.442 57.474 56.048 -0.026 0.000 1.454 65 H CB 0.144 29.899 29.762 -0.013 0.000 1.472 65 H HN 0.371 nan 8.280 nan 0.000 0.571 66 K N 1.592 121.542 120.400 -0.749 0.000 3.391 66 K HA -0.189 4.131 4.320 -0.000 0.000 0.307 66 K C -0.285 176.123 176.600 -0.319 0.000 1.304 66 K CA 0.351 56.265 56.287 -0.622 0.000 0.904 66 K CB -1.369 30.843 32.500 -0.480 0.000 1.293 66 K HN 0.783 nan 8.250 nan 0.000 0.470 67 A N -0.149 122.554 122.820 -0.195 0.000 2.429 67 A HA 0.384 4.704 4.320 -0.000 0.000 0.242 67 A C 0.480 178.006 177.584 -0.097 0.000 1.088 67 A CA 0.420 52.433 52.037 -0.039 0.000 0.784 67 A CB -0.037 18.969 19.000 0.010 0.000 1.038 67 A HN 0.289 nan 8.150 nan 0.000 0.501 68 F N -0.380 119.686 119.950 0.193 0.000 2.653 68 F HA 0.272 4.798 4.527 -0.000 0.000 0.304 68 F C 0.302 176.118 175.800 0.027 0.000 1.092 68 F CA -0.044 58.031 58.000 0.125 0.000 1.279 68 F CB -0.092 38.984 39.000 0.127 0.000 1.044 68 F HN 0.245 nan 8.300 nan 0.000 0.564 69 L N -0.184 121.118 121.223 0.132 0.000 2.417 69 L HA 0.545 4.885 4.340 -0.000 0.000 0.268 69 L C 0.948 177.805 176.870 -0.020 0.000 1.158 69 L CA -0.056 54.786 54.840 0.004 0.000 0.819 69 L CB 0.423 42.484 42.059 0.003 0.000 1.112 69 L HN 0.203 nan 8.230 nan 0.000 0.458 70 G N -0.560 108.195 108.800 -0.075 0.000 3.183 70 G HA2 0.553 4.513 3.960 -0.000 0.000 0.247 70 G HA3 0.553 4.513 3.960 -0.000 0.000 0.247 70 G C 0.027 174.905 174.900 -0.037 0.000 1.211 70 G CA -0.312 44.756 45.100 -0.053 0.000 0.835 70 G HN 0.927 nan 8.290 nan 0.000 0.604 71 G N -1.729 107.049 108.800 -0.037 0.000 2.414 71 G HA2 0.378 4.338 3.960 -0.000 0.000 0.256 71 G HA3 0.378 4.338 3.960 -0.000 0.000 0.256 71 G C 1.330 176.427 174.900 0.329 0.000 1.128 71 G CA 0.981 46.131 45.100 0.083 0.000 0.944 71 G HN 2.567 nan 8.290 nan 0.000 0.500 72 G N -2.922 106.018 108.800 0.233 0.000 2.279 72 G HA2 0.059 4.019 3.960 -0.000 0.000 0.223 72 G HA3 0.059 4.019 3.960 -0.000 0.000 0.223 72 G C 0.304 175.305 174.900 0.168 0.000 1.015 72 G CA 0.488 45.701 45.100 0.188 0.000 0.621 72 G HN 1.782 nan 8.290 nan 0.000 0.506 73 V N 1.234 121.234 119.914 0.143 0.000 2.709 73 V HA 0.845 4.965 4.120 -0.000 0.000 0.308 73 V C -0.002 176.134 176.094 0.070 0.000 1.062 73 V CA -0.852 61.517 62.300 0.114 0.000 0.901 73 V CB 1.847 33.721 31.823 0.086 0.000 1.003 73 V HN 0.469 nan 8.190 nan 0.000 0.425 74 R N 1.418 121.955 120.500 0.063 0.000 2.774 74 R HA 0.520 4.860 4.340 -0.000 0.000 0.272 74 R C -0.741 175.490 176.300 -0.115 0.000 1.000 74 R CA -0.749 55.324 56.100 -0.044 0.000 0.906 74 R CB 2.129 32.371 30.300 -0.098 0.000 1.227 74 R HN 0.614 nan 8.270 nan 0.000 0.468 75 S N 1.763 117.328 115.700 -0.224 0.000 3.036 75 S HA 0.164 4.633 4.470 -0.000 0.000 0.301 75 S C -0.398 174.014 174.600 -0.314 0.000 1.205 75 S CA -0.407 57.658 58.200 -0.225 0.000 0.999 75 S CB -0.375 62.662 63.200 -0.271 0.000 1.337 75 S HN 0.368 nan 8.310 nan 0.000 0.515 76 H N 2.029 121.069 119.070 -0.051 0.000 2.517 76 H HA 0.214 4.770 4.556 -0.000 0.000 0.346 76 H C -0.011 175.353 175.328 0.060 0.000 1.222 76 H CA -0.495 55.551 56.048 -0.002 0.000 1.314 76 H CB 0.776 30.544 29.762 0.010 0.000 1.609 76 H HN 0.668 nan 8.280 nan 0.000 0.571 77 H N 0.586 119.766 119.070 0.184 0.000 2.848 77 H HA 0.136 4.692 4.556 -0.000 0.000 0.317 77 H C -0.844 174.584 175.328 0.166 0.000 1.046 77 H CA -0.158 55.985 56.048 0.158 0.000 1.470 77 H CB 0.162 30.014 29.762 0.149 0.000 1.483 77 H HN 0.111 nan 8.280 nan 0.000 0.548 78 V N 9.622 129.309 119.914 -0.379 0.000 2.304 78 V HA 0.201 4.321 4.120 -0.000 0.000 0.262 78 V C -1.943 173.813 176.094 -0.563 0.000 1.061 78 V CA -1.634 60.481 62.300 -0.309 0.000 0.872 78 V CB 0.509 32.255 31.823 -0.128 0.000 1.077 78 V HN 0.854 nan 8.190 nan 0.000 0.480 79 P HA 0.095 nan 4.420 nan 0.000 0.261 79 P C -1.990 175.278 177.300 -0.053 0.000 1.203 79 P CA -1.051 61.931 63.100 -0.197 0.000 0.767 79 P CB 0.767 32.505 31.700 0.063 0.000 0.785 80 P HA -0.152 nan 4.420 nan 0.000 0.219 80 P C 1.524 178.844 177.300 0.033 0.000 1.146 80 P CA 0.691 63.804 63.100 0.022 0.000 0.808 80 P CB 0.032 31.762 31.700 0.050 0.000 0.779 81 V N -0.140 119.801 119.914 0.045 0.000 2.515 81 V HA -0.156 3.963 4.120 -0.000 0.000 0.250 81 V C 2.368 178.485 176.094 0.039 0.000 1.058 81 V CA 1.559 63.885 62.300 0.043 0.000 1.064 81 V CB -0.727 31.122 31.823 0.043 0.000 0.675 81 V HN -0.092 nan 8.190 nan 0.000 0.461 82 V N -0.193 119.745 119.914 0.040 0.000 2.379 82 V HA -0.157 3.963 4.120 -0.000 0.000 0.245 82 V C 2.605 178.713 176.094 0.023 0.000 1.044 82 V CA 1.861 64.183 62.300 0.038 0.000 1.036 82 V CB -0.624 31.242 31.823 0.071 0.000 0.664 82 V HN 0.498 nan 8.190 nan 0.000 0.453 83 Q N -0.110 119.701 119.800 0.017 0.000 2.167 83 Q HA -0.030 4.310 4.340 -0.000 0.000 0.202 83 Q C 2.374 178.390 176.000 0.026 0.000 0.970 83 Q CA 1.634 57.445 55.803 0.013 0.000 0.855 83 Q CB -0.536 28.203 28.738 0.002 0.000 0.911 83 Q HN 0.643 nan 8.270 nan 0.000 0.438 84 A N 0.660 123.500 122.820 0.032 0.000 1.898 84 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 84 A C 2.212 179.832 177.584 0.059 0.000 1.181 84 A CA 0.881 52.942 52.037 0.040 0.000 0.620 84 A CB -0.602 18.420 19.000 0.038 0.000 0.819 84 A HN 0.301 nan 8.150 nan 0.000 0.442 85 L N -0.854 120.408 121.223 0.066 0.000 2.093 85 L HA -0.124 4.215 4.340 -0.000 0.000 0.208 85 L C 2.854 179.814 176.870 0.150 0.000 1.085 85 L CA 0.985 55.890 54.840 0.108 0.000 0.755 85 L CB -0.390 41.720 42.059 0.086 0.000 0.904 85 L HN 0.416 nan 8.230 nan 0.000 0.435 86 A N -0.386 122.476 122.820 0.069 0.000 2.206 86 A HA 0.159 4.479 4.320 -0.000 0.000 0.211 86 A C 2.244 179.890 177.584 0.102 0.000 1.158 86 A CA 1.041 53.107 52.037 0.049 0.000 0.761 86 A CB -0.368 18.614 19.000 -0.030 0.000 0.801 86 A HN 0.353 nan 8.150 nan 0.000 0.473 87 A N -0.456 122.420 122.820 0.093 0.000 2.218 87 A HA 0.159 4.479 4.320 -0.000 0.000 0.209 87 A C 1.045 178.679 177.584 0.083 0.000 1.168 87 A CA -0.335 51.746 52.037 0.073 0.000 0.804 87 A CB -0.093 18.936 19.000 0.047 0.000 0.834 87 A HN 0.309 nan 8.150 nan 0.000 0.482 88 R N 0.232 120.806 120.500 0.123 0.000 2.502 88 R HA 0.026 4.366 4.340 -0.000 0.000 0.292 88 R C 1.494 177.817 176.300 0.038 0.000 0.998 88 R CA 0.560 56.699 56.100 0.066 0.000 1.056 88 R CB -0.023 30.309 30.300 0.053 0.000 0.939 88 R HN 0.313 nan 8.270 nan 0.000 0.411 89 G N 3.116 111.913 108.800 -0.006 0.000 2.469 89 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.220 89 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.220 89 G C 0.974 175.854 174.900 -0.033 0.000 1.136 89 G CA 0.601 45.694 45.100 -0.011 0.000 0.759 89 G HN 0.578 nan 8.290 nan 0.000 0.562 90 E N -0.206 119.920 120.200 -0.123 0.000 2.204 90 E HA -0.028 4.322 4.350 -0.000 0.000 0.195 90 E C 1.920 178.434 176.600 -0.143 0.000 0.990 90 E CA 0.781 57.066 56.400 -0.191 0.000 0.821 90 E CB -0.194 29.296 29.700 -0.350 0.000 0.750 90 E HN 0.531 nan 8.360 nan 0.000 0.477 91 F N -0.698 119.248 119.950 -0.007 0.000 2.317 91 F HA 0.126 4.653 4.527 -0.000 0.000 0.290 91 F C 1.867 177.661 175.800 -0.010 0.000 1.075 91 F CA -0.019 57.972 58.000 -0.015 0.000 1.380 91 F CB -0.616 38.369 39.000 -0.024 0.000 1.093 91 F HN 0.009 nan 8.300 nan 0.000 0.524 92 L N 0.181 121.518 121.223 0.190 0.000 2.046 92 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 92 L C 2.276 179.191 176.870 0.074 0.000 1.077 92 L CA 2.365 57.267 54.840 0.104 0.000 0.747 92 L CB -0.942 41.159 42.059 0.070 0.000 0.896 92 L HN 0.314 nan 8.230 nan 0.000 0.432 93 T N -3.431 111.158 114.554 0.059 0.000 3.069 93 T HA 0.504 4.854 4.350 -0.000 0.000 0.252 93 T C 0.762 175.499 174.700 0.063 0.000 1.053 93 T CA 0.087 62.212 62.100 0.042 0.000 0.964 93 T CB -0.273 68.603 68.868 0.012 0.000 1.005 93 T HN 0.305 nan 8.240 nan 0.000 0.532 94 A N 0.791 123.662 122.820 0.086 0.000 2.296 94 A HA 0.645 4.965 4.320 -0.000 0.000 0.264 94 A C -0.512 177.186 177.584 0.189 0.000 1.097 94 A CA -0.584 51.516 52.037 0.105 0.000 0.811 94 A CB 0.305 19.355 19.000 0.083 0.000 1.072 94 A HN 0.460 nan 8.150 nan 0.000 0.495 95 Y N -0.799 119.499 120.300 -0.003 0.000 2.753 95 Y HA 0.450 5.000 4.550 -0.000 0.000 0.324 95 Y C 0.696 176.547 175.900 -0.082 0.000 1.147 95 Y CA -0.974 57.114 58.100 -0.021 0.000 1.173 95 Y CB 0.787 39.252 38.460 0.008 0.000 1.361 95 Y HN 0.688 nan 8.280 nan 0.000 0.545 96 T N 5.898 119.874 114.554 -0.963 0.000 2.765 96 T HA 0.035 4.385 4.350 -0.000 0.000 0.275 96 T C -2.455 171.848 174.700 -0.663 0.000 1.007 96 T CA -0.322 61.228 62.100 -0.917 0.000 1.175 96 T CB -0.270 67.783 68.868 -1.358 0.000 0.993 96 T HN 0.297 nan 8.240 nan 0.000 0.510 97 P HA 0.073 nan 4.420 nan 0.000 0.244 97 P C -0.162 177.030 177.300 -0.179 0.000 1.723 97 P CA -0.105 62.865 63.100 -0.217 0.000 1.110 97 P CB -0.131 31.503 31.700 -0.110 0.000 1.972 98 Y N -0.051 120.245 120.300 -0.006 0.000 2.519 98 Y HA 0.023 4.573 4.550 -0.000 0.000 0.287 98 Y C 1.571 177.483 175.900 0.019 0.000 1.128 98 Y CA 0.760 58.864 58.100 0.007 0.000 1.282 98 Y CB 0.005 38.474 38.460 0.015 0.000 1.027 98 Y HN 0.216 nan 8.280 nan 0.000 0.551 99 Q N 1.542 121.433 119.800 0.151 0.000 2.626 99 Q HA 0.196 4.536 4.340 -0.000 0.000 0.239 99 Q C -1.822 174.217 176.000 0.066 0.000 1.101 99 Q CA -2.026 53.837 55.803 0.099 0.000 0.918 99 Q CB 0.854 29.644 28.738 0.088 0.000 1.151 99 Q HN 0.219 nan 8.270 nan 0.000 0.531 100 P HA -0.212 nan 4.420 nan 0.000 0.217 100 P C 0.290 177.616 177.300 0.043 0.000 1.148 100 P CA 1.329 64.459 63.100 0.051 0.000 0.828 100 P CB 0.603 32.333 31.700 0.050 0.000 0.783 101 E N -0.067 120.154 120.200 0.034 0.000 2.265 101 E HA -0.087 4.263 4.350 -0.000 0.000 0.196 101 E C 1.681 178.297 176.600 0.025 0.000 0.996 101 E CA 1.197 57.612 56.400 0.025 0.000 0.832 101 E CB -0.514 29.197 29.700 0.018 0.000 0.756 101 E HN 0.325 nan 8.360 nan 0.000 0.491 102 V N -3.639 116.292 119.914 0.029 0.000 3.276 102 V HA 0.322 4.442 4.120 -0.000 0.000 0.319 102 V C 0.664 176.772 176.094 0.023 0.000 1.427 102 V CA -0.194 62.119 62.300 0.022 0.000 1.102 102 V CB 0.754 32.589 31.823 0.021 0.000 1.020 102 V HN -0.015 nan 8.190 nan 0.000 0.456 103 S N 0.647 116.368 115.700 0.035 0.000 2.843 103 S HA 0.266 4.736 4.470 -0.000 0.000 0.249 103 S C 1.221 175.857 174.600 0.062 0.000 1.047 103 S CA -0.359 57.863 58.200 0.038 0.000 1.042 103 S CB 0.429 63.645 63.200 0.026 0.000 0.936 103 S HN 0.458 nan 8.310 nan 0.000 0.531 104 Q N 1.118 120.961 119.800 0.071 0.000 2.291 104 Q HA 0.003 4.342 4.340 -0.000 0.000 0.205 104 Q C 2.095 178.162 176.000 0.112 0.000 0.970 104 Q CA 1.249 57.120 55.803 0.115 0.000 0.876 104 Q CB -0.556 28.252 28.738 0.116 0.000 0.935 104 Q HN 0.638 nan 8.270 nan 0.000 0.455 105 G N 0.164 109.019 108.800 0.092 0.000 2.414 105 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.215 105 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.215 105 G C 1.610 176.642 174.900 0.220 0.000 1.188 105 G CA 0.790 45.976 45.100 0.144 0.000 0.783 105 G HN 0.262 nan 8.290 nan 0.000 0.537 106 V N 0.853 120.883 119.914 0.194 0.000 2.307 106 V HA -0.084 4.036 4.120 -0.000 0.000 0.245 106 V C 2.875 178.993 176.094 0.039 0.000 1.045 106 V CA 1.048 63.431 62.300 0.139 0.000 1.024 106 V CB -0.321 31.557 31.823 0.092 0.000 0.651 106 V HN 0.192 nan 8.190 nan 0.000 0.449 107 L N -0.220 121.032 121.223 0.048 0.000 2.083 107 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 107 L C 2.436 179.277 176.870 -0.049 0.000 1.083 107 L CA 2.003 56.873 54.840 0.050 0.000 0.752 107 L CB -1.438 40.701 42.059 0.133 0.000 0.899 107 L HN 0.493 nan 8.230 nan 0.000 0.433 108 Q N -0.795 118.924 119.800 -0.136 0.000 2.083 108 Q HA -0.139 4.201 4.340 -0.000 0.000 0.198 108 Q C 2.229 178.078 176.000 -0.251 0.000 0.969 108 Q CA 1.579 57.079 55.803 -0.505 0.000 0.838 108 Q CB 0.103 28.644 28.738 -0.328 0.000 0.900 108 Q HN 0.444 nan 8.270 nan 0.000 0.436 109 A N 0.112 122.871 122.820 -0.102 0.000 1.908 109 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 109 A C 2.199 179.743 177.584 -0.067 0.000 1.181 109 A CA 2.012 53.995 52.037 -0.091 0.000 0.627 109 A CB -1.018 17.900 19.000 -0.137 0.000 0.818 109 A HN 0.497 nan 8.150 nan 0.000 0.445 110 T N -0.939 113.582 114.554 -0.054 0.000 2.788 110 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 110 T C 1.578 176.330 174.700 0.086 0.000 1.044 110 T CA 1.467 63.570 62.100 0.004 0.000 1.139 110 T CB -0.362 68.497 68.868 -0.014 0.000 0.867 110 T HN 0.486 nan 8.240 nan 0.000 0.454 111 F N 2.217 122.077 119.950 -0.151 0.000 2.113 111 F HA -0.055 4.472 4.527 -0.000 0.000 0.297 111 F C 2.226 177.949 175.800 -0.128 0.000 1.103 111 F CA 1.288 59.192 58.000 -0.161 0.000 1.248 111 F CB -0.295 38.450 39.000 -0.424 0.000 0.999 111 F HN 0.176 nan 8.300 nan 0.000 0.475 112 E N -1.140 118.991 120.200 -0.115 0.000 2.153 112 E HA -0.281 4.069 4.350 -0.000 0.000 0.194 112 E C 1.993 178.496 176.600 -0.161 0.000 0.988 112 E CA 1.481 57.784 56.400 -0.163 0.000 0.811 112 E CB -0.647 29.011 29.700 -0.071 0.000 0.746 112 E HN 0.654 nan 8.360 nan 0.000 0.466 113 Y N 2.036 122.216 120.300 -0.200 0.000 2.145 113 Y HA -0.233 4.316 4.550 -0.000 0.000 0.286 113 Y C 2.144 177.936 175.900 -0.181 0.000 1.145 113 Y CA 1.797 59.786 58.100 -0.186 0.000 1.148 113 Y CB -0.132 38.212 38.460 -0.193 0.000 0.981 113 Y HN -0.057 nan 8.280 nan 0.000 0.507 114 Q N -0.650 118.975 119.800 -0.290 0.000 2.084 114 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 114 Q C 2.429 178.187 176.000 -0.403 0.000 0.978 114 Q CA 2.405 57.996 55.803 -0.353 0.000 0.844 114 Q CB -0.406 28.232 28.738 -0.166 0.000 0.898 114 Q HN 0.630 nan 8.270 nan 0.000 0.426 115 T N -0.804 113.489 114.554 -0.435 0.000 2.857 115 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 115 T C 1.837 176.357 174.700 -0.300 0.000 1.048 115 T CA 0.970 62.847 62.100 -0.372 0.000 1.139 115 T CB -0.070 68.550 68.868 -0.414 0.000 0.874 115 T HN 0.145 nan 8.240 nan 0.000 0.455 116 M N 0.219 119.632 119.600 -0.311 0.000 2.175 116 M HA 0.036 4.516 4.480 -0.000 0.000 0.264 116 M C 2.216 178.323 176.300 -0.321 0.000 1.063 116 M CA 1.284 56.427 55.300 -0.262 0.000 1.119 116 M CB -0.317 32.153 32.600 -0.217 0.000 1.377 116 M HN 0.256 nan 8.290 nan 0.000 0.415 117 I N 0.469 120.760 120.570 -0.464 0.000 2.202 117 I HA -0.188 3.981 4.170 -0.000 0.000 0.242 117 I C 2.698 178.585 176.117 -0.384 0.000 1.091 117 I CA 1.510 62.503 61.300 -0.512 0.000 1.368 117 I CB -1.502 36.123 38.000 -0.625 0.000 1.058 117 I HN 0.202 nan 8.210 nan 0.000 0.410 118 A N 0.241 122.887 122.820 -0.290 0.000 1.972 118 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 118 A C 2.165 179.649 177.584 -0.167 0.000 1.169 118 A CA 1.321 53.245 52.037 -0.190 0.000 0.635 118 A CB -0.344 18.562 19.000 -0.157 0.000 0.810 118 A HN 0.373 nan 8.150 nan 0.000 0.446 119 E N -0.569 119.521 120.200 -0.185 0.000 2.046 119 E HA -0.103 4.247 4.350 -0.000 0.000 0.190 119 E C 1.931 178.445 176.600 -0.145 0.000 0.982 119 E CA 0.715 57.028 56.400 -0.144 0.000 0.800 119 E CB -0.505 29.114 29.700 -0.136 0.000 0.756 119 E HN 0.464 nan 8.360 nan 0.000 0.449 120 L N 0.881 121.988 121.223 -0.192 0.000 2.079 120 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 120 L C 2.090 178.853 176.870 -0.179 0.000 1.081 120 L CA 1.760 56.485 54.840 -0.192 0.000 0.752 120 L CB -0.597 41.300 42.059 -0.269 0.000 0.896 120 L HN 0.046 nan 8.230 nan 0.000 0.433 121 A N -1.678 121.020 122.820 -0.203 0.000 2.132 121 A HA 0.369 4.689 4.320 -0.000 0.000 0.213 121 A C 1.677 179.235 177.584 -0.045 0.000 1.154 121 A CA 0.668 52.644 52.037 -0.102 0.000 0.753 121 A CB -0.597 18.358 19.000 -0.076 0.000 0.826 121 A HN 0.635 nan 8.150 nan 0.000 0.469 122 G N -1.090 107.668 108.800 -0.070 0.000 2.176 122 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.252 122 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.252 122 G C 0.026 174.911 174.900 -0.025 0.000 1.024 122 G CA 0.662 45.732 45.100 -0.051 0.000 0.755 122 G HN 0.450 nan 8.290 nan 0.000 0.507 123 L N -1.722 119.483 121.223 -0.029 0.000 2.299 123 L HA 0.595 4.935 4.340 -0.000 0.000 0.268 123 L C 1.554 178.403 176.870 -0.034 0.000 1.012 123 L CA -0.995 53.840 54.840 -0.008 0.000 0.816 123 L CB 0.983 43.058 42.059 0.027 0.000 1.355 123 L HN 0.114 nan 8.230 nan 0.000 0.457 124 E N 0.271 120.454 120.200 -0.027 0.000 2.122 124 E HA 0.088 4.438 4.350 -0.000 0.000 0.190 124 E C -0.172 176.400 176.600 -0.046 0.000 0.977 124 E CA 0.708 57.084 56.400 -0.041 0.000 0.820 124 E CB 0.469 30.142 29.700 -0.044 0.000 0.770 124 E HN 0.434 nan 8.360 nan 0.000 0.462 125 I N -3.779 116.773 120.570 -0.031 0.000 3.191 125 I HA 0.808 4.978 4.170 -0.000 0.000 0.313 125 I C -1.370 174.737 176.117 -0.017 0.000 1.193 125 I CA -1.496 59.787 61.300 -0.030 0.000 0.968 125 I CB 2.406 40.405 38.000 -0.001 0.000 1.262 125 I HN -0.188 nan 8.210 nan 0.000 0.456 126 A N 1.957 124.765 122.820 -0.020 0.000 2.604 126 A HA 0.662 4.982 4.320 -0.000 0.000 0.295 126 A C -1.250 176.362 177.584 0.046 0.000 1.067 126 A CA -0.718 51.324 52.037 0.009 0.000 0.683 126 A CB 1.503 20.461 19.000 -0.069 0.000 1.281 126 A HN 0.965 nan 8.150 nan 0.000 0.407 127 N N 0.548 119.306 118.700 0.098 0.000 2.418 127 N HA 0.529 5.269 4.740 -0.000 0.000 0.283 127 N C 0.716 176.353 175.510 0.211 0.000 1.267 127 N CA 0.037 53.156 53.050 0.115 0.000 0.975 127 N CB 0.630 39.166 38.487 0.081 0.000 1.167 127 N HN 0.919 nan 8.380 nan 0.000 0.581 128 A N -1.005 121.906 122.820 0.152 0.000 2.261 128 A HA 0.346 4.666 4.320 -0.000 0.000 0.208 128 A C 0.094 177.673 177.584 -0.008 0.000 1.223 128 A CA 0.541 52.649 52.037 0.117 0.000 0.833 128 A CB -1.902 17.092 19.000 -0.011 0.000 0.830 128 A HN 1.667 nan 8.150 nan 0.000 0.483 129 S N -2.635 113.164 115.700 0.164 0.000 3.052 129 S HA -0.018 4.452 4.470 -0.000 0.000 0.831 129 S C -0.649 173.946 174.600 -0.008 0.000 0.941 129 S CA -0.189 58.099 58.200 0.146 0.000 1.352 129 S CB -1.082 62.092 63.200 -0.042 0.000 0.958 129 S HN 0.559 nan 8.310 nan 0.000 0.243 130 M N 1.427 121.023 119.600 -0.006 0.000 2.849 130 M HA 0.470 4.949 4.480 -0.000 0.000 0.299 130 M C 0.853 177.057 176.300 -0.160 0.000 1.223 130 M CA -0.760 54.406 55.300 -0.223 0.000 0.856 130 M CB -0.012 32.468 32.600 -0.201 0.000 1.680 130 M HN 0.863 nan 8.290 nan 0.000 0.506 131 Y N 1.033 121.336 120.300 0.004 0.000 2.114 131 Y HA -0.180 4.370 4.550 -0.000 0.000 0.284 131 Y C 1.182 177.076 175.900 -0.009 0.000 1.143 131 Y CA 1.129 59.236 58.100 0.013 0.000 1.135 131 Y CB -0.451 38.009 38.460 -0.001 0.000 0.980 131 Y HN 0.680 nan 8.280 nan 0.000 0.499 132 D N -3.891 116.516 120.400 0.013 0.000 2.825 132 D HA 0.251 4.891 4.640 -0.000 0.000 0.327 132 D C 1.328 177.410 176.300 -0.363 0.000 1.277 132 D CA -0.086 53.809 54.000 -0.175 0.000 0.950 132 D CB 0.401 41.027 40.800 -0.289 0.000 1.438 132 D HN 0.050 nan 8.370 nan 0.000 0.526 133 G N -0.249 108.227 108.800 -0.540 0.000 2.418 133 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.217 133 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.217 133 G C 1.377 175.662 174.900 -1.024 0.000 1.158 133 G CA 1.791 46.456 45.100 -0.726 0.000 0.771 133 G HN 0.704 nan 8.290 nan 0.000 0.545 134 A N 0.884 122.975 122.820 -1.215 0.000 1.877 134 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 134 A C 2.677 179.921 177.584 -0.566 0.000 1.186 134 A CA 2.907 54.368 52.037 -0.960 0.000 0.620 134 A CB -1.226 17.398 19.000 -0.625 0.000 0.822 134 A HN 0.575 nan 8.150 nan 0.000 0.443 135 T N -2.329 111.970 114.554 -0.424 0.000 2.915 135 T HA 0.128 4.478 4.350 -0.000 0.000 0.269 135 T C 1.861 176.317 174.700 -0.406 0.000 1.071 135 T CA 1.545 63.419 62.100 -0.376 0.000 1.132 135 T CB -0.464 68.361 68.868 -0.072 0.000 0.878 135 T HN 0.550 nan 8.240 nan 0.000 0.479 136 A N 1.473 124.063 122.820 -0.383 0.000 1.930 136 A HA 0.168 4.488 4.320 -0.000 0.000 0.217 136 A C 2.291 179.667 177.584 -0.347 0.000 1.175 136 A CA 1.467 53.300 52.037 -0.340 0.000 0.627 136 A CB -0.853 17.927 19.000 -0.368 0.000 0.815 136 A HN 0.486 nan 8.150 nan 0.000 0.443 137 L N -0.131 120.853 121.223 -0.398 0.000 2.017 137 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 137 L C 2.666 179.353 176.870 -0.306 0.000 1.073 137 L CA 2.257 56.906 54.840 -0.320 0.000 0.745 137 L CB -0.988 40.898 42.059 -0.288 0.000 0.894 137 L HN 0.334 nan 8.230 nan 0.000 0.432 138 A N -0.607 121.962 122.820 -0.418 0.000 1.892 138 A HA -0.222 4.097 4.320 -0.000 0.000 0.218 138 A C 2.149 179.516 177.584 -0.361 0.000 1.188 138 A CA 1.945 53.687 52.037 -0.493 0.000 0.631 138 A CB -0.701 17.606 19.000 -1.154 0.000 0.822 138 A HN 0.580 nan 8.150 nan 0.000 0.447 139 E N -0.585 119.401 120.200 -0.357 0.000 2.077 139 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 139 E C 2.227 178.744 176.600 -0.138 0.000 0.989 139 E CA 1.179 57.466 56.400 -0.189 0.000 0.800 139 E CB -0.865 28.737 29.700 -0.163 0.000 0.746 139 E HN 0.588 nan 8.360 nan 0.000 0.452 140 G N 1.183 109.885 108.800 -0.165 0.000 2.418 140 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 140 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 140 G C 1.861 176.685 174.900 -0.126 0.000 1.158 140 G CA 0.967 45.988 45.100 -0.133 0.000 0.771 140 G HN 0.180 nan 8.290 nan 0.000 0.545 141 V N 0.968 120.799 119.914 -0.138 0.000 2.343 141 V HA -0.119 4.001 4.120 -0.000 0.000 0.247 141 V C 2.905 178.950 176.094 -0.082 0.000 1.051 141 V CA 1.429 63.662 62.300 -0.112 0.000 1.036 141 V CB -0.409 31.350 31.823 -0.107 0.000 0.654 141 V HN 0.349 nan 8.190 nan 0.000 0.451 142 L N -0.729 120.454 121.223 -0.066 0.000 2.131 142 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 142 L C 2.395 179.241 176.870 -0.040 0.000 1.092 142 L CA 1.280 56.103 54.840 -0.029 0.000 0.759 142 L CB -0.474 41.590 42.059 0.008 0.000 0.903 142 L HN 0.352 nan 8.230 nan 0.000 0.435 143 L N -0.168 121.019 121.223 -0.060 0.000 2.017 143 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 143 L C 2.782 179.578 176.870 -0.123 0.000 1.073 143 L CA 1.519 56.317 54.840 -0.070 0.000 0.745 143 L CB -0.268 41.749 42.059 -0.069 0.000 0.894 143 L HN 0.251 nan 8.230 nan 0.000 0.432 144 A N 0.171 122.905 122.820 -0.144 0.000 1.865 144 A HA -0.225 4.094 4.320 -0.000 0.000 0.217 144 A C 2.139 179.652 177.584 -0.118 0.000 1.191 144 A CA 1.836 53.768 52.037 -0.175 0.000 0.623 144 A CB -0.938 17.981 19.000 -0.136 0.000 0.826 144 A HN 0.505 nan 8.150 nan 0.000 0.444 145 L N -1.547 119.633 121.223 -0.072 0.000 2.079 145 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 145 L C 2.847 179.698 176.870 -0.032 0.000 1.081 145 L CA 1.734 56.550 54.840 -0.040 0.000 0.752 145 L CB -0.471 41.575 42.059 -0.022 0.000 0.896 145 L HN 0.378 nan 8.230 nan 0.000 0.433 146 R N -0.123 120.355 120.500 -0.036 0.000 2.073 146 R HA -0.168 4.172 4.340 -0.000 0.000 0.229 146 R C 2.289 178.573 176.300 -0.026 0.000 1.120 146 R CA 1.114 57.206 56.100 -0.015 0.000 0.967 146 R CB 0.004 30.303 30.300 -0.001 0.000 0.862 146 R HN 0.132 nan 8.270 nan 0.000 0.436 147 E N -0.573 119.579 120.200 -0.080 0.000 2.072 147 E HA -0.125 4.224 4.350 -0.000 0.000 0.191 147 E C 1.633 178.198 176.600 -0.060 0.000 0.985 147 E CA 1.956 58.294 56.400 -0.103 0.000 0.801 147 E CB 0.044 29.556 29.700 -0.314 0.000 0.750 147 E HN 0.434 nan 8.360 nan 0.000 0.452 148 T N -4.092 110.425 114.554 -0.062 0.000 3.057 148 T HA 0.223 4.573 4.350 -0.000 0.000 0.254 148 T C 1.568 176.267 174.700 -0.001 0.000 1.094 148 T CA 0.570 62.657 62.100 -0.021 0.000 1.088 148 T CB 0.116 68.972 68.868 -0.019 0.000 0.934 148 T HN 0.291 nan 8.240 nan 0.000 0.497 149 G N 1.734 110.532 108.800 -0.003 0.000 2.143 149 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.248 149 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.248 149 G C 0.126 175.030 174.900 0.008 0.000 0.991 149 G CA 0.148 45.253 45.100 0.008 0.000 0.689 149 G HN 0.706 nan 8.290 nan 0.000 0.522 150 R N -1.268 119.233 120.500 0.002 0.000 2.797 150 R HA 0.803 5.143 4.340 -0.000 0.000 0.251 150 R C 0.899 177.200 176.300 0.002 0.000 1.107 150 R CA -0.909 55.194 56.100 0.004 0.000 1.084 150 R CB 0.477 30.781 30.300 0.006 0.000 1.205 150 R HN 0.098 nan 8.270 nan 0.000 0.515 151 M N 0.106 119.709 119.600 0.005 0.000 2.410 151 M HA 0.232 4.712 4.480 -0.000 0.000 0.376 151 M C 0.069 176.372 176.300 0.004 0.000 1.051 151 M CA -0.071 55.231 55.300 0.004 0.000 0.949 151 M CB 1.297 33.901 32.600 0.007 0.000 1.577 151 M HN 0.731 nan 8.290 nan 0.000 0.560 152 G N 0.964 109.767 108.800 0.005 0.000 2.356 152 G HA2 0.593 4.552 3.960 -0.000 0.000 0.322 152 G HA3 0.593 4.552 3.960 -0.000 0.000 0.322 152 G C -0.931 173.972 174.900 0.004 0.000 1.125 152 G CA -0.287 44.817 45.100 0.006 0.000 0.885 152 G HN 0.044 nan 8.290 nan 0.000 0.467 153 V N 2.866 122.782 119.914 0.003 0.000 2.638 153 V HA 0.430 4.550 4.120 -0.000 0.000 0.306 153 V C -0.300 175.797 176.094 0.005 0.000 1.052 153 V CA -0.632 61.667 62.300 -0.001 0.000 0.885 153 V CB 1.812 33.628 31.823 -0.012 0.000 0.999 153 V HN 0.632 nan 8.190 nan 0.000 0.424 154 L N 4.927 126.158 121.223 0.014 0.000 2.305 154 L HA 0.733 5.073 4.340 -0.000 0.000 0.284 154 L C -0.658 176.219 176.870 0.012 0.000 1.013 154 L CA -0.678 54.177 54.840 0.025 0.000 0.819 154 L CB 1.864 43.956 42.059 0.054 0.000 1.227 154 L HN 0.480 nan 8.230 nan 0.000 0.417 155 V N 3.000 122.914 119.914 0.000 0.000 2.656 155 V HA 0.440 4.560 4.120 -0.000 0.000 0.307 155 V C -0.064 176.021 176.094 -0.014 0.000 1.051 155 V CA -0.326 61.962 62.300 -0.020 0.000 0.893 155 V CB 2.417 34.223 31.823 -0.029 0.000 0.999 155 V HN 0.792 nan 8.190 nan 0.000 0.426 156 S N 3.887 119.567 115.700 -0.033 0.000 2.549 156 S HA 0.145 4.615 4.470 -0.000 0.000 0.279 156 S C 0.922 175.527 174.600 0.008 0.000 1.321 156 S CA 0.512 58.700 58.200 -0.019 0.000 1.054 156 S CB 1.201 64.353 63.200 -0.080 0.000 0.899 156 S HN 0.969 nan 8.310 nan 0.000 0.497 157 Q N 3.358 123.178 119.800 0.034 0.000 2.437 157 Q HA -0.041 4.299 4.340 -0.000 0.000 0.210 157 Q C 1.640 177.757 176.000 0.195 0.000 0.972 157 Q CA 1.305 57.133 55.803 0.041 0.000 0.903 157 Q CB -0.680 28.049 28.738 -0.016 0.000 0.967 157 Q HN 0.988 nan 8.270 nan 0.000 0.486 158 G N 0.112 109.014 108.800 0.171 0.000 2.598 158 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.215 158 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.215 158 G C 0.457 175.433 174.900 0.128 0.000 1.131 158 G CA 0.004 45.221 45.100 0.195 0.000 0.785 158 G HN 0.171 nan 8.290 nan 0.000 0.539 159 V N 1.660 121.607 119.914 0.055 0.000 2.614 159 V HA 0.066 4.186 4.120 -0.000 0.000 0.291 159 V C 0.803 176.850 176.094 -0.079 0.000 1.049 159 V CA -1.143 61.157 62.300 0.001 0.000 1.038 159 V CB 1.009 32.831 31.823 -0.002 0.000 0.980 159 V HN 0.416 nan 8.190 nan 0.000 0.481 160 H N 8.853 127.726 119.070 -0.327 0.000 3.209 160 H HA -0.055 4.501 4.556 -0.000 0.000 0.297 160 H C -1.337 173.695 175.328 -0.494 0.000 0.936 160 H CA -0.677 54.986 56.048 -0.641 0.000 1.392 160 H CB 1.173 30.246 29.762 -1.149 0.000 1.349 160 H HN 0.436 nan 8.280 nan 0.000 0.568 161 P HA -0.180 nan 4.420 nan 0.000 0.216 161 P C 0.968 178.253 177.300 -0.025 0.000 1.150 161 P CA 1.454 64.385 63.100 -0.281 0.000 0.843 161 P CB 0.318 31.774 31.700 -0.406 0.000 0.787 162 E N -1.519 118.799 120.200 0.197 0.000 2.107 162 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 162 E C 2.177 178.897 176.600 0.200 0.000 0.982 162 E CA 0.769 57.271 56.400 0.171 0.000 0.809 162 E CB -0.397 29.396 29.700 0.155 0.000 0.756 162 E HN 0.259 nan 8.360 nan 0.000 0.459 163 Y N 0.967 121.241 120.300 -0.044 0.000 2.181 163 Y HA -0.122 4.428 4.550 -0.000 0.000 0.288 163 Y C 2.206 178.056 175.900 -0.083 0.000 1.146 163 Y CA 0.888 58.922 58.100 -0.109 0.000 1.164 163 Y CB -0.414 37.983 38.460 -0.106 0.000 0.982 163 Y HN -0.050 nan 8.280 nan 0.000 0.515 164 R N -0.484 120.082 120.500 0.110 0.000 2.148 164 R HA -0.071 4.269 4.340 -0.000 0.000 0.227 164 R C 2.389 178.698 176.300 0.016 0.000 1.103 164 R CA 0.906 57.023 56.100 0.028 0.000 0.983 164 R CB -0.382 29.910 30.300 -0.012 0.000 0.874 164 R HN 0.285 nan 8.270 nan 0.000 0.451 165 A N 0.551 123.386 122.820 0.025 0.000 1.897 165 A HA -0.063 4.256 4.320 -0.000 0.000 0.215 165 A C 2.277 179.884 177.584 0.038 0.000 1.181 165 A CA 0.968 53.017 52.037 0.019 0.000 0.620 165 A CB -0.332 18.677 19.000 0.015 0.000 0.821 165 A HN 0.089 nan 8.150 nan 0.000 0.443 166 V N -0.094 119.843 119.914 0.039 0.000 2.427 166 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 166 V C 2.485 178.641 176.094 0.104 0.000 1.051 166 V CA 1.846 64.188 62.300 0.069 0.000 1.048 166 V CB -0.734 31.075 31.823 -0.023 0.000 0.666 166 V HN 0.587 nan 8.190 nan 0.000 0.456 167 L N 0.597 121.825 121.223 0.009 0.000 2.017 167 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 167 L C 2.582 179.490 176.870 0.063 0.000 1.073 167 L CA 2.105 56.942 54.840 -0.006 0.000 0.745 167 L CB -0.818 41.217 42.059 -0.040 0.000 0.894 167 L HN 0.220 nan 8.230 nan 0.000 0.432 168 R N -0.366 120.161 120.500 0.045 0.000 2.091 168 R HA -0.188 4.152 4.340 -0.000 0.000 0.238 168 R C 2.065 178.399 176.300 0.057 0.000 1.136 168 R CA 1.549 57.672 56.100 0.037 0.000 0.959 168 R CB -0.435 29.874 30.300 0.015 0.000 0.856 168 R HN 0.518 nan 8.270 nan 0.000 0.437 169 A N -0.048 122.821 122.820 0.082 0.000 1.933 169 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 169 A C 1.859 179.474 177.584 0.052 0.000 1.175 169 A CA 1.122 53.193 52.037 0.056 0.000 0.628 169 A CB -0.651 18.381 19.000 0.053 0.000 0.814 169 A HN 0.465 nan 8.150 nan 0.000 0.444 170 Y N -0.925 119.360 120.300 -0.025 0.000 2.220 170 Y HA -0.064 4.486 4.550 -0.000 0.000 0.291 170 Y C 2.177 178.065 175.900 -0.020 0.000 1.129 170 Y CA 1.068 59.155 58.100 -0.022 0.000 1.161 170 Y CB -0.333 38.110 38.460 -0.029 0.000 0.997 170 Y HN 0.193 nan 8.280 nan 0.000 0.522 171 L N 0.221 121.529 121.223 0.142 0.000 2.083 171 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 171 L C 2.323 179.214 176.870 0.035 0.000 1.083 171 L CA 1.683 56.564 54.840 0.068 0.000 0.752 171 L CB -1.010 41.074 42.059 0.042 0.000 0.899 171 L HN 0.270 nan 8.230 nan 0.000 0.433 172 E N -0.940 119.275 120.200 0.026 0.000 2.150 172 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 172 E C 2.179 178.773 176.600 -0.010 0.000 0.985 172 E CA 0.898 57.300 56.400 0.004 0.000 0.814 172 E CB 0.094 29.793 29.700 -0.002 0.000 0.752 172 E HN 0.475 nan 8.360 nan 0.000 0.466 173 A N 0.514 123.320 122.820 -0.023 0.000 1.898 173 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 173 A C 2.240 179.810 177.584 -0.024 0.000 1.181 173 A CA 1.538 53.546 52.037 -0.049 0.000 0.620 173 A CB -0.445 18.485 19.000 -0.116 0.000 0.819 173 A HN 0.293 nan 8.150 nan 0.000 0.442 174 V N -3.823 116.091 119.914 -0.001 0.000 3.649 174 V HA 0.517 4.637 4.120 -0.000 0.000 0.275 174 V C 1.206 177.305 176.094 0.008 0.000 1.281 174 V CA 0.560 62.866 62.300 0.009 0.000 1.143 174 V CB -0.857 30.983 31.823 0.028 0.000 0.892 174 V HN 1.565 nan 8.190 nan 0.000 0.441 175 G N -0.042 108.761 108.800 0.006 0.000 2.204 175 G HA2 0.071 4.031 3.960 -0.000 0.000 0.244 175 G HA3 0.071 4.031 3.960 -0.000 0.000 0.244 175 G C 0.131 175.036 174.900 0.008 0.000 1.062 175 G CA 0.299 45.401 45.100 0.005 0.000 0.798 175 G HN 1.567 nan 8.290 nan 0.000 0.496 176 A N -0.598 122.229 122.820 0.011 0.000 2.288 176 A HA 0.894 5.213 4.320 -0.000 0.000 0.328 176 A C 0.309 177.898 177.584 0.008 0.000 1.123 176 A CA -0.562 51.481 52.037 0.010 0.000 0.861 176 A CB 1.088 20.096 19.000 0.013 0.000 1.272 176 A HN 0.362 nan 8.150 nan 0.000 0.490 177 K N -0.192 120.211 120.400 0.006 0.000 2.164 177 K HA 0.585 4.905 4.320 -0.000 0.000 0.258 177 K C -1.632 174.970 176.600 0.003 0.000 0.951 177 K CA -0.523 55.766 56.287 0.004 0.000 0.844 177 K CB 1.878 34.380 32.500 0.004 0.000 1.099 177 K HN 0.432 nan 8.250 nan 0.000 0.435 178 L N 3.915 125.139 121.223 0.001 0.000 2.376 178 L HA 0.443 4.783 4.340 -0.000 0.000 0.275 178 L C -1.632 175.237 176.870 -0.003 0.000 0.987 178 L CA -0.449 54.390 54.840 -0.002 0.000 0.828 178 L CB 1.178 43.235 42.059 -0.003 0.000 1.249 178 L HN 0.559 nan 8.230 nan 0.000 0.409 179 L N 4.342 125.565 121.223 -0.000 0.000 2.322 179 L HA 0.580 4.920 4.340 -0.000 0.000 0.281 179 L C -0.396 176.474 176.870 -0.001 0.000 1.014 179 L CA -0.445 54.395 54.840 0.001 0.000 0.815 179 L CB 2.177 44.241 42.059 0.008 0.000 1.247 179 L HN 0.601 nan 8.230 nan 0.000 0.421 180 T N 4.727 119.276 114.554 -0.008 0.000 2.767 180 T HA 0.440 4.790 4.350 -0.000 0.000 0.284 180 T C -0.009 174.691 174.700 -0.000 0.000 0.973 180 T CA -0.405 61.687 62.100 -0.013 0.000 0.996 180 T CB 0.852 69.699 68.868 -0.036 0.000 0.927 180 T HN 0.301 nan 8.240 nan 0.000 0.456 181 L N 6.726 127.958 121.223 0.015 0.000 2.295 181 L HA 0.311 4.650 4.340 -0.000 0.000 0.288 181 L C -1.761 175.130 176.870 0.034 0.000 1.079 181 L CA -2.055 52.808 54.840 0.037 0.000 0.830 181 L CB 0.408 42.509 42.059 0.069 0.000 1.200 181 L HN 0.328 nan 8.230 nan 0.000 0.438 182 P HA 0.017 nan 4.420 nan 0.000 0.269 182 P C -0.614 176.729 177.300 0.072 0.000 1.209 182 P CA -0.521 62.595 63.100 0.026 0.000 0.776 182 P CB 1.274 32.983 31.700 0.014 0.000 0.876 183 L N 2.868 124.155 121.223 0.106 0.000 2.326 183 L HA 0.237 4.577 4.340 -0.000 0.000 0.278 183 L C 0.827 177.785 176.870 0.146 0.000 1.092 183 L CA 0.133 55.067 54.840 0.157 0.000 0.810 183 L CB 0.193 42.407 42.059 0.259 0.000 1.153 183 L HN 0.487 nan 8.230 nan 0.000 0.439 184 E N 2.277 122.547 120.200 0.116 0.000 2.224 184 E HA 0.600 4.949 4.350 -0.000 0.000 0.265 184 E C 0.406 177.036 176.600 0.049 0.000 0.878 184 E CA -0.517 55.934 56.400 0.086 0.000 0.759 184 E CB 1.314 31.051 29.700 0.062 0.000 1.164 184 E HN 0.746 nan 8.360 nan 0.000 0.414 185 G N 2.306 111.106 108.800 -0.000 0.000 2.179 185 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.257 185 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.257 185 G C 1.002 175.835 174.900 -0.112 0.000 1.010 185 G CA 0.391 45.437 45.100 -0.091 0.000 0.736 185 G HN 1.833 nan 8.290 nan 0.000 0.513 186 G N -1.881 106.897 108.800 -0.035 0.000 2.179 186 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.260 186 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.260 186 G C 0.377 175.336 174.900 0.098 0.000 0.977 186 G CA 1.227 46.353 45.100 0.043 0.000 0.641 186 G HN 1.120 nan 8.290 nan 0.000 0.533 187 R N -0.773 119.783 120.500 0.093 0.000 2.912 187 R HA 0.695 5.035 4.340 -0.000 0.000 0.262 187 R C -0.681 175.700 176.300 0.135 0.000 1.057 187 R CA -0.137 56.030 56.100 0.112 0.000 0.981 187 R CB 1.390 31.750 30.300 0.100 0.000 1.201 187 R HN 0.203 nan 8.270 nan 0.000 0.484 188 T N 2.456 117.109 114.554 0.165 0.000 2.756 188 T HA 0.371 4.721 4.350 -0.000 0.000 0.290 188 T C -2.253 172.648 174.700 0.336 0.000 0.985 188 T CA -2.034 60.189 62.100 0.205 0.000 0.955 188 T CB 0.936 69.876 68.868 0.119 0.000 0.930 188 T HN 0.284 nan 8.240 nan 0.000 0.451 189 P HA 0.170 nan 4.420 nan 0.000 0.271 189 P C -0.150 177.222 177.300 0.121 0.000 1.218 189 P CA -0.740 62.438 63.100 0.130 0.000 0.780 189 P CB 0.591 32.334 31.700 0.073 0.000 0.901 190 L N 5.422 126.574 121.223 -0.118 0.000 2.534 190 L HA 0.189 4.528 4.340 -0.000 0.000 0.271 190 L C -1.784 175.037 176.870 -0.081 0.000 1.178 190 L CA -0.856 53.796 54.840 -0.314 0.000 0.907 190 L CB -0.635 41.177 42.059 -0.412 0.000 1.164 190 L HN 0.359 nan 8.230 nan 0.000 0.482 191 P HA 0.268 nan 4.420 nan 0.000 0.283 191 P C -1.436 175.865 177.300 0.002 0.000 1.278 191 P CA -0.688 62.437 63.100 0.042 0.000 0.834 191 P CB 0.938 32.705 31.700 0.112 0.000 1.150 192 E N 0.151 120.357 120.200 0.010 0.000 2.055 192 E HA 0.325 4.675 4.350 -0.000 0.000 0.274 192 E C -0.644 175.965 176.600 0.015 0.000 0.949 192 E CA -0.828 55.572 56.400 0.001 0.000 0.775 192 E CB 1.372 31.071 29.700 -0.001 0.000 1.097 192 E HN 0.138 nan 8.360 nan 0.000 0.404 193 V N 3.020 122.943 119.914 0.016 0.000 2.432 193 V HA 0.287 4.407 4.120 -0.000 0.000 0.271 193 V C 0.907 177.014 176.094 0.021 0.000 1.046 193 V CA -0.511 61.805 62.300 0.026 0.000 0.945 193 V CB 1.163 33.006 31.823 0.033 0.000 0.992 193 V HN 0.735 nan 8.190 nan 0.000 0.471 194 G N 2.827 111.640 108.800 0.022 0.000 2.562 194 G HA2 0.324 4.284 3.960 -0.000 0.000 0.275 194 G HA3 0.324 4.284 3.960 -0.000 0.000 0.275 194 G C 0.431 175.344 174.900 0.022 0.000 1.196 194 G CA -0.416 44.696 45.100 0.019 0.000 0.908 194 G HN 0.767 nan 8.290 nan 0.000 0.524 195 E N -0.029 120.183 120.200 0.020 0.000 2.511 195 E HA -0.093 4.257 4.350 -0.000 0.000 0.196 195 E C 1.780 178.392 176.600 0.021 0.000 1.066 195 E CA 0.434 56.848 56.400 0.023 0.000 0.871 195 E CB 0.314 30.027 29.700 0.021 0.000 0.863 195 E HN 0.730 nan 8.360 nan 0.000 0.520 196 E N 0.617 120.828 120.200 0.018 0.000 2.442 196 E HA -0.023 4.327 4.350 -0.000 0.000 0.195 196 E C 0.573 177.183 176.600 0.016 0.000 1.030 196 E CA 0.202 56.611 56.400 0.015 0.000 0.869 196 E CB 0.124 29.832 29.700 0.013 0.000 0.857 196 E HN -0.056 nan 8.360 nan 0.000 0.505 197 V N 1.948 121.874 119.914 0.020 0.000 2.432 197 V HA 0.296 4.416 4.120 -0.000 0.000 0.271 197 V C 1.289 177.396 176.094 0.022 0.000 1.046 197 V CA 0.430 62.743 62.300 0.021 0.000 0.945 197 V CB 1.294 33.135 31.823 0.030 0.000 0.992 197 V HN 0.348 nan 8.190 nan 0.000 0.471 198 G N 3.412 112.219 108.800 0.011 0.000 2.833 198 G HA2 0.518 4.478 3.960 -0.000 0.000 0.210 198 G HA3 0.518 4.478 3.960 -0.000 0.000 0.210 198 G C 0.352 175.250 174.900 -0.002 0.000 1.139 198 G CA 0.722 45.824 45.100 0.003 0.000 0.771 198 G HN 0.961 nan 8.290 nan 0.000 0.535 199 A N -0.265 122.556 122.820 0.002 0.000 2.488 199 A HA 0.648 4.968 4.320 -0.000 0.000 0.295 199 A C -1.585 176.009 177.584 0.015 0.000 1.045 199 A CA -0.339 51.695 52.037 -0.005 0.000 0.703 199 A CB 1.900 20.871 19.000 -0.047 0.000 1.271 199 A HN 0.279 nan 8.150 nan 0.000 0.400 200 V N 2.330 122.276 119.914 0.053 0.000 2.495 200 V HA 0.599 4.719 4.120 -0.000 0.000 0.298 200 V C -0.454 175.632 176.094 -0.014 0.000 1.031 200 V CA -0.512 61.852 62.300 0.106 0.000 0.871 200 V CB 1.626 33.610 31.823 0.268 0.000 0.988 200 V HN 0.719 nan 8.190 nan 0.000 0.432 201 V N 5.497 125.371 119.914 -0.065 0.000 2.487 201 V HA 0.683 4.803 4.120 -0.000 0.000 0.298 201 V C -0.460 175.532 176.094 -0.170 0.000 1.028 201 V CA -0.518 61.661 62.300 -0.201 0.000 0.860 201 V CB 1.898 33.631 31.823 -0.149 0.000 0.991 201 V HN 0.611 nan 8.190 nan 0.000 0.427 202 V N 3.948 123.712 119.914 -0.250 0.000 2.841 202 V HA 0.519 4.639 4.120 -0.000 0.000 0.310 202 V C -0.602 175.407 176.094 -0.142 0.000 1.090 202 V CA -0.680 61.496 62.300 -0.207 0.000 0.930 202 V CB 2.054 33.680 31.823 -0.328 0.000 1.014 202 V HN 0.918 nan 8.190 nan 0.000 0.425 203 Q N 2.708 122.456 119.800 -0.088 0.000 2.282 203 Q HA 0.601 4.941 4.340 -0.000 0.000 0.260 203 Q C -1.125 174.872 176.000 -0.005 0.000 0.964 203 Q CA -0.509 55.276 55.803 -0.030 0.000 0.880 203 Q CB 1.665 30.402 28.738 -0.001 0.000 1.286 203 Q HN 0.798 nan 8.270 nan 0.000 0.445 204 N N 4.192 122.903 118.700 0.018 0.000 2.519 204 N HA 0.429 5.169 4.740 -0.000 0.000 0.291 204 N C -2.919 172.585 175.510 -0.010 0.000 1.107 204 N CA -1.436 51.629 53.050 0.025 0.000 0.904 204 N CB 1.963 40.483 38.487 0.056 0.000 1.500 204 N HN 0.309 nan 8.380 nan 0.000 0.510 205 P HA 0.145 nan 4.420 nan 0.000 0.269 205 P C -0.223 177.108 177.300 0.052 0.000 1.215 205 P CA -0.272 62.838 63.100 0.016 0.000 0.780 205 P CB 0.512 32.239 31.700 0.046 0.000 0.898 206 N N 0.572 119.314 118.700 0.070 0.000 2.267 206 N HA -0.078 4.662 4.740 -0.000 0.000 0.226 206 N C 0.825 176.371 175.510 0.061 0.000 1.314 206 N CA 0.009 53.101 53.050 0.070 0.000 0.887 206 N CB -0.189 38.344 38.487 0.077 0.000 1.120 206 N HN 0.357 nan 8.380 nan 0.000 0.440 207 F N 0.742 120.631 119.950 -0.102 0.000 2.293 207 F HA 0.066 4.593 4.527 -0.000 0.000 0.300 207 F C 1.547 177.214 175.800 -0.221 0.000 1.086 207 F CA 1.153 59.029 58.000 -0.207 0.000 1.375 207 F CB 0.005 38.811 39.000 -0.323 0.000 1.045 207 F HN 0.421 nan 8.300 nan 0.000 0.516 208 L N -0.183 120.844 121.223 -0.326 0.000 2.612 208 L HA 0.279 4.619 4.340 -0.000 0.000 0.230 208 L C 1.687 178.466 176.870 -0.152 0.000 1.140 208 L CA 0.599 55.227 54.840 -0.352 0.000 0.896 208 L CB -0.811 41.169 42.059 -0.132 0.000 1.065 208 L HN 0.407 nan 8.230 nan 0.000 0.447 209 G N 0.135 108.898 108.800 -0.063 0.000 2.157 209 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.239 209 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.239 209 G C 0.345 175.377 174.900 0.220 0.000 0.982 209 G CA -0.019 45.141 45.100 0.100 0.000 0.650 209 G HN 0.479 nan 8.290 nan 0.000 0.527 210 A N 0.360 123.273 122.820 0.156 0.000 2.363 210 A HA 0.739 5.059 4.320 -0.000 0.000 0.270 210 A C 0.645 178.325 177.584 0.160 0.000 1.121 210 A CA -0.261 51.887 52.037 0.185 0.000 0.800 210 A CB 0.436 19.516 19.000 0.132 0.000 1.052 210 A HN 0.787 nan 8.150 nan 0.000 0.493 211 L N 2.093 123.420 121.223 0.172 0.000 2.371 211 L HA 0.361 4.701 4.340 -0.000 0.000 0.272 211 L C 0.256 177.187 176.870 0.102 0.000 1.124 211 L CA 0.054 54.972 54.840 0.131 0.000 0.816 211 L CB 0.672 42.821 42.059 0.151 0.000 1.129 211 L HN 0.704 nan 8.230 nan 0.000 0.448 212 E N 1.843 122.090 120.200 0.078 0.000 2.246 212 E HA 0.128 4.478 4.350 -0.000 0.000 0.266 212 E C -1.404 175.209 176.600 0.021 0.000 0.880 212 E CA -0.771 55.673 56.400 0.072 0.000 0.762 212 E CB 2.549 32.282 29.700 0.056 0.000 1.180 212 E HN 0.421 nan 8.360 nan 0.000 0.416 213 D N 3.809 124.223 120.400 0.023 0.000 2.346 213 D HA 0.037 4.676 4.640 -0.000 0.000 0.260 213 D C 0.763 176.959 176.300 -0.173 0.000 1.252 213 D CA 0.124 54.057 54.000 -0.112 0.000 0.895 213 D CB 0.726 41.505 40.800 -0.035 0.000 1.097 213 D HN 0.479 nan 8.370 nan 0.000 0.489 214 L N 3.440 124.298 121.223 -0.610 0.000 2.418 214 L HA 0.105 4.445 4.340 -0.000 0.000 0.218 214 L C 2.508 179.125 176.870 -0.421 0.000 1.125 214 L CA 0.404 55.003 54.840 -0.402 0.000 0.835 214 L CB -0.275 41.528 42.059 -0.428 0.000 0.953 214 L HN 0.468 nan 8.230 nan 0.000 0.454 215 G N 2.201 110.714 108.800 -0.478 0.000 2.681 215 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.220 215 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.220 215 G C -0.349 174.432 174.900 -0.199 0.000 1.210 215 G CA 1.242 46.246 45.100 -0.161 0.000 0.783 215 G HN 0.310 nan 8.290 nan 0.000 0.609 216 P HA -0.100 nan 4.420 nan 0.000 0.218 216 P C 1.476 178.526 177.300 -0.416 0.000 1.148 216 P CA 1.023 63.940 63.100 -0.304 0.000 0.822 216 P CB -0.228 31.262 31.700 -0.351 0.000 0.784 217 F N 1.021 120.735 119.950 -0.393 0.000 2.146 217 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 217 F C 2.748 178.101 175.800 -0.744 0.000 1.096 217 F CA 1.419 59.118 58.000 -0.500 0.000 1.275 217 F CB -1.431 37.238 39.000 -0.551 0.000 1.008 217 F HN -0.061 nan 8.300 nan 0.000 0.480 218 A N -0.178 122.161 122.820 -0.801 0.000 1.902 218 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 218 A C 2.126 179.377 177.584 -0.554 0.000 1.181 218 A CA 1.741 53.309 52.037 -0.781 0.000 0.623 218 A CB -0.716 18.034 19.000 -0.416 0.000 0.818 218 A HN 0.425 nan 8.150 nan 0.000 0.443 219 E N -0.249 119.797 120.200 -0.257 0.000 2.051 219 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 219 E C 2.340 178.873 176.600 -0.111 0.000 0.991 219 E CA 0.943 57.288 56.400 -0.092 0.000 0.799 219 E CB -0.311 29.348 29.700 -0.069 0.000 0.748 219 E HN 0.607 nan 8.360 nan 0.000 0.449 220 A N 1.408 124.131 122.820 -0.161 0.000 1.940 220 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 220 A C 2.329 179.874 177.584 -0.066 0.000 1.176 220 A CA 1.827 53.800 52.037 -0.106 0.000 0.631 220 A CB -0.529 18.396 19.000 -0.125 0.000 0.814 220 A HN 0.303 nan 8.150 nan 0.000 0.446 221 A N -1.256 121.490 122.820 -0.123 0.000 1.874 221 A HA -0.065 4.255 4.320 -0.000 0.000 0.214 221 A C 2.014 179.591 177.584 -0.012 0.000 1.189 221 A CA 1.359 53.356 52.037 -0.066 0.000 0.615 221 A CB -0.783 18.180 19.000 -0.062 0.000 0.830 221 A HN 0.605 nan 8.150 nan 0.000 0.443 222 H N -0.226 118.877 119.070 0.056 0.000 2.389 222 H HA -0.069 4.487 4.556 -0.000 0.000 0.299 222 H C 2.399 177.749 175.328 0.037 0.000 1.081 222 H CA 1.054 57.136 56.048 0.056 0.000 1.345 222 H CB -0.957 28.837 29.762 0.054 0.000 1.393 222 H HN 0.478 nan 8.280 nan 0.000 0.520 223 G N 0.349 109.224 108.800 0.124 0.000 2.432 223 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.219 223 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.219 223 G C 1.780 176.714 174.900 0.057 0.000 1.135 223 G CA 0.946 46.089 45.100 0.071 0.000 0.767 223 G HN 0.525 nan 8.290 nan 0.000 0.550 224 A N -0.576 122.276 122.820 0.053 0.000 2.218 224 A HA 0.482 4.802 4.320 -0.000 0.000 0.209 224 A C 1.941 179.559 177.584 0.057 0.000 1.168 224 A CA 1.249 53.312 52.037 0.045 0.000 0.804 224 A CB -0.302 18.719 19.000 0.035 0.000 0.834 224 A HN 1.593 nan 8.150 nan 0.000 0.482 225 G N -2.040 106.810 108.800 0.084 0.000 2.132 225 G HA2 0.136 4.096 3.960 -0.000 0.000 0.234 225 G HA3 0.136 4.096 3.960 -0.000 0.000 0.234 225 G C 0.315 175.271 174.900 0.092 0.000 0.989 225 G CA 0.344 45.498 45.100 0.089 0.000 0.676 225 G HN 1.513 nan 8.290 nan 0.000 0.522 226 A N -0.562 122.319 122.820 0.101 0.000 2.281 226 A HA 0.907 5.227 4.320 -0.000 0.000 0.329 226 A C 0.319 177.986 177.584 0.138 0.000 1.122 226 A CA -0.610 51.479 52.037 0.086 0.000 0.850 226 A CB 0.966 20.004 19.000 0.064 0.000 1.207 226 A HN 0.719 nan 8.150 nan 0.000 0.495 227 L N 0.292 121.571 121.223 0.094 0.000 2.344 227 L HA 0.473 4.813 4.340 -0.000 0.000 0.272 227 L C -0.869 176.091 176.870 0.149 0.000 1.035 227 L CA -0.403 54.514 54.840 0.129 0.000 0.807 227 L CB 1.391 43.435 42.059 -0.024 0.000 1.237 227 L HN 0.734 nan 8.230 nan 0.000 0.442 228 F N 2.249 122.218 119.950 0.031 0.000 2.427 228 F HA 0.512 5.039 4.527 -0.000 0.000 0.346 228 F C -0.482 175.336 175.800 0.029 0.000 1.120 228 F CA -0.687 57.310 58.000 -0.005 0.000 1.033 228 F CB 1.390 40.363 39.000 -0.046 0.000 1.126 228 F HN -0.038 nan 8.300 nan 0.000 0.462 229 V N 6.309 125.773 119.914 -0.750 0.000 2.357 229 V HA 0.706 4.826 4.120 -0.000 0.000 0.284 229 V C -0.052 175.529 176.094 -0.855 0.000 1.018 229 V CA -0.726 61.225 62.300 -0.582 0.000 0.841 229 V CB 0.948 32.570 31.823 -0.335 0.000 0.991 229 V HN 0.969 nan 8.190 nan 0.000 0.437 230 A N 4.994 127.493 122.820 -0.535 0.000 2.305 230 A HA 0.817 5.137 4.320 -0.000 0.000 0.322 230 A C -0.581 176.913 177.584 -0.150 0.000 1.187 230 A CA -0.498 51.343 52.037 -0.326 0.000 0.825 230 A CB 1.282 20.274 19.000 -0.013 0.000 1.164 230 A HN 0.671 nan 8.150 nan 0.000 0.498 231 V N 1.880 121.728 119.914 -0.110 0.000 2.334 231 V HA 0.676 4.796 4.120 -0.000 0.000 0.281 231 V C 0.314 176.418 176.094 0.016 0.000 1.016 231 V CA -0.016 62.247 62.300 -0.062 0.000 0.832 231 V CB 0.754 32.561 31.823 -0.027 0.000 0.999 231 V HN 1.203 nan 8.190 nan 0.000 0.439 232 A N 3.285 126.146 122.820 0.068 0.000 2.422 232 A HA 0.591 4.911 4.320 -0.000 0.000 0.302 232 A C -0.591 177.101 177.584 0.179 0.000 1.041 232 A CA -0.630 51.481 52.037 0.124 0.000 0.708 232 A CB 1.339 20.436 19.000 0.161 0.000 1.257 232 A HN 0.759 nan 8.150 nan 0.000 0.414 233 D N 4.226 124.695 120.400 0.115 0.000 2.401 233 D HA 0.081 4.721 4.640 -0.000 0.000 0.254 233 D C -1.171 175.221 176.300 0.154 0.000 1.192 233 D CA -1.173 52.909 54.000 0.136 0.000 0.885 233 D CB 1.265 42.131 40.800 0.109 0.000 1.147 233 D HN 0.244 nan 8.370 nan 0.000 0.478 234 P HA -0.221 nan 4.420 nan 0.000 0.216 234 P C 1.734 179.078 177.300 0.074 0.000 1.153 234 P CA 0.619 63.789 63.100 0.116 0.000 0.858 234 P CB 0.256 32.032 31.700 0.126 0.000 0.789 235 L N 1.015 122.295 121.223 0.095 0.000 2.083 235 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 235 L C 2.587 179.557 176.870 0.167 0.000 1.083 235 L CA 2.530 57.442 54.840 0.119 0.000 0.752 235 L CB -1.577 40.532 42.059 0.084 0.000 0.899 235 L HN 0.045 nan 8.230 nan 0.000 0.433 236 S N -1.256 114.525 115.700 0.134 0.000 2.423 236 S HA -0.106 4.364 4.470 -0.000 0.000 0.231 236 S C 1.800 176.388 174.600 -0.021 0.000 1.014 236 S CA 0.717 58.916 58.200 -0.002 0.000 0.965 236 S CB -0.704 62.179 63.200 -0.529 0.000 0.785 236 S HN 0.342 nan 8.310 nan 0.000 0.495 237 L N 1.999 123.223 121.223 0.001 0.000 2.633 237 L HA 0.172 4.512 4.340 -0.000 0.000 0.235 237 L C 2.369 179.245 176.870 0.009 0.000 1.163 237 L CA 1.088 55.922 54.840 -0.011 0.000 0.859 237 L CB -1.987 40.051 42.059 -0.035 0.000 0.973 237 L HN 0.566 nan 8.230 nan 0.000 0.451 238 G N -1.603 107.232 108.800 0.057 0.000 2.511 238 G HA2 -0.019 3.940 3.960 -0.000 0.000 0.217 238 G HA3 -0.019 3.940 3.960 -0.000 0.000 0.217 238 G C 1.465 176.408 174.900 0.072 0.000 1.133 238 G CA 0.905 46.041 45.100 0.061 0.000 0.792 238 G HN 0.304 nan 8.290 nan 0.000 0.539 239 V N -0.476 119.505 119.914 0.111 0.000 3.392 239 V HA 0.465 4.585 4.120 -0.000 0.000 0.285 239 V C 0.113 176.267 176.094 0.099 0.000 1.582 239 V CA -0.180 62.190 62.300 0.117 0.000 1.034 239 V CB 0.172 32.103 31.823 0.181 0.000 0.846 239 V HN 0.099 nan 8.190 nan 0.000 0.431 240 L N 1.650 122.907 121.223 0.057 0.000 2.325 240 L HA 0.477 4.817 4.340 -0.000 0.000 0.279 240 L C 0.284 177.139 176.870 -0.026 0.000 1.054 240 L CA -0.462 54.388 54.840 0.018 0.000 0.804 240 L CB 1.377 43.396 42.059 -0.067 0.000 1.200 240 L HN 0.052 nan 8.230 nan 0.000 0.436 241 K N 4.655 125.027 120.400 -0.046 0.000 2.473 241 K HA 0.030 4.349 4.320 -0.000 0.000 0.277 241 K C -2.148 174.293 176.600 -0.264 0.000 1.052 241 K CA -0.934 55.230 56.287 -0.205 0.000 1.114 241 K CB 0.387 32.702 32.500 -0.308 0.000 0.869 241 K HN 0.243 nan 8.250 nan 0.000 0.481 242 P HA 0.057 nan 4.420 nan 0.000 0.274 242 P C -2.275 174.950 177.300 -0.125 0.000 1.231 242 P CA -1.444 61.582 63.100 -0.123 0.000 0.790 242 P CB 0.853 32.499 31.700 -0.090 0.000 0.951 243 P HA -0.188 nan 4.420 nan 0.000 0.217 243 P C 1.660 179.087 177.300 0.212 0.000 1.148 243 P CA 1.881 65.160 63.100 0.299 0.000 0.828 243 P CB -0.658 31.208 31.700 0.277 0.000 0.783 244 G N 0.602 109.458 108.800 0.093 0.000 2.422 244 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 244 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 244 G C 1.804 176.727 174.900 0.038 0.000 1.146 244 G CA 0.961 46.106 45.100 0.074 0.000 0.769 244 G HN 0.384 nan 8.290 nan 0.000 0.547 245 A N -0.256 122.522 122.820 -0.069 0.000 2.067 245 A HA 0.124 4.444 4.320 -0.000 0.000 0.219 245 A C 2.053 179.605 177.584 -0.054 0.000 1.158 245 A CA 1.027 52.991 52.037 -0.122 0.000 0.661 245 A CB -0.403 18.444 19.000 -0.256 0.000 0.801 245 A HN 0.398 nan 8.150 nan 0.000 0.452 246 Y N -0.990 119.363 120.300 0.089 0.000 2.544 246 Y HA 0.316 4.866 4.550 -0.000 0.000 0.286 246 Y C 1.908 177.874 175.900 0.110 0.000 1.141 246 Y CA 0.048 58.202 58.100 0.089 0.000 1.299 246 Y CB -0.206 38.321 38.460 0.112 0.000 1.030 246 Y HN 0.438 nan 8.280 nan 0.000 0.543 247 G N -0.373 108.594 108.800 0.278 0.000 2.131 247 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.223 247 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.223 247 G C 0.291 175.425 174.900 0.390 0.000 0.990 247 G CA -0.188 45.075 45.100 0.270 0.000 0.671 247 G HN 0.589 nan 8.290 nan 0.000 0.521 248 A N 0.079 123.154 122.820 0.425 0.000 2.462 248 A HA 0.540 4.860 4.320 -0.000 0.000 0.243 248 A C 1.245 179.057 177.584 0.381 0.000 1.076 248 A CA 0.763 53.120 52.037 0.532 0.000 0.773 248 A CB 0.333 19.648 19.000 0.525 0.000 1.010 248 A HN 0.266 nan 8.150 nan 0.000 0.493 249 D N 0.965 121.604 120.400 0.399 0.000 2.162 249 D HA 0.074 4.714 4.640 -0.000 0.000 0.203 249 D C 0.295 176.762 176.300 0.279 0.000 0.967 249 D CA 1.442 55.670 54.000 0.381 0.000 0.840 249 D CB 0.154 41.185 40.800 0.385 0.000 0.972 249 D HN 0.561 nan 8.370 nan 0.000 0.482 250 I N -0.107 120.553 120.570 0.151 0.000 2.769 250 I HA 0.474 4.644 4.170 -0.000 0.000 0.298 250 I C -1.056 175.083 176.117 0.037 0.000 1.128 250 I CA -0.999 60.350 61.300 0.082 0.000 1.031 250 I CB 2.595 40.593 38.000 -0.004 0.000 1.235 250 I HN -0.229 nan 8.210 nan 0.000 0.423 251 A N 4.942 127.811 122.820 0.083 0.000 2.398 251 A HA 0.878 5.198 4.320 -0.000 0.000 0.301 251 A C -0.862 176.771 177.584 0.082 0.000 1.041 251 A CA -0.557 51.555 52.037 0.124 0.000 0.711 251 A CB 1.608 20.764 19.000 0.261 0.000 1.240 251 A HN 0.641 nan 8.150 nan 0.000 0.420 252 V N -0.606 119.182 119.914 -0.211 0.000 3.158 252 V HA 1.089 5.208 4.120 -0.000 0.000 0.311 252 V C 0.146 175.557 176.094 -1.139 0.000 1.181 252 V CA -0.238 61.622 62.300 -0.733 0.000 1.054 252 V CB 1.327 32.878 31.823 -0.453 0.000 1.085 252 V HN 2.314 nan 8.190 nan 0.000 0.446 253 G N 0.204 108.175 108.800 -1.382 0.000 2.316 253 G HA2 0.448 4.408 3.960 -0.000 0.000 0.296 253 G HA3 0.448 4.408 3.960 -0.000 0.000 0.296 253 G C -2.420 172.142 174.900 -0.564 0.000 1.399 253 G CA -0.288 44.332 45.100 -0.800 0.000 0.833 253 G HN 1.083 nan 8.290 nan 0.000 0.565 254 D N -1.292 118.974 120.400 -0.223 0.000 2.192 254 D HA 0.567 5.206 4.640 -0.000 0.000 0.246 254 D C 1.205 177.353 176.300 -0.253 0.000 1.042 254 D CA 0.377 54.233 54.000 -0.239 0.000 0.847 254 D CB 1.609 42.353 40.800 -0.093 0.000 1.186 254 D HN 0.612 nan 8.370 nan 0.000 0.461 255 G N 1.953 110.344 108.800 -0.682 0.000 3.042 255 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.212 255 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.212 255 G C 1.080 175.840 174.900 -0.234 0.000 1.166 255 G CA -0.123 44.513 45.100 -0.774 0.000 0.767 255 G HN 0.448 nan 8.290 nan 0.000 0.546 256 Q N 1.945 121.693 119.800 -0.085 0.000 2.181 256 Q HA -0.162 4.178 4.340 -0.000 0.000 0.205 256 Q C 2.491 178.469 176.000 -0.036 0.000 0.980 256 Q CA 1.928 57.715 55.803 -0.026 0.000 0.862 256 Q CB -0.319 28.431 28.738 0.019 0.000 0.905 256 Q HN 0.561 nan 8.270 nan 0.000 0.429 257 S N -0.393 115.289 115.700 -0.029 0.000 2.447 257 S HA -0.049 4.421 4.470 -0.000 0.000 0.233 257 S C 1.444 175.834 174.600 -0.349 0.000 1.006 257 S CA 0.311 58.449 58.200 -0.103 0.000 0.957 257 S CB -0.372 62.812 63.200 -0.027 0.000 0.773 257 S HN 0.405 nan 8.310 nan 0.000 0.507 258 L N 2.206 123.248 121.223 -0.302 0.000 2.821 258 L HA 0.378 4.718 4.340 -0.000 0.000 0.239 258 L C 1.546 177.685 176.870 -1.218 0.000 1.391 258 L CA 0.097 54.549 54.840 -0.646 0.000 1.231 258 L CB -1.075 40.925 42.059 -0.097 0.000 1.598 258 L HN 0.550 nan 8.230 nan 0.000 0.428 259 G N 0.188 108.346 108.800 -1.069 0.000 2.184 259 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.264 259 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.264 259 G C 0.292 175.044 174.900 -0.247 0.000 0.975 259 G CA -0.241 44.467 45.100 -0.654 0.000 0.642 259 G HN 0.354 nan 8.290 nan 0.000 0.536 260 L N 2.378 123.495 121.223 -0.176 0.000 2.380 260 L HA 0.335 4.675 4.340 -0.000 0.000 0.273 260 L C -1.161 175.673 176.870 -0.061 0.000 1.138 260 L CA -1.847 52.947 54.840 -0.077 0.000 0.832 260 L CB 0.501 42.538 42.059 -0.036 0.000 1.124 260 L HN 0.004 nan 8.230 nan 0.000 0.454 261 P HA 0.038 nan 4.420 nan 0.000 0.269 261 P C 0.331 177.606 177.300 -0.042 0.000 1.209 261 P CA -0.180 62.903 63.100 -0.027 0.000 0.776 261 P CB 0.833 32.523 31.700 -0.018 0.000 0.876 262 M N 1.349 120.937 119.600 -0.020 0.000 2.175 262 M HA -0.020 4.460 4.480 -0.000 0.000 0.264 262 M C 1.576 177.865 176.300 -0.019 0.000 1.063 262 M CA 1.556 56.839 55.300 -0.029 0.000 1.119 262 M CB -1.147 31.454 32.600 0.001 0.000 1.377 262 M HN 0.665 nan 8.290 nan 0.000 0.415 263 G N 1.210 110.023 108.800 0.021 0.000 2.441 263 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.298 263 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.298 263 G C 0.149 175.146 174.900 0.161 0.000 0.949 263 G CA 0.291 45.428 45.100 0.060 0.000 1.072 263 G HN 0.595 nan 8.290 nan 0.000 0.512 264 F N -1.592 118.338 119.950 -0.034 0.000 3.067 264 F HA -0.193 4.334 4.527 -0.000 0.000 0.279 264 F C 1.712 177.516 175.800 0.006 0.000 0.945 264 F CA 2.158 60.148 58.000 -0.016 0.000 0.948 264 F CB -1.108 37.887 39.000 -0.009 0.000 0.898 264 F HN 1.894 nan 8.300 nan 0.000 0.746 265 G N -0.712 108.067 108.800 -0.034 0.000 2.184 265 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.264 265 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.264 265 G C 1.497 176.417 174.900 0.033 0.000 0.975 265 G CA 0.982 46.074 45.100 -0.013 0.000 0.642 265 G HN 1.513 nan 8.290 nan 0.000 0.536 266 G N 1.446 110.245 108.800 -0.002 0.000 2.505 266 G HA2 0.207 4.167 3.960 -0.000 0.000 0.214 266 G HA3 0.207 4.167 3.960 -0.000 0.000 0.214 266 G C -0.641 174.223 174.900 -0.060 0.000 1.237 266 G CA 1.047 46.162 45.100 0.024 0.000 0.802 266 G HN 0.605 nan 8.290 nan 0.000 0.549 267 P HA 0.135 nan 4.420 nan 0.000 0.261 267 P C -0.718 176.324 177.300 -0.431 0.000 1.203 267 P CA 0.941 63.930 63.100 -0.185 0.000 0.767 267 P CB 0.417 32.043 31.700 -0.123 0.000 0.785 268 H N 2.119 121.232 119.070 0.071 0.000 2.918 268 H HA 0.580 5.136 4.556 -0.000 0.000 0.303 268 H C -0.584 174.847 175.328 0.172 0.000 1.380 268 H CA -0.285 55.789 56.048 0.043 0.000 1.134 268 H CB 1.895 31.645 29.762 -0.019 0.000 1.842 268 H HN 0.453 nan 8.280 nan 0.000 0.533 269 F N -1.340 118.712 119.950 0.171 0.000 2.655 269 F HA 0.514 5.041 4.527 -0.000 0.000 0.324 269 F C -1.113 174.731 175.800 0.074 0.000 1.081 269 F CA -0.713 57.336 58.000 0.082 0.000 1.088 269 F CB 0.417 39.438 39.000 0.035 0.000 1.327 269 F HN 0.614 nan 8.300 nan 0.000 0.522 270 G N 2.700 111.525 108.800 0.041 0.000 2.412 270 G HA2 0.619 4.579 3.960 -0.000 0.000 0.318 270 G HA3 0.619 4.579 3.960 -0.000 0.000 0.318 270 G C -1.539 173.450 174.900 0.148 0.000 1.146 270 G CA -0.795 44.225 45.100 -0.134 0.000 0.882 270 G HN 1.009 nan 8.290 nan 0.000 0.501 271 F N 0.299 120.279 119.950 0.050 0.000 2.507 271 F HA 0.836 5.363 4.527 -0.000 0.000 0.327 271 F C -1.018 174.802 175.800 0.034 0.000 1.068 271 F CA -2.226 55.870 58.000 0.160 0.000 0.965 271 F CB 2.025 41.133 39.000 0.179 0.000 1.192 271 F HN 0.416 nan 8.300 nan 0.000 0.476 272 L N 3.225 124.654 121.223 0.344 0.000 2.541 272 L HA 0.803 5.143 4.340 -0.000 0.000 0.266 272 L C -1.501 175.500 176.870 0.219 0.000 0.966 272 L CA -0.527 54.418 54.840 0.175 0.000 0.871 272 L CB 1.315 43.393 42.059 0.031 0.000 1.232 272 L HN 1.128 nan 8.230 nan 0.000 0.408 273 A N 3.052 126.018 122.820 0.244 0.000 2.365 273 A HA 0.884 5.204 4.320 -0.000 0.000 0.318 273 A C -0.556 177.103 177.584 0.126 0.000 1.091 273 A CA -0.298 51.823 52.037 0.140 0.000 0.763 273 A CB 2.178 21.232 19.000 0.090 0.000 1.248 273 A HN 0.622 nan 8.150 nan 0.000 0.442 274 T N 0.183 114.801 114.554 0.106 0.000 2.598 274 T HA 0.467 4.817 4.350 -0.000 0.000 0.289 274 T C -1.010 173.747 174.700 0.096 0.000 1.056 274 T CA -0.537 61.654 62.100 0.152 0.000 1.088 274 T CB 0.823 69.826 68.868 0.224 0.000 1.519 274 T HN 0.638 nan 8.240 nan 0.000 0.488 275 K N 1.251 121.701 120.400 0.084 0.000 2.098 275 K HA 0.382 4.702 4.320 -0.000 0.000 0.258 275 K C 0.794 177.307 176.600 -0.144 0.000 0.973 275 K CA -0.648 55.582 56.287 -0.094 0.000 0.898 275 K CB 1.171 33.512 32.500 -0.265 0.000 1.057 275 K HN 0.496 nan 8.250 nan 0.000 0.447 276 K N 1.510 121.828 120.400 -0.136 0.000 2.280 276 K HA -0.162 4.157 4.320 -0.000 0.000 0.202 276 K C 1.632 178.127 176.600 -0.175 0.000 1.047 276 K CA 1.372 57.595 56.287 -0.107 0.000 0.942 276 K CB -0.061 32.392 32.500 -0.078 0.000 0.739 276 K HN 0.704 nan 8.250 nan 0.000 0.457 277 A N 0.154 122.762 122.820 -0.352 0.000 2.019 277 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 277 A C 1.051 178.402 177.584 -0.389 0.000 1.164 277 A CA 1.084 52.837 52.037 -0.473 0.000 0.644 277 A CB -0.364 18.180 19.000 -0.761 0.000 0.805 277 A HN 0.352 nan 8.150 nan 0.000 0.449 278 F N -1.837 118.100 119.950 -0.021 0.000 2.647 278 F HA 0.236 4.763 4.527 -0.000 0.000 0.300 278 F C 1.629 177.410 175.800 -0.033 0.000 1.106 278 F CA -0.810 57.173 58.000 -0.027 0.000 1.313 278 F CB -0.590 38.406 39.000 -0.006 0.000 1.007 278 F HN 0.031 nan 8.300 nan 0.000 0.536 279 V N 1.104 121.063 119.914 0.075 0.000 2.546 279 V HA -0.250 3.870 4.120 -0.000 0.000 0.254 279 V C 2.471 178.582 176.094 0.028 0.000 1.076 279 V CA 1.966 64.294 62.300 0.047 0.000 1.087 279 V CB -0.190 31.641 31.823 0.013 0.000 0.674 279 V HN 0.277 nan 8.190 nan 0.000 0.470 280 R N -0.641 119.839 120.500 -0.035 0.000 2.115 280 R HA -0.076 4.264 4.340 -0.000 0.000 0.230 280 R C 2.030 178.336 176.300 0.010 0.000 1.111 280 R CA 1.168 57.190 56.100 -0.129 0.000 0.976 280 R CB -0.325 29.683 30.300 -0.488 0.000 0.870 280 R HN 0.451 nan 8.270 nan 0.000 0.445 281 Q N 0.335 120.160 119.800 0.043 0.000 2.319 281 Q HA 0.109 4.449 4.340 -0.000 0.000 0.202 281 Q C -0.302 175.738 176.000 0.066 0.000 0.896 281 Q CA -0.026 55.816 55.803 0.066 0.000 0.942 281 Q CB 0.170 28.933 28.738 0.042 0.000 1.083 281 Q HN 0.023 nan 8.270 nan 0.000 0.510 282 L N 3.202 124.471 121.223 0.076 0.000 2.500 282 L HA 0.226 4.566 4.340 -0.000 0.000 0.272 282 L C -2.297 174.608 176.870 0.058 0.000 1.149 282 L CA -1.244 53.637 54.840 0.068 0.000 0.897 282 L CB 0.334 42.438 42.059 0.076 0.000 1.178 282 L HN 0.017 nan 8.230 nan 0.000 0.473 283 P HA 0.527 nan 4.420 nan 0.000 0.280 283 P C -0.087 177.224 177.300 0.017 0.000 1.272 283 P CA 0.159 63.278 63.100 0.030 0.000 0.819 283 P CB 1.377 33.085 31.700 0.014 0.000 1.122 284 G N 0.444 109.250 108.800 0.010 0.000 2.627 284 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.214 284 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.214 284 G C -0.816 174.095 174.900 0.018 0.000 1.331 284 G CA -0.771 44.324 45.100 -0.009 0.000 0.891 284 G HN 0.682 nan 8.290 nan 0.000 0.539 285 R N -1.112 119.393 120.500 0.008 0.000 2.532 285 R HA 0.733 5.073 4.340 -0.000 0.000 0.272 285 R C -0.237 176.092 176.300 0.049 0.000 1.032 285 R CA -0.542 55.572 56.100 0.023 0.000 1.089 285 R CB 1.020 31.312 30.300 -0.013 0.000 1.098 285 R HN 0.461 nan 8.270 nan 0.000 0.526 286 L N 1.792 123.055 121.223 0.067 0.000 2.438 286 L HA 0.395 4.735 4.340 -0.000 0.000 0.270 286 L C -1.163 175.775 176.870 0.114 0.000 0.972 286 L CA -0.923 53.972 54.840 0.092 0.000 0.831 286 L CB 2.363 44.477 42.059 0.091 0.000 1.273 286 L HN 0.316 nan 8.230 nan 0.000 0.405 287 V N 2.451 122.458 119.914 0.156 0.000 2.435 287 V HA 0.514 4.634 4.120 -0.000 0.000 0.290 287 V C 0.014 176.295 176.094 0.312 0.000 1.030 287 V CA -0.240 62.187 62.300 0.211 0.000 0.881 287 V CB 1.836 33.797 31.823 0.230 0.000 0.983 287 V HN 0.765 nan 8.190 nan 0.000 0.445 288 S N 3.262 119.111 115.700 0.248 0.000 2.566 288 S HA 0.519 4.989 4.470 -0.000 0.000 0.298 288 S C -0.580 174.069 174.600 0.083 0.000 1.083 288 S CA -0.656 57.678 58.200 0.224 0.000 0.978 288 S CB 1.740 65.017 63.200 0.129 0.000 1.073 288 S HN 0.853 nan 8.310 nan 0.000 0.491 289 E N 1.082 121.237 120.200 -0.075 0.000 2.349 289 E HA 0.502 4.852 4.350 -0.000 0.000 0.265 289 E C -0.187 176.238 176.600 -0.291 0.000 1.064 289 E CA -0.083 56.054 56.400 -0.438 0.000 0.886 289 E CB 1.143 30.542 29.700 -0.502 0.000 1.036 289 E HN 0.652 nan 8.360 nan 0.000 0.413 290 T N 1.252 115.568 114.554 -0.396 0.000 2.647 290 T HA 0.405 4.754 4.350 -0.000 0.000 0.302 290 T C -1.915 172.630 174.700 -0.259 0.000 1.389 290 T CA -0.408 61.552 62.100 -0.234 0.000 1.037 290 T CB 1.170 69.950 68.868 -0.147 0.000 1.755 290 T HN 0.286 nan 8.240 nan 0.000 0.467 291 V N 1.978 121.791 119.914 -0.169 0.000 3.049 291 V HA 0.616 4.736 4.120 -0.000 0.000 0.309 291 V C -1.255 174.777 176.094 -0.103 0.000 1.148 291 V CA -0.454 61.758 62.300 -0.147 0.000 0.990 291 V CB 2.115 33.871 31.823 -0.111 0.000 1.039 291 V HN 1.108 nan 8.190 nan 0.000 0.430 292 D N 3.257 123.604 120.400 -0.090 0.000 2.478 292 D HA 0.109 4.749 4.640 -0.000 0.000 0.274 292 D C 1.233 177.506 176.300 -0.045 0.000 1.234 292 D CA 0.262 54.226 54.000 -0.060 0.000 1.069 292 D CB 1.247 42.016 40.800 -0.052 0.000 1.113 292 D HN 0.305 nan 8.370 nan 0.000 0.571 293 V N -0.465 119.429 119.914 -0.032 0.000 2.568 293 V HA -0.190 3.930 4.120 -0.000 0.000 0.253 293 V C 1.312 177.391 176.094 -0.025 0.000 1.072 293 V CA 2.021 64.306 62.300 -0.025 0.000 1.084 293 V CB -0.622 31.191 31.823 -0.018 0.000 0.676 293 V HN 0.536 nan 8.190 nan 0.000 0.469 294 E N -1.040 119.143 120.200 -0.027 0.000 2.499 294 E HA 0.346 4.696 4.350 -0.000 0.000 0.199 294 E C 1.269 177.851 176.600 -0.030 0.000 1.016 294 E CA 0.474 56.859 56.400 -0.025 0.000 0.933 294 E CB 0.522 30.209 29.700 -0.020 0.000 1.050 294 E HN 0.643 nan 8.360 nan 0.000 0.462 295 G N 2.255 111.031 108.800 -0.040 0.000 2.176 295 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.253 295 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.253 295 G C 0.263 175.128 174.900 -0.059 0.000 0.979 295 G CA -0.181 44.890 45.100 -0.047 0.000 0.641 295 G HN 0.194 nan 8.290 nan 0.000 0.530 296 R N 0.286 120.750 120.500 -0.060 0.000 2.543 296 R HA 0.397 4.737 4.340 -0.000 0.000 0.277 296 R C 0.937 177.168 176.300 -0.115 0.000 1.074 296 R CA -0.407 55.652 56.100 -0.069 0.000 1.076 296 R CB 0.619 30.888 30.300 -0.052 0.000 0.993 296 R HN 0.387 nan 8.270 nan 0.000 0.459 297 R N 0.914 121.332 120.500 -0.138 0.000 2.491 297 R HA 0.224 4.564 4.340 -0.000 0.000 0.283 297 R C -0.365 175.732 176.300 -0.338 0.000 1.072 297 R CA 0.310 56.257 56.100 -0.255 0.000 1.048 297 R CB 0.633 30.794 30.300 -0.231 0.000 0.983 297 R HN 0.820 nan 8.270 nan 0.000 0.450 298 G N 2.392 110.855 108.800 -0.563 0.000 2.695 298 G HA2 0.595 4.555 3.960 -0.000 0.000 0.290 298 G HA3 0.595 4.555 3.960 -0.000 0.000 0.290 298 G C -1.801 172.534 174.900 -0.942 0.000 1.410 298 G CA -0.713 44.066 45.100 -0.535 0.000 0.844 298 G HN 0.423 nan 8.290 nan 0.000 0.478 299 F N -0.346 119.539 119.950 -0.109 0.000 2.576 299 F HA 0.798 5.325 4.527 -0.000 0.000 0.313 299 F C 0.019 175.789 175.800 -0.050 0.000 1.078 299 F CA -0.867 57.059 58.000 -0.122 0.000 0.921 299 F CB 2.673 41.594 39.000 -0.132 0.000 1.232 299 F HN 0.425 nan 8.300 nan 0.000 0.459 300 I N 2.337 122.987 120.570 0.134 0.000 2.842 300 I HA 0.376 4.546 4.170 -0.000 0.000 0.297 300 I C -1.519 174.657 176.117 0.099 0.000 1.380 300 I CA -0.830 60.525 61.300 0.092 0.000 1.018 300 I CB 1.831 39.857 38.000 0.044 0.000 1.311 300 I HN 0.448 nan 8.210 nan 0.000 0.439 301 L N 5.128 126.402 121.223 0.084 0.000 2.490 301 L HA 0.228 4.568 4.340 -0.000 0.000 0.274 301 L C 0.277 177.200 176.870 0.089 0.000 1.201 301 L CA 0.814 55.705 54.840 0.084 0.000 0.869 301 L CB 0.658 42.765 42.059 0.079 0.000 1.123 301 L HN 0.618 nan 8.230 nan 0.000 0.484 302 T N 2.834 117.442 114.554 0.091 0.000 2.812 302 T HA 0.494 4.844 4.350 -0.000 0.000 0.294 302 T C -0.121 174.630 174.700 0.085 0.000 1.159 302 T CA -0.606 61.543 62.100 0.083 0.000 1.008 302 T CB 0.752 69.668 68.868 0.081 0.000 1.289 302 T HN 0.510 nan 8.240 nan 0.000 0.514 303 L N 1.741 123.013 121.223 0.080 0.000 3.677 303 L HA -0.201 4.139 4.340 -0.000 0.000 0.464 303 L C 0.875 177.803 176.870 0.096 0.000 1.278 303 L CA 0.164 55.057 54.840 0.090 0.000 0.806 303 L CB -1.208 40.906 42.059 0.091 0.000 1.610 303 L HN 0.694 nan 8.230 nan 0.000 0.867 304 Q N 0.103 119.954 119.800 0.085 0.000 2.472 304 Q HA 0.078 4.417 4.340 -0.000 0.000 0.208 304 Q C 2.221 178.266 176.000 0.076 0.000 0.958 304 Q CA 1.055 56.906 55.803 0.080 0.000 0.932 304 Q CB 0.116 28.896 28.738 0.069 0.000 1.007 304 Q HN 0.720 nan 8.270 nan 0.000 0.508 305 A N 0.634 123.507 122.820 0.088 0.000 2.070 305 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 305 A C 1.778 179.437 177.584 0.125 0.000 1.159 305 A CA 0.997 53.080 52.037 0.077 0.000 0.656 305 A CB -0.225 18.839 19.000 0.107 0.000 0.800 305 A HN 0.244 nan 8.150 nan 0.000 0.453 306 R N -0.464 120.153 120.500 0.195 0.000 2.159 306 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 306 R C 1.779 178.181 176.300 0.169 0.000 1.131 306 R CA 1.440 57.694 56.100 0.257 0.000 0.982 306 R CB -0.245 30.158 30.300 0.172 0.000 0.868 306 R HN 0.462 nan 8.270 nan 0.000 0.453 307 E N 0.223 120.479 120.200 0.094 0.000 2.209 307 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 307 E C 1.732 178.348 176.600 0.027 0.000 0.993 307 E CA 1.193 57.628 56.400 0.059 0.000 0.819 307 E CB 0.065 29.789 29.700 0.040 0.000 0.745 307 E HN 0.210 nan 8.360 nan 0.000 0.477 308 Q N -1.528 118.256 119.800 -0.026 0.000 2.123 308 Q HA -0.002 4.338 4.340 -0.000 0.000 0.196 308 Q C 1.420 177.361 176.000 -0.097 0.000 0.958 308 Q CA 0.940 56.674 55.803 -0.115 0.000 0.841 308 Q CB -0.198 28.387 28.738 -0.255 0.000 0.915 308 Q HN 0.402 nan 8.270 nan 0.000 0.455 309 Y N -0.320 119.997 120.300 0.030 0.000 2.352 309 Y HA -0.081 4.469 4.550 -0.000 0.000 0.292 309 Y C 1.697 177.615 175.900 0.030 0.000 1.136 309 Y CA 0.771 58.890 58.100 0.031 0.000 1.227 309 Y CB -0.126 38.357 38.460 0.039 0.000 0.991 309 Y HN 0.117 nan 8.280 nan 0.000 0.545 310 I N -0.748 119.924 120.570 0.170 0.000 2.876 310 I HA -0.145 4.025 4.170 -0.000 0.000 0.264 310 I C 1.532 177.692 176.117 0.072 0.000 1.204 310 I CA 1.050 62.416 61.300 0.109 0.000 1.485 310 I CB -0.125 37.930 38.000 0.092 0.000 1.103 310 I HN 0.058 nan 8.210 nan 0.000 0.446 311 R N 0.565 121.098 120.500 0.054 0.000 2.437 311 R HA 0.128 4.468 4.340 -0.000 0.000 0.257 311 R C 2.034 178.349 176.300 0.025 0.000 0.927 311 R CA -0.168 55.952 56.100 0.034 0.000 1.078 311 R CB 0.122 30.435 30.300 0.022 0.000 1.161 311 R HN 0.323 nan 8.270 nan 0.000 0.529 312 R N 0.365 120.885 120.500 0.032 0.000 2.193 312 R HA 0.061 4.401 4.340 -0.000 0.000 0.229 312 R C 0.723 177.041 176.300 0.030 0.000 1.110 312 R CA 1.435 57.550 56.100 0.025 0.000 0.988 312 R CB 0.058 30.382 30.300 0.041 0.000 0.871 312 R HN 0.089 nan 8.270 nan 0.000 0.458 313 A N 0.559 123.401 122.820 0.037 0.000 4.504 313 A HA 0.513 4.833 4.320 -0.000 0.000 0.202 313 A C -1.083 176.517 177.584 0.026 0.000 0.770 313 A CA -0.808 51.247 52.037 0.030 0.000 0.714 313 A CB 0.481 19.502 19.000 0.035 0.000 1.741 313 A HN 0.072 nan 8.150 nan 0.000 0.888 314 K N -0.475 119.939 120.400 0.024 0.000 2.132 314 K HA 0.565 4.885 4.320 -0.000 0.000 0.240 314 K C 0.520 177.134 176.600 0.023 0.000 1.036 314 K CA 0.868 57.167 56.287 0.020 0.000 0.888 314 K CB -0.012 32.498 32.500 0.016 0.000 1.071 314 K HN 1.980 nan 8.250 nan 0.000 0.502 315 A N 0.530 123.364 122.820 0.022 0.000 2.560 315 A HA -0.278 4.042 4.320 -0.000 0.000 0.299 315 A C -0.310 177.296 177.584 0.036 0.000 1.484 315 A CA 1.082 53.136 52.037 0.028 0.000 0.749 315 A CB -1.977 17.034 19.000 0.019 0.000 1.072 315 A HN 0.522 nan 8.150 nan 0.000 0.426 316 K N -0.028 120.393 120.400 0.036 0.000 2.187 316 K HA 0.495 4.815 4.320 -0.000 0.000 0.247 316 K C 0.624 177.258 176.600 0.057 0.000 1.019 316 K CA 0.712 57.024 56.287 0.042 0.000 0.893 316 K CB 0.526 33.045 32.500 0.032 0.000 1.025 316 K HN 0.658 nan 8.250 nan 0.000 0.500 317 S N 0.098 115.834 115.700 0.061 0.000 2.556 317 S HA 0.373 4.843 4.470 -0.000 0.000 0.271 317 S C -1.500 173.143 174.600 0.072 0.000 1.135 317 S CA -0.845 57.403 58.200 0.080 0.000 0.858 317 S CB 1.191 64.436 63.200 0.075 0.000 1.114 317 S HN 0.644 nan 8.310 nan 0.000 0.468 318 N N 3.020 121.773 118.700 0.087 0.000 2.651 318 N HA 0.276 5.016 4.740 -0.000 0.000 0.277 318 N C -1.373 174.199 175.510 0.103 0.000 1.787 318 N CA -0.282 52.816 53.050 0.080 0.000 0.818 318 N CB 0.050 38.574 38.487 0.062 0.000 1.316 318 N HN 0.535 nan 8.380 nan 0.000 0.503 319 I N 1.371 121.997 120.570 0.093 0.000 2.505 319 I HA 0.071 4.241 4.170 -0.000 0.000 0.287 319 I C 1.238 177.411 176.117 0.093 0.000 1.104 319 I CA 0.449 61.802 61.300 0.088 0.000 1.387 319 I CB 0.473 38.475 38.000 0.003 0.000 1.404 319 I HN 0.303 nan 8.210 nan 0.000 0.528 320 T N 3.896 118.538 114.554 0.146 0.000 3.044 320 T HA 0.017 4.367 4.350 -0.000 0.000 0.255 320 T C 0.959 175.742 174.700 0.138 0.000 1.073 320 T CA 0.790 62.975 62.100 0.142 0.000 1.125 320 T CB 0.388 69.350 68.868 0.156 0.000 0.908 320 T HN 0.704 nan 8.240 nan 0.000 0.480 321 T N 0.580 115.229 114.554 0.159 0.000 2.645 321 T HA 0.504 4.853 4.350 -0.000 0.000 0.300 321 T C -1.513 173.187 174.700 0.002 0.000 1.210 321 T CA -0.810 61.355 62.100 0.108 0.000 1.034 321 T CB 1.419 70.402 68.868 0.192 0.000 1.537 321 T HN 0.293 nan 8.240 nan 0.000 0.492 322 N N 0.065 118.762 118.700 -0.005 0.000 3.369 322 N HA 0.678 5.418 4.740 -0.000 0.000 0.362 322 N C -1.004 174.537 175.510 0.052 0.000 1.523 322 N CA -0.240 52.745 53.050 -0.109 0.000 0.684 322 N CB 0.721 39.129 38.487 -0.133 0.000 1.796 322 N HN 0.695 nan 8.380 nan 0.000 0.641 323 A N -0.396 122.423 122.820 -0.002 0.000 3.105 323 A HA 0.257 4.577 4.320 -0.000 0.000 0.297 323 A C 0.996 178.525 177.584 -0.091 0.000 0.977 323 A CA -0.285 51.786 52.037 0.057 0.000 1.020 323 A CB -0.123 18.974 19.000 0.161 0.000 1.098 323 A HN 0.583 nan 8.150 nan 0.000 0.497 324 Q N 0.202 119.925 119.800 -0.128 0.000 2.012 324 Q HA -0.256 4.084 4.340 -0.000 0.000 0.211 324 Q C 1.655 177.509 176.000 -0.243 0.000 1.009 324 Q CA 2.665 58.336 55.803 -0.221 0.000 0.866 324 Q CB -0.449 28.198 28.738 -0.153 0.000 0.945 324 Q HN 0.655 nan 8.270 nan 0.000 0.414 325 L N -0.053 121.090 121.223 -0.134 0.000 1.990 325 L HA -0.228 4.112 4.340 -0.000 0.000 0.213 325 L C 2.394 179.162 176.870 -0.169 0.000 1.072 325 L CA 2.868 57.631 54.840 -0.128 0.000 0.755 325 L CB -1.306 40.729 42.059 -0.040 0.000 0.889 325 L HN 0.662 nan 8.230 nan 0.000 0.432 326 T N -3.039 111.447 114.554 -0.113 0.000 2.788 326 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 326 T C 1.877 176.359 174.700 -0.364 0.000 1.044 326 T CA 1.017 63.072 62.100 -0.075 0.000 1.139 326 T CB -0.961 67.986 68.868 0.132 0.000 0.867 326 T HN 0.376 nan 8.240 nan 0.000 0.454 327 A N 1.288 123.702 122.820 -0.677 0.000 1.972 327 A HA 0.149 4.468 4.320 -0.000 0.000 0.219 327 A C 2.286 179.343 177.584 -0.879 0.000 1.169 327 A CA 1.313 52.512 52.037 -1.396 0.000 0.635 327 A CB -0.826 17.334 19.000 -1.400 0.000 0.810 327 A HN 0.448 nan 8.150 nan 0.000 0.446 328 L N -0.503 120.378 121.223 -0.569 0.000 2.056 328 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 328 L C 2.464 179.159 176.870 -0.292 0.000 1.078 328 L CA 2.020 56.608 54.840 -0.420 0.000 0.749 328 L CB -0.477 41.313 42.059 -0.448 0.000 0.901 328 L HN 0.442 nan 8.230 nan 0.000 0.433 329 M N -1.211 118.247 119.600 -0.236 0.000 2.213 329 M HA -0.103 4.376 4.480 -0.000 0.000 0.263 329 M C 2.146 178.428 176.300 -0.029 0.000 1.062 329 M CA 1.564 56.800 55.300 -0.106 0.000 1.105 329 M CB -1.081 31.483 32.600 -0.060 0.000 1.385 329 M HN 0.438 nan 8.290 nan 0.000 0.417 330 G N 0.242 108.987 108.800 -0.091 0.000 2.404 330 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.215 330 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.215 330 G C 1.674 176.646 174.900 0.121 0.000 1.174 330 G CA 0.944 46.097 45.100 0.088 0.000 0.780 330 G HN 0.525 nan 8.290 nan 0.000 0.537 331 A N 0.600 123.437 122.820 0.028 0.000 1.902 331 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 331 A C 2.471 180.067 177.584 0.020 0.000 1.181 331 A CA 1.885 53.949 52.037 0.044 0.000 0.623 331 A CB -0.383 18.636 19.000 0.030 0.000 0.818 331 A HN 0.387 nan 8.150 nan 0.000 0.443 332 M N -2.416 117.181 119.600 -0.005 0.000 2.159 332 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 332 M C 2.214 178.550 176.300 0.059 0.000 1.063 332 M CA 1.926 57.227 55.300 0.003 0.000 1.110 332 M CB -0.468 32.121 32.600 -0.017 0.000 1.374 332 M HN 0.610 nan 8.290 nan 0.000 0.411 333 Y N 0.841 121.130 120.300 -0.018 0.000 2.114 333 Y HA -0.248 4.302 4.550 -0.000 0.000 0.284 333 Y C 1.984 177.885 175.900 0.003 0.000 1.143 333 Y CA 1.516 59.617 58.100 0.002 0.000 1.135 333 Y CB -0.214 38.258 38.460 0.021 0.000 0.980 333 Y HN 0.003 nan 8.280 nan 0.000 0.499 334 L N 0.242 121.541 121.223 0.127 0.000 2.042 334 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 334 L C 2.615 179.447 176.870 -0.063 0.000 1.076 334 L CA 2.049 56.900 54.840 0.019 0.000 0.749 334 L CB -1.632 40.457 42.059 0.050 0.000 0.893 334 L HN 0.375 nan 8.230 nan 0.000 0.432 335 A N -1.296 121.499 122.820 -0.043 0.000 1.968 335 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 335 A C 2.433 179.976 177.584 -0.069 0.000 1.169 335 A CA 1.359 53.365 52.037 -0.050 0.000 0.638 335 A CB -0.645 18.335 19.000 -0.033 0.000 0.812 335 A HN 0.380 nan 8.150 nan 0.000 0.446 336 A N -0.776 121.986 122.820 -0.097 0.000 1.929 336 A HA 0.109 4.429 4.320 -0.000 0.000 0.216 336 A C 1.930 179.424 177.584 -0.149 0.000 1.176 336 A CA 1.323 53.295 52.037 -0.110 0.000 0.628 336 A CB -0.246 18.686 19.000 -0.113 0.000 0.816 336 A HN 0.368 nan 8.150 nan 0.000 0.444 337 L N -1.638 119.445 121.223 -0.234 0.000 2.298 337 L HA 0.225 4.565 4.340 -0.000 0.000 0.209 337 L C 1.496 178.292 176.870 -0.122 0.000 1.084 337 L CA 1.586 56.299 54.840 -0.211 0.000 0.816 337 L CB -2.043 39.816 42.059 -0.333 0.000 0.967 337 L HN 0.608 nan 8.230 nan 0.000 0.460 338 G N 0.603 109.339 108.800 -0.105 0.000 2.855 338 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.352 338 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.352 338 G C -1.545 173.321 174.900 -0.056 0.000 1.415 338 G CA -0.118 44.941 45.100 -0.067 0.000 0.871 338 G HN 0.133 nan 8.290 nan 0.000 0.543 339 P HA -0.119 nan 4.420 nan 0.000 0.216 339 P C 1.289 178.575 177.300 -0.022 0.000 1.153 339 P CA 1.847 64.929 63.100 -0.031 0.000 0.858 339 P CB 0.094 31.777 31.700 -0.029 0.000 0.789 340 E N -0.216 119.970 120.200 -0.023 0.000 2.072 340 E HA -0.047 4.303 4.350 -0.000 0.000 0.190 340 E C 2.395 178.985 176.600 -0.017 0.000 0.982 340 E CA 1.306 57.697 56.400 -0.016 0.000 0.803 340 E CB -1.155 28.536 29.700 -0.015 0.000 0.755 340 E HN 0.239 nan 8.360 nan 0.000 0.453 341 G N 1.334 110.113 108.800 -0.034 0.000 2.440 341 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.218 341 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.218 341 G C 1.650 176.528 174.900 -0.037 0.000 1.154 341 G CA 0.878 45.951 45.100 -0.045 0.000 0.767 341 G HN 0.250 nan 8.290 nan 0.000 0.552 342 L N 0.442 121.643 121.223 -0.038 0.000 2.027 342 L HA 0.114 4.454 4.340 -0.000 0.000 0.206 342 L C 2.792 179.688 176.870 0.044 0.000 1.074 342 L CA 2.129 56.972 54.840 0.004 0.000 0.745 342 L CB -0.534 41.532 42.059 0.011 0.000 0.898 342 L HN 0.245 nan 8.230 nan 0.000 0.433 343 R N -0.418 120.100 120.500 0.031 0.000 2.091 343 R HA -0.205 4.135 4.340 -0.000 0.000 0.238 343 R C 2.131 178.457 176.300 0.043 0.000 1.136 343 R CA 2.014 58.141 56.100 0.045 0.000 0.959 343 R CB -0.250 30.066 30.300 0.027 0.000 0.856 343 R HN 0.533 nan 8.270 nan 0.000 0.437 344 E N -0.346 119.869 120.200 0.026 0.000 2.051 344 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 344 E C 2.022 178.645 176.600 0.038 0.000 0.991 344 E CA 1.642 58.055 56.400 0.022 0.000 0.799 344 E CB -0.035 29.672 29.700 0.011 0.000 0.748 344 E HN 0.172 nan 8.360 nan 0.000 0.449 345 V N 1.459 121.407 119.914 0.057 0.000 2.392 345 V HA -0.294 3.826 4.120 -0.000 0.000 0.249 345 V C 2.314 178.472 176.094 0.107 0.000 1.059 345 V CA 1.869 64.226 62.300 0.095 0.000 1.051 345 V CB -0.738 31.162 31.823 0.129 0.000 0.658 345 V HN 0.326 nan 8.190 nan 0.000 0.455 346 A N -0.221 122.663 122.820 0.107 0.000 1.873 346 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 346 A C 2.213 179.793 177.584 -0.008 0.000 1.186 346 A CA 1.744 53.855 52.037 0.122 0.000 0.616 346 A CB -0.516 18.615 19.000 0.218 0.000 0.823 346 A HN 0.488 nan 8.150 nan 0.000 0.442 347 L N -0.889 120.330 121.223 -0.006 0.000 2.017 347 L HA -0.199 4.140 4.340 -0.000 0.000 0.208 347 L C 2.619 179.442 176.870 -0.079 0.000 1.073 347 L CA 1.843 56.641 54.840 -0.070 0.000 0.745 347 L CB -0.433 41.605 42.059 -0.034 0.000 0.894 347 L HN 0.322 nan 8.230 nan 0.000 0.432 348 K N 0.081 120.470 120.400 -0.018 0.000 2.063 348 K HA -0.194 4.126 4.320 -0.000 0.000 0.208 348 K C 2.355 178.965 176.600 0.017 0.000 1.048 348 K CA 1.834 58.124 56.287 0.006 0.000 0.928 348 K CB -0.467 32.056 32.500 0.037 0.000 0.713 348 K HN 0.118 nan 8.250 nan 0.000 0.442 349 S N -0.768 114.949 115.700 0.029 0.000 2.382 349 S HA -0.082 4.388 4.470 -0.000 0.000 0.228 349 S C 1.826 176.416 174.600 -0.015 0.000 1.027 349 S CA 1.346 59.583 58.200 0.062 0.000 0.991 349 S CB -0.271 63.008 63.200 0.131 0.000 0.823 349 S HN 0.147 nan 8.310 nan 0.000 0.469 350 V N 1.778 121.572 119.914 -0.200 0.000 2.427 350 V HA -0.101 4.019 4.120 -0.000 0.000 0.248 350 V C 2.541 178.462 176.094 -0.288 0.000 1.051 350 V CA 2.094 64.186 62.300 -0.346 0.000 1.048 350 V CB -0.782 30.665 31.823 -0.626 0.000 0.666 350 V HN 0.630 nan 8.190 nan 0.000 0.456 351 E N 0.052 120.131 120.200 -0.202 0.000 2.031 351 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 351 E C 2.258 178.874 176.600 0.026 0.000 0.994 351 E CA 1.523 57.848 56.400 -0.125 0.000 0.800 351 E CB -0.104 29.554 29.700 -0.071 0.000 0.752 351 E HN 0.349 nan 8.360 nan 0.000 0.447 352 M N 0.500 120.150 119.600 0.083 0.000 2.279 352 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 352 M C 2.271 178.715 176.300 0.239 0.000 1.062 352 M CA 1.299 56.696 55.300 0.162 0.000 1.099 352 M CB -1.085 31.636 32.600 0.203 0.000 1.394 352 M HN 0.269 nan 8.290 nan 0.000 0.426 353 A N -0.369 122.624 122.820 0.288 0.000 1.854 353 A HA -0.151 4.169 4.320 -0.000 0.000 0.214 353 A C 2.005 179.899 177.584 0.518 0.000 1.192 353 A CA 1.291 53.615 52.037 0.479 0.000 0.611 353 A CB -1.106 18.215 19.000 0.534 0.000 0.832 353 A HN 0.554 nan 8.150 nan 0.000 0.442 354 H N -0.259 118.941 119.070 0.217 0.000 2.387 354 H HA -0.094 4.462 4.556 -0.000 0.000 0.299 354 H C 2.017 177.398 175.328 0.089 0.000 1.090 354 H CA 1.457 57.577 56.048 0.120 0.000 1.332 354 H CB 0.058 29.782 29.762 -0.063 0.000 1.386 354 H HN 0.477 nan 8.280 nan 0.000 0.516 355 K N 0.408 120.932 120.400 0.206 0.000 2.057 355 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 355 K C 2.150 178.797 176.600 0.077 0.000 1.050 355 K CA 0.661 57.015 56.287 0.112 0.000 0.935 355 K CB -0.056 32.499 32.500 0.090 0.000 0.715 355 K HN 0.042 nan 8.250 nan 0.000 0.439 356 L N 1.163 122.460 121.223 0.123 0.000 2.083 356 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 356 L C 2.343 179.203 176.870 -0.016 0.000 1.083 356 L CA 1.805 56.686 54.840 0.068 0.000 0.752 356 L CB -0.672 41.489 42.059 0.170 0.000 0.899 356 L HN 0.311 nan 8.230 nan 0.000 0.433 357 H N -0.259 118.671 119.070 -0.235 0.000 2.290 357 H HA -0.190 4.366 4.556 -0.000 0.000 0.298 357 H C 1.923 177.058 175.328 -0.320 0.000 1.087 357 H CA 1.845 57.499 56.048 -0.658 0.000 1.291 357 H CB 0.158 29.434 29.762 -0.810 0.000 1.369 357 H HN 0.466 nan 8.280 nan 0.000 0.492 358 A N 1.167 123.918 122.820 -0.116 0.000 1.972 358 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 358 A C 2.866 180.357 177.584 -0.154 0.000 1.169 358 A CA 1.244 53.209 52.037 -0.121 0.000 0.635 358 A CB -0.713 18.273 19.000 -0.023 0.000 0.810 358 A HN 0.429 nan 8.150 nan 0.000 0.446 359 L N -1.287 119.853 121.223 -0.138 0.000 2.044 359 L HA -0.134 4.206 4.340 -0.000 0.000 0.205 359 L C 2.340 179.094 176.870 -0.194 0.000 1.075 359 L CA 0.648 55.405 54.840 -0.139 0.000 0.747 359 L CB -0.536 41.453 42.059 -0.118 0.000 0.903 359 L HN 0.266 nan 8.230 nan 0.000 0.435 360 L N -0.645 120.423 121.223 -0.259 0.000 2.131 360 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 360 L C 2.278 178.986 176.870 -0.270 0.000 1.092 360 L CA 1.384 56.044 54.840 -0.301 0.000 0.759 360 L CB -0.892 40.917 42.059 -0.417 0.000 0.903 360 L HN 0.149 nan 8.230 nan 0.000 0.435 361 L N -0.628 120.406 121.223 -0.315 0.000 2.353 361 L HA -0.162 4.178 4.340 -0.000 0.000 0.220 361 L C 2.311 179.078 176.870 -0.172 0.000 1.133 361 L CA 1.320 55.997 54.840 -0.272 0.000 0.798 361 L CB -0.618 41.238 42.059 -0.338 0.000 0.922 361 L HN 0.381 nan 8.230 nan 0.000 0.445 362 E N -1.413 118.695 120.200 -0.154 0.000 2.371 362 E HA 0.003 4.353 4.350 -0.000 0.000 0.194 362 E C 0.478 177.018 176.600 -0.099 0.000 1.012 362 E CA -0.060 56.273 56.400 -0.110 0.000 0.860 362 E CB 0.235 29.876 29.700 -0.098 0.000 0.811 362 E HN 0.177 nan 8.360 nan 0.000 0.502 363 V N 4.710 124.555 119.914 -0.115 0.000 2.585 363 V HA 0.025 4.145 4.120 -0.000 0.000 0.296 363 V C -1.885 174.163 176.094 -0.076 0.000 1.035 363 V CA -1.165 61.077 62.300 -0.097 0.000 1.084 363 V CB 0.211 31.967 31.823 -0.112 0.000 0.953 363 V HN 0.084 nan 8.190 nan 0.000 0.483 364 P HA 0.169 nan 4.420 nan 0.000 0.268 364 P C 0.879 178.157 177.300 -0.037 0.000 1.204 364 P CA 1.107 64.181 63.100 -0.044 0.000 0.768 364 P CB 1.042 32.721 31.700 -0.036 0.000 0.842 365 G N 1.688 110.471 108.800 -0.029 0.000 2.241 365 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.244 365 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.244 365 G C -0.018 174.873 174.900 -0.016 0.000 0.998 365 G CA 0.013 45.102 45.100 -0.018 0.000 0.621 365 G HN 0.552 nan 8.290 nan 0.000 0.519 366 V N 3.020 122.914 119.914 -0.033 0.000 2.455 366 V HA 0.604 4.724 4.120 -0.000 0.000 0.273 366 V C 0.663 176.733 176.094 -0.039 0.000 1.045 366 V CA -0.189 62.090 62.300 -0.035 0.000 0.976 366 V CB 1.207 32.986 31.823 -0.073 0.000 0.993 366 V HN 0.381 nan 8.190 nan 0.000 0.475 367 R N 5.575 126.072 120.500 -0.005 0.000 2.807 367 R HA 0.533 4.873 4.340 -0.000 0.000 0.276 367 R C -2.771 173.550 176.300 0.035 0.000 0.979 367 R CA -1.953 54.149 56.100 0.003 0.000 0.928 367 R CB 2.794 33.113 30.300 0.032 0.000 1.191 367 R HN 0.401 nan 8.270 nan 0.000 0.471 368 P HA 0.148 nan 4.420 nan 0.000 0.276 368 P C -0.442 176.953 177.300 0.159 0.000 1.244 368 P CA -0.090 63.062 63.100 0.088 0.000 0.801 368 P CB 0.908 32.660 31.700 0.088 0.000 1.006 369 F N -0.013 119.980 119.950 0.071 0.000 2.268 369 F HA 0.180 4.707 4.527 -0.000 0.000 0.262 369 F C 0.610 176.440 175.800 0.050 0.000 0.910 369 F CA 0.485 58.517 58.000 0.054 0.000 1.142 369 F CB -0.305 38.721 39.000 0.043 0.000 1.229 369 F HN 0.078 nan 8.300 nan 0.000 0.781 370 T N 5.211 119.857 114.554 0.154 0.000 2.908 370 T HA 0.157 4.507 4.350 -0.000 0.000 0.301 370 T C -2.298 172.406 174.700 0.005 0.000 1.019 370 T CA -0.668 61.462 62.100 0.050 0.000 1.152 370 T CB 0.487 69.358 68.868 0.006 0.000 0.966 370 T HN 0.117 nan 8.240 nan 0.000 0.540 371 P HA 0.375 nan 4.420 nan 0.000 0.281 371 P C -0.715 176.669 177.300 0.140 0.000 1.281 371 P CA -0.851 62.271 63.100 0.035 0.000 0.811 371 P CB 0.928 32.620 31.700 -0.013 0.000 1.154 372 K N 0.766 121.209 120.400 0.071 0.000 2.110 372 K HA 0.459 4.779 4.320 -0.000 0.000 0.263 372 K C -1.875 174.730 176.600 0.009 0.000 0.975 372 K CA -1.676 54.612 56.287 0.002 0.000 0.895 372 K CB 0.158 32.603 32.500 -0.091 0.000 1.060 372 K HN 0.469 nan 8.250 nan 0.000 0.448 373 P HA 0.384 nan 4.420 nan 0.000 0.286 373 P C -0.962 176.371 177.300 0.055 0.000 1.261 373 P CA -0.486 62.572 63.100 -0.070 0.000 0.821 373 P CB 0.569 32.258 31.700 -0.019 0.000 1.013 374 F N 0.223 120.189 119.950 0.027 0.000 2.618 374 F HA 0.613 5.140 4.527 -0.000 0.000 0.332 374 F C 0.174 176.173 175.800 0.332 0.000 1.061 374 F CA -1.266 56.806 58.000 0.119 0.000 0.974 374 F CB 0.130 39.139 39.000 0.015 0.000 1.310 374 F HN 0.158 nan 8.300 nan 0.000 0.491 375 F N 1.286 121.534 119.950 0.496 0.000 2.562 375 F HA 0.251 4.778 4.527 -0.000 0.000 0.202 375 F C 1.733 177.840 175.800 0.512 0.000 1.177 375 F CA 0.632 58.869 58.000 0.395 0.000 0.937 375 F CB -0.051 39.101 39.000 0.254 0.000 1.520 375 F HN 0.596 nan 8.300 nan 0.000 0.667 376 N N 0.279 119.177 118.700 0.331 0.000 2.238 376 N HA 0.098 4.838 4.740 -0.000 0.000 0.222 376 N C -1.016 174.690 175.510 0.326 0.000 1.133 376 N CA 0.198 53.395 53.050 0.246 0.000 0.854 376 N CB 0.303 38.844 38.487 0.090 0.000 1.041 376 N HN 0.497 nan 8.380 nan 0.000 0.510 377 E N 0.153 120.559 120.200 0.343 0.000 2.356 377 E HA 0.500 4.850 4.350 -0.000 0.000 0.275 377 E C -1.560 175.080 176.600 0.068 0.000 0.904 377 E CA -0.852 55.617 56.400 0.116 0.000 0.757 377 E CB 2.155 31.871 29.700 0.026 0.000 1.232 377 E HN 0.212 nan 8.360 nan 0.000 0.442 378 F N -0.827 119.024 119.950 -0.165 0.000 2.693 378 F HA 0.799 5.326 4.527 -0.000 0.000 0.309 378 F C -1.629 174.092 175.800 -0.133 0.000 1.129 378 F CA -1.168 56.634 58.000 -0.330 0.000 0.948 378 F CB 0.885 39.413 39.000 -0.787 0.000 1.315 378 F HN 0.428 nan 8.300 nan 0.000 0.447 379 A N 3.063 125.941 122.820 0.097 0.000 2.330 379 A HA 0.874 5.194 4.320 -0.000 0.000 0.327 379 A C -1.417 176.352 177.584 0.308 0.000 1.155 379 A CA -0.785 51.311 52.037 0.097 0.000 0.803 379 A CB 1.061 20.048 19.000 -0.022 0.000 1.208 379 A HN 0.838 nan 8.150 nan 0.000 0.477 380 L N 1.401 122.802 121.223 0.297 0.000 2.354 380 L HA 0.729 5.068 4.340 -0.000 0.000 0.269 380 L C 0.407 177.384 176.870 0.178 0.000 1.005 380 L CA -0.871 54.131 54.840 0.269 0.000 0.819 380 L CB 2.168 44.383 42.059 0.260 0.000 1.311 380 L HN 0.781 nan 8.230 nan 0.000 0.423 381 A N 3.428 126.343 122.820 0.158 0.000 2.289 381 A HA 0.723 5.043 4.320 -0.000 0.000 0.298 381 A C -0.589 177.038 177.584 0.072 0.000 1.208 381 A CA -0.353 51.744 52.037 0.101 0.000 0.845 381 A CB 0.323 19.407 19.000 0.139 0.000 1.125 381 A HN 0.607 nan 8.150 nan 0.000 0.517 382 L N 4.017 125.270 121.223 0.050 0.000 2.334 382 L HA 0.462 4.802 4.340 -0.000 0.000 0.272 382 L C -1.306 175.577 176.870 0.022 0.000 1.020 382 L CA -1.957 52.907 54.840 0.040 0.000 0.812 382 L CB 2.252 44.340 42.059 0.049 0.000 1.264 382 L HN 0.571 nan 8.230 nan 0.000 0.439 383 P HA 0.025 nan 4.420 nan 0.000 0.236 383 P C -0.093 177.210 177.300 0.005 0.000 1.177 383 P CA 0.832 63.937 63.100 0.008 0.000 0.773 383 P CB 0.607 32.308 31.700 0.001 0.000 0.878 384 K N 0.080 120.483 120.400 0.006 0.000 2.352 384 K HA 0.285 4.605 4.320 -0.000 0.000 0.240 384 K C -0.702 175.900 176.600 0.003 0.000 1.017 384 K CA -0.879 55.410 56.287 0.004 0.000 0.851 384 K CB 1.036 33.537 32.500 0.003 0.000 1.261 384 K HN -0.254 nan 8.250 nan 0.000 0.451 385 D N 2.172 122.572 120.400 0.000 0.000 2.450 385 D HA -0.002 4.638 4.640 -0.000 0.000 0.247 385 D C -1.361 174.935 176.300 -0.007 0.000 1.162 385 D CA -1.471 52.526 54.000 -0.004 0.000 0.879 385 D CB 0.960 41.758 40.800 -0.003 0.000 1.163 385 D HN 0.117 nan 8.370 nan 0.000 0.472 386 P HA -0.208 nan 4.420 nan 0.000 0.216 386 P C 1.044 178.327 177.300 -0.029 0.000 1.150 386 P CA 1.171 64.252 63.100 -0.031 0.000 0.837 386 P CB 0.270 31.936 31.700 -0.056 0.000 0.786 387 E N -0.197 119.992 120.200 -0.018 0.000 2.106 387 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 387 E C 2.163 178.765 176.600 0.003 0.000 0.984 387 E CA 1.038 57.434 56.400 -0.007 0.000 0.806 387 E CB -0.374 29.326 29.700 -0.001 0.000 0.750 387 E HN 0.138 nan 8.360 nan 0.000 0.458 388 A N 0.079 122.900 122.820 0.003 0.000 1.968 388 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 388 A C 2.304 179.893 177.584 0.009 0.000 1.169 388 A CA 0.882 52.924 52.037 0.008 0.000 0.638 388 A CB -0.287 18.716 19.000 0.006 0.000 0.812 388 A HN 0.169 nan 8.150 nan 0.000 0.446 389 V N 0.182 120.099 119.914 0.006 0.000 2.270 389 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 389 V C 2.613 178.716 176.094 0.016 0.000 1.043 389 V CA 2.175 64.481 62.300 0.010 0.000 1.014 389 V CB -0.832 31.000 31.823 0.016 0.000 0.645 389 V HN 0.690 nan 8.190 nan 0.000 0.447 390 R N 0.303 120.806 120.500 0.006 0.000 2.103 390 R HA -0.252 4.088 4.340 -0.000 0.000 0.242 390 R C 2.503 178.832 176.300 0.048 0.000 1.142 390 R CA 2.288 58.401 56.100 0.022 0.000 0.960 390 R CB -0.323 29.982 30.300 0.008 0.000 0.858 390 R HN 0.466 nan 8.270 nan 0.000 0.439 391 R N -0.135 120.388 120.500 0.039 0.000 2.075 391 R HA -0.079 4.261 4.340 -0.000 0.000 0.232 391 R C 2.149 178.471 176.300 0.038 0.000 1.126 391 R CA 1.436 57.561 56.100 0.043 0.000 0.963 391 R CB -0.313 30.007 30.300 0.034 0.000 0.858 391 R HN 0.317 nan 8.270 nan 0.000 0.435 392 A N 1.093 123.931 122.820 0.030 0.000 1.902 392 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 392 A C 2.007 179.614 177.584 0.038 0.000 1.181 392 A CA 1.064 53.116 52.037 0.026 0.000 0.623 392 A CB -0.540 18.469 19.000 0.014 0.000 0.818 392 A HN 0.298 nan 8.150 nan 0.000 0.443 393 L N -0.342 120.907 121.223 0.044 0.000 2.017 393 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 393 L C 2.989 179.929 176.870 0.116 0.000 1.073 393 L CA 1.974 56.860 54.840 0.076 0.000 0.745 393 L CB -1.225 40.884 42.059 0.084 0.000 0.894 393 L HN 0.413 nan 8.230 nan 0.000 0.432 394 A N -0.935 121.920 122.820 0.058 0.000 1.908 394 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 394 A C 2.147 179.733 177.584 0.002 0.000 1.181 394 A CA 1.742 53.767 52.037 -0.020 0.000 0.627 394 A CB -0.555 18.451 19.000 0.010 0.000 0.818 394 A HN 0.554 nan 8.150 nan 0.000 0.445 395 E N -0.737 119.484 120.200 0.035 0.000 2.265 395 E HA -0.148 4.202 4.350 -0.000 0.000 0.196 395 E C 1.865 178.499 176.600 0.057 0.000 0.996 395 E CA 0.821 57.242 56.400 0.036 0.000 0.832 395 E CB -0.106 29.614 29.700 0.034 0.000 0.756 395 E HN 0.543 nan 8.360 nan 0.000 0.491 396 R N -0.802 119.762 120.500 0.108 0.000 2.317 396 R HA 0.089 4.429 4.340 -0.000 0.000 0.208 396 R C 0.965 177.403 176.300 0.230 0.000 0.914 396 R CA 0.498 56.709 56.100 0.186 0.000 1.060 396 R CB 0.802 31.236 30.300 0.224 0.000 1.015 396 R HN 0.221 nan 8.270 nan 0.000 0.498 397 G N 0.158 109.015 108.800 0.095 0.000 2.159 397 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.227 397 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.227 397 G C -0.189 174.558 174.900 -0.254 0.000 0.986 397 G CA -0.501 44.535 45.100 -0.106 0.000 0.651 397 G HN 0.153 nan 8.290 nan 0.000 0.523 398 F N 1.020 120.917 119.950 -0.089 0.000 2.492 398 F HA 0.666 5.192 4.527 -0.000 0.000 0.327 398 F C 0.443 176.190 175.800 -0.089 0.000 1.079 398 F CA -1.090 56.903 58.000 -0.012 0.000 0.967 398 F CB 1.477 40.532 39.000 0.092 0.000 1.169 398 F HN -0.008 nan 8.300 nan 0.000 0.472 399 H N 1.515 120.790 119.070 0.341 0.000 2.638 399 H HA 0.657 5.213 4.556 -0.000 0.000 0.303 399 H C 0.147 175.641 175.328 0.277 0.000 1.034 399 H CA -0.522 55.662 56.048 0.227 0.000 1.225 399 H CB 1.116 30.964 29.762 0.143 0.000 1.394 399 H HN 0.829 nan 8.280 nan 0.000 0.477 400 G N 0.346 109.314 108.800 0.280 0.000 2.600 400 G HA2 0.466 4.426 3.960 -0.000 0.000 0.293 400 G HA3 0.466 4.426 3.960 -0.000 0.000 0.293 400 G C -0.880 173.940 174.900 -0.133 0.000 1.408 400 G CA -0.188 44.999 45.100 0.144 0.000 0.782 400 G HN 0.629 nan 8.290 nan 0.000 0.482 401 A N -0.638 121.794 122.820 -0.646 0.000 2.429 401 A HA 0.176 4.496 4.320 -0.000 0.000 0.290 401 A C 0.599 177.923 177.584 -0.434 0.000 1.439 401 A CA 1.359 52.920 52.037 -0.793 0.000 0.731 401 A CB -2.022 16.793 19.000 -0.308 0.000 1.138 401 A HN 2.394 nan 8.150 nan 0.000 0.384 402 T N 2.752 117.031 114.554 -0.458 0.000 2.779 402 T HA 0.505 4.855 4.350 -0.000 0.000 0.296 402 T C -1.571 172.992 174.700 -0.229 0.000 0.938 402 T CA -1.097 60.855 62.100 -0.247 0.000 1.119 402 T CB 0.386 69.134 68.868 -0.201 0.000 0.891 402 T HN 0.589 nan 8.240 nan 0.000 0.526 403 P HA 0.118 nan 4.420 nan 0.000 0.267 403 P C -0.568 176.703 177.300 -0.048 0.000 1.205 403 P CA -0.212 62.834 63.100 -0.090 0.000 0.765 403 P CB 0.619 32.291 31.700 -0.046 0.000 0.828 404 V N 6.580 126.462 119.914 -0.054 0.000 2.439 404 V HA 0.243 4.363 4.120 -0.000 0.000 0.282 404 V C -1.594 174.553 176.094 0.088 0.000 1.039 404 V CA -1.911 60.406 62.300 0.029 0.000 0.913 404 V CB 0.875 32.644 31.823 -0.091 0.000 0.983 404 V HN 0.584 nan 8.190 nan 0.000 0.460 405 P HA 0.024 nan 4.420 nan 0.000 0.266 405 P C 0.423 177.783 177.300 0.101 0.000 1.193 405 P CA -0.210 62.954 63.100 0.106 0.000 0.770 405 P CB 0.475 32.224 31.700 0.081 0.000 0.836 406 R N 1.876 122.388 120.500 0.019 0.000 2.339 406 R HA -0.080 4.260 4.340 -0.000 0.000 0.199 406 R C 1.241 177.522 176.300 -0.031 0.000 1.018 406 R CA 0.883 56.980 56.100 -0.006 0.000 1.036 406 R CB -0.593 29.696 30.300 -0.018 0.000 0.899 406 R HN 0.500 nan 8.270 nan 0.000 0.473 407 E N -0.267 119.884 120.200 -0.083 0.000 2.418 407 E HA -0.179 4.171 4.350 -0.000 0.000 0.197 407 E C 0.522 176.986 176.600 -0.227 0.000 1.026 407 E CA 0.784 57.072 56.400 -0.186 0.000 0.862 407 E CB -0.221 29.296 29.700 -0.304 0.000 0.799 407 E HN 0.521 nan 8.360 nan 0.000 0.518 408 Y N 0.851 121.120 120.300 -0.052 0.000 2.497 408 Y HA 0.354 4.904 4.550 -0.000 0.000 0.265 408 Y C 1.140 176.942 175.900 -0.164 0.000 1.111 408 Y CA 0.573 58.637 58.100 -0.061 0.000 1.288 408 Y CB 1.426 39.837 38.460 -0.083 0.000 1.082 408 Y HN 0.212 nan 8.280 nan 0.000 0.536 409 G N -0.324 108.454 108.800 -0.036 0.000 2.353 409 G HA2 0.087 4.047 3.960 -0.000 0.000 0.308 409 G HA3 0.087 4.047 3.960 -0.000 0.000 0.308 409 G C -1.677 173.162 174.900 -0.101 0.000 1.418 409 G CA -1.183 43.858 45.100 -0.099 0.000 0.966 409 G HN -0.208 nan 8.290 nan 0.000 0.638 410 E N 0.571 120.736 120.200 -0.060 0.000 2.313 410 E HA 0.378 4.728 4.350 -0.000 0.000 0.272 410 E C 0.373 176.942 176.600 -0.053 0.000 1.038 410 E CA -0.596 55.779 56.400 -0.041 0.000 0.863 410 E CB 0.780 30.475 29.700 -0.009 0.000 1.060 410 E HN 0.537 nan 8.360 nan 0.000 0.402 411 N N 0.479 119.154 118.700 -0.042 0.000 2.721 411 N HA -0.202 4.537 4.740 -0.000 0.000 0.249 411 N C -1.005 174.474 175.510 -0.053 0.000 1.072 411 N CA 0.589 53.619 53.050 -0.034 0.000 0.710 411 N CB -1.352 37.130 38.487 -0.009 0.000 0.993 411 N HN 0.393 nan 8.380 nan 0.000 0.547 412 L N -0.467 120.692 121.223 -0.105 0.000 2.307 412 L HA 0.717 5.056 4.340 -0.000 0.000 0.282 412 L C 0.620 177.413 176.870 -0.128 0.000 1.051 412 L CA -0.699 54.051 54.840 -0.151 0.000 0.804 412 L CB 1.477 43.346 42.059 -0.317 0.000 1.197 412 L HN 0.204 nan 8.230 nan 0.000 0.431 413 A N 4.495 127.249 122.820 -0.109 0.000 2.374 413 A HA 0.683 5.002 4.320 -0.000 0.000 0.305 413 A C -0.940 176.455 177.584 -0.315 0.000 1.053 413 A CA -0.507 51.398 52.037 -0.219 0.000 0.726 413 A CB 1.352 20.229 19.000 -0.204 0.000 1.229 413 A HN 0.648 nan 8.150 nan 0.000 0.431 414 L N 1.634 122.568 121.223 -0.482 0.000 2.357 414 L HA 0.627 4.967 4.340 -0.000 0.000 0.273 414 L C -1.188 175.213 176.870 -0.782 0.000 1.080 414 L CA -0.236 54.293 54.840 -0.518 0.000 0.803 414 L CB 1.128 42.887 42.059 -0.500 0.000 1.174 414 L HN 0.725 nan 8.230 nan 0.000 0.443 415 F N 1.469 121.035 119.950 -0.640 0.000 2.565 415 F HA 0.708 5.235 4.527 -0.000 0.000 0.313 415 F C 0.068 175.509 175.800 -0.599 0.000 1.091 415 F CA -0.552 57.059 58.000 -0.648 0.000 0.915 415 F CB 2.066 40.501 39.000 -0.941 0.000 1.208 415 F HN 0.387 nan 8.300 nan 0.000 0.453 416 A N 1.548 124.349 122.820 -0.032 0.000 2.475 416 A HA 0.975 5.295 4.320 -0.000 0.000 0.301 416 A C -1.593 176.141 177.584 0.249 0.000 1.059 416 A CA -0.589 51.488 52.037 0.067 0.000 0.710 416 A CB 1.520 20.543 19.000 0.037 0.000 1.288 416 A HN 1.102 nan 8.150 nan 0.000 0.408 417 A N 0.551 123.541 122.820 0.282 0.000 2.454 417 A HA 0.963 5.283 4.320 -0.000 0.000 0.302 417 A C 0.020 177.779 177.584 0.293 0.000 1.079 417 A CA 0.104 52.394 52.037 0.423 0.000 0.731 417 A CB 1.405 20.638 19.000 0.388 0.000 1.299 417 A HN 2.089 nan 8.150 nan 0.000 0.413 418 T N -1.946 112.769 114.554 0.268 0.000 2.742 418 T HA 0.499 4.849 4.350 -0.000 0.000 0.282 418 T C 0.728 175.455 174.700 0.045 0.000 1.025 418 T CA 0.230 62.331 62.100 0.001 0.000 1.020 418 T CB 1.184 69.830 68.868 -0.370 0.000 1.317 418 T HN 0.732 nan 8.240 nan 0.000 0.538 419 E N 0.824 121.074 120.200 0.085 0.000 2.409 419 E HA -0.087 4.262 4.350 -0.000 0.000 0.198 419 E C 1.461 178.072 176.600 0.018 0.000 1.024 419 E CA 0.999 57.447 56.400 0.081 0.000 0.861 419 E CB -0.644 29.132 29.700 0.126 0.000 0.788 419 E HN 0.671 nan 8.360 nan 0.000 0.521 420 L N -1.649 119.521 121.223 -0.087 0.000 2.628 420 L HA 0.405 4.745 4.340 -0.000 0.000 0.229 420 L C 0.294 177.081 176.870 -0.140 0.000 1.137 420 L CA -0.381 54.386 54.840 -0.121 0.000 0.909 420 L CB -0.990 40.978 42.059 -0.151 0.000 1.137 420 L HN -0.119 nan 8.230 nan 0.000 0.470 421 H N 0.581 119.640 119.070 -0.018 0.000 2.487 421 H HA 0.592 5.148 4.556 -0.000 0.000 0.333 421 H C -0.342 175.026 175.328 0.068 0.000 1.114 421 H CA -0.449 55.606 56.048 0.012 0.000 1.310 421 H CB 1.171 30.966 29.762 0.056 0.000 1.462 421 H HN 0.300 nan 8.280 nan 0.000 0.516 422 E N 1.293 121.633 120.200 0.234 0.000 2.378 422 E HA 0.031 4.380 4.350 -0.000 0.000 0.265 422 E C 0.492 177.185 176.600 0.157 0.000 0.932 422 E CA -0.694 55.801 56.400 0.157 0.000 0.795 422 E CB 2.038 31.805 29.700 0.112 0.000 1.296 422 E HN 0.612 nan 8.360 nan 0.000 0.438 423 E N 1.476 121.743 120.200 0.112 0.000 2.108 423 E HA -0.304 4.046 4.350 -0.000 0.000 0.203 423 E C 1.646 178.304 176.600 0.097 0.000 1.022 423 E CA 2.148 58.603 56.400 0.092 0.000 0.823 423 E CB 0.042 29.781 29.700 0.064 0.000 0.744 423 E HN 0.603 nan 8.360 nan 0.000 0.456 424 E N -0.525 119.735 120.200 0.099 0.000 2.153 424 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 424 E C 1.313 178.002 176.600 0.148 0.000 0.988 424 E CA 1.384 57.846 56.400 0.103 0.000 0.811 424 E CB -0.023 29.732 29.700 0.091 0.000 0.746 424 E HN 0.382 nan 8.360 nan 0.000 0.466 425 D N 0.307 120.827 120.400 0.200 0.000 2.149 425 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 425 D C 2.140 178.645 176.300 0.342 0.000 0.972 425 D CA 0.735 54.924 54.000 0.315 0.000 0.835 425 D CB -0.030 40.995 40.800 0.374 0.000 0.966 425 D HN 0.311 nan 8.370 nan 0.000 0.476 426 L N 0.236 121.585 121.223 0.210 0.000 2.027 426 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 426 L C 2.426 179.265 176.870 -0.052 0.000 1.074 426 L CA 0.522 55.376 54.840 0.023 0.000 0.745 426 L CB -0.504 41.574 42.059 0.031 0.000 0.898 426 L HN 0.020 nan 8.230 nan 0.000 0.433 427 L N 0.505 121.735 121.223 0.011 0.000 2.042 427 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 427 L C 2.857 179.717 176.870 -0.018 0.000 1.076 427 L CA 2.070 56.901 54.840 -0.015 0.000 0.749 427 L CB -1.346 40.724 42.059 0.017 0.000 0.893 427 L HN 0.199 nan 8.230 nan 0.000 0.432 428 A N -0.784 122.082 122.820 0.078 0.000 1.865 428 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 428 A C 2.302 179.833 177.584 -0.089 0.000 1.191 428 A CA 2.048 54.178 52.037 0.155 0.000 0.623 428 A CB -1.013 18.233 19.000 0.411 0.000 0.826 428 A HN 0.368 nan 8.150 nan 0.000 0.444 429 L N -0.215 120.943 121.223 -0.109 0.000 2.012 429 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 429 L C 2.499 179.075 176.870 -0.489 0.000 1.073 429 L CA 2.540 57.074 54.840 -0.509 0.000 0.748 429 L CB -0.562 41.120 42.059 -0.628 0.000 0.891 429 L HN 0.474 nan 8.230 nan 0.000 0.431 430 R N -0.784 119.512 120.500 -0.340 0.000 2.083 430 R HA -0.183 4.157 4.340 -0.000 0.000 0.237 430 R C 2.209 178.366 176.300 -0.239 0.000 1.137 430 R CA 1.513 57.446 56.100 -0.279 0.000 0.951 430 R CB -0.228 29.946 30.300 -0.210 0.000 0.851 430 R HN 0.402 nan 8.270 nan 0.000 0.434 431 E N 0.499 120.576 120.200 -0.205 0.000 2.033 431 E HA -0.228 4.122 4.350 -0.000 0.000 0.199 431 E C 1.884 178.357 176.600 -0.211 0.000 1.011 431 E CA 1.649 57.953 56.400 -0.160 0.000 0.815 431 E CB -0.533 29.105 29.700 -0.104 0.000 0.755 431 E HN 0.458 nan 8.360 nan 0.000 0.451 432 A N 1.178 123.782 122.820 -0.361 0.000 1.903 432 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 432 A C 2.316 179.737 177.584 -0.272 0.000 1.191 432 A CA 1.951 53.743 52.037 -0.409 0.000 0.638 432 A CB -0.842 17.587 19.000 -0.951 0.000 0.823 432 A HN 0.293 nan 8.150 nan 0.000 0.451 433 L N -0.199 120.858 121.223 -0.278 0.000 2.046 433 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 433 L C 2.274 179.069 176.870 -0.124 0.000 1.077 433 L CA 2.696 57.435 54.840 -0.168 0.000 0.747 433 L CB -0.614 41.341 42.059 -0.172 0.000 0.896 433 L HN 0.478 nan 8.230 nan 0.000 0.432 434 K N -0.358 119.960 120.400 -0.136 0.000 2.020 434 K HA -0.238 4.081 4.320 -0.000 0.000 0.212 434 K C 1.977 178.532 176.600 -0.075 0.000 1.050 434 K CA 2.199 58.426 56.287 -0.100 0.000 0.929 434 K CB -0.190 32.251 32.500 -0.099 0.000 0.714 434 K HN 0.506 nan 8.250 nan 0.000 0.443 435 E N -0.126 120.027 120.200 -0.079 0.000 2.204 435 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 435 E C 1.903 178.477 176.600 -0.044 0.000 0.989 435 E CA 0.879 57.246 56.400 -0.054 0.000 0.824 435 E CB 0.190 29.860 29.700 -0.049 0.000 0.756 435 E HN 0.125 nan 8.360 nan 0.000 0.477 436 V N 1.057 120.939 119.914 -0.054 0.000 2.453 436 V HA -0.144 3.976 4.120 -0.000 0.000 0.247 436 V C 1.126 177.205 176.094 -0.026 0.000 1.048 436 V CA 0.908 63.187 62.300 -0.035 0.000 1.049 436 V CB -0.174 31.627 31.823 -0.036 0.000 0.672 436 V HN 0.087 nan 8.190 nan 0.000 0.457 437 L N 0.000 121.203 121.223 -0.033 0.000 2.949 437 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 437 L CA 0.000 54.825 54.840 -0.025 0.000 0.813 437 L CB 0.000 42.041 42.059 -0.030 0.000 0.961 437 L HN 0.000 nan 8.230 nan 0.000 0.502