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 2nn3_1_C DATA FIRST_RESID 46 DATA SEQUENCE VDRNAPYYNM NHKHRGMAII FNHEHFDIHS LKSRTGTNVD SDNLSKVLKT DATA SEQUENCE LGFKVTVFPN LKSEEINKFI QQTAEMDHSD ADCLLVAVLT AGELGMLYAK DATA SEQUENCE DTHYKPDNLW YYFTADKCPT LAGKPKLFFI QACQGDRLDG GIXXXXXXXX DATA SEQUENCE XXXXXSYRIP VHADFLIAFS TVPGYFSWRN TTRGSWFMQA LCEELRYAGT DATA SEQUENCE ERDILTLLTF VCQKVALDFE SNAPDSAMMH QQKQVPCITS MLTRLLVF 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 46 V HA 0.000 nan 4.120 nan 0.000 0.244 46 V C 0.000 176.096 176.094 0.003 0.000 1.182 46 V CA 0.000 62.305 62.300 0.008 0.000 1.235 46 V CB 0.000 31.834 31.823 0.018 0.000 1.184 47 D N -0.903 119.498 120.400 0.001 0.000 2.599 47 D HA 0.478 5.119 4.640 0.002 0.000 0.252 47 D C -0.037 176.257 176.300 -0.011 0.000 1.232 47 D CA -0.585 53.411 54.000 -0.007 0.000 0.819 47 D CB 2.263 43.055 40.800 -0.013 0.000 1.401 47 D HN 0.253 nan 8.370 nan 0.000 0.429 48 R N 0.256 120.747 120.500 -0.015 0.000 2.161 48 R HA 0.015 4.356 4.340 0.002 0.000 0.213 48 R C 0.736 177.012 176.300 -0.040 0.000 1.055 48 R CA 0.571 56.659 56.100 -0.020 0.000 0.996 48 R CB 0.071 30.363 30.300 -0.014 0.000 0.901 48 R HN 0.342 nan 8.270 nan 0.000 0.456 49 N N 0.764 119.440 118.700 -0.040 0.000 2.920 49 N HA 0.111 4.853 4.740 0.002 0.000 0.310 49 N C -0.865 174.606 175.510 -0.065 0.000 1.384 49 N CA -0.127 52.889 53.050 -0.057 0.000 1.083 49 N CB 0.735 39.195 38.487 -0.045 0.000 1.389 49 N HN -0.067 nan 8.380 nan 0.000 0.521 50 A N 1.058 123.834 122.820 -0.073 0.000 2.327 50 A HA 0.511 4.833 4.320 0.002 0.000 0.283 50 A C -1.265 176.233 177.584 -0.144 0.000 1.127 50 A CA -1.273 50.723 52.037 -0.069 0.000 0.810 50 A CB 0.717 19.701 19.000 -0.027 0.000 1.066 50 A HN 0.133 nan 8.150 nan 0.000 0.492 51 P HA -0.055 nan 4.420 nan 0.000 0.220 51 P C -0.547 176.386 177.300 -0.612 0.000 1.148 51 P CA 1.373 64.233 63.100 -0.400 0.000 0.803 51 P CB -0.023 31.411 31.700 -0.443 0.000 0.782 52 Y N -3.521 116.715 120.300 -0.107 0.000 2.549 52 Y HA 0.434 4.985 4.550 0.002 0.000 0.339 52 Y C 0.274 176.099 175.900 -0.125 0.000 1.053 52 Y CA -1.280 56.763 58.100 -0.094 0.000 1.105 52 Y CB 0.672 39.122 38.460 -0.018 0.000 1.258 52 Y HN -0.268 nan 8.280 nan 0.000 0.478 53 Y N 1.076 121.468 120.300 0.154 0.000 2.319 53 Y HA 0.086 4.638 4.550 0.002 0.000 0.328 53 Y C 0.583 176.543 175.900 0.100 0.000 1.133 53 Y CA -0.714 57.437 58.100 0.084 0.000 1.265 53 Y CB 0.451 38.928 38.460 0.028 0.000 1.218 53 Y HN 0.504 nan 8.280 nan 0.000 0.508 54 N N 4.191 123.062 118.700 0.286 0.000 2.400 54 N HA -0.018 4.724 4.740 0.002 0.000 0.278 54 N C -0.962 174.686 175.510 0.231 0.000 1.247 54 N CA 0.231 53.431 53.050 0.250 0.000 0.970 54 N CB 0.067 38.723 38.487 0.281 0.000 1.312 54 N HN 0.429 nan 8.380 nan 0.000 0.488 55 M N 3.661 123.345 119.600 0.139 0.000 3.145 55 M HA 0.212 4.694 4.480 0.002 0.000 0.254 55 M C -0.527 175.812 176.300 0.066 0.000 1.264 55 M CA -0.176 55.157 55.300 0.054 0.000 1.293 55 M CB -0.889 31.739 32.600 0.046 0.000 1.170 55 M HN 0.538 nan 8.290 nan 0.000 0.572 56 N N 0.526 119.321 118.700 0.158 0.000 3.506 56 N HA 0.122 4.863 4.740 0.002 0.000 0.174 56 N C -1.336 174.343 175.510 0.282 0.000 1.488 56 N CA -0.404 52.729 53.050 0.139 0.000 0.834 56 N CB -0.251 38.281 38.487 0.074 0.000 1.677 56 N HN 0.512 nan 8.380 nan 0.000 0.654 57 H N 0.396 119.443 119.070 -0.037 0.000 2.595 57 H HA 0.352 4.909 4.556 0.002 0.000 0.346 57 H C 0.802 176.049 175.328 -0.135 0.000 1.181 57 H CA -1.011 54.995 56.048 -0.070 0.000 1.242 57 H CB 2.328 32.058 29.762 -0.054 0.000 1.652 57 H HN 0.028 nan 8.280 nan 0.000 0.548 58 K N 0.031 120.368 120.400 -0.105 0.000 2.128 58 K HA -0.243 4.078 4.320 0.002 0.000 0.220 58 K C 0.099 176.499 176.600 -0.333 0.000 1.049 58 K CA 1.814 57.890 56.287 -0.353 0.000 0.948 58 K CB -0.207 31.841 32.500 -0.753 0.000 0.742 58 K HN 0.547 nan 8.250 nan 0.000 0.465 59 H N -2.463 116.622 119.070 0.025 0.000 2.834 59 H HA 0.186 4.744 4.556 0.002 0.000 0.369 59 H C 0.687 175.969 175.328 -0.078 0.000 1.174 59 H CA -0.724 55.310 56.048 -0.024 0.000 1.165 59 H CB 1.673 31.430 29.762 -0.009 0.000 1.820 59 H HN -0.053 nan 8.280 nan 0.000 0.558 60 R N 0.931 121.419 120.500 -0.021 0.000 2.055 60 R HA 0.195 4.537 4.340 0.002 0.000 0.226 60 R C 0.275 176.483 176.300 -0.154 0.000 1.135 60 R CA 1.347 57.316 56.100 -0.219 0.000 0.959 60 R CB 0.065 30.075 30.300 -0.485 0.000 0.854 60 R HN 0.950 nan 8.270 nan 0.000 0.431 61 G N -1.158 107.637 108.800 -0.007 0.000 2.339 61 G HA2 0.062 4.023 3.960 0.002 0.000 0.381 61 G HA3 0.062 4.023 3.960 0.002 0.000 0.381 61 G C -1.211 173.876 174.900 0.311 0.000 1.400 61 G CA -0.587 44.611 45.100 0.163 0.000 1.002 61 G HN 0.117 nan 8.290 nan 0.000 0.633 62 M N 0.840 120.613 119.600 0.289 0.000 2.180 62 M HA 0.583 5.065 4.480 0.002 0.000 0.358 62 M C 0.571 176.967 176.300 0.160 0.000 1.233 62 M CA -0.201 55.232 55.300 0.221 0.000 1.114 62 M CB 1.591 34.307 32.600 0.192 0.000 1.594 62 M HN 1.031 nan 8.290 nan 0.000 0.467 63 A N 5.289 128.120 122.820 0.019 0.000 2.288 63 A HA 0.799 5.120 4.320 0.002 0.000 0.320 63 A C -0.570 176.931 177.584 -0.138 0.000 1.217 63 A CA -0.773 51.122 52.037 -0.236 0.000 0.840 63 A CB 0.458 19.107 19.000 -0.585 0.000 1.179 63 A HN 0.969 nan 8.150 nan 0.000 0.504 64 I N 0.754 121.253 120.570 -0.119 0.000 2.418 64 I HA 0.704 4.876 4.170 0.002 0.000 0.287 64 I C -1.435 174.540 176.117 -0.237 0.000 1.008 64 I CA -0.789 60.437 61.300 -0.125 0.000 1.104 64 I CB 1.445 39.441 38.000 -0.007 0.000 1.264 64 I HN 0.456 nan 8.210 nan 0.000 0.438 65 I N 6.759 127.160 120.570 -0.281 0.000 2.362 65 I HA 0.372 4.543 4.170 0.002 0.000 0.289 65 I C -0.975 174.961 176.117 -0.301 0.000 0.994 65 I CA -0.406 60.764 61.300 -0.216 0.000 1.158 65 I CB 1.424 39.332 38.000 -0.154 0.000 1.315 65 I HN 0.484 nan 8.210 nan 0.000 0.451 66 F N 5.190 125.185 119.950 0.075 0.000 2.391 66 F HA 0.334 4.862 4.527 0.003 0.000 0.359 66 F C 0.546 176.240 175.800 -0.176 0.000 1.122 66 F CA -0.407 57.585 58.000 -0.013 0.000 1.120 66 F CB 0.766 39.810 39.000 0.073 0.000 1.142 66 F HN 0.447 nan 8.300 nan 0.000 0.483 67 N N 3.512 122.092 118.700 -0.200 0.000 2.483 67 N HA 0.219 4.960 4.740 0.002 0.000 0.267 67 N C -1.469 173.824 175.510 -0.362 0.000 0.998 67 N CA -0.577 52.344 53.050 -0.214 0.000 0.918 67 N CB 0.588 39.011 38.487 -0.107 0.000 1.215 67 N HN 0.619 nan 8.380 nan 0.000 0.500 68 H N 2.254 121.367 119.070 0.071 0.000 2.511 68 H HA 0.113 4.670 4.556 0.003 0.000 0.328 68 H C 0.161 175.352 175.328 -0.229 0.000 1.044 68 H CA -0.361 55.646 56.048 -0.068 0.000 1.212 68 H CB 2.387 32.166 29.762 0.028 0.000 1.428 68 H HN 0.750 nan 8.280 nan 0.000 0.483 69 E N 2.380 122.403 120.200 -0.295 0.000 2.306 69 E HA 0.023 4.375 4.350 0.002 0.000 0.201 69 E C -0.297 175.835 176.600 -0.780 0.000 0.874 69 E CA 0.104 56.226 56.400 -0.464 0.000 0.972 69 E CB 0.877 30.294 29.700 -0.471 0.000 0.957 69 E HN 0.542 nan 8.360 nan 0.000 0.492 70 H N -0.774 118.000 119.070 -0.494 0.000 2.569 70 H HA 0.328 4.885 4.556 0.003 0.000 0.357 70 H C -1.279 173.673 175.328 -0.626 0.000 1.153 70 H CA -0.481 55.315 56.048 -0.420 0.000 1.193 70 H CB 1.153 30.822 29.762 -0.154 0.000 1.602 70 H HN -0.001 nan 8.280 nan 0.000 0.523 71 F N 0.754 120.793 119.950 0.150 0.000 2.499 71 F HA 0.134 4.663 4.527 0.002 0.000 0.333 71 F C 0.543 176.378 175.800 0.058 0.000 1.138 71 F CA -0.915 57.121 58.000 0.060 0.000 0.945 71 F CB 1.387 40.352 39.000 -0.057 0.000 1.181 71 F HN 0.359 nan 8.300 nan 0.000 0.435 72 D N 4.247 124.773 120.400 0.210 0.000 2.826 72 D HA 0.151 4.793 4.640 0.002 0.000 0.247 72 D C -0.112 176.288 176.300 0.167 0.000 1.238 72 D CA 0.807 54.895 54.000 0.146 0.000 0.894 72 D CB -0.191 40.669 40.800 0.100 0.000 1.100 72 D HN 0.323 nan 8.370 nan 0.000 0.453 73 I N 1.857 122.555 120.570 0.214 0.000 2.476 73 I HA 0.018 4.189 4.170 0.002 0.000 0.281 73 I C -0.098 176.195 176.117 0.294 0.000 1.040 73 I CA -1.146 60.327 61.300 0.289 0.000 1.094 73 I CB 1.136 39.162 38.000 0.043 0.000 1.219 73 I HN 0.039 nan 8.210 nan 0.000 0.450 74 H N 5.019 124.096 119.070 0.010 0.000 3.209 74 H HA -0.090 4.467 4.556 0.002 0.000 0.297 74 H C 1.010 176.329 175.328 -0.014 0.000 0.936 74 H CA 0.575 56.628 56.048 0.008 0.000 1.392 74 H CB -0.143 29.624 29.762 0.010 0.000 1.349 74 H HN 0.929 nan 8.280 nan 0.000 0.568 75 S N 0.280 116.004 115.700 0.039 0.000 2.929 75 S HA -0.236 4.235 4.470 0.002 0.000 0.271 75 S C 0.083 174.623 174.600 -0.100 0.000 1.295 75 S CA 0.663 58.837 58.200 -0.043 0.000 1.277 75 S CB -2.117 61.028 63.200 -0.092 0.000 1.557 75 S HN 0.727 nan 8.310 nan 0.000 0.666 76 L N 1.731 122.876 121.223 -0.131 0.000 2.283 76 L HA 0.484 4.826 4.340 0.002 0.000 0.287 76 L C 0.511 177.350 176.870 -0.052 0.000 1.073 76 L CA -0.663 54.043 54.840 -0.223 0.000 0.822 76 L CB 0.467 42.217 42.059 -0.515 0.000 1.186 76 L HN 0.186 nan 8.230 nan 0.000 0.436 77 K N 2.528 122.912 120.400 -0.027 0.000 2.527 77 K HA -0.015 4.307 4.320 0.002 0.000 0.278 77 K C 0.200 176.909 176.600 0.181 0.000 0.981 77 K CA 0.361 56.687 56.287 0.065 0.000 1.009 77 K CB 0.635 33.157 32.500 0.036 0.000 0.895 77 K HN 0.548 nan 8.250 nan 0.000 0.493 78 S N 2.480 118.291 115.700 0.184 0.000 2.572 78 S HA 0.090 4.561 4.470 0.002 0.000 0.279 78 S C -0.255 174.399 174.600 0.091 0.000 1.341 78 S CA -0.396 57.902 58.200 0.164 0.000 1.043 78 S CB 0.364 63.628 63.200 0.107 0.000 0.887 78 S HN 0.406 nan 8.310 nan 0.000 0.516 79 R N 3.579 124.094 120.500 0.025 0.000 2.287 79 R HA 0.207 4.549 4.340 0.002 0.000 0.327 79 R C -0.443 175.787 176.300 -0.116 0.000 1.109 79 R CA -0.223 55.878 56.100 0.003 0.000 1.013 79 R CB 0.539 30.901 30.300 0.103 0.000 1.126 79 R HN 0.574 nan 8.270 nan 0.000 0.503 80 T N 0.648 115.134 114.554 -0.114 0.000 2.817 80 T HA 0.276 4.627 4.350 0.002 0.000 0.293 80 T C 1.149 175.781 174.700 -0.114 0.000 0.964 80 T CA 0.252 62.286 62.100 -0.110 0.000 1.085 80 T CB 1.487 70.313 68.868 -0.070 0.000 0.921 80 T HN 0.840 nan 8.240 nan 0.000 0.502 81 G N 2.487 111.242 108.800 -0.075 0.000 2.160 81 G HA2 -0.313 3.648 3.960 0.002 0.000 0.251 81 G HA3 -0.313 3.648 3.960 0.002 0.000 0.251 81 G C 1.008 175.884 174.900 -0.039 0.000 1.008 81 G CA 0.553 45.625 45.100 -0.046 0.000 0.724 81 G HN 0.794 nan 8.290 nan 0.000 0.514 82 T N -0.457 114.067 114.554 -0.050 0.000 2.962 82 T HA -0.080 4.271 4.350 0.002 0.000 0.270 82 T C 2.329 177.019 174.700 -0.018 0.000 1.088 82 T CA 2.055 64.147 62.100 -0.013 0.000 1.127 82 T CB -0.227 68.633 68.868 -0.012 0.000 0.883 82 T HN 0.436 nan 8.240 nan 0.000 0.493 83 N N 0.466 119.143 118.700 -0.038 0.000 2.270 83 N HA 0.005 4.746 4.740 0.002 0.000 0.181 83 N C 1.780 177.267 175.510 -0.038 0.000 1.016 83 N CA 0.613 53.637 53.050 -0.043 0.000 0.870 83 N CB -0.465 37.995 38.487 -0.045 0.000 0.979 83 N HN 0.220 nan 8.380 nan 0.000 0.431 84 V N 1.471 121.370 119.914 -0.025 0.000 2.237 84 V HA -0.232 3.889 4.120 0.002 0.000 0.245 84 V C 1.646 177.729 176.094 -0.019 0.000 1.046 84 V CA 1.748 64.034 62.300 -0.023 0.000 1.007 84 V CB -0.487 31.335 31.823 -0.001 0.000 0.638 84 V HN 0.249 nan 8.190 nan 0.000 0.445 85 D N -0.093 120.314 120.400 0.012 0.000 2.103 85 D HA -0.200 4.441 4.640 0.002 0.000 0.190 85 D C 2.418 178.698 176.300 -0.032 0.000 0.997 85 D CA 2.038 56.045 54.000 0.012 0.000 0.833 85 D CB -0.574 40.264 40.800 0.064 0.000 0.961 85 D HN 0.443 nan 8.370 nan 0.000 0.447 86 S N 0.435 116.115 115.700 -0.034 0.000 2.359 86 S HA -0.271 4.200 4.470 0.002 0.000 0.223 86 S C 1.967 176.516 174.600 -0.086 0.000 1.039 86 S CA 2.816 60.979 58.200 -0.062 0.000 1.042 86 S CB -0.729 62.434 63.200 -0.061 0.000 0.915 86 S HN 0.384 nan 8.310 nan 0.000 0.439 87 D N 0.797 121.150 120.400 -0.078 0.000 2.224 87 D HA -0.040 4.601 4.640 0.002 0.000 0.205 87 D C 1.819 178.064 176.300 -0.091 0.000 0.965 87 D CA 1.340 55.288 54.000 -0.087 0.000 0.852 87 D CB -1.144 39.609 40.800 -0.078 0.000 0.947 87 D HN 0.632 nan 8.370 nan 0.000 0.494 88 N N -0.164 118.485 118.700 -0.085 0.000 2.106 88 N HA -0.071 4.671 4.740 0.002 0.000 0.188 88 N C 1.737 177.178 175.510 -0.114 0.000 1.029 88 N CA 1.232 54.226 53.050 -0.093 0.000 0.848 88 N CB -0.398 38.040 38.487 -0.081 0.000 1.007 88 N HN 0.318 nan 8.380 nan 0.000 0.423 89 L N 0.692 121.838 121.223 -0.128 0.000 1.989 89 L HA -0.084 4.257 4.340 0.002 0.000 0.211 89 L C 2.539 179.308 176.870 -0.167 0.000 1.071 89 L CA 2.105 56.843 54.840 -0.170 0.000 0.749 89 L CB -1.605 40.343 42.059 -0.183 0.000 0.890 89 L HN 0.351 nan 8.230 nan 0.000 0.431 90 S N -0.795 114.817 115.700 -0.146 0.000 2.359 90 S HA -0.332 4.139 4.470 0.002 0.000 0.223 90 S C 2.206 176.733 174.600 -0.122 0.000 1.039 90 S CA 1.948 60.063 58.200 -0.142 0.000 1.042 90 S CB -0.454 62.666 63.200 -0.134 0.000 0.915 90 S HN 0.498 nan 8.310 nan 0.000 0.439 91 K N 0.048 120.382 120.400 -0.109 0.000 2.013 91 K HA -0.182 4.139 4.320 0.002 0.000 0.225 91 K C 2.106 178.650 176.600 -0.093 0.000 1.056 91 K CA 2.331 58.561 56.287 -0.095 0.000 0.971 91 K CB -1.007 31.439 32.500 -0.091 0.000 0.731 91 K HN 0.364 nan 8.250 nan 0.000 0.450 92 V N 1.443 121.293 119.914 -0.107 0.000 2.343 92 V HA -0.204 3.917 4.120 0.002 0.000 0.247 92 V C 2.087 178.121 176.094 -0.100 0.000 1.051 92 V CA 1.685 63.922 62.300 -0.105 0.000 1.036 92 V CB -0.244 31.508 31.823 -0.118 0.000 0.654 92 V HN 0.376 nan 8.190 nan 0.000 0.451 93 L N 0.294 121.447 121.223 -0.117 0.000 2.191 93 L HA -0.130 4.211 4.340 0.002 0.000 0.212 93 L C 3.024 179.931 176.870 0.062 0.000 1.103 93 L CA 1.899 56.709 54.840 -0.049 0.000 0.769 93 L CB -1.099 40.822 42.059 -0.229 0.000 0.908 93 L HN 0.526 nan 8.230 nan 0.000 0.438 94 K N 0.400 120.789 120.400 -0.018 0.000 2.002 94 K HA -0.224 4.098 4.320 0.002 0.000 0.209 94 K C 2.142 178.721 176.600 -0.035 0.000 1.048 94 K CA 2.102 58.378 56.287 -0.019 0.000 0.930 94 K CB -1.828 30.644 32.500 -0.047 0.000 0.714 94 K HN 0.520 nan 8.250 nan 0.000 0.438 95 T N -0.983 113.540 114.554 -0.051 0.000 3.007 95 T HA 0.022 4.374 4.350 0.002 0.000 0.270 95 T C 1.830 176.485 174.700 -0.076 0.000 1.107 95 T CA 1.184 63.249 62.100 -0.058 0.000 1.118 95 T CB -0.250 68.583 68.868 -0.058 0.000 0.889 95 T HN 0.338 nan 8.240 nan 0.000 0.506 96 L N 0.031 121.197 121.223 -0.094 0.000 2.558 96 L HA 0.350 4.692 4.340 0.002 0.000 0.225 96 L C 2.102 178.830 176.870 -0.237 0.000 1.128 96 L CA 0.631 55.363 54.840 -0.179 0.000 0.868 96 L CB -0.210 41.679 42.059 -0.284 0.000 1.006 96 L HN 0.654 nan 8.230 nan 0.000 0.454 97 G N -0.754 107.956 108.800 -0.151 0.000 2.184 97 G HA2 -0.255 3.707 3.960 0.002 0.000 0.206 97 G HA3 -0.255 3.707 3.960 0.002 0.000 0.206 97 G C 0.137 174.941 174.900 -0.160 0.000 0.995 97 G CA -0.621 44.383 45.100 -0.160 0.000 0.651 97 G HN 0.121 nan 8.290 nan 0.000 0.511 98 F N 1.143 121.027 119.950 -0.111 0.000 2.459 98 F HA 0.497 5.026 4.527 0.003 0.000 0.346 98 F C 1.137 176.887 175.800 -0.083 0.000 1.128 98 F CA -0.182 57.764 58.000 -0.090 0.000 1.268 98 F CB 0.847 39.776 39.000 -0.119 0.000 1.161 98 F HN -0.246 nan 8.300 nan 0.000 0.583 99 K N 3.523 124.009 120.400 0.143 0.000 2.231 99 K HA 0.282 4.604 4.320 0.002 0.000 0.275 99 K C -0.988 175.626 176.600 0.022 0.000 1.105 99 K CA -0.141 56.169 56.287 0.039 0.000 0.931 99 K CB 0.412 32.911 32.500 -0.002 0.000 1.296 99 K HN 0.372 nan 8.250 nan 0.000 0.446 100 V N 3.007 122.904 119.914 -0.027 0.000 2.686 100 V HA 0.311 4.432 4.120 0.002 0.000 0.295 100 V C 0.378 176.384 176.094 -0.146 0.000 1.057 100 V CA -0.289 61.957 62.300 -0.091 0.000 1.012 100 V CB 1.654 33.408 31.823 -0.116 0.000 1.006 100 V HN 0.657 nan 8.190 nan 0.000 0.477 101 T N 3.117 117.553 114.554 -0.197 0.000 2.928 101 T HA 0.470 4.822 4.350 0.002 0.000 0.296 101 T C -0.655 173.788 174.700 -0.428 0.000 1.000 101 T CA -0.383 61.506 62.100 -0.351 0.000 0.989 101 T CB 1.605 70.240 68.868 -0.389 0.000 1.005 101 T HN 0.349 nan 8.240 nan 0.000 0.442 102 V N 3.959 123.587 119.914 -0.476 0.000 2.427 102 V HA 0.543 4.664 4.120 0.002 0.000 0.286 102 V C -0.858 174.908 176.094 -0.548 0.000 1.034 102 V CA -0.707 61.365 62.300 -0.380 0.000 0.893 102 V CB 0.638 32.309 31.823 -0.253 0.000 0.982 102 V HN 0.803 nan 8.190 nan 0.000 0.452 103 F N 5.946 125.697 119.950 -0.332 0.000 2.382 103 F HA 0.512 5.040 4.527 0.002 0.000 0.361 103 F C -2.360 173.342 175.800 -0.164 0.000 1.109 103 F CA -2.549 55.291 58.000 -0.267 0.000 1.031 103 F CB 1.743 40.557 39.000 -0.311 0.000 1.234 103 F HN 0.322 nan 8.300 nan 0.000 0.445 104 P HA 0.195 nan 4.420 nan 0.000 0.293 104 P C -0.569 176.762 177.300 0.051 0.000 1.300 104 P CA -0.373 62.722 63.100 -0.008 0.000 0.792 104 P CB 0.644 32.329 31.700 -0.025 0.000 0.925 105 N N 1.431 120.150 118.700 0.031 0.000 2.708 105 N HA -0.144 4.597 4.740 0.002 0.000 0.255 105 N C -0.695 174.952 175.510 0.227 0.000 1.046 105 N CA 0.755 53.901 53.050 0.160 0.000 0.715 105 N CB -1.272 37.277 38.487 0.103 0.000 0.895 105 N HN 0.466 nan 8.380 nan 0.000 0.545 106 L N 0.383 121.788 121.223 0.304 0.000 2.375 106 L HA 0.274 4.615 4.340 0.002 0.000 0.271 106 L C 1.270 178.282 176.870 0.236 0.000 1.107 106 L CA -0.512 54.487 54.840 0.266 0.000 0.806 106 L CB 0.797 43.020 42.059 0.275 0.000 1.146 106 L HN -0.077 nan 8.230 nan 0.000 0.447 107 K N 0.815 121.309 120.400 0.156 0.000 2.355 107 K HA 0.020 4.342 4.320 0.002 0.000 0.270 107 K C 1.034 177.666 176.600 0.053 0.000 1.003 107 K CA -0.154 56.196 56.287 0.104 0.000 0.957 107 K CB 1.016 33.560 32.500 0.073 0.000 0.939 107 K HN 0.589 nan 8.250 nan 0.000 0.482 108 S N 1.878 117.590 115.700 0.020 0.000 2.380 108 S HA -0.245 4.227 4.470 0.002 0.000 0.229 108 S C 1.805 176.307 174.600 -0.163 0.000 1.043 108 S CA 1.955 60.098 58.200 -0.095 0.000 1.038 108 S CB -0.051 63.121 63.200 -0.047 0.000 0.872 108 S HN 0.683 nan 8.310 nan 0.000 0.456 109 E N 0.246 120.392 120.200 -0.090 0.000 2.110 109 E HA -0.168 4.184 4.350 0.002 0.000 0.193 109 E C 1.929 178.466 176.600 -0.104 0.000 0.988 109 E CA 1.537 57.879 56.400 -0.098 0.000 0.804 109 E CB -0.082 29.581 29.700 -0.062 0.000 0.745 109 E HN 0.713 nan 8.360 nan 0.000 0.458 110 E N 0.214 120.385 120.200 -0.048 0.000 2.072 110 E HA -0.177 4.174 4.350 0.002 0.000 0.191 110 E C 2.170 178.789 176.600 0.031 0.000 0.985 110 E CA 1.163 57.564 56.400 0.002 0.000 0.801 110 E CB -0.147 29.639 29.700 0.143 0.000 0.750 110 E HN 0.353 nan 8.360 nan 0.000 0.452 111 I N 1.862 122.393 120.570 -0.065 0.000 2.151 111 I HA -0.320 3.852 4.170 0.002 0.000 0.243 111 I C 2.527 178.489 176.117 -0.259 0.000 1.080 111 I CA 0.987 62.123 61.300 -0.274 0.000 1.339 111 I CB -0.408 37.201 38.000 -0.650 0.000 1.039 111 I HN 0.207 nan 8.210 nan 0.000 0.409 112 N N 1.616 120.152 118.700 -0.273 0.000 2.223 112 N HA -0.243 4.499 4.740 0.002 0.000 0.185 112 N C 1.901 177.269 175.510 -0.237 0.000 1.016 112 N CA 1.614 54.523 53.050 -0.235 0.000 0.863 112 N CB 0.049 38.419 38.487 -0.195 0.000 0.983 112 N HN 0.486 nan 8.380 nan 0.000 0.429 113 K N -0.462 119.804 120.400 -0.223 0.000 2.062 113 K HA -0.088 4.233 4.320 0.002 0.000 0.205 113 K C 1.743 178.159 176.600 -0.307 0.000 1.051 113 K CA 1.127 57.232 56.287 -0.304 0.000 0.941 113 K CB -0.464 31.813 32.500 -0.373 0.000 0.719 113 K HN -0.026 nan 8.250 nan 0.000 0.440 114 F N 1.719 121.595 119.950 -0.123 0.000 2.098 114 F HA -0.070 4.458 4.527 0.003 0.000 0.294 114 F C 2.365 178.169 175.800 0.007 0.000 1.107 114 F CA 0.709 58.661 58.000 -0.081 0.000 1.234 114 F CB -0.353 38.489 39.000 -0.265 0.000 1.002 114 F HN -0.072 nan 8.300 nan 0.000 0.472 115 I N 0.431 121.144 120.570 0.239 0.000 2.145 115 I HA -0.387 3.784 4.170 0.002 0.000 0.244 115 I C 2.470 178.613 176.117 0.043 0.000 1.075 115 I CA 1.807 63.273 61.300 0.276 0.000 1.332 115 I CB -1.246 36.888 38.000 0.222 0.000 1.033 115 I HN 0.337 nan 8.210 nan 0.000 0.410 116 Q N 0.466 120.123 119.800 -0.238 0.000 2.046 116 Q HA -0.263 4.078 4.340 0.002 0.000 0.200 116 Q C 2.241 178.103 176.000 -0.230 0.000 0.975 116 Q CA 1.860 57.369 55.803 -0.490 0.000 0.836 116 Q CB -0.203 28.103 28.738 -0.719 0.000 0.896 116 Q HN 0.580 nan 8.270 nan 0.000 0.428 117 Q N -0.579 119.146 119.800 -0.125 0.000 2.437 117 Q HA -0.112 4.229 4.340 0.002 0.000 0.210 117 Q C 1.126 177.177 176.000 0.086 0.000 0.972 117 Q CA 1.500 57.283 55.803 -0.033 0.000 0.903 117 Q CB 0.178 28.884 28.738 -0.055 0.000 0.967 117 Q HN 0.362 nan 8.270 nan 0.000 0.486 118 T N 0.532 115.184 114.554 0.163 0.000 2.735 118 T HA 0.035 4.387 4.350 0.002 0.000 0.256 118 T C 1.829 176.727 174.700 0.331 0.000 1.042 118 T CA 1.135 63.421 62.100 0.310 0.000 1.147 118 T CB -0.425 68.722 68.868 0.465 0.000 0.865 118 T HN 0.458 nan 8.240 nan 0.000 0.421 119 A N 1.206 124.074 122.820 0.080 0.000 2.204 119 A HA 0.039 4.361 4.320 0.002 0.000 0.220 119 A C 1.639 179.249 177.584 0.044 0.000 1.165 119 A CA 1.831 53.768 52.037 -0.167 0.000 0.671 119 A CB -0.863 17.710 19.000 -0.712 0.000 0.792 119 A HN 0.636 nan 8.150 nan 0.000 0.473 120 E N -0.445 119.800 120.200 0.074 0.000 2.947 120 E HA 0.645 4.997 4.350 0.002 0.000 0.229 120 E C -0.217 176.434 176.600 0.085 0.000 1.158 120 E CA -0.345 56.096 56.400 0.068 0.000 1.441 120 E CB -0.599 29.108 29.700 0.013 0.000 1.414 120 E HN 0.679 nan 8.360 nan 0.000 0.432 121 M N -0.610 119.067 119.600 0.127 0.000 2.631 121 M HA 0.394 4.875 4.480 0.002 0.000 0.288 121 M C -0.944 175.327 176.300 -0.047 0.000 1.260 121 M CA -1.082 54.205 55.300 -0.021 0.000 0.842 121 M CB 2.551 35.047 32.600 -0.173 0.000 1.743 121 M HN 0.083 nan 8.290 nan 0.000 0.461 122 D N 0.543 120.899 120.400 -0.074 0.000 2.498 122 D HA 0.079 4.720 4.640 0.002 0.000 0.229 122 D C 0.550 176.825 176.300 -0.040 0.000 1.188 122 D CA 0.315 54.312 54.000 -0.004 0.000 1.028 122 D CB 0.189 41.000 40.800 0.019 0.000 1.087 122 D HN 0.459 nan 8.370 nan 0.000 0.510 123 H N 1.296 120.438 119.070 0.119 0.000 2.556 123 H HA -0.009 4.548 4.556 0.002 0.000 0.273 123 H C 1.515 176.918 175.328 0.126 0.000 1.030 123 H CA 0.164 56.289 56.048 0.128 0.000 1.156 123 H CB 0.351 30.195 29.762 0.136 0.000 1.326 123 H HN 0.336 nan 8.280 nan 0.000 0.609 124 S N 0.519 116.329 115.700 0.184 0.000 2.400 124 S HA -0.132 4.339 4.470 0.002 0.000 0.232 124 S C 1.311 176.012 174.600 0.167 0.000 1.025 124 S CA 1.126 59.420 58.200 0.157 0.000 0.993 124 S CB 0.061 63.321 63.200 0.100 0.000 0.808 124 S HN 0.423 nan 8.310 nan 0.000 0.478 125 D N 1.380 121.860 120.400 0.134 0.000 2.328 125 D HA 0.373 5.015 4.640 0.002 0.000 0.226 125 D C 0.316 176.686 176.300 0.115 0.000 1.066 125 D CA 0.125 54.175 54.000 0.083 0.000 0.861 125 D CB 0.128 40.909 40.800 -0.032 0.000 0.912 125 D HN 0.390 nan 8.370 nan 0.000 0.521 126 A N 0.368 123.286 122.820 0.163 0.000 2.312 126 A HA 0.297 4.619 4.320 0.002 0.000 0.326 126 A C 0.744 178.203 177.584 -0.208 0.000 1.172 126 A CA -0.583 51.489 52.037 0.059 0.000 0.821 126 A CB 1.188 20.296 19.000 0.179 0.000 1.166 126 A HN -0.191 nan 8.150 nan 0.000 0.493 127 D N 0.002 120.178 120.400 -0.373 0.000 2.234 127 D HA 0.051 4.692 4.640 0.002 0.000 0.205 127 D C 0.948 177.108 176.300 -0.233 0.000 0.962 127 D CA 1.969 55.657 54.000 -0.521 0.000 0.855 127 D CB -0.062 40.517 40.800 -0.369 0.000 0.951 127 D HN 0.791 nan 8.370 nan 0.000 0.500 128 C N -1.575 117.663 119.300 -0.103 0.000 3.175 128 C HA 0.749 5.210 4.460 0.002 0.000 0.366 128 C C -1.841 173.163 174.990 0.024 0.000 2.655 128 C CA -1.187 57.797 59.018 -0.057 0.000 1.149 128 C CB 0.794 28.510 27.740 -0.040 0.000 3.006 128 C HN 0.137 nan 8.230 nan 0.000 0.409 129 L N 0.397 121.618 121.223 -0.003 0.000 2.549 129 L HA 0.869 5.210 4.340 0.002 0.000 0.259 129 L C -1.843 174.930 176.870 -0.161 0.000 0.934 129 L CA -0.368 54.430 54.840 -0.069 0.000 0.865 129 L CB 1.693 43.574 42.059 -0.298 0.000 1.352 129 L HN 1.045 nan 8.230 nan 0.000 0.410 130 L N 4.788 125.900 121.223 -0.185 0.000 2.381 130 L HA 0.900 5.242 4.340 0.002 0.000 0.268 130 L C -1.506 175.184 176.870 -0.300 0.000 0.997 130 L CA -0.683 53.983 54.840 -0.290 0.000 0.818 130 L CB 2.185 43.964 42.059 -0.468 0.000 1.310 130 L HN 0.539 nan 8.230 nan 0.000 0.416 131 V N 3.795 123.535 119.914 -0.290 0.000 2.569 131 V HA 0.784 4.906 4.120 0.002 0.000 0.301 131 V C -0.408 175.782 176.094 0.160 0.000 1.044 131 V CA -0.410 61.853 62.300 -0.061 0.000 0.874 131 V CB 1.671 33.487 31.823 -0.011 0.000 1.002 131 V HN 0.842 nan 8.190 nan 0.000 0.424 132 A N 4.561 127.488 122.820 0.179 0.000 2.374 132 A HA 0.970 5.291 4.320 0.002 0.000 0.317 132 A C -1.124 176.637 177.584 0.296 0.000 1.094 132 A CA -0.627 51.554 52.037 0.241 0.000 0.765 132 A CB 1.974 21.038 19.000 0.106 0.000 1.268 132 A HN 0.729 nan 8.150 nan 0.000 0.438 133 V N 2.258 122.355 119.914 0.305 0.000 2.577 133 V HA 0.491 4.612 4.120 0.002 0.000 0.303 133 V C -1.098 175.145 176.094 0.247 0.000 1.042 133 V CA -0.270 62.229 62.300 0.332 0.000 0.872 133 V CB 1.398 33.431 31.823 0.350 0.000 0.998 133 V HN 0.727 nan 8.190 nan 0.000 0.423 134 L N 4.466 125.841 121.223 0.253 0.000 2.343 134 L HA 0.908 5.250 4.340 0.002 0.000 0.278 134 L C -0.022 177.051 176.870 0.338 0.000 0.996 134 L CA 0.288 55.265 54.840 0.228 0.000 0.831 134 L CB 1.941 44.091 42.059 0.152 0.000 1.232 134 L HN 0.838 nan 8.230 nan 0.000 0.413 135 T N 1.113 115.861 114.554 0.325 0.000 2.669 135 T HA 0.781 5.132 4.350 0.002 0.000 0.302 135 T C -1.715 173.183 174.700 0.330 0.000 1.659 135 T CA 0.129 62.489 62.100 0.435 0.000 0.979 135 T CB 0.865 70.038 68.868 0.508 0.000 1.895 135 T HN 0.635 nan 8.240 nan 0.000 0.466 136 A N -0.297 122.727 122.820 0.340 0.000 2.294 136 A HA 0.982 5.303 4.320 0.002 0.000 0.330 136 A C 0.659 178.362 177.584 0.197 0.000 1.133 136 A CA 0.360 52.506 52.037 0.181 0.000 0.836 136 A CB 0.592 19.528 19.000 -0.106 0.000 1.190 136 A HN 2.095 nan 8.150 nan 0.000 0.492 137 G N 0.202 109.085 108.800 0.138 0.000 2.346 137 G HA2 0.410 4.372 3.960 0.002 0.000 0.294 137 G HA3 0.410 4.372 3.960 0.002 0.000 0.294 137 G C -0.748 174.190 174.900 0.064 0.000 1.294 137 G CA -0.163 44.975 45.100 0.064 0.000 0.962 137 G HN 1.204 nan 8.290 nan 0.000 0.508 138 E N -0.768 119.440 120.200 0.014 0.000 2.561 138 E HA 0.677 5.029 4.350 0.002 0.000 0.254 138 E C 1.257 177.931 176.600 0.123 0.000 1.213 138 E CA -0.904 55.519 56.400 0.039 0.000 0.995 138 E CB 0.863 30.540 29.700 -0.037 0.000 1.233 138 E HN 0.396 nan 8.360 nan 0.000 0.556 139 L N 0.039 121.276 121.223 0.023 0.000 2.127 139 L HA 0.002 4.343 4.340 0.002 0.000 0.211 139 L C 1.568 178.305 176.870 -0.221 0.000 1.089 139 L CA 2.494 57.185 54.840 -0.248 0.000 0.757 139 L CB -0.745 41.156 42.059 -0.264 0.000 0.899 139 L HN 0.840 nan 8.230 nan 0.000 0.434 140 G N -2.559 106.189 108.800 -0.086 0.000 3.839 140 G HA2 0.284 4.246 3.960 0.002 0.000 0.286 140 G HA3 0.284 4.246 3.960 0.002 0.000 0.286 140 G C 0.032 174.871 174.900 -0.102 0.000 1.005 140 G CA -0.224 44.840 45.100 -0.061 0.000 0.824 140 G HN 0.040 nan 8.290 nan 0.000 0.489 141 M N 1.415 120.930 119.600 -0.141 0.000 2.182 141 M HA 0.422 4.904 4.480 0.002 0.000 0.266 141 M C -1.177 174.908 176.300 -0.359 0.000 0.989 141 M CA -0.372 54.763 55.300 -0.275 0.000 1.003 141 M CB 1.691 34.074 32.600 -0.361 0.000 1.812 141 M HN -0.145 nan 8.290 nan 0.000 0.472 142 L N 2.454 123.374 121.223 -0.505 0.000 2.343 142 L HA 0.531 4.872 4.340 0.002 0.000 0.275 142 L C -0.776 175.708 176.870 -0.644 0.000 1.056 142 L CA -0.751 53.763 54.840 -0.544 0.000 0.804 142 L CB 1.213 42.883 42.059 -0.650 0.000 1.203 142 L HN 0.529 nan 8.230 nan 0.000 0.440 143 Y N 0.702 120.892 120.300 -0.183 0.000 2.387 143 Y HA 0.593 5.145 4.550 0.002 0.000 0.330 143 Y C 0.485 176.341 175.900 -0.074 0.000 1.133 143 Y CA -0.512 57.552 58.100 -0.059 0.000 1.152 143 Y CB 1.915 40.331 38.460 -0.074 0.000 1.215 143 Y HN 0.658 nan 8.280 nan 0.000 0.466 144 A N 2.392 125.371 122.820 0.264 0.000 2.468 144 A HA 0.419 4.741 4.320 0.002 0.000 0.270 144 A C 0.845 178.538 177.584 0.181 0.000 1.217 144 A CA -0.795 51.247 52.037 0.008 0.000 0.908 144 A CB 1.132 20.234 19.000 0.169 0.000 1.423 144 A HN 0.872 nan 8.150 nan 0.000 0.459 145 K N -0.698 119.812 120.400 0.183 0.000 2.097 145 K HA -0.181 4.140 4.320 0.002 0.000 0.205 145 K C 1.097 177.819 176.600 0.204 0.000 1.050 145 K CA 2.371 58.779 56.287 0.201 0.000 0.938 145 K CB -0.148 32.449 32.500 0.163 0.000 0.718 145 K HN 0.794 nan 8.250 nan 0.000 0.442 146 D N -1.512 118.989 120.400 0.168 0.000 2.214 146 D HA -0.033 4.608 4.640 0.002 0.000 0.217 146 D C 0.886 177.282 176.300 0.159 0.000 0.973 146 D CA 0.692 54.773 54.000 0.134 0.000 0.880 146 D CB -0.161 40.688 40.800 0.083 0.000 1.031 146 D HN 0.032 nan 8.370 nan 0.000 0.468 147 T N -1.807 112.850 114.554 0.173 0.000 2.787 147 T HA 0.461 4.812 4.350 0.002 0.000 0.297 147 T C -1.467 173.352 174.700 0.198 0.000 1.221 147 T CA -0.935 61.242 62.100 0.128 0.000 1.006 147 T CB 0.833 69.637 68.868 -0.107 0.000 1.328 147 T HN 0.358 nan 8.240 nan 0.000 0.509 148 H N 0.361 119.530 119.070 0.166 0.000 2.546 148 H HA 0.669 5.226 4.556 0.002 0.000 0.365 148 H C -0.538 174.801 175.328 0.019 0.000 1.220 148 H CA -0.297 55.630 56.048 -0.201 0.000 1.386 148 H CB 0.208 29.623 29.762 -0.578 0.000 1.510 148 H HN 0.776 nan 8.280 nan 0.000 0.591 149 Y N -3.138 117.135 120.300 -0.045 0.000 2.670 149 Y HA 0.499 5.051 4.550 0.002 0.000 0.334 149 Y C -1.148 174.712 175.900 -0.067 0.000 1.185 149 Y CA -1.686 56.383 58.100 -0.051 0.000 1.053 149 Y CB 1.224 39.629 38.460 -0.091 0.000 1.298 149 Y HN 0.536 nan 8.280 nan 0.000 0.459 150 K N 2.593 123.009 120.400 0.027 0.000 2.297 150 K HA 0.265 4.586 4.320 0.002 0.000 0.286 150 K C -2.062 174.465 176.600 -0.121 0.000 1.053 150 K CA -1.823 54.416 56.287 -0.081 0.000 0.940 150 K CB 1.088 33.553 32.500 -0.059 0.000 1.019 150 K HN 0.415 nan 8.250 nan 0.000 0.475 151 P HA -0.246 nan 4.420 nan 0.000 0.217 151 P C 0.236 176.971 177.300 -0.943 0.000 1.148 151 P CA 1.295 64.177 63.100 -0.362 0.000 0.828 151 P CB 0.114 31.717 31.700 -0.161 0.000 0.783 152 D N -0.389 119.528 120.400 -0.806 0.000 2.221 152 D HA -0.198 4.444 4.640 0.002 0.000 0.204 152 D C 1.063 176.822 176.300 -0.902 0.000 0.982 152 D CA 0.973 54.301 54.000 -1.120 0.000 0.857 152 D CB -1.406 39.270 40.800 -0.207 0.000 0.934 152 D HN 0.375 nan 8.370 nan 0.000 0.475 153 N N 0.490 118.925 118.700 -0.442 0.000 2.519 153 N HA -0.039 4.703 4.740 0.002 0.000 0.186 153 N C 1.839 177.288 175.510 -0.101 0.000 1.062 153 N CA 0.151 53.092 53.050 -0.181 0.000 0.910 153 N CB -0.060 38.387 38.487 -0.067 0.000 0.958 153 N HN 0.229 nan 8.380 nan 0.000 0.445 154 L N -0.760 120.257 121.223 -0.343 0.000 2.162 154 L HA 0.013 4.355 4.340 0.002 0.000 0.205 154 L C 1.637 178.593 176.870 0.143 0.000 1.086 154 L CA 0.711 55.512 54.840 -0.065 0.000 0.778 154 L CB -0.233 41.786 42.059 -0.066 0.000 0.928 154 L HN 0.449 nan 8.230 nan 0.000 0.446 155 W N -3.252 118.018 121.300 -0.049 0.000 3.177 155 W HA 0.148 4.809 4.660 0.003 0.000 0.309 155 W C 2.070 178.725 176.519 0.226 0.000 1.224 155 W CA -0.708 56.648 57.345 0.018 0.000 1.718 155 W CB -1.106 27.989 29.460 -0.608 0.000 1.078 155 W HN -0.055 nan 8.180 nan 0.000 0.618 156 Y N 1.537 121.871 120.300 0.058 0.000 2.102 156 Y HA -0.310 4.242 4.550 0.003 0.000 0.280 156 Y C 1.171 177.050 175.900 -0.035 0.000 1.178 156 Y CA 1.777 59.842 58.100 -0.060 0.000 1.146 156 Y CB -0.894 37.369 38.460 -0.329 0.000 0.968 156 Y HN 0.076 nan 8.280 nan 0.000 0.504 157 Y N -1.564 118.655 120.300 -0.136 0.000 2.495 157 Y HA 0.119 4.670 4.550 0.002 0.000 0.293 157 Y C 0.618 176.249 175.900 -0.449 0.000 1.186 157 Y CA -0.110 57.746 58.100 -0.408 0.000 1.266 157 Y CB -0.576 37.657 38.460 -0.378 0.000 1.101 157 Y HN 0.063 nan 8.280 nan 0.000 0.517 158 F N -1.158 118.935 119.950 0.238 0.000 2.682 158 F HA 0.103 4.631 4.527 0.003 0.000 0.308 158 F C 1.349 177.268 175.800 0.199 0.000 1.093 158 F CA -0.592 57.570 58.000 0.271 0.000 1.244 158 F CB -0.305 38.948 39.000 0.422 0.000 1.052 158 F HN -0.183 nan 8.300 nan 0.000 0.573 159 T N -1.478 113.194 114.554 0.197 0.000 2.903 159 T HA 0.266 4.617 4.350 0.002 0.000 0.314 159 T C 1.590 176.384 174.700 0.156 0.000 1.078 159 T CA 0.016 62.105 62.100 -0.018 0.000 1.114 159 T CB 1.406 70.119 68.868 -0.258 0.000 0.987 159 T HN 0.180 nan 8.240 nan 0.000 0.548 160 A N 2.231 125.267 122.820 0.360 0.000 1.917 160 A HA -0.178 4.143 4.320 0.002 0.000 0.219 160 A C 2.170 179.855 177.584 0.169 0.000 1.182 160 A CA 1.880 54.080 52.037 0.271 0.000 0.633 160 A CB -1.014 18.155 19.000 0.281 0.000 0.819 160 A HN 1.037 nan 8.150 nan 0.000 0.448 161 D N -0.441 120.057 120.400 0.162 0.000 2.182 161 D HA -0.195 4.447 4.640 0.002 0.000 0.201 161 D C 1.590 177.924 176.300 0.057 0.000 0.986 161 D CA 1.588 55.645 54.000 0.095 0.000 0.847 161 D CB -0.297 40.554 40.800 0.084 0.000 0.942 161 D HN 0.529 nan 8.370 nan 0.000 0.467 162 K N -1.098 119.323 120.400 0.036 0.000 2.348 162 K HA 0.134 4.455 4.320 0.002 0.000 0.194 162 K C 0.204 176.828 176.600 0.040 0.000 1.052 162 K CA -0.013 56.276 56.287 0.004 0.000 1.004 162 K CB 0.881 33.325 32.500 -0.093 0.000 0.873 162 K HN 0.059 nan 8.250 nan 0.000 0.523 163 C N 2.223 121.572 119.300 0.081 0.000 3.414 163 C HA 0.355 4.817 4.460 0.002 0.000 0.208 163 C C -2.181 172.890 174.990 0.134 0.000 1.422 163 C CA -1.832 57.256 59.018 0.116 0.000 1.437 163 C CB 0.006 27.831 27.740 0.142 0.000 1.850 163 C HN 0.170 nan 8.230 nan 0.000 0.481 164 P HA -0.069 nan 4.420 nan 0.000 0.225 164 P C 1.552 178.926 177.300 0.123 0.000 1.148 164 P CA 1.303 64.472 63.100 0.115 0.000 0.779 164 P CB 0.127 31.883 31.700 0.094 0.000 0.780 165 T N -1.662 112.981 114.554 0.148 0.000 3.043 165 T HA 0.070 4.421 4.350 0.002 0.000 0.263 165 T C 1.242 176.050 174.700 0.180 0.000 1.094 165 T CA 0.541 62.744 62.100 0.172 0.000 1.127 165 T CB -0.560 68.433 68.868 0.208 0.000 0.905 165 T HN -0.000 nan 8.240 nan 0.000 0.490 166 L N 1.258 122.566 121.223 0.142 0.000 2.628 166 L HA 0.480 4.822 4.340 0.002 0.000 0.229 166 L C 1.110 178.025 176.870 0.074 0.000 1.137 166 L CA -0.567 54.319 54.840 0.075 0.000 0.909 166 L CB -0.232 41.817 42.059 -0.017 0.000 1.137 166 L HN 0.175 nan 8.230 nan 0.000 0.470 167 A N 0.099 122.984 122.820 0.109 0.000 2.566 167 A HA 0.334 4.655 4.320 0.002 0.000 0.245 167 A C 1.538 179.188 177.584 0.110 0.000 1.056 167 A CA 0.833 52.939 52.037 0.115 0.000 0.757 167 A CB -0.327 18.741 19.000 0.113 0.000 0.979 167 A HN 0.626 nan 8.150 nan 0.000 0.508 168 G N 2.025 110.894 108.800 0.115 0.000 2.245 168 G HA2 -0.293 3.668 3.960 0.002 0.000 0.264 168 G HA3 -0.293 3.668 3.960 0.002 0.000 0.264 168 G C 0.380 175.387 174.900 0.178 0.000 0.985 168 G CA 1.065 46.257 45.100 0.154 0.000 0.625 168 G HN 0.884 nan 8.290 nan 0.000 0.536 169 K N 1.816 122.256 120.400 0.067 0.000 2.218 169 K HA 0.478 4.800 4.320 0.002 0.000 0.276 169 K C -2.232 174.229 176.600 -0.231 0.000 1.022 169 K CA -1.764 54.493 56.287 -0.050 0.000 0.946 169 K CB 1.091 33.570 32.500 -0.035 0.000 1.000 169 K HN 0.062 nan 8.250 nan 0.000 0.468 170 P HA 0.031 nan 4.420 nan 0.000 0.268 170 P C -1.313 175.769 177.300 -0.363 0.000 1.205 170 P CA -0.115 62.676 63.100 -0.516 0.000 0.771 170 P CB 0.495 31.781 31.700 -0.691 0.000 0.858 171 K N 2.637 122.795 120.400 -0.404 0.000 2.507 171 K HA 0.480 4.802 4.320 0.002 0.000 0.253 171 K C -0.913 175.474 176.600 -0.355 0.000 0.969 171 K CA -0.561 55.447 56.287 -0.465 0.000 0.908 171 K CB 0.913 33.007 32.500 -0.677 0.000 1.127 171 K HN 0.233 nan 8.250 nan 0.000 0.437 172 L N 3.421 124.365 121.223 -0.464 0.000 2.317 172 L HA 0.545 4.886 4.340 0.002 0.000 0.281 172 L C -0.951 175.534 176.870 -0.641 0.000 1.024 172 L CA -0.271 54.349 54.840 -0.366 0.000 0.810 172 L CB 0.541 42.514 42.059 -0.143 0.000 1.240 172 L HN 0.452 nan 8.230 nan 0.000 0.427 173 F N 3.118 122.940 119.950 -0.213 0.000 2.553 173 F HA 0.468 4.996 4.527 0.003 0.000 0.335 173 F C -0.657 175.020 175.800 -0.205 0.000 1.148 173 F CA -0.375 57.600 58.000 -0.043 0.000 0.963 173 F CB 0.992 40.111 39.000 0.199 0.000 1.217 173 F HN 0.152 nan 8.300 nan 0.000 0.441 174 F N 4.741 124.836 119.950 0.241 0.000 2.361 174 F HA 0.536 5.064 4.527 0.002 0.000 0.364 174 F C -0.377 175.537 175.800 0.191 0.000 1.120 174 F CA -0.807 57.330 58.000 0.228 0.000 1.102 174 F CB 0.769 39.864 39.000 0.158 0.000 1.183 174 F HN 0.114 nan 8.300 nan 0.000 0.476 175 I N 2.875 123.568 120.570 0.205 0.000 2.362 175 I HA 0.271 4.442 4.170 0.002 0.000 0.289 175 I C -0.366 175.654 176.117 -0.162 0.000 0.994 175 I CA -0.905 60.339 61.300 -0.092 0.000 1.158 175 I CB 1.740 39.376 38.000 -0.606 0.000 1.315 175 I HN 0.493 nan 8.210 nan 0.000 0.451 176 Q N 5.744 125.556 119.800 0.020 0.000 2.348 176 Q HA 0.818 5.160 4.340 0.002 0.000 0.265 176 Q C -1.221 174.778 176.000 -0.001 0.000 0.998 176 Q CA -0.504 55.324 55.803 0.043 0.000 0.831 176 Q CB 1.550 30.460 28.738 0.287 0.000 1.251 176 Q HN 0.755 nan 8.270 nan 0.000 0.456 177 A N 4.003 126.779 122.820 -0.073 0.000 2.815 177 A HA 0.405 4.726 4.320 0.002 0.000 0.318 177 A C -0.647 176.994 177.584 0.095 0.000 1.186 177 A CA -0.696 51.362 52.037 0.036 0.000 0.754 177 A CB -0.044 18.957 19.000 0.003 0.000 1.151 177 A HN 0.869 nan 8.150 nan 0.000 0.452 178 C N 2.253 121.623 119.300 0.117 0.000 2.642 178 C HA 0.559 5.021 4.460 0.002 0.000 0.420 178 C C 0.012 175.053 174.990 0.085 0.000 1.349 178 C CA -0.047 59.030 59.018 0.098 0.000 1.821 178 C CB -0.642 27.192 27.740 0.157 0.000 2.637 178 C HN 0.774 nan 8.230 nan 0.000 0.605 179 Q N 1.099 120.932 119.800 0.055 0.000 2.795 179 Q HA 0.409 4.750 4.340 0.002 0.000 0.225 179 Q C -0.515 175.498 176.000 0.021 0.000 0.967 179 Q CA -0.126 55.698 55.803 0.035 0.000 1.105 179 Q CB 1.000 29.760 28.738 0.036 0.000 1.759 179 Q HN 1.029 nan 8.270 nan 0.000 0.514 180 G N 1.574 110.377 108.800 0.005 0.000 4.101 180 G HA2 0.271 4.233 3.960 0.002 0.000 0.262 180 G HA3 0.271 4.233 3.960 0.002 0.000 0.262 180 G C -1.252 173.655 174.900 0.012 0.000 1.181 180 G CA -0.347 44.759 45.100 0.011 0.000 0.640 180 G HN 0.253 nan 8.290 nan 0.000 0.467 181 D N 1.031 121.429 120.400 -0.004 0.000 2.414 181 D HA 0.309 4.951 4.640 0.002 0.000 0.232 181 D C 0.223 176.506 176.300 -0.030 0.000 1.070 181 D CA -0.799 53.188 54.000 -0.022 0.000 0.839 181 D CB 1.279 42.061 40.800 -0.029 0.000 1.079 181 D HN -0.046 nan 8.370 nan 0.000 0.521 182 R N 3.114 123.587 120.500 -0.045 0.000 2.630 182 R HA 0.242 4.584 4.340 0.002 0.000 0.286 182 R C -0.645 175.625 176.300 -0.051 0.000 1.391 182 R CA 0.311 56.384 56.100 -0.044 0.000 1.027 182 R CB -0.802 29.468 30.300 -0.049 0.000 1.099 182 R HN 0.440 nan 8.270 nan 0.000 0.525 183 L N 1.607 122.809 121.223 -0.035 0.000 2.795 183 L HA 0.191 4.532 4.340 0.002 0.000 0.260 183 L C -0.873 175.980 176.870 -0.029 0.000 0.935 183 L CA -0.085 54.735 54.840 -0.032 0.000 0.985 183 L CB 1.994 44.031 42.059 -0.036 0.000 1.433 183 L HN 0.410 nan 8.230 nan 0.000 0.447 184 D N 1.917 122.301 120.400 -0.026 0.000 2.556 184 D HA 0.284 4.926 4.640 0.002 0.000 0.237 184 D C 0.451 176.735 176.300 -0.025 0.000 1.296 184 D CA 0.218 54.201 54.000 -0.029 0.000 0.807 184 D CB 0.952 41.733 40.800 -0.032 0.000 1.084 184 D HN 0.551 nan 8.370 nan 0.000 0.510 185 G N -1.181 107.606 108.800 -0.022 0.000 2.477 185 G HA2 0.533 4.495 3.960 0.002 0.000 0.304 185 G HA3 0.533 4.495 3.960 0.002 0.000 0.304 185 G C 0.448 175.337 174.900 -0.019 0.000 1.175 185 G CA -0.387 44.702 45.100 -0.019 0.000 0.907 185 G HN 0.133 nan 8.290 nan 0.000 0.509 186 G N -0.150 108.640 108.800 -0.017 0.000 5.515 186 G HA2 0.333 4.295 3.960 0.002 0.000 0.198 186 G HA3 0.333 4.295 3.960 0.002 0.000 0.198 186 G C -0.006 174.886 174.900 -0.014 0.000 0.858 186 G CA -0.470 44.620 45.100 -0.016 0.000 0.634 186 G HN 0.529 nan 8.290 nan 0.000 0.290 202 Y N -0.112 120.084 120.300 -0.174 0.000 2.480 202 Y HA 0.831 5.382 4.550 0.002 0.000 0.323 202 Y C 0.398 176.307 175.900 0.014 0.000 1.267 202 Y CA -0.786 57.282 58.100 -0.053 0.000 1.336 202 Y CB -0.087 38.402 38.460 0.047 0.000 1.361 202 Y HN 0.738 nan 8.280 nan 0.000 0.518 203 R N 1.609 122.323 120.500 0.357 0.000 2.235 203 R HA 0.499 4.840 4.340 0.002 0.000 0.338 203 R C -0.834 175.673 176.300 0.345 0.000 1.087 203 R CA -0.506 55.731 56.100 0.227 0.000 0.948 203 R CB -1.427 28.980 30.300 0.178 0.000 1.099 203 R HN 0.767 nan 8.270 nan 0.000 0.483 204 I N 5.119 125.741 120.570 0.086 0.000 2.517 204 I HA 0.149 4.320 4.170 0.002 0.000 0.285 204 I C -1.453 174.604 176.117 -0.101 0.000 1.106 204 I CA -1.421 59.880 61.300 0.001 0.000 1.402 204 I CB 1.475 39.413 38.000 -0.104 0.000 1.399 204 I HN 0.539 nan 8.210 nan 0.000 0.535 205 P HA 0.074 nan 4.420 nan 0.000 0.276 205 P C -0.453 176.734 177.300 -0.189 0.000 1.264 205 P CA -0.184 62.707 63.100 -0.348 0.000 0.769 205 P CB 0.723 31.871 31.700 -0.921 0.000 0.840 206 V N 5.293 125.184 119.914 -0.039 0.000 2.276 206 V HA 0.183 4.304 4.120 0.002 0.000 0.249 206 V C 0.391 176.557 176.094 0.119 0.000 1.160 206 V CA 0.199 62.513 62.300 0.024 0.000 1.042 206 V CB -1.410 30.421 31.823 0.014 0.000 1.224 206 V HN 0.682 nan 8.190 nan 0.000 0.496 207 H N 2.975 122.069 119.070 0.039 0.000 3.154 207 H HA 0.467 5.024 4.556 0.002 0.000 0.330 207 H C -0.092 175.381 175.328 0.242 0.000 1.033 207 H CA -0.161 55.972 56.048 0.142 0.000 1.393 207 H CB 1.981 31.842 29.762 0.165 0.000 1.951 207 H HN 0.608 nan 8.280 nan 0.000 0.466 208 A N 3.326 126.227 122.820 0.135 0.000 2.561 208 A HA 0.143 4.465 4.320 0.002 0.000 0.234 208 A C 0.514 178.255 177.584 0.262 0.000 1.055 208 A CA 1.235 53.370 52.037 0.164 0.000 0.756 208 A CB -0.033 19.010 19.000 0.072 0.000 0.986 208 A HN 0.917 nan 8.150 nan 0.000 0.505 209 D N -1.141 119.383 120.400 0.207 0.000 3.059 209 D HA -0.148 4.493 4.640 0.002 0.000 0.208 209 D C -0.514 175.759 176.300 -0.046 0.000 1.079 209 D CA 1.192 55.260 54.000 0.114 0.000 0.986 209 D CB -1.910 38.940 40.800 0.082 0.000 1.090 209 D HN 0.443 nan 8.370 nan 0.000 0.428 210 F N 0.214 120.215 119.950 0.084 0.000 2.377 210 F HA 0.572 5.101 4.527 0.003 0.000 0.328 210 F C 0.630 176.431 175.800 0.003 0.000 1.094 210 F CA -0.672 57.356 58.000 0.046 0.000 1.093 210 F CB 1.094 40.079 39.000 -0.025 0.000 1.214 210 F HN -0.099 nan 8.300 nan 0.000 0.518 211 L N 3.962 125.291 121.223 0.177 0.000 2.436 211 L HA 0.664 5.006 4.340 0.002 0.000 0.268 211 L C -1.552 175.352 176.870 0.057 0.000 0.974 211 L CA -0.276 54.600 54.840 0.060 0.000 0.826 211 L CB 1.575 43.612 42.059 -0.036 0.000 1.291 211 L HN 0.477 nan 8.230 nan 0.000 0.406 212 I N 4.969 125.543 120.570 0.007 0.000 2.439 212 I HA 0.645 4.816 4.170 0.002 0.000 0.285 212 I C -0.294 175.847 176.117 0.041 0.000 1.021 212 I CA -0.535 60.769 61.300 0.007 0.000 1.091 212 I CB 2.014 39.957 38.000 -0.094 0.000 1.242 212 I HN 0.778 nan 8.210 nan 0.000 0.439 213 A N 6.993 129.807 122.820 -0.009 0.000 2.253 213 A HA 0.617 4.938 4.320 0.002 0.000 0.316 213 A C -1.114 176.614 177.584 0.241 0.000 1.327 213 A CA -0.225 51.910 52.037 0.163 0.000 0.917 213 A CB 0.163 19.339 19.000 0.293 0.000 1.162 213 A HN 0.607 nan 8.150 nan 0.000 0.535 214 F N 2.312 122.294 119.950 0.054 0.000 2.469 214 F HA 0.513 5.041 4.527 0.002 0.000 0.332 214 F C 1.075 176.782 175.800 -0.156 0.000 1.103 214 F CA 0.139 58.150 58.000 0.019 0.000 0.979 214 F CB 2.304 41.355 39.000 0.086 0.000 1.137 214 F HN 0.556 nan 8.300 nan 0.000 0.463 215 S N 1.223 116.799 115.700 -0.208 0.000 2.860 215 S HA 0.070 4.542 4.470 0.002 0.000 0.181 215 S C 1.194 175.785 174.600 -0.016 0.000 0.763 215 S CA 1.157 59.175 58.200 -0.303 0.000 0.829 215 S CB -0.151 62.578 63.200 -0.786 0.000 0.793 215 S HN 1.177 nan 8.310 nan 0.000 0.614 216 T N -0.703 113.856 114.554 0.009 0.000 7.578 216 T HA -0.175 4.177 4.350 0.002 0.000 0.299 216 T C 0.004 174.695 174.700 -0.015 0.000 2.097 216 T CA 0.910 63.044 62.100 0.056 0.000 3.248 216 T CB -2.610 66.341 68.868 0.138 0.000 2.014 216 T HN 0.359 nan 8.240 nan 0.000 1.198 217 V N 3.739 123.614 119.914 -0.066 0.000 2.421 217 V HA 0.326 4.447 4.120 0.002 0.000 0.271 217 V C -0.381 175.533 176.094 -0.299 0.000 1.031 217 V CA -0.686 61.553 62.300 -0.102 0.000 1.032 217 V CB 0.794 32.603 31.823 -0.024 0.000 1.009 217 V HN 0.393 nan 8.190 nan 0.000 0.477 218 P HA 0.106 nan 4.420 nan 0.000 0.255 218 P C 0.750 177.327 177.300 -1.205 0.000 1.301 218 P CA 0.168 62.912 63.100 -0.593 0.000 0.817 218 P CB 0.247 31.788 31.700 -0.264 0.000 1.259 219 G N -0.050 107.861 108.800 -1.483 0.000 2.406 219 G HA2 0.336 4.298 3.960 0.002 0.000 0.251 219 G HA3 0.336 4.298 3.960 0.002 0.000 0.251 219 G C -1.081 172.402 174.900 -2.362 0.000 1.271 219 G CA -0.005 43.597 45.100 -2.497 0.000 0.859 219 G HN 0.093 nan 8.290 nan 0.000 0.540 220 Y N -0.351 119.385 120.300 -0.940 0.000 2.665 220 Y HA 0.584 5.136 4.550 0.002 0.000 0.336 220 Y C -0.364 175.556 175.900 0.035 0.000 1.085 220 Y CA -1.148 56.774 58.100 -0.297 0.000 1.096 220 Y CB 1.838 40.259 38.460 -0.065 0.000 1.301 220 Y HN 0.429 nan 8.280 nan 0.000 0.493 221 F N 0.971 121.225 119.950 0.505 0.000 2.404 221 F HA 0.543 5.072 4.527 0.002 0.000 0.339 221 F C 0.260 176.236 175.800 0.292 0.000 1.105 221 F CA -0.613 57.617 58.000 0.383 0.000 1.087 221 F CB 1.615 40.797 39.000 0.304 0.000 1.143 221 F HN 0.318 nan 8.300 nan 0.000 0.491 222 S N 3.760 119.708 115.700 0.414 0.000 2.521 222 S HA 0.267 4.738 4.470 0.002 0.000 0.295 222 S C 0.023 174.820 174.600 0.328 0.000 1.098 222 S CA -0.939 57.443 58.200 0.303 0.000 0.999 222 S CB 1.190 64.507 63.200 0.195 0.000 1.034 222 S HN 0.935 nan 8.310 nan 0.000 0.483 223 W N 4.495 125.858 121.300 0.106 0.000 2.476 223 W HA 0.071 4.732 4.660 0.003 0.000 0.319 223 W C 1.791 178.349 176.519 0.065 0.000 1.132 223 W CA 0.561 57.953 57.345 0.079 0.000 1.325 223 W CB -0.127 29.363 29.460 0.051 0.000 1.215 223 W HN 0.822 nan 8.180 nan 0.000 0.460 224 R N 0.175 120.489 120.500 -0.310 0.000 1.799 224 R HA -0.067 4.274 4.340 0.002 0.000 0.150 224 R C 1.987 178.190 176.300 -0.162 0.000 1.953 224 R CA 1.260 57.088 56.100 -0.453 0.000 1.598 224 R CB -0.678 29.390 30.300 -0.386 0.000 1.119 224 R HN 0.277 nan 8.270 nan 0.000 0.479 225 N N -0.249 118.407 118.700 -0.073 0.000 2.415 225 N HA -0.058 4.683 4.740 0.002 0.000 0.174 225 N C 0.147 175.670 175.510 0.021 0.000 1.048 225 N CA 0.579 53.617 53.050 -0.019 0.000 0.895 225 N CB -0.462 38.016 38.487 -0.016 0.000 1.036 225 N HN 0.277 nan 8.380 nan 0.000 0.449 226 T N -1.568 113.013 114.554 0.046 0.000 2.868 226 T HA 0.393 4.744 4.350 0.002 0.000 0.292 226 T C 0.435 175.182 174.700 0.080 0.000 1.028 226 T CA -0.484 61.651 62.100 0.059 0.000 1.059 226 T CB 1.289 70.203 68.868 0.077 0.000 0.991 226 T HN 0.328 nan 8.240 nan 0.000 0.531 227 T N -0.703 113.870 114.554 0.031 0.000 2.952 227 T HA 0.674 5.025 4.350 0.002 0.000 0.286 227 T C -0.686 174.017 174.700 0.005 0.000 1.024 227 T CA -1.157 60.952 62.100 0.015 0.000 1.029 227 T CB 0.936 69.726 68.868 -0.130 0.000 1.094 227 T HN 1.111 nan 8.240 nan 0.000 0.515 228 R N 1.107 121.641 120.500 0.057 0.000 3.146 228 R HA 0.513 4.855 4.340 0.002 0.000 0.283 228 R C -0.292 176.111 176.300 0.172 0.000 1.375 228 R CA -0.550 55.599 56.100 0.082 0.000 1.029 228 R CB 0.027 30.387 30.300 0.101 0.000 1.375 228 R HN 1.582 nan 8.270 nan 0.000 0.380 229 G N 1.735 110.636 108.800 0.170 0.000 3.322 229 G HA2 -0.108 3.853 3.960 0.002 0.000 0.686 229 G HA3 -0.108 3.853 3.960 0.002 0.000 0.686 229 G C -0.473 174.743 174.900 0.527 0.000 1.015 229 G CA -0.323 44.943 45.100 0.275 0.000 0.826 229 G HN 1.127 nan 8.290 nan 0.000 0.538 230 S N 2.061 118.060 115.700 0.497 0.000 2.651 230 S HA 0.711 5.182 4.470 0.002 0.000 0.291 230 S C 1.281 176.218 174.600 0.562 0.000 1.141 230 S CA -0.055 58.447 58.200 0.504 0.000 1.027 230 S CB 1.314 64.757 63.200 0.404 0.000 1.043 230 S HN 0.875 nan 8.310 nan 0.000 0.530 231 W N 0.869 122.293 121.300 0.206 0.000 2.317 231 W HA -0.108 4.554 4.660 0.003 0.000 0.318 231 W C 2.009 178.716 176.519 0.314 0.000 1.227 231 W CA 0.469 57.937 57.345 0.205 0.000 1.269 231 W CB -1.710 27.761 29.460 0.018 0.000 1.155 231 W HN 0.852 nan 8.180 nan 0.000 0.484 232 F N 0.906 121.064 119.950 0.347 0.000 2.026 232 F HA -0.275 4.254 4.527 0.002 0.000 0.296 232 F C 2.360 178.291 175.800 0.219 0.000 1.133 232 F CA 1.961 60.112 58.000 0.253 0.000 1.188 232 F CB -0.996 38.112 39.000 0.180 0.000 0.968 232 F HN -0.312 nan 8.300 nan 0.000 0.476 233 M N 0.224 119.796 119.600 -0.047 0.000 2.195 233 M HA -0.263 4.218 4.480 0.002 0.000 0.260 233 M C 2.269 178.516 176.300 -0.087 0.000 1.066 233 M CA 1.831 57.009 55.300 -0.204 0.000 1.089 233 M CB -1.436 31.163 32.600 -0.002 0.000 1.377 233 M HN 0.489 nan 8.290 nan 0.000 0.411 234 Q N -0.302 119.566 119.800 0.114 0.000 2.049 234 Q HA -0.077 4.264 4.340 0.002 0.000 0.198 234 Q C 2.063 178.101 176.000 0.064 0.000 0.971 234 Q CA 1.611 57.473 55.803 0.098 0.000 0.833 234 Q CB -0.036 28.818 28.738 0.193 0.000 0.896 234 Q HN 0.448 nan 8.270 nan 0.000 0.434 235 A N 1.023 123.927 122.820 0.140 0.000 1.917 235 A HA -0.222 4.099 4.320 0.002 0.000 0.219 235 A C 2.008 179.608 177.584 0.028 0.000 1.182 235 A CA 1.633 53.743 52.037 0.121 0.000 0.633 235 A CB -0.889 18.235 19.000 0.206 0.000 0.819 235 A HN 0.520 nan 8.150 nan 0.000 0.448 236 L N -0.721 120.440 121.223 -0.105 0.000 2.201 236 L HA -0.104 4.237 4.340 0.002 0.000 0.212 236 L C 2.340 179.120 176.870 -0.151 0.000 1.105 236 L CA 1.877 56.612 54.840 -0.175 0.000 0.775 236 L CB -0.547 41.244 42.059 -0.446 0.000 0.913 236 L HN 0.477 nan 8.230 nan 0.000 0.440 237 C N -0.330 118.887 119.300 -0.139 0.000 2.508 237 C HA -0.077 4.385 4.460 0.002 0.000 0.280 237 C C 2.481 177.436 174.990 -0.059 0.000 1.262 237 C CA 0.631 59.580 59.018 -0.115 0.000 1.706 237 C CB -0.801 26.870 27.740 -0.115 0.000 2.078 237 C HN 0.566 nan 8.230 nan 0.000 0.480 238 E N 0.812 120.991 120.200 -0.035 0.000 2.108 238 E HA -0.267 4.084 4.350 0.002 0.000 0.203 238 E C 2.109 178.721 176.600 0.019 0.000 1.022 238 E CA 1.534 57.929 56.400 -0.009 0.000 0.823 238 E CB -0.200 29.503 29.700 0.005 0.000 0.744 238 E HN 0.591 nan 8.360 nan 0.000 0.456 239 E N 0.602 120.828 120.200 0.043 0.000 2.015 239 E HA -0.131 4.221 4.350 0.002 0.000 0.191 239 E C 2.306 178.958 176.600 0.086 0.000 0.991 239 E CA 0.680 57.136 56.400 0.092 0.000 0.802 239 E CB -0.372 29.413 29.700 0.143 0.000 0.759 239 E HN 0.310 nan 8.360 nan 0.000 0.447 240 L N 0.535 121.789 121.223 0.052 0.000 2.261 240 L HA -0.201 4.140 4.340 0.002 0.000 0.216 240 L C 2.671 179.555 176.870 0.023 0.000 1.114 240 L CA 1.023 55.894 54.840 0.052 0.000 0.777 240 L CB -0.232 41.809 42.059 -0.029 0.000 0.910 240 L HN 0.086 nan 8.230 nan 0.000 0.440 241 R N -0.663 119.839 120.500 0.003 0.000 2.024 241 R HA -0.097 4.245 4.340 0.002 0.000 0.216 241 R C 2.005 178.312 176.300 0.012 0.000 1.259 241 R CA 1.106 57.200 56.100 -0.010 0.000 1.001 241 R CB -0.627 29.655 30.300 -0.029 0.000 0.881 241 R HN 0.197 nan 8.270 nan 0.000 0.459 242 Y N -0.014 120.295 120.300 0.015 0.000 2.544 242 Y HA 0.466 5.018 4.550 0.002 0.000 0.356 242 Y C 0.847 176.774 175.900 0.046 0.000 1.173 242 Y CA 0.525 58.637 58.100 0.021 0.000 1.318 242 Y CB -0.709 37.757 38.460 0.010 0.000 1.207 242 Y HN 0.588 nan 8.280 nan 0.000 0.490 243 A N -2.169 120.691 122.820 0.066 0.000 2.025 243 A HA 0.287 4.608 4.320 0.002 0.000 0.162 243 A C 2.102 179.760 177.584 0.123 0.000 1.995 243 A CA 0.653 52.749 52.037 0.099 0.000 1.547 243 A CB -0.988 18.092 19.000 0.132 0.000 1.629 243 A HN 1.277 nan 8.150 nan 0.000 0.309 244 G N 0.609 109.492 108.800 0.140 0.000 2.601 244 G HA2 -0.020 3.942 3.960 0.002 0.000 0.214 244 G HA3 -0.020 3.942 3.960 0.002 0.000 0.214 244 G C 0.966 176.008 174.900 0.237 0.000 1.132 244 G CA 2.076 47.314 45.100 0.229 0.000 0.761 244 G HN 0.666 nan 8.290 nan 0.000 0.550 245 T N -1.469 113.171 114.554 0.143 0.000 3.044 245 T HA 0.253 4.605 4.350 0.002 0.000 0.260 245 T C 1.359 176.102 174.700 0.072 0.000 1.019 245 T CA 0.117 62.283 62.100 0.110 0.000 0.921 245 T CB 0.603 69.514 68.868 0.071 0.000 1.053 245 T HN 0.149 nan 8.240 nan 0.000 0.533 246 E N 0.777 121.024 120.200 0.079 0.000 2.539 246 E HA 0.302 4.653 4.350 0.002 0.000 0.215 246 E C 0.365 177.013 176.600 0.081 0.000 0.965 246 E CA 0.059 56.496 56.400 0.062 0.000 1.019 246 E CB 0.639 30.375 29.700 0.058 0.000 1.059 246 E HN 0.348 nan 8.360 nan 0.000 0.496 247 R N 1.289 121.851 120.500 0.103 0.000 2.803 247 R HA 0.241 4.583 4.340 0.002 0.000 0.276 247 R C -0.565 175.790 176.300 0.091 0.000 0.978 247 R CA -0.865 55.301 56.100 0.110 0.000 0.939 247 R CB 1.261 31.644 30.300 0.139 0.000 1.179 247 R HN 0.052 nan 8.270 nan 0.000 0.472 248 D N 1.576 122.027 120.400 0.085 0.000 2.368 248 D HA -0.060 4.581 4.640 0.002 0.000 0.240 248 D C 0.922 177.235 176.300 0.021 0.000 1.169 248 D CA -0.284 53.751 54.000 0.058 0.000 0.906 248 D CB 0.990 41.829 40.800 0.064 0.000 1.187 248 D HN 0.416 nan 8.370 nan 0.000 0.435 249 I N 0.816 121.377 120.570 -0.014 0.000 2.361 249 I HA -0.192 3.979 4.170 0.002 0.000 0.251 249 I C 2.018 178.161 176.117 0.043 0.000 1.133 249 I CA 0.991 62.302 61.300 0.017 0.000 1.413 249 I CB -0.037 37.947 38.000 -0.025 0.000 1.073 249 I HN 0.460 nan 8.210 nan 0.000 0.424 250 L N -1.030 120.199 121.223 0.010 0.000 2.131 250 L HA -0.124 4.218 4.340 0.002 0.000 0.206 250 L C 2.351 179.171 176.870 -0.082 0.000 1.087 250 L CA 1.180 56.015 54.840 -0.007 0.000 0.767 250 L CB -0.856 41.198 42.059 -0.009 0.000 0.917 250 L HN 0.147 nan 8.230 nan 0.000 0.441 251 T N 0.394 114.871 114.554 -0.130 0.000 2.684 251 T HA -0.202 4.149 4.350 0.002 0.000 0.267 251 T C 1.906 176.343 174.700 -0.439 0.000 1.036 251 T CA 1.301 63.203 62.100 -0.330 0.000 1.148 251 T CB -0.218 68.508 68.868 -0.236 0.000 0.863 251 T HN 0.038 nan 8.240 nan 0.000 0.436 252 L N 0.620 121.771 121.223 -0.120 0.000 1.990 252 L HA -0.061 4.280 4.340 0.002 0.000 0.213 252 L C 2.352 179.264 176.870 0.069 0.000 1.072 252 L CA 1.626 56.495 54.840 0.047 0.000 0.755 252 L CB -0.632 41.511 42.059 0.140 0.000 0.889 252 L HN 0.273 nan 8.230 nan 0.000 0.432 253 L N -1.861 119.409 121.223 0.079 0.000 2.201 253 L HA -0.185 4.157 4.340 0.002 0.000 0.212 253 L C 2.328 179.262 176.870 0.107 0.000 1.105 253 L CA 1.098 56.035 54.840 0.162 0.000 0.775 253 L CB -0.716 41.462 42.059 0.198 0.000 0.913 253 L HN 0.306 nan 8.230 nan 0.000 0.440 254 T N -0.061 114.464 114.554 -0.048 0.000 2.665 254 T HA -0.219 4.132 4.350 0.002 0.000 0.268 254 T C 1.628 176.374 174.700 0.077 0.000 1.035 254 T CA 1.692 63.747 62.100 -0.075 0.000 1.151 254 T CB -0.374 68.324 68.868 -0.282 0.000 0.862 254 T HN 0.237 nan 8.240 nan 0.000 0.438 255 F N 0.685 120.701 119.950 0.110 0.000 2.186 255 F HA -0.092 4.436 4.527 0.001 0.000 0.299 255 F C 2.555 178.428 175.800 0.122 0.000 1.090 255 F CA 0.032 58.092 58.000 0.100 0.000 1.307 255 F CB -0.501 38.551 39.000 0.086 0.000 1.019 255 F HN -0.029 nan 8.300 nan 0.000 0.489 256 V N -0.532 119.575 119.914 0.322 0.000 2.282 256 V HA -0.375 3.746 4.120 0.002 0.000 0.249 256 V C 2.443 178.719 176.094 0.302 0.000 1.057 256 V CA 1.709 64.185 62.300 0.292 0.000 1.032 256 V CB -1.006 30.998 31.823 0.302 0.000 0.645 256 V HN 0.510 nan 8.190 nan 0.000 0.447 257 C N -0.657 118.806 119.300 0.271 0.000 2.393 257 C HA -0.286 4.176 4.460 0.002 0.000 0.276 257 C C 2.883 177.989 174.990 0.193 0.000 1.215 257 C CA 1.810 60.958 59.018 0.218 0.000 1.743 257 C CB -1.112 26.721 27.740 0.155 0.000 2.044 257 C HN 0.688 nan 8.230 nan 0.000 0.464 258 Q N 1.158 121.079 119.800 0.201 0.000 2.077 258 Q HA -0.255 4.086 4.340 0.002 0.000 0.206 258 Q C 2.448 178.532 176.000 0.139 0.000 0.989 258 Q CA 3.080 58.984 55.803 0.169 0.000 0.853 258 Q CB -0.193 28.670 28.738 0.208 0.000 0.907 258 Q HN 0.702 nan 8.270 nan 0.000 0.418 259 K N -0.276 120.222 120.400 0.163 0.000 2.009 259 K HA -0.131 4.191 4.320 0.002 0.000 0.210 259 K C 2.007 178.683 176.600 0.127 0.000 1.049 259 K CA 1.767 58.132 56.287 0.130 0.000 0.929 259 K CB -1.385 31.210 32.500 0.159 0.000 0.714 259 K HN 0.214 nan 8.250 nan 0.000 0.440 260 V N 0.980 121.026 119.914 0.220 0.000 2.261 260 V HA -0.215 3.906 4.120 0.002 0.000 0.246 260 V C 2.949 179.171 176.094 0.214 0.000 1.047 260 V CA 2.044 64.523 62.300 0.299 0.000 1.015 260 V CB -0.932 31.111 31.823 0.367 0.000 0.642 260 V HN 0.701 nan 8.190 nan 0.000 0.446 261 A N -0.620 122.291 122.820 0.152 0.000 1.948 261 A HA -0.199 4.122 4.320 0.002 0.000 0.220 261 A C 2.213 179.866 177.584 0.114 0.000 1.177 261 A CA 1.957 54.055 52.037 0.102 0.000 0.636 261 A CB -0.532 18.509 19.000 0.068 0.000 0.815 261 A HN 0.525 nan 8.150 nan 0.000 0.449 262 L N -0.953 120.305 121.223 0.058 0.000 2.270 262 L HA -0.068 4.274 4.340 0.002 0.000 0.210 262 L C 1.471 178.285 176.870 -0.094 0.000 1.104 262 L CA 0.792 55.635 54.840 0.005 0.000 0.804 262 L CB -0.308 41.747 42.059 -0.006 0.000 0.937 262 L HN 0.301 nan 8.230 nan 0.000 0.450 263 D N -0.198 120.053 120.400 -0.248 0.000 2.277 263 D HA -0.089 4.553 4.640 0.002 0.000 0.208 263 D C 0.567 176.524 176.300 -0.572 0.000 0.962 263 D CA 0.495 54.085 54.000 -0.684 0.000 0.865 263 D CB 0.063 39.910 40.800 -1.588 0.000 0.939 263 D HN 0.073 nan 8.370 nan 0.000 0.510 264 F N 1.623 121.436 119.950 -0.229 0.000 2.506 264 F HA 0.067 4.595 4.527 0.002 0.000 0.369 264 F C 0.729 176.531 175.800 0.002 0.000 1.114 264 F CA 0.471 58.514 58.000 0.071 0.000 1.121 264 F CB 0.139 39.237 39.000 0.163 0.000 1.104 264 F HN -0.047 nan 8.300 nan 0.000 0.564 265 E N 0.885 121.032 120.200 -0.088 0.000 4.233 265 E HA -0.141 4.211 4.350 0.002 0.000 0.422 265 E C 0.210 176.757 176.600 -0.089 0.000 0.504 265 E CA 0.703 57.066 56.400 -0.062 0.000 1.520 265 E CB -1.847 27.843 29.700 -0.015 0.000 2.019 265 E HN 0.254 nan 8.360 nan 0.000 0.262 266 S N -0.214 115.416 115.700 -0.117 0.000 2.562 266 S HA 0.523 4.994 4.470 0.002 0.000 0.246 266 S C -0.053 174.554 174.600 0.012 0.000 1.056 266 S CA 0.566 58.732 58.200 -0.057 0.000 1.042 266 S CB -0.945 62.193 63.200 -0.105 0.000 0.822 266 S HN 0.661 nan 8.310 nan 0.000 0.465 267 N N -0.037 118.589 118.700 -0.123 0.000 2.314 267 N HA 0.721 5.463 4.740 0.002 0.000 0.304 267 N C 1.225 176.613 175.510 -0.204 0.000 1.073 267 N CA -0.272 52.626 53.050 -0.254 0.000 0.822 267 N CB 0.878 38.828 38.487 -0.895 0.000 1.280 267 N HN 0.264 nan 8.380 nan 0.000 0.489 268 A N 0.918 123.651 122.820 -0.146 0.000 1.906 268 A HA -0.072 4.249 4.320 0.002 0.000 0.222 268 A C -0.404 177.159 177.584 -0.035 0.000 1.282 268 A CA 2.489 54.485 52.037 -0.067 0.000 0.675 268 A CB -1.722 17.245 19.000 -0.054 0.000 0.838 268 A HN 0.764 nan 8.150 nan 0.000 0.469 269 P HA 0.508 nan 4.420 nan 0.000 0.273 269 P C -0.708 176.613 177.300 0.034 0.000 1.250 269 P CA 0.228 63.364 63.100 0.061 0.000 0.793 269 P CB 1.029 32.873 31.700 0.240 0.000 1.011 270 D N -2.395 118.029 120.400 0.040 0.000 2.865 270 D HA 0.202 4.843 4.640 0.002 0.000 0.343 270 D C -0.524 175.789 176.300 0.023 0.000 1.372 270 D CA -0.031 53.981 54.000 0.020 0.000 0.862 270 D CB 0.394 41.198 40.800 0.007 0.000 1.425 270 D HN 0.268 nan 8.370 nan 0.000 0.501 271 S N -0.227 115.481 115.700 0.013 0.000 3.350 271 S HA -0.144 4.328 4.470 0.002 0.000 0.341 271 S C 0.218 174.827 174.600 0.016 0.000 1.176 271 S CA 2.283 60.491 58.200 0.012 0.000 0.972 271 S CB -1.572 61.635 63.200 0.012 0.000 0.953 271 S HN 1.877 nan 8.310 nan 0.000 0.565 272 A N -1.337 121.494 122.820 0.018 0.000 3.241 272 A HA -0.056 4.266 4.320 0.002 0.000 0.269 272 A C 0.035 177.643 177.584 0.040 0.000 1.343 272 A CA 0.768 52.817 52.037 0.020 0.000 0.742 272 A CB -1.547 17.462 19.000 0.014 0.000 1.041 272 A HN 0.613 nan 8.150 nan 0.000 0.450 273 M N 1.588 121.228 119.600 0.067 0.000 2.157 273 M HA 0.398 4.879 4.480 0.002 0.000 0.354 273 M C 0.884 177.306 176.300 0.203 0.000 1.170 273 M CA -0.376 54.996 55.300 0.121 0.000 1.060 273 M CB 0.896 33.583 32.600 0.146 0.000 1.615 273 M HN 0.665 nan 8.290 nan 0.000 0.460 274 M N 5.379 125.079 119.600 0.168 0.000 2.286 274 M HA -0.053 4.429 4.480 0.002 0.000 0.365 274 M C 0.253 176.764 176.300 0.351 0.000 1.443 274 M CA 1.425 56.829 55.300 0.173 0.000 0.951 274 M CB -0.295 32.363 32.600 0.096 0.000 1.961 274 M HN 0.793 nan 8.290 nan 0.000 0.468 275 H N 1.899 120.989 119.070 0.034 0.000 3.109 275 H HA -0.097 4.460 4.556 0.003 0.000 0.183 275 H C -1.623 173.740 175.328 0.059 0.000 1.078 275 H CA 0.216 56.292 56.048 0.047 0.000 1.400 275 H CB -0.357 29.442 29.762 0.061 0.000 1.802 275 H HN 0.838 nan 8.280 nan 0.000 0.334 276 Q N -0.370 119.237 119.800 -0.322 0.000 1.633 276 Q HA 0.082 4.423 4.340 0.002 0.000 0.145 276 Q C -0.163 175.738 176.000 -0.166 0.000 0.447 276 Q CA 0.007 55.604 55.803 -0.343 0.000 0.754 276 Q CB 0.989 29.647 28.738 -0.133 0.000 0.819 276 Q HN 0.614 nan 8.270 nan 0.000 0.205 277 Q N 3.616 123.383 119.800 -0.055 0.000 2.269 277 Q HA -0.027 4.315 4.340 0.002 0.000 0.300 277 Q C -0.664 175.298 176.000 -0.064 0.000 1.070 277 Q CA -0.067 55.721 55.803 -0.024 0.000 0.957 277 Q CB 0.493 29.217 28.738 -0.023 0.000 1.131 277 Q HN 0.061 nan 8.270 nan 0.000 0.377 278 K N 2.892 123.236 120.400 -0.094 0.000 2.620 278 K HA -0.250 4.072 4.320 0.002 0.000 0.278 278 K C -0.362 175.877 176.600 -0.601 0.000 0.967 278 K CA 0.550 56.548 56.287 -0.481 0.000 1.017 278 K CB -0.006 32.371 32.500 -0.206 0.000 0.853 278 K HN 0.763 nan 8.250 nan 0.000 0.504 279 Q N 0.772 119.892 119.800 -1.133 0.000 2.293 279 Q HA 0.457 4.798 4.340 0.002 0.000 0.261 279 Q C -0.792 175.005 176.000 -0.339 0.000 0.960 279 Q CA -0.799 54.641 55.803 -0.605 0.000 0.882 279 Q CB 1.582 29.967 28.738 -0.589 0.000 1.275 279 Q HN 0.560 nan 8.270 nan 0.000 0.445 280 V N 0.368 120.194 119.914 -0.147 0.000 3.156 280 V HA 0.762 4.884 4.120 0.002 0.000 0.310 280 V C -2.689 173.385 176.094 -0.034 0.000 1.234 280 V CA -2.360 59.916 62.300 -0.040 0.000 1.065 280 V CB 1.082 32.898 31.823 -0.011 0.000 1.088 280 V HN 0.782 nan 8.190 nan 0.000 0.451 281 P HA 0.417 nan 4.420 nan 0.000 0.274 281 P C -0.913 176.394 177.300 0.013 0.000 1.256 281 P CA -0.407 62.639 63.100 -0.090 0.000 0.795 281 P CB 0.474 32.058 31.700 -0.194 0.000 1.038 282 C N 1.842 121.177 119.300 0.058 0.000 2.271 282 C HA 0.422 4.884 4.460 0.002 0.000 0.323 282 C C 0.090 175.158 174.990 0.130 0.000 1.245 282 C CA -0.496 58.576 59.018 0.090 0.000 1.548 282 C CB -0.937 26.866 27.740 0.106 0.000 2.214 282 C HN 0.343 nan 8.230 nan 0.000 0.477 283 I N 3.739 124.371 120.570 0.102 0.000 2.312 283 I HA 0.290 4.462 4.170 0.002 0.000 0.291 283 I C 0.633 176.798 176.117 0.080 0.000 1.031 283 I CA 0.331 61.694 61.300 0.105 0.000 1.293 283 I CB 0.470 38.528 38.000 0.097 0.000 1.403 283 I HN 0.552 nan 8.210 nan 0.000 0.484 284 T N 4.971 119.580 114.554 0.092 0.000 2.779 284 T HA 0.375 4.727 4.350 0.002 0.000 0.280 284 T C -0.024 174.704 174.700 0.046 0.000 0.987 284 T CA -0.471 61.670 62.100 0.068 0.000 0.966 284 T CB 1.224 70.165 68.868 0.121 0.000 0.933 284 T HN 0.599 nan 8.240 nan 0.000 0.442 285 S N 3.087 118.807 115.700 0.034 0.000 2.707 285 S HA 0.454 4.925 4.470 0.002 0.000 0.303 285 S C 0.143 174.772 174.600 0.048 0.000 1.132 285 S CA -0.739 57.486 58.200 0.041 0.000 1.046 285 S CB 0.628 63.851 63.200 0.037 0.000 1.004 285 S HN 0.573 nan 8.310 nan 0.000 0.483 286 M N 4.904 124.552 119.600 0.079 0.000 2.493 286 M HA 0.393 4.874 4.480 0.002 0.000 0.244 286 M C -0.104 176.266 176.300 0.116 0.000 1.182 286 M CA 0.138 55.495 55.300 0.096 0.000 0.981 286 M CB -0.010 32.673 32.600 0.138 0.000 1.551 286 M HN 0.535 nan 8.290 nan 0.000 0.476 287 L N 0.126 121.417 121.223 0.114 0.000 2.483 287 L HA 0.074 4.415 4.340 0.002 0.000 0.275 287 L C 1.330 178.268 176.870 0.113 0.000 1.220 287 L CA 0.322 55.267 54.840 0.175 0.000 0.833 287 L CB 0.371 42.547 42.059 0.194 0.000 1.102 287 L HN 0.397 nan 8.230 nan 0.000 0.490 288 T N -1.698 112.918 114.554 0.104 0.000 3.044 288 T HA 0.283 4.634 4.350 0.002 0.000 0.260 288 T C 0.643 175.222 174.700 -0.202 0.000 1.019 288 T CA -0.326 61.749 62.100 -0.042 0.000 0.921 288 T CB 0.379 69.224 68.868 -0.039 0.000 1.053 288 T HN 0.525 nan 8.240 nan 0.000 0.533 289 R N 0.065 120.366 120.500 -0.332 0.000 2.836 289 R HA 0.587 4.929 4.340 0.002 0.000 0.269 289 R C -1.299 174.858 176.300 -0.238 0.000 1.010 289 R CA -1.143 54.647 56.100 -0.516 0.000 0.930 289 R CB 1.238 30.859 30.300 -1.131 0.000 1.218 289 R HN 0.033 nan 8.270 nan 0.000 0.473 290 L N 2.275 123.342 121.223 -0.261 0.000 2.410 290 L HA 0.181 4.522 4.340 0.002 0.000 0.273 290 L C -0.301 176.677 176.870 0.179 0.000 1.152 290 L CA 0.035 54.822 54.840 -0.089 0.000 0.855 290 L CB 0.302 42.188 42.059 -0.287 0.000 1.129 290 L HN 0.411 nan 8.230 nan 0.000 0.463 291 L N 5.797 127.138 121.223 0.197 0.000 2.283 291 L HA 0.430 4.771 4.340 0.002 0.000 0.281 291 L C -0.493 176.353 176.870 -0.040 0.000 1.033 291 L CA -0.125 54.799 54.840 0.140 0.000 0.848 291 L CB 1.217 43.258 42.059 -0.029 0.000 1.226 291 L HN 0.267 nan 8.230 nan 0.000 0.429 292 V N 5.640 125.562 119.914 0.013 0.000 2.409 292 V HA 0.403 4.525 4.120 0.002 0.000 0.291 292 V C 0.357 176.410 176.094 -0.068 0.000 1.020 292 V CA -0.715 61.559 62.300 -0.042 0.000 0.848 292 V CB 0.985 32.817 31.823 0.015 0.000 0.990 292 V HN 0.441 nan 8.190 nan 0.000 0.430 293 F N 0.000 119.981 119.950 0.051 0.000 2.286 293 F HA 0.000 4.528 4.527 0.002 0.000 0.279 293 F CA 0.000 58.004 58.000 0.007 0.000 1.383 293 F CB 0.000 39.011 39.000 0.018 0.000 1.145 293 F HN 0.000 nan 8.300 nan 0.000 0.574