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 2oym_1_A DATA FIRST_RESID 43 DATA SEQUENCE PSYLKDDDGR SLILRGFNTA SSAKSAPDGM PQFTEADLAR EYADMGTNFV DATA SEQUENCE RFLISWRSVE PAPGVYDQQY LDRVEDRVGW YAERGYKVML DMHQDVYSGA DATA SEQUENCE ITXXXXXXXX XXAIGNGAPA WATYMDGLPV EPQPRWELYY IQPGVMRAFD DATA SEQUENCE NFWNTTGKHP ELVEHYAKAW RAVADRFADN DAVVAYDLMN EPFGGSLQGP DATA SEQUENCE AFEAGPLAAM YQRTTDAIRQ VDQDTWVCVA PQAIGVNQGL PSGLTKIDDP DATA SEQUENCE RAGQQRIAYC PHLYPLPLDX XXXHEGLART LTDVTIDAWR ANTAHTARVL DATA SEQUENCE GDVPIILGEF GLDTTLPGAR DYIERVYGTA REMGAGVSYW SSDPGPWGPY DATA SEQUENCE LPDGTQTLLV DTLNKPYPRA VAGTPTEWSS TSDRLQLTIE PDAAITAPTE DATA SEQUENCE IYLPEAGFPG DVHVEGADVV GWDRQSRLLT VRTPADSGNV TVTVTPAA 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 43 P HA 0.000 nan 4.420 nan 0.000 0.216 43 P C 0.000 177.253 177.300 -0.079 0.000 1.155 43 P CA 0.000 63.051 63.100 -0.082 0.000 0.800 43 P CB 0.000 31.602 31.700 -0.162 0.000 0.726 44 S N 0.414 116.008 115.700 -0.177 0.000 2.608 44 S HA 0.784 5.255 4.470 0.001 0.000 0.291 44 S C -1.100 173.310 174.600 -0.317 0.000 1.146 44 S CA -0.482 57.666 58.200 -0.086 0.000 1.043 44 S CB 0.606 63.793 63.200 -0.021 0.000 1.037 44 S HN 0.344 nan 8.310 nan 0.000 0.520 45 Y N 0.435 120.712 120.300 -0.039 0.000 2.499 45 Y HA 0.501 5.052 4.550 0.001 0.000 0.347 45 Y C -0.299 175.462 175.900 -0.233 0.000 0.987 45 Y CA -1.106 56.921 58.100 -0.121 0.000 1.044 45 Y CB 0.752 39.160 38.460 -0.087 0.000 1.245 45 Y HN 0.381 nan 8.280 nan 0.000 0.461 46 L N 3.495 124.504 121.223 -0.357 0.000 2.467 46 L HA 0.212 4.553 4.340 0.001 0.000 0.270 46 L C -0.241 176.406 176.870 -0.372 0.000 1.205 46 L CA 0.143 54.446 54.840 -0.895 0.000 0.828 46 L CB 0.132 41.523 42.059 -1.114 0.000 1.101 46 L HN 0.448 nan 8.230 nan 0.000 0.479 47 K N 0.834 121.068 120.400 -0.276 0.000 2.375 47 K HA 0.401 4.722 4.320 0.001 0.000 0.249 47 K C -0.991 175.653 176.600 0.072 0.000 0.942 47 K CA -0.928 55.367 56.287 0.014 0.000 0.806 47 K CB 1.751 34.349 32.500 0.163 0.000 1.227 47 K HN 0.611 nan 8.250 nan 0.000 0.430 48 D N -0.318 120.111 120.400 0.049 0.000 2.447 48 D HA 0.062 4.703 4.640 0.001 0.000 0.265 48 D C 0.275 176.630 176.300 0.092 0.000 1.250 48 D CA -0.162 53.881 54.000 0.072 0.000 1.046 48 D CB 0.498 41.321 40.800 0.038 0.000 1.095 48 D HN 0.272 nan 8.370 nan 0.000 0.555 49 D N -1.110 119.338 120.400 0.079 0.000 2.350 49 D HA -0.082 4.559 4.640 0.001 0.000 0.216 49 D C 0.453 176.783 176.300 0.049 0.000 0.968 49 D CA 0.703 54.744 54.000 0.069 0.000 0.894 49 D CB -0.045 40.791 40.800 0.060 0.000 0.909 49 D HN 0.400 nan 8.370 nan 0.000 0.520 50 D N -0.572 119.852 120.400 0.039 0.000 2.339 50 D HA 0.095 4.736 4.640 0.001 0.000 0.217 50 D C 1.506 177.820 176.300 0.023 0.000 1.050 50 D CA 0.443 54.458 54.000 0.025 0.000 0.856 50 D CB 0.840 41.648 40.800 0.013 0.000 0.922 50 D HN 0.228 nan 8.370 nan 0.000 0.518 51 G N 1.855 110.678 108.800 0.038 0.000 2.159 51 G HA2 -0.321 3.640 3.960 0.001 0.000 0.256 51 G HA3 -0.321 3.640 3.960 0.001 0.000 0.256 51 G C 0.369 175.278 174.900 0.015 0.000 0.977 51 G CA -0.254 44.869 45.100 0.040 0.000 0.652 51 G HN 0.277 nan 8.290 nan 0.000 0.531 52 R N 0.621 121.119 120.500 -0.004 0.000 2.490 52 R HA 0.472 4.813 4.340 0.001 0.000 0.280 52 R C 0.197 176.462 176.300 -0.058 0.000 1.077 52 R CA 0.075 56.149 56.100 -0.042 0.000 1.065 52 R CB 0.691 30.960 30.300 -0.051 0.000 1.003 52 R HN 0.195 nan 8.270 nan 0.000 0.470 53 S N 2.999 118.627 115.700 -0.120 0.000 2.499 53 S HA 0.216 4.687 4.470 0.001 0.000 0.275 53 S C 0.055 174.553 174.600 -0.170 0.000 1.257 53 S CA -0.572 57.525 58.200 -0.171 0.000 1.050 53 S CB 0.435 63.398 63.200 -0.394 0.000 0.937 53 S HN 0.304 nan 8.310 nan 0.000 0.490 54 L N 4.216 125.395 121.223 -0.073 0.000 2.276 54 L HA 0.485 4.826 4.340 0.001 0.000 0.286 54 L C -0.357 176.536 176.870 0.038 0.000 1.061 54 L CA -0.289 54.521 54.840 -0.050 0.000 0.807 54 L CB 0.680 42.686 42.059 -0.087 0.000 1.177 54 L HN 0.531 nan 8.230 nan 0.000 0.429 55 I N 5.031 125.621 120.570 0.033 0.000 2.328 55 I HA 0.303 4.474 4.170 0.001 0.000 0.287 55 I C -0.491 175.692 176.117 0.109 0.000 1.012 55 I CA -0.259 61.116 61.300 0.124 0.000 1.195 55 I CB 1.151 39.229 38.000 0.130 0.000 1.350 55 I HN 0.389 nan 8.210 nan 0.000 0.464 56 L N 7.251 128.463 121.223 -0.020 0.000 2.296 56 L HA 0.578 4.919 4.340 0.001 0.000 0.286 56 L C -0.246 176.599 176.870 -0.043 0.000 1.023 56 L CA -0.689 54.063 54.840 -0.145 0.000 0.812 56 L CB 0.853 42.491 42.059 -0.702 0.000 1.223 56 L HN 0.456 nan 8.230 nan 0.000 0.421 57 R N 2.900 123.445 120.500 0.075 0.000 2.502 57 R HA 0.768 5.109 4.340 0.001 0.000 0.298 57 R C -0.265 176.138 176.300 0.173 0.000 1.018 57 R CA -0.533 55.583 56.100 0.027 0.000 0.899 57 R CB 1.920 31.968 30.300 -0.421 0.000 1.181 57 R HN 0.861 nan 8.270 nan 0.000 0.444 58 G N 1.558 110.476 108.800 0.198 0.000 2.474 58 G HA2 0.492 4.452 3.960 0.001 0.000 0.234 58 G HA3 0.492 4.452 3.960 0.001 0.000 0.234 58 G C -1.713 173.100 174.900 -0.144 0.000 1.204 58 G CA -0.412 44.777 45.100 0.148 0.000 0.939 58 G HN 0.199 nan 8.290 nan 0.000 0.491 59 F N 0.503 120.575 119.950 0.204 0.000 2.593 59 F HA 0.496 5.024 4.527 0.001 0.000 0.320 59 F C 0.341 176.137 175.800 -0.007 0.000 1.060 59 F CA -0.944 57.136 58.000 0.133 0.000 0.940 59 F CB 2.082 41.138 39.000 0.092 0.000 1.268 59 F HN 0.141 nan 8.300 nan 0.000 0.475 60 N N 1.078 119.886 118.700 0.179 0.000 2.442 60 N HA 0.210 4.950 4.740 0.001 0.000 0.265 60 N C -1.059 174.325 175.510 -0.210 0.000 1.138 60 N CA 0.350 53.391 53.050 -0.016 0.000 0.956 60 N CB 1.083 39.589 38.487 0.031 0.000 1.067 60 N HN 0.485 nan 8.380 nan 0.000 0.474 61 T N 1.429 115.800 114.554 -0.305 0.000 2.930 61 T HA 0.603 4.954 4.350 0.001 0.000 0.313 61 T C -0.635 173.688 174.700 -0.629 0.000 1.019 61 T CA -0.568 61.240 62.100 -0.485 0.000 1.004 61 T CB 1.196 69.714 68.868 -0.583 0.000 0.987 61 T HN 0.596 nan 8.240 nan 0.000 0.456 62 A N 1.617 124.095 122.820 -0.569 0.000 2.606 62 A HA 0.769 5.089 4.320 0.001 0.000 0.293 62 A C 1.165 178.487 177.584 -0.437 0.000 1.082 62 A CA -0.536 51.211 52.037 -0.483 0.000 0.685 62 A CB 1.121 19.908 19.000 -0.354 0.000 1.284 62 A HN 0.523 nan 8.150 nan 0.000 0.408 63 S N 0.230 115.639 115.700 -0.484 0.000 2.387 63 S HA -0.188 4.283 4.470 0.001 0.000 0.230 63 S C 2.080 176.554 174.600 -0.209 0.000 1.035 63 S CA 2.811 60.832 58.200 -0.299 0.000 1.014 63 S CB -0.500 62.545 63.200 -0.259 0.000 0.836 63 S HN 1.738 nan 8.310 nan 0.000 0.466 64 S N 1.182 116.764 115.700 -0.197 0.000 2.440 64 S HA 0.011 4.482 4.470 0.001 0.000 0.238 64 S C 1.915 176.445 174.600 -0.117 0.000 1.010 64 S CA 1.012 59.134 58.200 -0.131 0.000 0.972 64 S CB -0.683 62.464 63.200 -0.089 0.000 0.774 64 S HN 0.647 nan 8.310 nan 0.000 0.501 65 A N 2.132 124.858 122.820 -0.157 0.000 1.969 65 A HA 0.011 4.331 4.320 0.001 0.000 0.218 65 A C 2.187 179.705 177.584 -0.110 0.000 1.169 65 A CA 1.302 53.259 52.037 -0.132 0.000 0.635 65 A CB -0.574 18.299 19.000 -0.212 0.000 0.810 65 A HN 0.573 nan 8.150 nan 0.000 0.445 66 K N -0.110 120.213 120.400 -0.128 0.000 2.107 66 K HA -0.141 4.179 4.320 0.001 0.000 0.211 66 K C 1.130 177.673 176.600 -0.096 0.000 1.049 66 K CA 1.811 58.039 56.287 -0.098 0.000 0.927 66 K CB -0.140 32.301 32.500 -0.098 0.000 0.714 66 K HN 0.431 nan 8.250 nan 0.000 0.452 67 S N -0.750 114.891 115.700 -0.099 0.000 2.730 67 S HA 0.260 4.730 4.470 0.001 0.000 0.244 67 S C -0.304 174.250 174.600 -0.077 0.000 1.022 67 S CA -0.508 57.635 58.200 -0.096 0.000 1.014 67 S CB 1.284 64.421 63.200 -0.106 0.000 0.963 67 S HN 0.322 nan 8.310 nan 0.000 0.540 68 A N 3.125 125.907 122.820 -0.063 0.000 2.522 68 A HA 0.388 4.709 4.320 0.001 0.000 0.256 68 A C -1.213 176.349 177.584 -0.036 0.000 1.086 68 A CA -0.982 51.032 52.037 -0.038 0.000 0.763 68 A CB -0.043 18.948 19.000 -0.014 0.000 1.024 68 A HN 0.105 nan 8.150 nan 0.000 0.502 69 P HA -0.216 nan 4.420 nan 0.000 0.216 69 P C 0.764 178.052 177.300 -0.019 0.000 1.154 69 P CA 1.902 64.982 63.100 -0.033 0.000 0.865 69 P CB 0.100 31.786 31.700 -0.022 0.000 0.789 70 D N -2.220 118.190 120.400 0.016 0.000 2.340 70 D HA 0.083 4.724 4.640 0.001 0.000 0.220 70 D C 1.341 177.713 176.300 0.121 0.000 1.039 70 D CA 0.561 54.599 54.000 0.063 0.000 0.866 70 D CB -0.947 39.903 40.800 0.083 0.000 0.913 70 D HN 0.246 nan 8.370 nan 0.000 0.523 71 G N 0.073 108.909 108.800 0.059 0.000 2.162 71 G HA2 -0.262 3.699 3.960 0.001 0.000 0.260 71 G HA3 -0.262 3.699 3.960 0.001 0.000 0.260 71 G C 0.101 175.119 174.900 0.196 0.000 0.976 71 G CA 0.626 45.782 45.100 0.092 0.000 0.655 71 G HN 0.269 nan 8.290 nan 0.000 0.533 72 M N 0.990 120.678 119.600 0.147 0.000 2.423 72 M HA 0.492 4.973 4.480 0.001 0.000 0.335 72 M C -2.105 174.227 176.300 0.055 0.000 1.177 72 M CA -3.391 51.990 55.300 0.134 0.000 1.038 72 M CB 0.757 33.449 32.600 0.153 0.000 1.641 72 M HN -0.010 nan 8.290 nan 0.000 0.455 73 P HA 0.160 nan 4.420 nan 0.000 0.274 73 P C -1.034 176.334 177.300 0.112 0.000 1.237 73 P CA -0.303 62.792 63.100 -0.008 0.000 0.793 73 P CB 0.425 32.060 31.700 -0.108 0.000 0.977 74 Q N 1.097 120.948 119.800 0.086 0.000 2.664 74 Q HA 0.352 4.693 4.340 0.001 0.000 0.223 74 Q C -1.043 175.085 176.000 0.214 0.000 1.298 74 Q CA 0.257 56.127 55.803 0.112 0.000 0.965 74 Q CB -0.563 28.202 28.738 0.045 0.000 1.510 74 Q HN 0.374 nan 8.270 nan 0.000 0.567 75 F N 0.867 120.867 119.950 0.083 0.000 2.651 75 F HA 0.238 4.766 4.527 0.001 0.000 0.329 75 F C -0.462 175.478 175.800 0.232 0.000 1.186 75 F CA -0.562 57.507 58.000 0.114 0.000 1.046 75 F CB 1.386 40.472 39.000 0.143 0.000 1.296 75 F HN 0.218 nan 8.300 nan 0.000 0.497 76 T N 0.523 114.873 114.554 -0.341 0.000 2.937 76 T HA 0.340 4.691 4.350 0.001 0.000 0.283 76 T C 0.841 174.999 174.700 -0.903 0.000 1.012 76 T CA -0.273 61.573 62.100 -0.424 0.000 0.997 76 T CB 1.746 70.385 68.868 -0.381 0.000 1.136 76 T HN 0.783 nan 8.240 nan 0.000 0.551 77 E N 0.155 119.542 120.200 -1.356 0.000 2.110 77 E HA -0.080 4.270 4.350 0.001 0.000 0.193 77 E C 2.296 178.471 176.600 -0.709 0.000 0.988 77 E CA 1.185 56.802 56.400 -1.304 0.000 0.804 77 E CB -0.588 28.246 29.700 -1.443 0.000 0.745 77 E HN 0.764 nan 8.360 nan 0.000 0.458 78 A N 1.145 123.624 122.820 -0.568 0.000 1.933 78 A HA -0.222 4.099 4.320 0.001 0.000 0.218 78 A C 1.762 179.094 177.584 -0.420 0.000 1.175 78 A CA 1.836 53.632 52.037 -0.402 0.000 0.628 78 A CB -0.471 18.337 19.000 -0.320 0.000 0.814 78 A HN 0.270 nan 8.150 nan 0.000 0.444 79 D N -0.452 119.595 120.400 -0.588 0.000 2.117 79 D HA -0.125 4.516 4.640 0.001 0.000 0.197 79 D C 1.837 177.812 176.300 -0.540 0.000 0.987 79 D CA 1.230 54.825 54.000 -0.675 0.000 0.829 79 D CB -0.387 39.751 40.800 -1.104 0.000 0.961 79 D HN 0.358 nan 8.370 nan 0.000 0.460 80 L N 1.131 122.002 121.223 -0.588 0.000 2.046 80 L HA -0.046 4.295 4.340 0.001 0.000 0.208 80 L C 2.165 179.017 176.870 -0.030 0.000 1.077 80 L CA 1.660 56.406 54.840 -0.155 0.000 0.747 80 L CB -0.912 41.009 42.059 -0.230 0.000 0.896 80 L HN -0.037 nan 8.230 nan 0.000 0.432 81 A N -0.304 122.440 122.820 -0.127 0.000 1.917 81 A HA -0.292 4.029 4.320 0.001 0.000 0.219 81 A C 2.567 180.180 177.584 0.048 0.000 1.182 81 A CA 2.051 54.078 52.037 -0.017 0.000 0.633 81 A CB -0.702 18.237 19.000 -0.102 0.000 0.819 81 A HN 0.531 nan 8.150 nan 0.000 0.448 82 R N -0.341 120.130 120.500 -0.048 0.000 2.073 82 R HA -0.177 4.163 4.340 0.001 0.000 0.234 82 R C 2.259 178.629 176.300 0.116 0.000 1.134 82 R CA 1.764 57.844 56.100 -0.033 0.000 0.952 82 R CB -0.355 29.812 30.300 -0.222 0.000 0.850 82 R HN 0.729 nan 8.270 nan 0.000 0.433 83 E N -0.652 119.653 120.200 0.175 0.000 2.070 83 E HA -0.281 4.070 4.350 0.001 0.000 0.197 83 E C 1.798 178.600 176.600 0.338 0.000 1.004 83 E CA 1.619 58.217 56.400 0.330 0.000 0.805 83 E CB -0.301 29.640 29.700 0.402 0.000 0.744 83 E HN 0.437 nan 8.360 nan 0.000 0.451 84 Y N 0.550 121.008 120.300 0.264 0.000 2.145 84 Y HA -0.159 4.392 4.550 0.001 0.000 0.286 84 Y C 2.103 178.101 175.900 0.163 0.000 1.145 84 Y CA 1.707 59.958 58.100 0.251 0.000 1.148 84 Y CB -0.589 38.042 38.460 0.284 0.000 0.981 84 Y HN 0.157 nan 8.280 nan 0.000 0.507 85 A N -0.277 122.621 122.820 0.130 0.000 1.933 85 A HA -0.173 4.148 4.320 0.001 0.000 0.218 85 A C 1.764 179.378 177.584 0.051 0.000 1.175 85 A CA 2.105 54.182 52.037 0.065 0.000 0.628 85 A CB -0.612 18.447 19.000 0.099 0.000 0.814 85 A HN 0.515 nan 8.150 nan 0.000 0.444 86 D N -1.706 118.752 120.400 0.097 0.000 2.271 86 D HA 0.131 4.772 4.640 0.001 0.000 0.206 86 D C 1.604 177.964 176.300 0.099 0.000 0.967 86 D CA 0.972 55.048 54.000 0.127 0.000 0.867 86 D CB 0.146 41.076 40.800 0.216 0.000 0.960 86 D HN 0.475 nan 8.370 nan 0.000 0.509 87 M N -1.757 117.871 119.600 0.046 0.000 2.211 87 M HA 0.224 4.705 4.480 0.001 0.000 0.338 87 M C 0.742 176.874 176.300 -0.280 0.000 0.893 87 M CA 0.185 55.487 55.300 0.003 0.000 1.096 87 M CB 2.118 34.788 32.600 0.116 0.000 1.923 87 M HN -0.022 nan 8.290 nan 0.000 0.656 88 G N 3.144 111.606 108.800 -0.563 0.000 2.305 88 G HA2 -0.254 3.706 3.960 0.001 0.000 0.287 88 G HA3 -0.254 3.706 3.960 0.001 0.000 0.287 88 G C 0.178 174.787 174.900 -0.485 0.000 1.036 88 G CA 0.594 44.992 45.100 -1.170 0.000 0.887 88 G HN 0.534 nan 8.290 nan 0.000 0.505 89 T N -1.770 112.764 114.554 -0.035 0.000 2.856 89 T HA 0.442 4.793 4.350 0.001 0.000 0.306 89 T C 1.046 175.691 174.700 -0.091 0.000 1.062 89 T CA 0.309 62.488 62.100 0.132 0.000 1.083 89 T CB 1.425 70.540 68.868 0.410 0.000 0.984 89 T HN 0.806 nan 8.240 nan 0.000 0.542 90 N N -0.427 118.263 118.700 -0.016 0.000 2.184 90 N HA 0.169 4.910 4.740 0.001 0.000 0.234 90 N C -0.891 174.740 175.510 0.202 0.000 1.282 90 N CA -0.580 52.361 53.050 -0.183 0.000 0.877 90 N CB 0.230 38.761 38.487 0.075 0.000 1.184 90 N HN 0.574 nan 8.380 nan 0.000 0.510 91 F N 0.381 120.483 119.950 0.253 0.000 2.601 91 F HA 0.711 5.239 4.527 0.001 0.000 0.309 91 F C -1.659 174.357 175.800 0.359 0.000 1.089 91 F CA -1.257 56.911 58.000 0.281 0.000 0.940 91 F CB 1.984 41.074 39.000 0.150 0.000 1.273 91 F HN -0.178 nan 8.300 nan 0.000 0.450 92 V N 5.777 125.355 119.914 -0.559 0.000 2.808 92 V HA 0.559 4.680 4.120 0.001 0.000 0.308 92 V C -1.384 174.122 176.094 -0.980 0.000 1.099 92 V CA -0.756 61.160 62.300 -0.639 0.000 0.920 92 V CB 2.034 33.437 31.823 -0.699 0.000 1.014 92 V HN 0.866 nan 8.190 nan 0.000 0.425 93 R N 5.237 125.376 120.500 -0.601 0.000 2.204 93 R HA 0.391 4.732 4.340 0.001 0.000 0.341 93 R C -1.500 174.726 176.300 -0.124 0.000 1.035 93 R CA -0.404 55.530 56.100 -0.276 0.000 0.887 93 R CB 0.581 30.863 30.300 -0.030 0.000 1.114 93 R HN 0.645 nan 8.270 nan 0.000 0.473 94 F N 5.713 125.522 119.950 -0.235 0.000 2.391 94 F HA 0.311 4.839 4.527 0.001 0.000 0.359 94 F C -0.809 174.945 175.800 -0.078 0.000 1.122 94 F CA -0.941 56.931 58.000 -0.213 0.000 1.120 94 F CB 0.710 39.533 39.000 -0.295 0.000 1.142 94 F HN 0.380 nan 8.300 nan 0.000 0.483 95 L N 7.892 128.836 121.223 -0.466 0.000 2.418 95 L HA 0.250 4.591 4.340 0.001 0.000 0.274 95 L C 0.248 177.035 176.870 -0.138 0.000 1.135 95 L CA 0.369 55.068 54.840 -0.235 0.000 0.870 95 L CB 0.059 41.911 42.059 -0.345 0.000 1.154 95 L HN 0.522 nan 8.230 nan 0.000 0.462 96 I N -0.044 120.587 120.570 0.101 0.000 3.133 96 I HA 0.935 5.106 4.170 0.001 0.000 0.311 96 I C -0.262 175.934 176.117 0.131 0.000 1.072 96 I CA -0.670 60.748 61.300 0.196 0.000 1.015 96 I CB 2.388 40.516 38.000 0.213 0.000 1.233 96 I HN 0.545 nan 8.210 nan 0.000 0.473 97 S N 0.632 116.392 115.700 0.100 0.000 2.540 97 S HA 0.252 4.723 4.470 0.001 0.000 0.275 97 S C -0.264 174.341 174.600 0.008 0.000 1.123 97 S CA -0.739 57.474 58.200 0.023 0.000 0.907 97 S CB 1.508 64.684 63.200 -0.040 0.000 1.081 97 S HN 0.988 nan 8.310 nan 0.000 0.476 98 W N 3.728 124.914 121.300 -0.190 0.000 2.358 98 W HA -0.144 4.517 4.660 0.001 0.000 0.303 98 W C 2.162 178.578 176.519 -0.173 0.000 1.208 98 W CA 1.667 58.895 57.345 -0.194 0.000 1.274 98 W CB -0.630 28.731 29.460 -0.164 0.000 1.138 98 W HN 0.957 nan 8.180 nan 0.000 0.515 99 R N -0.121 120.262 120.500 -0.194 0.000 2.127 99 R HA -0.103 4.237 4.340 0.001 0.000 0.238 99 R C 1.983 178.137 176.300 -0.244 0.000 1.134 99 R CA 2.246 58.155 56.100 -0.318 0.000 0.975 99 R CB -1.408 28.700 30.300 -0.321 0.000 0.865 99 R HN -0.019 nan 8.270 nan 0.000 0.447 100 S N 0.009 115.508 115.700 -0.336 0.000 2.406 100 S HA 0.077 4.548 4.470 0.001 0.000 0.224 100 S C 1.889 176.223 174.600 -0.444 0.000 1.030 100 S CA 0.701 58.521 58.200 -0.633 0.000 0.958 100 S CB 0.042 62.406 63.200 -1.393 0.000 0.811 100 S HN 0.127 nan 8.310 nan 0.000 0.489 101 V N 1.127 120.963 119.914 -0.131 0.000 2.307 101 V HA -0.016 4.104 4.120 0.001 0.000 0.245 101 V C 1.222 177.511 176.094 0.324 0.000 1.045 101 V CA 1.243 63.668 62.300 0.208 0.000 1.024 101 V CB -0.210 31.735 31.823 0.202 0.000 0.651 101 V HN 0.433 nan 8.190 nan 0.000 0.449 102 E N 0.467 120.857 120.200 0.317 0.000 3.037 102 E HA 0.195 4.546 4.350 0.001 0.000 0.220 102 E C -1.973 174.790 176.600 0.270 0.000 1.142 102 E CA -1.666 54.965 56.400 0.384 0.000 0.888 102 E CB 1.481 31.598 29.700 0.695 0.000 1.329 102 E HN 0.299 nan 8.360 nan 0.000 0.409 103 P HA 0.001 nan 4.420 nan 0.000 0.226 103 P C -0.057 177.325 177.300 0.137 0.000 1.153 103 P CA 0.523 63.689 63.100 0.111 0.000 0.777 103 P CB 0.412 32.123 31.700 0.019 0.000 0.794 104 A N -0.494 122.297 122.820 -0.049 0.000 2.498 104 A HA 0.647 4.968 4.320 0.001 0.000 0.298 104 A C -2.947 174.202 177.584 -0.725 0.000 1.075 104 A CA -2.158 49.599 52.037 -0.466 0.000 0.714 104 A CB 0.660 19.473 19.000 -0.312 0.000 1.299 104 A HN -0.241 nan 8.150 nan 0.000 0.407 105 P HA 0.190 nan 4.420 nan 0.000 0.256 105 P C 1.050 178.133 177.300 -0.361 0.000 1.173 105 P CA 2.281 64.721 63.100 -1.101 0.000 0.768 105 P CB 0.263 31.342 31.700 -1.034 0.000 0.758 106 G N 1.896 110.616 108.800 -0.133 0.000 2.168 106 G HA2 -0.219 3.742 3.960 0.001 0.000 0.263 106 G HA3 -0.219 3.742 3.960 0.001 0.000 0.263 106 G C -0.028 174.532 174.900 -0.567 0.000 0.977 106 G CA -0.083 44.860 45.100 -0.262 0.000 0.659 106 G HN 0.533 nan 8.290 nan 0.000 0.533 107 V N 1.194 120.777 119.914 -0.552 0.000 2.350 107 V HA 0.587 4.708 4.120 0.001 0.000 0.285 107 V C -0.422 175.440 176.094 -0.387 0.000 1.014 107 V CA -1.133 60.915 62.300 -0.419 0.000 0.831 107 V CB 0.896 32.586 31.823 -0.222 0.000 1.000 107 V HN 0.242 nan 8.190 nan 0.000 0.433 108 Y N 1.798 122.143 120.300 0.075 0.000 2.342 108 Y HA 0.454 5.005 4.550 0.001 0.000 0.334 108 Y C 0.451 176.402 175.900 0.085 0.000 1.067 108 Y CA -1.496 56.663 58.100 0.098 0.000 1.128 108 Y CB 0.915 39.435 38.460 0.100 0.000 1.200 108 Y HN 0.520 nan 8.280 nan 0.000 0.464 109 D N 2.732 123.289 120.400 0.262 0.000 2.422 109 D HA 0.059 4.700 4.640 0.001 0.000 0.227 109 D C 0.541 176.967 176.300 0.210 0.000 1.190 109 D CA 0.015 54.133 54.000 0.195 0.000 0.905 109 D CB 0.804 41.709 40.800 0.176 0.000 1.034 109 D HN 0.528 nan 8.370 nan 0.000 0.507 110 Q N 2.394 122.280 119.800 0.143 0.000 2.297 110 Q HA -0.122 4.218 4.340 0.001 0.000 0.204 110 Q C 1.371 177.411 176.000 0.068 0.000 0.962 110 Q CA 0.996 56.853 55.803 0.091 0.000 0.879 110 Q CB 0.162 28.935 28.738 0.058 0.000 0.947 110 Q HN 0.548 nan 8.270 nan 0.000 0.462 111 Q N -0.745 119.109 119.800 0.090 0.000 2.123 111 Q HA -0.114 4.226 4.340 0.001 0.000 0.199 111 Q C 1.679 177.744 176.000 0.107 0.000 0.966 111 Q CA 0.930 56.778 55.803 0.076 0.000 0.845 111 Q CB -0.422 28.360 28.738 0.074 0.000 0.907 111 Q HN 0.427 nan 8.270 nan 0.000 0.439 112 Y N 0.667 120.993 120.300 0.044 0.000 2.145 112 Y HA -0.182 4.369 4.550 0.001 0.000 0.286 112 Y C 1.525 177.466 175.900 0.067 0.000 1.145 112 Y CA 1.400 59.533 58.100 0.054 0.000 1.148 112 Y CB -0.252 38.244 38.460 0.061 0.000 0.981 112 Y HN 0.046 nan 8.280 nan 0.000 0.507 113 L N -0.070 121.101 121.223 -0.087 0.000 2.083 113 L HA -0.234 4.107 4.340 0.001 0.000 0.209 113 L C 2.105 178.894 176.870 -0.135 0.000 1.083 113 L CA 1.461 56.217 54.840 -0.140 0.000 0.752 113 L CB -0.697 41.342 42.059 -0.033 0.000 0.899 113 L HN 0.210 nan 8.230 nan 0.000 0.433 114 D N 0.172 120.516 120.400 -0.093 0.000 2.104 114 D HA -0.177 4.463 4.640 0.001 0.000 0.194 114 D C 2.338 178.580 176.300 -0.097 0.000 0.994 114 D CA 1.230 55.181 54.000 -0.082 0.000 0.830 114 D CB -0.142 40.636 40.800 -0.038 0.000 0.959 114 D HN 0.280 nan 8.370 nan 0.000 0.452 115 R N 0.330 120.763 120.500 -0.111 0.000 2.081 115 R HA -0.063 4.278 4.340 0.001 0.000 0.235 115 R C 2.463 178.639 176.300 -0.206 0.000 1.131 115 R CA 0.712 56.740 56.100 -0.120 0.000 0.960 115 R CB -0.457 29.816 30.300 -0.045 0.000 0.856 115 R HN 0.105 nan 8.270 nan 0.000 0.436 116 V N 1.204 120.950 119.914 -0.281 0.000 2.295 116 V HA -0.259 3.862 4.120 0.001 0.000 0.246 116 V C 2.280 178.264 176.094 -0.184 0.000 1.049 116 V CA 1.963 64.097 62.300 -0.277 0.000 1.024 116 V CB -0.529 31.138 31.823 -0.260 0.000 0.648 116 V HN 0.392 nan 8.190 nan 0.000 0.447 117 E N -0.004 120.214 120.200 0.031 0.000 2.118 117 E HA -0.275 4.076 4.350 0.001 0.000 0.195 117 E C 1.859 178.401 176.600 -0.097 0.000 0.992 117 E CA 1.559 58.010 56.400 0.085 0.000 0.804 117 E CB -0.063 29.610 29.700 -0.045 0.000 0.741 117 E HN 0.623 nan 8.360 nan 0.000 0.458 118 D N -0.047 120.241 120.400 -0.187 0.000 2.097 118 D HA -0.145 4.495 4.640 0.001 0.000 0.195 118 D C 2.039 177.942 176.300 -0.662 0.000 0.989 118 D CA 0.907 54.747 54.000 -0.266 0.000 0.827 118 D CB -0.150 40.540 40.800 -0.185 0.000 0.966 118 D HN 0.018 nan 8.370 nan 0.000 0.456 119 R N 0.398 120.395 120.500 -0.839 0.000 2.073 119 R HA -0.041 4.299 4.340 0.001 0.000 0.234 119 R C 2.434 178.389 176.300 -0.575 0.000 1.134 119 R CA 0.348 55.748 56.100 -1.167 0.000 0.952 119 R CB -1.006 28.777 30.300 -0.861 0.000 0.850 119 R HN 0.085 nan 8.270 nan 0.000 0.433 120 V N 0.121 119.780 119.914 -0.424 0.000 2.392 120 V HA -0.214 3.907 4.120 0.001 0.000 0.249 120 V C 2.259 178.359 176.094 0.010 0.000 1.059 120 V CA 2.131 64.332 62.300 -0.164 0.000 1.051 120 V CB -1.185 30.550 31.823 -0.147 0.000 0.658 120 V HN 0.559 nan 8.190 nan 0.000 0.455 121 G N -0.828 107.945 108.800 -0.046 0.000 2.440 121 G HA2 -0.252 3.709 3.960 0.001 0.000 0.218 121 G HA3 -0.252 3.709 3.960 0.001 0.000 0.218 121 G C 1.213 176.221 174.900 0.181 0.000 1.154 121 G CA 0.912 46.049 45.100 0.062 0.000 0.767 121 G HN 0.533 nan 8.290 nan 0.000 0.552 122 W N 0.253 121.527 121.300 -0.043 0.000 2.355 122 W HA 0.027 4.688 4.660 0.002 0.000 0.309 122 W C 2.320 178.719 176.519 -0.199 0.000 1.206 122 W CA 0.398 57.653 57.345 -0.151 0.000 1.284 122 W CB -1.545 27.758 29.460 -0.261 0.000 1.145 122 W HN 0.284 nan 8.180 nan 0.000 0.502 123 Y N 0.573 120.954 120.300 0.136 0.000 2.145 123 Y HA -0.145 4.405 4.550 0.001 0.000 0.286 123 Y C 2.722 178.718 175.900 0.159 0.000 1.145 123 Y CA 2.116 60.229 58.100 0.022 0.000 1.148 123 Y CB -1.460 36.967 38.460 -0.055 0.000 0.981 123 Y HN -0.087 nan 8.280 nan 0.000 0.507 124 A N 0.082 123.061 122.820 0.264 0.000 1.892 124 A HA -0.312 4.008 4.320 0.001 0.000 0.218 124 A C 2.168 179.842 177.584 0.150 0.000 1.188 124 A CA 2.083 54.236 52.037 0.192 0.000 0.631 124 A CB -0.876 18.208 19.000 0.141 0.000 0.822 124 A HN 0.556 nan 8.150 nan 0.000 0.447 125 E N -0.549 119.726 120.200 0.126 0.000 2.160 125 E HA -0.173 4.178 4.350 0.001 0.000 0.195 125 E C 1.545 178.170 176.600 0.041 0.000 0.991 125 E CA 0.982 57.426 56.400 0.073 0.000 0.810 125 E CB -0.008 29.728 29.700 0.060 0.000 0.742 125 E HN 0.592 nan 8.360 nan 0.000 0.466 126 R N -1.319 119.227 120.500 0.077 0.000 2.466 126 R HA 0.172 4.513 4.340 0.001 0.000 0.279 126 R C 0.729 177.028 176.300 -0.003 0.000 0.976 126 R CA 0.466 56.557 56.100 -0.016 0.000 1.081 126 R CB 0.940 31.246 30.300 0.010 0.000 1.215 126 R HN 0.231 nan 8.270 nan 0.000 0.546 127 G N 0.306 109.166 108.800 0.100 0.000 2.143 127 G HA2 -0.320 3.640 3.960 0.001 0.000 0.248 127 G HA3 -0.320 3.640 3.960 0.001 0.000 0.248 127 G C -0.278 174.687 174.900 0.108 0.000 0.991 127 G CA -0.159 44.978 45.100 0.062 0.000 0.689 127 G HN 0.257 nan 8.290 nan 0.000 0.522 128 Y N 0.462 120.846 120.300 0.140 0.000 2.326 128 Y HA 0.554 5.105 4.550 0.001 0.000 0.333 128 Y C 1.065 177.075 175.900 0.183 0.000 1.240 128 Y CA -0.206 58.028 58.100 0.223 0.000 1.365 128 Y CB 0.744 39.425 38.460 0.368 0.000 1.289 128 Y HN -0.074 nan 8.280 nan 0.000 0.548 129 K N 1.535 122.148 120.400 0.355 0.000 2.123 129 K HA 0.588 4.909 4.320 0.001 0.000 0.259 129 K C -1.208 175.547 176.600 0.257 0.000 0.960 129 K CA -0.762 55.697 56.287 0.286 0.000 0.872 129 K CB 2.088 34.752 32.500 0.273 0.000 1.079 129 K HN 0.354 nan 8.250 nan 0.000 0.440 130 V N 3.264 123.242 119.914 0.105 0.000 2.495 130 V HA 0.414 4.535 4.120 0.001 0.000 0.298 130 V C -0.178 175.908 176.094 -0.013 0.000 1.031 130 V CA -0.854 61.384 62.300 -0.102 0.000 0.871 130 V CB 1.765 33.465 31.823 -0.205 0.000 0.988 130 V HN 0.724 nan 8.190 nan 0.000 0.432 131 M N 6.243 125.790 119.600 -0.089 0.000 2.149 131 M HA 0.564 5.045 4.480 0.001 0.000 0.342 131 M C -1.564 174.790 176.300 0.090 0.000 1.068 131 M CA -0.546 54.804 55.300 0.083 0.000 0.991 131 M CB 1.039 33.780 32.600 0.235 0.000 1.596 131 M HN 0.528 nan 8.290 nan 0.000 0.439 132 L N 4.421 125.774 121.223 0.217 0.000 2.290 132 L HA 0.298 4.638 4.340 0.001 0.000 0.284 132 L C -0.349 176.792 176.870 0.452 0.000 1.078 132 L CA -0.413 54.608 54.840 0.302 0.000 0.815 132 L CB 0.748 42.998 42.059 0.319 0.000 1.162 132 L HN 0.650 nan 8.230 nan 0.000 0.435 133 D N 4.674 125.287 120.400 0.354 0.000 2.392 133 D HA 0.204 4.845 4.640 0.001 0.000 0.228 133 D C -0.318 176.199 176.300 0.362 0.000 1.074 133 D CA -0.582 53.659 54.000 0.402 0.000 0.838 133 D CB 1.309 42.325 40.800 0.361 0.000 1.067 133 D HN 0.256 nan 8.370 nan 0.000 0.511 134 M N 4.704 124.561 119.600 0.428 0.000 2.685 134 M HA 0.165 4.645 4.480 0.001 0.000 0.316 134 M C -1.139 175.341 176.300 0.301 0.000 1.523 134 M CA -0.052 55.382 55.300 0.223 0.000 1.472 134 M CB -0.369 32.292 32.600 0.100 0.000 1.525 134 M HN 0.400 nan 8.290 nan 0.000 0.471 135 H N 3.077 122.241 119.070 0.158 0.000 2.502 135 H HA 0.584 5.140 4.556 0.001 0.000 0.327 135 H C -0.860 174.534 175.328 0.110 0.000 1.099 135 H CA -0.098 56.045 56.048 0.159 0.000 1.323 135 H CB 0.749 30.586 29.762 0.125 0.000 1.450 135 H HN 0.688 nan 8.280 nan 0.000 0.502 136 Q N 2.672 122.364 119.800 -0.180 0.000 2.379 136 Q HA 0.430 4.771 4.340 0.001 0.000 0.278 136 Q C -1.932 174.004 176.000 -0.106 0.000 1.068 136 Q CA -0.944 54.817 55.803 -0.071 0.000 0.816 136 Q CB 2.109 30.821 28.738 -0.044 0.000 1.387 136 Q HN 0.524 nan 8.270 nan 0.000 0.413 137 D N 1.699 122.100 120.400 0.002 0.000 2.863 137 D HA 0.349 4.990 4.640 0.001 0.000 0.245 137 D C -0.400 175.877 176.300 -0.038 0.000 1.211 137 D CA -0.523 53.516 54.000 0.065 0.000 0.888 137 D CB 2.218 42.992 40.800 -0.043 0.000 1.483 137 D HN 0.639 nan 8.370 nan 0.000 0.533 138 V N 2.517 122.333 119.914 -0.162 0.000 5.117 138 V HA -0.389 3.731 4.120 0.001 0.000 0.285 138 V C 0.817 176.941 176.094 0.050 0.000 0.490 138 V CA 1.438 63.534 62.300 -0.340 0.000 0.728 138 V CB -3.011 28.558 31.823 -0.423 0.000 0.597 138 V HN 0.946 nan 8.190 nan 0.000 1.265 139 Y N -1.386 118.901 120.300 -0.022 0.000 2.740 139 Y HA -0.405 4.146 4.550 0.001 0.000 0.482 139 Y C 0.868 176.595 175.900 -0.289 0.000 1.156 139 Y CA 2.875 60.737 58.100 -0.396 0.000 2.839 139 Y CB -1.113 36.808 38.460 -0.900 0.000 0.979 139 Y HN 1.477 nan 8.280 nan 0.000 0.561 140 S N -1.087 114.504 115.700 -0.182 0.000 2.565 140 S HA 0.517 4.988 4.470 0.001 0.000 0.274 140 S C 0.513 175.012 174.600 -0.168 0.000 1.144 140 S CA -0.107 57.950 58.200 -0.239 0.000 0.849 140 S CB 0.908 63.969 63.200 -0.232 0.000 1.103 140 S HN 1.046 nan 8.310 nan 0.000 0.455 141 G N 1.467 110.155 108.800 -0.186 0.000 2.470 141 G HA2 0.073 4.034 3.960 0.001 0.000 0.220 141 G HA3 0.073 4.034 3.960 0.001 0.000 0.220 141 G C 1.216 176.031 174.900 -0.142 0.000 1.121 141 G CA 0.861 45.864 45.100 -0.161 0.000 0.766 141 G HN 1.183 nan 8.290 nan 0.000 0.553 142 A N 0.880 123.609 122.820 -0.150 0.000 2.235 142 A HA 0.258 4.579 4.320 0.001 0.000 0.208 142 A C 2.143 179.670 177.584 -0.095 0.000 1.172 142 A CA 0.675 52.633 52.037 -0.132 0.000 0.786 142 A CB -0.485 18.412 19.000 -0.173 0.000 0.804 142 A HN 0.673 nan 8.150 nan 0.000 0.479 143 I N -2.393 118.131 120.570 -0.076 0.000 2.830 143 I HA 0.024 4.195 4.170 0.001 0.000 0.263 143 I C 0.863 176.974 176.117 -0.010 0.000 1.230 143 I CA 1.085 62.364 61.300 -0.035 0.000 1.480 143 I CB -0.569 37.426 38.000 -0.009 0.000 1.095 143 I HN 0.257 nan 8.210 nan 0.000 0.455 156 I N 0.848 121.270 120.570 -0.248 0.000 2.726 156 I HA 0.208 4.379 4.170 0.001 0.000 0.243 156 I C 1.763 177.695 176.117 -0.309 0.000 1.082 156 I CA 1.714 62.799 61.300 -0.359 0.000 1.447 156 I CB -1.518 36.100 38.000 -0.637 0.000 1.250 156 I HN 0.299 nan 8.210 nan 0.000 0.453 157 G N 1.125 109.773 108.800 -0.253 0.000 2.557 157 G HA2 0.408 4.369 3.960 0.001 0.000 0.292 157 G HA3 0.408 4.369 3.960 0.001 0.000 0.292 157 G C -0.712 174.083 174.900 -0.176 0.000 1.237 157 G CA -0.207 44.773 45.100 -0.199 0.000 0.978 157 G HN 0.583 nan 8.290 nan 0.000 0.498 158 N N -2.713 115.899 118.700 -0.147 0.000 2.598 158 N HA 0.628 5.368 4.740 0.001 0.000 0.263 158 N C 0.146 175.575 175.510 -0.135 0.000 1.254 158 N CA 0.125 53.097 53.050 -0.129 0.000 0.863 158 N CB 1.684 40.124 38.487 -0.078 0.000 1.586 158 N HN 1.334 nan 8.380 nan 0.000 0.491 159 G N -0.094 108.609 108.800 -0.161 0.000 2.083 159 G HA2 0.264 4.225 3.960 0.001 0.000 0.199 159 G HA3 0.264 4.225 3.960 0.001 0.000 0.199 159 G C -0.343 174.410 174.900 -0.245 0.000 2.367 159 G CA 0.100 45.110 45.100 -0.149 0.000 1.555 159 G HN 1.206 nan 8.290 nan 0.000 0.490 160 A N 3.240 125.764 122.820 -0.494 0.000 2.386 160 A HA 0.697 5.018 4.320 0.001 0.000 0.248 160 A C -1.741 175.368 177.584 -0.792 0.000 1.082 160 A CA -0.283 51.300 52.037 -0.756 0.000 0.789 160 A CB 0.067 18.354 19.000 -1.190 0.000 1.025 160 A HN 0.436 nan 8.150 nan 0.000 0.490 161 P HA 0.216 nan 4.420 nan 0.000 0.274 161 P C 0.727 177.520 177.300 -0.844 0.000 1.237 161 P CA 0.408 62.968 63.100 -0.901 0.000 0.793 161 P CB 0.946 31.991 31.700 -1.090 0.000 0.977 162 A N 3.147 125.664 122.820 -0.506 0.000 1.917 162 A HA -0.173 4.148 4.320 0.001 0.000 0.219 162 A C 2.025 179.366 177.584 -0.407 0.000 1.182 162 A CA 1.748 53.565 52.037 -0.368 0.000 0.633 162 A CB -1.867 17.008 19.000 -0.209 0.000 0.819 162 A HN 0.843 nan 8.150 nan 0.000 0.448 163 W N -1.009 120.080 121.300 -0.352 0.000 2.392 163 W HA 0.088 4.749 4.660 0.002 0.000 0.279 163 W C 1.493 177.722 176.519 -0.484 0.000 1.225 163 W CA 0.948 58.071 57.345 -0.369 0.000 1.233 163 W CB -0.676 28.623 29.460 -0.269 0.000 1.122 163 W HN 0.404 nan 8.180 nan 0.000 0.561 164 A N 0.954 123.096 122.820 -1.130 0.000 2.275 164 A HA 0.177 4.498 4.320 0.001 0.000 0.212 164 A C 0.529 177.827 177.584 -0.477 0.000 1.201 164 A CA 0.480 51.952 52.037 -0.941 0.000 0.843 164 A CB -0.564 17.431 19.000 -1.675 0.000 0.873 164 A HN 0.078 nan 8.150 nan 0.000 0.492 165 T N 0.632 114.833 114.554 -0.588 0.000 2.801 165 T HA 0.476 4.827 4.350 0.001 0.000 0.306 165 T C -1.295 173.075 174.700 -0.550 0.000 1.020 165 T CA 0.124 62.012 62.100 -0.354 0.000 0.948 165 T CB -0.096 68.636 68.868 -0.226 0.000 0.962 165 T HN 0.234 nan 8.240 nan 0.000 0.465 166 Y N 2.978 123.145 120.300 -0.222 0.000 2.686 166 Y HA 0.354 4.905 4.550 0.001 0.000 0.331 166 Y C 1.147 176.979 175.900 -0.112 0.000 0.996 166 Y CA -0.835 57.175 58.100 -0.151 0.000 1.293 166 Y CB 0.759 39.097 38.460 -0.203 0.000 1.092 166 Y HN 0.585 nan 8.280 nan 0.000 0.524 167 M N 0.509 120.123 119.600 0.023 0.000 2.502 167 M HA 0.027 4.508 4.480 0.001 0.000 0.243 167 M C -0.119 176.218 176.300 0.061 0.000 1.130 167 M CA 0.464 55.776 55.300 0.021 0.000 1.055 167 M CB 0.219 32.815 32.600 -0.006 0.000 1.457 167 M HN 0.525 nan 8.290 nan 0.000 0.488 168 D N 1.101 121.559 120.400 0.097 0.000 2.772 168 D HA -0.174 4.467 4.640 0.001 0.000 0.233 168 D C 1.056 177.394 176.300 0.063 0.000 1.143 168 D CA 1.331 55.390 54.000 0.098 0.000 0.700 168 D CB -1.771 39.088 40.800 0.099 0.000 1.076 168 D HN 0.711 nan 8.370 nan 0.000 0.430 169 G N -1.317 107.512 108.800 0.049 0.000 2.184 169 G HA2 -0.350 3.611 3.960 0.001 0.000 0.264 169 G HA3 -0.350 3.611 3.960 0.001 0.000 0.264 169 G C 0.432 175.350 174.900 0.031 0.000 0.975 169 G CA 0.489 45.610 45.100 0.035 0.000 0.642 169 G HN 0.515 nan 8.290 nan 0.000 0.536 170 L N 2.268 123.512 121.223 0.036 0.000 2.417 170 L HA 0.362 4.703 4.340 0.001 0.000 0.268 170 L C -1.120 175.768 176.870 0.031 0.000 1.158 170 L CA -1.847 53.013 54.840 0.034 0.000 0.819 170 L CB 0.551 42.636 42.059 0.042 0.000 1.112 170 L HN 0.007 nan 8.230 nan 0.000 0.458 171 P HA 0.069 nan 4.420 nan 0.000 0.271 171 P C -0.866 176.452 177.300 0.029 0.000 1.218 171 P CA -0.171 62.942 63.100 0.022 0.000 0.780 171 P CB 1.217 32.925 31.700 0.013 0.000 0.901 172 V N 2.522 122.457 119.914 0.035 0.000 2.383 172 V HA 0.160 4.280 4.120 0.001 0.000 0.264 172 V C 0.260 176.378 176.094 0.039 0.000 1.001 172 V CA -0.505 61.826 62.300 0.053 0.000 0.828 172 V CB 0.652 32.540 31.823 0.108 0.000 1.069 172 V HN 0.464 nan 8.190 nan 0.000 0.451 173 E N 3.646 123.829 120.200 -0.028 0.000 2.343 173 E HA 0.358 4.709 4.350 0.001 0.000 0.269 173 E C -2.452 174.076 176.600 -0.121 0.000 1.047 173 E CA -2.078 54.296 56.400 -0.043 0.000 0.874 173 E CB 1.221 30.892 29.700 -0.048 0.000 1.033 173 E HN 0.290 nan 8.360 nan 0.000 0.409 174 P HA -0.019 nan 4.420 nan 0.000 0.265 174 P C -0.434 176.759 177.300 -0.178 0.000 1.193 174 P CA 0.407 63.493 63.100 -0.024 0.000 0.765 174 P CB 0.537 32.273 31.700 0.060 0.000 0.823 175 Q N 3.627 123.245 119.800 -0.303 0.000 2.399 175 Q HA 0.314 4.654 4.340 0.001 0.000 0.276 175 Q C -1.593 174.394 176.000 -0.021 0.000 1.098 175 Q CA -1.837 53.811 55.803 -0.259 0.000 0.827 175 Q CB 0.882 29.308 28.738 -0.520 0.000 1.386 175 Q HN 0.300 nan 8.270 nan 0.000 0.443 176 P HA 0.017 nan 4.420 nan 0.000 0.229 176 P C -0.331 177.011 177.300 0.070 0.000 1.160 176 P CA 0.778 63.898 63.100 0.032 0.000 0.777 176 P CB 0.820 32.522 31.700 0.005 0.000 0.814 177 R N -0.671 119.871 120.500 0.069 0.000 2.673 177 R HA 0.188 4.528 4.340 0.001 0.000 0.281 177 R C 1.121 177.520 176.300 0.166 0.000 0.991 177 R CA -0.809 55.337 56.100 0.077 0.000 0.896 177 R CB 1.132 31.405 30.300 -0.046 0.000 1.201 177 R HN 0.055 nan 8.270 nan 0.000 0.457 178 W N 2.663 124.050 121.300 0.145 0.000 2.363 178 W HA -0.130 4.531 4.660 0.001 0.000 0.296 178 W C 0.250 176.879 176.519 0.183 0.000 1.212 178 W CA 1.216 58.658 57.345 0.161 0.000 1.260 178 W CB -0.221 29.216 29.460 -0.038 0.000 1.131 178 W HN 0.613 nan 8.180 nan 0.000 0.530 179 E N 1.446 121.128 120.200 -0.864 0.000 2.160 179 E HA -0.170 4.181 4.350 0.001 0.000 0.195 179 E C 2.281 178.760 176.600 -0.201 0.000 0.991 179 E CA 1.945 57.855 56.400 -0.815 0.000 0.810 179 E CB -0.811 28.381 29.700 -0.847 0.000 0.742 179 E HN 0.309 nan 8.360 nan 0.000 0.466 180 L N -0.328 120.822 121.223 -0.121 0.000 2.362 180 L HA -0.143 4.198 4.340 0.001 0.000 0.219 180 L C 1.574 178.417 176.870 -0.045 0.000 1.134 180 L CA 0.694 55.486 54.840 -0.081 0.000 0.807 180 L CB -0.310 41.673 42.059 -0.127 0.000 0.927 180 L HN 0.216 nan 8.230 nan 0.000 0.447 181 Y N -1.699 118.576 120.300 -0.043 0.000 2.333 181 Y HA -0.243 4.308 4.550 0.001 0.000 0.290 181 Y C 2.274 178.158 175.900 -0.026 0.000 1.144 181 Y CA 1.155 59.239 58.100 -0.026 0.000 1.228 181 Y CB -0.539 37.906 38.460 -0.024 0.000 0.985 181 Y HN 0.053 nan 8.280 nan 0.000 0.542 182 Y N 0.078 120.393 120.300 0.025 0.000 2.256 182 Y HA -0.238 4.312 4.550 0.001 0.000 0.288 182 Y C 2.128 177.999 175.900 -0.048 0.000 1.155 182 Y CA 1.666 59.658 58.100 -0.179 0.000 1.203 182 Y CB -0.504 37.572 38.460 -0.640 0.000 0.980 182 Y HN 0.239 nan 8.280 nan 0.000 0.530 183 I N -2.278 118.379 120.570 0.145 0.000 3.928 183 I HA 0.161 4.332 4.170 0.001 0.000 0.335 183 I C 0.048 176.228 176.117 0.103 0.000 1.325 183 I CA -0.251 61.139 61.300 0.151 0.000 1.107 183 I CB -0.131 37.922 38.000 0.089 0.000 1.014 183 I HN -0.157 nan 8.210 nan 0.000 0.400 184 Q N 2.225 122.075 119.800 0.085 0.000 2.373 184 Q HA 0.208 4.549 4.340 0.001 0.000 0.255 184 Q C -1.576 174.476 176.000 0.087 0.000 0.980 184 Q CA -1.910 53.922 55.803 0.049 0.000 0.882 184 Q CB 0.613 29.358 28.738 0.013 0.000 1.249 184 Q HN 0.066 nan 8.270 nan 0.000 0.438 185 P HA -0.177 nan 4.420 nan 0.000 0.215 185 P C 1.075 178.423 177.300 0.080 0.000 1.157 185 P CA 1.911 65.051 63.100 0.067 0.000 0.874 185 P CB 0.157 31.883 31.700 0.043 0.000 0.790 186 G N -0.722 108.120 108.800 0.068 0.000 2.422 186 G HA2 -0.193 3.768 3.960 0.001 0.000 0.218 186 G HA3 -0.193 3.768 3.960 0.001 0.000 0.218 186 G C 1.582 176.522 174.900 0.068 0.000 1.140 186 G CA 0.609 45.744 45.100 0.058 0.000 0.775 186 G HN 0.171 nan 8.290 nan 0.000 0.545 187 V N 1.306 121.293 119.914 0.122 0.000 2.323 187 V HA -0.128 3.993 4.120 0.001 0.000 0.244 187 V C 2.940 179.245 176.094 0.351 0.000 1.041 187 V CA 1.533 63.951 62.300 0.197 0.000 1.025 187 V CB -0.349 31.632 31.823 0.263 0.000 0.656 187 V HN 0.258 nan 8.190 nan 0.000 0.451 188 M N -0.069 119.728 119.600 0.330 0.000 2.106 188 M HA -0.207 4.274 4.480 0.001 0.000 0.259 188 M C 2.352 178.794 176.300 0.236 0.000 1.068 188 M CA 1.889 57.387 55.300 0.329 0.000 1.100 188 M CB -1.237 31.488 32.600 0.208 0.000 1.351 188 M HN 0.290 nan 8.290 nan 0.000 0.404 189 R N 0.820 121.407 120.500 0.144 0.000 2.073 189 R HA 0.048 4.389 4.340 0.001 0.000 0.229 189 R C 2.136 178.459 176.300 0.037 0.000 1.120 189 R CA 1.837 57.995 56.100 0.096 0.000 0.967 189 R CB -0.899 29.446 30.300 0.074 0.000 0.862 189 R HN 0.296 nan 8.270 nan 0.000 0.436 190 A N -0.138 122.634 122.820 -0.079 0.000 1.892 190 A HA -0.162 4.159 4.320 0.001 0.000 0.218 190 A C 2.128 179.383 177.584 -0.549 0.000 1.188 190 A CA 1.745 53.530 52.037 -0.420 0.000 0.631 190 A CB -0.921 17.658 19.000 -0.701 0.000 0.822 190 A HN 0.389 nan 8.150 nan 0.000 0.447 191 F N 0.392 120.200 119.950 -0.236 0.000 2.146 191 F HA -0.137 4.390 4.527 0.001 0.000 0.298 191 F C 2.144 178.055 175.800 0.184 0.000 1.096 191 F CA 1.718 59.723 58.000 0.008 0.000 1.275 191 F CB -0.409 38.757 39.000 0.277 0.000 1.008 191 F HN 0.191 nan 8.300 nan 0.000 0.480 192 D N -0.184 120.415 120.400 0.332 0.000 2.149 192 D HA -0.163 4.478 4.640 0.001 0.000 0.198 192 D C 1.937 178.372 176.300 0.225 0.000 0.990 192 D CA 0.995 55.159 54.000 0.273 0.000 0.839 192 D CB -0.431 40.469 40.800 0.168 0.000 0.948 192 D HN 0.199 nan 8.370 nan 0.000 0.460 193 N N -0.123 118.671 118.700 0.157 0.000 2.171 193 N HA -0.112 4.628 4.740 0.001 0.000 0.184 193 N C 1.691 177.287 175.510 0.143 0.000 1.021 193 N CA 0.259 53.407 53.050 0.164 0.000 0.854 193 N CB -0.492 38.081 38.487 0.143 0.000 0.994 193 N HN 0.177 nan 8.380 nan 0.000 0.426 194 F N 0.526 120.434 119.950 -0.070 0.000 2.065 194 F HA -0.185 4.343 4.527 0.002 0.000 0.298 194 F C 1.532 177.242 175.800 -0.150 0.000 1.112 194 F CA 1.573 59.492 58.000 -0.136 0.000 1.212 194 F CB -0.552 38.287 39.000 -0.269 0.000 0.975 194 F HN 0.055 nan 8.300 nan 0.000 0.476 195 W N 0.346 121.752 121.300 0.177 0.000 3.077 195 W HA 0.044 4.705 4.660 0.001 0.000 0.245 195 W C 1.024 177.552 176.519 0.016 0.000 1.316 195 W CA 0.447 57.831 57.345 0.065 0.000 1.537 195 W CB -0.793 28.799 29.460 0.220 0.000 1.131 195 W HN 0.131 nan 8.180 nan 0.000 0.695 196 N N -0.150 118.655 118.700 0.174 0.000 2.708 196 N HA -0.225 4.515 4.740 0.001 0.000 0.249 196 N C 0.620 176.214 175.510 0.141 0.000 1.097 196 N CA 1.528 54.657 53.050 0.133 0.000 0.710 196 N CB -1.261 37.276 38.487 0.083 0.000 1.032 196 N HN 0.050 nan 8.380 nan 0.000 0.551 197 T N -1.950 112.716 114.554 0.187 0.000 2.833 197 T HA -0.145 4.206 4.350 0.001 0.000 0.269 197 T C 1.829 176.583 174.700 0.090 0.000 1.054 197 T CA 1.974 64.156 62.100 0.137 0.000 1.135 197 T CB -0.414 68.543 68.868 0.149 0.000 0.869 197 T HN 0.684 nan 8.240 nan 0.000 0.466 198 T N -0.883 113.727 114.554 0.094 0.000 3.035 198 T HA 0.240 4.591 4.350 0.001 0.000 0.268 198 T C 1.976 176.691 174.700 0.025 0.000 1.109 198 T CA 1.073 63.208 62.100 0.059 0.000 1.119 198 T CB -0.486 68.423 68.868 0.068 0.000 0.900 198 T HN 0.527 nan 8.240 nan 0.000 0.503 199 G N 1.588 110.404 108.800 0.027 0.000 2.184 199 G HA2 -0.302 3.658 3.960 0.001 0.000 0.264 199 G HA3 -0.302 3.658 3.960 0.001 0.000 0.264 199 G C 0.859 175.726 174.900 -0.055 0.000 0.975 199 G CA 0.540 45.639 45.100 -0.002 0.000 0.642 199 G HN 0.579 nan 8.290 nan 0.000 0.536 200 K N -0.362 119.977 120.400 -0.101 0.000 2.361 200 K HA 0.142 4.463 4.320 0.001 0.000 0.194 200 K C 0.284 176.534 176.600 -0.583 0.000 1.032 200 K CA 0.267 56.369 56.287 -0.309 0.000 1.048 200 K CB 0.360 32.657 32.500 -0.339 0.000 0.842 200 K HN 0.526 nan 8.250 nan 0.000 0.526 201 H N 0.398 119.431 119.070 -0.062 0.000 2.597 201 H HA 0.132 4.689 4.556 0.001 0.000 0.225 201 H C -2.157 173.172 175.328 0.002 0.000 1.422 201 H CA -1.469 54.544 56.048 -0.058 0.000 1.335 201 H CB 1.084 30.782 29.762 -0.107 0.000 1.783 201 H HN -0.008 nan 8.280 nan 0.000 0.513 202 P HA -0.154 nan 4.420 nan 0.000 0.222 202 P C 1.455 178.824 177.300 0.115 0.000 1.147 202 P CA 0.998 64.142 63.100 0.074 0.000 0.790 202 P CB 0.448 32.177 31.700 0.049 0.000 0.780 203 E N 0.798 121.113 120.200 0.192 0.000 2.274 203 E HA -0.107 4.244 4.350 0.001 0.000 0.194 203 E C 2.014 178.867 176.600 0.421 0.000 0.996 203 E CA 0.632 57.214 56.400 0.302 0.000 0.840 203 E CB -1.197 28.736 29.700 0.389 0.000 0.772 203 E HN 0.277 nan 8.360 nan 0.000 0.491 204 L N 0.798 122.214 121.223 0.323 0.000 2.017 204 L HA -0.149 4.192 4.340 0.001 0.000 0.208 204 L C 2.763 179.745 176.870 0.186 0.000 1.073 204 L CA 1.131 56.190 54.840 0.366 0.000 0.745 204 L CB -0.446 41.758 42.059 0.241 0.000 0.894 204 L HN -0.001 nan 8.230 nan 0.000 0.432 205 V N -0.297 119.512 119.914 -0.175 0.000 2.407 205 V HA -0.268 3.853 4.120 0.001 0.000 0.248 205 V C 2.493 178.656 176.094 0.116 0.000 1.055 205 V CA 1.819 64.012 62.300 -0.178 0.000 1.049 205 V CB -0.415 31.278 31.823 -0.216 0.000 0.662 205 V HN 0.415 nan 8.190 nan 0.000 0.455 206 E N -0.272 120.013 120.200 0.143 0.000 2.085 206 E HA -0.223 4.128 4.350 0.001 0.000 0.194 206 E C 2.208 178.924 176.600 0.193 0.000 0.994 206 E CA 1.573 58.058 56.400 0.142 0.000 0.801 206 E CB -0.327 29.426 29.700 0.088 0.000 0.743 206 E HN 0.667 nan 8.360 nan 0.000 0.453 207 H N -1.350 117.920 119.070 0.333 0.000 2.352 207 H HA -0.167 4.390 4.556 0.002 0.000 0.299 207 H C 1.927 177.494 175.328 0.398 0.000 1.097 207 H CA 1.729 58.072 56.048 0.491 0.000 1.311 207 H CB -0.421 29.835 29.762 0.823 0.000 1.377 207 H HN 0.301 nan 8.280 nan 0.000 0.504 208 Y N 1.175 121.567 120.300 0.153 0.000 2.097 208 Y HA -0.268 4.283 4.550 0.001 0.000 0.282 208 Y C 2.764 178.645 175.900 -0.032 0.000 1.152 208 Y CA 1.691 59.583 58.100 -0.346 0.000 1.136 208 Y CB -0.464 37.786 38.460 -0.350 0.000 0.975 208 Y HN 0.169 nan 8.280 nan 0.000 0.498 209 A N 0.042 123.001 122.820 0.231 0.000 1.908 209 A HA -0.230 4.090 4.320 0.001 0.000 0.218 209 A C 2.165 179.831 177.584 0.137 0.000 1.181 209 A CA 2.140 54.300 52.037 0.204 0.000 0.627 209 A CB -0.569 18.541 19.000 0.183 0.000 0.818 209 A HN 0.531 nan 8.150 nan 0.000 0.445 210 K N -0.473 120.011 120.400 0.140 0.000 2.288 210 K HA 0.122 4.443 4.320 0.001 0.000 0.201 210 K C 2.163 178.779 176.600 0.026 0.000 1.048 210 K CA 0.718 57.079 56.287 0.124 0.000 0.956 210 K CB -0.188 32.429 32.500 0.195 0.000 0.746 210 K HN 0.449 nan 8.250 nan 0.000 0.461 211 A N 0.542 123.403 122.820 0.070 0.000 1.898 211 A HA -0.142 4.179 4.320 0.001 0.000 0.216 211 A C 1.778 179.201 177.584 -0.270 0.000 1.181 211 A CA 0.852 52.842 52.037 -0.078 0.000 0.620 211 A CB -0.776 18.257 19.000 0.054 0.000 0.819 211 A HN 0.441 nan 8.150 nan 0.000 0.442 212 W N -0.117 121.005 121.300 -0.297 0.000 2.338 212 W HA -0.160 4.500 4.660 0.001 0.000 0.304 212 W C 2.637 178.998 176.519 -0.263 0.000 1.212 212 W CA 1.672 58.840 57.345 -0.295 0.000 1.264 212 W CB -0.016 29.281 29.460 -0.273 0.000 1.142 212 W HN 0.301 nan 8.180 nan 0.000 0.512 213 R N 0.382 120.917 120.500 0.059 0.000 2.091 213 R HA -0.199 4.142 4.340 0.001 0.000 0.238 213 R C 2.208 178.451 176.300 -0.095 0.000 1.136 213 R CA 1.787 57.882 56.100 -0.009 0.000 0.959 213 R CB -0.610 29.688 30.300 -0.004 0.000 0.856 213 R HN 0.148 nan 8.270 nan 0.000 0.437 214 A N 0.109 122.768 122.820 -0.269 0.000 1.902 214 A HA -0.121 4.200 4.320 0.001 0.000 0.217 214 A C 2.254 179.742 177.584 -0.160 0.000 1.181 214 A CA 1.693 53.513 52.037 -0.361 0.000 0.623 214 A CB -0.567 17.890 19.000 -0.905 0.000 0.818 214 A HN 0.231 nan 8.150 nan 0.000 0.443 215 V N -0.211 119.632 119.914 -0.118 0.000 2.295 215 V HA -0.237 3.884 4.120 0.001 0.000 0.246 215 V C 3.051 179.236 176.094 0.151 0.000 1.049 215 V CA 1.977 64.296 62.300 0.031 0.000 1.024 215 V CB -1.243 30.505 31.823 -0.125 0.000 0.648 215 V HN 0.615 nan 8.190 nan 0.000 0.447 216 A N -0.208 122.629 122.820 0.028 0.000 1.933 216 A HA -0.272 4.048 4.320 0.001 0.000 0.218 216 A C 2.043 179.714 177.584 0.144 0.000 1.175 216 A CA 1.973 54.048 52.037 0.063 0.000 0.628 216 A CB -0.653 18.323 19.000 -0.041 0.000 0.814 216 A HN 0.561 nan 8.150 nan 0.000 0.444 217 D N -0.458 119.970 120.400 0.047 0.000 2.123 217 D HA -0.186 4.455 4.640 0.001 0.000 0.196 217 D C 2.099 178.384 176.300 -0.025 0.000 0.992 217 D CA 1.412 55.420 54.000 0.014 0.000 0.833 217 D CB -0.099 40.688 40.800 -0.022 0.000 0.954 217 D HN 0.312 nan 8.370 nan 0.000 0.455 218 R N -0.832 119.615 120.500 -0.089 0.000 2.092 218 R HA -0.006 4.334 4.340 0.001 0.000 0.231 218 R C 1.540 177.575 176.300 -0.441 0.000 1.119 218 R CA 1.276 57.181 56.100 -0.325 0.000 0.970 218 R CB -0.656 29.324 30.300 -0.533 0.000 0.864 218 R HN 0.211 nan 8.270 nan 0.000 0.440 219 F N -0.455 119.558 119.950 0.106 0.000 2.695 219 F HA 0.433 4.961 4.527 0.001 0.000 0.303 219 F C 1.842 177.748 175.800 0.177 0.000 1.091 219 F CA 0.182 58.274 58.000 0.154 0.000 1.300 219 F CB -0.057 39.089 39.000 0.243 0.000 1.071 219 F HN 0.088 nan 8.300 nan 0.000 0.578 220 A N -0.045 122.938 122.820 0.272 0.000 1.927 220 A HA -0.217 4.103 4.320 0.001 0.000 0.220 220 A C 1.536 179.207 177.584 0.145 0.000 1.185 220 A CA 2.270 54.434 52.037 0.211 0.000 0.639 220 A CB -0.513 18.571 19.000 0.140 0.000 0.820 220 A HN 0.209 nan 8.150 nan 0.000 0.451 221 D N -0.495 119.969 120.400 0.106 0.000 2.388 221 D HA 0.064 4.705 4.640 0.001 0.000 0.221 221 D C -0.166 176.190 176.300 0.092 0.000 1.133 221 D CA -0.120 53.927 54.000 0.079 0.000 0.831 221 D CB -0.238 40.589 40.800 0.044 0.000 0.962 221 D HN 0.281 nan 8.370 nan 0.000 0.502 222 N N 1.617 120.405 118.700 0.147 0.000 2.406 222 N HA -0.009 4.731 4.740 0.001 0.000 0.251 222 N C 0.347 175.943 175.510 0.143 0.000 1.069 222 N CA -0.113 53.040 53.050 0.170 0.000 0.947 222 N CB 1.076 39.756 38.487 0.322 0.000 1.111 222 N HN -0.138 nan 8.380 nan 0.000 0.497 223 D N 2.675 123.141 120.400 0.110 0.000 2.350 223 D HA -0.064 4.577 4.640 0.001 0.000 0.216 223 D C 1.238 177.601 176.300 0.105 0.000 0.968 223 D CA 0.550 54.608 54.000 0.097 0.000 0.894 223 D CB 0.302 41.150 40.800 0.080 0.000 0.909 223 D HN 0.644 nan 8.370 nan 0.000 0.520 224 A N 0.041 122.931 122.820 0.116 0.000 2.147 224 A HA 0.108 4.429 4.320 0.001 0.000 0.211 224 A C 1.064 178.706 177.584 0.097 0.000 1.160 224 A CA -0.008 52.101 52.037 0.120 0.000 0.781 224 A CB 0.458 19.538 19.000 0.133 0.000 0.842 224 A HN 0.034 nan 8.150 nan 0.000 0.475 225 V N 0.418 120.383 119.914 0.084 0.000 2.432 225 V HA 0.188 4.309 4.120 0.001 0.000 0.271 225 V C 1.124 177.234 176.094 0.027 0.000 1.046 225 V CA 0.205 62.524 62.300 0.031 0.000 0.945 225 V CB 1.288 33.127 31.823 0.026 0.000 0.992 225 V HN 0.146 nan 8.190 nan 0.000 0.471 226 V N 4.325 124.262 119.914 0.039 0.000 3.635 226 V HA 0.675 4.795 4.120 0.001 0.000 0.266 226 V C 0.613 176.747 176.094 0.066 0.000 1.316 226 V CA 1.036 63.388 62.300 0.086 0.000 1.060 226 V CB 0.666 32.553 31.823 0.108 0.000 0.820 226 V HN 0.927 nan 8.190 nan 0.000 0.447 227 A N -0.889 121.906 122.820 -0.042 0.000 2.574 227 A HA 0.762 5.083 4.320 0.001 0.000 0.297 227 A C -2.147 175.382 177.584 -0.092 0.000 1.062 227 A CA -0.386 51.636 52.037 -0.026 0.000 0.686 227 A CB 1.213 20.302 19.000 0.148 0.000 1.285 227 A HN 0.165 nan 8.150 nan 0.000 0.403 228 Y N 1.004 121.358 120.300 0.091 0.000 2.338 228 Y HA 0.424 4.975 4.550 0.001 0.000 0.328 228 Y C -0.265 175.607 175.900 -0.047 0.000 0.965 228 Y CA -1.328 56.762 58.100 -0.017 0.000 1.208 228 Y CB 1.793 39.980 38.460 -0.456 0.000 1.132 228 Y HN 0.676 nan 8.280 nan 0.000 0.469 229 D N 4.045 124.641 120.400 0.327 0.000 2.380 229 D HA 0.190 4.830 4.640 0.001 0.000 0.230 229 D C 0.782 177.322 176.300 0.400 0.000 1.154 229 D CA 0.129 54.305 54.000 0.294 0.000 0.859 229 D CB 0.875 41.881 40.800 0.343 0.000 1.045 229 D HN 0.628 nan 8.370 nan 0.000 0.495 230 L N 2.761 124.116 121.223 0.221 0.000 2.093 230 L HA 0.032 4.373 4.340 0.001 0.000 0.208 230 L C 1.285 178.618 176.870 0.773 0.000 1.085 230 L CA 0.731 55.769 54.840 0.330 0.000 0.755 230 L CB -0.172 41.982 42.059 0.159 0.000 0.904 230 L HN 0.446 nan 8.230 nan 0.000 0.435 231 M N -0.251 119.726 119.600 0.628 0.000 2.255 231 M HA 0.241 4.722 4.480 0.001 0.000 0.275 231 M C -1.101 175.437 176.300 0.396 0.000 1.050 231 M CA -0.536 55.104 55.300 0.566 0.000 0.978 231 M CB 1.901 34.835 32.600 0.555 0.000 1.761 231 M HN -0.135 nan 8.290 nan 0.000 0.479 232 N N 3.479 122.355 118.700 0.294 0.000 2.483 232 N HA 0.038 4.779 4.740 0.001 0.000 0.264 232 N C -0.739 174.866 175.510 0.158 0.000 1.197 232 N CA 0.966 54.120 53.050 0.173 0.000 0.927 232 N CB 0.511 38.915 38.487 -0.138 0.000 1.065 232 N HN 0.745 nan 8.380 nan 0.000 0.461 233 E N 0.236 120.509 120.200 0.122 0.000 2.131 233 E HA -0.210 4.141 4.350 0.001 0.000 0.166 233 E C -2.077 174.663 176.600 0.233 0.000 1.514 233 E CA -0.048 56.423 56.400 0.118 0.000 0.646 233 E CB -1.244 28.535 29.700 0.132 0.000 1.051 233 E HN 0.590 nan 8.360 nan 0.000 0.315 234 P HA 0.007 nan 4.420 nan 0.000 0.265 234 P C -0.653 176.914 177.300 0.445 0.000 1.187 234 P CA 0.494 63.878 63.100 0.474 0.000 0.766 234 P CB 0.283 32.253 31.700 0.450 0.000 0.820 235 F N 1.971 122.035 119.950 0.190 0.000 2.561 235 F HA 0.575 5.102 4.527 0.001 0.000 0.313 235 F C 0.758 176.166 175.800 -0.653 0.000 1.126 235 F CA -0.495 57.288 58.000 -0.363 0.000 0.918 235 F CB 1.603 40.190 39.000 -0.688 0.000 1.199 235 F HN 0.347 nan 8.300 nan 0.000 0.444 236 G N 2.810 110.407 108.800 -2.005 0.000 3.088 236 G HA2 0.399 4.360 3.960 0.001 0.000 0.217 236 G HA3 0.399 4.360 3.960 0.001 0.000 0.217 236 G C 0.902 175.095 174.900 -1.177 0.000 1.159 236 G CA 0.347 44.068 45.100 -2.299 0.000 0.760 236 G HN 1.480 nan 8.290 nan 0.000 0.550 237 G N 0.745 108.671 108.800 -1.456 0.000 2.602 237 G HA2 -0.370 3.591 3.960 0.001 0.000 0.310 237 G HA3 -0.370 3.591 3.960 0.001 0.000 0.310 237 G C 1.473 176.090 174.900 -0.472 0.000 1.183 237 G CA 0.720 45.442 45.100 -0.631 0.000 0.979 237 G HN 0.644 nan 8.290 nan 0.000 0.545 238 S N 0.765 116.339 115.700 -0.209 0.000 2.561 238 S HA 0.299 4.769 4.470 0.001 0.000 0.225 238 S C 1.035 175.523 174.600 -0.186 0.000 0.977 238 S CA 0.618 58.732 58.200 -0.144 0.000 0.926 238 S CB -0.119 63.053 63.200 -0.046 0.000 0.769 238 S HN 0.459 nan 8.310 nan 0.000 0.533 239 L N 2.351 123.400 121.223 -0.290 0.000 2.295 239 L HA 0.495 4.835 4.340 0.001 0.000 0.285 239 L C -0.113 176.522 176.870 -0.392 0.000 1.035 239 L CA -0.447 54.237 54.840 -0.261 0.000 0.806 239 L CB 0.925 42.869 42.059 -0.192 0.000 1.214 239 L HN 0.087 nan 8.230 nan 0.000 0.426 240 Q N 1.809 121.488 119.800 -0.201 0.000 2.416 240 Q HA 0.615 4.956 4.340 0.001 0.000 0.281 240 Q C 0.097 176.084 176.000 -0.023 0.000 1.067 240 Q CA -0.141 55.567 55.803 -0.159 0.000 0.809 240 Q CB 2.610 31.248 28.738 -0.167 0.000 1.418 240 Q HN 0.796 nan 8.270 nan 0.000 0.411 241 G N 1.768 110.585 108.800 0.028 0.000 2.598 241 G HA2 -0.237 3.724 3.960 0.001 0.000 0.244 241 G HA3 -0.237 3.724 3.960 0.001 0.000 0.244 241 G C -2.010 172.903 174.900 0.022 0.000 1.302 241 G CA -0.164 44.952 45.100 0.027 0.000 0.903 241 G HN 0.477 nan 8.290 nan 0.000 0.575 242 P HA -0.050 nan 4.420 nan 0.000 0.216 242 P C 2.265 179.538 177.300 -0.044 0.000 1.150 242 P CA 3.215 66.295 63.100 -0.033 0.000 0.843 242 P CB -0.272 31.413 31.700 -0.025 0.000 0.787 243 A N -1.217 121.590 122.820 -0.022 0.000 1.917 243 A HA -0.240 4.081 4.320 0.001 0.000 0.219 243 A C 2.098 179.674 177.584 -0.014 0.000 1.182 243 A CA 1.710 53.734 52.037 -0.021 0.000 0.633 243 A CB -1.727 17.264 19.000 -0.015 0.000 0.819 243 A HN 0.187 nan 8.150 nan 0.000 0.448 244 F N 0.701 120.535 119.950 -0.193 0.000 2.118 244 F HA 0.016 4.544 4.527 0.001 0.000 0.293 244 F C 2.116 177.739 175.800 -0.295 0.000 1.102 244 F CA 1.763 59.583 58.000 -0.300 0.000 1.247 244 F CB -0.576 38.207 39.000 -0.362 0.000 1.017 244 F HN 0.346 nan 8.300 nan 0.000 0.475 245 E N 0.142 120.052 120.200 -0.484 0.000 2.106 245 E HA -0.078 4.272 4.350 0.001 0.000 0.192 245 E C 2.068 178.455 176.600 -0.356 0.000 0.984 245 E CA 0.994 57.057 56.400 -0.562 0.000 0.806 245 E CB -0.341 29.203 29.700 -0.260 0.000 0.750 245 E HN 0.433 nan 8.360 nan 0.000 0.458 246 A N 0.843 123.533 122.820 -0.216 0.000 2.218 246 A HA 0.209 4.529 4.320 0.001 0.000 0.209 246 A C 1.500 179.002 177.584 -0.136 0.000 1.168 246 A CA 0.746 52.700 52.037 -0.140 0.000 0.804 246 A CB 0.033 18.982 19.000 -0.085 0.000 0.834 246 A HN 0.268 nan 8.150 nan 0.000 0.482 247 G N 0.007 108.699 108.800 -0.181 0.000 3.223 247 G HA2 0.303 4.264 3.960 0.001 0.000 0.198 247 G HA3 0.303 4.264 3.960 0.001 0.000 0.198 247 G C -0.891 173.909 174.900 -0.167 0.000 1.980 247 G CA 0.414 45.436 45.100 -0.131 0.000 0.828 247 G HN 0.173 nan 8.290 nan 0.000 0.680 248 P HA -0.040 nan 4.420 nan 0.000 0.220 248 P C 2.056 179.197 177.300 -0.265 0.000 1.148 248 P CA 0.573 63.614 63.100 -0.097 0.000 0.803 248 P CB 0.101 31.824 31.700 0.037 0.000 0.782 249 L N 0.619 121.397 121.223 -0.742 0.000 1.976 249 L HA -0.050 4.290 4.340 0.001 0.000 0.209 249 L C 2.552 179.093 176.870 -0.549 0.000 1.071 249 L CA 2.243 56.540 54.840 -0.905 0.000 0.746 249 L CB -1.673 39.544 42.059 -1.405 0.000 0.890 249 L HN -0.079 nan 8.230 nan 0.000 0.432 250 A N -0.574 122.049 122.820 -0.328 0.000 1.933 250 A HA -0.118 4.202 4.320 0.001 0.000 0.218 250 A C 2.431 180.017 177.584 0.002 0.000 1.175 250 A CA 1.929 53.926 52.037 -0.066 0.000 0.628 250 A CB -1.189 17.781 19.000 -0.050 0.000 0.814 250 A HN 0.604 nan 8.150 nan 0.000 0.444 251 A N -0.700 122.100 122.820 -0.033 0.000 1.877 251 A HA -0.158 4.163 4.320 0.001 0.000 0.216 251 A C 2.232 179.863 177.584 0.079 0.000 1.186 251 A CA 2.043 54.097 52.037 0.029 0.000 0.620 251 A CB -0.544 18.472 19.000 0.026 0.000 0.822 251 A HN 0.532 nan 8.150 nan 0.000 0.443 252 M N -1.272 118.383 119.600 0.092 0.000 2.086 252 M HA -0.163 4.318 4.480 0.001 0.000 0.261 252 M C 1.974 178.405 176.300 0.219 0.000 1.067 252 M CA 1.931 57.328 55.300 0.162 0.000 1.116 252 M CB -0.883 31.882 32.600 0.274 0.000 1.348 252 M HN 0.467 nan 8.290 nan 0.000 0.407 253 Y N 0.753 121.143 120.300 0.151 0.000 2.165 253 Y HA -0.252 4.298 4.550 0.001 0.000 0.286 253 Y C 2.721 178.656 175.900 0.059 0.000 1.155 253 Y CA 1.881 60.042 58.100 0.102 0.000 1.164 253 Y CB -1.403 37.097 38.460 0.066 0.000 0.978 253 Y HN 0.394 nan 8.280 nan 0.000 0.513 254 Q N 0.463 120.390 119.800 0.212 0.000 2.046 254 Q HA -0.157 4.184 4.340 0.001 0.000 0.200 254 Q C 2.467 178.528 176.000 0.101 0.000 0.975 254 Q CA 1.763 57.637 55.803 0.118 0.000 0.836 254 Q CB -0.278 28.508 28.738 0.081 0.000 0.896 254 Q HN 0.361 nan 8.270 nan 0.000 0.428 255 R N -1.116 119.453 120.500 0.115 0.000 2.081 255 R HA -0.105 4.236 4.340 0.001 0.000 0.235 255 R C 1.917 178.285 176.300 0.115 0.000 1.131 255 R CA 1.863 58.026 56.100 0.104 0.000 0.960 255 R CB -0.279 30.087 30.300 0.110 0.000 0.856 255 R HN 0.311 nan 8.270 nan 0.000 0.436 256 T N -0.187 114.461 114.554 0.156 0.000 2.777 256 T HA -0.086 4.265 4.350 0.001 0.000 0.266 256 T C 1.700 176.423 174.700 0.039 0.000 1.040 256 T CA 1.753 63.936 62.100 0.138 0.000 1.141 256 T CB -0.295 68.704 68.868 0.218 0.000 0.868 256 T HN 0.355 nan 8.240 nan 0.000 0.444 257 T N 2.241 116.816 114.554 0.035 0.000 2.684 257 T HA -0.149 4.201 4.350 0.001 0.000 0.267 257 T C 1.714 176.420 174.700 0.008 0.000 1.036 257 T CA 1.466 63.562 62.100 -0.006 0.000 1.148 257 T CB -0.551 68.318 68.868 0.002 0.000 0.863 257 T HN 0.323 nan 8.240 nan 0.000 0.436 258 D N 1.181 121.599 120.400 0.029 0.000 2.123 258 D HA -0.037 4.603 4.640 0.001 0.000 0.196 258 D C 2.331 178.649 176.300 0.030 0.000 0.992 258 D CA 1.317 55.333 54.000 0.027 0.000 0.833 258 D CB -0.499 40.322 40.800 0.036 0.000 0.954 258 D HN 0.424 nan 8.370 nan 0.000 0.455 259 A N 0.525 123.370 122.820 0.042 0.000 1.898 259 A HA -0.103 4.218 4.320 0.001 0.000 0.216 259 A C 2.391 179.996 177.584 0.035 0.000 1.181 259 A CA 0.770 52.835 52.037 0.046 0.000 0.620 259 A CB -0.688 18.353 19.000 0.068 0.000 0.819 259 A HN 0.187 nan 8.150 nan 0.000 0.442 260 I N -0.710 119.873 120.570 0.022 0.000 2.208 260 I HA -0.233 3.938 4.170 0.001 0.000 0.245 260 I C 2.275 178.416 176.117 0.040 0.000 1.097 260 I CA 0.995 62.306 61.300 0.017 0.000 1.363 260 I CB -0.206 37.775 38.000 -0.032 0.000 1.051 260 I HN 0.186 nan 8.210 nan 0.000 0.413 261 R N 0.745 121.260 120.500 0.026 0.000 2.339 261 R HA -0.067 4.274 4.340 0.001 0.000 0.199 261 R C 1.880 178.193 176.300 0.021 0.000 1.018 261 R CA 0.532 56.644 56.100 0.020 0.000 1.036 261 R CB -0.345 29.955 30.300 0.000 0.000 0.899 261 R HN 0.587 nan 8.270 nan 0.000 0.473 262 Q N -0.002 119.813 119.800 0.025 0.000 2.230 262 Q HA -0.066 4.275 4.340 0.001 0.000 0.202 262 Q C 1.784 177.801 176.000 0.028 0.000 0.963 262 Q CA 1.573 57.391 55.803 0.025 0.000 0.866 262 Q CB 0.338 29.091 28.738 0.026 0.000 0.931 262 Q HN 0.283 nan 8.270 nan 0.000 0.452 263 V N -4.292 115.644 119.914 0.037 0.000 3.548 263 V HA 0.273 4.393 4.120 0.001 0.000 0.279 263 V C -0.225 175.909 176.094 0.066 0.000 1.446 263 V CA -0.214 62.112 62.300 0.044 0.000 1.023 263 V CB 1.117 32.964 31.823 0.039 0.000 0.820 263 V HN -0.015 nan 8.190 nan 0.000 0.438 264 D N 0.380 120.828 120.400 0.081 0.000 2.616 264 D HA 0.315 4.956 4.640 0.001 0.000 0.238 264 D C 0.462 176.802 176.300 0.066 0.000 1.354 264 D CA -0.181 53.886 54.000 0.112 0.000 0.970 264 D CB 2.134 43.074 40.800 0.233 0.000 1.369 264 D HN 0.038 nan 8.370 nan 0.000 0.585 265 Q N 1.744 121.559 119.800 0.026 0.000 2.354 265 Q HA 0.088 4.429 4.340 0.001 0.000 0.203 265 Q C 0.213 176.170 176.000 -0.072 0.000 0.933 265 Q CA 0.798 56.589 55.803 -0.021 0.000 0.901 265 Q CB 0.740 29.463 28.738 -0.024 0.000 1.007 265 Q HN 0.503 nan 8.270 nan 0.000 0.495 266 D N 0.020 120.386 120.400 -0.058 0.000 2.454 266 D HA 0.046 4.687 4.640 0.001 0.000 0.219 266 D C 0.040 176.248 176.300 -0.153 0.000 1.081 266 D CA 0.271 54.199 54.000 -0.120 0.000 0.867 266 D CB 0.412 41.184 40.800 -0.047 0.000 1.054 266 D HN 0.002 nan 8.370 nan 0.000 0.500 267 T N 1.198 115.702 114.554 -0.083 0.000 2.916 267 T HA -0.041 4.310 4.350 0.001 0.000 0.303 267 T C 0.354 174.980 174.700 -0.123 0.000 1.025 267 T CA -0.230 61.800 62.100 -0.118 0.000 1.142 267 T CB 0.792 69.431 68.868 -0.383 0.000 0.947 267 T HN 0.044 nan 8.240 nan 0.000 0.544 268 W N 2.734 123.943 121.300 -0.152 0.000 2.264 268 W HA 0.222 4.883 4.660 0.002 0.000 0.331 268 W C -0.273 176.181 176.519 -0.108 0.000 1.364 268 W CA -0.382 56.904 57.345 -0.098 0.000 1.253 268 W CB 0.396 29.819 29.460 -0.063 0.000 1.215 268 W HN 0.277 nan 8.180 nan 0.000 0.561 269 V N 5.259 125.216 119.914 0.072 0.000 2.383 269 V HA 0.129 4.250 4.120 0.001 0.000 0.275 269 V C 0.114 176.233 176.094 0.041 0.000 1.036 269 V CA -0.447 61.864 62.300 0.020 0.000 0.889 269 V CB 0.790 32.582 31.823 -0.052 0.000 0.985 269 V HN 0.476 nan 8.190 nan 0.000 0.459 270 C N 5.736 125.048 119.300 0.020 0.000 2.322 270 C HA 0.747 5.208 4.460 0.001 0.000 0.324 270 C C 0.159 175.090 174.990 -0.099 0.000 1.284 270 C CA -0.843 58.192 59.018 0.027 0.000 1.606 270 C CB 0.862 28.664 27.740 0.103 0.000 2.251 270 C HN 0.767 nan 8.230 nan 0.000 0.502 271 V N 1.005 120.826 119.914 -0.156 0.000 2.680 271 V HA 0.998 5.119 4.120 0.001 0.000 0.309 271 V C -0.087 175.962 176.094 -0.075 0.000 1.052 271 V CA -0.473 61.567 62.300 -0.433 0.000 0.908 271 V CB 1.403 32.764 31.823 -0.770 0.000 1.001 271 V HN 1.073 nan 8.190 nan 0.000 0.431 272 A N 5.249 128.093 122.820 0.039 0.000 2.337 272 A HA 1.036 5.357 4.320 0.001 0.000 0.331 272 A C -2.612 175.140 177.584 0.280 0.000 1.137 272 A CA -2.002 50.102 52.037 0.112 0.000 0.807 272 A CB 1.538 20.585 19.000 0.079 0.000 1.250 272 A HN 0.811 nan 8.150 nan 0.000 0.468 273 P HA 0.220 nan 4.420 nan 0.000 0.279 273 P C -0.727 176.664 177.300 0.152 0.000 1.282 273 P CA -0.425 62.803 63.100 0.214 0.000 0.788 273 P CB 0.347 32.185 31.700 0.230 0.000 1.139 274 Q N -0.314 119.567 119.800 0.136 0.000 2.395 274 Q HA 0.242 4.583 4.340 0.001 0.000 0.271 274 Q C 0.713 176.796 176.000 0.139 0.000 1.026 274 Q CA -0.140 55.784 55.803 0.202 0.000 0.900 274 Q CB 0.407 29.317 28.738 0.286 0.000 1.266 274 Q HN 0.426 nan 8.270 nan 0.000 0.430 275 A N 3.653 126.545 122.820 0.119 0.000 1.855 275 A HA 0.005 4.326 4.320 0.001 0.000 0.213 275 A C 0.898 178.527 177.584 0.074 0.000 1.195 275 A CA 0.252 52.338 52.037 0.081 0.000 0.610 275 A CB -0.182 18.851 19.000 0.056 0.000 0.837 275 A HN 0.797 nan 8.150 nan 0.000 0.444 276 I N -0.127 120.462 120.570 0.032 0.000 2.618 276 I HA 0.395 4.565 4.170 0.001 0.000 0.284 276 I C 1.414 177.558 176.117 0.044 0.000 1.146 276 I CA 1.235 62.538 61.300 0.004 0.000 1.425 276 I CB 0.249 38.228 38.000 -0.035 0.000 1.383 276 I HN 0.761 nan 8.210 nan 0.000 0.562 277 G N 4.818 113.648 108.800 0.049 0.000 3.329 277 G HA2 -0.310 3.651 3.960 0.001 0.000 0.220 277 G HA3 -0.310 3.651 3.960 0.001 0.000 0.220 277 G C 0.922 175.884 174.900 0.103 0.000 1.358 277 G CA 0.312 45.450 45.100 0.063 0.000 0.856 277 G HN 0.647 nan 8.290 nan 0.000 0.551 278 V N 1.799 121.784 119.914 0.119 0.000 2.427 278 V HA -0.129 3.992 4.120 0.001 0.000 0.248 278 V C 2.556 178.796 176.094 0.243 0.000 1.051 278 V CA 2.549 64.946 62.300 0.161 0.000 1.048 278 V CB -0.630 31.282 31.823 0.148 0.000 0.666 278 V HN 0.506 nan 8.190 nan 0.000 0.456 279 N N 0.519 119.354 118.700 0.226 0.000 2.192 279 N HA -0.198 4.542 4.740 0.001 0.000 0.188 279 N C 1.753 177.409 175.510 0.243 0.000 1.013 279 N CA 1.251 54.468 53.050 0.279 0.000 0.863 279 N CB -0.287 38.373 38.487 0.289 0.000 0.990 279 N HN 0.541 nan 8.380 nan 0.000 0.430 280 Q N -1.369 118.547 119.800 0.192 0.000 2.360 280 Q HA 0.365 4.706 4.340 0.001 0.000 0.202 280 Q C 0.870 176.968 176.000 0.164 0.000 0.915 280 Q CA 0.436 56.330 55.803 0.152 0.000 0.943 280 Q CB 0.497 29.298 28.738 0.104 0.000 1.064 280 Q HN 0.358 nan 8.270 nan 0.000 0.511 281 G N -0.729 108.208 108.800 0.228 0.000 2.168 281 G HA2 -0.193 3.768 3.960 0.001 0.000 0.197 281 G HA3 -0.193 3.768 3.960 0.001 0.000 0.197 281 G C -0.435 174.551 174.900 0.142 0.000 0.997 281 G CA -0.564 44.674 45.100 0.230 0.000 0.658 281 G HN 0.147 nan 8.290 nan 0.000 0.513 282 L N 2.241 123.535 121.223 0.118 0.000 2.453 282 L HA 0.531 4.871 4.340 0.001 0.000 0.261 282 L C -1.303 175.604 176.870 0.062 0.000 1.179 282 L CA -1.817 53.066 54.840 0.072 0.000 0.813 282 L CB 0.210 42.305 42.059 0.060 0.000 1.110 282 L HN -0.034 nan 8.230 nan 0.000 0.466 283 P HA 0.067 nan 4.420 nan 0.000 0.272 283 P C -0.821 176.502 177.300 0.040 0.000 1.223 283 P CA -0.396 62.712 63.100 0.014 0.000 0.784 283 P CB 0.959 32.639 31.700 -0.034 0.000 0.923 284 S N 0.458 116.193 115.700 0.058 0.000 2.541 284 S HA 0.517 4.988 4.470 0.001 0.000 0.283 284 S C 1.273 175.895 174.600 0.035 0.000 1.196 284 S CA -0.331 57.908 58.200 0.065 0.000 1.062 284 S CB 0.106 63.375 63.200 0.115 0.000 1.009 284 S HN 0.537 nan 8.310 nan 0.000 0.502 285 G N 3.325 112.131 108.800 0.010 0.000 3.284 285 G HA2 0.195 4.156 3.960 0.001 0.000 0.236 285 G HA3 0.195 4.156 3.960 0.001 0.000 0.236 285 G C 0.175 175.051 174.900 -0.041 0.000 1.158 285 G CA -0.289 44.803 45.100 -0.013 0.000 0.774 285 G HN 0.607 nan 8.290 nan 0.000 0.545 286 L N 2.976 124.177 121.223 -0.037 0.000 2.514 286 L HA 0.360 4.701 4.340 0.001 0.000 0.280 286 L C 0.848 177.674 176.870 -0.072 0.000 1.223 286 L CA 0.280 55.092 54.840 -0.047 0.000 0.864 286 L CB 0.609 42.675 42.059 0.012 0.000 1.118 286 L HN 0.153 nan 8.230 nan 0.000 0.494 287 T N 1.833 116.352 114.554 -0.058 0.000 2.949 287 T HA 0.379 4.730 4.350 0.001 0.000 0.287 287 T C -0.168 174.498 174.700 -0.057 0.000 1.034 287 T CA -1.090 60.971 62.100 -0.064 0.000 1.018 287 T CB 0.985 69.823 68.868 -0.050 0.000 1.135 287 T HN 0.658 nan 8.240 nan 0.000 0.532 288 K N 0.802 121.161 120.400 -0.067 0.000 2.448 288 K HA 0.198 4.519 4.320 0.001 0.000 0.278 288 K C -0.533 176.050 176.600 -0.029 0.000 1.009 288 K CA -0.417 55.832 56.287 -0.063 0.000 0.995 288 K CB 0.145 32.605 32.500 -0.067 0.000 0.917 288 K HN 0.434 nan 8.250 nan 0.000 0.481 289 I N 3.730 124.285 120.570 -0.025 0.000 2.412 289 I HA 0.169 4.340 4.170 0.001 0.000 0.296 289 I C -0.180 175.927 176.117 -0.017 0.000 0.987 289 I CA -0.650 60.649 61.300 -0.002 0.000 1.180 289 I CB 1.488 39.491 38.000 0.005 0.000 1.340 289 I HN 0.617 nan 8.210 nan 0.000 0.455 290 D N 4.261 124.656 120.400 -0.009 0.000 2.264 290 D HA 0.141 4.782 4.640 0.001 0.000 0.250 290 D C -0.315 175.971 176.300 -0.023 0.000 1.113 290 D CA 0.006 53.996 54.000 -0.018 0.000 0.871 290 D CB 1.682 42.476 40.800 -0.011 0.000 1.167 290 D HN 0.344 nan 8.370 nan 0.000 0.447 291 D N 2.438 122.815 120.400 -0.038 0.000 2.373 291 D HA 0.166 4.807 4.640 0.001 0.000 0.227 291 D C -1.578 174.694 176.300 -0.046 0.000 1.091 291 D CA -1.955 52.013 54.000 -0.053 0.000 0.840 291 D CB 1.667 42.416 40.800 -0.085 0.000 1.060 291 D HN 0.056 nan 8.370 nan 0.000 0.502 292 P HA -0.018 nan 4.420 nan 0.000 0.245 292 P C 0.314 177.592 177.300 -0.036 0.000 1.212 292 P CA -0.009 63.074 63.100 -0.028 0.000 0.774 292 P CB 0.001 31.692 31.700 -0.015 0.000 0.999 293 R N 0.494 120.961 120.500 -0.055 0.000 2.623 293 R HA 0.365 4.705 4.340 0.001 0.000 0.271 293 R C -0.032 176.235 176.300 -0.055 0.000 1.043 293 R CA -0.350 55.713 56.100 -0.062 0.000 1.083 293 R CB 0.016 30.257 30.300 -0.099 0.000 0.974 293 R HN -0.119 nan 8.270 nan 0.000 0.436 294 A N 2.773 125.567 122.820 -0.044 0.000 2.520 294 A HA 0.459 4.780 4.320 0.001 0.000 0.245 294 A C 1.058 178.614 177.584 -0.047 0.000 1.072 294 A CA 0.714 52.729 52.037 -0.037 0.000 0.761 294 A CB -0.498 18.486 19.000 -0.027 0.000 1.004 294 A HN 1.314 nan 8.150 nan 0.000 0.499 295 G N 1.592 110.368 108.800 -0.041 0.000 2.512 295 G HA2 -0.113 3.848 3.960 0.001 0.000 0.210 295 G HA3 -0.113 3.848 3.960 0.001 0.000 0.210 295 G C -0.314 174.554 174.900 -0.053 0.000 1.295 295 G CA -0.100 44.974 45.100 -0.042 0.000 0.934 295 G HN 1.038 nan 8.290 nan 0.000 0.554 296 Q N 0.347 120.114 119.800 -0.055 0.000 2.352 296 Q HA 0.350 4.691 4.340 0.001 0.000 0.260 296 Q C 0.828 176.769 176.000 -0.098 0.000 0.976 296 Q CA -0.001 55.770 55.803 -0.053 0.000 0.881 296 Q CB 0.797 29.520 28.738 -0.024 0.000 1.235 296 Q HN 0.651 nan 8.270 nan 0.000 0.419 297 Q N 1.877 121.630 119.800 -0.079 0.000 2.315 297 Q HA -0.081 4.260 4.340 0.001 0.000 0.289 297 Q C -0.556 175.334 176.000 -0.183 0.000 1.044 297 Q CA 0.725 56.464 55.803 -0.107 0.000 0.920 297 Q CB 0.507 29.211 28.738 -0.056 0.000 1.214 297 Q HN 0.434 nan 8.270 nan 0.000 0.392 298 R N 4.696 124.998 120.500 -0.330 0.000 2.868 298 R HA 0.350 4.691 4.340 0.001 0.000 0.289 298 R C -0.922 175.136 176.300 -0.403 0.000 1.443 298 R CA -0.408 55.255 56.100 -0.729 0.000 1.651 298 R CB 0.537 30.045 30.300 -1.321 0.000 1.242 298 R HN 0.507 nan 8.270 nan 0.000 0.621 299 I N 1.030 121.583 120.570 -0.028 0.000 2.441 299 I HA 0.582 4.753 4.170 0.001 0.000 0.295 299 I C 0.244 176.525 176.117 0.273 0.000 0.994 299 I CA -0.939 60.419 61.300 0.096 0.000 1.144 299 I CB 1.673 39.679 38.000 0.010 0.000 1.314 299 I HN 0.300 nan 8.210 nan 0.000 0.445 300 A N 5.376 128.352 122.820 0.259 0.000 2.469 300 A HA 0.683 5.004 4.320 0.001 0.000 0.299 300 A C -1.841 175.838 177.584 0.159 0.000 1.098 300 A CA -0.491 51.657 52.037 0.184 0.000 0.737 300 A CB 1.701 20.767 19.000 0.110 0.000 1.312 300 A HN 0.531 nan 8.150 nan 0.000 0.414 301 Y N 0.240 120.527 120.300 -0.022 0.000 2.331 301 Y HA 0.494 5.045 4.550 0.001 0.000 0.338 301 Y C -0.402 175.504 175.900 0.011 0.000 0.992 301 Y CA -1.500 56.581 58.100 -0.033 0.000 1.121 301 Y CB 1.448 39.870 38.460 -0.064 0.000 1.184 301 Y HN 0.571 nan 8.280 nan 0.000 0.469 302 C N 9.494 128.651 119.300 -0.239 0.000 3.276 302 C HA 0.329 4.790 4.460 0.001 0.000 0.226 302 C C -2.256 172.622 174.990 -0.188 0.000 1.502 302 C CA -1.330 57.614 59.018 -0.122 0.000 1.488 302 C CB -0.872 26.910 27.740 0.071 0.000 2.014 302 C HN 0.622 nan 8.230 nan 0.000 0.492 303 P HA 0.244 nan 4.420 nan 0.000 0.276 303 P C -0.661 176.817 177.300 0.296 0.000 1.261 303 P CA 0.387 63.390 63.100 -0.161 0.000 0.800 303 P CB 0.968 32.531 31.700 -0.229 0.000 1.066 304 H N -0.813 118.382 119.070 0.209 0.000 2.651 304 H HA 0.602 5.159 4.556 0.001 0.000 0.353 304 H C -0.777 174.576 175.328 0.041 0.000 1.178 304 H CA -1.048 55.083 56.048 0.139 0.000 1.224 304 H CB 1.664 31.558 29.762 0.220 0.000 1.702 304 H HN 0.204 nan 8.280 nan 0.000 0.550 305 L N 2.290 123.370 121.223 -0.239 0.000 2.406 305 L HA 0.280 4.621 4.340 0.001 0.000 0.270 305 L C -1.980 174.568 176.870 -0.537 0.000 0.982 305 L CA -0.473 54.031 54.840 -0.560 0.000 0.843 305 L CB 0.389 41.768 42.059 -1.133 0.000 1.225 305 L HN 0.554 nan 8.230 nan 0.000 0.412 306 Y N 5.520 125.823 120.300 0.005 0.000 2.563 306 Y HA 0.449 5.000 4.550 0.001 0.000 0.351 306 Y C -2.325 173.591 175.900 0.026 0.000 1.087 306 Y CA -2.249 55.881 58.100 0.051 0.000 1.272 306 Y CB 0.971 39.483 38.460 0.086 0.000 1.095 306 Y HN 0.532 nan 8.280 nan 0.000 0.620 307 P HA 0.056 nan 4.420 nan 0.000 0.266 307 P C 1.067 178.400 177.300 0.055 0.000 1.195 307 P CA 0.221 63.355 63.100 0.057 0.000 0.768 307 P CB 1.081 32.779 31.700 -0.004 0.000 0.838 308 L N 4.886 126.141 121.223 0.053 0.000 2.012 308 L HA -0.151 4.190 4.340 0.001 0.000 0.210 308 L C -0.522 176.361 176.870 0.022 0.000 1.073 308 L CA 2.096 56.960 54.840 0.040 0.000 0.748 308 L CB -1.822 40.257 42.059 0.034 0.000 0.891 308 L HN 0.457 nan 8.230 nan 0.000 0.431 309 P HA -0.160 nan 4.420 nan 0.000 0.219 309 P C 1.705 178.999 177.300 -0.010 0.000 1.146 309 P CA 1.270 64.372 63.100 0.003 0.000 0.808 309 P CB 0.040 31.743 31.700 0.005 0.000 0.779 310 L N -1.865 119.334 121.223 -0.040 0.000 2.395 310 L HA 0.002 4.343 4.340 0.001 0.000 0.218 310 L C 0.742 177.625 176.870 0.022 0.000 1.130 310 L CA 0.540 55.341 54.840 -0.065 0.000 0.826 310 L CB -0.626 41.317 42.059 -0.194 0.000 0.941 310 L HN -0.015 nan 8.230 nan 0.000 0.451 317 E N 0.562 120.684 120.200 -0.131 0.000 2.430 317 E HA 0.600 4.950 4.350 0.001 0.000 0.279 317 E C 0.446 176.986 176.600 -0.100 0.000 1.003 317 E CA -1.218 55.103 56.400 -0.131 0.000 0.801 317 E CB 1.831 31.499 29.700 -0.052 0.000 1.313 317 E HN 0.510 nan 8.360 nan 0.000 0.459 318 G N 0.680 109.430 108.800 -0.083 0.000 2.547 318 G HA2 -0.347 3.614 3.960 0.001 0.000 0.271 318 G HA3 -0.347 3.614 3.960 0.001 0.000 0.271 318 G C 0.513 175.379 174.900 -0.057 0.000 1.209 318 G CA 0.331 45.398 45.100 -0.054 0.000 0.959 318 G HN 0.740 nan 8.290 nan 0.000 0.563 319 L N 1.041 122.242 121.223 -0.036 0.000 2.131 319 L HA 0.289 4.630 4.340 0.001 0.000 0.210 319 L C 3.268 180.120 176.870 -0.030 0.000 1.092 319 L CA 3.134 57.958 54.840 -0.027 0.000 0.759 319 L CB -1.051 40.999 42.059 -0.015 0.000 0.903 319 L HN 1.414 nan 8.230 nan 0.000 0.435 320 A N 0.007 122.807 122.820 -0.034 0.000 1.940 320 A HA -0.287 4.034 4.320 0.001 0.000 0.219 320 A C 2.515 180.072 177.584 -0.046 0.000 1.176 320 A CA 1.947 53.968 52.037 -0.026 0.000 0.631 320 A CB -0.697 18.292 19.000 -0.018 0.000 0.814 320 A HN 0.606 nan 8.150 nan 0.000 0.446 321 R N -0.797 119.617 120.500 -0.144 0.000 2.075 321 R HA -0.106 4.234 4.340 0.001 0.000 0.232 321 R C 1.984 178.223 176.300 -0.101 0.000 1.126 321 R CA 2.102 58.016 56.100 -0.310 0.000 0.963 321 R CB -0.898 29.115 30.300 -0.477 0.000 0.858 321 R HN 0.384 nan 8.270 nan 0.000 0.435 322 T N 1.790 116.308 114.554 -0.060 0.000 2.720 322 T HA -0.105 4.246 4.350 0.001 0.000 0.268 322 T C 1.840 176.551 174.700 0.019 0.000 1.037 322 T CA 1.564 63.657 62.100 -0.012 0.000 1.144 322 T CB -0.161 68.700 68.868 -0.013 0.000 0.864 322 T HN 0.174 nan 8.240 nan 0.000 0.444 323 L N 0.570 121.803 121.223 0.017 0.000 2.046 323 L HA -0.116 4.225 4.340 0.001 0.000 0.208 323 L C 2.924 179.830 176.870 0.059 0.000 1.077 323 L CA 1.211 56.070 54.840 0.033 0.000 0.747 323 L CB -0.955 41.118 42.059 0.023 0.000 0.896 323 L HN 0.281 nan 8.230 nan 0.000 0.432 324 T N -1.233 113.371 114.554 0.083 0.000 2.777 324 T HA -0.153 4.198 4.350 0.001 0.000 0.266 324 T C 1.464 176.266 174.700 0.170 0.000 1.040 324 T CA 1.204 63.382 62.100 0.130 0.000 1.141 324 T CB -0.170 68.810 68.868 0.187 0.000 0.868 324 T HN 0.280 nan 8.240 nan 0.000 0.444 325 D N 1.097 121.598 120.400 0.168 0.000 2.117 325 D HA -0.092 4.549 4.640 0.001 0.000 0.197 325 D C 2.393 178.749 176.300 0.094 0.000 0.987 325 D CA 1.280 55.361 54.000 0.136 0.000 0.829 325 D CB -0.434 40.428 40.800 0.104 0.000 0.961 325 D HN 0.417 nan 8.370 nan 0.000 0.460 326 V N -1.370 118.590 119.914 0.076 0.000 2.667 326 V HA -0.110 4.011 4.120 0.001 0.000 0.252 326 V C 2.132 178.277 176.094 0.085 0.000 1.065 326 V CA 1.591 63.931 62.300 0.067 0.000 1.083 326 V CB -0.992 30.860 31.823 0.048 0.000 0.692 326 V HN -0.018 nan 8.190 nan 0.000 0.468 327 T N 1.373 115.984 114.554 0.095 0.000 2.708 327 T HA -0.057 4.294 4.350 0.001 0.000 0.266 327 T C 1.836 176.630 174.700 0.156 0.000 1.037 327 T CA 2.371 64.540 62.100 0.116 0.000 1.146 327 T CB -0.416 68.512 68.868 0.100 0.000 0.865 327 T HN 0.503 nan 8.240 nan 0.000 0.435 328 I N 1.208 121.856 120.570 0.129 0.000 2.226 328 I HA -0.189 3.981 4.170 0.001 0.000 0.245 328 I C 2.344 178.579 176.117 0.197 0.000 1.100 328 I CA 1.185 62.566 61.300 0.135 0.000 1.374 328 I CB -0.378 37.649 38.000 0.045 0.000 1.057 328 I HN 0.142 nan 8.210 nan 0.000 0.413 329 D N 1.072 121.549 120.400 0.129 0.000 2.104 329 D HA -0.166 4.475 4.640 0.001 0.000 0.194 329 D C 2.268 178.631 176.300 0.104 0.000 0.994 329 D CA 1.698 55.757 54.000 0.099 0.000 0.830 329 D CB -0.220 40.619 40.800 0.064 0.000 0.959 329 D HN 0.360 nan 8.370 nan 0.000 0.452 330 A N 0.190 123.081 122.820 0.117 0.000 1.877 330 A HA -0.165 4.156 4.320 0.001 0.000 0.216 330 A C 2.187 179.849 177.584 0.129 0.000 1.186 330 A CA 1.497 53.594 52.037 0.100 0.000 0.620 330 A CB -1.295 17.765 19.000 0.100 0.000 0.822 330 A HN 0.417 nan 8.150 nan 0.000 0.443 331 W N 0.767 122.077 121.300 0.016 0.000 2.338 331 W HA -0.224 4.437 4.660 0.001 0.000 0.304 331 W C 2.433 178.961 176.519 0.015 0.000 1.212 331 W CA 2.256 59.613 57.345 0.019 0.000 1.264 331 W CB -0.174 29.290 29.460 0.006 0.000 1.142 331 W HN 0.334 nan 8.180 nan 0.000 0.512 332 R N 0.408 120.991 120.500 0.138 0.000 2.073 332 R HA -0.174 4.167 4.340 0.001 0.000 0.234 332 R C 2.291 178.500 176.300 -0.152 0.000 1.134 332 R CA 2.121 58.177 56.100 -0.073 0.000 0.952 332 R CB -0.855 29.500 30.300 0.090 0.000 0.850 332 R HN 0.193 nan 8.270 nan 0.000 0.433 333 A N 1.250 124.032 122.820 -0.064 0.000 1.877 333 A HA -0.188 4.132 4.320 0.001 0.000 0.216 333 A C 1.830 179.369 177.584 -0.074 0.000 1.186 333 A CA 1.740 53.743 52.037 -0.056 0.000 0.620 333 A CB -0.627 18.356 19.000 -0.027 0.000 0.822 333 A HN 0.449 nan 8.150 nan 0.000 0.443 334 N N -0.393 118.245 118.700 -0.103 0.000 2.142 334 N HA -0.091 4.649 4.740 0.001 0.000 0.186 334 N C 1.789 177.234 175.510 -0.108 0.000 1.023 334 N CA 1.880 54.880 53.050 -0.082 0.000 0.852 334 N CB -0.899 37.547 38.487 -0.068 0.000 0.998 334 N HN 0.475 nan 8.380 nan 0.000 0.424 335 T N 1.400 115.765 114.554 -0.314 0.000 2.684 335 T HA -0.099 4.252 4.350 0.001 0.000 0.267 335 T C 1.992 176.602 174.700 -0.151 0.000 1.036 335 T CA 1.540 63.465 62.100 -0.291 0.000 1.148 335 T CB -0.415 67.915 68.868 -0.896 0.000 0.863 335 T HN 0.340 nan 8.240 nan 0.000 0.436 336 A N 1.097 123.812 122.820 -0.175 0.000 1.908 336 A HA -0.218 4.103 4.320 0.001 0.000 0.218 336 A C 2.006 179.534 177.584 -0.092 0.000 1.181 336 A CA 2.465 54.434 52.037 -0.113 0.000 0.627 336 A CB -1.049 17.899 19.000 -0.087 0.000 0.818 336 A HN 0.718 nan 8.150 nan 0.000 0.445 337 H N -0.340 118.642 119.070 -0.145 0.000 2.290 337 H HA -0.098 4.459 4.556 0.001 0.000 0.298 337 H C 2.083 177.297 175.328 -0.189 0.000 1.087 337 H CA 2.523 58.488 56.048 -0.138 0.000 1.291 337 H CB -0.431 29.262 29.762 -0.115 0.000 1.369 337 H HN 0.362 nan 8.280 nan 0.000 0.492 338 T N 0.258 114.634 114.554 -0.298 0.000 2.867 338 T HA -0.038 4.313 4.350 0.001 0.000 0.268 338 T C 2.195 176.513 174.700 -0.636 0.000 1.057 338 T CA 0.993 62.776 62.100 -0.528 0.000 1.136 338 T CB -0.599 67.922 68.868 -0.578 0.000 0.874 338 T HN 0.559 nan 8.240 nan 0.000 0.466 339 A N 1.877 124.407 122.820 -0.483 0.000 1.933 339 A HA -0.123 4.197 4.320 0.001 0.000 0.218 339 A C 2.382 179.820 177.584 -0.243 0.000 1.175 339 A CA 1.271 53.125 52.037 -0.305 0.000 0.628 339 A CB -0.432 18.496 19.000 -0.120 0.000 0.814 339 A HN 0.384 nan 8.150 nan 0.000 0.444 340 R N -0.749 119.597 120.500 -0.256 0.000 2.070 340 R HA -0.086 4.255 4.340 0.001 0.000 0.233 340 R C 2.072 178.220 176.300 -0.254 0.000 1.137 340 R CA 1.497 57.463 56.100 -0.223 0.000 0.945 340 R CB -0.708 29.467 30.300 -0.208 0.000 0.845 340 R HN 0.380 nan 8.270 nan 0.000 0.430 341 V N 1.860 121.550 119.914 -0.373 0.000 2.324 341 V HA -0.243 3.878 4.120 0.001 0.000 0.250 341 V C 2.208 178.168 176.094 -0.222 0.000 1.060 341 V CA 1.684 63.794 62.300 -0.316 0.000 1.042 341 V CB -0.424 31.170 31.823 -0.381 0.000 0.650 341 V HN 0.324 nan 8.190 nan 0.000 0.450 342 L N 0.081 121.158 121.223 -0.243 0.000 2.551 342 L HA 0.187 4.528 4.340 0.001 0.000 0.228 342 L C 1.431 178.234 176.870 -0.111 0.000 1.153 342 L CA 0.959 55.696 54.840 -0.173 0.000 0.851 342 L CB -0.430 41.511 42.059 -0.197 0.000 0.959 342 L HN 0.593 nan 8.230 nan 0.000 0.451 343 G N -0.341 108.392 108.800 -0.112 0.000 2.245 343 G HA2 -0.165 3.795 3.960 0.001 0.000 0.130 343 G HA3 -0.165 3.795 3.960 0.001 0.000 0.130 343 G C -0.214 174.653 174.900 -0.055 0.000 1.040 343 G CA -0.436 44.621 45.100 -0.071 0.000 0.713 343 G HN 0.285 nan 8.290 nan 0.000 0.488 344 D N -1.487 118.866 120.400 -0.078 0.000 2.697 344 D HA -0.167 4.474 4.640 0.001 0.000 0.238 344 D C 1.087 177.367 176.300 -0.033 0.000 1.152 344 D CA 1.440 55.404 54.000 -0.060 0.000 0.666 344 D CB -1.708 39.069 40.800 -0.039 0.000 1.037 344 D HN 1.678 nan 8.370 nan 0.000 0.423 345 V N -3.048 116.843 119.914 -0.038 0.000 2.863 345 V HA 0.720 4.841 4.120 0.001 0.000 0.307 345 V C -2.085 174.000 176.094 -0.015 0.000 1.061 345 V CA -1.619 60.688 62.300 0.011 0.000 1.024 345 V CB 1.187 33.029 31.823 0.030 0.000 1.049 345 V HN -0.168 nan 8.190 nan 0.000 0.471 346 P HA 0.429 nan 4.420 nan 0.000 0.272 346 P C -0.733 176.524 177.300 -0.073 0.000 1.223 346 P CA 0.034 63.062 63.100 -0.120 0.000 0.784 346 P CB 0.369 31.950 31.700 -0.198 0.000 0.923 347 I N 2.117 122.617 120.570 -0.117 0.000 2.474 347 I HA 0.416 4.587 4.170 0.001 0.000 0.294 347 I C -0.033 176.038 176.117 -0.076 0.000 1.005 347 I CA -0.544 60.727 61.300 -0.049 0.000 1.113 347 I CB 1.333 39.305 38.000 -0.046 0.000 1.289 347 I HN 0.084 nan 8.210 nan 0.000 0.436 348 I N 6.466 127.017 120.570 -0.031 0.000 2.447 348 I HA 0.206 4.377 4.170 0.001 0.000 0.287 348 I C -0.674 175.495 176.117 0.085 0.000 1.023 348 I CA -0.862 60.434 61.300 -0.006 0.000 1.083 348 I CB 2.026 40.026 38.000 0.001 0.000 1.245 348 I HN 0.336 nan 8.210 nan 0.000 0.434 349 L N 6.779 128.068 121.223 0.111 0.000 2.536 349 L HA 0.307 4.648 4.340 0.001 0.000 0.282 349 L C 1.248 178.227 176.870 0.182 0.000 1.174 349 L CA 0.468 55.404 54.840 0.160 0.000 0.989 349 L CB 0.377 42.454 42.059 0.029 0.000 1.311 349 L HN 0.734 nan 8.230 nan 0.000 0.455 350 G N 4.142 113.103 108.800 0.268 0.000 2.448 350 G HA2 -0.050 3.911 3.960 0.001 0.000 0.218 350 G HA3 -0.050 3.911 3.960 0.001 0.000 0.218 350 G C 0.277 175.218 174.900 0.068 0.000 1.135 350 G CA 0.225 45.498 45.100 0.287 0.000 0.784 350 G HN 0.612 nan 8.290 nan 0.000 0.543 351 E N -1.215 118.896 120.200 -0.149 0.000 2.335 351 E HA 0.503 4.854 4.350 0.001 0.000 0.280 351 E C -1.644 174.819 176.600 -0.227 0.000 0.918 351 E CA -0.827 55.436 56.400 -0.228 0.000 0.765 351 E CB 2.516 31.893 29.700 -0.539 0.000 1.218 351 E HN 0.175 nan 8.360 nan 0.000 0.425 352 F N -0.079 119.594 119.950 -0.461 0.000 2.713 352 F HA 0.878 5.406 4.527 0.001 0.000 0.311 352 F C -0.796 174.679 175.800 -0.542 0.000 1.141 352 F CA -0.485 57.089 58.000 -0.710 0.000 0.939 352 F CB 1.759 40.381 39.000 -0.630 0.000 1.325 352 F HN 0.556 nan 8.300 nan 0.000 0.453 353 G N 1.370 109.715 108.800 -0.758 0.000 2.361 353 G HA2 0.599 4.560 3.960 0.001 0.000 0.299 353 G HA3 0.599 4.560 3.960 0.001 0.000 0.299 353 G C -2.352 172.186 174.900 -0.604 0.000 1.544 353 G CA -0.351 44.248 45.100 -0.835 0.000 0.860 353 G HN 1.787 nan 8.290 nan 0.000 0.610 354 L N -1.882 118.814 121.223 -0.878 0.000 2.838 354 L HA 0.795 5.136 4.340 0.001 0.000 0.266 354 L C -1.454 174.607 176.870 -1.349 0.000 1.040 354 L CA -1.191 52.812 54.840 -1.395 0.000 0.906 354 L CB 2.076 43.802 42.059 -0.555 0.000 1.501 354 L HN 0.496 nan 8.230 nan 0.000 0.407 355 D N 1.681 121.379 120.400 -1.170 0.000 2.368 355 D HA 0.050 4.691 4.640 0.001 0.000 0.268 355 D C 1.305 177.504 176.300 -0.169 0.000 1.298 355 D CA 0.759 54.513 54.000 -0.409 0.000 0.938 355 D CB 1.375 42.148 40.800 -0.044 0.000 1.101 355 D HN 0.761 nan 8.370 nan 0.000 0.509 356 T N -0.334 114.180 114.554 -0.066 0.000 3.098 356 T HA -0.156 4.194 4.350 0.001 0.000 0.266 356 T C 1.553 176.261 174.700 0.014 0.000 1.145 356 T CA 1.283 63.377 62.100 -0.010 0.000 1.092 356 T CB -0.364 68.510 68.868 0.008 0.000 0.908 356 T HN 0.393 nan 8.240 nan 0.000 0.526 357 T N -0.345 114.225 114.554 0.027 0.000 3.129 357 T HA 0.350 4.701 4.350 0.001 0.000 0.251 357 T C 0.564 175.286 174.700 0.035 0.000 1.117 357 T CA -0.458 61.665 62.100 0.038 0.000 1.034 357 T CB -0.601 68.300 68.868 0.055 0.000 0.968 357 T HN 0.393 nan 8.240 nan 0.000 0.526 358 L N 2.413 123.649 121.223 0.022 0.000 2.367 358 L HA 0.363 4.704 4.340 0.001 0.000 0.275 358 L C -2.188 174.706 176.870 0.040 0.000 1.129 358 L CA -2.382 52.473 54.840 0.026 0.000 0.839 358 L CB 0.269 42.331 42.059 0.004 0.000 1.133 358 L HN -0.025 nan 8.230 nan 0.000 0.453 359 P HA 0.017 nan 4.420 nan 0.000 0.264 359 P C 0.785 178.141 177.300 0.094 0.000 1.183 359 P CA 0.705 63.840 63.100 0.058 0.000 0.763 359 P CB 0.689 32.416 31.700 0.045 0.000 0.807 360 G N 2.374 111.244 108.800 0.117 0.000 2.199 360 G HA2 -0.333 3.627 3.960 0.001 0.000 0.254 360 G HA3 -0.333 3.627 3.960 0.001 0.000 0.254 360 G C 1.213 176.236 174.900 0.206 0.000 0.982 360 G CA 0.543 45.772 45.100 0.215 0.000 0.632 360 G HN 0.680 nan 8.290 nan 0.000 0.529 361 A N 0.353 123.242 122.820 0.115 0.000 1.883 361 A HA 0.003 4.324 4.320 0.001 0.000 0.217 361 A C 2.168 179.823 177.584 0.120 0.000 1.186 361 A CA 2.546 54.636 52.037 0.089 0.000 0.624 361 A CB -0.516 18.514 19.000 0.049 0.000 0.822 361 A HN 0.690 nan 8.150 nan 0.000 0.444 362 R N -0.477 120.081 120.500 0.097 0.000 2.081 362 R HA -0.158 4.183 4.340 0.001 0.000 0.235 362 R C 1.547 177.904 176.300 0.094 0.000 1.131 362 R CA 1.815 57.966 56.100 0.084 0.000 0.960 362 R CB -0.327 30.009 30.300 0.059 0.000 0.856 362 R HN 0.461 nan 8.270 nan 0.000 0.436 363 D N -0.592 119.883 120.400 0.124 0.000 2.123 363 D HA -0.213 4.428 4.640 0.001 0.000 0.196 363 D C 1.543 177.907 176.300 0.106 0.000 0.992 363 D CA 1.209 55.293 54.000 0.141 0.000 0.833 363 D CB -0.410 40.527 40.800 0.228 0.000 0.954 363 D HN 0.293 nan 8.370 nan 0.000 0.455 364 Y N 1.325 121.543 120.300 -0.136 0.000 2.145 364 Y HA -0.156 4.395 4.550 0.001 0.000 0.286 364 Y C 2.187 178.047 175.900 -0.067 0.000 1.145 364 Y CA 1.220 59.129 58.100 -0.319 0.000 1.148 364 Y CB -0.515 37.575 38.460 -0.617 0.000 0.981 364 Y HN -0.092 nan 8.280 nan 0.000 0.507 365 I N 0.373 120.928 120.570 -0.025 0.000 2.163 365 I HA -0.318 3.853 4.170 0.001 0.000 0.243 365 I C 2.323 178.496 176.117 0.094 0.000 1.085 365 I CA 1.946 63.311 61.300 0.110 0.000 1.347 365 I CB -0.462 37.703 38.000 0.275 0.000 1.044 365 I HN 0.297 nan 8.210 nan 0.000 0.408 366 E N 0.260 120.494 120.200 0.057 0.000 2.110 366 E HA -0.269 4.082 4.350 0.001 0.000 0.193 366 E C 2.242 178.826 176.600 -0.027 0.000 0.988 366 E CA 0.974 57.401 56.400 0.044 0.000 0.804 366 E CB -0.123 29.594 29.700 0.029 0.000 0.745 366 E HN 0.335 nan 8.360 nan 0.000 0.458 367 R N 0.753 121.196 120.500 -0.094 0.000 2.075 367 R HA -0.118 4.223 4.340 0.001 0.000 0.232 367 R C 2.171 178.312 176.300 -0.265 0.000 1.126 367 R CA 0.982 57.001 56.100 -0.134 0.000 0.963 367 R CB -0.185 30.066 30.300 -0.082 0.000 0.858 367 R HN -0.020 nan 8.270 nan 0.000 0.435 368 V N 0.052 119.666 119.914 -0.502 0.000 2.343 368 V HA -0.238 3.883 4.120 0.001 0.000 0.247 368 V C 1.802 177.531 176.094 -0.610 0.000 1.051 368 V CA 1.736 63.564 62.300 -0.788 0.000 1.036 368 V CB -0.622 30.258 31.823 -1.573 0.000 0.654 368 V HN 0.341 nan 8.190 nan 0.000 0.451 369 Y N 1.254 121.337 120.300 -0.362 0.000 2.242 369 Y HA -0.063 4.488 4.550 0.001 0.000 0.291 369 Y C 2.515 178.303 175.900 -0.187 0.000 1.137 369 Y CA 1.469 59.444 58.100 -0.209 0.000 1.181 369 Y CB -0.956 37.443 38.460 -0.103 0.000 0.989 369 Y HN 0.271 nan 8.280 nan 0.000 0.527 370 G N -1.251 107.513 108.800 -0.060 0.000 2.408 370 G HA2 -0.213 3.748 3.960 0.001 0.000 0.217 370 G HA3 -0.213 3.748 3.960 0.001 0.000 0.217 370 G C 1.737 176.560 174.900 -0.129 0.000 1.150 370 G CA 1.522 46.550 45.100 -0.119 0.000 0.776 370 G HN 0.310 nan 8.290 nan 0.000 0.542 371 T N 1.706 116.182 114.554 -0.130 0.000 2.708 371 T HA 0.021 4.372 4.350 0.001 0.000 0.266 371 T C 2.842 177.506 174.700 -0.061 0.000 1.037 371 T CA 1.503 63.550 62.100 -0.088 0.000 1.146 371 T CB -0.402 68.412 68.868 -0.089 0.000 0.865 371 T HN 0.358 nan 8.240 nan 0.000 0.435 372 A N 1.816 124.573 122.820 -0.106 0.000 1.883 372 A HA -0.163 4.158 4.320 0.001 0.000 0.217 372 A C 2.284 179.865 177.584 -0.006 0.000 1.186 372 A CA 2.052 54.057 52.037 -0.053 0.000 0.624 372 A CB -0.667 18.257 19.000 -0.126 0.000 0.822 372 A HN 0.459 nan 8.150 nan 0.000 0.444 373 R N -0.075 120.403 120.500 -0.036 0.000 2.080 373 R HA -0.198 4.143 4.340 0.001 0.000 0.236 373 R C 2.027 178.276 176.300 -0.084 0.000 1.137 373 R CA 2.010 58.060 56.100 -0.082 0.000 0.943 373 R CB -0.379 29.665 30.300 -0.426 0.000 0.846 373 R HN 0.672 nan 8.270 nan 0.000 0.431 374 E N -0.132 120.001 120.200 -0.110 0.000 2.153 374 E HA -0.197 4.154 4.350 0.001 0.000 0.194 374 E C 1.913 178.500 176.600 -0.021 0.000 0.988 374 E CA 1.548 57.907 56.400 -0.069 0.000 0.811 374 E CB -0.039 29.620 29.700 -0.069 0.000 0.746 374 E HN 0.466 nan 8.360 nan 0.000 0.466 375 M N -0.805 118.784 119.600 -0.019 0.000 2.595 375 M HA 0.092 4.573 4.480 0.001 0.000 0.248 375 M C 1.045 177.302 176.300 -0.071 0.000 1.119 375 M CA 0.577 55.856 55.300 -0.035 0.000 1.079 375 M CB 0.588 33.172 32.600 -0.026 0.000 1.472 375 M HN 0.202 nan 8.290 nan 0.000 0.501 376 G N 1.566 110.356 108.800 -0.016 0.000 2.246 376 G HA2 -0.178 3.783 3.960 0.001 0.000 0.273 376 G HA3 -0.178 3.783 3.960 0.001 0.000 0.273 376 G C -0.049 174.721 174.900 -0.217 0.000 1.055 376 G CA 0.179 45.224 45.100 -0.092 0.000 0.851 376 G HN 0.676 nan 8.290 nan 0.000 0.500 377 A N -0.461 122.324 122.820 -0.058 0.000 2.312 377 A HA 0.916 5.236 4.320 0.001 0.000 0.328 377 A C 0.978 178.546 177.584 -0.026 0.000 1.158 377 A CA 0.427 52.424 52.037 -0.067 0.000 0.821 377 A CB 1.122 20.116 19.000 -0.010 0.000 1.170 377 A HN 1.704 nan 8.150 nan 0.000 0.490 378 G N -0.494 108.250 108.800 -0.094 0.000 2.572 378 G HA2 0.508 4.469 3.960 0.001 0.000 0.261 378 G HA3 0.508 4.469 3.960 0.001 0.000 0.261 378 G C -0.716 174.159 174.900 -0.043 0.000 1.197 378 G CA -0.187 44.828 45.100 -0.141 0.000 0.870 378 G HN 1.008 nan 8.290 nan 0.000 0.548 379 V N 0.357 120.286 119.914 0.026 0.000 2.623 379 V HA 0.533 4.654 4.120 0.001 0.000 0.304 379 V C -0.279 175.995 176.094 0.300 0.000 1.054 379 V CA -0.863 61.511 62.300 0.123 0.000 0.882 379 V CB 1.949 33.804 31.823 0.053 0.000 1.002 379 V HN 1.025 nan 8.190 nan 0.000 0.424 380 S N 3.753 119.650 115.700 0.327 0.000 2.669 380 S HA 0.585 5.056 4.470 0.001 0.000 0.315 380 S C -0.958 173.764 174.600 0.203 0.000 1.106 380 S CA -0.603 57.776 58.200 0.298 0.000 1.107 380 S CB 0.744 64.131 63.200 0.312 0.000 0.990 380 S HN 0.686 nan 8.310 nan 0.000 0.471 381 Y N 4.011 124.296 120.300 -0.026 0.000 2.511 381 Y HA 0.235 4.786 4.550 0.001 0.000 0.332 381 Y C 0.006 175.985 175.900 0.132 0.000 1.177 381 Y CA -0.287 57.764 58.100 -0.083 0.000 1.422 381 Y CB 0.503 38.795 38.460 -0.281 0.000 1.271 381 Y HN 0.846 nan 8.280 nan 0.000 0.550 382 W N 8.812 129.823 121.300 -0.483 0.000 2.357 382 W HA 0.442 5.103 4.660 0.001 0.000 0.317 382 W C -1.140 175.404 176.519 0.043 0.000 1.101 382 W CA -0.090 57.192 57.345 -0.105 0.000 1.380 382 W CB 0.669 30.140 29.460 0.019 0.000 1.266 382 W HN 0.784 nan 8.180 nan 0.000 0.419 383 S N 1.672 117.366 115.700 -0.009 0.000 2.752 383 S HA 0.286 4.757 4.470 0.001 0.000 0.284 383 S C 0.592 175.218 174.600 0.043 0.000 1.189 383 S CA -0.050 58.003 58.200 -0.246 0.000 0.835 383 S CB 1.260 63.699 63.200 -1.269 0.000 1.192 383 S HN 0.362 nan 8.310 nan 0.000 0.506 384 S N -0.616 114.999 115.700 -0.142 0.000 2.561 384 S HA 0.126 4.597 4.470 0.001 0.000 0.225 384 S C -0.081 174.425 174.600 -0.156 0.000 0.977 384 S CA 0.257 58.280 58.200 -0.295 0.000 0.926 384 S CB -1.055 61.946 63.200 -0.332 0.000 0.769 384 S HN 0.702 nan 8.310 nan 0.000 0.533 385 D N 4.297 124.584 120.400 -0.188 0.000 2.449 385 D HA 0.220 4.860 4.640 0.001 0.000 0.236 385 D C -2.310 173.971 176.300 -0.032 0.000 1.149 385 D CA -0.714 53.211 54.000 -0.124 0.000 0.878 385 D CB 0.294 40.969 40.800 -0.209 0.000 1.198 385 D HN 0.243 nan 8.370 nan 0.000 0.446 386 P HA 0.247 nan 4.420 nan 0.000 0.268 386 P C 0.123 177.448 177.300 0.040 0.000 1.205 386 P CA -0.108 63.019 63.100 0.044 0.000 0.771 386 P CB 0.926 32.647 31.700 0.034 0.000 0.858 387 G N 3.272 112.119 108.800 0.077 0.000 2.359 387 G HA2 0.050 4.011 3.960 0.001 0.000 0.314 387 G HA3 0.050 4.011 3.960 0.001 0.000 0.314 387 G C -2.717 172.278 174.900 0.159 0.000 1.364 387 G CA -0.651 44.511 45.100 0.103 0.000 0.978 387 G HN 0.233 nan 8.290 nan 0.000 0.615 388 P HA 0.003 nan 4.420 nan 0.000 0.230 388 P C 1.017 178.492 177.300 0.291 0.000 1.158 388 P CA 0.997 64.222 63.100 0.209 0.000 0.769 388 P CB 0.127 31.948 31.700 0.202 0.000 0.807 389 W N 1.227 122.591 121.300 0.106 0.000 2.476 389 W HA 0.177 4.838 4.660 0.001 0.000 0.281 389 W C 1.796 178.442 176.519 0.211 0.000 1.230 389 W CA 1.282 58.735 57.345 0.180 0.000 1.287 389 W CB -0.964 28.610 29.460 0.190 0.000 1.108 389 W HN -0.109 nan 8.180 nan 0.000 0.567 390 G N -0.024 108.967 108.800 0.319 0.000 2.537 390 G HA2 0.237 4.198 3.960 0.001 0.000 0.297 390 G HA3 0.237 4.198 3.960 0.001 0.000 0.297 390 G C -1.711 173.162 174.900 -0.044 0.000 1.310 390 G CA -0.741 44.452 45.100 0.154 0.000 1.027 390 G HN -0.193 nan 8.290 nan 0.000 0.505 391 P HA 0.035 nan 4.420 nan 0.000 0.225 391 P C -0.704 176.129 177.300 -0.778 0.000 1.156 391 P CA 0.969 63.748 63.100 -0.534 0.000 0.787 391 P CB 0.167 31.411 31.700 -0.759 0.000 0.802 392 Y N -1.133 119.138 120.300 -0.047 0.000 2.477 392 Y HA 0.390 4.941 4.550 0.001 0.000 0.347 392 Y C 0.866 176.764 175.900 -0.003 0.000 0.981 392 Y CA -1.295 56.791 58.100 -0.025 0.000 1.033 392 Y CB 1.168 39.604 38.460 -0.041 0.000 1.245 392 Y HN -0.318 nan 8.280 nan 0.000 0.455 393 L N 3.788 125.101 121.223 0.149 0.000 2.466 393 L HA 0.224 4.565 4.340 0.001 0.000 0.257 393 L C -1.412 175.511 176.870 0.089 0.000 1.189 393 L CA -1.642 53.258 54.840 0.101 0.000 0.813 393 L CB 0.528 42.634 42.059 0.077 0.000 1.118 393 L HN 0.445 nan 8.230 nan 0.000 0.471 394 P HA -0.193 nan 4.420 nan 0.000 0.217 394 P C 0.566 177.875 177.300 0.016 0.000 1.148 394 P CA 1.237 64.355 63.100 0.031 0.000 0.828 394 P CB -0.035 31.677 31.700 0.021 0.000 0.783 395 D N -1.901 118.512 120.400 0.022 0.000 2.336 395 D HA 0.069 4.709 4.640 0.001 0.000 0.229 395 D C 1.362 177.663 176.300 0.001 0.000 1.061 395 D CA 0.583 54.587 54.000 0.007 0.000 0.875 395 D CB -0.984 39.823 40.800 0.011 0.000 0.904 395 D HN 0.247 nan 8.370 nan 0.000 0.525 396 G N -0.623 108.186 108.800 0.015 0.000 2.175 396 G HA2 -0.259 3.701 3.960 0.001 0.000 0.244 396 G HA3 -0.259 3.701 3.960 0.001 0.000 0.244 396 G C 0.392 175.350 174.900 0.096 0.000 0.982 396 G CA 0.262 45.357 45.100 -0.008 0.000 0.641 396 G HN 0.460 nan 8.290 nan 0.000 0.527 397 T N 1.892 116.512 114.554 0.110 0.000 2.901 397 T HA 0.418 4.769 4.350 0.001 0.000 0.301 397 T C 0.625 175.431 174.700 0.177 0.000 1.012 397 T CA 0.119 62.291 62.100 0.119 0.000 1.135 397 T CB 1.069 69.979 68.868 0.071 0.000 0.936 397 T HN 0.429 nan 8.240 nan 0.000 0.539 398 Q N 2.021 121.918 119.800 0.161 0.000 2.337 398 Q HA 0.261 4.601 4.340 0.001 0.000 0.270 398 Q C 1.040 177.033 176.000 -0.011 0.000 1.002 398 Q CA -0.293 55.543 55.803 0.055 0.000 0.888 398 Q CB 0.597 29.358 28.738 0.040 0.000 1.222 398 Q HN 0.805 nan 8.270 nan 0.000 0.400 399 T N -1.117 113.383 114.554 -0.089 0.000 2.852 399 T HA 0.140 4.491 4.350 0.001 0.000 0.281 399 T C 0.943 175.605 174.700 -0.064 0.000 0.993 399 T CA -0.814 61.253 62.100 -0.054 0.000 0.933 399 T CB 0.447 69.284 68.868 -0.052 0.000 1.187 399 T HN 0.508 nan 8.240 nan 0.000 0.559 400 L N 0.094 121.295 121.223 -0.037 0.000 2.261 400 L HA 0.048 4.389 4.340 0.001 0.000 0.216 400 L C 2.114 178.947 176.870 -0.061 0.000 1.114 400 L CA 1.362 56.183 54.840 -0.031 0.000 0.777 400 L CB -1.407 40.648 42.059 -0.008 0.000 0.910 400 L HN 0.711 nan 8.230 nan 0.000 0.440 401 L N -1.468 119.693 121.223 -0.103 0.000 2.046 401 L HA -0.170 4.170 4.340 0.001 0.000 0.208 401 L C 2.441 179.234 176.870 -0.128 0.000 1.077 401 L CA 1.624 56.374 54.840 -0.150 0.000 0.747 401 L CB -0.676 41.246 42.059 -0.229 0.000 0.896 401 L HN 0.129 nan 8.230 nan 0.000 0.432 402 V N -0.446 119.386 119.914 -0.137 0.000 2.233 402 V HA -0.311 3.810 4.120 0.001 0.000 0.247 402 V C 2.204 178.276 176.094 -0.037 0.000 1.050 402 V CA 2.072 64.314 62.300 -0.097 0.000 1.010 402 V CB -0.702 31.051 31.823 -0.117 0.000 0.637 402 V HN 0.398 nan 8.190 nan 0.000 0.444 403 D N -0.322 120.062 120.400 -0.026 0.000 2.219 403 D HA -0.105 4.535 4.640 0.001 0.000 0.205 403 D C 2.274 178.566 176.300 -0.013 0.000 0.970 403 D CA 1.571 55.571 54.000 -0.000 0.000 0.851 403 D CB -0.291 40.513 40.800 0.007 0.000 0.943 403 D HN 0.436 nan 8.370 nan 0.000 0.488 404 T N 0.633 115.162 114.554 -0.041 0.000 2.777 404 T HA -0.013 4.338 4.350 0.001 0.000 0.266 404 T C 2.099 176.724 174.700 -0.125 0.000 1.040 404 T CA 0.533 62.596 62.100 -0.062 0.000 1.141 404 T CB -0.065 68.769 68.868 -0.056 0.000 0.868 404 T HN 0.146 nan 8.240 nan 0.000 0.444 405 L N 0.836 121.963 121.223 -0.159 0.000 2.270 405 L HA 0.138 4.478 4.340 0.001 0.000 0.210 405 L C 1.268 178.074 176.870 -0.108 0.000 1.104 405 L CA 0.361 55.052 54.840 -0.249 0.000 0.804 405 L CB -0.482 41.431 42.059 -0.243 0.000 0.937 405 L HN 0.169 nan 8.230 nan 0.000 0.450 406 N N 1.767 120.466 118.700 -0.001 0.000 2.971 406 N HA 0.023 4.764 4.740 0.001 0.000 0.294 406 N C -0.642 174.982 175.510 0.190 0.000 1.210 406 N CA 0.396 53.521 53.050 0.124 0.000 1.157 406 N CB 0.061 38.625 38.487 0.129 0.000 1.450 406 N HN -0.003 nan 8.380 nan 0.000 0.527 407 K N 1.418 121.953 120.400 0.225 0.000 2.328 407 K HA 0.543 4.864 4.320 0.001 0.000 0.246 407 K C -2.657 174.176 176.600 0.388 0.000 0.955 407 K CA -2.198 54.235 56.287 0.243 0.000 0.817 407 K CB 1.157 33.754 32.500 0.162 0.000 1.208 407 K HN 0.134 nan 8.250 nan 0.000 0.432 408 P HA 0.078 nan 4.420 nan 0.000 0.268 408 P C -1.056 176.450 177.300 0.344 0.000 1.205 408 P CA 0.209 63.418 63.100 0.182 0.000 0.771 408 P CB 0.054 31.768 31.700 0.023 0.000 0.858 409 Y N 0.472 120.779 120.300 0.012 0.000 2.609 409 Y HA 0.708 5.258 4.550 0.001 0.000 0.336 409 Y C -3.249 172.424 175.900 -0.380 0.000 1.129 409 Y CA -3.699 54.227 58.100 -0.290 0.000 1.040 409 Y CB 0.195 38.550 38.460 -0.175 0.000 1.310 409 Y HN 0.146 nan 8.280 nan 0.000 0.460 410 P HA 0.426 nan 4.420 nan 0.000 0.282 410 P C -0.298 176.722 177.300 -0.466 0.000 1.262 410 P CA -0.245 62.506 63.100 -0.583 0.000 0.773 410 P CB 1.531 32.860 31.700 -0.619 0.000 0.879 411 R N 2.660 122.895 120.500 -0.443 0.000 2.075 411 R HA 0.357 4.698 4.340 0.001 0.000 0.220 411 R C 0.367 176.585 176.300 -0.138 0.000 1.118 411 R CA 0.772 56.719 56.100 -0.255 0.000 0.986 411 R CB 0.162 30.306 30.300 -0.260 0.000 0.884 411 R HN 0.486 nan 8.270 nan 0.000 0.439 412 A N 0.818 123.540 122.820 -0.163 0.000 2.414 412 A HA 0.510 4.830 4.320 0.001 0.000 0.286 412 A C -1.073 176.420 177.584 -0.151 0.000 1.073 412 A CA -0.593 51.367 52.037 -0.128 0.000 0.727 412 A CB 1.566 20.518 19.000 -0.080 0.000 1.215 412 A HN -0.032 nan 8.150 nan 0.000 0.430 413 V N 1.754 121.564 119.914 -0.174 0.000 2.483 413 V HA 0.614 4.735 4.120 0.001 0.000 0.295 413 V C 0.888 176.901 176.094 -0.135 0.000 1.035 413 V CA -0.142 62.051 62.300 -0.178 0.000 0.896 413 V CB 1.723 33.405 31.823 -0.235 0.000 0.986 413 V HN 1.217 nan 8.190 nan 0.000 0.447 414 A N 3.957 126.714 122.820 -0.105 0.000 3.037 414 A HA 0.693 5.014 4.320 0.001 0.000 0.272 414 A C 0.850 178.391 177.584 -0.072 0.000 1.723 414 A CA 0.650 52.643 52.037 -0.074 0.000 1.413 414 A CB -1.050 17.915 19.000 -0.059 0.000 1.112 414 A HN 1.803 nan 8.150 nan 0.000 0.606 415 G N -0.250 108.501 108.800 -0.081 0.000 2.354 415 G HA2 0.195 4.156 3.960 0.001 0.000 0.582 415 G HA3 0.195 4.156 3.960 0.001 0.000 0.582 415 G C -0.490 174.337 174.900 -0.122 0.000 1.316 415 G CA -0.501 44.554 45.100 -0.074 0.000 0.995 415 G HN 0.580 nan 8.290 nan 0.000 0.573 416 T N 3.476 117.973 114.554 -0.094 0.000 2.749 416 T HA 0.560 4.910 4.350 0.001 0.000 0.295 416 T C -2.265 172.361 174.700 -0.123 0.000 0.936 416 T CA -0.540 61.481 62.100 -0.133 0.000 1.060 416 T CB 1.506 70.368 68.868 -0.009 0.000 0.904 416 T HN 0.481 nan 8.240 nan 0.000 0.500 417 P HA 0.147 nan 4.420 nan 0.000 0.275 417 P C 1.003 178.356 177.300 0.089 0.000 1.276 417 P CA -0.262 62.799 63.100 -0.064 0.000 0.782 417 P CB 0.602 32.238 31.700 -0.106 0.000 0.851 418 T N 0.420 115.032 114.554 0.097 0.000 2.978 418 T HA 0.014 4.365 4.350 0.001 0.000 0.262 418 T C 0.414 175.192 174.700 0.129 0.000 1.063 418 T CA 0.407 62.573 62.100 0.110 0.000 1.140 418 T CB -0.156 68.754 68.868 0.069 0.000 0.886 418 T HN 0.569 nan 8.240 nan 0.000 0.470 419 E N -0.236 120.059 120.200 0.160 0.000 2.378 419 E HA 0.474 4.824 4.350 0.001 0.000 0.283 419 E C -1.590 175.169 176.600 0.265 0.000 0.979 419 E CA -1.388 55.096 56.400 0.140 0.000 0.795 419 E CB 1.121 30.862 29.700 0.069 0.000 1.221 419 E HN 0.508 nan 8.360 nan 0.000 0.428 420 W N 1.269 122.590 121.300 0.035 0.000 3.025 420 W HA 0.751 5.412 4.660 0.001 0.000 0.343 420 W C -1.731 174.812 176.519 0.040 0.000 1.246 420 W CA -0.582 56.782 57.345 0.032 0.000 1.178 420 W CB 0.927 30.407 29.460 0.033 0.000 1.463 420 W HN 1.022 nan 8.180 nan 0.000 0.578 421 S N 0.801 116.671 115.700 0.282 0.000 2.565 421 S HA 0.766 5.237 4.470 0.001 0.000 0.269 421 S C -1.016 173.757 174.600 0.288 0.000 1.153 421 S CA -0.312 57.945 58.200 0.095 0.000 0.835 421 S CB 1.578 64.794 63.200 0.027 0.000 1.122 421 S HN 1.402 nan 8.310 nan 0.000 0.462 422 S N 0.246 116.075 115.700 0.215 0.000 2.537 422 S HA 0.874 5.345 4.470 0.001 0.000 0.270 422 S C -0.465 174.226 174.600 0.152 0.000 1.142 422 S CA -0.110 58.235 58.200 0.242 0.000 0.870 422 S CB 1.306 64.731 63.200 0.376 0.000 1.112 422 S HN 1.831 nan 8.310 nan 0.000 0.466 423 T N -0.745 113.893 114.554 0.139 0.000 2.773 423 T HA 0.593 4.944 4.350 0.001 0.000 0.278 423 T C 1.085 175.855 174.700 0.117 0.000 1.011 423 T CA -0.192 61.966 62.100 0.097 0.000 1.014 423 T CB 0.800 69.703 68.868 0.058 0.000 1.293 423 T HN 0.550 nan 8.240 nan 0.000 0.554 424 S N 1.162 116.907 115.700 0.074 0.000 2.402 424 S HA -0.079 4.392 4.470 0.001 0.000 0.233 424 S C 0.914 175.538 174.600 0.040 0.000 1.030 424 S CA 1.728 59.969 58.200 0.069 0.000 1.003 424 S CB -0.545 62.669 63.200 0.023 0.000 0.813 424 S HN 0.953 nan 8.310 nan 0.000 0.477 425 D N -0.611 119.759 120.400 -0.050 0.000 2.673 425 D HA 0.264 4.905 4.640 0.001 0.000 0.278 425 D C 0.076 176.285 176.300 -0.152 0.000 1.393 425 D CA -0.377 53.416 54.000 -0.345 0.000 0.805 425 D CB -0.034 40.535 40.800 -0.385 0.000 1.110 425 D HN 0.137 nan 8.370 nan 0.000 0.476 426 R N -0.072 120.524 120.500 0.159 0.000 2.561 426 R HA 0.595 4.936 4.340 0.001 0.000 0.266 426 R C -2.287 174.153 176.300 0.232 0.000 1.091 426 R CA -0.835 55.392 56.100 0.211 0.000 0.927 426 R CB 1.556 31.911 30.300 0.092 0.000 1.240 426 R HN 0.151 nan 8.270 nan 0.000 0.449 427 L N 2.636 123.973 121.223 0.190 0.000 2.408 427 L HA 0.549 4.890 4.340 0.001 0.000 0.268 427 L C -1.498 175.433 176.870 0.102 0.000 0.986 427 L CA -0.299 54.624 54.840 0.138 0.000 0.820 427 L CB 2.131 44.214 42.059 0.040 0.000 1.303 427 L HN 0.753 nan 8.230 nan 0.000 0.411 428 Q N 3.770 123.655 119.800 0.142 0.000 2.347 428 Q HA 0.662 5.002 4.340 0.001 0.000 0.271 428 Q C -2.042 174.056 176.000 0.163 0.000 1.064 428 Q CA -0.796 55.073 55.803 0.111 0.000 0.800 428 Q CB 2.466 31.261 28.738 0.095 0.000 1.304 428 Q HN 0.665 nan 8.270 nan 0.000 0.438 429 L N 2.033 123.316 121.223 0.101 0.000 2.464 429 L HA 0.605 4.946 4.340 0.001 0.000 0.266 429 L C -1.560 175.347 176.870 0.062 0.000 0.965 429 L CA 0.129 55.036 54.840 0.112 0.000 0.833 429 L CB 2.605 44.664 42.059 -0.001 0.000 1.296 429 L HN 0.573 nan 8.230 nan 0.000 0.405 430 T N 6.209 120.814 114.554 0.085 0.000 2.794 430 T HA 0.687 5.037 4.350 0.001 0.000 0.280 430 T C -0.288 174.430 174.700 0.029 0.000 0.987 430 T CA -0.095 62.033 62.100 0.047 0.000 0.993 430 T CB 0.822 69.721 68.868 0.052 0.000 0.939 430 T HN 0.467 nan 8.240 nan 0.000 0.449 431 I N 2.287 122.857 120.570 0.000 0.000 2.465 431 I HA 0.343 4.514 4.170 0.001 0.000 0.291 431 I C 0.310 176.419 176.117 -0.013 0.000 1.014 431 I CA -0.831 60.456 61.300 -0.022 0.000 1.093 431 I CB 2.098 40.071 38.000 -0.045 0.000 1.267 431 I HN 0.562 nan 8.210 nan 0.000 0.431 432 E N 8.534 128.727 120.200 -0.012 0.000 2.105 432 E HA 0.282 4.633 4.350 0.001 0.000 0.285 432 E C -2.281 174.310 176.600 -0.015 0.000 1.055 432 E CA -1.814 54.583 56.400 -0.005 0.000 0.843 432 E CB 0.936 30.640 29.700 0.008 0.000 1.067 432 E HN 0.252 nan 8.360 nan 0.000 0.398 433 P HA 0.103 nan 4.420 nan 0.000 0.272 433 P C -0.852 176.441 177.300 -0.012 0.000 1.230 433 P CA -0.090 63.000 63.100 -0.017 0.000 0.788 433 P CB 0.822 32.514 31.700 -0.013 0.000 0.949 434 D N 0.326 120.718 120.400 -0.015 0.000 2.479 434 D HA 0.350 4.991 4.640 0.001 0.000 0.246 434 D C 0.778 177.073 176.300 -0.008 0.000 1.336 434 D CA -0.719 53.276 54.000 -0.008 0.000 0.967 434 D CB 1.275 42.070 40.800 -0.008 0.000 1.275 434 D HN 0.227 nan 8.370 nan 0.000 0.577 435 A N 3.069 125.886 122.820 -0.005 0.000 2.070 435 A HA 0.072 4.393 4.320 0.001 0.000 0.220 435 A C 1.976 179.558 177.584 -0.003 0.000 1.159 435 A CA 1.677 53.712 52.037 -0.005 0.000 0.656 435 A CB -0.216 18.782 19.000 -0.003 0.000 0.800 435 A HN 0.590 nan 8.150 nan 0.000 0.453 436 A N -0.424 122.395 122.820 -0.000 0.000 2.066 436 A HA 0.206 4.527 4.320 0.001 0.000 0.218 436 A C 0.969 178.553 177.584 0.001 0.000 1.157 436 A CA 0.301 52.339 52.037 0.002 0.000 0.670 436 A CB -0.377 18.627 19.000 0.006 0.000 0.804 436 A HN 0.466 nan 8.150 nan 0.000 0.453 437 I N 1.153 121.721 120.570 -0.003 0.000 2.396 437 I HA 0.073 4.244 4.170 0.001 0.000 0.289 437 I C 1.548 177.660 176.117 -0.009 0.000 1.056 437 I CA 0.257 61.553 61.300 -0.006 0.000 1.365 437 I CB 1.475 39.466 38.000 -0.014 0.000 1.407 437 I HN 0.325 nan 8.210 nan 0.000 0.509 438 T N 1.735 116.286 114.554 -0.006 0.000 3.015 438 T HA 0.278 4.629 4.350 0.001 0.000 0.250 438 T C 0.823 175.517 174.700 -0.010 0.000 1.057 438 T CA -0.131 61.965 62.100 -0.007 0.000 1.066 438 T CB 0.281 69.147 68.868 -0.002 0.000 0.959 438 T HN 0.554 nan 8.240 nan 0.000 0.488 439 A N 3.723 126.537 122.820 -0.010 0.000 2.407 439 A HA 0.604 4.925 4.320 0.001 0.000 0.248 439 A C -2.086 175.484 177.584 -0.024 0.000 1.082 439 A CA -1.430 50.599 52.037 -0.013 0.000 0.785 439 A CB -0.033 18.961 19.000 -0.010 0.000 1.020 439 A HN 0.357 nan 8.150 nan 0.000 0.489 440 P HA 0.211 nan 4.420 nan 0.000 0.276 440 P C -0.272 176.996 177.300 -0.054 0.000 1.252 440 P CA -0.195 62.883 63.100 -0.037 0.000 0.802 440 P CB 0.351 32.034 31.700 -0.030 0.000 1.035 441 T N 1.263 115.775 114.554 -0.071 0.000 2.888 441 T HA 0.098 4.449 4.350 0.001 0.000 0.301 441 T C 0.178 174.816 174.700 -0.104 0.000 1.001 441 T CA 0.273 62.313 62.100 -0.099 0.000 1.147 441 T CB -0.019 68.779 68.868 -0.116 0.000 0.931 441 T HN 0.400 nan 8.240 nan 0.000 0.541 442 E N 3.312 123.440 120.200 -0.121 0.000 2.158 442 E HA 0.531 4.882 4.350 0.001 0.000 0.271 442 E C -1.083 175.405 176.600 -0.187 0.000 0.911 442 E CA -0.580 55.751 56.400 -0.115 0.000 0.767 442 E CB 0.812 30.462 29.700 -0.082 0.000 1.120 442 E HN 0.532 nan 8.360 nan 0.000 0.405 443 I N 3.928 124.386 120.570 -0.188 0.000 2.582 443 I HA 0.218 4.389 4.170 0.001 0.000 0.292 443 I C -1.160 174.825 176.117 -0.220 0.000 1.066 443 I CA -1.123 60.008 61.300 -0.282 0.000 1.053 443 I CB 1.689 39.510 38.000 -0.298 0.000 1.241 443 I HN 0.554 nan 8.210 nan 0.000 0.421 444 Y N 6.934 126.957 120.300 -0.462 0.000 2.327 444 Y HA 0.649 5.199 4.550 0.001 0.000 0.336 444 Y C -1.315 174.440 175.900 -0.242 0.000 1.035 444 Y CA -0.569 57.343 58.100 -0.313 0.000 1.165 444 Y CB 0.772 38.980 38.460 -0.421 0.000 1.181 444 Y HN 0.348 nan 8.280 nan 0.000 0.494 445 L N 9.625 130.304 121.223 -0.906 0.000 2.372 445 L HA 0.456 4.797 4.340 0.001 0.000 0.274 445 L C -2.451 173.923 176.870 -0.827 0.000 0.988 445 L CA -2.280 51.997 54.840 -0.938 0.000 0.833 445 L CB 1.953 43.378 42.059 -1.057 0.000 1.236 445 L HN 0.550 nan 8.230 nan 0.000 0.410 446 P HA 0.042 nan 4.420 nan 0.000 0.271 446 P C 0.289 177.660 177.300 0.118 0.000 1.218 446 P CA -0.153 62.845 63.100 -0.170 0.000 0.780 446 P CB 1.159 32.896 31.700 0.061 0.000 0.901 447 E N 2.378 122.660 120.200 0.137 0.000 2.150 447 E HA -0.174 4.176 4.350 0.001 0.000 0.193 447 E C 1.889 178.574 176.600 0.142 0.000 0.985 447 E CA 1.159 57.660 56.400 0.168 0.000 0.814 447 E CB -0.365 29.407 29.700 0.120 0.000 0.752 447 E HN 0.487 nan 8.360 nan 0.000 0.466 448 A N 0.589 123.477 122.820 0.113 0.000 1.892 448 A HA -0.177 4.143 4.320 0.001 0.000 0.218 448 A C 2.371 179.976 177.584 0.035 0.000 1.188 448 A CA 2.010 54.090 52.037 0.071 0.000 0.631 448 A CB -1.196 17.844 19.000 0.066 0.000 0.822 448 A HN 0.446 nan 8.150 nan 0.000 0.447 449 G N -2.614 106.213 108.800 0.044 0.000 2.539 449 G HA2 0.258 4.219 3.960 0.001 0.000 0.215 449 G HA3 0.258 4.219 3.960 0.001 0.000 0.215 449 G C 0.254 174.925 174.900 -0.381 0.000 1.141 449 G CA 0.229 45.237 45.100 -0.153 0.000 0.806 449 G HN 0.356 nan 8.290 nan 0.000 0.533 450 F N 1.170 121.128 119.950 0.013 0.000 2.531 450 F HA 0.334 4.862 4.527 0.001 0.000 0.333 450 F C -1.509 174.364 175.800 0.122 0.000 1.292 450 F CA -2.309 55.717 58.000 0.042 0.000 1.184 450 F CB 2.112 41.111 39.000 -0.002 0.000 1.426 450 F HN -0.052 nan 8.300 nan 0.000 0.559 451 P HA 0.076 nan 4.420 nan 0.000 0.229 451 P C 0.902 178.303 177.300 0.169 0.000 1.160 451 P CA 0.844 64.031 63.100 0.145 0.000 0.777 451 P CB 0.891 32.634 31.700 0.071 0.000 0.814 452 G N -0.752 108.178 108.800 0.216 0.000 3.244 452 G HA2 0.193 4.154 3.960 0.001 0.000 0.197 452 G HA3 0.193 4.154 3.960 0.001 0.000 0.197 452 G C -0.881 174.259 174.900 0.400 0.000 1.531 452 G CA 0.059 45.295 45.100 0.227 0.000 0.747 452 G HN 0.028 nan 8.290 nan 0.000 0.763 453 D N -0.485 120.098 120.400 0.306 0.000 2.432 453 D HA 0.484 5.125 4.640 0.001 0.000 0.258 453 D C 0.349 176.728 176.300 0.130 0.000 1.146 453 D CA -0.156 54.039 54.000 0.325 0.000 1.015 453 D CB 1.706 42.633 40.800 0.212 0.000 1.107 453 D HN 0.399 nan 8.370 nan 0.000 0.529 454 V N -0.760 119.107 119.914 -0.078 0.000 2.732 454 V HA 0.478 4.599 4.120 0.001 0.000 0.310 454 V C -0.442 175.648 176.094 -0.007 0.000 1.053 454 V CA -0.653 61.551 62.300 -0.159 0.000 0.957 454 V CB 1.702 33.193 31.823 -0.553 0.000 1.018 454 V HN 0.607 nan 8.190 nan 0.000 0.452 455 H N 2.401 121.439 119.070 -0.054 0.000 2.511 455 H HA 0.720 5.277 4.556 0.001 0.000 0.328 455 H C -1.801 173.496 175.328 -0.052 0.000 1.044 455 H CA -0.437 55.587 56.048 -0.040 0.000 1.212 455 H CB 2.006 31.758 29.762 -0.017 0.000 1.428 455 H HN 0.654 nan 8.280 nan 0.000 0.483 456 V N 6.057 125.665 119.914 -0.511 0.000 2.483 456 V HA 0.210 4.331 4.120 0.001 0.000 0.297 456 V C -0.307 175.550 176.094 -0.396 0.000 1.027 456 V CA -0.762 61.325 62.300 -0.355 0.000 0.855 456 V CB 1.800 33.482 31.823 -0.235 0.000 0.995 456 V HN 0.778 nan 8.190 nan 0.000 0.424 457 E N 2.655 122.700 120.200 -0.257 0.000 2.179 457 E HA 0.606 4.957 4.350 0.001 0.000 0.275 457 E C 0.883 177.427 176.600 -0.093 0.000 0.945 457 E CA 0.120 56.427 56.400 -0.154 0.000 0.792 457 E CB 1.812 31.473 29.700 -0.066 0.000 1.125 457 E HN 1.005 nan 8.360 nan 0.000 0.397 458 G N 1.675 110.431 108.800 -0.073 0.000 2.175 458 G HA2 -0.174 3.787 3.960 0.001 0.000 0.244 458 G HA3 -0.174 3.787 3.960 0.001 0.000 0.244 458 G C 0.028 174.893 174.900 -0.058 0.000 0.982 458 G CA -0.016 45.053 45.100 -0.052 0.000 0.641 458 G HN 0.818 nan 8.290 nan 0.000 0.527 459 A N -0.664 122.110 122.820 -0.076 0.000 2.606 459 A HA 0.667 4.987 4.320 0.001 0.000 0.293 459 A C -1.495 176.043 177.584 -0.078 0.000 1.082 459 A CA -0.359 51.635 52.037 -0.073 0.000 0.685 459 A CB 1.182 20.133 19.000 -0.082 0.000 1.284 459 A HN 0.111 nan 8.150 nan 0.000 0.408 460 D N 1.066 121.429 120.400 -0.061 0.000 2.225 460 D HA 0.415 5.055 4.640 0.001 0.000 0.248 460 D C -0.143 176.124 176.300 -0.054 0.000 1.096 460 D CA -0.010 53.959 54.000 -0.053 0.000 0.863 460 D CB 1.794 42.573 40.800 -0.035 0.000 1.156 460 D HN 0.204 nan 8.370 nan 0.000 0.450 461 V N 2.998 122.880 119.914 -0.053 0.000 2.479 461 V HA -0.019 4.102 4.120 0.001 0.000 0.281 461 V C 1.470 177.559 176.094 -0.008 0.000 1.031 461 V CA -0.111 62.165 62.300 -0.039 0.000 1.038 461 V CB 1.269 33.072 31.823 -0.033 0.000 0.981 461 V HN 0.405 nan 8.190 nan 0.000 0.478 462 V N 4.112 124.025 119.914 -0.002 0.000 2.575 462 V HA 0.370 4.491 4.120 0.001 0.000 0.242 462 V C 1.069 177.184 176.094 0.035 0.000 1.045 462 V CA 1.423 63.729 62.300 0.010 0.000 1.065 462 V CB 0.146 31.969 31.823 0.000 0.000 0.717 462 V HN 0.948 nan 8.190 nan 0.000 0.467 463 G N -1.794 107.043 108.800 0.061 0.000 2.742 463 G HA2 0.471 4.432 3.960 0.001 0.000 0.296 463 G HA3 0.471 4.432 3.960 0.001 0.000 0.296 463 G C -2.126 172.903 174.900 0.214 0.000 1.436 463 G CA -0.436 44.725 45.100 0.102 0.000 0.928 463 G HN 0.143 nan 8.290 nan 0.000 0.520 464 W N 3.632 124.913 121.300 -0.030 0.000 2.521 464 W HA 0.412 5.073 4.660 0.001 0.000 0.310 464 W C -1.609 174.899 176.519 -0.019 0.000 1.000 464 W CA -0.814 56.509 57.345 -0.036 0.000 1.353 464 W CB 1.645 31.085 29.460 -0.034 0.000 1.276 464 W HN 0.458 nan 8.180 nan 0.000 0.417 465 D N 5.111 125.373 120.400 -0.230 0.000 2.380 465 D HA 0.178 4.818 4.640 0.001 0.000 0.230 465 D C 1.106 176.893 176.300 -0.855 0.000 1.154 465 D CA 0.013 53.763 54.000 -0.416 0.000 0.859 465 D CB 1.064 41.775 40.800 -0.148 0.000 1.045 465 D HN 0.528 nan 8.370 nan 0.000 0.495 466 R N 2.214 122.156 120.500 -0.931 0.000 2.307 466 R HA 0.008 4.349 4.340 0.001 0.000 0.199 466 R C 1.579 177.656 176.300 -0.372 0.000 1.000 466 R CA 0.571 56.149 56.100 -0.870 0.000 1.023 466 R CB 0.531 30.457 30.300 -0.623 0.000 0.908 466 R HN 0.540 nan 8.270 nan 0.000 0.473 467 Q N -0.055 119.596 119.800 -0.249 0.000 2.178 467 Q HA -0.018 4.323 4.340 0.001 0.000 0.195 467 Q C 2.099 178.103 176.000 0.007 0.000 0.960 467 Q CA 1.473 57.222 55.803 -0.090 0.000 0.843 467 Q CB 0.174 28.873 28.738 -0.064 0.000 0.927 467 Q HN 0.276 nan 8.270 nan 0.000 0.487 468 S N 0.030 115.741 115.700 0.018 0.000 2.522 468 S HA -0.019 4.452 4.470 0.001 0.000 0.227 468 S C 0.613 175.364 174.600 0.252 0.000 0.986 468 S CA 0.057 58.367 58.200 0.183 0.000 0.929 468 S CB 0.157 63.426 63.200 0.116 0.000 0.769 468 S HN 0.216 nan 8.310 nan 0.000 0.529 469 R N -0.189 120.349 120.500 0.063 0.000 3.878 469 R HA -0.090 4.251 4.340 0.001 0.000 0.330 469 R C -0.995 175.490 176.300 0.307 0.000 1.186 469 R CA 0.592 56.772 56.100 0.133 0.000 0.885 469 R CB -2.910 27.539 30.300 0.249 0.000 1.377 469 R HN 0.545 nan 8.270 nan 0.000 0.523 470 L N 1.194 122.559 121.223 0.238 0.000 2.265 470 L HA 0.429 4.770 4.340 0.001 0.000 0.289 470 L C 0.418 177.496 176.870 0.347 0.000 1.033 470 L CA -0.995 53.987 54.840 0.236 0.000 0.814 470 L CB 1.214 43.355 42.059 0.137 0.000 1.203 470 L HN -0.081 nan 8.230 nan 0.000 0.423 471 L N 4.222 125.605 121.223 0.267 0.000 2.292 471 L HA 0.529 4.869 4.340 0.001 0.000 0.284 471 L C 0.204 177.085 176.870 0.019 0.000 1.065 471 L CA 0.349 55.279 54.840 0.151 0.000 0.806 471 L CB 1.593 43.510 42.059 -0.236 0.000 1.175 471 L HN 0.650 nan 8.230 nan 0.000 0.431 472 T N 3.283 117.857 114.554 0.033 0.000 2.807 472 T HA 0.736 5.086 4.350 0.001 0.000 0.279 472 T C -0.339 174.340 174.700 -0.035 0.000 0.993 472 T CA -0.502 61.590 62.100 -0.013 0.000 0.970 472 T CB 1.320 70.192 68.868 0.007 0.000 0.950 472 T HN 0.730 nan 8.240 nan 0.000 0.441 473 V N 0.391 120.268 119.914 -0.062 0.000 3.040 473 V HA 0.828 4.949 4.120 0.001 0.000 0.312 473 V C -0.665 175.395 176.094 -0.057 0.000 1.115 473 V CA -1.491 60.769 62.300 -0.067 0.000 0.998 473 V CB 2.105 33.870 31.823 -0.097 0.000 1.042 473 V HN 1.084 nan 8.190 nan 0.000 0.433 474 R N 1.187 121.657 120.500 -0.050 0.000 2.534 474 R HA 0.778 5.119 4.340 0.001 0.000 0.301 474 R C -0.687 175.587 176.300 -0.044 0.000 0.961 474 R CA 0.085 56.160 56.100 -0.042 0.000 0.871 474 R CB 2.083 32.365 30.300 -0.030 0.000 1.170 474 R HN 1.158 nan 8.270 nan 0.000 0.446 475 T N 1.227 115.756 114.554 -0.041 0.000 2.887 475 T HA 0.564 4.915 4.350 0.001 0.000 0.288 475 T C -2.327 172.356 174.700 -0.029 0.000 1.021 475 T CA -1.734 60.343 62.100 -0.038 0.000 1.000 475 T CB 1.651 70.494 68.868 -0.042 0.000 1.034 475 T HN 0.390 nan 8.240 nan 0.000 0.467 476 P HA 0.394 nan 4.420 nan 0.000 0.271 476 P C 0.057 177.347 177.300 -0.017 0.000 1.218 476 P CA -0.587 62.502 63.100 -0.018 0.000 0.780 476 P CB 0.724 32.414 31.700 -0.016 0.000 0.901 477 A N 1.398 124.210 122.820 -0.014 0.000 2.390 477 A HA 0.085 4.406 4.320 0.001 0.000 0.232 477 A C 0.772 178.351 177.584 -0.008 0.000 1.233 477 A CA 0.127 52.157 52.037 -0.012 0.000 0.907 477 A CB -0.258 18.735 19.000 -0.011 0.000 0.967 477 A HN 0.589 nan 8.150 nan 0.000 0.512 478 D N -1.631 118.765 120.400 -0.007 0.000 2.571 478 D HA 0.189 4.830 4.640 0.001 0.000 0.239 478 D C 0.063 176.360 176.300 -0.004 0.000 1.267 478 D CA 0.230 54.227 54.000 -0.005 0.000 0.823 478 D CB -0.233 40.564 40.800 -0.004 0.000 1.056 478 D HN -0.012 nan 8.370 nan 0.000 0.494 479 S N -0.133 115.563 115.700 -0.005 0.000 2.941 479 S HA 0.582 5.053 4.470 0.001 0.000 0.251 479 S C 0.794 175.392 174.600 -0.003 0.000 1.029 479 S CA -0.206 57.991 58.200 -0.005 0.000 1.062 479 S CB 0.944 64.140 63.200 -0.006 0.000 0.977 479 S HN 0.720 nan 8.310 nan 0.000 0.552 480 G N 2.764 111.563 108.800 -0.002 0.000 2.645 480 G HA2 -0.242 3.719 3.960 0.001 0.000 0.239 480 G HA3 -0.242 3.719 3.960 0.001 0.000 0.239 480 G C -0.704 174.195 174.900 -0.002 0.000 1.331 480 G CA -0.812 44.287 45.100 -0.001 0.000 0.890 480 G HN 0.413 nan 8.290 nan 0.000 0.572 481 N N -0.358 118.343 118.700 0.001 0.000 2.483 481 N HA 0.389 5.130 4.740 0.001 0.000 0.264 481 N C 0.182 175.691 175.510 -0.001 0.000 1.197 481 N CA 0.120 53.171 53.050 0.002 0.000 0.927 481 N CB 1.320 39.812 38.487 0.009 0.000 1.065 481 N HN 0.674 nan 8.380 nan 0.000 0.461 482 V N 1.732 121.642 119.914 -0.005 0.000 2.459 482 V HA 0.361 4.482 4.120 0.001 0.000 0.295 482 V C 0.237 176.327 176.094 -0.007 0.000 1.029 482 V CA -0.682 61.612 62.300 -0.010 0.000 0.874 482 V CB 1.861 33.672 31.823 -0.019 0.000 0.985 482 V HN 0.566 nan 8.190 nan 0.000 0.438 483 T N 4.419 118.971 114.554 -0.004 0.000 2.743 483 T HA 0.506 4.856 4.350 0.001 0.000 0.292 483 T C -0.249 174.445 174.700 -0.010 0.000 0.972 483 T CA -0.271 61.830 62.100 0.003 0.000 0.967 483 T CB 1.218 70.094 68.868 0.013 0.000 0.926 483 T HN 0.377 nan 8.240 nan 0.000 0.459 484 V N 4.315 124.219 119.914 -0.017 0.000 2.394 484 V HA 0.507 4.627 4.120 0.001 0.000 0.282 484 V C 0.318 176.397 176.094 -0.025 0.000 1.031 484 V CA -0.667 61.610 62.300 -0.039 0.000 0.881 484 V CB 1.560 33.344 31.823 -0.064 0.000 0.982 484 V HN 0.922 nan 8.190 nan 0.000 0.451 485 T N 4.313 118.849 114.554 -0.030 0.000 2.809 485 T HA 0.595 4.946 4.350 0.001 0.000 0.284 485 T C -0.491 174.196 174.700 -0.022 0.000 0.992 485 T CA -0.425 61.673 62.100 -0.003 0.000 0.957 485 T CB 1.609 70.491 68.868 0.023 0.000 0.942 485 T HN 0.358 nan 8.240 nan 0.000 0.439 486 V N 4.093 124.006 119.914 -0.000 0.000 2.448 486 V HA 0.783 4.904 4.120 0.001 0.000 0.295 486 V C 0.329 176.528 176.094 0.176 0.000 1.025 486 V CA -0.768 61.531 62.300 -0.001 0.000 0.859 486 V CB 1.510 33.246 31.823 -0.145 0.000 0.988 486 V HN 1.118 nan 8.190 nan 0.000 0.431 487 T N 3.185 117.876 114.554 0.228 0.000 2.865 487 T HA 0.722 5.073 4.350 0.001 0.000 0.294 487 T C -3.208 171.612 174.700 0.199 0.000 1.119 487 T CA -2.444 59.784 62.100 0.213 0.000 1.007 487 T CB 2.442 71.373 68.868 0.105 0.000 1.225 487 T HN 0.362 nan 8.240 nan 0.000 0.515 488 P HA 0.461 nan 4.420 nan 0.000 0.275 488 P C -0.447 176.858 177.300 0.009 0.000 1.228 488 P CA -0.386 62.669 63.100 -0.075 0.000 0.786 488 P CB 0.177 31.694 31.700 -0.305 0.000 0.927 489 A N 2.556 125.411 122.820 0.057 0.000 2.483 489 A HA 0.465 4.785 4.320 0.001 0.000 0.238 489 A C 0.803 178.384 177.584 -0.005 0.000 1.070 489 A CA 0.126 52.191 52.037 0.047 0.000 0.770 489 A CB -0.521 18.526 19.000 0.078 0.000 1.008 489 A HN 0.641 nan 8.150 nan 0.000 0.497 490 A N 0.000 122.800 122.820 -0.033 0.000 2.254 490 A HA 0.000 4.321 4.320 0.001 0.000 0.244 490 A CA 0.000 52.010 52.037 -0.045 0.000 0.836 490 A CB 0.000 18.962 19.000 -0.062 0.000 0.831 490 A HN 0.000 nan 8.150 nan 0.000 0.486