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 2osw_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 PHLYPLPLXX 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 0.000 177.239 177.300 -0.102 0.000 1.155 43 P CA 0.000 63.042 63.100 -0.097 0.000 0.800 43 P CB 0.000 31.584 31.700 -0.193 0.000 0.726 44 S N -0.206 115.376 115.700 -0.198 0.000 2.638 44 S HA 0.871 5.342 4.470 0.001 0.000 0.298 44 S C -1.090 173.298 174.600 -0.353 0.000 1.111 44 S CA -0.667 57.471 58.200 -0.105 0.000 1.027 44 S CB 1.242 64.436 63.200 -0.010 0.000 1.064 44 S HN 0.368 nan 8.310 nan 0.000 0.525 45 Y N -0.082 120.173 120.300 -0.076 0.000 2.499 45 Y HA 0.547 5.098 4.550 0.001 0.000 0.347 45 Y C -0.289 175.427 175.900 -0.307 0.000 0.987 45 Y CA -1.209 56.791 58.100 -0.168 0.000 1.044 45 Y CB 1.095 39.498 38.460 -0.095 0.000 1.245 45 Y HN 0.537 nan 8.280 nan 0.000 0.461 46 L N 3.701 124.668 121.223 -0.426 0.000 2.483 46 L HA 0.163 4.503 4.340 0.001 0.000 0.275 46 L C -0.164 176.631 176.870 -0.126 0.000 1.220 46 L CA 0.206 54.633 54.840 -0.689 0.000 0.833 46 L CB 0.079 41.598 42.059 -0.900 0.000 1.102 46 L HN 0.444 nan 8.230 nan 0.000 0.490 47 K N 1.100 121.555 120.400 0.092 0.000 2.328 47 K HA 0.416 4.736 4.320 0.001 0.000 0.246 47 K C -0.903 175.777 176.600 0.133 0.000 0.955 47 K CA -0.923 55.438 56.287 0.124 0.000 0.817 47 K CB 1.745 34.349 32.500 0.174 0.000 1.208 47 K HN 0.611 nan 8.250 nan 0.000 0.432 48 D N -0.357 120.090 120.400 0.077 0.000 2.447 48 D HA 0.064 4.705 4.640 0.001 0.000 0.265 48 D C 0.298 176.646 176.300 0.079 0.000 1.250 48 D CA -0.217 53.829 54.000 0.077 0.000 1.046 48 D CB 0.465 41.293 40.800 0.047 0.000 1.095 48 D HN 0.267 nan 8.370 nan 0.000 0.555 49 D N -1.039 119.402 120.400 0.067 0.000 2.309 49 D HA -0.095 4.545 4.640 0.001 0.000 0.212 49 D C 0.537 176.862 176.300 0.042 0.000 0.968 49 D CA 0.794 54.827 54.000 0.056 0.000 0.882 49 D CB -0.069 40.761 40.800 0.049 0.000 0.918 49 D HN 0.403 nan 8.370 nan 0.000 0.503 50 D N -0.632 119.788 120.400 0.034 0.000 2.340 50 D HA 0.096 4.737 4.640 0.001 0.000 0.220 50 D C 1.506 177.818 176.300 0.021 0.000 1.039 50 D CA 0.526 54.539 54.000 0.022 0.000 0.866 50 D CB 0.752 41.560 40.800 0.012 0.000 0.913 50 D HN 0.240 nan 8.370 nan 0.000 0.523 51 G N 1.780 110.601 108.800 0.034 0.000 2.159 51 G HA2 -0.319 3.641 3.960 0.001 0.000 0.256 51 G HA3 -0.319 3.641 3.960 0.001 0.000 0.256 51 G C 0.356 175.267 174.900 0.019 0.000 0.977 51 G CA -0.270 44.852 45.100 0.037 0.000 0.652 51 G HN 0.277 nan 8.290 nan 0.000 0.531 52 R N 0.622 121.124 120.500 0.003 0.000 2.490 52 R HA 0.477 4.818 4.340 0.001 0.000 0.280 52 R C 0.229 176.504 176.300 -0.042 0.000 1.077 52 R CA 0.027 56.108 56.100 -0.033 0.000 1.065 52 R CB 0.713 30.987 30.300 -0.043 0.000 1.003 52 R HN 0.196 nan 8.270 nan 0.000 0.470 53 S N 3.015 118.652 115.700 -0.105 0.000 2.499 53 S HA 0.214 4.685 4.470 0.001 0.000 0.275 53 S C 0.058 174.560 174.600 -0.164 0.000 1.257 53 S CA -0.538 57.568 58.200 -0.156 0.000 1.050 53 S CB 0.425 63.394 63.200 -0.385 0.000 0.937 53 S HN 0.305 nan 8.310 nan 0.000 0.490 54 L N 4.228 125.416 121.223 -0.058 0.000 2.275 54 L HA 0.498 4.838 4.340 0.001 0.000 0.288 54 L C -0.392 176.500 176.870 0.036 0.000 1.046 54 L CA -0.329 54.489 54.840 -0.037 0.000 0.805 54 L CB 0.752 42.779 42.059 -0.054 0.000 1.193 54 L HN 0.530 nan 8.230 nan 0.000 0.426 55 I N 5.056 125.642 120.570 0.027 0.000 2.328 55 I HA 0.298 4.469 4.170 0.001 0.000 0.287 55 I C -0.440 175.738 176.117 0.101 0.000 1.012 55 I CA -0.268 61.100 61.300 0.113 0.000 1.195 55 I CB 1.134 39.201 38.000 0.111 0.000 1.350 55 I HN 0.390 nan 8.210 nan 0.000 0.464 56 L N 7.250 128.455 121.223 -0.030 0.000 2.282 56 L HA 0.574 4.914 4.340 0.001 0.000 0.288 56 L C -0.169 176.673 176.870 -0.046 0.000 1.033 56 L CA -0.660 54.085 54.840 -0.159 0.000 0.807 56 L CB 0.776 42.388 42.059 -0.746 0.000 1.209 56 L HN 0.461 nan 8.230 nan 0.000 0.423 57 R N 2.925 123.474 120.500 0.082 0.000 2.502 57 R HA 0.744 5.085 4.340 0.001 0.000 0.298 57 R C -0.331 176.080 176.300 0.185 0.000 1.018 57 R CA -0.520 55.603 56.100 0.040 0.000 0.899 57 R CB 1.968 32.030 30.300 -0.397 0.000 1.181 57 R HN 0.862 nan 8.270 nan 0.000 0.444 58 G N 1.554 110.482 108.800 0.213 0.000 2.510 58 G HA2 0.534 4.495 3.960 0.001 0.000 0.277 58 G HA3 0.534 4.495 3.960 0.001 0.000 0.277 58 G C -1.721 173.095 174.900 -0.141 0.000 1.223 58 G CA -0.424 44.773 45.100 0.161 0.000 0.887 58 G HN 0.190 nan 8.290 nan 0.000 0.485 59 F N 0.432 120.492 119.950 0.182 0.000 2.593 59 F HA 0.486 5.014 4.527 0.001 0.000 0.320 59 F C 0.439 176.214 175.800 -0.041 0.000 1.060 59 F CA -0.949 57.117 58.000 0.110 0.000 0.940 59 F CB 2.016 41.059 39.000 0.071 0.000 1.268 59 F HN 0.141 nan 8.300 nan 0.000 0.475 60 N N 1.078 119.863 118.700 0.141 0.000 2.442 60 N HA 0.196 4.937 4.740 0.001 0.000 0.265 60 N C -1.039 174.311 175.510 -0.266 0.000 1.138 60 N CA 0.410 53.416 53.050 -0.072 0.000 0.956 60 N CB 1.008 39.450 38.487 -0.075 0.000 1.067 60 N HN 0.488 nan 8.380 nan 0.000 0.474 61 T N 1.365 115.706 114.554 -0.357 0.000 2.906 61 T HA 0.608 4.958 4.350 0.001 0.000 0.302 61 T C -0.642 173.648 174.700 -0.683 0.000 1.002 61 T CA -0.585 61.195 62.100 -0.533 0.000 0.988 61 T CB 1.269 69.766 68.868 -0.618 0.000 0.972 61 T HN 0.598 nan 8.240 nan 0.000 0.447 62 A N 1.559 124.016 122.820 -0.605 0.000 2.606 62 A HA 0.775 5.096 4.320 0.001 0.000 0.293 62 A C 1.135 178.448 177.584 -0.451 0.000 1.082 62 A CA -0.551 51.177 52.037 -0.514 0.000 0.685 62 A CB 1.135 19.907 19.000 -0.381 0.000 1.284 62 A HN 0.527 nan 8.150 nan 0.000 0.408 63 S N 0.094 115.506 115.700 -0.480 0.000 2.419 63 S HA -0.166 4.305 4.470 0.001 0.000 0.235 63 S C 2.020 176.496 174.600 -0.206 0.000 1.019 63 S CA 2.587 60.618 58.200 -0.281 0.000 0.982 63 S CB -0.492 62.592 63.200 -0.192 0.000 0.789 63 S HN 1.650 nan 8.310 nan 0.000 0.490 64 S N 1.080 116.661 115.700 -0.197 0.000 2.442 64 S HA 0.040 4.510 4.470 0.001 0.000 0.236 64 S C 1.899 176.427 174.600 -0.120 0.000 1.007 64 S CA 0.923 59.044 58.200 -0.131 0.000 0.965 64 S CB -0.613 62.534 63.200 -0.088 0.000 0.773 64 S HN 0.617 nan 8.310 nan 0.000 0.504 65 A N 2.060 124.782 122.820 -0.162 0.000 2.015 65 A HA 0.027 4.348 4.320 0.001 0.000 0.219 65 A C 2.185 179.701 177.584 -0.113 0.000 1.163 65 A CA 1.235 53.190 52.037 -0.136 0.000 0.646 65 A CB -0.516 18.357 19.000 -0.211 0.000 0.806 65 A HN 0.586 nan 8.150 nan 0.000 0.448 66 K N 0.362 120.683 120.400 -0.131 0.000 2.074 66 K HA -0.155 4.166 4.320 0.001 0.000 0.209 66 K C 1.859 178.397 176.600 -0.104 0.000 1.048 66 K CA 1.865 58.089 56.287 -0.106 0.000 0.926 66 K CB -0.165 32.269 32.500 -0.110 0.000 0.713 66 K HN 0.653 nan 8.250 nan 0.000 0.444 67 S N -0.857 114.781 115.700 -0.104 0.000 2.603 67 S HA 0.334 4.805 4.470 0.001 0.000 0.232 67 S C 0.397 174.950 174.600 -0.079 0.000 1.016 67 S CA -0.512 57.629 58.200 -0.099 0.000 0.976 67 S CB 0.673 63.810 63.200 -0.104 0.000 0.921 67 S HN 0.191 nan 8.310 nan 0.000 0.516 68 A N 3.317 126.098 122.820 -0.065 0.000 2.522 68 A HA 0.458 4.779 4.320 0.001 0.000 0.256 68 A C -0.927 176.633 177.584 -0.040 0.000 1.086 68 A CA -1.035 50.978 52.037 -0.040 0.000 0.763 68 A CB -0.184 18.806 19.000 -0.017 0.000 1.024 68 A HN 0.283 nan 8.150 nan 0.000 0.502 69 P HA -0.213 nan 4.420 nan 0.000 0.216 69 P C 0.762 178.047 177.300 -0.025 0.000 1.154 69 P CA 1.886 64.964 63.100 -0.037 0.000 0.865 69 P CB 0.100 31.785 31.700 -0.025 0.000 0.789 70 D N -2.291 118.116 120.400 0.011 0.000 2.340 70 D HA 0.087 4.728 4.640 0.001 0.000 0.220 70 D C 1.369 177.734 176.300 0.109 0.000 1.039 70 D CA 0.563 54.597 54.000 0.057 0.000 0.866 70 D CB -0.896 39.952 40.800 0.080 0.000 0.913 70 D HN 0.247 nan 8.370 nan 0.000 0.523 71 G N 0.021 108.850 108.800 0.048 0.000 2.184 71 G HA2 -0.264 3.697 3.960 0.001 0.000 0.264 71 G HA3 -0.264 3.697 3.960 0.001 0.000 0.264 71 G C 0.131 175.141 174.900 0.184 0.000 0.975 71 G CA 0.605 45.752 45.100 0.078 0.000 0.642 71 G HN 0.267 nan 8.290 nan 0.000 0.536 72 M N 1.204 120.891 119.600 0.145 0.000 2.423 72 M HA 0.481 4.962 4.480 0.001 0.000 0.335 72 M C -2.075 174.257 176.300 0.053 0.000 1.177 72 M CA -3.351 52.029 55.300 0.134 0.000 1.038 72 M CB 0.644 33.336 32.600 0.154 0.000 1.641 72 M HN -0.002 nan 8.290 nan 0.000 0.455 73 P HA 0.153 nan 4.420 nan 0.000 0.274 73 P C -1.038 176.326 177.300 0.107 0.000 1.237 73 P CA -0.293 62.799 63.100 -0.014 0.000 0.793 73 P CB 0.391 32.019 31.700 -0.120 0.000 0.977 74 Q N 1.087 120.936 119.800 0.081 0.000 2.837 74 Q HA 0.349 4.689 4.340 0.001 0.000 0.235 74 Q C -0.976 175.148 176.000 0.207 0.000 1.348 74 Q CA 0.263 56.130 55.803 0.108 0.000 0.990 74 Q CB -0.627 28.136 28.738 0.042 0.000 1.570 74 Q HN 0.375 nan 8.270 nan 0.000 0.575 75 F N 0.794 120.792 119.950 0.080 0.000 2.623 75 F HA 0.278 4.806 4.527 0.001 0.000 0.323 75 F C -0.500 175.444 175.800 0.241 0.000 1.158 75 F CA -0.572 57.495 58.000 0.112 0.000 1.030 75 F CB 1.438 40.516 39.000 0.129 0.000 1.280 75 F HN 0.194 nan 8.300 nan 0.000 0.474 76 T N 0.602 114.952 114.554 -0.340 0.000 2.937 76 T HA 0.326 4.677 4.350 0.001 0.000 0.283 76 T C 0.822 175.004 174.700 -0.864 0.000 1.012 76 T CA -0.304 61.558 62.100 -0.398 0.000 0.997 76 T CB 1.756 70.401 68.868 -0.371 0.000 1.136 76 T HN 0.806 nan 8.240 nan 0.000 0.551 77 E N 0.207 119.597 120.200 -1.351 0.000 2.110 77 E HA -0.099 4.252 4.350 0.001 0.000 0.193 77 E C 2.255 178.434 176.600 -0.702 0.000 0.988 77 E CA 1.178 56.801 56.400 -1.294 0.000 0.804 77 E CB -0.563 28.238 29.700 -1.499 0.000 0.745 77 E HN 0.768 nan 8.360 nan 0.000 0.458 78 A N 1.143 123.620 122.820 -0.571 0.000 1.933 78 A HA -0.210 4.111 4.320 0.001 0.000 0.218 78 A C 1.758 179.093 177.584 -0.415 0.000 1.175 78 A CA 1.768 53.565 52.037 -0.401 0.000 0.628 78 A CB -0.427 18.382 19.000 -0.319 0.000 0.814 78 A HN 0.270 nan 8.150 nan 0.000 0.444 79 D N -0.431 119.620 120.400 -0.583 0.000 2.117 79 D HA -0.124 4.517 4.640 0.001 0.000 0.197 79 D C 1.827 177.812 176.300 -0.525 0.000 0.987 79 D CA 1.215 54.820 54.000 -0.658 0.000 0.829 79 D CB -0.359 39.807 40.800 -1.056 0.000 0.961 79 D HN 0.368 nan 8.370 nan 0.000 0.460 80 L N 1.069 121.944 121.223 -0.580 0.000 2.056 80 L HA -0.024 4.317 4.340 0.001 0.000 0.207 80 L C 2.156 179.013 176.870 -0.021 0.000 1.078 80 L CA 1.582 56.339 54.840 -0.139 0.000 0.749 80 L CB -0.831 41.103 42.059 -0.209 0.000 0.901 80 L HN -0.044 nan 8.230 nan 0.000 0.433 81 A N -0.272 122.475 122.820 -0.121 0.000 1.908 81 A HA -0.287 4.033 4.320 0.001 0.000 0.218 81 A C 2.557 180.175 177.584 0.056 0.000 1.181 81 A CA 2.017 54.046 52.037 -0.013 0.000 0.627 81 A CB -0.695 18.246 19.000 -0.098 0.000 0.818 81 A HN 0.528 nan 8.150 nan 0.000 0.445 82 R N -0.337 120.140 120.500 -0.040 0.000 2.070 82 R HA -0.187 4.154 4.340 0.001 0.000 0.233 82 R C 2.273 178.649 176.300 0.127 0.000 1.137 82 R CA 1.812 57.897 56.100 -0.025 0.000 0.945 82 R CB -0.376 29.796 30.300 -0.214 0.000 0.845 82 R HN 0.724 nan 8.270 nan 0.000 0.430 83 E N -0.688 119.623 120.200 0.185 0.000 2.070 83 E HA -0.285 4.066 4.350 0.001 0.000 0.197 83 E C 1.812 178.619 176.600 0.346 0.000 1.004 83 E CA 1.680 58.281 56.400 0.336 0.000 0.805 83 E CB -0.298 29.644 29.700 0.404 0.000 0.744 83 E HN 0.453 nan 8.360 nan 0.000 0.451 84 Y N 0.476 120.938 120.300 0.269 0.000 2.200 84 Y HA -0.137 4.414 4.550 0.001 0.000 0.290 84 Y C 2.088 178.087 175.900 0.165 0.000 1.137 84 Y CA 1.658 59.912 58.100 0.255 0.000 1.163 84 Y CB -0.527 38.109 38.460 0.292 0.000 0.988 84 Y HN 0.152 nan 8.280 nan 0.000 0.518 85 A N -0.267 122.646 122.820 0.155 0.000 1.933 85 A HA -0.166 4.155 4.320 0.001 0.000 0.218 85 A C 1.770 179.393 177.584 0.065 0.000 1.175 85 A CA 2.080 54.169 52.037 0.086 0.000 0.628 85 A CB -0.595 18.473 19.000 0.113 0.000 0.814 85 A HN 0.511 nan 8.150 nan 0.000 0.444 86 D N -1.626 118.840 120.400 0.109 0.000 2.240 86 D HA 0.122 4.763 4.640 0.001 0.000 0.206 86 D C 1.603 177.970 176.300 0.112 0.000 0.963 86 D CA 1.005 55.087 54.000 0.137 0.000 0.863 86 D CB 0.121 41.055 40.800 0.223 0.000 0.973 86 D HN 0.472 nan 8.370 nan 0.000 0.501 87 M N -1.680 117.957 119.600 0.062 0.000 2.231 87 M HA 0.230 4.710 4.480 0.001 0.000 0.347 87 M C 0.749 176.894 176.300 -0.258 0.000 0.901 87 M CA 0.163 55.475 55.300 0.021 0.000 1.064 87 M CB 2.164 34.838 32.600 0.122 0.000 1.861 87 M HN -0.018 nan 8.290 nan 0.000 0.638 88 G N 2.988 111.455 108.800 -0.555 0.000 2.283 88 G HA2 -0.259 3.702 3.960 0.001 0.000 0.280 88 G HA3 -0.259 3.702 3.960 0.001 0.000 0.280 88 G C 0.193 174.767 174.900 -0.544 0.000 1.029 88 G CA 0.589 44.957 45.100 -1.221 0.000 0.840 88 G HN 0.535 nan 8.290 nan 0.000 0.505 89 T N -1.725 112.787 114.554 -0.070 0.000 2.856 89 T HA 0.430 4.781 4.350 0.001 0.000 0.306 89 T C 1.041 175.686 174.700 -0.091 0.000 1.062 89 T CA 0.372 62.544 62.100 0.120 0.000 1.083 89 T CB 1.395 70.507 68.868 0.407 0.000 0.984 89 T HN 0.844 nan 8.240 nan 0.000 0.542 90 N N -0.460 118.236 118.700 -0.008 0.000 2.184 90 N HA 0.165 4.906 4.740 0.001 0.000 0.234 90 N C -0.893 174.745 175.510 0.214 0.000 1.282 90 N CA -0.579 52.368 53.050 -0.172 0.000 0.877 90 N CB 0.236 38.772 38.487 0.080 0.000 1.184 90 N HN 0.572 nan 8.380 nan 0.000 0.510 91 F N 0.402 120.512 119.950 0.267 0.000 2.613 91 F HA 0.734 5.262 4.527 0.001 0.000 0.310 91 F C -1.649 174.367 175.800 0.360 0.000 1.085 91 F CA -1.291 56.881 58.000 0.287 0.000 0.945 91 F CB 1.973 41.064 39.000 0.153 0.000 1.298 91 F HN -0.175 nan 8.300 nan 0.000 0.455 92 V N 5.353 124.924 119.914 -0.573 0.000 2.851 92 V HA 0.547 4.668 4.120 0.001 0.000 0.307 92 V C -1.476 174.052 176.094 -0.943 0.000 1.129 92 V CA -0.766 61.150 62.300 -0.639 0.000 0.932 92 V CB 2.086 33.518 31.823 -0.651 0.000 1.024 92 V HN 0.875 nan 8.190 nan 0.000 0.426 93 R N 5.183 125.325 120.500 -0.596 0.000 2.230 93 R HA 0.397 4.738 4.340 0.001 0.000 0.337 93 R C -1.485 174.731 176.300 -0.139 0.000 1.063 93 R CA -0.410 55.524 56.100 -0.276 0.000 0.935 93 R CB 0.543 30.815 30.300 -0.047 0.000 1.121 93 R HN 0.639 nan 8.270 nan 0.000 0.486 94 F N 5.522 125.324 119.950 -0.246 0.000 2.405 94 F HA 0.307 4.835 4.527 0.001 0.000 0.355 94 F C -0.779 174.969 175.800 -0.086 0.000 1.121 94 F CA -0.885 56.979 58.000 -0.225 0.000 1.112 94 F CB 0.695 39.510 39.000 -0.307 0.000 1.126 94 F HN 0.374 nan 8.300 nan 0.000 0.481 95 L N 7.851 128.776 121.223 -0.496 0.000 2.418 95 L HA 0.280 4.621 4.340 0.001 0.000 0.274 95 L C 0.210 177.010 176.870 -0.116 0.000 1.135 95 L CA 0.297 54.999 54.840 -0.229 0.000 0.870 95 L CB 0.216 42.071 42.059 -0.339 0.000 1.154 95 L HN 0.521 nan 8.230 nan 0.000 0.462 96 I N -0.097 120.538 120.570 0.108 0.000 3.237 96 I HA 0.933 5.104 4.170 0.001 0.000 0.308 96 I C -0.302 175.893 176.117 0.129 0.000 1.093 96 I CA -0.684 60.733 61.300 0.195 0.000 1.001 96 I CB 2.375 40.496 38.000 0.202 0.000 1.245 96 I HN 0.541 nan 8.210 nan 0.000 0.485 97 S N 0.509 116.267 115.700 0.095 0.000 2.540 97 S HA 0.243 4.714 4.470 0.001 0.000 0.275 97 S C -0.274 174.324 174.600 -0.002 0.000 1.123 97 S CA -0.744 57.465 58.200 0.014 0.000 0.907 97 S CB 1.480 64.647 63.200 -0.054 0.000 1.081 97 S HN 0.987 nan 8.310 nan 0.000 0.476 98 W N 3.892 125.073 121.300 -0.198 0.000 2.338 98 W HA -0.157 4.503 4.660 0.001 0.000 0.304 98 W C 2.151 178.558 176.519 -0.186 0.000 1.212 98 W CA 1.710 58.932 57.345 -0.204 0.000 1.264 98 W CB -0.617 28.738 29.460 -0.174 0.000 1.142 98 W HN 0.954 nan 8.180 nan 0.000 0.512 99 R N -0.119 120.264 120.500 -0.195 0.000 2.127 99 R HA -0.095 4.246 4.340 0.001 0.000 0.238 99 R C 1.979 178.124 176.300 -0.258 0.000 1.134 99 R CA 2.221 58.124 56.100 -0.329 0.000 0.975 99 R CB -1.398 28.703 30.300 -0.331 0.000 0.865 99 R HN -0.020 nan 8.270 nan 0.000 0.447 100 S N 0.035 115.524 115.700 -0.351 0.000 2.406 100 S HA 0.072 4.542 4.470 0.001 0.000 0.224 100 S C 1.883 176.213 174.600 -0.450 0.000 1.030 100 S CA 0.725 58.533 58.200 -0.654 0.000 0.958 100 S CB 0.042 62.367 63.200 -1.457 0.000 0.811 100 S HN 0.131 nan 8.310 nan 0.000 0.489 101 V N 1.108 120.940 119.914 -0.137 0.000 2.358 101 V HA -0.010 4.111 4.120 0.001 0.000 0.246 101 V C 1.238 177.521 176.094 0.315 0.000 1.047 101 V CA 1.230 63.654 62.300 0.207 0.000 1.035 101 V CB -0.221 31.724 31.823 0.202 0.000 0.658 101 V HN 0.434 nan 8.190 nan 0.000 0.452 102 E N 0.451 120.832 120.200 0.301 0.000 3.303 102 E HA 0.193 4.543 4.350 0.001 0.000 0.215 102 E C -1.942 174.820 176.600 0.270 0.000 1.181 102 E CA -1.640 54.983 56.400 0.373 0.000 0.998 102 E CB 1.442 31.547 29.700 0.675 0.000 1.312 102 E HN 0.299 nan 8.360 nan 0.000 0.412 103 P HA -0.026 nan 4.420 nan 0.000 0.223 103 P C 0.006 177.406 177.300 0.168 0.000 1.151 103 P CA 0.591 63.757 63.100 0.111 0.000 0.787 103 P CB 0.393 32.106 31.700 0.022 0.000 0.788 104 A N -0.657 122.160 122.820 -0.005 0.000 2.498 104 A HA 0.653 4.974 4.320 0.001 0.000 0.298 104 A C -2.953 174.217 177.584 -0.689 0.000 1.075 104 A CA -2.178 49.613 52.037 -0.410 0.000 0.714 104 A CB 0.621 19.451 19.000 -0.284 0.000 1.299 104 A HN -0.236 nan 8.150 nan 0.000 0.407 105 P HA 0.226 nan 4.420 nan 0.000 0.258 105 P C 1.030 178.113 177.300 -0.362 0.000 1.187 105 P CA 2.267 64.709 63.100 -1.096 0.000 0.767 105 P CB 0.371 31.448 31.700 -1.038 0.000 0.770 106 G N 1.862 110.580 108.800 -0.137 0.000 2.184 106 G HA2 -0.218 3.743 3.960 0.001 0.000 0.264 106 G HA3 -0.218 3.743 3.960 0.001 0.000 0.264 106 G C -0.005 174.552 174.900 -0.571 0.000 0.975 106 G CA -0.072 44.874 45.100 -0.257 0.000 0.642 106 G HN 0.525 nan 8.290 nan 0.000 0.536 107 V N 1.137 120.725 119.914 -0.542 0.000 2.357 107 V HA 0.623 4.744 4.120 0.001 0.000 0.284 107 V C -0.384 175.467 176.094 -0.405 0.000 1.018 107 V CA -1.123 60.922 62.300 -0.426 0.000 0.841 107 V CB 1.003 32.697 31.823 -0.215 0.000 0.991 107 V HN 0.233 nan 8.190 nan 0.000 0.437 108 Y N 1.755 122.103 120.300 0.081 0.000 2.360 108 Y HA 0.455 5.006 4.550 0.001 0.000 0.337 108 Y C 0.385 176.339 175.900 0.089 0.000 1.039 108 Y CA -1.521 56.641 58.100 0.103 0.000 1.109 108 Y CB 0.992 39.515 38.460 0.103 0.000 1.201 108 Y HN 0.537 nan 8.280 nan 0.000 0.458 109 D N 2.734 123.293 120.400 0.265 0.000 2.422 109 D HA 0.060 4.701 4.640 0.001 0.000 0.227 109 D C 0.510 176.937 176.300 0.212 0.000 1.190 109 D CA 0.031 54.150 54.000 0.197 0.000 0.905 109 D CB 0.828 41.736 40.800 0.180 0.000 1.034 109 D HN 0.540 nan 8.370 nan 0.000 0.507 110 Q N 2.403 122.290 119.800 0.145 0.000 2.297 110 Q HA -0.108 4.233 4.340 0.001 0.000 0.204 110 Q C 1.338 177.379 176.000 0.070 0.000 0.962 110 Q CA 0.890 56.749 55.803 0.094 0.000 0.879 110 Q CB 0.207 28.982 28.738 0.061 0.000 0.947 110 Q HN 0.547 nan 8.270 nan 0.000 0.462 111 Q N -0.707 119.148 119.800 0.091 0.000 2.123 111 Q HA -0.119 4.222 4.340 0.001 0.000 0.199 111 Q C 1.661 177.726 176.000 0.109 0.000 0.966 111 Q CA 0.935 56.785 55.803 0.078 0.000 0.845 111 Q CB -0.391 28.393 28.738 0.076 0.000 0.907 111 Q HN 0.426 nan 8.270 nan 0.000 0.439 112 Y N 0.583 120.910 120.300 0.045 0.000 2.145 112 Y HA -0.158 4.393 4.550 0.001 0.000 0.286 112 Y C 1.494 177.434 175.900 0.068 0.000 1.145 112 Y CA 1.355 59.487 58.100 0.054 0.000 1.148 112 Y CB -0.240 38.256 38.460 0.060 0.000 0.981 112 Y HN 0.043 nan 8.280 nan 0.000 0.507 113 L N -0.035 121.130 121.223 -0.097 0.000 2.131 113 L HA -0.216 4.125 4.340 0.001 0.000 0.210 113 L C 2.030 178.817 176.870 -0.138 0.000 1.092 113 L CA 1.396 56.144 54.840 -0.154 0.000 0.759 113 L CB -0.648 41.391 42.059 -0.033 0.000 0.903 113 L HN 0.197 nan 8.230 nan 0.000 0.435 114 D N 0.161 120.506 120.400 -0.093 0.000 2.117 114 D HA -0.155 4.485 4.640 0.001 0.000 0.197 114 D C 2.352 178.597 176.300 -0.093 0.000 0.987 114 D CA 1.134 55.086 54.000 -0.080 0.000 0.829 114 D CB -0.094 40.684 40.800 -0.036 0.000 0.961 114 D HN 0.264 nan 8.370 nan 0.000 0.460 115 R N 0.318 120.755 120.500 -0.105 0.000 2.075 115 R HA -0.054 4.287 4.340 0.001 0.000 0.232 115 R C 2.428 178.611 176.300 -0.196 0.000 1.126 115 R CA 0.647 56.681 56.100 -0.110 0.000 0.963 115 R CB -0.437 29.842 30.300 -0.035 0.000 0.858 115 R HN 0.098 nan 8.270 nan 0.000 0.435 116 V N 1.264 121.017 119.914 -0.268 0.000 2.295 116 V HA -0.266 3.855 4.120 0.001 0.000 0.246 116 V C 2.308 178.297 176.094 -0.176 0.000 1.049 116 V CA 2.007 64.147 62.300 -0.266 0.000 1.024 116 V CB -0.525 31.146 31.823 -0.252 0.000 0.648 116 V HN 0.397 nan 8.190 nan 0.000 0.447 117 E N -0.040 120.190 120.200 0.050 0.000 2.118 117 E HA -0.285 4.066 4.350 0.001 0.000 0.195 117 E C 1.863 178.407 176.600 -0.093 0.000 0.992 117 E CA 1.624 58.079 56.400 0.092 0.000 0.804 117 E CB -0.083 29.585 29.700 -0.054 0.000 0.741 117 E HN 0.617 nan 8.360 nan 0.000 0.458 118 D N -0.051 120.244 120.400 -0.177 0.000 2.104 118 D HA -0.153 4.488 4.640 0.001 0.000 0.194 118 D C 2.059 177.977 176.300 -0.638 0.000 0.994 118 D CA 0.982 54.834 54.000 -0.247 0.000 0.830 118 D CB -0.150 40.549 40.800 -0.167 0.000 0.959 118 D HN 0.030 nan 8.370 nan 0.000 0.452 119 R N 0.324 120.325 120.500 -0.832 0.000 2.073 119 R HA -0.033 4.308 4.340 0.001 0.000 0.234 119 R C 2.435 178.368 176.300 -0.613 0.000 1.134 119 R CA 0.318 55.687 56.100 -1.219 0.000 0.952 119 R CB -0.964 28.794 30.300 -0.902 0.000 0.850 119 R HN 0.077 nan 8.270 nan 0.000 0.433 120 V N 0.139 119.792 119.914 -0.434 0.000 2.380 120 V HA -0.225 3.896 4.120 0.001 0.000 0.251 120 V C 2.254 178.355 176.094 0.013 0.000 1.063 120 V CA 2.161 64.362 62.300 -0.164 0.000 1.055 120 V CB -1.172 30.576 31.823 -0.125 0.000 0.657 120 V HN 0.565 nan 8.190 nan 0.000 0.455 121 G N -0.919 107.858 108.800 -0.038 0.000 2.442 121 G HA2 -0.250 3.711 3.960 0.001 0.000 0.219 121 G HA3 -0.250 3.711 3.960 0.001 0.000 0.219 121 G C 1.208 176.223 174.900 0.191 0.000 1.141 121 G CA 0.881 46.026 45.100 0.074 0.000 0.763 121 G HN 0.535 nan 8.290 nan 0.000 0.554 122 W N 0.253 121.528 121.300 -0.040 0.000 2.355 122 W HA 0.038 4.699 4.660 0.002 0.000 0.309 122 W C 2.313 178.718 176.519 -0.189 0.000 1.206 122 W CA 0.367 57.623 57.345 -0.148 0.000 1.284 122 W CB -1.546 27.756 29.460 -0.262 0.000 1.145 122 W HN 0.283 nan 8.180 nan 0.000 0.502 123 Y N 0.581 120.968 120.300 0.145 0.000 2.181 123 Y HA -0.140 4.411 4.550 0.001 0.000 0.288 123 Y C 2.706 178.707 175.900 0.168 0.000 1.146 123 Y CA 2.096 60.218 58.100 0.036 0.000 1.164 123 Y CB -1.431 37.000 38.460 -0.048 0.000 0.982 123 Y HN -0.084 nan 8.280 nan 0.000 0.515 124 A N 0.063 123.043 122.820 0.267 0.000 1.908 124 A HA -0.289 4.032 4.320 0.001 0.000 0.218 124 A C 2.156 179.832 177.584 0.152 0.000 1.181 124 A CA 1.965 54.119 52.037 0.196 0.000 0.627 124 A CB -0.823 18.264 19.000 0.144 0.000 0.818 124 A HN 0.550 nan 8.150 nan 0.000 0.445 125 E N -0.473 119.804 120.200 0.128 0.000 2.204 125 E HA -0.160 4.191 4.350 0.001 0.000 0.195 125 E C 1.535 178.160 176.600 0.041 0.000 0.990 125 E CA 0.881 57.325 56.400 0.074 0.000 0.821 125 E CB -0.011 29.724 29.700 0.058 0.000 0.750 125 E HN 0.593 nan 8.360 nan 0.000 0.477 126 R N -1.305 119.243 120.500 0.080 0.000 2.468 126 R HA 0.177 4.518 4.340 0.001 0.000 0.280 126 R C 0.742 177.037 176.300 -0.008 0.000 0.963 126 R CA 0.453 56.545 56.100 -0.014 0.000 1.083 126 R CB 1.000 31.306 30.300 0.009 0.000 1.200 126 R HN 0.228 nan 8.270 nan 0.000 0.541 127 G N 0.449 109.309 108.800 0.099 0.000 2.143 127 G HA2 -0.321 3.640 3.960 0.001 0.000 0.248 127 G HA3 -0.321 3.640 3.960 0.001 0.000 0.248 127 G C -0.253 174.710 174.900 0.106 0.000 0.991 127 G CA -0.132 45.007 45.100 0.064 0.000 0.689 127 G HN 0.257 nan 8.290 nan 0.000 0.522 128 Y N 0.389 120.778 120.300 0.148 0.000 2.326 128 Y HA 0.560 5.110 4.550 0.001 0.000 0.333 128 Y C 1.019 177.035 175.900 0.193 0.000 1.240 128 Y CA -0.126 58.114 58.100 0.233 0.000 1.365 128 Y CB 0.743 39.428 38.460 0.375 0.000 1.289 128 Y HN -0.084 nan 8.280 nan 0.000 0.548 129 K N 1.455 122.074 120.400 0.365 0.000 2.156 129 K HA 0.605 4.926 4.320 0.001 0.000 0.254 129 K C -1.233 175.536 176.600 0.282 0.000 0.950 129 K CA -0.782 55.682 56.287 0.295 0.000 0.849 129 K CB 2.009 34.669 32.500 0.267 0.000 1.100 129 K HN 0.357 nan 8.250 nan 0.000 0.434 130 V N 3.111 123.105 119.914 0.132 0.000 2.540 130 V HA 0.432 4.553 4.120 0.001 0.000 0.302 130 V C -0.185 175.918 176.094 0.014 0.000 1.035 130 V CA -0.868 61.394 62.300 -0.064 0.000 0.873 130 V CB 1.777 33.494 31.823 -0.178 0.000 0.992 130 V HN 0.720 nan 8.190 nan 0.000 0.428 131 M N 6.216 125.788 119.600 -0.047 0.000 2.149 131 M HA 0.563 5.044 4.480 0.001 0.000 0.342 131 M C -1.613 174.748 176.300 0.103 0.000 1.068 131 M CA -0.533 54.827 55.300 0.099 0.000 0.991 131 M CB 1.055 33.794 32.600 0.232 0.000 1.596 131 M HN 0.533 nan 8.290 nan 0.000 0.439 132 L N 4.437 125.796 121.223 0.228 0.000 2.290 132 L HA 0.312 4.653 4.340 0.001 0.000 0.284 132 L C -0.417 176.725 176.870 0.452 0.000 1.078 132 L CA -0.421 54.601 54.840 0.303 0.000 0.815 132 L CB 0.847 43.098 42.059 0.319 0.000 1.162 132 L HN 0.660 nan 8.230 nan 0.000 0.435 133 D N 4.663 125.276 120.400 0.355 0.000 2.414 133 D HA 0.211 4.852 4.640 0.001 0.000 0.232 133 D C -0.339 176.181 176.300 0.367 0.000 1.070 133 D CA -0.603 53.640 54.000 0.405 0.000 0.839 133 D CB 1.361 42.380 40.800 0.364 0.000 1.079 133 D HN 0.257 nan 8.370 nan 0.000 0.521 134 M N 4.619 124.480 119.600 0.435 0.000 2.685 134 M HA 0.168 4.649 4.480 0.001 0.000 0.316 134 M C -1.116 175.362 176.300 0.297 0.000 1.523 134 M CA -0.001 55.435 55.300 0.226 0.000 1.472 134 M CB -0.419 32.256 32.600 0.124 0.000 1.525 134 M HN 0.419 nan 8.290 nan 0.000 0.471 135 H N 3.044 122.212 119.070 0.162 0.000 2.502 135 H HA 0.592 5.149 4.556 0.001 0.000 0.327 135 H C -0.838 174.562 175.328 0.120 0.000 1.099 135 H CA -0.083 56.065 56.048 0.167 0.000 1.323 135 H CB 0.763 30.604 29.762 0.132 0.000 1.450 135 H HN 0.690 nan 8.280 nan 0.000 0.502 136 Q N 2.570 122.306 119.800 -0.108 0.000 2.377 136 Q HA 0.426 4.767 4.340 0.001 0.000 0.279 136 Q C -1.982 174.014 176.000 -0.007 0.000 1.049 136 Q CA -0.948 54.856 55.803 0.002 0.000 0.825 136 Q CB 2.114 30.856 28.738 0.007 0.000 1.401 136 Q HN 0.539 nan 8.270 nan 0.000 0.404 137 D N 1.546 121.980 120.400 0.056 0.000 2.896 137 D HA 0.355 4.995 4.640 0.001 0.000 0.241 137 D C -0.396 175.893 176.300 -0.019 0.000 1.188 137 D CA -0.579 53.482 54.000 0.103 0.000 0.879 137 D CB 2.306 43.085 40.800 -0.035 0.000 1.553 137 D HN 0.630 nan 8.370 nan 0.000 0.515 138 V N 2.429 122.245 119.914 -0.164 0.000 5.117 138 V HA -0.390 3.731 4.120 0.001 0.000 0.285 138 V C 0.773 176.898 176.094 0.053 0.000 0.490 138 V CA 1.511 63.614 62.300 -0.328 0.000 0.728 138 V CB -2.976 28.607 31.823 -0.400 0.000 0.597 138 V HN 0.957 nan 8.190 nan 0.000 1.265 139 Y N -1.407 118.895 120.300 0.003 0.000 2.740 139 Y HA -0.401 4.150 4.550 0.001 0.000 0.482 139 Y C 0.850 176.582 175.900 -0.280 0.000 1.156 139 Y CA 2.826 60.703 58.100 -0.372 0.000 2.839 139 Y CB -1.114 36.820 38.460 -0.876 0.000 0.979 139 Y HN 1.399 nan 8.280 nan 0.000 0.561 140 S N -1.004 114.579 115.700 -0.194 0.000 2.552 140 S HA 0.515 4.986 4.470 0.001 0.000 0.272 140 S C 0.559 175.049 174.600 -0.183 0.000 1.150 140 S CA -0.098 57.949 58.200 -0.255 0.000 0.849 140 S CB 0.939 63.991 63.200 -0.247 0.000 1.113 140 S HN 1.049 nan 8.310 nan 0.000 0.458 141 G N 1.672 110.353 108.800 -0.198 0.000 2.462 141 G HA2 -0.006 3.955 3.960 0.001 0.000 0.220 141 G HA3 -0.006 3.955 3.960 0.001 0.000 0.220 141 G C 1.243 176.047 174.900 -0.159 0.000 1.121 141 G CA 0.916 45.911 45.100 -0.175 0.000 0.758 141 G HN 1.209 nan 8.290 nan 0.000 0.559 142 A N 0.848 123.569 122.820 -0.165 0.000 2.255 142 A HA 0.253 4.573 4.320 0.001 0.000 0.206 142 A C 2.110 179.626 177.584 -0.114 0.000 1.193 142 A CA 0.720 52.669 52.037 -0.146 0.000 0.794 142 A CB -0.559 18.333 19.000 -0.180 0.000 0.794 142 A HN 0.707 nan 8.150 nan 0.000 0.481 143 I N -2.711 117.796 120.570 -0.104 0.000 3.111 143 I HA 0.062 4.233 4.170 0.001 0.000 0.272 143 I C 0.786 176.871 176.117 -0.053 0.000 1.268 143 I CA 0.977 62.234 61.300 -0.071 0.000 1.467 143 I CB -0.494 37.472 38.000 -0.057 0.000 1.087 143 I HN 0.262 nan 8.210 nan 0.000 0.467 156 I N 0.888 121.302 120.570 -0.260 0.000 2.899 156 I HA 0.246 4.417 4.170 0.001 0.000 0.257 156 I C 1.674 177.601 176.117 -0.317 0.000 1.115 156 I CA 1.667 62.750 61.300 -0.362 0.000 1.451 156 I CB -1.116 36.494 38.000 -0.651 0.000 1.251 156 I HN 0.452 nan 8.210 nan 0.000 0.456 157 G N 1.341 109.979 108.800 -0.270 0.000 2.522 157 G HA2 0.436 4.397 3.960 0.001 0.000 0.304 157 G HA3 0.436 4.397 3.960 0.001 0.000 0.304 157 G C -0.749 174.042 174.900 -0.182 0.000 1.210 157 G CA -0.230 44.744 45.100 -0.210 0.000 0.960 157 G HN 0.537 nan 8.290 nan 0.000 0.497 158 N N -2.306 116.304 118.700 -0.149 0.000 2.598 158 N HA 0.636 5.377 4.740 0.001 0.000 0.263 158 N C 0.159 175.593 175.510 -0.126 0.000 1.254 158 N CA 0.098 53.070 53.050 -0.130 0.000 0.863 158 N CB 1.759 40.195 38.487 -0.084 0.000 1.586 158 N HN 1.315 nan 8.380 nan 0.000 0.491 159 G N 0.040 108.747 108.800 -0.155 0.000 2.169 159 G HA2 0.263 4.223 3.960 0.001 0.000 0.173 159 G HA3 0.263 4.223 3.960 0.001 0.000 0.173 159 G C -0.356 174.403 174.900 -0.235 0.000 2.429 159 G CA 0.078 45.094 45.100 -0.139 0.000 1.467 159 G HN 1.198 nan 8.290 nan 0.000 0.454 160 A N 3.303 125.834 122.820 -0.481 0.000 2.407 160 A HA 0.688 5.009 4.320 0.001 0.000 0.248 160 A C -1.694 175.402 177.584 -0.814 0.000 1.082 160 A CA -0.256 51.332 52.037 -0.750 0.000 0.785 160 A CB 0.022 18.306 19.000 -1.194 0.000 1.020 160 A HN 0.447 nan 8.150 nan 0.000 0.489 161 P HA 0.186 nan 4.420 nan 0.000 0.272 161 P C 0.705 177.481 177.300 -0.873 0.000 1.230 161 P CA 0.449 62.976 63.100 -0.955 0.000 0.788 161 P CB 0.931 31.899 31.700 -1.219 0.000 0.949 162 A N 3.244 125.748 122.820 -0.527 0.000 1.940 162 A HA -0.166 4.155 4.320 0.001 0.000 0.219 162 A C 2.020 179.359 177.584 -0.408 0.000 1.176 162 A CA 1.600 53.408 52.037 -0.380 0.000 0.631 162 A CB -1.774 17.094 19.000 -0.220 0.000 0.814 162 A HN 0.840 nan 8.150 nan 0.000 0.446 163 W N -1.186 119.905 121.300 -0.347 0.000 2.421 163 W HA 0.130 4.791 4.660 0.002 0.000 0.270 163 W C 1.435 177.685 176.519 -0.448 0.000 1.233 163 W CA 0.873 58.005 57.345 -0.354 0.000 1.226 163 W CB -0.625 28.680 29.460 -0.258 0.000 1.121 163 W HN 0.399 nan 8.180 nan 0.000 0.579 164 A N 0.996 123.195 122.820 -1.035 0.000 2.307 164 A HA 0.208 4.529 4.320 0.001 0.000 0.218 164 A C 0.426 177.771 177.584 -0.398 0.000 1.228 164 A CA 0.362 51.904 52.037 -0.825 0.000 0.857 164 A CB -0.542 17.517 19.000 -1.568 0.000 0.897 164 A HN 0.064 nan 8.150 nan 0.000 0.495 165 T N 0.650 114.884 114.554 -0.533 0.000 2.801 165 T HA 0.466 4.817 4.350 0.001 0.000 0.306 165 T C -1.271 173.110 174.700 -0.531 0.000 1.020 165 T CA 0.118 62.025 62.100 -0.322 0.000 0.948 165 T CB -0.117 68.625 68.868 -0.211 0.000 0.962 165 T HN 0.240 nan 8.240 nan 0.000 0.465 166 Y N 3.021 123.179 120.300 -0.237 0.000 2.712 166 Y HA 0.352 4.903 4.550 0.001 0.000 0.328 166 Y C 1.189 177.011 175.900 -0.131 0.000 0.995 166 Y CA -0.813 57.184 58.100 -0.171 0.000 1.283 166 Y CB 0.747 39.061 38.460 -0.244 0.000 1.092 166 Y HN 0.582 nan 8.280 nan 0.000 0.519 167 M N 0.489 120.092 119.600 0.004 0.000 2.502 167 M HA 0.022 4.502 4.480 0.001 0.000 0.243 167 M C -0.110 176.222 176.300 0.053 0.000 1.130 167 M CA 0.458 55.762 55.300 0.008 0.000 1.055 167 M CB 0.206 32.795 32.600 -0.019 0.000 1.457 167 M HN 0.533 nan 8.290 nan 0.000 0.488 168 D N 1.075 121.528 120.400 0.089 0.000 2.811 168 D HA -0.177 4.464 4.640 0.001 0.000 0.231 168 D C 1.034 177.370 176.300 0.061 0.000 1.157 168 D CA 1.351 55.408 54.000 0.095 0.000 0.716 168 D CB -1.833 39.027 40.800 0.101 0.000 1.077 168 D HN 0.708 nan 8.370 nan 0.000 0.428 169 G N -1.368 107.459 108.800 0.045 0.000 2.184 169 G HA2 -0.346 3.615 3.960 0.001 0.000 0.264 169 G HA3 -0.346 3.615 3.960 0.001 0.000 0.264 169 G C 0.386 175.304 174.900 0.031 0.000 0.975 169 G CA 0.448 45.567 45.100 0.033 0.000 0.642 169 G HN 0.513 nan 8.290 nan 0.000 0.536 170 L N 2.247 123.491 121.223 0.035 0.000 2.417 170 L HA 0.395 4.736 4.340 0.001 0.000 0.268 170 L C -1.122 175.768 176.870 0.034 0.000 1.158 170 L CA -1.921 52.941 54.840 0.036 0.000 0.819 170 L CB 0.646 42.732 42.059 0.045 0.000 1.112 170 L HN -0.002 nan 8.230 nan 0.000 0.458 171 P HA 0.079 nan 4.420 nan 0.000 0.271 171 P C -0.907 176.419 177.300 0.045 0.000 1.218 171 P CA -0.184 62.936 63.100 0.032 0.000 0.780 171 P CB 1.266 32.980 31.700 0.024 0.000 0.901 172 V N 2.591 122.538 119.914 0.055 0.000 2.383 172 V HA 0.157 4.278 4.120 0.001 0.000 0.264 172 V C 0.246 176.400 176.094 0.099 0.000 1.001 172 V CA -0.500 61.855 62.300 0.093 0.000 0.828 172 V CB 0.718 32.617 31.823 0.126 0.000 1.069 172 V HN 0.470 nan 8.190 nan 0.000 0.451 173 E N 3.648 123.869 120.200 0.035 0.000 2.349 173 E HA 0.375 4.726 4.350 0.001 0.000 0.265 173 E C -2.459 174.117 176.600 -0.039 0.000 1.064 173 E CA -2.168 54.239 56.400 0.013 0.000 0.886 173 E CB 1.069 30.759 29.700 -0.016 0.000 1.036 173 E HN 0.279 nan 8.360 nan 0.000 0.413 174 P HA -0.029 nan 4.420 nan 0.000 0.264 174 P C -0.477 176.702 177.300 -0.202 0.000 1.183 174 P CA 0.472 63.570 63.100 -0.003 0.000 0.763 174 P CB 0.509 32.245 31.700 0.060 0.000 0.807 175 Q N 3.684 123.246 119.800 -0.396 0.000 2.387 175 Q HA 0.314 4.655 4.340 0.001 0.000 0.273 175 Q C -1.618 174.306 176.000 -0.126 0.000 1.089 175 Q CA -1.832 53.756 55.803 -0.357 0.000 0.824 175 Q CB 0.967 29.321 28.738 -0.639 0.000 1.367 175 Q HN 0.306 nan 8.270 nan 0.000 0.443 176 P HA 0.031 nan 4.420 nan 0.000 0.229 176 P C -0.350 176.962 177.300 0.022 0.000 1.160 176 P CA 0.686 63.779 63.100 -0.011 0.000 0.777 176 P CB 0.851 32.537 31.700 -0.023 0.000 0.814 177 R N -0.395 120.103 120.500 -0.003 0.000 2.621 177 R HA 0.180 4.520 4.340 0.001 0.000 0.284 177 R C 1.145 177.478 176.300 0.055 0.000 0.998 177 R CA -0.798 55.310 56.100 0.014 0.000 0.895 177 R CB 1.154 31.402 30.300 -0.085 0.000 1.195 177 R HN 0.067 nan 8.270 nan 0.000 0.450 178 W N 2.993 124.363 121.300 0.117 0.000 2.350 178 W HA -0.151 4.510 4.660 0.001 0.000 0.289 178 W C 0.187 176.807 176.519 0.168 0.000 1.215 178 W CA 1.222 58.690 57.345 0.203 0.000 1.236 178 W CB -0.193 29.291 29.460 0.040 0.000 1.130 178 W HN 0.609 nan 8.180 nan 0.000 0.541 179 E N 1.343 121.009 120.200 -0.889 0.000 2.204 179 E HA -0.141 4.210 4.350 0.001 0.000 0.195 179 E C 2.255 178.721 176.600 -0.222 0.000 0.990 179 E CA 1.684 57.589 56.400 -0.826 0.000 0.821 179 E CB -0.693 28.477 29.700 -0.882 0.000 0.750 179 E HN 0.318 nan 8.360 nan 0.000 0.477 180 L N -0.398 120.722 121.223 -0.172 0.000 2.465 180 L HA -0.100 4.241 4.340 0.001 0.000 0.224 180 L C 1.442 178.246 176.870 -0.111 0.000 1.145 180 L CA 0.525 55.288 54.840 -0.128 0.000 0.834 180 L CB -0.246 41.710 42.059 -0.171 0.000 0.944 180 L HN 0.209 nan 8.230 nan 0.000 0.451 181 Y N -1.597 118.667 120.300 -0.061 0.000 2.333 181 Y HA -0.264 4.286 4.550 0.001 0.000 0.290 181 Y C 2.275 178.140 175.900 -0.058 0.000 1.144 181 Y CA 1.332 59.402 58.100 -0.050 0.000 1.228 181 Y CB -0.471 37.959 38.460 -0.050 0.000 0.985 181 Y HN 0.057 nan 8.280 nan 0.000 0.542 182 Y N 0.046 120.337 120.300 -0.016 0.000 2.241 182 Y HA -0.244 4.306 4.550 0.001 0.000 0.286 182 Y C 2.139 177.985 175.900 -0.089 0.000 1.166 182 Y CA 1.616 59.556 58.100 -0.268 0.000 1.203 182 Y CB -0.552 37.450 38.460 -0.762 0.000 0.977 182 Y HN 0.248 nan 8.280 nan 0.000 0.529 183 I N -2.288 118.367 120.570 0.141 0.000 3.883 183 I HA 0.153 4.324 4.170 0.001 0.000 0.326 183 I C 0.080 176.263 176.117 0.110 0.000 1.283 183 I CA -0.231 61.164 61.300 0.159 0.000 1.161 183 I CB -0.142 37.920 38.000 0.103 0.000 1.012 183 I HN -0.157 nan 8.210 nan 0.000 0.421 184 Q N 2.213 122.068 119.800 0.093 0.000 2.392 184 Q HA 0.201 4.542 4.340 0.001 0.000 0.262 184 Q C -1.575 174.485 176.000 0.100 0.000 1.003 184 Q CA -1.893 53.951 55.803 0.068 0.000 0.888 184 Q CB 0.587 29.357 28.738 0.054 0.000 1.260 184 Q HN 0.063 nan 8.270 nan 0.000 0.435 185 P HA -0.182 nan 4.420 nan 0.000 0.215 185 P C 1.073 178.425 177.300 0.086 0.000 1.157 185 P CA 1.942 65.088 63.100 0.076 0.000 0.874 185 P CB 0.162 31.893 31.700 0.052 0.000 0.790 186 G N -0.784 108.060 108.800 0.074 0.000 2.408 186 G HA2 -0.191 3.769 3.960 0.001 0.000 0.217 186 G HA3 -0.191 3.769 3.960 0.001 0.000 0.217 186 G C 1.570 176.507 174.900 0.062 0.000 1.150 186 G CA 0.615 45.750 45.100 0.057 0.000 0.776 186 G HN 0.173 nan 8.290 nan 0.000 0.542 187 V N 1.274 121.257 119.914 0.116 0.000 2.323 187 V HA -0.108 4.013 4.120 0.001 0.000 0.244 187 V C 2.928 179.223 176.094 0.335 0.000 1.041 187 V CA 1.469 63.876 62.300 0.178 0.000 1.025 187 V CB -0.326 31.636 31.823 0.231 0.000 0.656 187 V HN 0.260 nan 8.190 nan 0.000 0.451 188 M N -0.072 119.725 119.600 0.328 0.000 2.149 188 M HA -0.192 4.289 4.480 0.001 0.000 0.261 188 M C 2.352 178.803 176.300 0.251 0.000 1.064 188 M CA 1.803 57.315 55.300 0.353 0.000 1.102 188 M CB -1.193 31.546 32.600 0.232 0.000 1.369 188 M HN 0.283 nan 8.290 nan 0.000 0.408 189 R N 0.924 121.514 120.500 0.150 0.000 2.075 189 R HA 0.033 4.374 4.340 0.001 0.000 0.232 189 R C 2.139 178.460 176.300 0.035 0.000 1.126 189 R CA 1.911 58.070 56.100 0.098 0.000 0.963 189 R CB -0.909 29.436 30.300 0.074 0.000 0.858 189 R HN 0.297 nan 8.270 nan 0.000 0.435 190 A N -0.296 122.473 122.820 -0.086 0.000 1.908 190 A HA -0.140 4.181 4.320 0.001 0.000 0.218 190 A C 2.115 179.358 177.584 -0.568 0.000 1.181 190 A CA 1.638 53.417 52.037 -0.429 0.000 0.627 190 A CB -0.848 17.732 19.000 -0.701 0.000 0.818 190 A HN 0.383 nan 8.150 nan 0.000 0.445 191 F N 0.417 120.241 119.950 -0.210 0.000 2.146 191 F HA -0.118 4.410 4.527 0.001 0.000 0.298 191 F C 2.113 178.026 175.800 0.189 0.000 1.096 191 F CA 1.654 59.668 58.000 0.024 0.000 1.275 191 F CB -0.382 38.813 39.000 0.325 0.000 1.008 191 F HN 0.187 nan 8.300 nan 0.000 0.480 192 D N -0.157 120.447 120.400 0.341 0.000 2.149 192 D HA -0.163 4.477 4.640 0.001 0.000 0.198 192 D C 1.942 178.380 176.300 0.230 0.000 0.990 192 D CA 0.993 55.161 54.000 0.280 0.000 0.839 192 D CB -0.444 40.463 40.800 0.178 0.000 0.948 192 D HN 0.192 nan 8.370 nan 0.000 0.460 193 N N -0.035 118.758 118.700 0.155 0.000 2.106 193 N HA -0.126 4.614 4.740 0.001 0.000 0.188 193 N C 1.712 177.306 175.510 0.140 0.000 1.029 193 N CA 0.336 53.477 53.050 0.151 0.000 0.848 193 N CB -0.531 38.008 38.487 0.088 0.000 1.007 193 N HN 0.192 nan 8.380 nan 0.000 0.423 194 F N 0.378 120.285 119.950 -0.071 0.000 2.095 194 F HA -0.167 4.361 4.527 0.002 0.000 0.298 194 F C 1.578 177.313 175.800 -0.110 0.000 1.104 194 F CA 1.499 59.429 58.000 -0.117 0.000 1.232 194 F CB -0.522 38.330 39.000 -0.247 0.000 0.987 194 F HN 0.052 nan 8.300 nan 0.000 0.475 195 W N 0.339 121.759 121.300 0.201 0.000 3.077 195 W HA 0.052 4.712 4.660 0.001 0.000 0.245 195 W C 1.029 177.565 176.519 0.028 0.000 1.316 195 W CA 0.424 57.819 57.345 0.083 0.000 1.537 195 W CB -0.649 28.951 29.460 0.233 0.000 1.131 195 W HN 0.125 nan 8.180 nan 0.000 0.695 196 N N -0.254 118.563 118.700 0.195 0.000 2.714 196 N HA -0.221 4.520 4.740 0.001 0.000 0.250 196 N C 0.624 176.223 175.510 0.148 0.000 1.117 196 N CA 1.555 54.693 53.050 0.145 0.000 0.719 196 N CB -1.322 37.221 38.487 0.094 0.000 1.081 196 N HN 0.049 nan 8.380 nan 0.000 0.557 197 T N -1.946 112.724 114.554 0.193 0.000 2.833 197 T HA -0.161 4.190 4.350 0.001 0.000 0.269 197 T C 1.819 176.577 174.700 0.096 0.000 1.054 197 T CA 2.035 64.219 62.100 0.140 0.000 1.135 197 T CB -0.441 68.518 68.868 0.152 0.000 0.869 197 T HN 0.679 nan 8.240 nan 0.000 0.466 198 T N -1.001 113.615 114.554 0.102 0.000 3.055 198 T HA 0.271 4.622 4.350 0.001 0.000 0.265 198 T C 1.982 176.704 174.700 0.037 0.000 1.111 198 T CA 1.007 63.149 62.100 0.069 0.000 1.118 198 T CB -0.438 68.480 68.868 0.083 0.000 0.909 198 T HN 0.531 nan 8.240 nan 0.000 0.501 199 G N 1.599 110.423 108.800 0.039 0.000 2.184 199 G HA2 -0.300 3.661 3.960 0.001 0.000 0.264 199 G HA3 -0.300 3.661 3.960 0.001 0.000 0.264 199 G C 0.844 175.718 174.900 -0.043 0.000 0.975 199 G CA 0.535 45.640 45.100 0.008 0.000 0.642 199 G HN 0.580 nan 8.290 nan 0.000 0.536 200 K N -0.359 119.992 120.400 -0.080 0.000 2.361 200 K HA 0.144 4.465 4.320 0.001 0.000 0.194 200 K C 0.298 176.555 176.600 -0.571 0.000 1.032 200 K CA 0.281 56.396 56.287 -0.287 0.000 1.048 200 K CB 0.343 32.661 32.500 -0.303 0.000 0.842 200 K HN 0.536 nan 8.250 nan 0.000 0.526 201 H N 0.475 119.508 119.070 -0.063 0.000 2.597 201 H HA 0.134 4.691 4.556 0.001 0.000 0.225 201 H C -2.153 173.178 175.328 0.005 0.000 1.422 201 H CA -1.472 54.542 56.048 -0.058 0.000 1.335 201 H CB 1.104 30.799 29.762 -0.112 0.000 1.783 201 H HN -0.005 nan 8.280 nan 0.000 0.513 202 P HA -0.167 nan 4.420 nan 0.000 0.222 202 P C 1.493 178.863 177.300 0.117 0.000 1.147 202 P CA 1.032 64.178 63.100 0.075 0.000 0.790 202 P CB 0.440 32.169 31.700 0.049 0.000 0.780 203 E N 0.800 121.114 120.200 0.190 0.000 2.268 203 E HA -0.119 4.232 4.350 0.001 0.000 0.195 203 E C 2.018 178.874 176.600 0.427 0.000 0.995 203 E CA 0.704 57.284 56.400 0.300 0.000 0.836 203 E CB -1.215 28.717 29.700 0.387 0.000 0.763 203 E HN 0.285 nan 8.360 nan 0.000 0.491 204 L N 0.728 122.149 121.223 0.330 0.000 2.027 204 L HA -0.130 4.211 4.340 0.001 0.000 0.206 204 L C 2.745 179.727 176.870 0.188 0.000 1.074 204 L CA 1.002 56.069 54.840 0.377 0.000 0.745 204 L CB -0.381 41.832 42.059 0.257 0.000 0.898 204 L HN -0.001 nan 8.230 nan 0.000 0.433 205 V N -0.382 119.434 119.914 -0.164 0.000 2.490 205 V HA -0.219 3.901 4.120 0.001 0.000 0.250 205 V C 2.522 178.691 176.094 0.126 0.000 1.061 205 V CA 1.454 63.653 62.300 -0.169 0.000 1.064 205 V CB -0.466 31.234 31.823 -0.205 0.000 0.670 205 V HN 0.428 nan 8.190 nan 0.000 0.461 206 E N -0.747 119.548 120.200 0.157 0.000 2.077 206 E HA -0.194 4.157 4.350 0.001 0.000 0.193 206 E C 2.183 178.910 176.600 0.210 0.000 0.989 206 E CA 1.221 57.712 56.400 0.151 0.000 0.800 206 E CB -0.422 29.333 29.700 0.091 0.000 0.746 206 E HN 0.679 nan 8.360 nan 0.000 0.452 207 H N -0.657 118.619 119.070 0.343 0.000 2.352 207 H HA -0.152 4.405 4.556 0.002 0.000 0.299 207 H C 2.062 177.641 175.328 0.418 0.000 1.097 207 H CA 1.493 57.841 56.048 0.499 0.000 1.311 207 H CB -0.309 29.950 29.762 0.828 0.000 1.377 207 H HN 0.229 nan 8.280 nan 0.000 0.504 208 Y N 1.155 121.573 120.300 0.196 0.000 2.128 208 Y HA -0.234 4.317 4.550 0.001 0.000 0.284 208 Y C 2.734 178.632 175.900 -0.003 0.000 1.154 208 Y CA 1.569 59.497 58.100 -0.287 0.000 1.149 208 Y CB -0.383 37.875 38.460 -0.336 0.000 0.976 208 Y HN 0.162 nan 8.280 nan 0.000 0.505 209 A N 0.153 123.128 122.820 0.259 0.000 1.908 209 A HA -0.225 4.095 4.320 0.001 0.000 0.218 209 A C 2.171 179.847 177.584 0.154 0.000 1.181 209 A CA 2.131 54.301 52.037 0.223 0.000 0.627 209 A CB -0.559 18.559 19.000 0.197 0.000 0.818 209 A HN 0.522 nan 8.150 nan 0.000 0.445 210 K N -0.458 120.036 120.400 0.156 0.000 2.217 210 K HA 0.103 4.424 4.320 0.001 0.000 0.202 210 K C 2.205 178.827 176.600 0.037 0.000 1.051 210 K CA 0.755 57.122 56.287 0.133 0.000 0.952 210 K CB -0.215 32.409 32.500 0.207 0.000 0.736 210 K HN 0.445 nan 8.250 nan 0.000 0.453 211 A N 0.596 123.476 122.820 0.099 0.000 1.898 211 A HA -0.158 4.163 4.320 0.001 0.000 0.216 211 A C 1.804 179.243 177.584 -0.240 0.000 1.181 211 A CA 0.967 52.983 52.037 -0.035 0.000 0.620 211 A CB -0.815 18.229 19.000 0.073 0.000 0.819 211 A HN 0.453 nan 8.150 nan 0.000 0.442 212 W N -0.202 120.930 121.300 -0.280 0.000 2.358 212 W HA -0.143 4.518 4.660 0.001 0.000 0.303 212 W C 2.635 179.003 176.519 -0.251 0.000 1.208 212 W CA 1.589 58.764 57.345 -0.283 0.000 1.274 212 W CB -0.008 29.295 29.460 -0.262 0.000 1.138 212 W HN 0.304 nan 8.180 nan 0.000 0.515 213 R N 0.398 120.941 120.500 0.071 0.000 2.091 213 R HA -0.197 4.144 4.340 0.001 0.000 0.238 213 R C 2.202 178.447 176.300 -0.092 0.000 1.136 213 R CA 1.782 57.880 56.100 -0.002 0.000 0.959 213 R CB -0.595 29.703 30.300 -0.002 0.000 0.856 213 R HN 0.145 nan 8.270 nan 0.000 0.437 214 A N 0.111 122.771 122.820 -0.268 0.000 1.902 214 A HA -0.115 4.206 4.320 0.001 0.000 0.217 214 A C 2.252 179.747 177.584 -0.148 0.000 1.181 214 A CA 1.654 53.479 52.037 -0.353 0.000 0.623 214 A CB -0.548 17.926 19.000 -0.877 0.000 0.818 214 A HN 0.229 nan 8.150 nan 0.000 0.443 215 V N -0.161 119.690 119.914 -0.106 0.000 2.295 215 V HA -0.247 3.874 4.120 0.001 0.000 0.246 215 V C 3.057 179.244 176.094 0.156 0.000 1.049 215 V CA 1.980 64.304 62.300 0.040 0.000 1.024 215 V CB -1.265 30.486 31.823 -0.119 0.000 0.648 215 V HN 0.613 nan 8.190 nan 0.000 0.447 216 A N -0.220 122.621 122.820 0.034 0.000 1.972 216 A HA -0.284 4.037 4.320 0.001 0.000 0.219 216 A C 2.053 179.725 177.584 0.147 0.000 1.169 216 A CA 2.033 54.110 52.037 0.066 0.000 0.635 216 A CB -0.647 18.342 19.000 -0.019 0.000 0.810 216 A HN 0.565 nan 8.150 nan 0.000 0.446 217 D N -0.547 119.885 120.400 0.053 0.000 2.144 217 D HA -0.166 4.474 4.640 0.001 0.000 0.199 217 D C 2.098 178.388 176.300 -0.016 0.000 0.984 217 D CA 1.291 55.303 54.000 0.020 0.000 0.834 217 D CB -0.097 40.692 40.800 -0.018 0.000 0.955 217 D HN 0.313 nan 8.370 nan 0.000 0.465 218 R N -0.791 119.665 120.500 -0.072 0.000 2.092 218 R HA 0.004 4.345 4.340 0.001 0.000 0.231 218 R C 1.489 177.539 176.300 -0.417 0.000 1.119 218 R CA 1.245 57.164 56.100 -0.300 0.000 0.970 218 R CB -0.673 29.332 30.300 -0.493 0.000 0.864 218 R HN 0.192 nan 8.270 nan 0.000 0.440 219 F N -0.449 119.563 119.950 0.103 0.000 2.678 219 F HA 0.435 4.963 4.527 0.001 0.000 0.305 219 F C 1.807 177.712 175.800 0.175 0.000 1.090 219 F CA 0.186 58.277 58.000 0.152 0.000 1.272 219 F CB 0.031 39.176 39.000 0.241 0.000 1.060 219 F HN 0.093 nan 8.300 nan 0.000 0.576 220 A N -0.124 122.854 122.820 0.264 0.000 1.948 220 A HA -0.195 4.125 4.320 0.001 0.000 0.220 220 A C 1.555 179.222 177.584 0.139 0.000 1.177 220 A CA 2.130 54.290 52.037 0.206 0.000 0.636 220 A CB -0.473 18.610 19.000 0.138 0.000 0.815 220 A HN 0.196 nan 8.150 nan 0.000 0.449 221 D N -0.355 120.104 120.400 0.099 0.000 2.358 221 D HA 0.053 4.694 4.640 0.001 0.000 0.224 221 D C -0.155 176.196 176.300 0.085 0.000 1.123 221 D CA -0.076 53.968 54.000 0.072 0.000 0.833 221 D CB -0.218 40.605 40.800 0.038 0.000 0.946 221 D HN 0.276 nan 8.370 nan 0.000 0.505 222 N N 1.633 120.416 118.700 0.138 0.000 2.420 222 N HA -0.003 4.738 4.740 0.001 0.000 0.249 222 N C 0.393 175.986 175.510 0.138 0.000 1.033 222 N CA -0.152 52.995 53.050 0.162 0.000 0.944 222 N CB 1.142 39.813 38.487 0.307 0.000 1.113 222 N HN -0.156 nan 8.380 nan 0.000 0.502 223 D N 2.716 123.180 120.400 0.107 0.000 2.309 223 D HA -0.085 4.556 4.640 0.001 0.000 0.212 223 D C 1.289 177.652 176.300 0.104 0.000 0.968 223 D CA 0.662 54.719 54.000 0.094 0.000 0.882 223 D CB 0.260 41.106 40.800 0.078 0.000 0.918 223 D HN 0.654 nan 8.370 nan 0.000 0.503 224 A N 0.237 123.127 122.820 0.117 0.000 2.081 224 A HA 0.079 4.400 4.320 0.001 0.000 0.214 224 A C 1.171 178.817 177.584 0.103 0.000 1.158 224 A CA 0.053 52.164 52.037 0.124 0.000 0.724 224 A CB 0.310 19.393 19.000 0.138 0.000 0.826 224 A HN 0.045 nan 8.150 nan 0.000 0.463 225 V N 1.387 121.354 119.914 0.088 0.000 2.461 225 V HA 0.220 4.341 4.120 0.001 0.000 0.275 225 V C 1.261 177.371 176.094 0.027 0.000 1.047 225 V CA 0.471 62.792 62.300 0.035 0.000 0.955 225 V CB 1.273 33.120 31.823 0.040 0.000 0.988 225 V HN 0.433 nan 8.190 nan 0.000 0.471 226 V N 1.796 121.730 119.914 0.033 0.000 3.612 226 V HA 0.784 4.905 4.120 0.001 0.000 0.268 226 V C 0.492 176.615 176.094 0.048 0.000 1.365 226 V CA 0.603 62.949 62.300 0.076 0.000 1.044 226 V CB 0.271 32.162 31.823 0.114 0.000 0.820 226 V HN 0.879 nan 8.190 nan 0.000 0.444 227 A N -0.481 122.307 122.820 -0.053 0.000 2.574 227 A HA 0.842 5.162 4.320 0.001 0.000 0.297 227 A C -2.009 175.512 177.584 -0.104 0.000 1.062 227 A CA -0.452 51.560 52.037 -0.040 0.000 0.686 227 A CB 1.398 20.478 19.000 0.134 0.000 1.285 227 A HN 0.261 nan 8.150 nan 0.000 0.403 228 Y N 0.979 121.329 120.300 0.083 0.000 2.326 228 Y HA 0.421 4.971 4.550 0.001 0.000 0.331 228 Y C -0.263 175.608 175.900 -0.049 0.000 0.962 228 Y CA -1.349 56.739 58.100 -0.021 0.000 1.167 228 Y CB 1.793 39.992 38.460 -0.435 0.000 1.148 228 Y HN 0.672 nan 8.280 nan 0.000 0.463 229 D N 4.124 124.714 120.400 0.317 0.000 2.411 229 D HA 0.190 4.831 4.640 0.001 0.000 0.225 229 D C 0.828 177.358 176.300 0.383 0.000 1.156 229 D CA 0.124 54.293 54.000 0.283 0.000 0.874 229 D CB 0.844 41.845 40.800 0.336 0.000 1.034 229 D HN 0.628 nan 8.370 nan 0.000 0.502 230 L N 2.731 124.073 121.223 0.197 0.000 2.083 230 L HA 0.013 4.354 4.340 0.001 0.000 0.209 230 L C 1.301 178.630 176.870 0.765 0.000 1.083 230 L CA 0.774 55.800 54.840 0.311 0.000 0.752 230 L CB -0.191 41.951 42.059 0.139 0.000 0.899 230 L HN 0.447 nan 8.230 nan 0.000 0.433 231 M N -0.312 119.658 119.600 0.616 0.000 2.255 231 M HA 0.239 4.720 4.480 0.001 0.000 0.275 231 M C -1.151 175.382 176.300 0.388 0.000 1.050 231 M CA -0.550 55.086 55.300 0.560 0.000 0.978 231 M CB 1.951 34.887 32.600 0.561 0.000 1.761 231 M HN -0.140 nan 8.290 nan 0.000 0.479 232 N N 3.507 122.374 118.700 0.278 0.000 2.483 232 N HA 0.042 4.783 4.740 0.001 0.000 0.264 232 N C -0.730 174.871 175.510 0.152 0.000 1.197 232 N CA 1.019 54.160 53.050 0.151 0.000 0.927 232 N CB 0.492 38.856 38.487 -0.205 0.000 1.065 232 N HN 0.745 nan 8.380 nan 0.000 0.461 233 E N 0.289 120.556 120.200 0.112 0.000 2.160 233 E HA -0.208 4.143 4.350 0.001 0.000 0.180 233 E C -2.064 174.674 176.600 0.230 0.000 1.452 233 E CA -0.035 56.437 56.400 0.120 0.000 0.683 233 E CB -1.243 28.551 29.700 0.157 0.000 1.072 233 E HN 0.599 nan 8.360 nan 0.000 0.332 234 P HA -0.034 nan 4.420 nan 0.000 0.264 234 P C -0.636 176.910 177.300 0.411 0.000 1.183 234 P CA 0.614 63.994 63.100 0.467 0.000 0.763 234 P CB 0.235 32.198 31.700 0.438 0.000 0.807 235 F N 2.473 122.503 119.950 0.133 0.000 2.518 235 F HA 0.578 5.105 4.527 0.001 0.000 0.323 235 F C 0.920 176.308 175.800 -0.687 0.000 1.129 235 F CA -0.424 57.315 58.000 -0.436 0.000 0.920 235 F CB 1.589 40.074 39.000 -0.858 0.000 1.160 235 F HN 0.345 nan 8.300 nan 0.000 0.440 236 G N 2.945 110.591 108.800 -1.924 0.000 3.042 236 G HA2 0.383 4.344 3.960 0.001 0.000 0.212 236 G HA3 0.383 4.344 3.960 0.001 0.000 0.212 236 G C 0.912 175.123 174.900 -1.148 0.000 1.166 236 G CA 0.371 44.099 45.100 -2.288 0.000 0.767 236 G HN 1.425 nan 8.290 nan 0.000 0.546 237 G N 0.732 108.740 108.800 -1.320 0.000 2.596 237 G HA2 -0.351 3.610 3.960 0.001 0.000 0.304 237 G HA3 -0.351 3.610 3.960 0.001 0.000 0.304 237 G C 1.721 176.380 174.900 -0.402 0.000 1.189 237 G CA 1.572 46.379 45.100 -0.489 0.000 0.986 237 G HN 1.281 nan 8.290 nan 0.000 0.548 238 S N 0.240 115.841 115.700 -0.165 0.000 2.555 238 S HA 0.371 4.842 4.470 0.001 0.000 0.230 238 S C 1.080 175.574 174.600 -0.176 0.000 0.978 238 S CA 1.032 59.158 58.200 -0.124 0.000 0.934 238 S CB -0.093 63.088 63.200 -0.032 0.000 0.766 238 S HN 0.660 nan 8.310 nan 0.000 0.533 239 L N 2.102 123.157 121.223 -0.281 0.000 2.295 239 L HA 0.546 4.887 4.340 0.001 0.000 0.285 239 L C -0.163 176.469 176.870 -0.396 0.000 1.035 239 L CA -0.432 54.249 54.840 -0.265 0.000 0.806 239 L CB 1.200 43.135 42.059 -0.208 0.000 1.214 239 L HN 0.196 nan 8.230 nan 0.000 0.426 240 Q N 2.093 121.766 119.800 -0.211 0.000 2.379 240 Q HA 0.617 4.958 4.340 0.001 0.000 0.278 240 Q C 0.043 176.016 176.000 -0.045 0.000 1.068 240 Q CA -0.167 55.529 55.803 -0.177 0.000 0.816 240 Q CB 2.660 31.280 28.738 -0.196 0.000 1.387 240 Q HN 0.799 nan 8.270 nan 0.000 0.413 241 G N 2.088 110.891 108.800 0.005 0.000 2.632 241 G HA2 -0.222 3.739 3.960 0.001 0.000 0.224 241 G HA3 -0.222 3.739 3.960 0.001 0.000 0.224 241 G C -2.069 172.832 174.900 0.001 0.000 1.341 241 G CA -0.243 44.859 45.100 0.005 0.000 0.880 241 G HN 0.464 nan 8.290 nan 0.000 0.566 242 P HA -0.051 nan 4.420 nan 0.000 0.216 242 P C 2.263 179.529 177.300 -0.057 0.000 1.150 242 P CA 3.212 66.284 63.100 -0.047 0.000 0.843 242 P CB -0.267 31.411 31.700 -0.036 0.000 0.787 243 A N -1.348 121.453 122.820 -0.032 0.000 1.948 243 A HA -0.241 4.080 4.320 0.001 0.000 0.220 243 A C 2.083 179.656 177.584 -0.019 0.000 1.177 243 A CA 1.727 53.747 52.037 -0.028 0.000 0.636 243 A CB -1.674 17.312 19.000 -0.022 0.000 0.815 243 A HN 0.189 nan 8.150 nan 0.000 0.449 244 F N 0.507 120.332 119.950 -0.207 0.000 2.123 244 F HA 0.061 4.589 4.527 0.001 0.000 0.289 244 F C 2.124 177.736 175.800 -0.313 0.000 1.099 244 F CA 1.596 59.405 58.000 -0.318 0.000 1.234 244 F CB -0.656 38.114 39.000 -0.384 0.000 1.034 244 F HN 0.329 nan 8.300 nan 0.000 0.479 245 E N 0.249 120.142 120.200 -0.512 0.000 2.077 245 E HA -0.131 4.219 4.350 0.001 0.000 0.193 245 E C 2.069 178.441 176.600 -0.379 0.000 0.989 245 E CA 1.141 57.189 56.400 -0.587 0.000 0.800 245 E CB -0.376 29.157 29.700 -0.278 0.000 0.746 245 E HN 0.439 nan 8.360 nan 0.000 0.452 246 A N 0.789 123.471 122.820 -0.230 0.000 2.218 246 A HA 0.196 4.517 4.320 0.001 0.000 0.209 246 A C 1.534 179.032 177.584 -0.144 0.000 1.168 246 A CA 0.766 52.713 52.037 -0.151 0.000 0.804 246 A CB 0.020 18.964 19.000 -0.094 0.000 0.834 246 A HN 0.271 nan 8.150 nan 0.000 0.482 247 G N 0.074 108.762 108.800 -0.186 0.000 3.226 247 G HA2 0.291 4.251 3.960 0.001 0.000 0.190 247 G HA3 0.291 4.251 3.960 0.001 0.000 0.190 247 G C -0.840 173.960 174.900 -0.167 0.000 1.988 247 G CA 0.439 45.459 45.100 -0.133 0.000 0.859 247 G HN 0.189 nan 8.290 nan 0.000 0.631 248 P HA -0.040 nan 4.420 nan 0.000 0.218 248 P C 2.070 179.206 177.300 -0.273 0.000 1.149 248 P CA 0.585 63.626 63.100 -0.099 0.000 0.817 248 P CB 0.084 31.813 31.700 0.048 0.000 0.785 249 L N 0.563 121.339 121.223 -0.744 0.000 1.976 249 L HA -0.051 4.289 4.340 0.001 0.000 0.209 249 L C 2.552 179.076 176.870 -0.576 0.000 1.071 249 L CA 2.257 56.545 54.840 -0.919 0.000 0.746 249 L CB -1.640 39.553 42.059 -1.443 0.000 0.890 249 L HN -0.080 nan 8.230 nan 0.000 0.432 250 A N -0.475 122.133 122.820 -0.354 0.000 1.908 250 A HA -0.151 4.169 4.320 0.001 0.000 0.218 250 A C 2.439 180.014 177.584 -0.014 0.000 1.181 250 A CA 2.031 54.016 52.037 -0.087 0.000 0.627 250 A CB -1.252 17.710 19.000 -0.062 0.000 0.818 250 A HN 0.618 nan 8.150 nan 0.000 0.445 251 A N -0.822 121.971 122.820 -0.045 0.000 1.902 251 A HA -0.154 4.167 4.320 0.001 0.000 0.217 251 A C 2.226 179.855 177.584 0.074 0.000 1.181 251 A CA 2.021 54.071 52.037 0.022 0.000 0.623 251 A CB -0.520 18.492 19.000 0.021 0.000 0.818 251 A HN 0.544 nan 8.150 nan 0.000 0.443 252 M N -1.339 118.311 119.600 0.083 0.000 2.117 252 M HA -0.144 4.337 4.480 0.001 0.000 0.262 252 M C 1.935 178.368 176.300 0.223 0.000 1.065 252 M CA 1.862 57.258 55.300 0.161 0.000 1.114 252 M CB -0.818 31.940 32.600 0.264 0.000 1.361 252 M HN 0.465 nan 8.290 nan 0.000 0.408 253 Y N 0.784 121.170 120.300 0.142 0.000 2.165 253 Y HA -0.247 4.304 4.550 0.001 0.000 0.286 253 Y C 2.713 178.648 175.900 0.057 0.000 1.155 253 Y CA 1.825 59.983 58.100 0.097 0.000 1.164 253 Y CB -1.393 37.103 38.460 0.060 0.000 0.978 253 Y HN 0.383 nan 8.280 nan 0.000 0.513 254 Q N 0.537 120.461 119.800 0.206 0.000 2.046 254 Q HA -0.163 4.178 4.340 0.001 0.000 0.200 254 Q C 2.476 178.537 176.000 0.101 0.000 0.975 254 Q CA 1.823 57.696 55.803 0.116 0.000 0.836 254 Q CB -0.312 28.473 28.738 0.078 0.000 0.896 254 Q HN 0.369 nan 8.270 nan 0.000 0.428 255 R N -1.075 119.494 120.500 0.115 0.000 2.091 255 R HA -0.120 4.221 4.340 0.001 0.000 0.238 255 R C 1.871 178.242 176.300 0.118 0.000 1.136 255 R CA 1.904 58.068 56.100 0.107 0.000 0.959 255 R CB -0.307 30.061 30.300 0.114 0.000 0.856 255 R HN 0.317 nan 8.270 nan 0.000 0.437 256 T N -0.212 114.436 114.554 0.158 0.000 2.812 256 T HA -0.075 4.276 4.350 0.001 0.000 0.264 256 T C 1.706 176.432 174.700 0.043 0.000 1.042 256 T CA 1.705 63.890 62.100 0.141 0.000 1.140 256 T CB -0.288 68.714 68.868 0.223 0.000 0.870 256 T HN 0.355 nan 8.240 nan 0.000 0.445 257 T N 2.310 116.887 114.554 0.038 0.000 2.684 257 T HA -0.152 4.199 4.350 0.001 0.000 0.267 257 T C 1.707 176.415 174.700 0.013 0.000 1.036 257 T CA 1.500 63.600 62.100 -0.001 0.000 1.148 257 T CB -0.555 68.317 68.868 0.005 0.000 0.863 257 T HN 0.334 nan 8.240 nan 0.000 0.436 258 D N 1.209 121.629 120.400 0.032 0.000 2.123 258 D HA -0.035 4.606 4.640 0.001 0.000 0.196 258 D C 2.356 178.677 176.300 0.034 0.000 0.992 258 D CA 1.310 55.328 54.000 0.030 0.000 0.833 258 D CB -0.565 40.257 40.800 0.037 0.000 0.954 258 D HN 0.417 nan 8.370 nan 0.000 0.455 259 A N 0.748 123.596 122.820 0.047 0.000 1.877 259 A HA -0.142 4.178 4.320 0.001 0.000 0.216 259 A C 2.409 180.017 177.584 0.041 0.000 1.186 259 A CA 0.971 53.039 52.037 0.052 0.000 0.620 259 A CB -0.799 18.246 19.000 0.075 0.000 0.822 259 A HN 0.197 nan 8.150 nan 0.000 0.443 260 I N -0.785 119.803 120.570 0.029 0.000 2.208 260 I HA -0.244 3.927 4.170 0.001 0.000 0.245 260 I C 2.316 178.461 176.117 0.046 0.000 1.097 260 I CA 1.059 62.374 61.300 0.025 0.000 1.363 260 I CB -0.246 37.742 38.000 -0.020 0.000 1.051 260 I HN 0.205 nan 8.210 nan 0.000 0.413 261 R N 0.725 121.243 120.500 0.031 0.000 2.339 261 R HA -0.066 4.275 4.340 0.001 0.000 0.199 261 R C 1.872 178.187 176.300 0.024 0.000 1.018 261 R CA 0.521 56.635 56.100 0.024 0.000 1.036 261 R CB -0.320 29.982 30.300 0.004 0.000 0.899 261 R HN 0.585 nan 8.270 nan 0.000 0.473 262 Q N 0.022 119.839 119.800 0.029 0.000 2.297 262 Q HA -0.064 4.276 4.340 0.001 0.000 0.204 262 Q C 1.743 177.762 176.000 0.030 0.000 0.962 262 Q CA 1.504 57.324 55.803 0.027 0.000 0.879 262 Q CB 0.382 29.137 28.738 0.029 0.000 0.947 262 Q HN 0.279 nan 8.270 nan 0.000 0.462 263 V N -4.576 115.362 119.914 0.040 0.000 3.485 263 V HA 0.278 4.399 4.120 0.001 0.000 0.280 263 V C -0.276 175.860 176.094 0.069 0.000 1.495 263 V CA -0.251 62.077 62.300 0.047 0.000 1.018 263 V CB 1.183 33.031 31.823 0.042 0.000 0.818 263 V HN -0.020 nan 8.190 nan 0.000 0.436 264 D N 0.386 120.837 120.400 0.085 0.000 2.616 264 D HA 0.322 4.963 4.640 0.001 0.000 0.238 264 D C 0.371 176.713 176.300 0.071 0.000 1.354 264 D CA -0.155 53.914 54.000 0.114 0.000 0.970 264 D CB 2.131 43.072 40.800 0.235 0.000 1.369 264 D HN 0.049 nan 8.370 nan 0.000 0.585 265 Q N 1.743 121.561 119.800 0.031 0.000 2.402 265 Q HA 0.100 4.441 4.340 0.001 0.000 0.206 265 Q C 0.065 176.029 176.000 -0.060 0.000 0.919 265 Q CA 0.644 56.438 55.803 -0.014 0.000 0.923 265 Q CB 0.912 29.640 28.738 -0.018 0.000 1.048 265 Q HN 0.501 nan 8.270 nan 0.000 0.515 266 D N -0.040 120.332 120.400 -0.046 0.000 2.454 266 D HA 0.048 4.689 4.640 0.001 0.000 0.219 266 D C 0.064 176.283 176.300 -0.135 0.000 1.081 266 D CA 0.280 54.221 54.000 -0.098 0.000 0.867 266 D CB 0.504 41.283 40.800 -0.036 0.000 1.054 266 D HN -0.020 nan 8.370 nan 0.000 0.500 267 T N 1.200 115.702 114.554 -0.087 0.000 2.916 267 T HA 0.038 4.389 4.350 0.001 0.000 0.303 267 T C 0.041 174.654 174.700 -0.144 0.000 1.025 267 T CA -0.226 61.789 62.100 -0.141 0.000 1.142 267 T CB 0.509 69.137 68.868 -0.401 0.000 0.947 267 T HN -0.020 nan 8.240 nan 0.000 0.544 268 W N 2.240 123.445 121.300 -0.157 0.000 2.253 268 W HA 0.386 5.047 4.660 0.002 0.000 0.322 268 W C -0.207 176.245 176.519 -0.110 0.000 1.342 268 W CA -0.447 56.838 57.345 -0.099 0.000 1.218 268 W CB 0.226 29.647 29.460 -0.065 0.000 1.205 268 W HN 0.268 nan 8.180 nan 0.000 0.551 269 V N 4.898 124.876 119.914 0.106 0.000 2.364 269 V HA 0.215 4.336 4.120 0.001 0.000 0.272 269 V C -0.136 175.986 176.094 0.046 0.000 1.036 269 V CA -0.874 61.445 62.300 0.033 0.000 0.880 269 V CB 0.414 32.214 31.823 -0.038 0.000 0.991 269 V HN 0.564 nan 8.190 nan 0.000 0.460 270 C N 5.811 125.124 119.300 0.022 0.000 2.303 270 C HA 0.729 5.189 4.460 0.001 0.000 0.326 270 C C 0.212 175.144 174.990 -0.096 0.000 1.285 270 C CA -0.845 58.190 59.018 0.027 0.000 1.675 270 C CB 0.732 28.530 27.740 0.097 0.000 2.289 270 C HN 0.765 nan 8.230 nan 0.000 0.512 271 V N 1.106 120.929 119.914 -0.151 0.000 2.628 271 V HA 0.992 5.113 4.120 0.001 0.000 0.306 271 V C -0.044 176.009 176.094 -0.067 0.000 1.045 271 V CA -0.481 61.566 62.300 -0.422 0.000 0.905 271 V CB 1.391 32.760 31.823 -0.758 0.000 0.997 271 V HN 1.051 nan 8.190 nan 0.000 0.436 272 A N 5.291 128.135 122.820 0.040 0.000 2.337 272 A HA 1.029 5.350 4.320 0.001 0.000 0.331 272 A C -2.570 175.181 177.584 0.279 0.000 1.137 272 A CA -2.005 50.098 52.037 0.109 0.000 0.807 272 A CB 1.436 20.476 19.000 0.066 0.000 1.250 272 A HN 0.813 nan 8.150 nan 0.000 0.468 273 P HA 0.214 nan 4.420 nan 0.000 0.277 273 P C -0.743 176.636 177.300 0.132 0.000 1.271 273 P CA -0.424 62.796 63.100 0.201 0.000 0.795 273 P CB 0.326 32.155 31.700 0.215 0.000 1.101 274 Q N -0.342 119.520 119.800 0.103 0.000 2.395 274 Q HA 0.245 4.586 4.340 0.001 0.000 0.271 274 Q C 0.715 176.784 176.000 0.115 0.000 1.026 274 Q CA -0.149 55.753 55.803 0.165 0.000 0.900 274 Q CB 0.370 29.250 28.738 0.238 0.000 1.266 274 Q HN 0.427 nan 8.270 nan 0.000 0.430 275 A N 4.532 127.414 122.820 0.103 0.000 1.878 275 A HA 0.092 4.413 4.320 0.001 0.000 0.213 275 A C 1.054 178.686 177.584 0.081 0.000 1.192 275 A CA 0.151 52.237 52.037 0.083 0.000 0.619 275 A CB -0.171 18.875 19.000 0.077 0.000 0.837 275 A HN 0.813 nan 8.150 nan 0.000 0.446 276 I N 0.108 120.702 120.570 0.041 0.000 2.668 276 I HA 0.220 4.391 4.170 0.001 0.000 0.285 276 I C 1.670 177.812 176.117 0.042 0.000 1.168 276 I CA 1.075 62.388 61.300 0.021 0.000 1.424 276 I CB 0.268 38.268 38.000 -0.001 0.000 1.377 276 I HN 0.613 nan 8.210 nan 0.000 0.560 277 G N 4.267 113.098 108.800 0.051 0.000 3.329 277 G HA2 -0.331 3.630 3.960 0.001 0.000 0.220 277 G HA3 -0.331 3.630 3.960 0.001 0.000 0.220 277 G C 0.821 175.781 174.900 0.100 0.000 1.358 277 G CA 0.341 45.477 45.100 0.061 0.000 0.856 277 G HN 0.406 nan 8.290 nan 0.000 0.551 278 V N 1.782 121.763 119.914 0.111 0.000 2.427 278 V HA -0.133 3.988 4.120 0.001 0.000 0.248 278 V C 2.557 178.794 176.094 0.238 0.000 1.051 278 V CA 2.571 64.962 62.300 0.150 0.000 1.048 278 V CB -0.641 31.261 31.823 0.132 0.000 0.666 278 V HN 0.507 nan 8.190 nan 0.000 0.456 279 N N 0.524 119.361 118.700 0.228 0.000 2.192 279 N HA -0.197 4.544 4.740 0.001 0.000 0.188 279 N C 1.759 177.423 175.510 0.257 0.000 1.013 279 N CA 1.252 54.474 53.050 0.287 0.000 0.863 279 N CB -0.291 38.380 38.487 0.307 0.000 0.990 279 N HN 0.553 nan 8.380 nan 0.000 0.430 280 Q N -1.410 118.511 119.800 0.202 0.000 2.319 280 Q HA 0.371 4.712 4.340 0.001 0.000 0.202 280 Q C 0.853 176.954 176.000 0.168 0.000 0.896 280 Q CA 0.442 56.340 55.803 0.159 0.000 0.942 280 Q CB 0.557 29.361 28.738 0.110 0.000 1.083 280 Q HN 0.353 nan 8.270 nan 0.000 0.510 281 G N -0.726 108.212 108.800 0.229 0.000 2.168 281 G HA2 -0.184 3.777 3.960 0.001 0.000 0.197 281 G HA3 -0.184 3.777 3.960 0.001 0.000 0.197 281 G C -0.467 174.516 174.900 0.138 0.000 0.997 281 G CA -0.581 44.657 45.100 0.229 0.000 0.658 281 G HN 0.130 nan 8.290 nan 0.000 0.513 282 L N 2.097 123.387 121.223 0.112 0.000 2.439 282 L HA 0.564 4.905 4.340 0.001 0.000 0.261 282 L C -1.328 175.574 176.870 0.053 0.000 1.153 282 L CA -1.960 52.920 54.840 0.065 0.000 0.808 282 L CB 0.214 42.305 42.059 0.053 0.000 1.126 282 L HN -0.039 nan 8.230 nan 0.000 0.460 283 P HA 0.085 nan 4.420 nan 0.000 0.272 283 P C -0.836 176.484 177.300 0.032 0.000 1.223 283 P CA -0.422 62.685 63.100 0.012 0.000 0.784 283 P CB 1.020 32.703 31.700 -0.029 0.000 0.923 284 S N 0.282 116.012 115.700 0.050 0.000 2.541 284 S HA 0.537 5.008 4.470 0.001 0.000 0.283 284 S C 1.196 175.811 174.600 0.025 0.000 1.196 284 S CA -0.358 57.874 58.200 0.052 0.000 1.062 284 S CB 0.155 63.415 63.200 0.100 0.000 1.009 284 S HN 0.536 nan 8.310 nan 0.000 0.502 285 G N 3.234 112.032 108.800 -0.003 0.000 3.284 285 G HA2 0.213 4.174 3.960 0.001 0.000 0.236 285 G HA3 0.213 4.174 3.960 0.001 0.000 0.236 285 G C 0.123 174.991 174.900 -0.054 0.000 1.158 285 G CA -0.289 44.797 45.100 -0.024 0.000 0.774 285 G HN 0.606 nan 8.290 nan 0.000 0.545 286 L N 2.949 124.140 121.223 -0.053 0.000 2.485 286 L HA 0.392 4.732 4.340 0.001 0.000 0.275 286 L C 0.843 177.662 176.870 -0.085 0.000 1.207 286 L CA 0.237 55.040 54.840 -0.062 0.000 0.855 286 L CB 0.655 42.712 42.059 -0.003 0.000 1.114 286 L HN 0.148 nan 8.230 nan 0.000 0.485 287 T N 1.736 116.248 114.554 -0.069 0.000 2.949 287 T HA 0.381 4.732 4.350 0.001 0.000 0.287 287 T C -0.186 174.477 174.700 -0.063 0.000 1.034 287 T CA -1.072 60.984 62.100 -0.072 0.000 1.018 287 T CB 0.942 69.775 68.868 -0.057 0.000 1.135 287 T HN 0.664 nan 8.240 nan 0.000 0.532 288 K N 0.812 121.170 120.400 -0.071 0.000 2.448 288 K HA 0.218 4.539 4.320 0.001 0.000 0.278 288 K C -0.517 176.065 176.600 -0.030 0.000 1.009 288 K CA -0.469 55.779 56.287 -0.065 0.000 0.995 288 K CB 0.131 32.590 32.500 -0.068 0.000 0.917 288 K HN 0.428 nan 8.250 nan 0.000 0.481 289 I N 3.848 124.403 120.570 -0.024 0.000 2.359 289 I HA 0.160 4.331 4.170 0.001 0.000 0.294 289 I C -0.100 176.007 176.117 -0.016 0.000 0.987 289 I CA -0.632 60.667 61.300 -0.001 0.000 1.225 289 I CB 1.402 39.407 38.000 0.008 0.000 1.366 289 I HN 0.642 nan 8.210 nan 0.000 0.466 290 D N 4.241 124.635 120.400 -0.009 0.000 2.304 290 D HA 0.143 4.784 4.640 0.001 0.000 0.250 290 D C -0.287 175.998 176.300 -0.024 0.000 1.107 290 D CA 0.077 54.066 54.000 -0.018 0.000 0.885 290 D CB 1.564 42.357 40.800 -0.011 0.000 1.192 290 D HN 0.342 nan 8.370 nan 0.000 0.436 291 D N 2.065 122.441 120.400 -0.040 0.000 2.392 291 D HA 0.179 4.820 4.640 0.001 0.000 0.228 291 D C -1.705 174.566 176.300 -0.050 0.000 1.074 291 D CA -2.034 51.933 54.000 -0.055 0.000 0.838 291 D CB 1.750 42.495 40.800 -0.092 0.000 1.067 291 D HN 0.027 nan 8.370 nan 0.000 0.511 292 P HA -0.031 nan 4.420 nan 0.000 0.242 292 P C 0.353 177.630 177.300 -0.038 0.000 1.197 292 P CA 0.017 63.100 63.100 -0.029 0.000 0.765 292 P CB -0.018 31.673 31.700 -0.015 0.000 0.936 293 R N 0.509 120.975 120.500 -0.057 0.000 2.640 293 R HA 0.335 4.676 4.340 0.001 0.000 0.270 293 R C -0.046 176.219 176.300 -0.059 0.000 1.024 293 R CA -0.301 55.760 56.100 -0.064 0.000 1.085 293 R CB -0.008 30.231 30.300 -0.101 0.000 0.963 293 R HN -0.114 nan 8.270 nan 0.000 0.426 294 A N 2.727 125.518 122.820 -0.047 0.000 2.488 294 A HA 0.480 4.800 4.320 0.001 0.000 0.249 294 A C 1.029 178.583 177.584 -0.051 0.000 1.083 294 A CA 0.644 52.657 52.037 -0.040 0.000 0.768 294 A CB -0.388 18.595 19.000 -0.028 0.000 1.017 294 A HN 1.323 nan 8.150 nan 0.000 0.496 295 G N 1.597 110.369 108.800 -0.046 0.000 2.545 295 G HA2 -0.112 3.849 3.960 0.001 0.000 0.216 295 G HA3 -0.112 3.849 3.960 0.001 0.000 0.216 295 G C -0.319 174.543 174.900 -0.064 0.000 1.314 295 G CA -0.084 44.986 45.100 -0.049 0.000 0.906 295 G HN 1.058 nan 8.290 nan 0.000 0.563 296 Q N 0.597 120.355 119.800 -0.070 0.000 2.373 296 Q HA 0.353 4.693 4.340 0.001 0.000 0.255 296 Q C 0.640 176.555 176.000 -0.141 0.000 0.980 296 Q CA -0.060 55.697 55.803 -0.077 0.000 0.882 296 Q CB 0.507 29.216 28.738 -0.048 0.000 1.249 296 Q HN 0.541 nan 8.270 nan 0.000 0.438 297 Q N 1.472 121.197 119.800 -0.125 0.000 2.395 297 Q HA 0.056 4.397 4.340 0.001 0.000 0.271 297 Q C -0.240 175.555 176.000 -0.341 0.000 1.026 297 Q CA 0.641 56.341 55.803 -0.172 0.000 0.900 297 Q CB 0.581 29.262 28.738 -0.095 0.000 1.266 297 Q HN 0.366 nan 8.270 nan 0.000 0.430 298 R N 2.240 122.446 120.500 -0.490 0.000 2.748 298 R HA 0.356 4.697 4.340 0.001 0.000 0.283 298 R C -0.749 175.335 176.300 -0.359 0.000 1.507 298 R CA -0.296 55.171 56.100 -1.055 0.000 1.666 298 R CB 0.529 29.960 30.300 -1.448 0.000 1.237 298 R HN 0.417 nan 8.270 nan 0.000 0.633 299 I N 1.086 121.660 120.570 0.008 0.000 2.441 299 I HA 0.571 4.742 4.170 0.001 0.000 0.295 299 I C 0.329 176.664 176.117 0.363 0.000 0.994 299 I CA -0.860 60.533 61.300 0.155 0.000 1.144 299 I CB 1.622 39.644 38.000 0.038 0.000 1.314 299 I HN 0.296 nan 8.210 nan 0.000 0.445 300 A N 5.548 128.541 122.820 0.288 0.000 2.430 300 A HA 0.688 5.008 4.320 0.001 0.000 0.300 300 A C -1.813 175.865 177.584 0.158 0.000 1.124 300 A CA -0.485 51.663 52.037 0.185 0.000 0.766 300 A CB 1.715 20.760 19.000 0.075 0.000 1.328 300 A HN 0.535 nan 8.150 nan 0.000 0.424 301 Y N 0.167 120.448 120.300 -0.032 0.000 2.331 301 Y HA 0.497 5.048 4.550 0.001 0.000 0.338 301 Y C -0.215 175.685 175.900 -0.001 0.000 0.992 301 Y CA -1.508 56.567 58.100 -0.041 0.000 1.121 301 Y CB 1.572 39.989 38.460 -0.073 0.000 1.184 301 Y HN 0.691 nan 8.280 nan 0.000 0.469 302 C N 10.623 129.774 119.300 -0.250 0.000 3.276 302 C HA 0.465 4.926 4.460 0.001 0.000 0.226 302 C C -2.472 172.403 174.990 -0.191 0.000 1.502 302 C CA -1.883 57.055 59.018 -0.134 0.000 1.488 302 C CB -1.317 26.460 27.740 0.062 0.000 2.014 302 C HN 0.685 nan 8.230 nan 0.000 0.492 303 P HA 0.256 nan 4.420 nan 0.000 0.274 303 P C -0.703 176.769 177.300 0.287 0.000 1.256 303 P CA 0.399 63.394 63.100 -0.175 0.000 0.795 303 P CB 0.897 32.437 31.700 -0.267 0.000 1.038 304 H N -0.903 118.282 119.070 0.191 0.000 2.676 304 H HA 0.616 5.172 4.556 0.001 0.000 0.352 304 H C -0.780 174.585 175.328 0.062 0.000 1.193 304 H CA -1.035 55.085 56.048 0.119 0.000 1.243 304 H CB 1.661 31.526 29.762 0.171 0.000 1.751 304 H HN 0.203 nan 8.280 nan 0.000 0.567 305 L N 2.213 123.304 121.223 -0.221 0.000 2.406 305 L HA 0.279 4.620 4.340 0.001 0.000 0.270 305 L C -2.027 174.555 176.870 -0.480 0.000 0.982 305 L CA -0.462 54.073 54.840 -0.509 0.000 0.843 305 L CB 0.467 41.869 42.059 -1.095 0.000 1.225 305 L HN 0.549 nan 8.230 nan 0.000 0.412 306 Y N 5.451 125.769 120.300 0.029 0.000 2.563 306 Y HA 0.458 5.009 4.550 0.001 0.000 0.351 306 Y C -2.319 173.604 175.900 0.038 0.000 1.087 306 Y CA -2.359 55.781 58.100 0.067 0.000 1.272 306 Y CB 0.941 39.463 38.460 0.103 0.000 1.095 306 Y HN 0.528 nan 8.280 nan 0.000 0.620 307 P HA 0.048 nan 4.420 nan 0.000 0.264 307 P C 1.110 178.447 177.300 0.062 0.000 1.183 307 P CA 0.283 63.422 63.100 0.065 0.000 0.763 307 P CB 1.043 32.742 31.700 -0.001 0.000 0.807 308 L N 4.825 126.083 121.223 0.058 0.000 2.013 308 L HA -0.172 4.169 4.340 0.001 0.000 0.212 308 L C -0.392 176.492 176.870 0.023 0.000 1.073 308 L CA 2.066 56.931 54.840 0.042 0.000 0.753 308 L CB -1.940 40.140 42.059 0.036 0.000 0.890 308 L HN 0.476 nan 8.230 nan 0.000 0.432 309 P HA -0.120 nan 4.420 nan 0.000 0.218 309 P C 0.666 177.960 177.300 -0.009 0.000 1.148 309 P CA 1.108 64.211 63.100 0.004 0.000 0.822 309 P CB 0.081 31.785 31.700 0.006 0.000 0.784 317 E N 0.824 120.944 120.200 -0.133 0.000 2.412 317 E HA 0.567 4.917 4.350 0.001 0.000 0.279 317 E C 0.436 176.976 176.600 -0.100 0.000 0.984 317 E CA -1.185 55.139 56.400 -0.126 0.000 0.788 317 E CB 1.831 31.502 29.700 -0.048 0.000 1.277 317 E HN 0.529 nan 8.360 nan 0.000 0.455 318 G N 0.836 109.586 108.800 -0.083 0.000 2.566 318 G HA2 -0.353 3.608 3.960 0.001 0.000 0.280 318 G HA3 -0.353 3.608 3.960 0.001 0.000 0.280 318 G C 0.537 175.402 174.900 -0.060 0.000 1.225 318 G CA 0.397 45.463 45.100 -0.056 0.000 0.966 318 G HN 0.709 nan 8.290 nan 0.000 0.560 319 L N 1.033 122.233 121.223 -0.038 0.000 2.083 319 L HA 0.264 4.605 4.340 0.001 0.000 0.209 319 L C 3.283 180.135 176.870 -0.031 0.000 1.083 319 L CA 3.152 57.974 54.840 -0.029 0.000 0.752 319 L CB -1.161 40.888 42.059 -0.016 0.000 0.899 319 L HN 1.386 nan 8.230 nan 0.000 0.433 320 A N -0.290 122.509 122.820 -0.034 0.000 1.908 320 A HA -0.292 4.029 4.320 0.001 0.000 0.218 320 A C 2.526 180.084 177.584 -0.043 0.000 1.181 320 A CA 1.953 53.975 52.037 -0.025 0.000 0.627 320 A CB -0.656 18.334 19.000 -0.017 0.000 0.818 320 A HN 0.537 nan 8.150 nan 0.000 0.445 321 R N -0.860 119.557 120.500 -0.139 0.000 2.081 321 R HA -0.107 4.234 4.340 0.001 0.000 0.235 321 R C 2.131 178.366 176.300 -0.108 0.000 1.131 321 R CA 2.094 58.009 56.100 -0.309 0.000 0.960 321 R CB -0.665 29.340 30.300 -0.491 0.000 0.856 321 R HN 0.462 nan 8.270 nan 0.000 0.436 322 T N 1.339 115.855 114.554 -0.064 0.000 2.746 322 T HA -0.112 4.239 4.350 0.001 0.000 0.267 322 T C 1.757 176.468 174.700 0.018 0.000 1.039 322 T CA 1.474 63.565 62.100 -0.015 0.000 1.142 322 T CB -0.148 68.711 68.868 -0.015 0.000 0.866 322 T HN 0.165 nan 8.240 nan 0.000 0.444 323 L N 0.589 121.821 121.223 0.015 0.000 2.046 323 L HA -0.118 4.222 4.340 0.001 0.000 0.208 323 L C 2.931 179.836 176.870 0.058 0.000 1.077 323 L CA 1.195 56.054 54.840 0.032 0.000 0.747 323 L CB -0.949 41.123 42.059 0.023 0.000 0.896 323 L HN 0.265 nan 8.230 nan 0.000 0.432 324 T N -1.189 113.414 114.554 0.081 0.000 2.777 324 T HA -0.159 4.192 4.350 0.001 0.000 0.266 324 T C 1.470 176.270 174.700 0.167 0.000 1.040 324 T CA 1.275 63.451 62.100 0.127 0.000 1.141 324 T CB -0.178 68.800 68.868 0.183 0.000 0.868 324 T HN 0.288 nan 8.240 nan 0.000 0.444 325 D N 1.028 121.528 120.400 0.166 0.000 2.117 325 D HA -0.089 4.552 4.640 0.001 0.000 0.197 325 D C 2.394 178.750 176.300 0.094 0.000 0.987 325 D CA 1.241 55.323 54.000 0.137 0.000 0.829 325 D CB -0.439 40.424 40.800 0.105 0.000 0.961 325 D HN 0.419 nan 8.370 nan 0.000 0.460 326 V N -1.227 118.733 119.914 0.076 0.000 2.548 326 V HA -0.131 3.990 4.120 0.001 0.000 0.249 326 V C 2.140 178.284 176.094 0.084 0.000 1.055 326 V CA 1.684 64.024 62.300 0.066 0.000 1.065 326 V CB -1.084 30.768 31.823 0.048 0.000 0.681 326 V HN -0.012 nan 8.190 nan 0.000 0.462 327 T N 1.376 115.986 114.554 0.094 0.000 2.720 327 T HA -0.089 4.262 4.350 0.001 0.000 0.268 327 T C 1.845 176.637 174.700 0.153 0.000 1.037 327 T CA 2.413 64.582 62.100 0.116 0.000 1.144 327 T CB -0.447 68.481 68.868 0.101 0.000 0.864 327 T HN 0.507 nan 8.240 nan 0.000 0.444 328 I N 1.249 121.892 120.570 0.122 0.000 2.208 328 I HA -0.197 3.974 4.170 0.001 0.000 0.245 328 I C 2.333 178.560 176.117 0.184 0.000 1.097 328 I CA 1.219 62.589 61.300 0.117 0.000 1.363 328 I CB -0.395 37.626 38.000 0.034 0.000 1.051 328 I HN 0.158 nan 8.210 nan 0.000 0.413 329 D N 1.083 121.559 120.400 0.125 0.000 2.097 329 D HA -0.158 4.483 4.640 0.001 0.000 0.195 329 D C 2.266 178.632 176.300 0.111 0.000 0.989 329 D CA 1.678 55.739 54.000 0.101 0.000 0.827 329 D CB -0.233 40.606 40.800 0.065 0.000 0.966 329 D HN 0.361 nan 8.370 nan 0.000 0.456 330 A N 0.321 123.214 122.820 0.121 0.000 1.877 330 A HA -0.163 4.158 4.320 0.001 0.000 0.216 330 A C 2.188 179.853 177.584 0.135 0.000 1.186 330 A CA 1.489 53.589 52.037 0.104 0.000 0.620 330 A CB -1.336 17.724 19.000 0.100 0.000 0.822 330 A HN 0.404 nan 8.150 nan 0.000 0.443 331 W N 0.799 122.109 121.300 0.016 0.000 2.318 331 W HA -0.262 4.399 4.660 0.001 0.000 0.313 331 W C 2.452 178.978 176.519 0.013 0.000 1.221 331 W CA 2.467 59.822 57.345 0.018 0.000 1.266 331 W CB -0.174 29.288 29.460 0.004 0.000 1.150 331 W HN 0.346 nan 8.180 nan 0.000 0.496 332 R N 0.342 120.964 120.500 0.204 0.000 2.073 332 R HA -0.176 4.165 4.340 0.001 0.000 0.234 332 R C 2.301 178.527 176.300 -0.123 0.000 1.134 332 R CA 2.163 58.261 56.100 -0.003 0.000 0.952 332 R CB -0.871 29.503 30.300 0.123 0.000 0.850 332 R HN 0.193 nan 8.270 nan 0.000 0.433 333 A N 1.219 124.011 122.820 -0.047 0.000 1.902 333 A HA -0.182 4.138 4.320 0.001 0.000 0.217 333 A C 1.835 179.378 177.584 -0.068 0.000 1.181 333 A CA 1.709 53.718 52.037 -0.047 0.000 0.623 333 A CB -0.635 18.351 19.000 -0.022 0.000 0.818 333 A HN 0.453 nan 8.150 nan 0.000 0.443 334 N N -0.340 118.302 118.700 -0.097 0.000 2.142 334 N HA -0.098 4.642 4.740 0.001 0.000 0.186 334 N C 1.777 177.219 175.510 -0.113 0.000 1.023 334 N CA 1.898 54.900 53.050 -0.081 0.000 0.852 334 N CB -0.874 37.567 38.487 -0.076 0.000 0.998 334 N HN 0.473 nan 8.380 nan 0.000 0.424 335 T N 1.363 115.725 114.554 -0.320 0.000 2.684 335 T HA -0.086 4.265 4.350 0.001 0.000 0.267 335 T C 1.988 176.597 174.700 -0.152 0.000 1.036 335 T CA 1.466 63.385 62.100 -0.303 0.000 1.148 335 T CB -0.354 67.976 68.868 -0.897 0.000 0.863 335 T HN 0.344 nan 8.240 nan 0.000 0.436 336 A N 1.036 123.756 122.820 -0.166 0.000 1.908 336 A HA -0.190 4.131 4.320 0.001 0.000 0.218 336 A C 1.996 179.527 177.584 -0.089 0.000 1.181 336 A CA 2.372 54.345 52.037 -0.107 0.000 0.627 336 A CB -1.004 17.949 19.000 -0.079 0.000 0.818 336 A HN 0.704 nan 8.150 nan 0.000 0.445 337 H N -0.205 118.780 119.070 -0.142 0.000 2.290 337 H HA -0.101 4.456 4.556 0.001 0.000 0.298 337 H C 2.073 177.289 175.328 -0.187 0.000 1.087 337 H CA 2.546 58.512 56.048 -0.136 0.000 1.291 337 H CB -0.460 29.234 29.762 -0.114 0.000 1.369 337 H HN 0.358 nan 8.280 nan 0.000 0.492 338 T N 0.298 114.656 114.554 -0.325 0.000 2.867 338 T HA -0.054 4.297 4.350 0.001 0.000 0.268 338 T C 2.196 176.512 174.700 -0.641 0.000 1.057 338 T CA 1.036 62.805 62.100 -0.552 0.000 1.136 338 T CB -0.629 67.877 68.868 -0.603 0.000 0.874 338 T HN 0.561 nan 8.240 nan 0.000 0.466 339 A N 1.777 124.307 122.820 -0.483 0.000 1.972 339 A HA -0.119 4.202 4.320 0.001 0.000 0.219 339 A C 2.384 179.820 177.584 -0.246 0.000 1.169 339 A CA 1.248 53.099 52.037 -0.311 0.000 0.635 339 A CB -0.417 18.508 19.000 -0.125 0.000 0.810 339 A HN 0.389 nan 8.150 nan 0.000 0.446 340 R N -0.816 119.526 120.500 -0.263 0.000 2.066 340 R HA -0.057 4.283 4.340 0.001 0.000 0.232 340 R C 2.066 178.215 176.300 -0.250 0.000 1.131 340 R CA 1.385 57.352 56.100 -0.220 0.000 0.955 340 R CB -0.629 29.550 30.300 -0.202 0.000 0.851 340 R HN 0.376 nan 8.270 nan 0.000 0.432 341 V N 1.881 121.571 119.914 -0.373 0.000 2.324 341 V HA -0.246 3.874 4.120 0.001 0.000 0.250 341 V C 2.190 178.149 176.094 -0.224 0.000 1.060 341 V CA 1.694 63.804 62.300 -0.318 0.000 1.042 341 V CB -0.416 31.171 31.823 -0.395 0.000 0.650 341 V HN 0.319 nan 8.190 nan 0.000 0.450 342 L N 0.037 121.113 121.223 -0.246 0.000 2.551 342 L HA 0.212 4.553 4.340 0.001 0.000 0.228 342 L C 1.402 178.208 176.870 -0.107 0.000 1.153 342 L CA 0.950 55.686 54.840 -0.173 0.000 0.851 342 L CB -0.358 41.583 42.059 -0.198 0.000 0.959 342 L HN 0.585 nan 8.230 nan 0.000 0.451 343 G N -0.412 108.325 108.800 -0.106 0.000 2.338 343 G HA2 -0.159 3.802 3.960 0.001 0.000 0.115 343 G HA3 -0.159 3.802 3.960 0.001 0.000 0.115 343 G C -0.238 174.636 174.900 -0.044 0.000 1.053 343 G CA -0.482 44.580 45.100 -0.064 0.000 0.733 343 G HN 0.246 nan 8.290 nan 0.000 0.482 344 D N -1.392 118.966 120.400 -0.069 0.000 2.697 344 D HA -0.164 4.477 4.640 0.001 0.000 0.238 344 D C 1.122 177.408 176.300 -0.023 0.000 1.152 344 D CA 1.483 55.451 54.000 -0.052 0.000 0.666 344 D CB -1.631 39.150 40.800 -0.031 0.000 1.037 344 D HN 1.680 nan 8.370 nan 0.000 0.423 345 V N -3.203 116.694 119.914 -0.029 0.000 2.997 345 V HA 0.739 4.860 4.120 0.001 0.000 0.311 345 V C -2.149 173.930 176.094 -0.025 0.000 1.066 345 V CA -1.704 60.613 62.300 0.028 0.000 1.039 345 V CB 1.288 33.144 31.823 0.056 0.000 1.081 345 V HN -0.170 nan 8.190 nan 0.000 0.467 346 P HA 0.418 nan 4.420 nan 0.000 0.272 346 P C -0.740 176.488 177.300 -0.119 0.000 1.223 346 P CA 0.060 63.043 63.100 -0.195 0.000 0.784 346 P CB 0.359 31.826 31.700 -0.388 0.000 0.923 347 I N 2.215 122.695 120.570 -0.150 0.000 2.474 347 I HA 0.421 4.592 4.170 0.001 0.000 0.294 347 I C -0.045 176.015 176.117 -0.095 0.000 1.005 347 I CA -0.540 60.718 61.300 -0.069 0.000 1.113 347 I CB 1.347 39.314 38.000 -0.055 0.000 1.289 347 I HN 0.091 nan 8.210 nan 0.000 0.436 348 I N 6.411 126.953 120.570 -0.046 0.000 2.447 348 I HA 0.212 4.383 4.170 0.001 0.000 0.287 348 I C -0.696 175.466 176.117 0.076 0.000 1.023 348 I CA -0.835 60.457 61.300 -0.014 0.000 1.083 348 I CB 2.057 40.057 38.000 0.001 0.000 1.245 348 I HN 0.339 nan 8.210 nan 0.000 0.434 349 L N 6.809 128.096 121.223 0.106 0.000 2.454 349 L HA 0.349 4.690 4.340 0.001 0.000 0.284 349 L C 1.222 178.199 176.870 0.179 0.000 1.139 349 L CA 0.439 55.373 54.840 0.156 0.000 0.911 349 L CB 0.442 42.522 42.059 0.035 0.000 1.262 349 L HN 0.731 nan 8.230 nan 0.000 0.453 350 G N 4.192 113.146 108.800 0.256 0.000 2.443 350 G HA2 -0.047 3.914 3.960 0.001 0.000 0.219 350 G HA3 -0.047 3.914 3.960 0.001 0.000 0.219 350 G C 0.251 175.196 174.900 0.075 0.000 1.131 350 G CA 0.264 45.529 45.100 0.276 0.000 0.775 350 G HN 0.619 nan 8.290 nan 0.000 0.547 351 E N -1.318 118.802 120.200 -0.133 0.000 2.335 351 E HA 0.512 4.863 4.350 0.001 0.000 0.280 351 E C -1.628 174.822 176.600 -0.250 0.000 0.918 351 E CA -0.838 55.427 56.400 -0.226 0.000 0.765 351 E CB 2.551 31.943 29.700 -0.512 0.000 1.218 351 E HN 0.181 nan 8.360 nan 0.000 0.425 352 F N -0.204 119.471 119.950 -0.459 0.000 2.713 352 F HA 0.860 5.388 4.527 0.001 0.000 0.311 352 F C -0.819 174.692 175.800 -0.481 0.000 1.141 352 F CA -0.377 57.221 58.000 -0.671 0.000 0.939 352 F CB 1.737 40.383 39.000 -0.590 0.000 1.325 352 F HN 0.598 nan 8.300 nan 0.000 0.453 353 G N 1.303 109.704 108.800 -0.665 0.000 2.340 353 G HA2 0.591 4.552 3.960 0.001 0.000 0.298 353 G HA3 0.591 4.552 3.960 0.001 0.000 0.298 353 G C -2.355 172.246 174.900 -0.498 0.000 1.498 353 G CA -0.363 44.276 45.100 -0.769 0.000 0.847 353 G HN 1.810 nan 8.290 nan 0.000 0.594 354 L N -2.057 118.688 121.223 -0.797 0.000 2.838 354 L HA 0.795 5.136 4.340 0.001 0.000 0.266 354 L C -1.506 174.564 176.870 -1.332 0.000 1.040 354 L CA -1.179 52.843 54.840 -1.364 0.000 0.906 354 L CB 2.058 43.789 42.059 -0.547 0.000 1.501 354 L HN 0.528 nan 8.230 nan 0.000 0.407 355 D N 1.647 121.324 120.400 -1.205 0.000 2.389 355 D HA 0.064 4.705 4.640 0.001 0.000 0.263 355 D C 1.268 177.458 176.300 -0.184 0.000 1.255 355 D CA 0.711 54.433 54.000 -0.463 0.000 0.914 355 D CB 1.454 42.199 40.800 -0.092 0.000 1.116 355 D HN 0.754 nan 8.370 nan 0.000 0.502 356 T N -0.314 114.201 114.554 -0.065 0.000 3.113 356 T HA -0.147 4.204 4.350 0.001 0.000 0.263 356 T C 1.543 176.252 174.700 0.015 0.000 1.143 356 T CA 1.215 63.311 62.100 -0.006 0.000 1.090 356 T CB -0.387 68.492 68.868 0.018 0.000 0.922 356 T HN 0.401 nan 8.240 nan 0.000 0.521 357 T N -0.268 114.301 114.554 0.024 0.000 3.129 357 T HA 0.344 4.695 4.350 0.001 0.000 0.251 357 T C 0.566 175.285 174.700 0.031 0.000 1.117 357 T CA -0.469 61.653 62.100 0.036 0.000 1.034 357 T CB -0.627 68.272 68.868 0.052 0.000 0.968 357 T HN 0.399 nan 8.240 nan 0.000 0.526 358 L N 2.443 123.676 121.223 0.016 0.000 2.367 358 L HA 0.353 4.694 4.340 0.001 0.000 0.275 358 L C -2.193 174.700 176.870 0.039 0.000 1.129 358 L CA -2.335 52.517 54.840 0.020 0.000 0.839 358 L CB 0.242 42.297 42.059 -0.006 0.000 1.133 358 L HN -0.013 nan 8.230 nan 0.000 0.453 359 P HA 0.029 nan 4.420 nan 0.000 0.264 359 P C 0.776 178.131 177.300 0.091 0.000 1.183 359 P CA 0.649 63.782 63.100 0.056 0.000 0.763 359 P CB 0.724 32.449 31.700 0.042 0.000 0.807 360 G N 2.359 111.226 108.800 0.113 0.000 2.176 360 G HA2 -0.321 3.640 3.960 0.001 0.000 0.253 360 G HA3 -0.321 3.640 3.960 0.001 0.000 0.253 360 G C 1.193 176.224 174.900 0.218 0.000 0.979 360 G CA 0.494 45.717 45.100 0.205 0.000 0.641 360 G HN 0.674 nan 8.290 nan 0.000 0.530 361 A N 0.373 123.268 122.820 0.125 0.000 1.908 361 A HA 0.027 4.348 4.320 0.001 0.000 0.218 361 A C 2.161 179.826 177.584 0.134 0.000 1.181 361 A CA 2.531 54.630 52.037 0.103 0.000 0.627 361 A CB -0.506 18.528 19.000 0.056 0.000 0.818 361 A HN 0.710 nan 8.150 nan 0.000 0.445 362 R N -0.357 120.207 120.500 0.107 0.000 2.081 362 R HA -0.166 4.175 4.340 0.001 0.000 0.235 362 R C 1.519 177.881 176.300 0.103 0.000 1.131 362 R CA 1.914 58.069 56.100 0.092 0.000 0.960 362 R CB -0.337 30.002 30.300 0.064 0.000 0.856 362 R HN 0.465 nan 8.270 nan 0.000 0.436 363 D N -0.640 119.840 120.400 0.134 0.000 2.117 363 D HA -0.205 4.436 4.640 0.001 0.000 0.197 363 D C 1.551 177.926 176.300 0.125 0.000 0.987 363 D CA 1.181 55.270 54.000 0.147 0.000 0.829 363 D CB -0.425 40.505 40.800 0.216 0.000 0.961 363 D HN 0.292 nan 8.370 nan 0.000 0.460 364 Y N 1.433 121.682 120.300 -0.083 0.000 2.114 364 Y HA -0.163 4.387 4.550 0.001 0.000 0.284 364 Y C 2.203 178.073 175.900 -0.049 0.000 1.143 364 Y CA 1.229 59.162 58.100 -0.280 0.000 1.135 364 Y CB -0.552 37.542 38.460 -0.610 0.000 0.980 364 Y HN -0.102 nan 8.280 nan 0.000 0.499 365 I N 0.384 120.942 120.570 -0.019 0.000 2.163 365 I HA -0.324 3.847 4.170 0.001 0.000 0.243 365 I C 2.310 178.487 176.117 0.100 0.000 1.085 365 I CA 1.976 63.347 61.300 0.119 0.000 1.347 365 I CB -0.453 37.718 38.000 0.285 0.000 1.044 365 I HN 0.316 nan 8.210 nan 0.000 0.408 366 E N 0.224 120.461 120.200 0.062 0.000 2.106 366 E HA -0.255 4.096 4.350 0.001 0.000 0.192 366 E C 2.246 178.832 176.600 -0.023 0.000 0.984 366 E CA 0.866 57.297 56.400 0.052 0.000 0.806 366 E CB -0.121 29.599 29.700 0.034 0.000 0.750 366 E HN 0.355 nan 8.360 nan 0.000 0.458 367 R N 0.802 121.247 120.500 -0.091 0.000 2.075 367 R HA -0.119 4.222 4.340 0.001 0.000 0.232 367 R C 2.200 178.341 176.300 -0.266 0.000 1.126 367 R CA 0.988 57.008 56.100 -0.133 0.000 0.963 367 R CB -0.136 30.113 30.300 -0.084 0.000 0.858 367 R HN -0.017 nan 8.270 nan 0.000 0.435 368 V N 0.110 119.723 119.914 -0.502 0.000 2.343 368 V HA -0.245 3.875 4.120 0.001 0.000 0.247 368 V C 1.829 177.556 176.094 -0.612 0.000 1.051 368 V CA 1.736 63.560 62.300 -0.793 0.000 1.036 368 V CB -0.626 30.250 31.823 -1.580 0.000 0.654 368 V HN 0.346 nan 8.190 nan 0.000 0.451 369 Y N 1.262 121.348 120.300 -0.358 0.000 2.242 369 Y HA -0.059 4.491 4.550 0.001 0.000 0.291 369 Y C 2.516 178.303 175.900 -0.189 0.000 1.137 369 Y CA 1.463 59.439 58.100 -0.206 0.000 1.181 369 Y CB -0.976 37.425 38.460 -0.098 0.000 0.989 369 Y HN 0.268 nan 8.280 nan 0.000 0.527 370 G N -1.171 107.595 108.800 -0.056 0.000 2.418 370 G HA2 -0.232 3.729 3.960 0.001 0.000 0.217 370 G HA3 -0.232 3.729 3.960 0.001 0.000 0.217 370 G C 1.749 176.571 174.900 -0.131 0.000 1.158 370 G CA 1.586 46.615 45.100 -0.117 0.000 0.771 370 G HN 0.313 nan 8.290 nan 0.000 0.545 371 T N 1.727 116.199 114.554 -0.136 0.000 2.708 371 T HA 0.003 4.354 4.350 0.001 0.000 0.266 371 T C 2.841 177.499 174.700 -0.070 0.000 1.037 371 T CA 1.571 63.613 62.100 -0.097 0.000 1.146 371 T CB -0.443 68.362 68.868 -0.106 0.000 0.865 371 T HN 0.368 nan 8.240 nan 0.000 0.435 372 A N 1.819 124.568 122.820 -0.118 0.000 1.908 372 A HA -0.182 4.138 4.320 0.001 0.000 0.218 372 A C 2.286 179.865 177.584 -0.008 0.000 1.181 372 A CA 2.116 54.116 52.037 -0.062 0.000 0.627 372 A CB -0.669 18.250 19.000 -0.135 0.000 0.818 372 A HN 0.477 nan 8.150 nan 0.000 0.445 373 R N -0.080 120.396 120.500 -0.041 0.000 2.083 373 R HA -0.182 4.159 4.340 0.001 0.000 0.237 373 R C 2.008 178.260 176.300 -0.080 0.000 1.137 373 R CA 1.923 57.973 56.100 -0.083 0.000 0.951 373 R CB -0.376 29.665 30.300 -0.433 0.000 0.851 373 R HN 0.668 nan 8.270 nan 0.000 0.434 374 E N 0.009 120.145 120.200 -0.107 0.000 2.153 374 E HA -0.193 4.157 4.350 0.001 0.000 0.194 374 E C 1.885 178.475 176.600 -0.017 0.000 0.988 374 E CA 1.565 57.926 56.400 -0.065 0.000 0.811 374 E CB -0.055 29.607 29.700 -0.065 0.000 0.746 374 E HN 0.466 nan 8.360 nan 0.000 0.466 375 M N -0.636 118.954 119.600 -0.016 0.000 2.618 375 M HA 0.098 4.579 4.480 0.001 0.000 0.240 375 M C 1.046 177.303 176.300 -0.072 0.000 1.123 375 M CA 0.562 55.844 55.300 -0.031 0.000 1.060 375 M CB 0.533 33.123 32.600 -0.017 0.000 1.535 375 M HN 0.201 nan 8.290 nan 0.000 0.507 376 G N 1.501 110.292 108.800 -0.014 0.000 2.221 376 G HA2 -0.195 3.766 3.960 0.001 0.000 0.265 376 G HA3 -0.195 3.766 3.960 0.001 0.000 0.265 376 G C -0.003 174.775 174.900 -0.205 0.000 1.041 376 G CA 0.189 45.237 45.100 -0.086 0.000 0.807 376 G HN 0.686 nan 8.290 nan 0.000 0.502 377 A N -0.372 122.416 122.820 -0.053 0.000 2.303 377 A HA 0.883 5.204 4.320 0.001 0.000 0.317 377 A C 1.026 178.597 177.584 -0.022 0.000 1.149 377 A CA 0.487 52.486 52.037 -0.064 0.000 0.822 377 A CB 1.013 20.008 19.000 -0.008 0.000 1.131 377 A HN 1.686 nan 8.150 nan 0.000 0.493 378 G N -0.432 108.312 108.800 -0.094 0.000 2.572 378 G HA2 0.507 4.467 3.960 0.001 0.000 0.261 378 G HA3 0.507 4.467 3.960 0.001 0.000 0.261 378 G C -0.717 174.162 174.900 -0.036 0.000 1.197 378 G CA -0.195 44.823 45.100 -0.136 0.000 0.870 378 G HN 1.025 nan 8.290 nan 0.000 0.548 379 V N 0.283 120.222 119.914 0.042 0.000 2.668 379 V HA 0.491 4.611 4.120 0.001 0.000 0.304 379 V C -0.321 175.965 176.094 0.321 0.000 1.071 379 V CA -0.882 61.503 62.300 0.142 0.000 0.894 379 V CB 1.980 33.847 31.823 0.073 0.000 1.008 379 V HN 1.007 nan 8.190 nan 0.000 0.425 380 S N 3.831 119.736 115.700 0.342 0.000 2.594 380 S HA 0.580 5.051 4.470 0.001 0.000 0.322 380 S C -0.897 173.822 174.600 0.199 0.000 1.085 380 S CA -0.591 57.782 58.200 0.289 0.000 1.116 380 S CB 0.659 64.018 63.200 0.265 0.000 0.979 380 S HN 0.685 nan 8.310 nan 0.000 0.465 381 Y N 3.828 124.113 120.300 -0.024 0.000 2.511 381 Y HA 0.216 4.767 4.550 0.001 0.000 0.332 381 Y C 0.004 175.988 175.900 0.139 0.000 1.177 381 Y CA -0.286 57.769 58.100 -0.076 0.000 1.422 381 Y CB 0.494 38.794 38.460 -0.268 0.000 1.271 381 Y HN 0.834 nan 8.280 nan 0.000 0.550 382 W N 8.652 129.653 121.300 -0.498 0.000 2.311 382 W HA 0.447 5.108 4.660 0.001 0.000 0.317 382 W C -1.148 175.415 176.519 0.074 0.000 1.065 382 W CA -0.063 57.220 57.345 -0.103 0.000 1.364 382 W CB 0.646 30.115 29.460 0.015 0.000 1.233 382 W HN 0.784 nan 8.180 nan 0.000 0.409 383 S N 1.586 117.331 115.700 0.074 0.000 2.727 383 S HA 0.261 4.732 4.470 0.001 0.000 0.278 383 S C 0.572 175.186 174.600 0.023 0.000 1.186 383 S CA -0.054 58.011 58.200 -0.223 0.000 0.836 383 S CB 1.224 63.652 63.200 -1.286 0.000 1.186 383 S HN 0.354 nan 8.310 nan 0.000 0.499 384 S N -0.589 115.002 115.700 -0.181 0.000 2.522 384 S HA 0.116 4.587 4.470 0.001 0.000 0.227 384 S C -0.047 174.452 174.600 -0.168 0.000 0.986 384 S CA 0.329 58.329 58.200 -0.334 0.000 0.929 384 S CB -1.071 61.917 63.200 -0.354 0.000 0.769 384 S HN 0.708 nan 8.310 nan 0.000 0.529 385 D N 4.299 124.575 120.400 -0.205 0.000 2.472 385 D HA 0.206 4.847 4.640 0.001 0.000 0.237 385 D C -2.316 173.964 176.300 -0.034 0.000 1.141 385 D CA -0.633 53.288 54.000 -0.132 0.000 0.875 385 D CB 0.306 40.977 40.800 -0.215 0.000 1.192 385 D HN 0.254 nan 8.370 nan 0.000 0.450 386 P HA 0.269 nan 4.420 nan 0.000 0.268 386 P C 0.115 177.444 177.300 0.047 0.000 1.204 386 P CA -0.161 62.968 63.100 0.048 0.000 0.768 386 P CB 1.066 32.788 31.700 0.037 0.000 0.842 387 G N 3.434 112.285 108.800 0.085 0.000 2.359 387 G HA2 0.046 4.007 3.960 0.001 0.000 0.314 387 G HA3 0.046 4.007 3.960 0.001 0.000 0.314 387 G C -2.685 172.317 174.900 0.169 0.000 1.364 387 G CA -0.655 44.512 45.100 0.112 0.000 0.978 387 G HN 0.220 nan 8.290 nan 0.000 0.615 388 P HA -0.020 nan 4.420 nan 0.000 0.225 388 P C 1.061 178.541 177.300 0.299 0.000 1.148 388 P CA 1.156 64.388 63.100 0.220 0.000 0.779 388 P CB 0.118 31.947 31.700 0.215 0.000 0.780 389 W N 1.125 122.498 121.300 0.122 0.000 2.518 389 W HA 0.181 4.842 4.660 0.001 0.000 0.273 389 W C 1.778 178.441 176.519 0.239 0.000 1.247 389 W CA 1.216 58.683 57.345 0.202 0.000 1.288 389 W CB -0.923 28.671 29.460 0.222 0.000 1.107 389 W HN -0.105 nan 8.180 nan 0.000 0.586 390 G N -0.137 108.869 108.800 0.343 0.000 2.557 390 G HA2 0.262 4.223 3.960 0.001 0.000 0.302 390 G HA3 0.262 4.223 3.960 0.001 0.000 0.302 390 G C -1.751 173.135 174.900 -0.023 0.000 1.311 390 G CA -0.798 44.408 45.100 0.177 0.000 1.030 390 G HN -0.220 nan 8.290 nan 0.000 0.509 391 P HA 0.035 nan 4.420 nan 0.000 0.225 391 P C -0.700 176.142 177.300 -0.764 0.000 1.156 391 P CA 0.987 63.770 63.100 -0.527 0.000 0.787 391 P CB 0.146 31.393 31.700 -0.755 0.000 0.802 392 Y N -1.227 119.052 120.300 -0.035 0.000 2.477 392 Y HA 0.386 4.936 4.550 0.001 0.000 0.347 392 Y C 0.866 176.769 175.900 0.005 0.000 0.981 392 Y CA -1.323 56.768 58.100 -0.015 0.000 1.033 392 Y CB 1.145 39.587 38.460 -0.031 0.000 1.245 392 Y HN -0.322 nan 8.280 nan 0.000 0.455 393 L N 3.746 125.063 121.223 0.157 0.000 2.472 393 L HA 0.199 4.540 4.340 0.001 0.000 0.260 393 L C -1.395 175.531 176.870 0.095 0.000 1.209 393 L CA -1.596 53.308 54.840 0.108 0.000 0.817 393 L CB 0.440 42.549 42.059 0.083 0.000 1.106 393 L HN 0.443 nan 8.230 nan 0.000 0.479 394 P HA -0.204 nan 4.420 nan 0.000 0.217 394 P C 0.601 177.912 177.300 0.020 0.000 1.151 394 P CA 1.344 64.465 63.100 0.035 0.000 0.849 394 P CB -0.036 31.679 31.700 0.025 0.000 0.787 395 D N -2.135 118.280 120.400 0.025 0.000 2.336 395 D HA 0.070 4.711 4.640 0.001 0.000 0.229 395 D C 1.374 177.677 176.300 0.004 0.000 1.061 395 D CA 0.667 54.672 54.000 0.010 0.000 0.875 395 D CB -0.874 39.934 40.800 0.013 0.000 0.904 395 D HN 0.267 nan 8.370 nan 0.000 0.525 396 G N -0.630 108.183 108.800 0.022 0.000 2.176 396 G HA2 -0.250 3.711 3.960 0.001 0.000 0.232 396 G HA3 -0.250 3.711 3.960 0.001 0.000 0.232 396 G C 0.396 175.362 174.900 0.110 0.000 0.986 396 G CA 0.169 45.270 45.100 0.001 0.000 0.643 396 G HN 0.445 nan 8.290 nan 0.000 0.522 397 T N 2.241 116.865 114.554 0.116 0.000 2.888 397 T HA 0.400 4.751 4.350 0.001 0.000 0.301 397 T C 0.636 175.445 174.700 0.182 0.000 1.001 397 T CA 0.214 62.389 62.100 0.125 0.000 1.147 397 T CB 0.977 69.891 68.868 0.076 0.000 0.931 397 T HN 0.441 nan 8.240 nan 0.000 0.541 398 Q N 2.083 121.982 119.800 0.165 0.000 2.337 398 Q HA 0.265 4.606 4.340 0.001 0.000 0.270 398 Q C 1.034 177.028 176.000 -0.011 0.000 1.002 398 Q CA -0.314 55.522 55.803 0.054 0.000 0.888 398 Q CB 0.565 29.327 28.738 0.040 0.000 1.222 398 Q HN 0.801 nan 8.270 nan 0.000 0.400 399 T N -1.189 113.312 114.554 -0.087 0.000 2.849 399 T HA 0.144 4.495 4.350 0.001 0.000 0.276 399 T C 1.014 175.679 174.700 -0.059 0.000 0.971 399 T CA -0.814 61.257 62.100 -0.049 0.000 0.949 399 T CB 0.484 69.325 68.868 -0.044 0.000 1.093 399 T HN 0.549 nan 8.240 nan 0.000 0.545 400 L N 0.155 121.360 121.223 -0.031 0.000 2.137 400 L HA -0.039 4.302 4.340 0.001 0.000 0.213 400 L C 2.142 178.979 176.870 -0.055 0.000 1.085 400 L CA 1.582 56.406 54.840 -0.026 0.000 0.760 400 L CB -1.274 40.783 42.059 -0.003 0.000 0.893 400 L HN 0.711 nan 8.230 nan 0.000 0.434 401 L N -1.432 119.733 121.223 -0.096 0.000 2.083 401 L HA -0.164 4.177 4.340 0.001 0.000 0.209 401 L C 2.398 179.194 176.870 -0.123 0.000 1.083 401 L CA 1.653 56.408 54.840 -0.142 0.000 0.752 401 L CB -0.587 41.343 42.059 -0.214 0.000 0.899 401 L HN 0.153 nan 8.230 nan 0.000 0.433 402 V N -0.487 119.348 119.914 -0.132 0.000 2.237 402 V HA -0.304 3.817 4.120 0.001 0.000 0.245 402 V C 2.202 178.276 176.094 -0.033 0.000 1.046 402 V CA 2.052 64.296 62.300 -0.093 0.000 1.007 402 V CB -0.705 31.052 31.823 -0.111 0.000 0.638 402 V HN 0.400 nan 8.190 nan 0.000 0.445 403 D N -0.241 120.145 120.400 -0.022 0.000 2.178 403 D HA -0.113 4.528 4.640 0.001 0.000 0.202 403 D C 2.280 178.574 176.300 -0.010 0.000 0.974 403 D CA 1.639 55.640 54.000 0.003 0.000 0.841 403 D CB -0.351 40.454 40.800 0.009 0.000 0.953 403 D HN 0.429 nan 8.370 nan 0.000 0.478 404 T N 0.679 115.211 114.554 -0.037 0.000 2.777 404 T HA -0.030 4.321 4.350 0.001 0.000 0.266 404 T C 2.083 176.712 174.700 -0.118 0.000 1.040 404 T CA 0.589 62.655 62.100 -0.057 0.000 1.141 404 T CB -0.092 68.744 68.868 -0.052 0.000 0.868 404 T HN 0.151 nan 8.240 nan 0.000 0.444 405 L N 0.778 121.910 121.223 -0.152 0.000 2.341 405 L HA 0.161 4.502 4.340 0.001 0.000 0.214 405 L C 1.220 178.032 176.870 -0.097 0.000 1.115 405 L CA 0.259 54.954 54.840 -0.242 0.000 0.820 405 L CB -0.403 41.507 42.059 -0.250 0.000 0.944 405 L HN 0.153 nan 8.230 nan 0.000 0.452 406 N N 1.806 120.511 118.700 0.009 0.000 3.050 406 N HA 0.043 4.783 4.740 0.001 0.000 0.289 406 N C -0.674 174.952 175.510 0.194 0.000 1.209 406 N CA 0.355 53.488 53.050 0.137 0.000 1.154 406 N CB 0.087 38.657 38.487 0.137 0.000 1.444 406 N HN -0.001 nan 8.380 nan 0.000 0.529 407 K N 1.386 121.925 120.400 0.233 0.000 2.395 407 K HA 0.546 4.867 4.320 0.001 0.000 0.247 407 K C -2.696 174.130 176.600 0.376 0.000 0.973 407 K CA -2.118 54.314 56.287 0.241 0.000 0.828 407 K CB 1.166 33.766 32.500 0.167 0.000 1.272 407 K HN 0.135 nan 8.250 nan 0.000 0.439 408 P HA 0.083 nan 4.420 nan 0.000 0.268 408 P C -1.085 176.417 177.300 0.337 0.000 1.205 408 P CA 0.221 63.416 63.100 0.158 0.000 0.771 408 P CB 0.055 31.768 31.700 0.021 0.000 0.858 409 Y N 0.249 120.559 120.300 0.017 0.000 2.581 409 Y HA 0.686 5.237 4.550 0.001 0.000 0.337 409 Y C -3.265 172.414 175.900 -0.369 0.000 1.108 409 Y CA -3.619 54.325 58.100 -0.261 0.000 1.033 409 Y CB 0.242 38.614 38.460 -0.146 0.000 1.318 409 Y HN 0.149 nan 8.280 nan 0.000 0.459 410 P HA 0.430 nan 4.420 nan 0.000 0.281 410 P C -0.319 176.712 177.300 -0.449 0.000 1.252 410 P CA -0.259 62.497 63.100 -0.574 0.000 0.778 410 P CB 1.609 32.936 31.700 -0.622 0.000 0.895 411 R N 2.551 122.804 120.500 -0.410 0.000 2.087 411 R HA 0.370 4.711 4.340 0.001 0.000 0.216 411 R C 0.354 176.577 176.300 -0.127 0.000 1.114 411 R CA 0.721 56.685 56.100 -0.226 0.000 1.002 411 R CB 0.181 30.343 30.300 -0.230 0.000 0.903 411 R HN 0.490 nan 8.270 nan 0.000 0.445 412 A N 0.901 123.629 122.820 -0.153 0.000 2.414 412 A HA 0.502 4.823 4.320 0.001 0.000 0.286 412 A C -1.038 176.459 177.584 -0.145 0.000 1.073 412 A CA -0.583 51.382 52.037 -0.120 0.000 0.727 412 A CB 1.534 20.491 19.000 -0.072 0.000 1.215 412 A HN -0.031 nan 8.150 nan 0.000 0.430 413 V N 1.847 121.658 119.914 -0.172 0.000 2.435 413 V HA 0.589 4.709 4.120 0.001 0.000 0.290 413 V C 0.929 176.945 176.094 -0.130 0.000 1.030 413 V CA -0.111 62.083 62.300 -0.176 0.000 0.881 413 V CB 1.671 33.352 31.823 -0.237 0.000 0.983 413 V HN 1.193 nan 8.190 nan 0.000 0.445 414 A N 4.082 126.842 122.820 -0.101 0.000 3.026 414 A HA 0.680 5.001 4.320 0.001 0.000 0.272 414 A C 0.870 178.414 177.584 -0.067 0.000 1.782 414 A CA 0.671 52.666 52.037 -0.070 0.000 1.451 414 A CB -1.077 17.890 19.000 -0.055 0.000 1.081 414 A HN 1.778 nan 8.150 nan 0.000 0.611 415 G N -0.272 108.483 108.800 -0.076 0.000 2.343 415 G HA2 0.205 4.166 3.960 0.001 0.000 0.465 415 G HA3 0.205 4.166 3.960 0.001 0.000 0.465 415 G C -0.501 174.330 174.900 -0.114 0.000 1.282 415 G CA -0.486 44.573 45.100 -0.068 0.000 0.996 415 G HN 0.584 nan 8.290 nan 0.000 0.521 416 T N 3.479 117.983 114.554 -0.083 0.000 2.749 416 T HA 0.574 4.925 4.350 0.001 0.000 0.295 416 T C -2.288 172.347 174.700 -0.108 0.000 0.936 416 T CA -0.569 61.463 62.100 -0.114 0.000 1.060 416 T CB 1.570 70.444 68.868 0.009 0.000 0.904 416 T HN 0.490 nan 8.240 nan 0.000 0.500 417 P HA 0.160 nan 4.420 nan 0.000 0.276 417 P C 0.947 178.305 177.300 0.096 0.000 1.253 417 P CA -0.299 62.768 63.100 -0.054 0.000 0.766 417 P CB 0.767 32.407 31.700 -0.101 0.000 0.845 418 T N -0.050 114.566 114.554 0.104 0.000 3.009 418 T HA 0.074 4.425 4.350 0.001 0.000 0.258 418 T C 0.427 175.208 174.700 0.135 0.000 1.063 418 T CA 0.529 62.698 62.100 0.116 0.000 1.139 418 T CB 0.256 69.168 68.868 0.073 0.000 0.890 418 T HN 0.478 nan 8.240 nan 0.000 0.471 419 E N -0.245 120.053 120.200 0.164 0.000 2.380 419 E HA 0.410 4.760 4.350 0.001 0.000 0.281 419 E C -1.938 174.829 176.600 0.278 0.000 0.999 419 E CA -1.006 55.483 56.400 0.149 0.000 0.800 419 E CB 2.091 31.835 29.700 0.072 0.000 1.228 419 E HN 0.486 nan 8.360 nan 0.000 0.436 420 W N 1.096 122.418 121.300 0.036 0.000 3.025 420 W HA 0.694 5.355 4.660 0.001 0.000 0.343 420 W C -1.617 174.927 176.519 0.040 0.000 1.246 420 W CA -0.703 56.661 57.345 0.032 0.000 1.178 420 W CB 0.622 30.102 29.460 0.034 0.000 1.463 420 W HN 0.591 nan 8.180 nan 0.000 0.578 421 S N 0.798 116.664 115.700 0.276 0.000 2.570 421 S HA 0.804 5.274 4.470 0.001 0.000 0.270 421 S C -0.924 173.848 174.600 0.286 0.000 1.149 421 S CA -0.377 57.882 58.200 0.099 0.000 0.837 421 S CB 1.715 64.936 63.200 0.036 0.000 1.124 421 S HN 1.333 nan 8.310 nan 0.000 0.465 422 S N 0.078 115.904 115.700 0.211 0.000 2.550 422 S HA 0.883 5.353 4.470 0.001 0.000 0.270 422 S C -0.488 174.201 174.600 0.149 0.000 1.145 422 S CA -0.177 58.164 58.200 0.235 0.000 0.852 422 S CB 1.282 64.697 63.200 0.358 0.000 1.119 422 S HN 1.773 nan 8.310 nan 0.000 0.465 423 T N -1.081 113.555 114.554 0.138 0.000 2.742 423 T HA 0.599 4.949 4.350 0.001 0.000 0.282 423 T C 1.075 175.845 174.700 0.117 0.000 1.025 423 T CA -0.174 61.984 62.100 0.097 0.000 1.020 423 T CB 0.805 69.707 68.868 0.057 0.000 1.317 423 T HN 0.548 nan 8.240 nan 0.000 0.538 424 S N 1.227 116.972 115.700 0.075 0.000 2.402 424 S HA -0.088 4.383 4.470 0.001 0.000 0.233 424 S C 0.981 175.611 174.600 0.051 0.000 1.030 424 S CA 1.764 60.007 58.200 0.072 0.000 1.003 424 S CB -0.548 62.668 63.200 0.026 0.000 0.813 424 S HN 0.955 nan 8.310 nan 0.000 0.477 425 D N -0.543 119.833 120.400 -0.040 0.000 2.720 425 D HA 0.269 4.910 4.640 0.001 0.000 0.285 425 D C 0.077 176.287 176.300 -0.151 0.000 1.359 425 D CA -0.367 53.440 54.000 -0.320 0.000 0.818 425 D CB -0.067 40.508 40.800 -0.375 0.000 1.108 425 D HN 0.152 nan 8.370 nan 0.000 0.474 426 R N -0.151 120.447 120.500 0.164 0.000 2.579 426 R HA 0.582 4.923 4.340 0.001 0.000 0.260 426 R C -2.295 174.144 176.300 0.233 0.000 1.103 426 R CA -0.811 55.417 56.100 0.214 0.000 0.942 426 R CB 1.534 31.890 30.300 0.094 0.000 1.251 426 R HN 0.148 nan 8.270 nan 0.000 0.450 427 L N 2.633 123.970 121.223 0.191 0.000 2.408 427 L HA 0.555 4.896 4.340 0.001 0.000 0.268 427 L C -1.505 175.426 176.870 0.103 0.000 0.986 427 L CA -0.300 54.621 54.840 0.136 0.000 0.820 427 L CB 2.106 44.185 42.059 0.033 0.000 1.303 427 L HN 0.754 nan 8.230 nan 0.000 0.411 428 Q N 3.841 123.725 119.800 0.141 0.000 2.347 428 Q HA 0.644 4.985 4.340 0.001 0.000 0.271 428 Q C -2.071 174.025 176.000 0.161 0.000 1.064 428 Q CA -0.792 55.077 55.803 0.110 0.000 0.800 428 Q CB 2.481 31.277 28.738 0.095 0.000 1.304 428 Q HN 0.667 nan 8.270 nan 0.000 0.438 429 L N 2.129 123.411 121.223 0.099 0.000 2.464 429 L HA 0.614 4.955 4.340 0.001 0.000 0.266 429 L C -1.530 175.378 176.870 0.063 0.000 0.965 429 L CA 0.121 55.027 54.840 0.110 0.000 0.833 429 L CB 2.618 44.675 42.059 -0.004 0.000 1.296 429 L HN 0.586 nan 8.230 nan 0.000 0.405 430 T N 6.127 120.732 114.554 0.086 0.000 2.794 430 T HA 0.690 5.040 4.350 0.001 0.000 0.280 430 T C -0.302 174.417 174.700 0.031 0.000 0.987 430 T CA -0.093 62.035 62.100 0.048 0.000 0.993 430 T CB 0.868 69.769 68.868 0.054 0.000 0.939 430 T HN 0.464 nan 8.240 nan 0.000 0.449 431 I N 2.207 122.779 120.570 0.002 0.000 2.465 431 I HA 0.341 4.511 4.170 0.001 0.000 0.291 431 I C 0.291 176.402 176.117 -0.010 0.000 1.014 431 I CA -0.826 60.463 61.300 -0.019 0.000 1.093 431 I CB 2.089 40.064 38.000 -0.042 0.000 1.267 431 I HN 0.563 nan 8.210 nan 0.000 0.431 432 E N 8.511 128.707 120.200 -0.007 0.000 2.105 432 E HA 0.285 4.635 4.350 0.001 0.000 0.285 432 E C -2.274 174.320 176.600 -0.010 0.000 1.055 432 E CA -1.815 54.585 56.400 -0.000 0.000 0.843 432 E CB 0.954 30.662 29.700 0.013 0.000 1.067 432 E HN 0.250 nan 8.360 nan 0.000 0.398 433 P HA 0.090 nan 4.420 nan 0.000 0.272 433 P C -0.830 176.464 177.300 -0.009 0.000 1.230 433 P CA -0.045 63.048 63.100 -0.013 0.000 0.788 433 P CB 0.779 32.473 31.700 -0.010 0.000 0.949 434 D N 0.233 120.626 120.400 -0.011 0.000 2.375 434 D HA 0.328 4.969 4.640 0.001 0.000 0.241 434 D C 0.715 177.011 176.300 -0.006 0.000 1.361 434 D CA -0.677 53.320 54.000 -0.006 0.000 0.995 434 D CB 1.208 42.005 40.800 -0.005 0.000 1.312 434 D HN 0.230 nan 8.370 nan 0.000 0.576 435 A N 2.928 125.746 122.820 -0.003 0.000 2.070 435 A HA 0.100 4.421 4.320 0.001 0.000 0.220 435 A C 1.966 179.548 177.584 -0.002 0.000 1.159 435 A CA 1.625 53.660 52.037 -0.004 0.000 0.656 435 A CB -0.155 18.844 19.000 -0.002 0.000 0.800 435 A HN 0.578 nan 8.150 nan 0.000 0.453 436 A N -0.354 122.466 122.820 0.000 0.000 2.066 436 A HA 0.209 4.530 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 0.305 52.344 52.037 0.003 0.000 0.670 436 A CB -0.349 18.654 19.000 0.006 0.000 0.804 436 A HN 0.461 nan 8.150 nan 0.000 0.453 437 I N 1.257 121.826 120.570 -0.002 0.000 2.396 437 I HA 0.069 4.240 4.170 0.001 0.000 0.289 437 I C 1.532 177.644 176.117 -0.008 0.000 1.056 437 I CA 0.246 61.542 61.300 -0.005 0.000 1.365 437 I CB 1.437 39.430 38.000 -0.012 0.000 1.407 437 I HN 0.323 nan 8.210 nan 0.000 0.509 438 T N 1.773 116.323 114.554 -0.005 0.000 3.014 438 T HA 0.278 4.629 4.350 0.001 0.000 0.250 438 T C 0.829 175.524 174.700 -0.009 0.000 1.060 438 T CA -0.138 61.959 62.100 -0.006 0.000 1.040 438 T CB 0.280 69.147 68.868 -0.002 0.000 0.971 438 T HN 0.552 nan 8.240 nan 0.000 0.497 439 A N 3.594 126.408 122.820 -0.009 0.000 2.386 439 A HA 0.614 4.935 4.320 0.001 0.000 0.248 439 A C -2.101 175.469 177.584 -0.022 0.000 1.082 439 A CA -1.477 50.553 52.037 -0.012 0.000 0.789 439 A CB -0.005 18.990 19.000 -0.009 0.000 1.025 439 A HN 0.355 nan 8.150 nan 0.000 0.490 440 P HA 0.224 nan 4.420 nan 0.000 0.276 440 P C -0.299 176.971 177.300 -0.051 0.000 1.252 440 P CA -0.183 62.896 63.100 -0.035 0.000 0.802 440 P CB 0.462 32.145 31.700 -0.027 0.000 1.035 441 T N 1.286 115.799 114.554 -0.068 0.000 2.901 441 T HA 0.117 4.468 4.350 0.001 0.000 0.301 441 T C 0.131 174.770 174.700 -0.101 0.000 1.012 441 T CA 0.227 62.269 62.100 -0.096 0.000 1.135 441 T CB 0.057 68.857 68.868 -0.114 0.000 0.936 441 T HN 0.411 nan 8.240 nan 0.000 0.539 442 E N 3.170 123.299 120.200 -0.118 0.000 2.176 442 E HA 0.536 4.886 4.350 0.001 0.000 0.267 442 E C -1.149 175.342 176.600 -0.182 0.000 0.893 442 E CA -0.574 55.759 56.400 -0.111 0.000 0.761 442 E CB 0.839 30.492 29.700 -0.078 0.000 1.133 442 E HN 0.525 nan 8.360 nan 0.000 0.409 443 I N 3.924 124.384 120.570 -0.184 0.000 2.582 443 I HA 0.226 4.396 4.170 0.001 0.000 0.292 443 I C -1.159 174.825 176.117 -0.221 0.000 1.066 443 I CA -1.128 60.005 61.300 -0.279 0.000 1.053 443 I CB 1.683 39.506 38.000 -0.296 0.000 1.241 443 I HN 0.557 nan 8.210 nan 0.000 0.421 444 Y N 6.933 126.949 120.300 -0.474 0.000 2.313 444 Y HA 0.646 5.197 4.550 0.001 0.000 0.332 444 Y C -1.308 174.435 175.900 -0.262 0.000 1.071 444 Y CA -0.605 57.297 58.100 -0.330 0.000 1.169 444 Y CB 0.777 38.967 38.460 -0.450 0.000 1.192 444 Y HN 0.341 nan 8.280 nan 0.000 0.487 445 L N 9.643 130.339 121.223 -0.879 0.000 2.372 445 L HA 0.456 4.797 4.340 0.001 0.000 0.274 445 L C -2.414 173.966 176.870 -0.816 0.000 0.988 445 L CA -2.269 52.010 54.840 -0.936 0.000 0.833 445 L CB 2.008 43.426 42.059 -1.068 0.000 1.236 445 L HN 0.545 nan 8.230 nan 0.000 0.410 446 P HA 0.020 nan 4.420 nan 0.000 0.271 446 P C 0.206 177.569 177.300 0.105 0.000 1.218 446 P CA -0.113 62.873 63.100 -0.191 0.000 0.780 446 P CB 1.310 33.033 31.700 0.038 0.000 0.901 447 E N 2.247 122.524 120.200 0.129 0.000 2.150 447 E HA -0.160 4.190 4.350 0.001 0.000 0.193 447 E C 1.951 178.635 176.600 0.141 0.000 0.985 447 E CA 1.131 57.630 56.400 0.164 0.000 0.814 447 E CB -0.368 29.404 29.700 0.120 0.000 0.752 447 E HN 0.498 nan 8.360 nan 0.000 0.466 448 A N 0.573 123.461 122.820 0.113 0.000 1.873 448 A HA -0.184 4.137 4.320 0.001 0.000 0.218 448 A C 2.352 179.959 177.584 0.039 0.000 1.193 448 A CA 2.045 54.126 52.037 0.073 0.000 0.629 448 A CB -1.161 17.881 19.000 0.070 0.000 0.826 448 A HN 0.441 nan 8.150 nan 0.000 0.447 449 G N -2.862 105.967 108.800 0.049 0.000 2.662 449 G HA2 0.303 4.264 3.960 0.001 0.000 0.212 449 G HA3 0.303 4.264 3.960 0.001 0.000 0.212 449 G C 0.197 174.872 174.900 -0.376 0.000 1.141 449 G CA 0.114 45.125 45.100 -0.147 0.000 0.797 449 G HN 0.340 nan 8.290 nan 0.000 0.531 450 F N 1.201 121.157 119.950 0.011 0.000 2.449 450 F HA 0.334 4.862 4.527 0.001 0.000 0.329 450 F C -1.525 174.347 175.800 0.120 0.000 1.245 450 F CA -2.321 55.703 58.000 0.039 0.000 1.193 450 F CB 2.130 41.127 39.000 -0.006 0.000 1.425 450 F HN -0.059 nan 8.300 nan 0.000 0.544 451 P HA 0.084 nan 4.420 nan 0.000 0.233 451 P C 0.892 178.294 177.300 0.171 0.000 1.167 451 P CA 0.832 64.019 63.100 0.145 0.000 0.770 451 P CB 0.887 32.629 31.700 0.070 0.000 0.837 452 G N -0.801 108.133 108.800 0.223 0.000 3.359 452 G HA2 0.189 4.149 3.960 0.001 0.000 0.187 452 G HA3 0.189 4.149 3.960 0.001 0.000 0.187 452 G C -0.929 174.217 174.900 0.410 0.000 1.294 452 G CA 0.038 45.278 45.100 0.232 0.000 0.769 452 G HN 0.016 nan 8.290 nan 0.000 0.733 453 D N -0.389 120.198 120.400 0.312 0.000 2.423 453 D HA 0.477 5.118 4.640 0.001 0.000 0.255 453 D C 0.430 176.815 176.300 0.143 0.000 1.174 453 D CA -0.119 54.082 54.000 0.335 0.000 1.008 453 D CB 1.666 42.594 40.800 0.213 0.000 1.101 453 D HN 0.406 nan 8.370 nan 0.000 0.516 454 V N -0.799 119.074 119.914 -0.068 0.000 2.881 454 V HA 0.479 4.600 4.120 0.001 0.000 0.316 454 V C -0.436 175.659 176.094 0.001 0.000 1.070 454 V CA -0.656 61.555 62.300 -0.148 0.000 0.976 454 V CB 1.734 33.237 31.823 -0.534 0.000 1.038 454 V HN 0.616 nan 8.190 nan 0.000 0.446 455 H N 2.066 121.106 119.070 -0.051 0.000 2.539 455 H HA 0.707 5.263 4.556 0.001 0.000 0.332 455 H C -1.818 173.481 175.328 -0.049 0.000 1.031 455 H CA -0.405 55.621 56.048 -0.037 0.000 1.206 455 H CB 1.968 31.720 29.762 -0.017 0.000 1.446 455 H HN 0.649 nan 8.280 nan 0.000 0.496 456 V N 6.112 125.739 119.914 -0.479 0.000 2.487 456 V HA 0.236 4.357 4.120 0.001 0.000 0.298 456 V C -0.205 175.655 176.094 -0.389 0.000 1.028 456 V CA -0.741 61.358 62.300 -0.336 0.000 0.860 456 V CB 1.812 33.498 31.823 -0.228 0.000 0.991 456 V HN 0.766 nan 8.190 nan 0.000 0.427 457 E N 2.632 122.685 120.200 -0.244 0.000 2.183 457 E HA 0.596 4.947 4.350 0.001 0.000 0.271 457 E C 0.824 177.371 176.600 -0.089 0.000 0.919 457 E CA 0.060 56.370 56.400 -0.150 0.000 0.781 457 E CB 1.937 31.599 29.700 -0.062 0.000 1.140 457 E HN 0.989 nan 8.360 nan 0.000 0.402 458 G N 1.649 110.407 108.800 -0.070 0.000 2.175 458 G HA2 -0.190 3.771 3.960 0.001 0.000 0.244 458 G HA3 -0.190 3.771 3.960 0.001 0.000 0.244 458 G C 0.048 174.914 174.900 -0.055 0.000 0.982 458 G CA 0.012 45.082 45.100 -0.049 0.000 0.641 458 G HN 0.812 nan 8.290 nan 0.000 0.527 459 A N -0.642 122.134 122.820 -0.074 0.000 2.609 459 A HA 0.685 5.005 4.320 0.001 0.000 0.291 459 A C -1.450 176.089 177.584 -0.075 0.000 1.096 459 A CA -0.348 51.647 52.037 -0.070 0.000 0.684 459 A CB 1.188 20.141 19.000 -0.078 0.000 1.282 459 A HN 0.109 nan 8.150 nan 0.000 0.412 460 D N 0.966 121.330 120.400 -0.060 0.000 2.210 460 D HA 0.410 5.051 4.640 0.001 0.000 0.249 460 D C -0.193 176.075 176.300 -0.053 0.000 1.078 460 D CA -0.004 53.964 54.000 -0.052 0.000 0.875 460 D CB 1.823 42.602 40.800 -0.034 0.000 1.175 460 D HN 0.197 nan 8.370 nan 0.000 0.440 461 V N 2.899 122.782 119.914 -0.052 0.000 2.479 461 V HA -0.022 4.099 4.120 0.001 0.000 0.281 461 V C 1.458 177.548 176.094 -0.008 0.000 1.031 461 V CA -0.107 62.170 62.300 -0.037 0.000 1.038 461 V CB 1.330 33.135 31.823 -0.030 0.000 0.981 461 V HN 0.406 nan 8.190 nan 0.000 0.478 462 V N 3.982 123.895 119.914 -0.000 0.000 2.575 462 V HA 0.398 4.518 4.120 0.001 0.000 0.242 462 V C 1.033 177.148 176.094 0.036 0.000 1.045 462 V CA 1.356 63.663 62.300 0.011 0.000 1.065 462 V CB 0.170 31.994 31.823 0.002 0.000 0.717 462 V HN 0.963 nan 8.190 nan 0.000 0.467 463 G N -1.723 107.114 108.800 0.063 0.000 2.703 463 G HA2 0.462 4.423 3.960 0.001 0.000 0.294 463 G HA3 0.462 4.423 3.960 0.001 0.000 0.294 463 G C -2.200 172.831 174.900 0.219 0.000 1.451 463 G CA -0.448 44.715 45.100 0.105 0.000 0.869 463 G HN 0.128 nan 8.290 nan 0.000 0.516 464 W N 3.443 124.726 121.300 -0.028 0.000 2.591 464 W HA 0.435 5.096 4.660 0.001 0.000 0.311 464 W C -1.697 174.811 176.519 -0.017 0.000 1.003 464 W CA -0.809 56.515 57.345 -0.034 0.000 1.332 464 W CB 1.749 31.190 29.460 -0.032 0.000 1.272 464 W HN 0.470 nan 8.180 nan 0.000 0.412 465 D N 5.229 125.480 120.400 -0.248 0.000 2.396 465 D HA 0.199 4.840 4.640 0.001 0.000 0.225 465 D C 1.062 176.854 176.300 -0.847 0.000 1.121 465 D CA -0.035 53.715 54.000 -0.417 0.000 0.853 465 D CB 1.080 41.793 40.800 -0.144 0.000 1.043 465 D HN 0.532 nan 8.370 nan 0.000 0.500 466 R N 2.176 122.126 120.500 -0.917 0.000 2.299 466 R HA 0.016 4.357 4.340 0.001 0.000 0.197 466 R C 1.545 177.620 176.300 -0.375 0.000 0.971 466 R CA 0.591 56.165 56.100 -0.877 0.000 1.030 466 R CB 0.550 30.477 30.300 -0.622 0.000 0.932 466 R HN 0.533 nan 8.270 nan 0.000 0.477 467 Q N -0.169 119.481 119.800 -0.249 0.000 2.200 467 Q HA -0.012 4.329 4.340 0.001 0.000 0.197 467 Q C 2.077 178.085 176.000 0.012 0.000 0.953 467 Q CA 1.402 57.152 55.803 -0.088 0.000 0.851 467 Q CB 0.263 28.963 28.738 -0.063 0.000 0.938 467 Q HN 0.274 nan 8.270 nan 0.000 0.488 468 S N 0.017 115.728 115.700 0.020 0.000 2.489 468 S HA -0.018 4.453 4.470 0.001 0.000 0.228 468 S C 0.617 175.370 174.600 0.255 0.000 0.995 468 S CA 0.079 58.389 58.200 0.183 0.000 0.934 468 S CB 0.172 63.442 63.200 0.116 0.000 0.771 468 S HN 0.212 nan 8.310 nan 0.000 0.522 469 R N -0.167 120.377 120.500 0.072 0.000 3.774 469 R HA -0.082 4.259 4.340 0.001 0.000 0.320 469 R C -1.029 175.465 176.300 0.323 0.000 1.175 469 R CA 0.556 56.747 56.100 0.151 0.000 0.849 469 R CB -2.896 27.568 30.300 0.273 0.000 1.365 469 R HN 0.543 nan 8.270 nan 0.000 0.502 470 L N 1.134 122.505 121.223 0.246 0.000 2.280 470 L HA 0.445 4.786 4.340 0.001 0.000 0.287 470 L C 0.364 177.447 176.870 0.355 0.000 1.023 470 L CA -1.010 53.976 54.840 0.243 0.000 0.819 470 L CB 1.281 43.424 42.059 0.139 0.000 1.212 470 L HN -0.083 nan 8.230 nan 0.000 0.420 471 L N 4.192 125.573 121.223 0.264 0.000 2.289 471 L HA 0.540 4.881 4.340 0.001 0.000 0.285 471 L C 0.188 177.069 176.870 0.018 0.000 1.049 471 L CA 0.319 55.247 54.840 0.147 0.000 0.804 471 L CB 1.627 43.547 42.059 -0.232 0.000 1.195 471 L HN 0.651 nan 8.230 nan 0.000 0.428 472 T N 3.256 117.831 114.554 0.034 0.000 2.807 472 T HA 0.745 5.096 4.350 0.001 0.000 0.279 472 T C -0.344 174.337 174.700 -0.032 0.000 0.993 472 T CA -0.493 61.600 62.100 -0.011 0.000 0.970 472 T CB 1.339 70.212 68.868 0.008 0.000 0.950 472 T HN 0.730 nan 8.240 nan 0.000 0.441 473 V N 0.371 120.249 119.914 -0.059 0.000 3.102 473 V HA 0.843 4.964 4.120 0.001 0.000 0.312 473 V C -0.716 175.345 176.094 -0.055 0.000 1.135 473 V CA -1.523 60.738 62.300 -0.064 0.000 1.022 473 V CB 2.115 33.882 31.823 -0.093 0.000 1.056 473 V HN 1.115 nan 8.190 nan 0.000 0.436 474 R N 1.215 121.686 120.500 -0.049 0.000 2.561 474 R HA 0.778 5.118 4.340 0.001 0.000 0.297 474 R C -0.642 175.633 176.300 -0.042 0.000 0.969 474 R CA 0.168 56.244 56.100 -0.040 0.000 0.879 474 R CB 2.042 32.325 30.300 -0.029 0.000 1.178 474 R HN 1.176 nan 8.270 nan 0.000 0.445 475 T N 1.289 115.820 114.554 -0.039 0.000 2.908 475 T HA 0.588 4.938 4.350 0.001 0.000 0.290 475 T C -2.314 172.370 174.700 -0.027 0.000 1.034 475 T CA -1.712 60.366 62.100 -0.036 0.000 1.010 475 T CB 1.631 70.475 68.868 -0.040 0.000 1.068 475 T HN 0.409 nan 8.240 nan 0.000 0.481 476 P HA 0.428 nan 4.420 nan 0.000 0.272 476 P C 0.045 177.336 177.300 -0.015 0.000 1.223 476 P CA -0.639 62.451 63.100 -0.017 0.000 0.784 476 P CB 0.819 32.510 31.700 -0.014 0.000 0.923 477 A N 1.226 124.039 122.820 -0.012 0.000 2.390 477 A HA 0.084 4.404 4.320 0.001 0.000 0.232 477 A C 0.785 178.365 177.584 -0.007 0.000 1.233 477 A CA 0.165 52.196 52.037 -0.010 0.000 0.907 477 A CB -0.250 18.744 19.000 -0.009 0.000 0.967 477 A HN 0.588 nan 8.150 nan 0.000 0.512 478 D N -1.497 118.899 120.400 -0.006 0.000 2.538 478 D HA 0.200 4.841 4.640 0.001 0.000 0.231 478 D C 0.093 176.391 176.300 -0.003 0.000 1.229 478 D CA 0.228 54.225 54.000 -0.004 0.000 0.828 478 D CB -0.197 40.601 40.800 -0.003 0.000 1.035 478 D HN -0.008 nan 8.370 nan 0.000 0.495 479 S N -0.195 115.502 115.700 -0.004 0.000 2.843 479 S HA 0.585 5.055 4.470 0.001 0.000 0.249 479 S C 0.768 175.367 174.600 -0.002 0.000 1.047 479 S CA -0.201 57.997 58.200 -0.003 0.000 1.042 479 S CB 0.913 64.110 63.200 -0.005 0.000 0.936 479 S HN 0.728 nan 8.310 nan 0.000 0.531 480 G N 2.681 111.480 108.800 -0.001 0.000 2.698 480 G HA2 -0.231 3.730 3.960 0.001 0.000 0.233 480 G HA3 -0.231 3.730 3.960 0.001 0.000 0.233 480 G C -0.763 174.137 174.900 0.000 0.000 1.352 480 G CA -0.892 44.209 45.100 0.001 0.000 0.879 480 G HN 0.394 nan 8.290 nan 0.000 0.567 481 N N -0.494 118.208 118.700 0.003 0.000 2.492 481 N HA 0.393 5.134 4.740 0.001 0.000 0.262 481 N C 0.168 175.678 175.510 0.001 0.000 1.202 481 N CA 0.081 53.133 53.050 0.004 0.000 0.926 481 N CB 1.354 39.848 38.487 0.011 0.000 1.078 481 N HN 0.672 nan 8.380 nan 0.000 0.454 482 V N 1.786 121.698 119.914 -0.003 0.000 2.459 482 V HA 0.354 4.475 4.120 0.001 0.000 0.295 482 V C 0.209 176.300 176.094 -0.005 0.000 1.029 482 V CA -0.658 61.637 62.300 -0.008 0.000 0.874 482 V CB 1.835 33.647 31.823 -0.017 0.000 0.985 482 V HN 0.577 nan 8.190 nan 0.000 0.438 483 T N 4.531 119.083 114.554 -0.002 0.000 2.749 483 T HA 0.536 4.886 4.350 0.001 0.000 0.287 483 T C -0.286 174.409 174.700 -0.008 0.000 0.970 483 T CA -0.278 61.824 62.100 0.004 0.000 0.980 483 T CB 1.297 70.174 68.868 0.015 0.000 0.924 483 T HN 0.368 nan 8.240 nan 0.000 0.456 484 V N 4.203 124.109 119.914 -0.014 0.000 2.398 484 V HA 0.541 4.662 4.120 0.001 0.000 0.286 484 V C 0.215 176.296 176.094 -0.021 0.000 1.026 484 V CA -0.695 61.584 62.300 -0.036 0.000 0.868 484 V CB 1.739 33.526 31.823 -0.061 0.000 0.982 484 V HN 0.943 nan 8.190 nan 0.000 0.443 485 T N 4.154 118.693 114.554 -0.026 0.000 2.812 485 T HA 0.614 4.965 4.350 0.001 0.000 0.282 485 T C -0.554 174.139 174.700 -0.013 0.000 0.990 485 T CA -0.451 61.651 62.100 0.003 0.000 0.960 485 T CB 1.689 70.575 68.868 0.029 0.000 0.948 485 T HN 0.348 nan 8.240 nan 0.000 0.438 486 V N 4.042 123.962 119.914 0.009 0.000 2.444 486 V HA 0.768 4.888 4.120 0.001 0.000 0.294 486 V C 0.286 176.491 176.094 0.185 0.000 1.022 486 V CA -0.753 61.551 62.300 0.007 0.000 0.850 486 V CB 1.514 33.253 31.823 -0.140 0.000 0.992 486 V HN 1.132 nan 8.190 nan 0.000 0.426 487 T N 3.245 117.939 114.554 0.233 0.000 2.865 487 T HA 0.714 5.065 4.350 0.001 0.000 0.294 487 T C -3.213 171.599 174.700 0.187 0.000 1.119 487 T CA -2.519 59.707 62.100 0.211 0.000 1.007 487 T CB 2.411 71.336 68.868 0.096 0.000 1.225 487 T HN 0.341 nan 8.240 nan 0.000 0.515 488 P HA 0.438 nan 4.420 nan 0.000 0.275 488 P C -0.354 176.945 177.300 -0.002 0.000 1.227 488 P CA -0.303 62.737 63.100 -0.099 0.000 0.781 488 P CB 0.164 31.672 31.700 -0.321 0.000 0.906 489 A N 2.938 125.791 122.820 0.056 0.000 2.466 489 A HA 0.447 4.768 4.320 0.001 0.000 0.238 489 A C 0.734 178.316 177.584 -0.004 0.000 1.074 489 A CA 0.238 52.305 52.037 0.049 0.000 0.774 489 A CB -0.426 18.623 19.000 0.082 0.000 1.015 489 A HN 0.615 nan 8.150 nan 0.000 0.498 490 A N 0.000 122.803 122.820 -0.029 0.000 2.254 490 A HA 0.000 4.321 4.320 0.001 0.000 0.244 490 A CA 0.000 52.012 52.037 -0.042 0.000 0.836 490 A CB 0.000 18.960 19.000 -0.067 0.000 0.831 490 A HN 0.000 nan 8.150 nan 0.000 0.486