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_B DATA FIRST_RESID 43 DATA SEQUENCE PSYLKDDDGR SLILRGFNTA SSAKSAPDGM PQFTEADLAR EYADMGTNFV DATA SEQUENCE RFLISWRSVE PAPGVYDQQY LDRVEDRVGW YAERGYKVML DMHQDVYSGA DATA SEQUENCE ITPXXXXXXG AGAIGNGAPA WATYMDGLPV EPQPRWELYY IQPGVMRAFD DATA SEQUENCE NFWNTTGKHP ELVEHYAKAW RAVADRFADN DAVVAYDLMN EPFGGSLQGP DATA SEQUENCE AFEAGPLAAM YQRTTDAIRQ VDQDTWVCVA PQAIGVNQGL PSGLTKIDDP DATA SEQUENCE RAGQQRIAYC PHLYPLPLDX XXXHEGLART LTDVTIDAWR ANTAHTARVL DATA SEQUENCE GDVPIILGEF GLDTTLPGAR DYIERVYGTA REMGAGVSYW SSDPGPWGPY DATA SEQUENCE LPDGTQTLLV DTLNKPYPRA VAGTPTEWSS TSDRLQLTIE PDAAITAPTE DATA SEQUENCE IYLPEAGFPG DVHVEGADVV GWDRQSRLLT VRTPADSGNV TVTVTPAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 43 P HA 0.000 nan 4.420 nan 0.000 0.216 43 P C 0.000 177.220 177.300 -0.133 0.000 1.155 43 P CA 0.000 63.029 63.100 -0.118 0.000 0.800 43 P CB 0.000 31.564 31.700 -0.227 0.000 0.726 44 S N 0.222 115.782 115.700 -0.233 0.000 2.608 44 S HA 0.777 5.246 4.470 -0.002 0.000 0.291 44 S C -1.146 173.220 174.600 -0.389 0.000 1.146 44 S CA -0.462 57.653 58.200 -0.141 0.000 1.043 44 S CB 0.533 63.702 63.200 -0.052 0.000 1.037 44 S HN 0.338 nan 8.310 nan 0.000 0.520 45 Y N 0.566 120.809 120.300 -0.095 0.000 2.499 45 Y HA 0.489 5.038 4.550 -0.002 0.000 0.347 45 Y C -0.319 175.388 175.900 -0.322 0.000 0.987 45 Y CA -1.116 56.875 58.100 -0.183 0.000 1.044 45 Y CB 0.757 39.154 38.460 -0.104 0.000 1.245 45 Y HN 0.383 nan 8.280 nan 0.000 0.461 46 L N 3.830 124.795 121.223 -0.429 0.000 2.483 46 L HA 0.143 4.482 4.340 -0.002 0.000 0.276 46 L C -0.146 176.654 176.870 -0.116 0.000 1.213 46 L CA 0.270 54.710 54.840 -0.666 0.000 0.843 46 L CB 0.060 41.604 42.059 -0.858 0.000 1.107 46 L HN 0.441 nan 8.230 nan 0.000 0.487 47 K N 1.301 121.765 120.400 0.105 0.000 2.267 47 K HA 0.419 4.738 4.320 -0.002 0.000 0.246 47 K C -0.806 175.877 176.600 0.137 0.000 0.954 47 K CA -0.906 55.459 56.287 0.130 0.000 0.824 47 K CB 1.665 34.272 32.500 0.179 0.000 1.167 47 K HN 0.607 nan 8.250 nan 0.000 0.431 48 D N -0.570 119.878 120.400 0.080 0.000 2.478 48 D HA 0.090 4.729 4.640 -0.002 0.000 0.269 48 D C 0.171 176.518 176.300 0.079 0.000 1.232 48 D CA -0.241 53.806 54.000 0.079 0.000 1.059 48 D CB 0.403 41.232 40.800 0.048 0.000 1.104 48 D HN 0.255 nan 8.370 nan 0.000 0.566 49 D N -1.262 119.177 120.400 0.066 0.000 2.350 49 D HA -0.054 4.585 4.640 -0.002 0.000 0.216 49 D C 0.504 176.828 176.300 0.040 0.000 0.968 49 D CA 0.668 54.700 54.000 0.054 0.000 0.894 49 D CB -0.053 40.776 40.800 0.048 0.000 0.909 49 D HN 0.352 nan 8.370 nan 0.000 0.520 50 D N -0.814 119.606 120.400 0.033 0.000 2.339 50 D HA 0.112 4.751 4.640 -0.002 0.000 0.217 50 D C 1.511 177.823 176.300 0.020 0.000 1.050 50 D CA 0.593 54.606 54.000 0.021 0.000 0.856 50 D CB 0.755 41.562 40.800 0.012 0.000 0.922 50 D HN 0.253 nan 8.370 nan 0.000 0.518 51 G N 1.647 110.466 108.800 0.032 0.000 2.157 51 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.248 51 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.248 51 G C 0.320 175.231 174.900 0.018 0.000 0.979 51 G CA -0.378 44.743 45.100 0.035 0.000 0.650 51 G HN 0.257 nan 8.290 nan 0.000 0.529 52 R N 0.653 121.155 120.500 0.003 0.000 2.490 52 R HA 0.498 4.837 4.340 -0.002 0.000 0.280 52 R C 0.211 176.485 176.300 -0.043 0.000 1.077 52 R CA -0.014 56.066 56.100 -0.033 0.000 1.065 52 R CB 0.768 31.042 30.300 -0.043 0.000 1.003 52 R HN 0.193 nan 8.270 nan 0.000 0.470 53 S N 2.873 118.508 115.700 -0.107 0.000 2.523 53 S HA 0.221 4.690 4.470 -0.002 0.000 0.275 53 S C 0.013 174.511 174.600 -0.169 0.000 1.281 53 S CA -0.534 57.569 58.200 -0.161 0.000 1.050 53 S CB 0.450 63.412 63.200 -0.397 0.000 0.937 53 S HN 0.305 nan 8.310 nan 0.000 0.492 54 L N 4.155 125.340 121.223 -0.064 0.000 2.275 54 L HA 0.495 4.834 4.340 -0.002 0.000 0.288 54 L C -0.425 176.463 176.870 0.029 0.000 1.046 54 L CA -0.316 54.499 54.840 -0.041 0.000 0.805 54 L CB 0.774 42.803 42.059 -0.050 0.000 1.193 54 L HN 0.534 nan 8.230 nan 0.000 0.426 55 I N 5.104 125.683 120.570 0.016 0.000 2.307 55 I HA 0.283 4.452 4.170 -0.002 0.000 0.289 55 I C -0.427 175.751 176.117 0.102 0.000 1.021 55 I CA -0.243 61.120 61.300 0.104 0.000 1.224 55 I CB 0.999 39.047 38.000 0.080 0.000 1.376 55 I HN 0.391 nan 8.210 nan 0.000 0.470 56 L N 7.371 128.582 121.223 -0.021 0.000 2.282 56 L HA 0.576 4.915 4.340 -0.002 0.000 0.288 56 L C -0.154 176.701 176.870 -0.026 0.000 1.033 56 L CA -0.662 54.092 54.840 -0.143 0.000 0.807 56 L CB 0.784 42.401 42.059 -0.736 0.000 1.209 56 L HN 0.458 nan 8.230 nan 0.000 0.423 57 R N 2.859 123.425 120.500 0.109 0.000 2.502 57 R HA 0.744 5.083 4.340 -0.002 0.000 0.298 57 R C -0.332 176.094 176.300 0.209 0.000 1.018 57 R CA -0.510 55.627 56.100 0.061 0.000 0.899 57 R CB 1.978 32.043 30.300 -0.391 0.000 1.181 57 R HN 0.865 nan 8.270 nan 0.000 0.444 58 G N 1.564 110.506 108.800 0.237 0.000 2.588 58 G HA2 0.548 4.507 3.960 -0.002 0.000 0.281 58 G HA3 0.548 4.507 3.960 -0.002 0.000 0.281 58 G C -1.689 173.141 174.900 -0.117 0.000 1.223 58 G CA -0.412 44.796 45.100 0.179 0.000 0.871 58 G HN 0.195 nan 8.290 nan 0.000 0.492 59 F N 0.375 120.431 119.950 0.177 0.000 2.593 59 F HA 0.483 5.009 4.527 -0.001 0.000 0.320 59 F C 0.437 176.211 175.800 -0.044 0.000 1.060 59 F CA -0.962 57.101 58.000 0.105 0.000 0.940 59 F CB 1.988 41.023 39.000 0.060 0.000 1.268 59 F HN 0.131 nan 8.300 nan 0.000 0.475 60 N N 1.068 119.853 118.700 0.143 0.000 2.452 60 N HA 0.187 4.926 4.740 -0.002 0.000 0.266 60 N C -1.033 174.320 175.510 -0.262 0.000 1.175 60 N CA 0.432 53.444 53.050 -0.063 0.000 0.945 60 N CB 0.997 39.455 38.487 -0.048 0.000 1.063 60 N HN 0.492 nan 8.380 nan 0.000 0.472 61 T N 1.392 115.740 114.554 -0.342 0.000 2.906 61 T HA 0.604 4.953 4.350 -0.002 0.000 0.302 61 T C -0.627 173.683 174.700 -0.650 0.000 1.002 61 T CA -0.576 61.220 62.100 -0.507 0.000 0.988 61 T CB 1.273 69.796 68.868 -0.575 0.000 0.972 61 T HN 0.593 nan 8.240 nan 0.000 0.447 62 A N 1.585 124.057 122.820 -0.579 0.000 2.609 62 A HA 0.786 5.105 4.320 -0.002 0.000 0.291 62 A C 1.181 178.497 177.584 -0.447 0.000 1.096 62 A CA -0.539 51.198 52.037 -0.499 0.000 0.684 62 A CB 1.142 19.924 19.000 -0.362 0.000 1.282 62 A HN 0.538 nan 8.150 nan 0.000 0.412 63 S N 0.060 115.467 115.700 -0.488 0.000 2.400 63 S HA -0.173 4.296 4.470 -0.002 0.000 0.232 63 S C 2.016 176.491 174.600 -0.207 0.000 1.025 63 S CA 2.652 60.675 58.200 -0.295 0.000 0.993 63 S CB -0.508 62.564 63.200 -0.213 0.000 0.808 63 S HN 1.608 nan 8.310 nan 0.000 0.478 64 S N 1.188 116.772 115.700 -0.193 0.000 2.442 64 S HA 0.040 4.509 4.470 -0.002 0.000 0.236 64 S C 1.943 176.473 174.600 -0.115 0.000 1.007 64 S CA 0.935 59.059 58.200 -0.126 0.000 0.965 64 S CB -0.682 62.469 63.200 -0.082 0.000 0.773 64 S HN 0.631 nan 8.310 nan 0.000 0.504 65 A N 2.085 124.811 122.820 -0.156 0.000 2.070 65 A HA -0.022 4.297 4.320 -0.002 0.000 0.220 65 A C 2.194 179.710 177.584 -0.114 0.000 1.159 65 A CA 1.335 53.291 52.037 -0.135 0.000 0.656 65 A CB -0.528 18.341 19.000 -0.218 0.000 0.800 65 A HN 0.605 nan 8.150 nan 0.000 0.453 66 K N 0.317 120.638 120.400 -0.132 0.000 2.063 66 K HA -0.138 4.181 4.320 -0.002 0.000 0.208 66 K C 2.078 178.617 176.600 -0.101 0.000 1.048 66 K CA 1.822 58.045 56.287 -0.106 0.000 0.928 66 K CB -0.172 32.262 32.500 -0.109 0.000 0.713 66 K HN 0.657 nan 8.250 nan 0.000 0.442 67 S N -0.274 115.366 115.700 -0.100 0.000 2.524 67 S HA 0.262 4.731 4.470 -0.002 0.000 0.215 67 S C 0.659 175.215 174.600 -0.075 0.000 0.986 67 S CA -0.431 57.712 58.200 -0.094 0.000 0.911 67 S CB 0.436 63.579 63.200 -0.095 0.000 0.805 67 S HN 0.190 nan 8.310 nan 0.000 0.501 68 A N 3.311 126.094 122.820 -0.063 0.000 2.491 68 A HA 0.500 4.819 4.320 -0.002 0.000 0.261 68 A C -1.060 176.501 177.584 -0.038 0.000 1.101 68 A CA -1.270 50.745 52.037 -0.037 0.000 0.772 68 A CB -0.032 18.959 19.000 -0.014 0.000 1.043 68 A HN 0.241 nan 8.150 nan 0.000 0.501 69 P HA -0.194 nan 4.420 nan 0.000 0.216 69 P C 0.728 178.013 177.300 -0.024 0.000 1.150 69 P CA 1.779 64.856 63.100 -0.037 0.000 0.843 69 P CB 0.092 31.777 31.700 -0.026 0.000 0.787 70 D N -2.001 118.408 120.400 0.014 0.000 2.349 70 D HA 0.071 4.710 4.640 -0.002 0.000 0.224 70 D C 1.395 177.766 176.300 0.120 0.000 1.029 70 D CA 0.640 54.679 54.000 0.064 0.000 0.879 70 D CB -0.987 39.866 40.800 0.088 0.000 0.906 70 D HN 0.244 nan 8.370 nan 0.000 0.528 71 G N -0.193 108.638 108.800 0.052 0.000 2.179 71 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.260 71 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.260 71 G C 0.107 175.124 174.900 0.194 0.000 0.977 71 G CA 0.577 45.725 45.100 0.080 0.000 0.641 71 G HN 0.265 nan 8.290 nan 0.000 0.533 72 M N 1.133 120.823 119.600 0.149 0.000 2.423 72 M HA 0.484 4.963 4.480 -0.002 0.000 0.335 72 M C -2.166 174.166 176.300 0.053 0.000 1.177 72 M CA -3.320 52.061 55.300 0.134 0.000 1.038 72 M CB 0.749 33.446 32.600 0.160 0.000 1.641 72 M HN -0.016 nan 8.290 nan 0.000 0.455 73 P HA 0.144 nan 4.420 nan 0.000 0.274 73 P C -0.915 176.454 177.300 0.114 0.000 1.237 73 P CA -0.254 62.844 63.100 -0.004 0.000 0.793 73 P CB 0.410 32.055 31.700 -0.092 0.000 0.977 74 Q N 1.082 120.933 119.800 0.085 0.000 3.184 74 Q HA 0.269 4.608 4.340 -0.002 0.000 0.288 74 Q C -0.946 175.167 176.000 0.188 0.000 1.412 74 Q CA 0.207 56.073 55.803 0.105 0.000 0.991 74 Q CB -0.743 28.020 28.738 0.041 0.000 1.688 74 Q HN 0.387 nan 8.270 nan 0.000 0.554 75 F N 0.691 120.689 119.950 0.081 0.000 2.573 75 F HA 0.314 4.840 4.527 -0.002 0.000 0.316 75 F C -0.266 175.680 175.800 0.244 0.000 1.148 75 F CA -0.595 57.472 58.000 0.111 0.000 0.940 75 F CB 1.494 40.569 39.000 0.125 0.000 1.214 75 F HN 0.090 nan 8.300 nan 0.000 0.448 76 T N 0.610 114.962 114.554 -0.337 0.000 2.937 76 T HA 0.313 4.662 4.350 -0.002 0.000 0.283 76 T C 0.811 175.014 174.700 -0.828 0.000 1.012 76 T CA -0.394 61.491 62.100 -0.359 0.000 0.997 76 T CB 1.706 70.364 68.868 -0.350 0.000 1.136 76 T HN 0.801 nan 8.240 nan 0.000 0.551 77 E N 0.162 119.548 120.200 -1.356 0.000 2.153 77 E HA -0.085 4.264 4.350 -0.002 0.000 0.194 77 E C 2.241 178.409 176.600 -0.719 0.000 0.988 77 E CA 1.120 56.706 56.400 -1.358 0.000 0.811 77 E CB -0.549 28.171 29.700 -1.633 0.000 0.746 77 E HN 0.762 nan 8.360 nan 0.000 0.466 78 A N 1.231 123.701 122.820 -0.583 0.000 1.902 78 A HA -0.217 4.102 4.320 -0.002 0.000 0.217 78 A C 1.783 179.118 177.584 -0.415 0.000 1.181 78 A CA 1.803 53.597 52.037 -0.406 0.000 0.623 78 A CB -0.476 18.329 19.000 -0.326 0.000 0.818 78 A HN 0.271 nan 8.150 nan 0.000 0.443 79 D N -0.392 119.662 120.400 -0.578 0.000 2.117 79 D HA -0.137 4.502 4.640 -0.002 0.000 0.197 79 D C 1.831 177.828 176.300 -0.506 0.000 0.987 79 D CA 1.293 54.898 54.000 -0.657 0.000 0.829 79 D CB -0.420 39.730 40.800 -1.084 0.000 0.961 79 D HN 0.352 nan 8.370 nan 0.000 0.460 80 L N 1.079 121.969 121.223 -0.556 0.000 2.046 80 L HA -0.053 4.286 4.340 -0.002 0.000 0.208 80 L C 2.155 179.020 176.870 -0.009 0.000 1.077 80 L CA 1.640 56.418 54.840 -0.103 0.000 0.747 80 L CB -0.892 41.070 42.059 -0.162 0.000 0.896 80 L HN -0.034 nan 8.230 nan 0.000 0.432 81 A N -0.309 122.443 122.820 -0.113 0.000 1.908 81 A HA -0.291 4.028 4.320 -0.002 0.000 0.218 81 A C 2.563 180.180 177.584 0.055 0.000 1.181 81 A CA 2.035 54.064 52.037 -0.012 0.000 0.627 81 A CB -0.694 18.247 19.000 -0.098 0.000 0.818 81 A HN 0.526 nan 8.150 nan 0.000 0.445 82 R N -0.332 120.145 120.500 -0.038 0.000 2.073 82 R HA -0.186 4.153 4.340 -0.002 0.000 0.234 82 R C 2.279 178.657 176.300 0.130 0.000 1.134 82 R CA 1.808 57.893 56.100 -0.025 0.000 0.952 82 R CB -0.358 29.809 30.300 -0.221 0.000 0.850 82 R HN 0.734 nan 8.270 nan 0.000 0.433 83 E N -0.683 119.633 120.200 0.195 0.000 2.070 83 E HA -0.283 4.066 4.350 -0.002 0.000 0.197 83 E C 1.801 178.616 176.600 0.358 0.000 1.004 83 E CA 1.628 58.239 56.400 0.352 0.000 0.805 83 E CB -0.305 29.648 29.700 0.422 0.000 0.744 83 E HN 0.456 nan 8.360 nan 0.000 0.451 84 Y N 0.504 120.967 120.300 0.272 0.000 2.200 84 Y HA -0.132 4.417 4.550 -0.002 0.000 0.290 84 Y C 2.090 178.090 175.900 0.168 0.000 1.137 84 Y CA 1.651 59.904 58.100 0.255 0.000 1.163 84 Y CB -0.512 38.119 38.460 0.286 0.000 0.988 84 Y HN 0.161 nan 8.280 nan 0.000 0.518 85 A N -0.276 122.634 122.820 0.151 0.000 1.933 85 A HA -0.156 4.163 4.320 -0.002 0.000 0.218 85 A C 1.773 179.400 177.584 0.071 0.000 1.175 85 A CA 2.027 54.115 52.037 0.084 0.000 0.628 85 A CB -0.584 18.484 19.000 0.114 0.000 0.814 85 A HN 0.503 nan 8.150 nan 0.000 0.444 86 D N -1.563 118.908 120.400 0.118 0.000 2.271 86 D HA 0.110 4.749 4.640 -0.002 0.000 0.206 86 D C 1.589 177.963 176.300 0.124 0.000 0.967 86 D CA 1.025 55.114 54.000 0.147 0.000 0.867 86 D CB 0.111 41.053 40.800 0.236 0.000 0.960 86 D HN 0.470 nan 8.370 nan 0.000 0.509 87 M N -1.719 117.927 119.600 0.076 0.000 2.231 87 M HA 0.225 4.704 4.480 -0.002 0.000 0.347 87 M C 0.774 176.925 176.300 -0.247 0.000 0.901 87 M CA 0.169 55.490 55.300 0.035 0.000 1.064 87 M CB 2.150 34.834 32.600 0.139 0.000 1.861 87 M HN -0.012 nan 8.290 nan 0.000 0.638 88 G N 2.894 111.353 108.800 -0.568 0.000 2.283 88 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.280 88 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.280 88 G C 0.212 174.795 174.900 -0.528 0.000 1.029 88 G CA 0.619 44.959 45.100 -1.267 0.000 0.840 88 G HN 0.540 nan 8.290 nan 0.000 0.505 89 T N -1.663 112.868 114.554 -0.039 0.000 2.903 89 T HA 0.416 4.764 4.350 -0.002 0.000 0.314 89 T C 1.047 175.730 174.700 -0.028 0.000 1.078 89 T CA 0.408 62.610 62.100 0.171 0.000 1.114 89 T CB 1.372 70.518 68.868 0.462 0.000 0.987 89 T HN 0.846 nan 8.240 nan 0.000 0.548 90 N N -0.298 118.440 118.700 0.063 0.000 2.184 90 N HA 0.158 4.897 4.740 -0.002 0.000 0.234 90 N C -0.898 174.786 175.510 0.289 0.000 1.282 90 N CA -0.577 52.402 53.050 -0.118 0.000 0.877 90 N CB 0.241 38.789 38.487 0.103 0.000 1.184 90 N HN 0.571 nan 8.380 nan 0.000 0.510 91 F N 0.429 120.588 119.950 0.349 0.000 2.613 91 F HA 0.733 5.259 4.527 -0.001 0.000 0.310 91 F C -1.618 174.402 175.800 0.367 0.000 1.085 91 F CA -1.318 56.876 58.000 0.323 0.000 0.945 91 F CB 2.009 41.115 39.000 0.178 0.000 1.298 91 F HN -0.179 nan 8.300 nan 0.000 0.455 92 V N 5.459 125.021 119.914 -0.586 0.000 2.851 92 V HA 0.534 4.653 4.120 -0.002 0.000 0.307 92 V C -1.454 174.086 176.094 -0.924 0.000 1.129 92 V CA -0.749 61.169 62.300 -0.638 0.000 0.932 92 V CB 2.039 33.480 31.823 -0.638 0.000 1.024 92 V HN 0.870 nan 8.190 nan 0.000 0.426 93 R N 5.311 125.457 120.500 -0.590 0.000 2.230 93 R HA 0.390 4.729 4.340 -0.002 0.000 0.337 93 R C -1.478 174.745 176.300 -0.130 0.000 1.063 93 R CA -0.414 55.523 56.100 -0.272 0.000 0.935 93 R CB 0.528 30.801 30.300 -0.045 0.000 1.121 93 R HN 0.635 nan 8.270 nan 0.000 0.486 94 F N 5.653 125.456 119.950 -0.245 0.000 2.391 94 F HA 0.306 4.832 4.527 -0.002 0.000 0.359 94 F C -0.803 174.943 175.800 -0.089 0.000 1.122 94 F CA -0.907 56.955 58.000 -0.230 0.000 1.120 94 F CB 0.681 39.489 39.000 -0.321 0.000 1.142 94 F HN 0.377 nan 8.300 nan 0.000 0.483 95 L N 7.928 128.843 121.223 -0.514 0.000 2.418 95 L HA 0.254 4.593 4.340 -0.002 0.000 0.274 95 L C 0.257 177.024 176.870 -0.171 0.000 1.135 95 L CA 0.333 55.023 54.840 -0.251 0.000 0.870 95 L CB 0.078 41.934 42.059 -0.339 0.000 1.154 95 L HN 0.520 nan 8.230 nan 0.000 0.462 96 I N -0.035 120.583 120.570 0.080 0.000 3.217 96 I HA 0.927 5.096 4.170 -0.002 0.000 0.308 96 I C -0.174 176.017 176.117 0.123 0.000 1.091 96 I CA -0.664 60.743 61.300 0.177 0.000 1.013 96 I CB 2.292 40.407 38.000 0.192 0.000 1.250 96 I HN 0.549 nan 8.210 nan 0.000 0.496 97 S N 0.519 116.275 115.700 0.093 0.000 2.540 97 S HA 0.247 4.716 4.470 -0.002 0.000 0.275 97 S C -0.257 174.355 174.600 0.021 0.000 1.123 97 S CA -0.745 57.472 58.200 0.028 0.000 0.907 97 S CB 1.490 64.666 63.200 -0.040 0.000 1.081 97 S HN 0.978 nan 8.310 nan 0.000 0.476 98 W N 3.642 124.837 121.300 -0.176 0.000 2.342 98 W HA -0.143 4.516 4.660 -0.001 0.000 0.297 98 W C 2.127 178.551 176.519 -0.157 0.000 1.213 98 W CA 1.674 58.911 57.345 -0.180 0.000 1.251 98 W CB -0.590 28.783 29.460 -0.146 0.000 1.136 98 W HN 0.947 nan 8.180 nan 0.000 0.526 99 R N -0.215 120.192 120.500 -0.155 0.000 2.152 99 R HA -0.055 4.284 4.340 -0.002 0.000 0.232 99 R C 1.943 178.103 176.300 -0.234 0.000 1.117 99 R CA 2.118 58.047 56.100 -0.285 0.000 0.981 99 R CB -1.365 28.758 30.300 -0.296 0.000 0.870 99 R HN -0.031 nan 8.270 nan 0.000 0.451 100 S N -0.037 115.466 115.700 -0.329 0.000 2.421 100 S HA 0.087 4.556 4.470 -0.002 0.000 0.224 100 S C 1.861 176.200 174.600 -0.435 0.000 1.035 100 S CA 0.660 58.468 58.200 -0.654 0.000 0.953 100 S CB 0.010 62.319 63.200 -1.485 0.000 0.810 100 S HN 0.119 nan 8.310 nan 0.000 0.497 101 V N 1.195 121.036 119.914 -0.121 0.000 2.307 101 V HA -0.030 4.089 4.120 -0.002 0.000 0.245 101 V C 1.259 177.542 176.094 0.315 0.000 1.045 101 V CA 1.301 63.723 62.300 0.204 0.000 1.024 101 V CB -0.219 31.708 31.823 0.174 0.000 0.651 101 V HN 0.441 nan 8.190 nan 0.000 0.449 102 E N 0.373 120.760 120.200 0.311 0.000 3.303 102 E HA 0.187 4.536 4.350 -0.002 0.000 0.215 102 E C -1.935 174.816 176.600 0.252 0.000 1.181 102 E CA -1.624 55.002 56.400 0.377 0.000 0.998 102 E CB 1.413 31.521 29.700 0.679 0.000 1.312 102 E HN 0.311 nan 8.360 nan 0.000 0.412 103 P HA -0.027 nan 4.420 nan 0.000 0.223 103 P C 0.021 177.422 177.300 0.169 0.000 1.151 103 P CA 0.595 63.748 63.100 0.087 0.000 0.787 103 P CB 0.392 32.095 31.700 0.005 0.000 0.788 104 A N -0.584 122.249 122.820 0.021 0.000 2.498 104 A HA 0.658 4.977 4.320 -0.002 0.000 0.298 104 A C -2.953 174.230 177.584 -0.668 0.000 1.075 104 A CA -2.169 49.666 52.037 -0.336 0.000 0.714 104 A CB 0.679 19.537 19.000 -0.238 0.000 1.299 104 A HN -0.226 nan 8.150 nan 0.000 0.407 105 P HA 0.254 nan 4.420 nan 0.000 0.262 105 P C 1.010 178.047 177.300 -0.438 0.000 1.199 105 P CA 2.144 64.519 63.100 -1.209 0.000 0.763 105 P CB 0.462 31.487 31.700 -1.126 0.000 0.790 106 G N 1.838 110.512 108.800 -0.210 0.000 2.184 106 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.264 106 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.264 106 G C -0.051 174.520 174.900 -0.549 0.000 0.975 106 G CA -0.078 44.853 45.100 -0.280 0.000 0.642 106 G HN 0.527 nan 8.290 nan 0.000 0.536 107 V N 1.148 120.747 119.914 -0.525 0.000 2.378 107 V HA 0.602 4.721 4.120 -0.002 0.000 0.288 107 V C -0.433 175.438 176.094 -0.370 0.000 1.016 107 V CA -1.211 60.834 62.300 -0.424 0.000 0.840 107 V CB 1.070 32.765 31.823 -0.214 0.000 0.994 107 V HN 0.232 nan 8.190 nan 0.000 0.431 108 Y N 1.796 122.140 120.300 0.072 0.000 2.323 108 Y HA 0.433 4.982 4.550 -0.002 0.000 0.331 108 Y C 0.481 176.433 175.900 0.086 0.000 1.092 108 Y CA -1.475 56.682 58.100 0.096 0.000 1.150 108 Y CB 0.831 39.349 38.460 0.097 0.000 1.200 108 Y HN 0.542 nan 8.280 nan 0.000 0.472 109 D N 2.953 123.511 120.400 0.264 0.000 2.422 109 D HA 0.047 4.686 4.640 -0.002 0.000 0.227 109 D C 0.524 176.954 176.300 0.217 0.000 1.190 109 D CA 0.064 54.184 54.000 0.200 0.000 0.905 109 D CB 0.792 41.702 40.800 0.183 0.000 1.034 109 D HN 0.549 nan 8.370 nan 0.000 0.507 110 Q N 2.371 122.260 119.800 0.147 0.000 2.297 110 Q HA -0.124 4.215 4.340 -0.002 0.000 0.204 110 Q C 1.496 177.539 176.000 0.072 0.000 0.962 110 Q CA 0.676 56.537 55.803 0.096 0.000 0.879 110 Q CB 0.132 28.908 28.738 0.063 0.000 0.947 110 Q HN 0.661 nan 8.270 nan 0.000 0.462 111 Q N -0.511 119.346 119.800 0.094 0.000 2.079 111 Q HA -0.172 4.167 4.340 -0.002 0.000 0.200 111 Q C 1.807 177.873 176.000 0.111 0.000 0.974 111 Q CA 1.050 56.902 55.803 0.082 0.000 0.840 111 Q CB -0.052 28.736 28.738 0.083 0.000 0.898 111 Q HN 0.372 nan 8.270 nan 0.000 0.430 112 Y N 0.633 120.961 120.300 0.048 0.000 2.145 112 Y HA -0.204 4.345 4.550 -0.002 0.000 0.286 112 Y C 1.601 177.546 175.900 0.074 0.000 1.145 112 Y CA 1.519 59.653 58.100 0.058 0.000 1.148 112 Y CB -0.280 38.218 38.460 0.063 0.000 0.981 112 Y HN 0.074 nan 8.280 nan 0.000 0.507 113 L N -0.022 121.144 121.223 -0.095 0.000 2.083 113 L HA -0.230 4.109 4.340 -0.002 0.000 0.209 113 L C 2.112 178.907 176.870 -0.125 0.000 1.083 113 L CA 1.472 56.226 54.840 -0.142 0.000 0.752 113 L CB -0.677 41.374 42.059 -0.013 0.000 0.899 113 L HN 0.202 nan 8.230 nan 0.000 0.433 114 D N 0.129 120.479 120.400 -0.084 0.000 2.123 114 D HA -0.173 4.466 4.640 -0.002 0.000 0.196 114 D C 2.341 178.590 176.300 -0.085 0.000 0.992 114 D CA 1.179 55.135 54.000 -0.074 0.000 0.833 114 D CB -0.131 40.651 40.800 -0.031 0.000 0.954 114 D HN 0.282 nan 8.370 nan 0.000 0.455 115 R N 0.309 120.750 120.500 -0.098 0.000 2.081 115 R HA -0.057 4.282 4.340 -0.002 0.000 0.235 115 R C 2.434 178.619 176.300 -0.192 0.000 1.131 115 R CA 0.632 56.669 56.100 -0.105 0.000 0.960 115 R CB -0.379 29.901 30.300 -0.033 0.000 0.856 115 R HN 0.105 nan 8.270 nan 0.000 0.436 116 V N 1.149 120.902 119.914 -0.267 0.000 2.343 116 V HA -0.250 3.869 4.120 -0.002 0.000 0.247 116 V C 2.277 178.267 176.094 -0.174 0.000 1.051 116 V CA 1.924 64.069 62.300 -0.258 0.000 1.036 116 V CB -0.490 31.184 31.823 -0.250 0.000 0.654 116 V HN 0.385 nan 8.190 nan 0.000 0.451 117 E N 0.094 120.316 120.200 0.037 0.000 2.077 117 E HA -0.308 4.041 4.350 -0.002 0.000 0.193 117 E C 1.956 178.500 176.600 -0.093 0.000 0.989 117 E CA 1.620 58.068 56.400 0.080 0.000 0.800 117 E CB -0.139 29.528 29.700 -0.054 0.000 0.746 117 E HN 0.695 nan 8.360 nan 0.000 0.452 118 D N -0.199 120.103 120.400 -0.165 0.000 2.104 118 D HA -0.191 4.448 4.640 -0.002 0.000 0.194 118 D C 1.990 177.924 176.300 -0.610 0.000 0.994 118 D CA 1.314 55.180 54.000 -0.223 0.000 0.830 118 D CB 0.086 40.803 40.800 -0.139 0.000 0.959 118 D HN -0.031 nan 8.370 nan 0.000 0.452 119 R N -0.229 119.773 120.500 -0.829 0.000 2.073 119 R HA -0.003 4.336 4.340 -0.002 0.000 0.234 119 R C 2.465 178.372 176.300 -0.656 0.000 1.134 119 R CA 0.722 56.053 56.100 -1.282 0.000 0.952 119 R CB -0.921 28.816 30.300 -0.938 0.000 0.850 119 R HN 0.145 nan 8.270 nan 0.000 0.433 120 V N 0.073 119.718 119.914 -0.448 0.000 2.392 120 V HA -0.204 3.915 4.120 -0.002 0.000 0.249 120 V C 2.244 178.346 176.094 0.014 0.000 1.059 120 V CA 2.131 64.327 62.300 -0.174 0.000 1.051 120 V CB -1.123 30.615 31.823 -0.142 0.000 0.658 120 V HN 0.562 nan 8.190 nan 0.000 0.455 121 G N -0.813 107.964 108.800 -0.040 0.000 2.442 121 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.219 121 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.219 121 G C 1.211 176.224 174.900 0.187 0.000 1.141 121 G CA 0.892 46.035 45.100 0.071 0.000 0.763 121 G HN 0.538 nan 8.290 nan 0.000 0.554 122 W N 0.266 121.546 121.300 -0.034 0.000 2.335 122 W HA 0.016 4.675 4.660 -0.002 0.000 0.311 122 W C 2.299 178.710 176.519 -0.180 0.000 1.213 122 W CA 0.409 57.669 57.345 -0.143 0.000 1.274 122 W CB -1.568 27.738 29.460 -0.257 0.000 1.148 122 W HN 0.290 nan 8.180 nan 0.000 0.498 123 Y N 0.548 120.931 120.300 0.138 0.000 2.145 123 Y HA -0.125 4.424 4.550 -0.002 0.000 0.286 123 Y C 2.720 178.729 175.900 0.182 0.000 1.145 123 Y CA 2.139 60.268 58.100 0.049 0.000 1.148 123 Y CB -1.409 37.017 38.460 -0.057 0.000 0.981 123 Y HN -0.087 nan 8.280 nan 0.000 0.507 124 A N 0.088 123.070 122.820 0.271 0.000 1.902 124 A HA -0.280 4.039 4.320 -0.002 0.000 0.217 124 A C 2.148 179.823 177.584 0.152 0.000 1.181 124 A CA 1.891 54.047 52.037 0.198 0.000 0.623 124 A CB -0.843 18.244 19.000 0.145 0.000 0.818 124 A HN 0.556 nan 8.150 nan 0.000 0.443 125 E N -0.274 120.004 120.200 0.130 0.000 2.160 125 E HA -0.195 4.154 4.350 -0.002 0.000 0.195 125 E C 1.543 178.169 176.600 0.043 0.000 0.991 125 E CA 1.142 57.588 56.400 0.077 0.000 0.810 125 E CB -0.042 29.698 29.700 0.067 0.000 0.742 125 E HN 0.604 nan 8.360 nan 0.000 0.466 126 R N -1.262 119.286 120.500 0.080 0.000 2.468 126 R HA 0.188 4.527 4.340 -0.002 0.000 0.280 126 R C 0.715 176.991 176.300 -0.040 0.000 0.963 126 R CA 0.430 56.512 56.100 -0.030 0.000 1.083 126 R CB 0.978 31.278 30.300 0.000 0.000 1.200 126 R HN 0.254 nan 8.270 nan 0.000 0.541 127 G N 0.579 109.427 108.800 0.080 0.000 2.147 127 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.244 127 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.244 127 G C -0.246 174.704 174.900 0.084 0.000 1.005 127 G CA -0.111 45.017 45.100 0.046 0.000 0.713 127 G HN 0.268 nan 8.290 nan 0.000 0.515 128 Y N 0.375 120.764 120.300 0.148 0.000 2.326 128 Y HA 0.550 5.099 4.550 -0.002 0.000 0.333 128 Y C 1.047 177.065 175.900 0.196 0.000 1.240 128 Y CA -0.129 58.113 58.100 0.236 0.000 1.365 128 Y CB 0.739 39.429 38.460 0.384 0.000 1.289 128 Y HN -0.078 nan 8.280 nan 0.000 0.548 129 K N 1.508 122.134 120.400 0.378 0.000 2.138 129 K HA 0.579 4.898 4.320 -0.002 0.000 0.263 129 K C -1.196 175.577 176.600 0.288 0.000 0.965 129 K CA -0.754 55.718 56.287 0.307 0.000 0.868 129 K CB 1.994 34.669 32.500 0.292 0.000 1.083 129 K HN 0.352 nan 8.250 nan 0.000 0.443 130 V N 3.139 123.135 119.914 0.136 0.000 2.495 130 V HA 0.426 4.545 4.120 -0.002 0.000 0.298 130 V C -0.238 175.875 176.094 0.032 0.000 1.031 130 V CA -0.861 61.402 62.300 -0.061 0.000 0.871 130 V CB 1.745 33.458 31.823 -0.183 0.000 0.988 130 V HN 0.724 nan 8.190 nan 0.000 0.432 131 M N 5.781 125.361 119.600 -0.033 0.000 2.149 131 M HA 0.554 5.033 4.480 -0.002 0.000 0.342 131 M C -1.341 175.025 176.300 0.109 0.000 1.068 131 M CA -0.483 54.885 55.300 0.114 0.000 0.991 131 M CB 0.977 33.727 32.600 0.249 0.000 1.596 131 M HN 0.524 nan 8.290 nan 0.000 0.439 132 L N 4.276 125.640 121.223 0.235 0.000 2.281 132 L HA 0.313 4.652 4.340 -0.002 0.000 0.285 132 L C -0.446 176.695 176.870 0.452 0.000 1.074 132 L CA -0.446 54.575 54.840 0.303 0.000 0.817 132 L CB 0.691 42.930 42.059 0.300 0.000 1.168 132 L HN 0.634 nan 8.230 nan 0.000 0.434 133 D N 4.756 125.366 120.400 0.351 0.000 2.392 133 D HA 0.201 4.840 4.640 -0.002 0.000 0.228 133 D C -0.314 176.204 176.300 0.362 0.000 1.074 133 D CA -0.599 53.641 54.000 0.400 0.000 0.838 133 D CB 1.344 42.359 40.800 0.359 0.000 1.067 133 D HN 0.255 nan 8.370 nan 0.000 0.511 134 M N 4.640 124.502 119.600 0.437 0.000 2.685 134 M HA 0.159 4.638 4.480 -0.002 0.000 0.316 134 M C -1.095 175.386 176.300 0.303 0.000 1.523 134 M CA -0.004 55.440 55.300 0.241 0.000 1.472 134 M CB -0.419 32.284 32.600 0.172 0.000 1.525 134 M HN 0.400 nan 8.290 nan 0.000 0.471 135 H N 3.003 122.173 119.070 0.166 0.000 2.502 135 H HA 0.583 5.138 4.556 -0.002 0.000 0.327 135 H C -0.806 174.594 175.328 0.119 0.000 1.099 135 H CA -0.124 56.024 56.048 0.168 0.000 1.323 135 H CB 0.747 30.590 29.762 0.134 0.000 1.450 135 H HN 0.685 nan 8.280 nan 0.000 0.502 136 Q N 2.628 122.379 119.800 -0.081 0.000 2.416 136 Q HA 0.444 4.783 4.340 -0.002 0.000 0.281 136 Q C -1.931 174.070 176.000 0.001 0.000 1.067 136 Q CA -0.950 54.858 55.803 0.008 0.000 0.809 136 Q CB 2.151 30.883 28.738 -0.010 0.000 1.418 136 Q HN 0.539 nan 8.270 nan 0.000 0.411 137 D N 1.274 121.710 120.400 0.060 0.000 2.896 137 D HA 0.353 4.992 4.640 -0.002 0.000 0.241 137 D C -0.430 175.856 176.300 -0.023 0.000 1.188 137 D CA -0.548 53.516 54.000 0.106 0.000 0.879 137 D CB 2.324 43.118 40.800 -0.011 0.000 1.553 137 D HN 0.649 nan 8.370 nan 0.000 0.515 138 V N 2.260 122.055 119.914 -0.198 0.000 5.117 138 V HA -0.390 3.728 4.120 -0.002 0.000 0.285 138 V C 0.835 176.950 176.094 0.034 0.000 0.490 138 V CA 1.485 63.562 62.300 -0.372 0.000 0.728 138 V CB -3.044 28.549 31.823 -0.385 0.000 0.597 138 V HN 0.961 nan 8.190 nan 0.000 1.265 139 Y N -1.385 118.907 120.300 -0.013 0.000 2.769 139 Y HA -0.412 4.137 4.550 -0.002 0.000 0.487 139 Y C 0.899 176.638 175.900 -0.270 0.000 1.131 139 Y CA 2.932 60.811 58.100 -0.368 0.000 2.888 139 Y CB -1.074 36.885 38.460 -0.835 0.000 0.920 139 Y HN 1.455 nan 8.280 nan 0.000 0.553 140 S N -1.417 114.192 115.700 -0.152 0.000 2.578 140 S HA 0.517 4.986 4.470 -0.002 0.000 0.272 140 S C 0.454 174.957 174.600 -0.163 0.000 1.145 140 S CA -0.138 57.938 58.200 -0.208 0.000 0.835 140 S CB 0.837 63.916 63.200 -0.202 0.000 1.104 140 S HN 1.001 nan 8.310 nan 0.000 0.458 141 G N 1.211 109.904 108.800 -0.178 0.000 2.509 141 G HA2 0.164 4.123 3.960 -0.002 0.000 0.218 141 G HA3 0.164 4.123 3.960 -0.002 0.000 0.218 141 G C 1.204 176.013 174.900 -0.152 0.000 1.124 141 G CA 0.781 45.782 45.100 -0.166 0.000 0.776 141 G HN 1.150 nan 8.290 nan 0.000 0.547 142 A N 1.000 123.727 122.820 -0.155 0.000 2.235 142 A HA 0.223 4.542 4.320 -0.002 0.000 0.208 142 A C 2.158 179.672 177.584 -0.116 0.000 1.172 142 A CA 0.714 52.666 52.037 -0.141 0.000 0.786 142 A CB -0.469 18.427 19.000 -0.173 0.000 0.804 142 A HN 0.672 nan 8.150 nan 0.000 0.479 143 I N -2.391 118.114 120.570 -0.108 0.000 2.830 143 I HA 0.039 4.207 4.170 -0.002 0.000 0.263 143 I C 0.814 176.891 176.117 -0.067 0.000 1.230 143 I CA 1.119 62.370 61.300 -0.081 0.000 1.480 143 I CB -0.471 37.486 38.000 -0.071 0.000 1.095 143 I HN 0.266 nan 8.210 nan 0.000 0.455 144 T N -1.267 113.233 114.554 -0.090 0.000 2.896 144 T HA 0.684 5.033 4.350 -0.002 0.000 0.297 144 T C -2.497 172.160 174.700 -0.071 0.000 1.108 144 T CA -1.379 60.682 62.100 -0.066 0.000 1.004 144 T CB 1.612 70.438 68.868 -0.070 0.000 1.159 144 T HN -0.080 nan 8.240 nan 0.000 0.499 153 A N 0.306 123.029 122.820 -0.161 0.000 2.386 153 A HA 0.777 5.095 4.320 -0.002 0.000 0.248 153 A C 0.647 178.151 177.584 -0.133 0.000 1.082 153 A CA 0.818 52.772 52.037 -0.137 0.000 0.789 153 A CB 0.543 19.472 19.000 -0.118 0.000 1.025 153 A HN 1.791 nan 8.150 nan 0.000 0.490 154 G N -1.939 106.784 108.800 -0.130 0.000 2.489 154 G HA2 0.606 4.565 3.960 -0.002 0.000 0.291 154 G HA3 0.606 4.565 3.960 -0.002 0.000 0.291 154 G C 0.218 175.029 174.900 -0.147 0.000 1.487 154 G CA 0.119 45.136 45.100 -0.138 0.000 0.795 154 G HN 1.371 nan 8.290 nan 0.000 0.513 155 A N -0.369 122.359 122.820 -0.153 0.000 1.930 155 A HA 0.345 4.664 4.320 -0.002 0.000 0.215 155 A C 1.854 179.299 177.584 -0.231 0.000 1.176 155 A CA 1.466 53.403 52.037 -0.167 0.000 0.632 155 A CB -0.303 18.613 19.000 -0.140 0.000 0.819 155 A HN 0.568 nan 8.150 nan 0.000 0.445 156 I N -0.844 119.577 120.570 -0.248 0.000 3.700 156 I HA 0.154 4.323 4.170 -0.002 0.000 0.232 156 I C 1.622 177.558 176.117 -0.301 0.000 1.033 156 I CA 0.357 61.466 61.300 -0.318 0.000 1.525 156 I CB -1.029 36.798 38.000 -0.288 0.000 1.411 156 I HN 0.308 nan 8.210 nan 0.000 0.458 157 G N 1.923 110.560 108.800 -0.272 0.000 2.398 157 G HA2 0.308 4.267 3.960 -0.002 0.000 0.246 157 G HA3 0.308 4.267 3.960 -0.002 0.000 0.246 157 G C -0.767 174.026 174.900 -0.178 0.000 1.289 157 G CA 0.032 45.002 45.100 -0.216 0.000 0.869 157 G HN 0.729 nan 8.290 nan 0.000 0.543 158 N N 0.194 118.809 118.700 -0.141 0.000 2.745 158 N HA 0.663 5.402 4.740 -0.002 0.000 0.256 158 N C 0.281 175.722 175.510 -0.114 0.000 1.268 158 N CA -0.097 52.880 53.050 -0.121 0.000 0.887 158 N CB 1.503 39.943 38.487 -0.079 0.000 1.575 158 N HN 1.104 nan 8.380 nan 0.000 0.496 159 G N 0.003 108.717 108.800 -0.143 0.000 2.169 159 G HA2 0.265 4.224 3.960 -0.002 0.000 0.173 159 G HA3 0.265 4.224 3.960 -0.002 0.000 0.173 159 G C -0.341 174.432 174.900 -0.210 0.000 2.429 159 G CA 0.079 45.105 45.100 -0.124 0.000 1.467 159 G HN 1.197 nan 8.290 nan 0.000 0.454 160 A N 3.377 125.938 122.820 -0.432 0.000 2.407 160 A HA 0.670 4.989 4.320 -0.002 0.000 0.248 160 A C -1.667 175.481 177.584 -0.728 0.000 1.082 160 A CA -0.203 51.436 52.037 -0.664 0.000 0.785 160 A CB -0.008 18.335 19.000 -1.095 0.000 1.020 160 A HN 0.435 nan 8.150 nan 0.000 0.489 161 P HA 0.188 nan 4.420 nan 0.000 0.274 161 P C 0.716 177.537 177.300 -0.800 0.000 1.237 161 P CA 0.448 63.029 63.100 -0.865 0.000 0.793 161 P CB 0.949 31.989 31.700 -1.099 0.000 0.977 162 A N 3.234 125.768 122.820 -0.477 0.000 1.940 162 A HA -0.170 4.149 4.320 -0.002 0.000 0.219 162 A C 2.033 179.384 177.584 -0.389 0.000 1.176 162 A CA 1.675 53.502 52.037 -0.350 0.000 0.631 162 A CB -1.833 17.046 19.000 -0.202 0.000 0.814 162 A HN 0.840 nan 8.150 nan 0.000 0.446 163 W N -1.052 120.046 121.300 -0.337 0.000 2.392 163 W HA 0.102 4.760 4.660 -0.002 0.000 0.279 163 W C 1.471 177.732 176.519 -0.430 0.000 1.225 163 W CA 0.937 58.071 57.345 -0.353 0.000 1.233 163 W CB -0.673 28.629 29.460 -0.264 0.000 1.122 163 W HN 0.401 nan 8.180 nan 0.000 0.561 164 A N 0.974 123.138 122.820 -1.092 0.000 2.275 164 A HA 0.188 4.507 4.320 -0.002 0.000 0.212 164 A C 0.497 177.867 177.584 -0.358 0.000 1.201 164 A CA 0.426 51.940 52.037 -0.871 0.000 0.843 164 A CB -0.568 17.451 19.000 -1.635 0.000 0.873 164 A HN 0.072 nan 8.150 nan 0.000 0.492 165 T N 0.568 114.840 114.554 -0.471 0.000 2.781 165 T HA 0.469 4.818 4.350 -0.002 0.000 0.305 165 T C -1.265 173.156 174.700 -0.466 0.000 1.001 165 T CA 0.155 62.084 62.100 -0.284 0.000 0.950 165 T CB -0.107 68.642 68.868 -0.198 0.000 0.955 165 T HN 0.237 nan 8.240 nan 0.000 0.471 166 Y N 2.965 123.115 120.300 -0.249 0.000 2.686 166 Y HA 0.349 4.898 4.550 -0.002 0.000 0.331 166 Y C 1.141 176.954 175.900 -0.145 0.000 0.996 166 Y CA -0.762 57.227 58.100 -0.186 0.000 1.293 166 Y CB 0.810 39.105 38.460 -0.275 0.000 1.092 166 Y HN 0.591 nan 8.280 nan 0.000 0.524 167 M N 0.450 120.050 119.600 -0.001 0.000 2.502 167 M HA 0.024 4.503 4.480 -0.002 0.000 0.243 167 M C -0.112 176.217 176.300 0.047 0.000 1.130 167 M CA 0.450 55.751 55.300 0.003 0.000 1.055 167 M CB 0.247 32.833 32.600 -0.023 0.000 1.457 167 M HN 0.518 nan 8.290 nan 0.000 0.488 168 D N 1.143 121.592 120.400 0.082 0.000 2.751 168 D HA -0.179 4.460 4.640 -0.002 0.000 0.233 168 D C 1.052 177.385 176.300 0.057 0.000 1.149 168 D CA 1.317 55.370 54.000 0.089 0.000 0.682 168 D CB -1.821 39.037 40.800 0.097 0.000 1.068 168 D HN 0.711 nan 8.370 nan 0.000 0.429 169 G N -1.385 107.439 108.800 0.040 0.000 2.184 169 G HA2 -0.350 3.609 3.960 -0.002 0.000 0.264 169 G HA3 -0.350 3.609 3.960 -0.002 0.000 0.264 169 G C 0.415 175.331 174.900 0.028 0.000 0.975 169 G CA 0.469 45.586 45.100 0.029 0.000 0.642 169 G HN 0.514 nan 8.290 nan 0.000 0.536 170 L N 2.409 123.651 121.223 0.033 0.000 2.417 170 L HA 0.389 4.728 4.340 -0.002 0.000 0.268 170 L C -1.063 175.827 176.870 0.033 0.000 1.158 170 L CA -1.876 52.985 54.840 0.035 0.000 0.819 170 L CB 0.530 42.615 42.059 0.043 0.000 1.112 170 L HN 0.011 nan 8.230 nan 0.000 0.458 171 P HA 0.089 nan 4.420 nan 0.000 0.274 171 P C -0.873 176.456 177.300 0.050 0.000 1.231 171 P CA -0.211 62.910 63.100 0.035 0.000 0.790 171 P CB 1.311 33.028 31.700 0.028 0.000 0.951 172 V N 1.934 121.885 119.914 0.062 0.000 2.467 172 V HA 0.146 4.265 4.120 -0.002 0.000 0.260 172 V C 0.285 176.453 176.094 0.124 0.000 0.963 172 V CA -0.514 61.850 62.300 0.107 0.000 0.856 172 V CB 0.635 32.536 31.823 0.130 0.000 1.087 172 V HN 0.472 nan 8.190 nan 0.000 0.467 173 E N 3.227 123.465 120.200 0.064 0.000 2.374 173 E HA 0.334 4.683 4.350 -0.002 0.000 0.260 173 E C -2.409 174.207 176.600 0.026 0.000 1.101 173 E CA -1.990 54.436 56.400 0.043 0.000 0.907 173 E CB 0.859 30.560 29.700 0.002 0.000 1.014 173 E HN 0.275 nan 8.360 nan 0.000 0.427 174 P HA -0.024 nan 4.420 nan 0.000 0.264 174 P C -0.491 176.710 177.300 -0.164 0.000 1.183 174 P CA 0.485 63.612 63.100 0.045 0.000 0.763 174 P CB 0.508 32.248 31.700 0.068 0.000 0.807 175 Q N 3.655 123.230 119.800 -0.374 0.000 2.387 175 Q HA 0.308 4.647 4.340 -0.002 0.000 0.273 175 Q C -1.613 174.291 176.000 -0.159 0.000 1.089 175 Q CA -1.849 53.722 55.803 -0.386 0.000 0.824 175 Q CB 0.977 29.281 28.738 -0.724 0.000 1.367 175 Q HN 0.306 nan 8.270 nan 0.000 0.443 176 P HA 0.015 nan 4.420 nan 0.000 0.225 176 P C -0.319 176.986 177.300 0.008 0.000 1.156 176 P CA 0.758 63.842 63.100 -0.026 0.000 0.787 176 P CB 0.850 32.531 31.700 -0.032 0.000 0.802 177 R N -0.550 119.936 120.500 -0.023 0.000 2.673 177 R HA 0.186 4.525 4.340 -0.002 0.000 0.281 177 R C 1.168 177.492 176.300 0.040 0.000 0.991 177 R CA -0.804 55.300 56.100 0.007 0.000 0.896 177 R CB 1.190 31.440 30.300 -0.084 0.000 1.201 177 R HN 0.074 nan 8.270 nan 0.000 0.457 178 W N 2.787 124.152 121.300 0.109 0.000 2.363 178 W HA -0.138 4.521 4.660 -0.001 0.000 0.296 178 W C 0.195 176.824 176.519 0.183 0.000 1.212 178 W CA 1.206 58.682 57.345 0.219 0.000 1.260 178 W CB -0.178 29.330 29.460 0.079 0.000 1.131 178 W HN 0.605 nan 8.180 nan 0.000 0.530 179 E N 1.371 121.055 120.200 -0.860 0.000 2.204 179 E HA -0.133 4.216 4.350 -0.002 0.000 0.195 179 E C 2.243 178.712 176.600 -0.218 0.000 0.990 179 E CA 1.568 57.492 56.400 -0.794 0.000 0.821 179 E CB -0.688 28.485 29.700 -0.878 0.000 0.750 179 E HN 0.318 nan 8.360 nan 0.000 0.477 180 L N -0.392 120.720 121.223 -0.185 0.000 2.376 180 L HA -0.103 4.236 4.340 -0.002 0.000 0.219 180 L C 1.434 178.230 176.870 -0.124 0.000 1.133 180 L CA 0.541 55.293 54.840 -0.146 0.000 0.816 180 L CB -0.243 41.700 42.059 -0.192 0.000 0.933 180 L HN 0.206 nan 8.230 nan 0.000 0.449 181 Y N -1.558 118.709 120.300 -0.055 0.000 2.333 181 Y HA -0.265 4.284 4.550 -0.002 0.000 0.290 181 Y C 2.286 178.145 175.900 -0.067 0.000 1.144 181 Y CA 1.326 59.396 58.100 -0.049 0.000 1.228 181 Y CB -0.531 37.901 38.460 -0.048 0.000 0.985 181 Y HN 0.055 nan 8.280 nan 0.000 0.542 182 Y N 0.086 120.376 120.300 -0.017 0.000 2.193 182 Y HA -0.257 4.292 4.550 -0.002 0.000 0.285 182 Y C 2.143 177.979 175.900 -0.107 0.000 1.166 182 Y CA 1.703 59.639 58.100 -0.273 0.000 1.181 182 Y CB -0.592 37.409 38.460 -0.764 0.000 0.976 182 Y HN 0.242 nan 8.280 nan 0.000 0.520 183 I N -2.169 118.478 120.570 0.127 0.000 3.875 183 I HA 0.152 4.321 4.170 -0.002 0.000 0.329 183 I C 0.052 176.233 176.117 0.108 0.000 1.295 183 I CA -0.238 61.152 61.300 0.151 0.000 1.129 183 I CB -0.154 37.905 38.000 0.099 0.000 1.008 183 I HN -0.136 nan 8.210 nan 0.000 0.413 184 Q N 2.136 121.993 119.800 0.096 0.000 2.373 184 Q HA 0.225 4.564 4.340 -0.002 0.000 0.255 184 Q C -1.579 174.482 176.000 0.101 0.000 0.980 184 Q CA -1.992 53.856 55.803 0.075 0.000 0.882 184 Q CB 0.631 29.412 28.738 0.072 0.000 1.249 184 Q HN 0.048 nan 8.270 nan 0.000 0.438 185 P HA -0.185 nan 4.420 nan 0.000 0.216 185 P C 1.077 178.427 177.300 0.084 0.000 1.153 185 P CA 1.953 65.099 63.100 0.076 0.000 0.858 185 P CB 0.168 31.899 31.700 0.053 0.000 0.789 186 G N -0.672 108.172 108.800 0.073 0.000 2.418 186 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.217 186 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.217 186 G C 1.604 176.539 174.900 0.059 0.000 1.158 186 G CA 0.708 45.840 45.100 0.055 0.000 0.771 186 G HN 0.166 nan 8.290 nan 0.000 0.545 187 V N 1.318 121.298 119.914 0.110 0.000 2.323 187 V HA -0.139 3.980 4.120 -0.002 0.000 0.244 187 V C 2.955 179.248 176.094 0.332 0.000 1.041 187 V CA 1.597 64.001 62.300 0.173 0.000 1.025 187 V CB -0.365 31.589 31.823 0.218 0.000 0.656 187 V HN 0.262 nan 8.190 nan 0.000 0.451 188 M N -0.170 119.622 119.600 0.319 0.000 2.106 188 M HA -0.204 4.275 4.480 -0.002 0.000 0.259 188 M C 2.359 178.810 176.300 0.252 0.000 1.068 188 M CA 1.869 57.377 55.300 0.346 0.000 1.100 188 M CB -1.227 31.509 32.600 0.228 0.000 1.351 188 M HN 0.282 nan 8.290 nan 0.000 0.404 189 R N 0.836 121.425 120.500 0.148 0.000 2.075 189 R HA 0.017 4.356 4.340 -0.002 0.000 0.232 189 R C 2.141 178.457 176.300 0.027 0.000 1.126 189 R CA 1.979 58.135 56.100 0.093 0.000 0.963 189 R CB -0.959 29.382 30.300 0.068 0.000 0.858 189 R HN 0.313 nan 8.270 nan 0.000 0.435 190 A N -0.322 122.441 122.820 -0.095 0.000 1.883 190 A HA -0.147 4.172 4.320 -0.002 0.000 0.217 190 A C 2.144 179.380 177.584 -0.580 0.000 1.186 190 A CA 1.668 53.437 52.037 -0.446 0.000 0.624 190 A CB -0.867 17.698 19.000 -0.725 0.000 0.822 190 A HN 0.381 nan 8.150 nan 0.000 0.444 191 F N 0.442 120.256 119.950 -0.226 0.000 2.146 191 F HA -0.130 4.396 4.527 -0.002 0.000 0.298 191 F C 2.114 178.023 175.800 0.181 0.000 1.096 191 F CA 1.730 59.746 58.000 0.026 0.000 1.275 191 F CB -0.403 38.794 39.000 0.329 0.000 1.008 191 F HN 0.192 nan 8.300 nan 0.000 0.480 192 D N -0.216 120.385 120.400 0.336 0.000 2.182 192 D HA -0.160 4.479 4.640 -0.002 0.000 0.201 192 D C 1.939 178.369 176.300 0.217 0.000 0.986 192 D CA 0.960 55.124 54.000 0.273 0.000 0.847 192 D CB -0.426 40.478 40.800 0.174 0.000 0.942 192 D HN 0.199 nan 8.370 nan 0.000 0.467 193 N N -0.086 118.695 118.700 0.135 0.000 2.135 193 N HA -0.118 4.621 4.740 -0.002 0.000 0.186 193 N C 1.700 177.270 175.510 0.101 0.000 1.027 193 N CA 0.307 53.425 53.050 0.113 0.000 0.849 193 N CB -0.528 37.971 38.487 0.021 0.000 1.002 193 N HN 0.182 nan 8.380 nan 0.000 0.425 194 F N 0.400 120.290 119.950 -0.100 0.000 2.095 194 F HA -0.175 4.351 4.527 -0.002 0.000 0.298 194 F C 1.582 177.297 175.800 -0.140 0.000 1.104 194 F CA 1.526 59.438 58.000 -0.146 0.000 1.232 194 F CB -0.481 38.359 39.000 -0.266 0.000 0.987 194 F HN 0.061 nan 8.300 nan 0.000 0.475 195 W N 0.186 121.607 121.300 0.202 0.000 3.077 195 W HA 0.051 4.710 4.660 -0.001 0.000 0.245 195 W C 1.034 177.569 176.519 0.025 0.000 1.316 195 W CA 0.437 57.837 57.345 0.093 0.000 1.537 195 W CB -0.631 28.972 29.460 0.238 0.000 1.131 195 W HN 0.121 nan 8.180 nan 0.000 0.695 196 N N -0.265 118.546 118.700 0.186 0.000 2.714 196 N HA -0.221 4.518 4.740 -0.002 0.000 0.250 196 N C 0.594 176.191 175.510 0.144 0.000 1.117 196 N CA 1.529 54.661 53.050 0.136 0.000 0.719 196 N CB -1.316 37.222 38.487 0.085 0.000 1.081 196 N HN 0.031 nan 8.380 nan 0.000 0.557 197 T N -1.957 112.711 114.554 0.191 0.000 2.833 197 T HA -0.162 4.187 4.350 -0.002 0.000 0.269 197 T C 1.823 176.579 174.700 0.094 0.000 1.054 197 T CA 2.004 64.187 62.100 0.138 0.000 1.135 197 T CB -0.435 68.524 68.868 0.151 0.000 0.869 197 T HN 0.684 nan 8.240 nan 0.000 0.466 198 T N -1.059 113.554 114.554 0.099 0.000 3.055 198 T HA 0.275 4.624 4.350 -0.002 0.000 0.265 198 T C 2.011 176.733 174.700 0.036 0.000 1.111 198 T CA 1.026 63.167 62.100 0.068 0.000 1.118 198 T CB -0.424 68.493 68.868 0.082 0.000 0.909 198 T HN 0.520 nan 8.240 nan 0.000 0.501 199 G N 1.634 110.456 108.800 0.036 0.000 2.184 199 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.264 199 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.264 199 G C 0.879 175.751 174.900 -0.046 0.000 0.975 199 G CA 0.555 45.659 45.100 0.005 0.000 0.642 199 G HN 0.578 nan 8.290 nan 0.000 0.536 200 K N -0.310 120.042 120.400 -0.080 0.000 2.379 200 K HA 0.132 4.451 4.320 -0.002 0.000 0.194 200 K C 0.316 176.568 176.600 -0.580 0.000 1.031 200 K CA 0.380 56.498 56.287 -0.283 0.000 1.037 200 K CB 0.277 32.608 32.500 -0.282 0.000 0.824 200 K HN 0.544 nan 8.250 nan 0.000 0.516 201 H N 0.378 119.402 119.070 -0.077 0.000 2.597 201 H HA 0.131 4.686 4.556 -0.002 0.000 0.225 201 H C -2.164 173.153 175.328 -0.018 0.000 1.422 201 H CA -1.463 54.537 56.048 -0.081 0.000 1.335 201 H CB 1.119 30.787 29.762 -0.156 0.000 1.783 201 H HN 0.004 nan 8.280 nan 0.000 0.513 202 P HA -0.149 nan 4.420 nan 0.000 0.225 202 P C 1.458 178.819 177.300 0.101 0.000 1.148 202 P CA 0.951 64.088 63.100 0.061 0.000 0.779 202 P CB 0.446 32.170 31.700 0.040 0.000 0.780 203 E N 0.781 121.084 120.200 0.171 0.000 2.274 203 E HA -0.102 4.247 4.350 -0.002 0.000 0.194 203 E C 1.976 178.816 176.600 0.399 0.000 0.996 203 E CA 0.629 57.197 56.400 0.280 0.000 0.840 203 E CB -1.164 28.753 29.700 0.362 0.000 0.772 203 E HN 0.276 nan 8.360 nan 0.000 0.491 204 L N 0.760 122.160 121.223 0.296 0.000 2.027 204 L HA -0.130 4.209 4.340 -0.002 0.000 0.206 204 L C 2.754 179.716 176.870 0.152 0.000 1.074 204 L CA 0.970 56.012 54.840 0.337 0.000 0.745 204 L CB -0.388 41.793 42.059 0.204 0.000 0.898 204 L HN -0.008 nan 8.230 nan 0.000 0.433 205 V N -0.050 119.741 119.914 -0.205 0.000 2.407 205 V HA -0.278 3.841 4.120 -0.002 0.000 0.248 205 V C 2.366 178.535 176.094 0.125 0.000 1.055 205 V CA 1.773 63.954 62.300 -0.198 0.000 1.049 205 V CB -0.489 31.207 31.823 -0.210 0.000 0.662 205 V HN 0.469 nan 8.190 nan 0.000 0.455 206 E N -1.030 119.264 120.200 0.158 0.000 2.058 206 E HA -0.234 4.115 4.350 -0.002 0.000 0.194 206 E C 2.239 178.980 176.600 0.234 0.000 0.997 206 E CA 1.433 57.934 56.400 0.168 0.000 0.801 206 E CB -0.252 29.516 29.700 0.114 0.000 0.746 206 E HN 0.679 nan 8.360 nan 0.000 0.450 207 H N -0.547 118.739 119.070 0.359 0.000 2.319 207 H HA -0.180 4.375 4.556 -0.002 0.000 0.299 207 H C 2.093 177.694 175.328 0.454 0.000 1.092 207 H CA 1.769 58.136 56.048 0.532 0.000 1.302 207 H CB -0.371 29.920 29.762 0.882 0.000 1.373 207 H HN 0.247 nan 8.280 nan 0.000 0.497 208 Y N 1.069 121.514 120.300 0.242 0.000 2.128 208 Y HA -0.266 4.283 4.550 -0.002 0.000 0.284 208 Y C 2.737 178.652 175.900 0.026 0.000 1.154 208 Y CA 1.657 59.611 58.100 -0.243 0.000 1.149 208 Y CB -0.414 37.864 38.460 -0.302 0.000 0.976 208 Y HN 0.183 nan 8.280 nan 0.000 0.505 209 A N -0.044 122.936 122.820 0.267 0.000 1.902 209 A HA -0.198 4.121 4.320 -0.002 0.000 0.217 209 A C 2.168 179.848 177.584 0.160 0.000 1.181 209 A CA 1.991 54.166 52.037 0.230 0.000 0.623 209 A CB -0.509 18.613 19.000 0.205 0.000 0.818 209 A HN 0.511 nan 8.150 nan 0.000 0.443 210 K N -0.408 120.089 120.400 0.160 0.000 2.228 210 K HA 0.116 4.435 4.320 -0.002 0.000 0.202 210 K C 2.200 178.814 176.600 0.023 0.000 1.051 210 K CA 0.735 57.100 56.287 0.131 0.000 0.960 210 K CB -0.200 32.422 32.500 0.203 0.000 0.743 210 K HN 0.436 nan 8.250 nan 0.000 0.458 211 A N 0.638 123.507 122.820 0.082 0.000 1.898 211 A HA -0.159 4.160 4.320 -0.002 0.000 0.216 211 A C 1.805 179.226 177.584 -0.271 0.000 1.181 211 A CA 0.987 52.983 52.037 -0.069 0.000 0.620 211 A CB -0.809 18.231 19.000 0.067 0.000 0.819 211 A HN 0.447 nan 8.150 nan 0.000 0.442 212 W N -0.187 120.947 121.300 -0.276 0.000 2.358 212 W HA -0.141 4.519 4.660 -0.001 0.000 0.303 212 W C 2.632 179.001 176.519 -0.249 0.000 1.208 212 W CA 1.609 58.785 57.345 -0.281 0.000 1.274 212 W CB -0.032 29.276 29.460 -0.254 0.000 1.138 212 W HN 0.308 nan 8.180 nan 0.000 0.515 213 R N 0.504 121.050 120.500 0.075 0.000 2.103 213 R HA -0.223 4.116 4.340 -0.002 0.000 0.242 213 R C 2.158 178.409 176.300 -0.083 0.000 1.142 213 R CA 1.864 57.967 56.100 0.006 0.000 0.960 213 R CB -0.625 29.680 30.300 0.008 0.000 0.858 213 R HN 0.162 nan 8.270 nan 0.000 0.439 214 A N 0.168 122.834 122.820 -0.257 0.000 1.877 214 A HA -0.119 4.200 4.320 -0.002 0.000 0.216 214 A C 2.275 179.764 177.584 -0.158 0.000 1.186 214 A CA 1.715 53.539 52.037 -0.356 0.000 0.620 214 A CB -0.580 17.867 19.000 -0.920 0.000 0.822 214 A HN 0.236 nan 8.150 nan 0.000 0.443 215 V N -0.183 119.655 119.914 -0.127 0.000 2.295 215 V HA -0.240 3.879 4.120 -0.002 0.000 0.246 215 V C 3.038 179.216 176.094 0.140 0.000 1.049 215 V CA 1.975 64.285 62.300 0.017 0.000 1.024 215 V CB -1.248 30.473 31.823 -0.169 0.000 0.648 215 V HN 0.613 nan 8.190 nan 0.000 0.447 216 A N -0.188 122.646 122.820 0.023 0.000 1.969 216 A HA -0.264 4.055 4.320 -0.002 0.000 0.218 216 A C 2.034 179.712 177.584 0.157 0.000 1.169 216 A CA 1.942 54.024 52.037 0.074 0.000 0.635 216 A CB -0.607 18.401 19.000 0.013 0.000 0.810 216 A HN 0.571 nan 8.150 nan 0.000 0.445 217 D N -0.486 119.951 120.400 0.061 0.000 2.144 217 D HA -0.165 4.474 4.640 -0.002 0.000 0.200 217 D C 2.090 178.384 176.300 -0.011 0.000 0.978 217 D CA 1.294 55.311 54.000 0.027 0.000 0.833 217 D CB -0.075 40.719 40.800 -0.010 0.000 0.961 217 D HN 0.316 nan 8.370 nan 0.000 0.470 218 R N -0.791 119.669 120.500 -0.066 0.000 2.092 218 R HA 0.012 4.351 4.340 -0.002 0.000 0.231 218 R C 1.467 177.527 176.300 -0.399 0.000 1.119 218 R CA 1.297 57.221 56.100 -0.292 0.000 0.970 218 R CB -0.681 29.330 30.300 -0.481 0.000 0.864 218 R HN 0.205 nan 8.270 nan 0.000 0.440 219 F N -0.342 119.668 119.950 0.100 0.000 2.695 219 F HA 0.437 4.962 4.527 -0.002 0.000 0.303 219 F C 1.856 177.763 175.800 0.179 0.000 1.091 219 F CA 0.200 58.291 58.000 0.151 0.000 1.300 219 F CB 0.003 39.143 39.000 0.233 0.000 1.071 219 F HN 0.101 nan 8.300 nan 0.000 0.578 220 A N 0.017 123.004 122.820 0.277 0.000 1.917 220 A HA -0.213 4.106 4.320 -0.002 0.000 0.219 220 A C 1.639 179.305 177.584 0.138 0.000 1.182 220 A CA 2.236 54.398 52.037 0.208 0.000 0.633 220 A CB -0.525 18.561 19.000 0.143 0.000 0.819 220 A HN 0.219 nan 8.150 nan 0.000 0.448 221 D N -0.407 120.053 120.400 0.099 0.000 2.342 221 D HA 0.037 4.676 4.640 -0.002 0.000 0.221 221 D C -0.062 176.288 176.300 0.083 0.000 1.101 221 D CA -0.052 53.990 54.000 0.070 0.000 0.837 221 D CB -0.232 40.590 40.800 0.037 0.000 0.938 221 D HN 0.287 nan 8.370 nan 0.000 0.508 222 N N 1.722 120.504 118.700 0.136 0.000 2.420 222 N HA -0.010 4.729 4.740 -0.002 0.000 0.249 222 N C 0.350 175.944 175.510 0.140 0.000 1.033 222 N CA -0.117 53.029 53.050 0.161 0.000 0.944 222 N CB 1.069 39.738 38.487 0.304 0.000 1.113 222 N HN -0.142 nan 8.380 nan 0.000 0.502 223 D N 2.632 123.096 120.400 0.107 0.000 2.350 223 D HA -0.063 4.576 4.640 -0.002 0.000 0.216 223 D C 1.247 177.610 176.300 0.106 0.000 0.968 223 D CA 0.523 54.580 54.000 0.095 0.000 0.894 223 D CB 0.321 41.167 40.800 0.077 0.000 0.909 223 D HN 0.646 nan 8.370 nan 0.000 0.520 224 A N 0.199 123.090 122.820 0.120 0.000 2.081 224 A HA 0.080 4.399 4.320 -0.002 0.000 0.214 224 A C 1.158 178.808 177.584 0.111 0.000 1.158 224 A CA 0.039 52.153 52.037 0.128 0.000 0.724 224 A CB 0.340 19.424 19.000 0.141 0.000 0.826 224 A HN 0.036 nan 8.150 nan 0.000 0.463 225 V N 0.407 120.381 119.914 0.099 0.000 2.455 225 V HA 0.184 4.303 4.120 -0.002 0.000 0.273 225 V C 1.161 177.280 176.094 0.041 0.000 1.045 225 V CA 0.319 62.652 62.300 0.054 0.000 0.976 225 V CB 1.291 33.157 31.823 0.072 0.000 0.993 225 V HN 0.161 nan 8.190 nan 0.000 0.475 226 V N 4.220 124.165 119.914 0.051 0.000 3.612 226 V HA 0.684 4.803 4.120 -0.002 0.000 0.268 226 V C 0.587 176.719 176.094 0.063 0.000 1.365 226 V CA 0.983 63.336 62.300 0.089 0.000 1.044 226 V CB 0.645 32.545 31.823 0.128 0.000 0.820 226 V HN 0.929 nan 8.190 nan 0.000 0.444 227 A N -0.763 122.034 122.820 -0.038 0.000 2.574 227 A HA 0.765 5.084 4.320 -0.002 0.000 0.297 227 A C -2.109 175.432 177.584 -0.072 0.000 1.062 227 A CA -0.388 51.634 52.037 -0.025 0.000 0.686 227 A CB 1.216 20.303 19.000 0.144 0.000 1.285 227 A HN 0.182 nan 8.150 nan 0.000 0.403 228 Y N 1.059 121.404 120.300 0.075 0.000 2.328 228 Y HA 0.433 4.982 4.550 -0.002 0.000 0.333 228 Y C -0.183 175.667 175.900 -0.083 0.000 0.958 228 Y CA -1.353 56.718 58.100 -0.049 0.000 1.167 228 Y CB 1.738 39.931 38.460 -0.445 0.000 1.151 228 Y HN 0.668 nan 8.280 nan 0.000 0.470 229 D N 4.163 124.731 120.400 0.281 0.000 2.411 229 D HA 0.193 4.832 4.640 -0.002 0.000 0.225 229 D C 0.821 177.327 176.300 0.342 0.000 1.156 229 D CA 0.099 54.253 54.000 0.255 0.000 0.874 229 D CB 0.796 41.789 40.800 0.323 0.000 1.034 229 D HN 0.623 nan 8.370 nan 0.000 0.502 230 L N 2.695 124.007 121.223 0.148 0.000 2.083 230 L HA 0.006 4.345 4.340 -0.002 0.000 0.209 230 L C 1.303 178.609 176.870 0.726 0.000 1.083 230 L CA 0.789 55.768 54.840 0.231 0.000 0.752 230 L CB -0.204 41.916 42.059 0.103 0.000 0.899 230 L HN 0.450 nan 8.230 nan 0.000 0.433 231 M N -0.398 119.559 119.600 0.595 0.000 2.274 231 M HA 0.243 4.722 4.480 -0.002 0.000 0.272 231 M C -1.169 175.359 176.300 0.380 0.000 1.053 231 M CA -0.552 55.077 55.300 0.547 0.000 0.978 231 M CB 1.931 34.858 32.600 0.545 0.000 1.836 231 M HN -0.144 nan 8.290 nan 0.000 0.484 232 N N 3.565 122.430 118.700 0.276 0.000 2.483 232 N HA 0.051 4.790 4.740 -0.002 0.000 0.264 232 N C -0.753 174.847 175.510 0.151 0.000 1.197 232 N CA 0.992 54.131 53.050 0.149 0.000 0.927 232 N CB 0.487 38.865 38.487 -0.181 0.000 1.065 232 N HN 0.750 nan 8.380 nan 0.000 0.461 233 E N 0.468 120.733 120.200 0.109 0.000 2.202 233 E HA -0.203 4.146 4.350 -0.002 0.000 0.169 233 E C -2.059 174.684 176.600 0.240 0.000 1.536 233 E CA -0.043 56.430 56.400 0.121 0.000 0.664 233 E CB -1.234 28.560 29.700 0.156 0.000 1.064 233 E HN 0.599 nan 8.360 nan 0.000 0.327 234 P HA -0.041 nan 4.420 nan 0.000 0.262 234 P C -0.624 176.938 177.300 0.437 0.000 1.182 234 P CA 0.651 64.041 63.100 0.485 0.000 0.761 234 P CB 0.202 32.160 31.700 0.431 0.000 0.795 235 F N 2.599 122.643 119.950 0.158 0.000 2.529 235 F HA 0.584 5.110 4.527 -0.002 0.000 0.320 235 F C 0.945 176.327 175.800 -0.697 0.000 1.118 235 F CA -0.439 57.310 58.000 -0.418 0.000 0.915 235 F CB 1.644 40.142 39.000 -0.837 0.000 1.161 235 F HN 0.340 nan 8.300 nan 0.000 0.445 236 G N 2.914 110.537 108.800 -1.963 0.000 3.042 236 G HA2 0.384 4.343 3.960 -0.002 0.000 0.212 236 G HA3 0.384 4.343 3.960 -0.002 0.000 0.212 236 G C 0.910 175.120 174.900 -1.149 0.000 1.166 236 G CA 0.357 44.049 45.100 -2.347 0.000 0.767 236 G HN 1.412 nan 8.290 nan 0.000 0.546 237 G N 0.720 108.747 108.800 -1.289 0.000 2.596 237 G HA2 -0.369 3.590 3.960 -0.002 0.000 0.304 237 G HA3 -0.369 3.590 3.960 -0.002 0.000 0.304 237 G C 1.469 176.127 174.900 -0.403 0.000 1.189 237 G CA 0.727 45.542 45.100 -0.474 0.000 0.986 237 G HN 0.630 nan 8.290 nan 0.000 0.548 238 S N 0.568 116.169 115.700 -0.164 0.000 2.515 238 S HA 0.222 4.691 4.470 -0.002 0.000 0.231 238 S C 1.111 175.606 174.600 -0.175 0.000 0.987 238 S CA 0.771 58.897 58.200 -0.123 0.000 0.936 238 S CB -0.155 63.027 63.200 -0.031 0.000 0.766 238 S HN 0.460 nan 8.310 nan 0.000 0.528 239 L N 2.445 123.503 121.223 -0.275 0.000 2.289 239 L HA 0.456 4.794 4.340 -0.002 0.000 0.285 239 L C -0.112 176.524 176.870 -0.390 0.000 1.049 239 L CA -0.388 54.298 54.840 -0.258 0.000 0.804 239 L CB 0.861 42.802 42.059 -0.196 0.000 1.195 239 L HN 0.094 nan 8.230 nan 0.000 0.428 240 Q N 2.147 121.821 119.800 -0.210 0.000 2.379 240 Q HA 0.623 4.962 4.340 -0.002 0.000 0.278 240 Q C 0.086 176.058 176.000 -0.048 0.000 1.068 240 Q CA -0.157 55.539 55.803 -0.177 0.000 0.816 240 Q CB 2.666 31.286 28.738 -0.198 0.000 1.387 240 Q HN 0.799 nan 8.270 nan 0.000 0.413 241 G N 2.121 110.922 108.800 0.002 0.000 2.584 241 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.229 241 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.229 241 G C -2.061 172.839 174.900 -0.001 0.000 1.320 241 G CA -0.228 44.873 45.100 0.002 0.000 0.891 241 G HN 0.467 nan 8.290 nan 0.000 0.573 242 P HA -0.061 nan 4.420 nan 0.000 0.217 242 P C 2.299 179.567 177.300 -0.053 0.000 1.151 242 P CA 3.272 66.344 63.100 -0.047 0.000 0.849 242 P CB -0.284 31.394 31.700 -0.037 0.000 0.787 243 A N -1.491 121.311 122.820 -0.031 0.000 1.958 243 A HA -0.248 4.071 4.320 -0.002 0.000 0.221 243 A C 2.075 179.652 177.584 -0.012 0.000 1.178 243 A CA 1.812 53.834 52.037 -0.026 0.000 0.642 243 A CB -1.648 17.338 19.000 -0.023 0.000 0.816 243 A HN 0.199 nan 8.150 nan 0.000 0.453 244 F N 0.311 120.137 119.950 -0.206 0.000 2.164 244 F HA 0.103 4.629 4.527 -0.002 0.000 0.287 244 F C 2.109 177.723 175.800 -0.311 0.000 1.086 244 F CA 1.447 59.257 58.000 -0.317 0.000 1.249 244 F CB -0.666 38.105 39.000 -0.383 0.000 1.059 244 F HN 0.317 nan 8.300 nan 0.000 0.490 245 E N 0.344 120.249 120.200 -0.491 0.000 2.077 245 E HA -0.139 4.210 4.350 -0.002 0.000 0.193 245 E C 2.074 178.453 176.600 -0.367 0.000 0.989 245 E CA 1.185 57.239 56.400 -0.577 0.000 0.800 245 E CB -0.395 29.138 29.700 -0.278 0.000 0.746 245 E HN 0.433 nan 8.360 nan 0.000 0.452 246 A N 0.800 123.488 122.820 -0.220 0.000 2.208 246 A HA 0.175 4.493 4.320 -0.002 0.000 0.209 246 A C 1.537 179.040 177.584 -0.136 0.000 1.161 246 A CA 0.833 52.784 52.037 -0.143 0.000 0.782 246 A CB -0.039 18.908 19.000 -0.090 0.000 0.816 246 A HN 0.276 nan 8.150 nan 0.000 0.477 247 G N 0.000 108.695 108.800 -0.176 0.000 3.223 247 G HA2 0.293 4.252 3.960 -0.002 0.000 0.198 247 G HA3 0.293 4.252 3.960 -0.002 0.000 0.198 247 G C -0.854 173.952 174.900 -0.157 0.000 1.980 247 G CA 0.438 45.463 45.100 -0.125 0.000 0.828 247 G HN 0.190 nan 8.290 nan 0.000 0.680 248 P HA -0.032 nan 4.420 nan 0.000 0.220 248 P C 2.062 179.206 177.300 -0.260 0.000 1.148 248 P CA 0.547 63.594 63.100 -0.088 0.000 0.803 248 P CB 0.104 31.837 31.700 0.056 0.000 0.782 249 L N 0.693 121.484 121.223 -0.720 0.000 1.976 249 L HA -0.070 4.269 4.340 -0.002 0.000 0.209 249 L C 2.578 179.108 176.870 -0.566 0.000 1.071 249 L CA 2.295 56.590 54.840 -0.908 0.000 0.746 249 L CB -1.665 39.557 42.059 -1.395 0.000 0.890 249 L HN -0.077 nan 8.230 nan 0.000 0.432 250 A N -0.570 122.044 122.820 -0.344 0.000 1.940 250 A HA -0.160 4.159 4.320 -0.002 0.000 0.219 250 A C 2.425 180.002 177.584 -0.011 0.000 1.176 250 A CA 2.055 54.044 52.037 -0.079 0.000 0.631 250 A CB -1.235 17.732 19.000 -0.055 0.000 0.814 250 A HN 0.616 nan 8.150 nan 0.000 0.446 251 A N -0.900 121.894 122.820 -0.042 0.000 1.902 251 A HA -0.128 4.191 4.320 -0.002 0.000 0.217 251 A C 2.216 179.845 177.584 0.074 0.000 1.181 251 A CA 1.956 54.008 52.037 0.024 0.000 0.623 251 A CB -0.501 18.512 19.000 0.023 0.000 0.818 251 A HN 0.543 nan 8.150 nan 0.000 0.443 252 M N -1.297 118.351 119.600 0.080 0.000 2.099 252 M HA -0.136 4.343 4.480 -0.002 0.000 0.262 252 M C 1.951 178.380 176.300 0.216 0.000 1.067 252 M CA 1.846 57.242 55.300 0.159 0.000 1.124 252 M CB -0.834 31.929 32.600 0.271 0.000 1.353 252 M HN 0.457 nan 8.290 nan 0.000 0.410 253 Y N 0.864 121.251 120.300 0.145 0.000 2.165 253 Y HA -0.268 4.281 4.550 -0.002 0.000 0.286 253 Y C 2.734 178.669 175.900 0.059 0.000 1.155 253 Y CA 1.953 60.110 58.100 0.096 0.000 1.164 253 Y CB -1.468 37.026 38.460 0.057 0.000 0.978 253 Y HN 0.386 nan 8.280 nan 0.000 0.513 254 Q N 0.567 120.493 119.800 0.209 0.000 2.050 254 Q HA -0.170 4.169 4.340 -0.002 0.000 0.202 254 Q C 2.465 178.527 176.000 0.103 0.000 0.980 254 Q CA 1.866 57.740 55.803 0.119 0.000 0.840 254 Q CB -0.340 28.447 28.738 0.081 0.000 0.898 254 Q HN 0.383 nan 8.270 nan 0.000 0.424 255 R N -1.086 119.483 120.500 0.116 0.000 2.105 255 R HA -0.120 4.219 4.340 -0.002 0.000 0.239 255 R C 1.779 178.152 176.300 0.122 0.000 1.135 255 R CA 1.888 58.053 56.100 0.109 0.000 0.967 255 R CB -0.274 30.096 30.300 0.116 0.000 0.861 255 R HN 0.317 nan 8.270 nan 0.000 0.442 256 T N -0.335 114.313 114.554 0.158 0.000 2.851 256 T HA -0.051 4.298 4.350 -0.002 0.000 0.262 256 T C 1.675 176.408 174.700 0.056 0.000 1.043 256 T CA 1.590 63.776 62.100 0.143 0.000 1.140 256 T CB -0.189 68.805 68.868 0.209 0.000 0.872 256 T HN 0.341 nan 8.240 nan 0.000 0.446 257 T N 2.328 116.912 114.554 0.050 0.000 2.684 257 T HA -0.140 4.209 4.350 -0.002 0.000 0.267 257 T C 1.694 176.408 174.700 0.023 0.000 1.036 257 T CA 1.413 63.520 62.100 0.012 0.000 1.148 257 T CB -0.512 68.364 68.868 0.013 0.000 0.863 257 T HN 0.335 nan 8.240 nan 0.000 0.436 258 D N 1.323 121.746 120.400 0.039 0.000 2.104 258 D HA -0.042 4.597 4.640 -0.002 0.000 0.194 258 D C 2.371 178.695 176.300 0.041 0.000 0.994 258 D CA 1.330 55.352 54.000 0.036 0.000 0.830 258 D CB -0.580 40.245 40.800 0.041 0.000 0.959 258 D HN 0.412 nan 8.370 nan 0.000 0.452 259 A N 0.703 123.556 122.820 0.055 0.000 1.902 259 A HA -0.147 4.172 4.320 -0.002 0.000 0.217 259 A C 2.407 180.023 177.584 0.053 0.000 1.181 259 A CA 0.991 53.064 52.037 0.060 0.000 0.623 259 A CB -0.777 18.273 19.000 0.083 0.000 0.818 259 A HN 0.202 nan 8.150 nan 0.000 0.443 260 I N -0.897 119.701 120.570 0.048 0.000 2.226 260 I HA -0.220 3.949 4.170 -0.002 0.000 0.245 260 I C 2.344 178.500 176.117 0.065 0.000 1.100 260 I CA 0.983 62.315 61.300 0.053 0.000 1.374 260 I CB -0.217 37.801 38.000 0.030 0.000 1.057 260 I HN 0.187 nan 8.210 nan 0.000 0.413 261 R N 0.679 121.204 120.500 0.043 0.000 2.316 261 R HA -0.060 4.279 4.340 -0.002 0.000 0.202 261 R C 1.881 178.198 176.300 0.029 0.000 1.029 261 R CA 0.534 56.651 56.100 0.029 0.000 1.018 261 R CB -0.289 30.015 30.300 0.007 0.000 0.888 261 R HN 0.576 nan 8.270 nan 0.000 0.471 262 Q N 0.010 119.831 119.800 0.035 0.000 2.230 262 Q HA -0.062 4.277 4.340 -0.002 0.000 0.202 262 Q C 1.763 177.784 176.000 0.035 0.000 0.963 262 Q CA 1.477 57.299 55.803 0.032 0.000 0.866 262 Q CB 0.395 29.154 28.738 0.034 0.000 0.931 262 Q HN 0.270 nan 8.270 nan 0.000 0.452 263 V N -4.448 115.494 119.914 0.047 0.000 3.548 263 V HA 0.281 4.400 4.120 -0.002 0.000 0.279 263 V C -0.244 175.895 176.094 0.074 0.000 1.446 263 V CA -0.242 62.090 62.300 0.053 0.000 1.023 263 V CB 1.158 33.011 31.823 0.051 0.000 0.820 263 V HN -0.031 nan 8.190 nan 0.000 0.438 264 D N 0.301 120.753 120.400 0.088 0.000 2.616 264 D HA 0.324 4.963 4.640 -0.002 0.000 0.238 264 D C 0.395 176.733 176.300 0.063 0.000 1.354 264 D CA -0.167 53.901 54.000 0.113 0.000 0.970 264 D CB 2.194 43.134 40.800 0.235 0.000 1.369 264 D HN 0.018 nan 8.370 nan 0.000 0.585 265 Q N 1.649 121.464 119.800 0.023 0.000 2.376 265 Q HA 0.092 4.431 4.340 -0.002 0.000 0.206 265 Q C 0.164 176.120 176.000 -0.073 0.000 0.921 265 Q CA 0.785 56.575 55.803 -0.022 0.000 0.911 265 Q CB 0.789 29.514 28.738 -0.022 0.000 1.032 265 Q HN 0.509 nan 8.270 nan 0.000 0.510 266 D N -0.218 120.143 120.400 -0.064 0.000 2.454 266 D HA 0.049 4.688 4.640 -0.002 0.000 0.219 266 D C 0.031 176.231 176.300 -0.167 0.000 1.081 266 D CA 0.257 54.186 54.000 -0.118 0.000 0.867 266 D CB 0.490 41.261 40.800 -0.047 0.000 1.054 266 D HN -0.014 nan 8.370 nan 0.000 0.500 267 T N 1.257 115.740 114.554 -0.119 0.000 2.916 267 T HA 0.029 4.378 4.350 -0.002 0.000 0.303 267 T C 0.031 174.616 174.700 -0.192 0.000 1.025 267 T CA -0.201 61.794 62.100 -0.176 0.000 1.142 267 T CB 0.484 69.086 68.868 -0.444 0.000 0.947 267 T HN -0.019 nan 8.240 nan 0.000 0.544 268 W N 2.348 123.546 121.300 -0.170 0.000 2.253 268 W HA 0.381 5.039 4.660 -0.002 0.000 0.322 268 W C -0.188 176.257 176.519 -0.124 0.000 1.342 268 W CA -0.462 56.818 57.345 -0.109 0.000 1.218 268 W CB 0.217 29.635 29.460 -0.071 0.000 1.205 268 W HN 0.273 nan 8.180 nan 0.000 0.551 269 V N 5.057 125.023 119.914 0.086 0.000 2.364 269 V HA 0.196 4.315 4.120 -0.002 0.000 0.272 269 V C -0.064 176.052 176.094 0.036 0.000 1.036 269 V CA -0.839 61.474 62.300 0.021 0.000 0.880 269 V CB 0.247 32.045 31.823 -0.041 0.000 0.991 269 V HN 0.566 nan 8.190 nan 0.000 0.460 270 C N 5.742 125.048 119.300 0.010 0.000 2.329 270 C HA 0.746 5.205 4.460 -0.002 0.000 0.329 270 C C 0.197 175.120 174.990 -0.112 0.000 1.275 270 C CA -0.851 58.176 59.018 0.015 0.000 1.726 270 C CB 0.797 28.589 27.740 0.087 0.000 2.291 270 C HN 0.766 nan 8.230 nan 0.000 0.514 271 V N 0.913 120.730 119.914 -0.161 0.000 2.680 271 V HA 0.986 5.105 4.120 -0.002 0.000 0.309 271 V C -0.070 175.975 176.094 -0.081 0.000 1.052 271 V CA -0.481 61.556 62.300 -0.439 0.000 0.908 271 V CB 1.345 32.728 31.823 -0.734 0.000 1.001 271 V HN 1.076 nan 8.190 nan 0.000 0.431 272 A N 5.469 128.304 122.820 0.025 0.000 2.320 272 A HA 1.029 5.348 4.320 -0.002 0.000 0.334 272 A C -2.544 175.196 177.584 0.261 0.000 1.147 272 A CA -2.005 50.087 52.037 0.092 0.000 0.820 272 A CB 1.381 20.410 19.000 0.049 0.000 1.218 272 A HN 0.812 nan 8.150 nan 0.000 0.482 273 P HA 0.196 nan 4.420 nan 0.000 0.277 273 P C -0.743 176.633 177.300 0.125 0.000 1.271 273 P CA -0.419 62.798 63.100 0.195 0.000 0.795 273 P CB 0.313 32.139 31.700 0.210 0.000 1.101 274 Q N -0.274 119.584 119.800 0.096 0.000 2.361 274 Q HA 0.231 4.570 4.340 -0.002 0.000 0.276 274 Q C 0.720 176.790 176.000 0.117 0.000 1.022 274 Q CA -0.142 55.760 55.803 0.164 0.000 0.898 274 Q CB 0.424 29.308 28.738 0.242 0.000 1.246 274 Q HN 0.430 nan 8.270 nan 0.000 0.410 275 A N 3.985 126.869 122.820 0.106 0.000 1.898 275 A HA -0.014 4.305 4.320 -0.002 0.000 0.214 275 A C 0.916 178.548 177.584 0.080 0.000 1.183 275 A CA 0.211 52.298 52.037 0.084 0.000 0.622 275 A CB -0.143 18.904 19.000 0.079 0.000 0.824 275 A HN 0.806 nan 8.150 nan 0.000 0.444 276 I N 0.008 120.603 120.570 0.041 0.000 2.668 276 I HA 0.386 4.554 4.170 -0.002 0.000 0.285 276 I C 1.415 177.556 176.117 0.040 0.000 1.168 276 I CA 1.205 62.516 61.300 0.019 0.000 1.424 276 I CB 0.122 38.121 38.000 -0.003 0.000 1.377 276 I HN 0.710 nan 8.210 nan 0.000 0.560 277 G N 4.847 113.677 108.800 0.049 0.000 3.329 277 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.220 277 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.220 277 G C 0.925 175.884 174.900 0.098 0.000 1.358 277 G CA 0.298 45.434 45.100 0.059 0.000 0.856 277 G HN 0.638 nan 8.290 nan 0.000 0.551 278 V N 1.780 121.760 119.914 0.110 0.000 2.427 278 V HA -0.139 3.980 4.120 -0.002 0.000 0.248 278 V C 2.554 178.795 176.094 0.246 0.000 1.051 278 V CA 2.607 64.997 62.300 0.151 0.000 1.048 278 V CB -0.653 31.248 31.823 0.130 0.000 0.666 278 V HN 0.507 nan 8.190 nan 0.000 0.456 279 N N 0.466 119.304 118.700 0.231 0.000 2.192 279 N HA -0.197 4.542 4.740 -0.002 0.000 0.188 279 N C 1.743 177.400 175.510 0.246 0.000 1.013 279 N CA 1.223 54.442 53.050 0.282 0.000 0.863 279 N CB -0.290 38.375 38.487 0.297 0.000 0.990 279 N HN 0.554 nan 8.380 nan 0.000 0.430 280 Q N -1.410 118.509 119.800 0.197 0.000 2.319 280 Q HA 0.371 4.709 4.340 -0.002 0.000 0.202 280 Q C 0.869 176.969 176.000 0.166 0.000 0.896 280 Q CA 0.430 56.325 55.803 0.153 0.000 0.942 280 Q CB 0.533 29.334 28.738 0.104 0.000 1.083 280 Q HN 0.345 nan 8.270 nan 0.000 0.510 281 G N -0.686 108.257 108.800 0.238 0.000 2.168 281 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.197 281 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.197 281 G C -0.429 174.555 174.900 0.140 0.000 0.997 281 G CA -0.533 44.710 45.100 0.238 0.000 0.658 281 G HN 0.144 nan 8.290 nan 0.000 0.513 282 L N 2.135 123.426 121.223 0.113 0.000 2.439 282 L HA 0.558 4.897 4.340 -0.002 0.000 0.261 282 L C -1.302 175.596 176.870 0.048 0.000 1.153 282 L CA -1.935 52.942 54.840 0.063 0.000 0.808 282 L CB 0.211 42.300 42.059 0.050 0.000 1.126 282 L HN -0.037 nan 8.230 nan 0.000 0.460 283 P HA 0.077 nan 4.420 nan 0.000 0.272 283 P C -0.831 176.483 177.300 0.023 0.000 1.223 283 P CA -0.406 62.694 63.100 -0.000 0.000 0.784 283 P CB 1.017 32.691 31.700 -0.043 0.000 0.923 284 S N 0.361 116.085 115.700 0.040 0.000 2.541 284 S HA 0.533 5.002 4.470 -0.002 0.000 0.283 284 S C 1.205 175.818 174.600 0.021 0.000 1.196 284 S CA -0.367 57.862 58.200 0.048 0.000 1.062 284 S CB 0.154 63.414 63.200 0.101 0.000 1.009 284 S HN 0.537 nan 8.310 nan 0.000 0.502 285 G N 3.306 112.103 108.800 -0.005 0.000 3.284 285 G HA2 0.210 4.169 3.960 -0.002 0.000 0.236 285 G HA3 0.210 4.169 3.960 -0.002 0.000 0.236 285 G C 0.135 175.005 174.900 -0.051 0.000 1.158 285 G CA -0.294 44.792 45.100 -0.024 0.000 0.774 285 G HN 0.606 nan 8.290 nan 0.000 0.545 286 L N 2.953 124.146 121.223 -0.049 0.000 2.514 286 L HA 0.377 4.716 4.340 -0.002 0.000 0.280 286 L C 0.818 177.639 176.870 -0.082 0.000 1.223 286 L CA 0.273 55.077 54.840 -0.060 0.000 0.864 286 L CB 0.612 42.669 42.059 -0.004 0.000 1.118 286 L HN 0.152 nan 8.230 nan 0.000 0.494 287 T N 1.743 116.257 114.554 -0.067 0.000 2.949 287 T HA 0.388 4.737 4.350 -0.002 0.000 0.287 287 T C -0.223 174.440 174.700 -0.063 0.000 1.034 287 T CA -1.096 60.961 62.100 -0.071 0.000 1.018 287 T CB 0.962 69.796 68.868 -0.055 0.000 1.135 287 T HN 0.653 nan 8.240 nan 0.000 0.532 288 K N 0.948 121.306 120.400 -0.070 0.000 2.451 288 K HA 0.198 4.517 4.320 -0.002 0.000 0.280 288 K C -0.482 176.100 176.600 -0.030 0.000 1.020 288 K CA -0.427 55.821 56.287 -0.065 0.000 1.008 288 K CB 0.094 32.553 32.500 -0.067 0.000 0.917 288 K HN 0.426 nan 8.250 nan 0.000 0.478 289 I N 4.242 124.798 120.570 -0.024 0.000 2.359 289 I HA 0.140 4.309 4.170 -0.002 0.000 0.294 289 I C -0.118 175.990 176.117 -0.015 0.000 0.987 289 I CA -0.608 60.692 61.300 0.000 0.000 1.225 289 I CB 1.313 39.318 38.000 0.010 0.000 1.366 289 I HN 0.645 nan 8.210 nan 0.000 0.466 290 D N 4.599 124.995 120.400 -0.007 0.000 2.304 290 D HA 0.123 4.762 4.640 -0.002 0.000 0.250 290 D C -0.222 176.066 176.300 -0.020 0.000 1.107 290 D CA 0.058 54.048 54.000 -0.016 0.000 0.885 290 D CB 1.620 42.413 40.800 -0.010 0.000 1.192 290 D HN 0.347 nan 8.370 nan 0.000 0.436 291 D N 2.154 122.532 120.400 -0.037 0.000 2.392 291 D HA 0.170 4.809 4.640 -0.002 0.000 0.228 291 D C -1.653 174.619 176.300 -0.047 0.000 1.074 291 D CA -2.079 51.890 54.000 -0.052 0.000 0.838 291 D CB 1.749 42.496 40.800 -0.088 0.000 1.067 291 D HN 0.026 nan 8.370 nan 0.000 0.511 292 P HA -0.042 nan 4.420 nan 0.000 0.237 292 P C 0.394 177.672 177.300 -0.036 0.000 1.178 292 P CA 0.079 63.163 63.100 -0.027 0.000 0.766 292 P CB 0.028 31.720 31.700 -0.013 0.000 0.876 293 R N 0.505 120.972 120.500 -0.055 0.000 2.756 293 R HA 0.342 4.681 4.340 -0.002 0.000 0.264 293 R C 0.003 176.269 176.300 -0.058 0.000 1.026 293 R CA -0.309 55.753 56.100 -0.063 0.000 1.121 293 R CB -0.039 30.201 30.300 -0.101 0.000 0.999 293 R HN -0.117 nan 8.270 nan 0.000 0.449 294 A N 2.250 125.041 122.820 -0.048 0.000 2.477 294 A HA 0.469 4.788 4.320 -0.002 0.000 0.246 294 A C 1.088 178.642 177.584 -0.050 0.000 1.078 294 A CA 0.584 52.597 52.037 -0.040 0.000 0.770 294 A CB -0.427 18.556 19.000 -0.029 0.000 1.011 294 A HN 1.308 nan 8.150 nan 0.000 0.494 295 G N 1.385 110.159 108.800 -0.042 0.000 2.499 295 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.232 295 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.232 295 G C -0.108 174.759 174.900 -0.054 0.000 1.251 295 G CA 0.139 45.214 45.100 -0.042 0.000 0.917 295 G HN 1.067 nan 8.290 nan 0.000 0.580 296 Q N 1.210 120.975 119.800 -0.058 0.000 2.392 296 Q HA 0.381 4.720 4.340 -0.002 0.000 0.262 296 Q C 0.950 176.879 176.000 -0.119 0.000 1.003 296 Q CA 0.406 56.171 55.803 -0.063 0.000 0.888 296 Q CB 0.499 29.216 28.738 -0.034 0.000 1.260 296 Q HN 0.723 nan 8.270 nan 0.000 0.435 297 Q N 1.310 121.045 119.800 -0.108 0.000 2.394 297 Q HA 0.205 4.544 4.340 -0.002 0.000 0.248 297 Q C -0.495 175.320 176.000 -0.308 0.000 0.992 297 Q CA 0.017 55.725 55.803 -0.158 0.000 0.888 297 Q CB 0.765 29.450 28.738 -0.088 0.000 1.257 297 Q HN 0.402 nan 8.270 nan 0.000 0.462 298 R N 2.152 122.367 120.500 -0.474 0.000 2.983 298 R HA 0.359 4.698 4.340 -0.002 0.000 0.300 298 R C -0.917 175.171 176.300 -0.354 0.000 1.367 298 R CA -0.353 55.115 56.100 -1.054 0.000 1.564 298 R CB 0.574 29.974 30.300 -1.499 0.000 1.314 298 R HN 0.589 nan 8.270 nan 0.000 0.622 299 I N 1.013 121.603 120.570 0.034 0.000 2.460 299 I HA 0.582 4.751 4.170 -0.002 0.000 0.298 299 I C 0.382 176.721 176.117 0.370 0.000 0.989 299 I CA -0.864 60.536 61.300 0.167 0.000 1.173 299 I CB 1.592 39.618 38.000 0.042 0.000 1.338 299 I HN 0.291 nan 8.210 nan 0.000 0.456 300 A N 5.391 128.378 122.820 0.277 0.000 2.479 300 A HA 0.699 5.018 4.320 -0.002 0.000 0.296 300 A C -1.872 175.801 177.584 0.150 0.000 1.121 300 A CA -0.480 51.658 52.037 0.169 0.000 0.743 300 A CB 1.777 20.814 19.000 0.062 0.000 1.323 300 A HN 0.535 nan 8.150 nan 0.000 0.415 301 Y N 0.810 121.085 120.300 -0.042 0.000 2.335 301 Y HA 0.470 5.019 4.550 -0.002 0.000 0.338 301 Y C 0.056 175.952 175.900 -0.007 0.000 0.977 301 Y CA -1.730 56.340 58.100 -0.049 0.000 1.114 301 Y CB 1.600 40.012 38.460 -0.079 0.000 1.182 301 Y HN 0.912 nan 8.280 nan 0.000 0.463 302 C N 7.325 126.485 119.300 -0.234 0.000 3.273 302 C HA 0.547 5.006 4.460 -0.002 0.000 0.227 302 C C -2.696 172.184 174.990 -0.183 0.000 1.409 302 C CA -2.124 56.820 59.018 -0.123 0.000 1.516 302 C CB -0.859 26.924 27.740 0.071 0.000 1.853 302 C HN 0.589 nan 8.230 nan 0.000 0.472 303 P HA 0.310 nan 4.420 nan 0.000 0.275 303 P C -0.520 176.956 177.300 0.295 0.000 1.266 303 P CA 0.488 63.487 63.100 -0.168 0.000 0.793 303 P CB 0.858 32.399 31.700 -0.265 0.000 1.074 304 H N -1.116 118.074 119.070 0.199 0.000 2.737 304 H HA 0.627 5.182 4.556 -0.002 0.000 0.358 304 H C -0.851 174.496 175.328 0.031 0.000 1.187 304 H CA -1.040 55.074 56.048 0.110 0.000 1.221 304 H CB 1.739 31.592 29.762 0.151 0.000 1.799 304 H HN 0.198 nan 8.280 nan 0.000 0.568 305 L N 2.192 123.257 121.223 -0.262 0.000 2.406 305 L HA 0.290 4.629 4.340 -0.002 0.000 0.270 305 L C -2.040 174.515 176.870 -0.525 0.000 0.982 305 L CA -0.475 54.028 54.840 -0.562 0.000 0.843 305 L CB 0.488 41.858 42.059 -1.148 0.000 1.225 305 L HN 0.544 nan 8.230 nan 0.000 0.412 306 Y N 5.521 125.825 120.300 0.007 0.000 2.541 306 Y HA 0.469 5.017 4.550 -0.002 0.000 0.350 306 Y C -2.341 173.574 175.900 0.024 0.000 1.075 306 Y CA -2.370 55.761 58.100 0.052 0.000 1.302 306 Y CB 1.061 39.575 38.460 0.090 0.000 1.094 306 Y HN 0.526 nan 8.280 nan 0.000 0.579 307 P HA 0.079 nan 4.420 nan 0.000 0.265 307 P C 1.037 178.368 177.300 0.052 0.000 1.193 307 P CA 0.170 63.302 63.100 0.054 0.000 0.765 307 P CB 1.070 32.762 31.700 -0.012 0.000 0.823 308 L N 5.110 126.363 121.223 0.051 0.000 2.013 308 L HA -0.169 4.170 4.340 -0.002 0.000 0.212 308 L C -0.531 176.350 176.870 0.018 0.000 1.073 308 L CA 2.164 57.026 54.840 0.036 0.000 0.753 308 L CB -1.850 40.228 42.059 0.031 0.000 0.890 308 L HN 0.463 nan 8.230 nan 0.000 0.432 309 P HA -0.165 nan 4.420 nan 0.000 0.218 309 P C 1.728 179.021 177.300 -0.012 0.000 1.148 309 P CA 1.317 64.418 63.100 0.001 0.000 0.822 309 P CB 0.032 31.735 31.700 0.006 0.000 0.784 310 L N -1.867 119.331 121.223 -0.041 0.000 2.395 310 L HA -0.008 4.331 4.340 -0.002 0.000 0.218 310 L C 0.766 177.644 176.870 0.014 0.000 1.130 310 L CA 0.585 55.388 54.840 -0.062 0.000 0.826 310 L CB -0.651 41.300 42.059 -0.179 0.000 0.941 310 L HN -0.016 nan 8.230 nan 0.000 0.451 317 E N 0.106 120.236 120.200 -0.117 0.000 2.433 317 E HA 0.542 4.891 4.350 -0.002 0.000 0.278 317 E C 0.493 177.036 176.600 -0.096 0.000 0.976 317 E CA -0.746 55.583 56.400 -0.119 0.000 0.793 317 E CB 2.327 32.000 29.700 -0.046 0.000 1.311 317 E HN 0.521 nan 8.360 nan 0.000 0.460 318 G N 0.806 109.557 108.800 -0.082 0.000 2.566 318 G HA2 -0.346 3.613 3.960 -0.002 0.000 0.280 318 G HA3 -0.346 3.613 3.960 -0.002 0.000 0.280 318 G C 0.605 175.471 174.900 -0.057 0.000 1.225 318 G CA 0.427 45.495 45.100 -0.055 0.000 0.966 318 G HN 0.502 nan 8.290 nan 0.000 0.560 319 L N 1.068 122.269 121.223 -0.035 0.000 2.083 319 L HA 0.268 4.607 4.340 -0.002 0.000 0.209 319 L C 3.306 180.160 176.870 -0.027 0.000 1.083 319 L CA 3.161 57.985 54.840 -0.026 0.000 0.752 319 L CB -1.153 40.898 42.059 -0.014 0.000 0.899 319 L HN 1.372 nan 8.230 nan 0.000 0.433 320 A N -0.334 122.469 122.820 -0.029 0.000 1.908 320 A HA -0.300 4.018 4.320 -0.002 0.000 0.218 320 A C 2.513 180.079 177.584 -0.030 0.000 1.181 320 A CA 2.012 54.038 52.037 -0.018 0.000 0.627 320 A CB -0.654 18.340 19.000 -0.011 0.000 0.818 320 A HN 0.527 nan 8.150 nan 0.000 0.445 321 R N -0.879 119.549 120.500 -0.119 0.000 2.073 321 R HA -0.107 4.232 4.340 -0.002 0.000 0.234 321 R C 2.221 178.462 176.300 -0.098 0.000 1.134 321 R CA 2.154 58.088 56.100 -0.277 0.000 0.952 321 R CB -0.738 29.296 30.300 -0.444 0.000 0.850 321 R HN 0.470 nan 8.270 nan 0.000 0.433 322 T N 1.381 115.899 114.554 -0.060 0.000 2.684 322 T HA -0.154 4.195 4.350 -0.002 0.000 0.267 322 T C 1.754 176.465 174.700 0.019 0.000 1.036 322 T CA 1.629 63.721 62.100 -0.014 0.000 1.148 322 T CB -0.206 68.653 68.868 -0.014 0.000 0.863 322 T HN 0.169 nan 8.240 nan 0.000 0.436 323 L N 0.536 121.769 121.223 0.017 0.000 2.046 323 L HA -0.127 4.212 4.340 -0.002 0.000 0.208 323 L C 2.920 179.825 176.870 0.058 0.000 1.077 323 L CA 1.231 56.090 54.840 0.032 0.000 0.747 323 L CB -0.939 41.134 42.059 0.022 0.000 0.896 323 L HN 0.288 nan 8.230 nan 0.000 0.432 324 T N -1.304 113.300 114.554 0.083 0.000 2.857 324 T HA -0.148 4.201 4.350 -0.002 0.000 0.266 324 T C 1.459 176.257 174.700 0.163 0.000 1.048 324 T CA 1.174 63.351 62.100 0.127 0.000 1.139 324 T CB -0.169 68.810 68.868 0.185 0.000 0.874 324 T HN 0.277 nan 8.240 nan 0.000 0.455 325 D N 1.135 121.636 120.400 0.167 0.000 2.117 325 D HA -0.096 4.543 4.640 -0.002 0.000 0.197 325 D C 2.393 178.748 176.300 0.092 0.000 0.987 325 D CA 1.297 55.379 54.000 0.136 0.000 0.829 325 D CB -0.459 40.401 40.800 0.099 0.000 0.961 325 D HN 0.415 nan 8.370 nan 0.000 0.460 326 V N -1.442 118.516 119.914 0.074 0.000 2.667 326 V HA -0.124 3.995 4.120 -0.002 0.000 0.252 326 V C 2.162 178.304 176.094 0.081 0.000 1.065 326 V CA 1.633 63.971 62.300 0.064 0.000 1.083 326 V CB -1.096 30.755 31.823 0.046 0.000 0.692 326 V HN -0.011 nan 8.190 nan 0.000 0.468 327 T N 1.357 115.965 114.554 0.090 0.000 2.684 327 T HA -0.081 4.268 4.350 -0.002 0.000 0.267 327 T C 1.837 176.625 174.700 0.146 0.000 1.036 327 T CA 2.410 64.576 62.100 0.109 0.000 1.148 327 T CB -0.431 68.492 68.868 0.092 0.000 0.863 327 T HN 0.501 nan 8.240 nan 0.000 0.436 328 I N 1.236 121.876 120.570 0.116 0.000 2.226 328 I HA -0.192 3.977 4.170 -0.002 0.000 0.245 328 I C 2.322 178.545 176.117 0.176 0.000 1.100 328 I CA 1.196 62.564 61.300 0.113 0.000 1.374 328 I CB -0.385 37.634 38.000 0.032 0.000 1.057 328 I HN 0.152 nan 8.210 nan 0.000 0.413 329 D N 1.106 121.577 120.400 0.119 0.000 2.097 329 D HA -0.168 4.471 4.640 -0.002 0.000 0.195 329 D C 2.263 178.626 176.300 0.105 0.000 0.989 329 D CA 1.699 55.757 54.000 0.096 0.000 0.827 329 D CB -0.249 40.588 40.800 0.062 0.000 0.966 329 D HN 0.370 nan 8.370 nan 0.000 0.456 330 A N 0.242 123.132 122.820 0.116 0.000 1.873 330 A HA -0.153 4.166 4.320 -0.002 0.000 0.215 330 A C 2.180 179.841 177.584 0.129 0.000 1.186 330 A CA 1.406 53.502 52.037 0.098 0.000 0.616 330 A CB -1.293 17.763 19.000 0.093 0.000 0.823 330 A HN 0.394 nan 8.150 nan 0.000 0.442 331 W N 0.849 122.156 121.300 0.011 0.000 2.335 331 W HA -0.248 4.411 4.660 -0.002 0.000 0.311 331 W C 2.458 178.982 176.519 0.009 0.000 1.213 331 W CA 2.421 59.774 57.345 0.013 0.000 1.274 331 W CB -0.164 29.295 29.460 -0.002 0.000 1.148 331 W HN 0.345 nan 8.180 nan 0.000 0.498 332 R N 0.356 120.974 120.500 0.197 0.000 2.073 332 R HA -0.167 4.172 4.340 -0.002 0.000 0.234 332 R C 2.294 178.526 176.300 -0.114 0.000 1.134 332 R CA 2.105 58.205 56.100 0.000 0.000 0.952 332 R CB -0.898 29.476 30.300 0.123 0.000 0.850 332 R HN 0.180 nan 8.270 nan 0.000 0.433 333 A N 1.352 124.147 122.820 -0.042 0.000 1.908 333 A HA -0.197 4.122 4.320 -0.002 0.000 0.218 333 A C 1.846 179.390 177.584 -0.067 0.000 1.181 333 A CA 1.778 53.789 52.037 -0.044 0.000 0.627 333 A CB -0.654 18.334 19.000 -0.021 0.000 0.818 333 A HN 0.465 nan 8.150 nan 0.000 0.445 334 N N -0.484 118.155 118.700 -0.101 0.000 2.142 334 N HA -0.090 4.649 4.740 -0.002 0.000 0.186 334 N C 1.764 177.202 175.510 -0.119 0.000 1.023 334 N CA 1.846 54.842 53.050 -0.091 0.000 0.852 334 N CB -0.774 37.660 38.487 -0.088 0.000 0.998 334 N HN 0.485 nan 8.380 nan 0.000 0.424 335 T N 1.333 115.692 114.554 -0.324 0.000 2.746 335 T HA -0.067 4.282 4.350 -0.002 0.000 0.267 335 T C 2.005 176.616 174.700 -0.148 0.000 1.039 335 T CA 1.375 63.291 62.100 -0.307 0.000 1.142 335 T CB -0.335 67.996 68.868 -0.895 0.000 0.866 335 T HN 0.323 nan 8.240 nan 0.000 0.444 336 A N 1.160 123.885 122.820 -0.159 0.000 1.908 336 A HA -0.214 4.105 4.320 -0.002 0.000 0.218 336 A C 2.002 179.533 177.584 -0.089 0.000 1.181 336 A CA 2.424 54.399 52.037 -0.103 0.000 0.627 336 A CB -1.032 17.924 19.000 -0.074 0.000 0.818 336 A HN 0.704 nan 8.150 nan 0.000 0.445 337 H N -0.355 118.631 119.070 -0.141 0.000 2.290 337 H HA -0.097 4.458 4.556 -0.002 0.000 0.298 337 H C 2.095 177.311 175.328 -0.186 0.000 1.087 337 H CA 2.534 58.500 56.048 -0.135 0.000 1.291 337 H CB -0.452 29.242 29.762 -0.114 0.000 1.369 337 H HN 0.357 nan 8.280 nan 0.000 0.492 338 T N 0.239 114.620 114.554 -0.289 0.000 2.867 338 T HA -0.048 4.301 4.350 -0.002 0.000 0.268 338 T C 2.161 176.485 174.700 -0.626 0.000 1.057 338 T CA 1.005 62.798 62.100 -0.511 0.000 1.136 338 T CB -0.579 67.960 68.868 -0.549 0.000 0.874 338 T HN 0.560 nan 8.240 nan 0.000 0.466 339 A N 1.686 124.219 122.820 -0.479 0.000 1.969 339 A HA -0.074 4.245 4.320 -0.002 0.000 0.218 339 A C 2.378 179.813 177.584 -0.249 0.000 1.169 339 A CA 1.120 52.966 52.037 -0.319 0.000 0.635 339 A CB -0.385 18.537 19.000 -0.131 0.000 0.810 339 A HN 0.372 nan 8.150 nan 0.000 0.445 340 R N -0.702 119.641 120.500 -0.262 0.000 2.066 340 R HA -0.073 4.266 4.340 -0.002 0.000 0.232 340 R C 2.060 178.207 176.300 -0.256 0.000 1.131 340 R CA 1.452 57.417 56.100 -0.225 0.000 0.955 340 R CB -0.625 29.547 30.300 -0.213 0.000 0.851 340 R HN 0.378 nan 8.270 nan 0.000 0.432 341 V N 1.823 121.512 119.914 -0.376 0.000 2.324 341 V HA -0.245 3.874 4.120 -0.002 0.000 0.250 341 V C 2.224 178.183 176.094 -0.225 0.000 1.060 341 V CA 1.678 63.786 62.300 -0.320 0.000 1.042 341 V CB -0.424 31.166 31.823 -0.389 0.000 0.650 341 V HN 0.325 nan 8.190 nan 0.000 0.450 342 L N 0.042 121.117 121.223 -0.247 0.000 2.465 342 L HA 0.171 4.510 4.340 -0.002 0.000 0.224 342 L C 1.418 178.222 176.870 -0.110 0.000 1.145 342 L CA 1.014 55.748 54.840 -0.177 0.000 0.834 342 L CB -0.367 41.565 42.059 -0.212 0.000 0.944 342 L HN 0.604 nan 8.230 nan 0.000 0.451 343 G N -0.414 108.320 108.800 -0.109 0.000 2.338 343 G HA2 -0.149 3.810 3.960 -0.002 0.000 0.115 343 G HA3 -0.149 3.810 3.960 -0.002 0.000 0.115 343 G C -0.266 174.606 174.900 -0.046 0.000 1.053 343 G CA -0.491 44.570 45.100 -0.065 0.000 0.733 343 G HN 0.236 nan 8.290 nan 0.000 0.482 344 D N -1.365 118.991 120.400 -0.074 0.000 2.737 344 D HA -0.153 4.486 4.640 -0.002 0.000 0.238 344 D C 1.094 177.375 176.300 -0.032 0.000 1.157 344 D CA 1.511 55.475 54.000 -0.059 0.000 0.694 344 D CB -1.613 39.164 40.800 -0.037 0.000 1.021 344 D HN 1.679 nan 8.370 nan 0.000 0.420 345 V N -3.223 116.668 119.914 -0.040 0.000 2.997 345 V HA 0.782 4.901 4.120 -0.002 0.000 0.311 345 V C -2.091 173.974 176.094 -0.047 0.000 1.066 345 V CA -1.800 60.508 62.300 0.012 0.000 1.039 345 V CB 1.312 33.160 31.823 0.042 0.000 1.081 345 V HN -0.155 nan 8.190 nan 0.000 0.467 346 P HA 0.424 nan 4.420 nan 0.000 0.269 346 P C -0.752 176.469 177.300 -0.133 0.000 1.215 346 P CA 0.063 63.031 63.100 -0.220 0.000 0.780 346 P CB 0.353 31.800 31.700 -0.422 0.000 0.898 347 I N 2.209 122.685 120.570 -0.157 0.000 2.474 347 I HA 0.421 4.590 4.170 -0.002 0.000 0.294 347 I C -0.078 175.983 176.117 -0.093 0.000 1.005 347 I CA -0.554 60.703 61.300 -0.072 0.000 1.113 347 I CB 1.372 39.337 38.000 -0.058 0.000 1.289 347 I HN 0.096 nan 8.210 nan 0.000 0.436 348 I N 6.426 126.971 120.570 -0.043 0.000 2.447 348 I HA 0.208 4.377 4.170 -0.002 0.000 0.287 348 I C -0.668 175.498 176.117 0.082 0.000 1.023 348 I CA -0.829 60.466 61.300 -0.009 0.000 1.083 348 I CB 2.034 40.039 38.000 0.009 0.000 1.245 348 I HN 0.337 nan 8.210 nan 0.000 0.434 349 L N 6.792 128.083 121.223 0.113 0.000 2.536 349 L HA 0.327 4.666 4.340 -0.002 0.000 0.282 349 L C 1.236 178.218 176.870 0.186 0.000 1.147 349 L CA 0.474 55.413 54.840 0.164 0.000 0.936 349 L CB 0.382 42.469 42.059 0.046 0.000 1.279 349 L HN 0.738 nan 8.230 nan 0.000 0.461 350 G N 4.234 113.193 108.800 0.265 0.000 2.421 350 G HA2 -0.047 3.912 3.960 -0.002 0.000 0.217 350 G HA3 -0.047 3.912 3.960 -0.002 0.000 0.217 350 G C 0.253 175.189 174.900 0.061 0.000 1.143 350 G CA 0.244 45.513 45.100 0.281 0.000 0.784 350 G HN 0.618 nan 8.290 nan 0.000 0.541 351 E N -1.303 118.798 120.200 -0.165 0.000 2.321 351 E HA 0.516 4.865 4.350 -0.002 0.000 0.278 351 E C -1.620 174.828 176.600 -0.254 0.000 0.902 351 E CA -0.839 55.414 56.400 -0.244 0.000 0.758 351 E CB 2.566 31.956 29.700 -0.518 0.000 1.213 351 E HN 0.187 nan 8.360 nan 0.000 0.426 352 F N -0.180 119.504 119.950 -0.442 0.000 2.713 352 F HA 0.868 5.394 4.527 -0.002 0.000 0.311 352 F C -0.753 174.777 175.800 -0.449 0.000 1.141 352 F CA -0.381 57.233 58.000 -0.643 0.000 0.939 352 F CB 1.738 40.394 39.000 -0.573 0.000 1.325 352 F HN 0.598 nan 8.300 nan 0.000 0.453 353 G N 1.205 109.657 108.800 -0.581 0.000 2.325 353 G HA2 0.596 4.555 3.960 -0.002 0.000 0.297 353 G HA3 0.596 4.555 3.960 -0.002 0.000 0.297 353 G C -2.336 172.286 174.900 -0.463 0.000 1.448 353 G CA -0.356 44.324 45.100 -0.700 0.000 0.838 353 G HN 1.841 nan 8.290 nan 0.000 0.579 354 L N -2.128 118.606 121.223 -0.815 0.000 2.940 354 L HA 0.746 5.085 4.340 -0.002 0.000 0.270 354 L C -1.556 174.497 176.870 -1.361 0.000 1.030 354 L CA -1.172 52.833 54.840 -1.391 0.000 0.928 354 L CB 2.040 43.780 42.059 -0.532 0.000 1.506 354 L HN 0.544 nan 8.230 nan 0.000 0.405 355 D N 1.811 121.453 120.400 -1.262 0.000 2.389 355 D HA 0.040 4.679 4.640 -0.002 0.000 0.263 355 D C 1.269 177.459 176.300 -0.184 0.000 1.255 355 D CA 0.796 54.519 54.000 -0.463 0.000 0.914 355 D CB 1.506 42.258 40.800 -0.079 0.000 1.116 355 D HN 0.766 nan 8.370 nan 0.000 0.502 356 T N -0.295 114.224 114.554 -0.060 0.000 3.113 356 T HA -0.142 4.207 4.350 -0.002 0.000 0.263 356 T C 1.563 176.274 174.700 0.018 0.000 1.143 356 T CA 1.230 63.329 62.100 -0.001 0.000 1.090 356 T CB -0.339 68.543 68.868 0.024 0.000 0.922 356 T HN 0.404 nan 8.240 nan 0.000 0.521 357 T N -0.313 114.256 114.554 0.026 0.000 3.100 357 T HA 0.342 4.691 4.350 -0.002 0.000 0.253 357 T C 0.666 175.385 174.700 0.032 0.000 1.118 357 T CA -0.440 61.682 62.100 0.037 0.000 1.058 357 T CB -0.610 68.288 68.868 0.051 0.000 0.953 357 T HN 0.389 nan 8.240 nan 0.000 0.515 358 L N 2.080 123.314 121.223 0.019 0.000 2.461 358 L HA 0.326 4.665 4.340 -0.002 0.000 0.272 358 L C -2.106 174.787 176.870 0.040 0.000 1.197 358 L CA -2.247 52.606 54.840 0.022 0.000 0.836 358 L CB -0.025 42.031 42.059 -0.004 0.000 1.105 358 L HN -0.002 nan 8.230 nan 0.000 0.477 359 P HA 0.045 nan 4.420 nan 0.000 0.264 359 P C 0.672 178.028 177.300 0.092 0.000 1.193 359 P CA 0.621 63.754 63.100 0.055 0.000 0.763 359 P CB 0.675 32.399 31.700 0.039 0.000 0.810 360 G N 2.702 111.569 108.800 0.110 0.000 2.179 360 G HA2 -0.328 3.631 3.960 -0.002 0.000 0.260 360 G HA3 -0.328 3.631 3.960 -0.002 0.000 0.260 360 G C 1.162 176.197 174.900 0.225 0.000 0.977 360 G CA 0.453 45.670 45.100 0.195 0.000 0.641 360 G HN 0.673 nan 8.290 nan 0.000 0.533 361 A N 0.187 123.089 122.820 0.135 0.000 1.902 361 A HA 0.056 4.375 4.320 -0.002 0.000 0.217 361 A C 2.178 179.852 177.584 0.150 0.000 1.181 361 A CA 2.419 54.528 52.037 0.120 0.000 0.623 361 A CB -0.466 18.572 19.000 0.064 0.000 0.818 361 A HN 0.676 nan 8.150 nan 0.000 0.443 362 R N -0.337 120.231 120.500 0.114 0.000 2.081 362 R HA -0.161 4.178 4.340 -0.002 0.000 0.235 362 R C 1.521 177.886 176.300 0.108 0.000 1.131 362 R CA 1.868 58.025 56.100 0.095 0.000 0.960 362 R CB -0.336 30.001 30.300 0.063 0.000 0.856 362 R HN 0.453 nan 8.270 nan 0.000 0.436 363 D N -0.561 119.922 120.400 0.138 0.000 2.123 363 D HA -0.216 4.423 4.640 -0.002 0.000 0.196 363 D C 1.557 177.943 176.300 0.142 0.000 0.992 363 D CA 1.233 55.325 54.000 0.153 0.000 0.833 363 D CB -0.445 40.485 40.800 0.216 0.000 0.954 363 D HN 0.297 nan 8.370 nan 0.000 0.455 364 Y N 1.369 121.646 120.300 -0.039 0.000 2.145 364 Y HA -0.167 4.381 4.550 -0.002 0.000 0.286 364 Y C 2.203 178.079 175.900 -0.040 0.000 1.145 364 Y CA 1.233 59.179 58.100 -0.257 0.000 1.148 364 Y CB -0.547 37.570 38.460 -0.570 0.000 0.981 364 Y HN -0.093 nan 8.280 nan 0.000 0.507 365 I N 0.371 120.928 120.570 -0.020 0.000 2.163 365 I HA -0.316 3.853 4.170 -0.002 0.000 0.243 365 I C 2.331 178.513 176.117 0.108 0.000 1.085 365 I CA 1.927 63.305 61.300 0.129 0.000 1.347 365 I CB -0.449 37.721 38.000 0.283 0.000 1.044 365 I HN 0.310 nan 8.210 nan 0.000 0.408 366 E N 0.249 120.485 120.200 0.060 0.000 2.110 366 E HA -0.268 4.081 4.350 -0.002 0.000 0.193 366 E C 2.229 178.814 176.600 -0.026 0.000 0.988 366 E CA 0.960 57.386 56.400 0.044 0.000 0.804 366 E CB -0.112 29.605 29.700 0.029 0.000 0.745 366 E HN 0.319 nan 8.360 nan 0.000 0.458 367 R N 0.858 121.305 120.500 -0.090 0.000 2.073 367 R HA -0.137 4.202 4.340 -0.002 0.000 0.234 367 R C 2.178 178.320 176.300 -0.263 0.000 1.134 367 R CA 1.178 57.199 56.100 -0.132 0.000 0.952 367 R CB -0.353 29.898 30.300 -0.082 0.000 0.850 367 R HN -0.019 nan 8.270 nan 0.000 0.433 368 V N 0.019 119.633 119.914 -0.501 0.000 2.295 368 V HA -0.253 3.866 4.120 -0.002 0.000 0.246 368 V C 1.902 177.630 176.094 -0.610 0.000 1.049 368 V CA 1.863 63.688 62.300 -0.791 0.000 1.024 368 V CB -0.686 30.175 31.823 -1.603 0.000 0.648 368 V HN 0.339 nan 8.190 nan 0.000 0.447 369 Y N 1.350 121.431 120.300 -0.366 0.000 2.224 369 Y HA -0.090 4.459 4.550 -0.002 0.000 0.289 369 Y C 2.529 178.314 175.900 -0.192 0.000 1.146 369 Y CA 1.541 59.518 58.100 -0.204 0.000 1.182 369 Y CB -1.019 37.384 38.460 -0.095 0.000 0.983 369 Y HN 0.268 nan 8.280 nan 0.000 0.524 370 G N -1.119 107.644 108.800 -0.061 0.000 2.421 370 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.216 370 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.216 370 G C 1.755 176.575 174.900 -0.134 0.000 1.171 370 G CA 1.617 46.645 45.100 -0.120 0.000 0.775 370 G HN 0.320 nan 8.290 nan 0.000 0.543 371 T N 1.753 116.223 114.554 -0.140 0.000 2.708 371 T HA -0.021 4.328 4.350 -0.002 0.000 0.266 371 T C 2.832 177.486 174.700 -0.076 0.000 1.037 371 T CA 1.648 63.688 62.100 -0.101 0.000 1.146 371 T CB -0.462 68.341 68.868 -0.108 0.000 0.865 371 T HN 0.379 nan 8.240 nan 0.000 0.435 372 A N 1.769 124.515 122.820 -0.124 0.000 1.883 372 A HA -0.179 4.140 4.320 -0.002 0.000 0.217 372 A C 2.287 179.861 177.584 -0.015 0.000 1.186 372 A CA 2.123 54.119 52.037 -0.068 0.000 0.624 372 A CB -0.680 18.235 19.000 -0.141 0.000 0.822 372 A HN 0.475 nan 8.150 nan 0.000 0.444 373 R N -0.082 120.384 120.500 -0.056 0.000 2.083 373 R HA -0.188 4.151 4.340 -0.002 0.000 0.237 373 R C 2.019 178.255 176.300 -0.106 0.000 1.137 373 R CA 1.960 57.988 56.100 -0.120 0.000 0.951 373 R CB -0.363 29.644 30.300 -0.487 0.000 0.851 373 R HN 0.676 nan 8.270 nan 0.000 0.434 374 E N -0.066 120.063 120.200 -0.119 0.000 2.153 374 E HA -0.187 4.162 4.350 -0.002 0.000 0.194 374 E C 1.901 178.488 176.600 -0.021 0.000 0.988 374 E CA 1.488 57.845 56.400 -0.072 0.000 0.811 374 E CB -0.041 29.617 29.700 -0.069 0.000 0.746 374 E HN 0.467 nan 8.360 nan 0.000 0.466 375 M N -0.650 118.939 119.600 -0.019 0.000 2.595 375 M HA 0.089 4.568 4.480 -0.002 0.000 0.248 375 M C 1.064 177.325 176.300 -0.065 0.000 1.119 375 M CA 0.598 55.880 55.300 -0.030 0.000 1.079 375 M CB 0.517 33.107 32.600 -0.017 0.000 1.472 375 M HN 0.209 nan 8.290 nan 0.000 0.501 376 G N 1.475 110.272 108.800 -0.005 0.000 2.221 376 G HA2 -0.193 3.766 3.960 -0.002 0.000 0.265 376 G HA3 -0.193 3.766 3.960 -0.002 0.000 0.265 376 G C -0.015 174.785 174.900 -0.166 0.000 1.041 376 G CA 0.180 45.243 45.100 -0.062 0.000 0.807 376 G HN 0.684 nan 8.290 nan 0.000 0.502 377 A N -0.277 122.521 122.820 -0.036 0.000 2.306 377 A HA 0.877 5.196 4.320 -0.002 0.000 0.314 377 A C 1.042 178.620 177.584 -0.011 0.000 1.164 377 A CA 0.507 52.513 52.037 -0.051 0.000 0.822 377 A CB 0.985 19.984 19.000 -0.003 0.000 1.130 377 A HN 1.700 nan 8.150 nan 0.000 0.496 378 G N -0.274 108.477 108.800 -0.082 0.000 2.606 378 G HA2 0.496 4.455 3.960 -0.002 0.000 0.252 378 G HA3 0.496 4.455 3.960 -0.002 0.000 0.252 378 G C -0.651 174.234 174.900 -0.025 0.000 1.206 378 G CA -0.143 44.881 45.100 -0.127 0.000 0.861 378 G HN 1.037 nan 8.290 nan 0.000 0.561 379 V N 0.244 120.189 119.914 0.051 0.000 2.668 379 V HA 0.495 4.614 4.120 -0.002 0.000 0.304 379 V C -0.324 175.967 176.094 0.328 0.000 1.071 379 V CA -0.855 61.533 62.300 0.146 0.000 0.894 379 V CB 2.031 33.890 31.823 0.060 0.000 1.008 379 V HN 1.022 nan 8.190 nan 0.000 0.425 380 S N 3.798 119.703 115.700 0.341 0.000 2.594 380 S HA 0.568 5.037 4.470 -0.002 0.000 0.322 380 S C -0.897 173.823 174.600 0.200 0.000 1.085 380 S CA -0.586 57.789 58.200 0.292 0.000 1.116 380 S CB 0.619 63.981 63.200 0.270 0.000 0.979 380 S HN 0.685 nan 8.310 nan 0.000 0.465 381 Y N 3.811 124.102 120.300 -0.016 0.000 2.511 381 Y HA 0.203 4.751 4.550 -0.002 0.000 0.332 381 Y C 0.017 176.003 175.900 0.144 0.000 1.177 381 Y CA -0.202 57.850 58.100 -0.080 0.000 1.422 381 Y CB 0.484 38.787 38.460 -0.261 0.000 1.271 381 Y HN 0.830 nan 8.280 nan 0.000 0.550 382 W N 8.645 129.627 121.300 -0.530 0.000 2.311 382 W HA 0.451 5.110 4.660 -0.002 0.000 0.317 382 W C -1.148 175.390 176.519 0.031 0.000 1.065 382 W CA -0.064 57.204 57.345 -0.129 0.000 1.364 382 W CB 0.688 30.148 29.460 -0.000 0.000 1.233 382 W HN 0.786 nan 8.180 nan 0.000 0.409 383 S N 1.591 117.317 115.700 0.042 0.000 2.727 383 S HA 0.268 4.737 4.470 -0.002 0.000 0.278 383 S C 0.608 175.211 174.600 0.005 0.000 1.186 383 S CA -0.013 58.057 58.200 -0.217 0.000 0.836 383 S CB 1.198 63.642 63.200 -1.260 0.000 1.186 383 S HN 0.354 nan 8.310 nan 0.000 0.499 384 S N -0.483 115.093 115.700 -0.207 0.000 2.522 384 S HA 0.109 4.578 4.470 -0.002 0.000 0.227 384 S C -0.021 174.476 174.600 -0.172 0.000 0.986 384 S CA 0.400 58.388 58.200 -0.353 0.000 0.929 384 S CB -1.105 61.856 63.200 -0.397 0.000 0.769 384 S HN 0.719 nan 8.310 nan 0.000 0.529 385 D N 4.400 124.675 120.400 -0.209 0.000 2.506 385 D HA 0.185 4.824 4.640 -0.002 0.000 0.234 385 D C -2.331 173.949 176.300 -0.033 0.000 1.143 385 D CA -0.536 53.385 54.000 -0.131 0.000 0.871 385 D CB 0.259 40.927 40.800 -0.220 0.000 1.190 385 D HN 0.262 nan 8.370 nan 0.000 0.459 386 P HA 0.251 nan 4.420 nan 0.000 0.268 386 P C 0.166 177.495 177.300 0.049 0.000 1.204 386 P CA -0.107 63.023 63.100 0.050 0.000 0.768 386 P CB 1.042 32.765 31.700 0.040 0.000 0.842 387 G N 3.593 112.446 108.800 0.088 0.000 2.369 387 G HA2 0.040 3.999 3.960 -0.002 0.000 0.307 387 G HA3 0.040 3.999 3.960 -0.002 0.000 0.307 387 G C -2.690 172.314 174.900 0.172 0.000 1.327 387 G CA -0.631 44.538 45.100 0.115 0.000 0.963 387 G HN 0.221 nan 8.290 nan 0.000 0.590 388 P HA -0.011 nan 4.420 nan 0.000 0.226 388 P C 1.096 178.575 177.300 0.297 0.000 1.153 388 P CA 1.125 64.357 63.100 0.220 0.000 0.777 388 P CB 0.120 31.947 31.700 0.211 0.000 0.794 389 W N 1.231 122.606 121.300 0.125 0.000 2.436 389 W HA 0.142 4.801 4.660 -0.002 0.000 0.284 389 W C 1.842 178.512 176.519 0.251 0.000 1.225 389 W CA 1.443 58.912 57.345 0.207 0.000 1.271 389 W CB -1.037 28.553 29.460 0.218 0.000 1.114 389 W HN -0.100 nan 8.180 nan 0.000 0.559 390 G N -0.285 108.730 108.800 0.358 0.000 2.537 390 G HA2 0.247 4.206 3.960 -0.002 0.000 0.297 390 G HA3 0.247 4.206 3.960 -0.002 0.000 0.297 390 G C -1.764 173.124 174.900 -0.019 0.000 1.310 390 G CA -0.706 44.507 45.100 0.189 0.000 1.027 390 G HN -0.203 nan 8.290 nan 0.000 0.505 391 P HA 0.043 nan 4.420 nan 0.000 0.222 391 P C -0.716 176.116 177.300 -0.780 0.000 1.153 391 P CA 0.990 63.757 63.100 -0.554 0.000 0.798 391 P CB 0.160 31.368 31.700 -0.820 0.000 0.796 392 Y N -1.142 119.142 120.300 -0.026 0.000 2.477 392 Y HA 0.384 4.933 4.550 -0.001 0.000 0.347 392 Y C 0.816 176.721 175.900 0.009 0.000 0.981 392 Y CA -1.316 56.779 58.100 -0.009 0.000 1.033 392 Y CB 1.144 39.588 38.460 -0.026 0.000 1.245 392 Y HN -0.316 nan 8.280 nan 0.000 0.455 393 L N 3.939 125.260 121.223 0.162 0.000 2.472 393 L HA 0.197 4.536 4.340 -0.002 0.000 0.260 393 L C -1.395 175.531 176.870 0.093 0.000 1.209 393 L CA -1.611 53.294 54.840 0.109 0.000 0.817 393 L CB 0.516 42.626 42.059 0.085 0.000 1.106 393 L HN 0.440 nan 8.230 nan 0.000 0.479 394 P HA -0.200 nan 4.420 nan 0.000 0.217 394 P C 0.587 177.899 177.300 0.019 0.000 1.148 394 P CA 1.293 64.413 63.100 0.034 0.000 0.834 394 P CB -0.021 31.694 31.700 0.024 0.000 0.783 395 D N -2.352 118.063 120.400 0.026 0.000 2.349 395 D HA 0.081 4.720 4.640 -0.002 0.000 0.224 395 D C 1.437 177.741 176.300 0.006 0.000 1.029 395 D CA 0.686 54.692 54.000 0.011 0.000 0.879 395 D CB -0.781 40.029 40.800 0.016 0.000 0.906 395 D HN 0.257 nan 8.370 nan 0.000 0.528 396 G N -0.602 108.211 108.800 0.022 0.000 2.213 396 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.236 396 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.236 396 G C 0.483 175.444 174.900 0.101 0.000 0.991 396 G CA 0.135 45.236 45.100 0.002 0.000 0.629 396 G HN 0.448 nan 8.290 nan 0.000 0.517 397 T N 2.490 117.107 114.554 0.105 0.000 2.934 397 T HA 0.359 4.708 4.350 -0.002 0.000 0.306 397 T C 0.609 175.417 174.700 0.180 0.000 1.042 397 T CA 0.414 62.585 62.100 0.118 0.000 1.145 397 T CB 0.846 69.759 68.868 0.076 0.000 0.982 397 T HN 0.460 nan 8.240 nan 0.000 0.544 398 Q N 2.038 121.936 119.800 0.164 0.000 2.332 398 Q HA 0.268 4.607 4.340 -0.002 0.000 0.263 398 Q C 1.035 177.038 176.000 0.004 0.000 0.979 398 Q CA -0.396 55.452 55.803 0.075 0.000 0.885 398 Q CB 0.632 29.406 28.738 0.060 0.000 1.218 398 Q HN 0.811 nan 8.270 nan 0.000 0.405 399 T N -1.419 113.095 114.554 -0.066 0.000 2.810 399 T HA 0.184 4.533 4.350 -0.002 0.000 0.277 399 T C 1.084 175.755 174.700 -0.048 0.000 0.973 399 T CA -0.726 61.351 62.100 -0.038 0.000 0.949 399 T CB 0.412 69.259 68.868 -0.034 0.000 1.075 399 T HN 0.539 nan 8.240 nan 0.000 0.537 400 L N -0.682 120.526 121.223 -0.024 0.000 2.456 400 L HA 0.197 4.536 4.340 -0.002 0.000 0.224 400 L C 1.976 178.816 176.870 -0.050 0.000 1.148 400 L CA 1.016 55.842 54.840 -0.022 0.000 0.825 400 L CB -1.724 40.335 42.059 0.000 0.000 0.937 400 L HN 0.550 nan 8.230 nan 0.000 0.450 401 L N -0.582 120.589 121.223 -0.086 0.000 2.083 401 L HA -0.104 4.235 4.340 -0.002 0.000 0.209 401 L C 2.407 179.201 176.870 -0.128 0.000 1.083 401 L CA 1.478 56.235 54.840 -0.138 0.000 0.752 401 L CB -0.470 41.467 42.059 -0.202 0.000 0.899 401 L HN 0.167 nan 8.230 nan 0.000 0.433 402 V N -0.380 119.457 119.914 -0.128 0.000 2.261 402 V HA -0.307 3.812 4.120 -0.002 0.000 0.246 402 V C 2.217 178.290 176.094 -0.035 0.000 1.047 402 V CA 2.078 64.322 62.300 -0.092 0.000 1.015 402 V CB -0.781 30.977 31.823 -0.108 0.000 0.642 402 V HN 0.417 nan 8.190 nan 0.000 0.446 403 D N -0.220 120.166 120.400 -0.024 0.000 2.178 403 D HA -0.114 4.525 4.640 -0.002 0.000 0.201 403 D C 2.279 178.569 176.300 -0.016 0.000 0.980 403 D CA 1.637 55.636 54.000 -0.000 0.000 0.842 403 D CB -0.361 40.443 40.800 0.007 0.000 0.948 403 D HN 0.422 nan 8.370 nan 0.000 0.472 404 T N 0.693 115.219 114.554 -0.047 0.000 2.777 404 T HA -0.030 4.319 4.350 -0.002 0.000 0.266 404 T C 2.057 176.674 174.700 -0.138 0.000 1.040 404 T CA 0.585 62.642 62.100 -0.072 0.000 1.141 404 T CB -0.047 68.778 68.868 -0.071 0.000 0.868 404 T HN 0.158 nan 8.240 nan 0.000 0.444 405 L N 0.691 121.814 121.223 -0.167 0.000 2.375 405 L HA 0.176 4.515 4.340 -0.002 0.000 0.215 405 L C 1.188 177.999 176.870 -0.099 0.000 1.108 405 L CA 0.253 54.942 54.840 -0.252 0.000 0.830 405 L CB -0.377 41.524 42.059 -0.262 0.000 0.959 405 L HN 0.147 nan 8.230 nan 0.000 0.457 406 N N 1.832 120.537 118.700 0.008 0.000 3.050 406 N HA 0.046 4.785 4.740 -0.002 0.000 0.289 406 N C -0.679 174.948 175.510 0.194 0.000 1.209 406 N CA 0.318 53.452 53.050 0.140 0.000 1.154 406 N CB 0.113 38.685 38.487 0.142 0.000 1.444 406 N HN -0.003 nan 8.380 nan 0.000 0.529 407 K N 1.483 122.022 120.400 0.233 0.000 2.340 407 K HA 0.552 4.871 4.320 -0.002 0.000 0.244 407 K C -2.676 174.161 176.600 0.394 0.000 0.973 407 K CA -2.139 54.298 56.287 0.249 0.000 0.828 407 K CB 1.048 33.652 32.500 0.174 0.000 1.226 407 K HN 0.151 nan 8.250 nan 0.000 0.437 408 P HA 0.085 nan 4.420 nan 0.000 0.269 408 P C -1.060 176.461 177.300 0.369 0.000 1.209 408 P CA 0.216 63.425 63.100 0.181 0.000 0.776 408 P CB 0.060 31.782 31.700 0.037 0.000 0.876 409 Y N -0.236 120.083 120.300 0.032 0.000 2.624 409 Y HA 0.674 5.223 4.550 -0.002 0.000 0.334 409 Y C -3.272 172.419 175.900 -0.348 0.000 1.155 409 Y CA -3.568 54.389 58.100 -0.238 0.000 1.046 409 Y CB 0.171 38.551 38.460 -0.133 0.000 1.316 409 Y HN 0.139 nan 8.280 nan 0.000 0.457 410 P HA 0.440 nan 4.420 nan 0.000 0.282 410 P C -0.311 176.728 177.300 -0.435 0.000 1.262 410 P CA -0.263 62.505 63.100 -0.553 0.000 0.773 410 P CB 1.610 32.947 31.700 -0.606 0.000 0.879 411 R N 2.573 122.834 120.500 -0.397 0.000 2.075 411 R HA 0.373 4.712 4.340 -0.002 0.000 0.220 411 R C 0.341 176.564 176.300 -0.127 0.000 1.118 411 R CA 0.727 56.692 56.100 -0.224 0.000 0.986 411 R CB 0.218 30.381 30.300 -0.229 0.000 0.884 411 R HN 0.494 nan 8.270 nan 0.000 0.439 412 A N 0.797 123.525 122.820 -0.154 0.000 2.442 412 A HA 0.495 4.814 4.320 -0.002 0.000 0.284 412 A C -1.100 176.396 177.584 -0.147 0.000 1.058 412 A CA -0.593 51.371 52.037 -0.122 0.000 0.738 412 A CB 1.560 20.517 19.000 -0.073 0.000 1.242 412 A HN -0.034 nan 8.150 nan 0.000 0.421 413 V N 1.861 121.670 119.914 -0.174 0.000 2.435 413 V HA 0.597 4.716 4.120 -0.002 0.000 0.290 413 V C 0.906 176.921 176.094 -0.132 0.000 1.030 413 V CA -0.133 62.061 62.300 -0.178 0.000 0.881 413 V CB 1.628 33.306 31.823 -0.242 0.000 0.983 413 V HN 1.221 nan 8.190 nan 0.000 0.445 414 A N 4.154 126.913 122.820 -0.101 0.000 2.981 414 A HA 0.680 4.999 4.320 -0.002 0.000 0.280 414 A C 0.874 178.417 177.584 -0.068 0.000 1.743 414 A CA 0.685 52.680 52.037 -0.070 0.000 1.430 414 A CB -1.056 17.912 19.000 -0.054 0.000 1.085 414 A HN 1.785 nan 8.150 nan 0.000 0.597 415 G N -0.166 108.587 108.800 -0.078 0.000 2.353 415 G HA2 0.218 4.177 3.960 -0.002 0.000 0.424 415 G HA3 0.218 4.177 3.960 -0.002 0.000 0.424 415 G C -0.518 174.312 174.900 -0.115 0.000 1.320 415 G CA -0.513 44.545 45.100 -0.069 0.000 0.995 415 G HN 0.575 nan 8.290 nan 0.000 0.580 416 T N 3.580 118.086 114.554 -0.081 0.000 2.729 416 T HA 0.556 4.905 4.350 -0.002 0.000 0.296 416 T C -2.230 172.410 174.700 -0.100 0.000 0.928 416 T CA -0.553 61.485 62.100 -0.103 0.000 1.045 416 T CB 1.432 70.315 68.868 0.024 0.000 0.902 416 T HN 0.481 nan 8.240 nan 0.000 0.500 417 P HA 0.136 nan 4.420 nan 0.000 0.271 417 P C 0.984 178.349 177.300 0.108 0.000 1.226 417 P CA -0.235 62.833 63.100 -0.054 0.000 0.765 417 P CB 0.767 32.406 31.700 -0.103 0.000 0.835 418 T N 0.255 114.878 114.554 0.115 0.000 2.976 418 T HA 0.064 4.413 4.350 -0.002 0.000 0.257 418 T C 0.403 175.191 174.700 0.146 0.000 1.051 418 T CA 0.340 62.515 62.100 0.126 0.000 1.141 418 T CB -0.165 68.751 68.868 0.080 0.000 0.881 418 T HN 0.600 nan 8.240 nan 0.000 0.461 419 E N -0.344 119.959 120.200 0.173 0.000 2.401 419 E HA 0.518 4.866 4.350 -0.002 0.000 0.280 419 E C -1.564 175.213 176.600 0.294 0.000 1.039 419 E CA -1.464 55.036 56.400 0.166 0.000 0.814 419 E CB 1.012 30.756 29.700 0.073 0.000 1.275 419 E HN 0.499 nan 8.360 nan 0.000 0.448 420 W N 0.505 121.830 121.300 0.042 0.000 3.005 420 W HA 0.736 5.395 4.660 -0.002 0.000 0.343 420 W C -1.696 174.850 176.519 0.046 0.000 1.243 420 W CA -0.638 56.730 57.345 0.039 0.000 1.186 420 W CB 0.851 30.335 29.460 0.041 0.000 1.453 420 W HN 1.006 nan 8.180 nan 0.000 0.575 421 S N 0.738 116.592 115.700 0.257 0.000 2.550 421 S HA 0.760 5.229 4.470 -0.002 0.000 0.270 421 S C -0.989 173.774 174.600 0.272 0.000 1.145 421 S CA -0.413 57.828 58.200 0.069 0.000 0.852 421 S CB 1.692 64.907 63.200 0.024 0.000 1.119 421 S HN 1.306 nan 8.310 nan 0.000 0.465 422 S N 0.301 116.119 115.700 0.197 0.000 2.541 422 S HA 0.875 5.344 4.470 -0.002 0.000 0.271 422 S C -0.402 174.285 174.600 0.144 0.000 1.133 422 S CA -0.152 58.191 58.200 0.239 0.000 0.876 422 S CB 1.406 64.836 63.200 0.384 0.000 1.105 422 S HN 1.682 nan 8.310 nan 0.000 0.470 423 T N -0.530 114.105 114.554 0.134 0.000 2.807 423 T HA 0.583 4.932 4.350 -0.002 0.000 0.277 423 T C 1.110 175.878 174.700 0.113 0.000 1.006 423 T CA -0.244 61.910 62.100 0.091 0.000 1.006 423 T CB 0.810 69.709 68.868 0.051 0.000 1.274 423 T HN 0.513 nan 8.240 nan 0.000 0.569 424 S N 1.186 116.928 115.700 0.069 0.000 2.400 424 S HA -0.078 4.391 4.470 -0.002 0.000 0.232 424 S C 1.029 175.653 174.600 0.040 0.000 1.025 424 S CA 1.687 59.928 58.200 0.068 0.000 0.993 424 S CB -0.515 62.698 63.200 0.022 0.000 0.808 424 S HN 0.946 nan 8.310 nan 0.000 0.478 425 D N -0.425 119.936 120.400 -0.065 0.000 2.720 425 D HA 0.229 4.868 4.640 -0.002 0.000 0.285 425 D C 0.126 176.308 176.300 -0.198 0.000 1.359 425 D CA -0.330 53.443 54.000 -0.378 0.000 0.818 425 D CB -0.040 40.517 40.800 -0.405 0.000 1.108 425 D HN 0.138 nan 8.370 nan 0.000 0.474 426 R N -0.061 120.529 120.500 0.150 0.000 2.561 426 R HA 0.509 4.848 4.340 -0.002 0.000 0.266 426 R C -2.346 174.101 176.300 0.246 0.000 1.091 426 R CA -0.838 55.392 56.100 0.217 0.000 0.927 426 R CB 1.415 31.770 30.300 0.092 0.000 1.240 426 R HN 0.102 nan 8.270 nan 0.000 0.449 427 L N 2.720 124.069 121.223 0.210 0.000 2.410 427 L HA 0.531 4.870 4.340 -0.002 0.000 0.270 427 L C -1.466 175.474 176.870 0.117 0.000 0.983 427 L CA -0.138 54.794 54.840 0.153 0.000 0.822 427 L CB 2.083 44.169 42.059 0.045 0.000 1.285 427 L HN 0.758 nan 8.230 nan 0.000 0.409 428 Q N 3.684 123.577 119.800 0.155 0.000 2.347 428 Q HA 0.713 5.052 4.340 -0.002 0.000 0.271 428 Q C -2.122 173.983 176.000 0.175 0.000 1.064 428 Q CA -0.789 55.087 55.803 0.123 0.000 0.800 428 Q CB 2.340 31.141 28.738 0.105 0.000 1.304 428 Q HN 0.728 nan 8.270 nan 0.000 0.438 429 L N 2.114 123.403 121.223 0.110 0.000 2.464 429 L HA 0.634 4.973 4.340 -0.002 0.000 0.266 429 L C -1.527 175.385 176.870 0.070 0.000 0.965 429 L CA 0.118 55.029 54.840 0.119 0.000 0.833 429 L CB 2.649 44.709 42.059 0.002 0.000 1.296 429 L HN 0.606 nan 8.230 nan 0.000 0.405 430 T N 6.026 120.634 114.554 0.090 0.000 2.797 430 T HA 0.702 5.051 4.350 -0.002 0.000 0.279 430 T C -0.389 174.331 174.700 0.034 0.000 0.991 430 T CA -0.130 62.001 62.100 0.052 0.000 0.979 430 T CB 0.937 69.841 68.868 0.058 0.000 0.943 430 T HN 0.464 nan 8.240 nan 0.000 0.444 431 I N 2.272 122.845 120.570 0.006 0.000 2.436 431 I HA 0.321 4.490 4.170 -0.002 0.000 0.289 431 I C 0.206 176.319 176.117 -0.007 0.000 1.010 431 I CA -0.852 60.438 61.300 -0.016 0.000 1.098 431 I CB 2.183 40.159 38.000 -0.040 0.000 1.266 431 I HN 0.511 nan 8.210 nan 0.000 0.434 432 E N 7.684 127.882 120.200 -0.004 0.000 2.217 432 E HA 0.185 4.534 4.350 -0.002 0.000 0.279 432 E C -2.203 174.392 176.600 -0.008 0.000 1.068 432 E CA -1.639 54.763 56.400 0.002 0.000 0.882 432 E CB 0.606 30.315 29.700 0.015 0.000 1.039 432 E HN 0.268 nan 8.360 nan 0.000 0.418 433 P HA 0.023 nan 4.420 nan 0.000 0.272 433 P C -0.709 176.586 177.300 -0.008 0.000 1.223 433 P CA 0.003 63.096 63.100 -0.011 0.000 0.784 433 P CB 0.763 32.458 31.700 -0.009 0.000 0.923 434 D N 1.046 121.439 120.400 -0.011 0.000 2.402 434 D HA 0.340 4.979 4.640 -0.002 0.000 0.252 434 D C 0.801 177.097 176.300 -0.007 0.000 1.294 434 D CA -0.730 53.266 54.000 -0.006 0.000 0.948 434 D CB 1.218 42.015 40.800 -0.005 0.000 1.202 434 D HN 0.224 nan 8.370 nan 0.000 0.561 435 A N 2.986 125.804 122.820 -0.004 0.000 2.125 435 A HA 0.084 4.403 4.320 -0.002 0.000 0.219 435 A C 1.968 179.550 177.584 -0.003 0.000 1.156 435 A CA 1.573 53.607 52.037 -0.004 0.000 0.671 435 A CB -0.159 18.840 19.000 -0.003 0.000 0.794 435 A HN 0.575 nan 8.150 nan 0.000 0.459 436 A N -0.304 122.516 122.820 -0.000 0.000 2.066 436 A HA 0.187 4.506 4.320 -0.002 0.000 0.218 436 A C 0.973 178.557 177.584 0.000 0.000 1.157 436 A CA 0.373 52.411 52.037 0.002 0.000 0.670 436 A CB -0.359 18.645 19.000 0.005 0.000 0.804 436 A HN 0.464 nan 8.150 nan 0.000 0.453 437 I N 1.279 121.847 120.570 -0.003 0.000 2.337 437 I HA 0.074 4.243 4.170 -0.002 0.000 0.291 437 I C 1.545 177.656 176.117 -0.009 0.000 1.046 437 I CA 0.194 61.490 61.300 -0.006 0.000 1.324 437 I CB 1.433 39.426 38.000 -0.013 0.000 1.409 437 I HN 0.325 nan 8.210 nan 0.000 0.494 438 T N 1.868 116.418 114.554 -0.006 0.000 3.040 438 T HA 0.237 4.586 4.350 -0.002 0.000 0.252 438 T C 0.935 175.629 174.700 -0.010 0.000 1.064 438 T CA -0.076 62.020 62.100 -0.007 0.000 1.110 438 T CB 0.214 69.080 68.868 -0.003 0.000 0.921 438 T HN 0.555 nan 8.240 nan 0.000 0.480 439 A N 4.036 126.850 122.820 -0.010 0.000 2.498 439 A HA 0.528 4.847 4.320 -0.002 0.000 0.239 439 A C -2.012 175.558 177.584 -0.022 0.000 1.068 439 A CA -1.288 50.742 52.037 -0.012 0.000 0.766 439 A CB -0.158 18.836 19.000 -0.009 0.000 1.003 439 A HN 0.373 nan 8.150 nan 0.000 0.497 440 P HA 0.172 nan 4.420 nan 0.000 0.274 440 P C -0.213 177.057 177.300 -0.051 0.000 1.237 440 P CA -0.148 62.931 63.100 -0.034 0.000 0.793 440 P CB 0.390 32.074 31.700 -0.027 0.000 0.977 441 T N 1.561 116.075 114.554 -0.067 0.000 2.888 441 T HA 0.086 4.435 4.350 -0.002 0.000 0.301 441 T C 0.197 174.838 174.700 -0.099 0.000 1.001 441 T CA 0.328 62.371 62.100 -0.095 0.000 1.147 441 T CB -0.002 68.799 68.868 -0.112 0.000 0.931 441 T HN 0.418 nan 8.240 nan 0.000 0.541 442 E N 3.189 123.320 120.200 -0.115 0.000 2.176 442 E HA 0.550 4.899 4.350 -0.002 0.000 0.267 442 E C -1.108 175.386 176.600 -0.176 0.000 0.893 442 E CA -0.593 55.742 56.400 -0.108 0.000 0.761 442 E CB 0.845 30.499 29.700 -0.076 0.000 1.133 442 E HN 0.527 nan 8.360 nan 0.000 0.409 443 I N 3.982 124.448 120.570 -0.175 0.000 2.582 443 I HA 0.217 4.386 4.170 -0.002 0.000 0.292 443 I C -1.223 174.770 176.117 -0.207 0.000 1.066 443 I CA -1.103 60.038 61.300 -0.266 0.000 1.053 443 I CB 1.696 39.525 38.000 -0.285 0.000 1.241 443 I HN 0.568 nan 8.210 nan 0.000 0.421 444 Y N 7.067 127.093 120.300 -0.457 0.000 2.327 444 Y HA 0.646 5.195 4.550 -0.002 0.000 0.336 444 Y C -1.325 174.426 175.900 -0.248 0.000 1.035 444 Y CA -0.585 57.326 58.100 -0.315 0.000 1.165 444 Y CB 0.773 38.975 38.460 -0.430 0.000 1.181 444 Y HN 0.336 nan 8.280 nan 0.000 0.494 445 L N 9.623 130.331 121.223 -0.860 0.000 2.343 445 L HA 0.466 4.805 4.340 -0.002 0.000 0.278 445 L C -2.422 173.949 176.870 -0.832 0.000 0.996 445 L CA -2.274 52.016 54.840 -0.916 0.000 0.831 445 L CB 2.027 43.467 42.059 -1.031 0.000 1.232 445 L HN 0.545 nan 8.230 nan 0.000 0.413 446 P HA 0.024 nan 4.420 nan 0.000 0.271 446 P C 0.223 177.578 177.300 0.093 0.000 1.216 446 P CA -0.116 62.860 63.100 -0.206 0.000 0.776 446 P CB 1.351 33.076 31.700 0.042 0.000 0.881 447 E N 2.781 123.052 120.200 0.118 0.000 2.153 447 E HA -0.201 4.148 4.350 -0.002 0.000 0.194 447 E C 1.944 178.626 176.600 0.135 0.000 0.988 447 E CA 1.357 57.851 56.400 0.156 0.000 0.811 447 E CB -0.384 29.386 29.700 0.117 0.000 0.746 447 E HN 0.508 nan 8.360 nan 0.000 0.466 448 A N 0.525 123.411 122.820 0.110 0.000 1.884 448 A HA -0.196 4.123 4.320 -0.002 0.000 0.219 448 A C 2.353 179.961 177.584 0.039 0.000 1.197 448 A CA 2.108 54.189 52.037 0.073 0.000 0.637 448 A CB -1.165 17.879 19.000 0.072 0.000 0.827 448 A HN 0.450 nan 8.150 nan 0.000 0.450 449 G N -3.125 105.703 108.800 0.048 0.000 2.744 449 G HA2 0.342 4.301 3.960 -0.002 0.000 0.211 449 G HA3 0.342 4.301 3.960 -0.002 0.000 0.211 449 G C 0.142 174.813 174.900 -0.383 0.000 1.146 449 G CA 0.039 45.055 45.100 -0.141 0.000 0.787 449 G HN 0.329 nan 8.290 nan 0.000 0.534 450 F N 1.153 121.104 119.950 0.001 0.000 2.531 450 F HA 0.331 4.857 4.527 -0.002 0.000 0.333 450 F C -1.546 174.312 175.800 0.097 0.000 1.292 450 F CA -2.241 55.772 58.000 0.022 0.000 1.184 450 F CB 2.165 41.148 39.000 -0.028 0.000 1.426 450 F HN -0.069 nan 8.300 nan 0.000 0.559 451 P HA 0.086 nan 4.420 nan 0.000 0.233 451 P C 0.883 178.279 177.300 0.160 0.000 1.167 451 P CA 0.861 64.043 63.100 0.136 0.000 0.770 451 P CB 0.903 32.642 31.700 0.065 0.000 0.837 452 G N -0.710 108.212 108.800 0.204 0.000 3.382 452 G HA2 0.173 4.132 3.960 -0.002 0.000 0.183 452 G HA3 0.173 4.132 3.960 -0.002 0.000 0.183 452 G C -1.035 174.074 174.900 0.349 0.000 1.246 452 G CA 0.015 45.242 45.100 0.211 0.000 0.828 452 G HN 0.045 nan 8.290 nan 0.000 0.728 453 D N -0.103 120.455 120.400 0.263 0.000 2.387 453 D HA 0.450 5.089 4.640 -0.002 0.000 0.251 453 D C 0.446 176.828 176.300 0.137 0.000 1.141 453 D CA -0.104 54.061 54.000 0.275 0.000 0.987 453 D CB 1.625 42.533 40.800 0.181 0.000 1.116 453 D HN 0.462 nan 8.370 nan 0.000 0.491 454 V N -0.260 119.625 119.914 -0.049 0.000 2.769 454 V HA 0.494 4.613 4.120 -0.002 0.000 0.312 454 V C -0.480 175.605 176.094 -0.016 0.000 1.058 454 V CA -0.690 61.523 62.300 -0.144 0.000 0.952 454 V CB 1.731 33.202 31.823 -0.587 0.000 1.019 454 V HN 0.649 nan 8.190 nan 0.000 0.445 455 H N 2.118 121.152 119.070 -0.060 0.000 2.539 455 H HA 0.732 5.287 4.556 -0.002 0.000 0.332 455 H C -1.815 173.478 175.328 -0.057 0.000 1.031 455 H CA -0.382 55.640 56.048 -0.044 0.000 1.206 455 H CB 2.032 31.783 29.762 -0.017 0.000 1.446 455 H HN 0.657 nan 8.280 nan 0.000 0.496 456 V N 5.745 125.395 119.914 -0.440 0.000 2.487 456 V HA 0.237 4.356 4.120 -0.002 0.000 0.298 456 V C -0.312 175.590 176.094 -0.321 0.000 1.028 456 V CA -0.824 61.308 62.300 -0.280 0.000 0.860 456 V CB 1.864 33.556 31.823 -0.218 0.000 0.991 456 V HN 0.724 nan 8.190 nan 0.000 0.427 457 E N 2.356 122.464 120.200 -0.152 0.000 2.212 457 E HA 0.614 4.963 4.350 -0.002 0.000 0.268 457 E C 0.882 177.448 176.600 -0.057 0.000 0.902 457 E CA 0.181 56.527 56.400 -0.090 0.000 0.779 457 E CB 1.888 31.590 29.700 0.004 0.000 1.172 457 E HN 0.965 nan 8.360 nan 0.000 0.409 458 G N 1.158 109.929 108.800 -0.049 0.000 2.175 458 G HA2 -0.163 3.795 3.960 -0.002 0.000 0.244 458 G HA3 -0.163 3.795 3.960 -0.002 0.000 0.244 458 G C 0.195 175.066 174.900 -0.047 0.000 0.982 458 G CA 0.214 45.292 45.100 -0.037 0.000 0.641 458 G HN 0.849 nan 8.290 nan 0.000 0.527 459 A N -0.704 122.076 122.820 -0.066 0.000 2.609 459 A HA 0.678 4.997 4.320 -0.002 0.000 0.291 459 A C -1.511 176.027 177.584 -0.076 0.000 1.096 459 A CA -0.359 51.638 52.037 -0.067 0.000 0.684 459 A CB 1.239 20.195 19.000 -0.075 0.000 1.282 459 A HN 0.107 nan 8.150 nan 0.000 0.412 460 D N 1.018 121.381 120.400 -0.062 0.000 2.198 460 D HA 0.428 5.067 4.640 -0.002 0.000 0.245 460 D C -0.342 175.924 176.300 -0.056 0.000 1.079 460 D CA -0.009 53.957 54.000 -0.057 0.000 0.854 460 D CB 1.885 42.662 40.800 -0.039 0.000 1.148 460 D HN 0.194 nan 8.370 nan 0.000 0.456 461 V N 2.774 122.654 119.914 -0.057 0.000 2.427 461 V HA 0.015 4.134 4.120 -0.002 0.000 0.268 461 V C 1.607 177.695 176.094 -0.009 0.000 1.046 461 V CA -0.214 62.061 62.300 -0.042 0.000 0.970 461 V CB 1.116 32.913 31.823 -0.044 0.000 1.001 461 V HN 0.501 nan 8.190 nan 0.000 0.476 462 V N 2.151 122.065 119.914 -0.001 0.000 3.431 462 V HA 0.637 4.755 4.120 -0.002 0.000 0.253 462 V C 0.768 176.882 176.094 0.033 0.000 1.184 462 V CA 0.905 63.211 62.300 0.010 0.000 1.104 462 V CB 0.126 31.949 31.823 -0.000 0.000 0.799 462 V HN 0.878 nan 8.190 nan 0.000 0.462 463 G N -1.038 107.798 108.800 0.059 0.000 2.732 463 G HA2 0.458 4.417 3.960 -0.002 0.000 0.296 463 G HA3 0.458 4.417 3.960 -0.002 0.000 0.296 463 G C -2.256 172.772 174.900 0.213 0.000 1.448 463 G CA -0.438 44.721 45.100 0.098 0.000 0.911 463 G HN 0.420 nan 8.290 nan 0.000 0.528 464 W N 3.677 124.958 121.300 -0.032 0.000 2.664 464 W HA 0.444 5.103 4.660 -0.002 0.000 0.314 464 W C -1.913 174.594 176.519 -0.020 0.000 1.010 464 W CA -0.792 56.530 57.345 -0.038 0.000 1.306 464 W CB 1.856 31.293 29.460 -0.039 0.000 1.254 464 W HN 0.492 nan 8.180 nan 0.000 0.404 465 D N 5.204 125.380 120.400 -0.373 0.000 2.427 465 D HA 0.249 4.888 4.640 -0.002 0.000 0.226 465 D C 1.067 176.840 176.300 -0.879 0.000 1.076 465 D CA -0.161 53.548 54.000 -0.485 0.000 0.849 465 D CB 1.169 41.860 40.800 -0.181 0.000 1.052 465 D HN 0.525 nan 8.370 nan 0.000 0.515 466 R N 2.144 122.083 120.500 -0.935 0.000 2.280 466 R HA -0.029 4.310 4.340 -0.002 0.000 0.207 466 R C 1.528 177.625 176.300 -0.340 0.000 1.043 466 R CA 0.763 56.391 56.100 -0.787 0.000 1.006 466 R CB 0.471 30.457 30.300 -0.522 0.000 0.885 466 R HN 0.554 nan 8.270 nan 0.000 0.467 467 Q N -0.072 119.586 119.800 -0.238 0.000 2.084 467 Q HA -0.045 4.294 4.340 -0.002 0.000 0.194 467 Q C 2.152 178.157 176.000 0.007 0.000 0.969 467 Q CA 1.607 57.359 55.803 -0.085 0.000 0.829 467 Q CB 0.102 28.802 28.738 -0.064 0.000 0.904 467 Q HN 0.286 nan 8.270 nan 0.000 0.464 468 S N -0.060 115.649 115.700 0.015 0.000 2.515 468 S HA -0.025 4.444 4.470 -0.002 0.000 0.231 468 S C 0.583 175.326 174.600 0.237 0.000 0.987 468 S CA 0.132 58.434 58.200 0.170 0.000 0.936 468 S CB 0.136 63.399 63.200 0.106 0.000 0.766 468 S HN 0.226 nan 8.310 nan 0.000 0.528 469 R N -0.196 120.339 120.500 0.057 0.000 3.878 469 R HA -0.093 4.246 4.340 -0.002 0.000 0.330 469 R C -0.925 175.562 176.300 0.312 0.000 1.186 469 R CA 0.589 56.768 56.100 0.132 0.000 0.885 469 R CB -2.865 27.586 30.300 0.250 0.000 1.377 469 R HN 0.538 nan 8.270 nan 0.000 0.523 470 L N 1.178 122.542 121.223 0.235 0.000 2.272 470 L HA 0.434 4.773 4.340 -0.002 0.000 0.289 470 L C 0.382 177.474 176.870 0.370 0.000 1.032 470 L CA -0.975 54.012 54.840 0.245 0.000 0.810 470 L CB 1.218 43.361 42.059 0.138 0.000 1.205 470 L HN -0.084 nan 8.230 nan 0.000 0.422 471 L N 4.220 125.607 121.223 0.273 0.000 2.289 471 L HA 0.555 4.894 4.340 -0.002 0.000 0.285 471 L C 0.103 176.987 176.870 0.023 0.000 1.049 471 L CA 0.275 55.211 54.840 0.160 0.000 0.804 471 L CB 1.692 43.618 42.059 -0.221 0.000 1.195 471 L HN 0.649 nan 8.230 nan 0.000 0.428 472 T N 3.229 117.806 114.554 0.038 0.000 2.824 472 T HA 0.751 5.100 4.350 -0.002 0.000 0.282 472 T C -0.402 174.281 174.700 -0.028 0.000 0.993 472 T CA -0.482 61.613 62.100 -0.008 0.000 0.967 472 T CB 1.331 70.205 68.868 0.010 0.000 0.960 472 T HN 0.757 nan 8.240 nan 0.000 0.441 473 V N 0.353 120.234 119.914 -0.055 0.000 3.130 473 V HA 0.826 4.945 4.120 -0.002 0.000 0.310 473 V C -1.028 175.033 176.094 -0.054 0.000 1.158 473 V CA -1.440 60.823 62.300 -0.061 0.000 1.029 473 V CB 2.203 33.973 31.823 -0.089 0.000 1.057 473 V HN 1.007 nan 8.190 nan 0.000 0.436 474 R N 1.021 121.493 120.500 -0.047 0.000 2.686 474 R HA 0.807 5.146 4.340 -0.002 0.000 0.286 474 R C -0.826 175.449 176.300 -0.042 0.000 0.969 474 R CA -0.248 55.827 56.100 -0.041 0.000 0.898 474 R CB 2.472 32.754 30.300 -0.030 0.000 1.183 474 R HN 1.071 nan 8.270 nan 0.000 0.456 475 T N -0.799 113.731 114.554 -0.039 0.000 2.908 475 T HA 0.542 4.891 4.350 -0.002 0.000 0.290 475 T C -2.329 172.355 174.700 -0.027 0.000 1.034 475 T CA -1.842 60.236 62.100 -0.035 0.000 1.010 475 T CB 1.729 70.574 68.868 -0.039 0.000 1.068 475 T HN 0.318 nan 8.240 nan 0.000 0.481 476 P HA 0.421 nan 4.420 nan 0.000 0.271 476 P C -0.071 177.220 177.300 -0.015 0.000 1.218 476 P CA -0.597 62.493 63.100 -0.016 0.000 0.780 476 P CB 0.759 32.451 31.700 -0.014 0.000 0.901 477 A N 1.441 124.254 122.820 -0.012 0.000 2.470 477 A HA 0.109 4.428 4.320 -0.002 0.000 0.251 477 A C 0.697 178.277 177.584 -0.006 0.000 1.245 477 A CA 0.023 52.054 52.037 -0.010 0.000 0.932 477 A CB -0.220 18.774 19.000 -0.010 0.000 1.037 477 A HN 0.574 nan 8.150 nan 0.000 0.522 478 D N -1.546 118.851 120.400 -0.005 0.000 2.571 478 D HA 0.187 4.826 4.640 -0.002 0.000 0.239 478 D C 0.142 176.440 176.300 -0.003 0.000 1.267 478 D CA 0.294 54.292 54.000 -0.003 0.000 0.823 478 D CB -0.224 40.575 40.800 -0.003 0.000 1.056 478 D HN 0.002 nan 8.370 nan 0.000 0.494 479 S N -0.264 115.434 115.700 -0.003 0.000 2.952 479 S HA 0.582 5.051 4.470 -0.002 0.000 0.251 479 S C 0.827 175.427 174.600 -0.000 0.000 1.021 479 S CA -0.218 57.981 58.200 -0.002 0.000 1.067 479 S CB 1.079 64.277 63.200 -0.004 0.000 1.002 479 S HN 0.718 nan 8.310 nan 0.000 0.574 480 G N 2.755 111.556 108.800 0.000 0.000 2.642 480 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.231 480 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.231 480 G C -0.761 174.140 174.900 0.002 0.000 1.338 480 G CA -0.892 44.209 45.100 0.003 0.000 0.883 480 G HN 0.377 nan 8.290 nan 0.000 0.570 481 N N -0.467 118.237 118.700 0.006 0.000 2.458 481 N HA 0.357 5.096 4.740 -0.002 0.000 0.258 481 N C 0.217 175.729 175.510 0.004 0.000 1.219 481 N CA 0.184 53.238 53.050 0.007 0.000 0.902 481 N CB 1.230 39.725 38.487 0.014 0.000 1.076 481 N HN 0.684 nan 8.380 nan 0.000 0.455 482 V N 1.889 121.803 119.914 0.000 0.000 2.459 482 V HA 0.362 4.481 4.120 -0.002 0.000 0.295 482 V C 0.237 176.331 176.094 0.000 0.000 1.029 482 V CA -0.641 61.657 62.300 -0.004 0.000 0.874 482 V CB 1.858 33.673 31.823 -0.014 0.000 0.985 482 V HN 0.583 nan 8.190 nan 0.000 0.438 483 T N 4.394 118.950 114.554 0.004 0.000 2.771 483 T HA 0.575 4.924 4.350 -0.002 0.000 0.281 483 T C -0.357 174.343 174.700 0.001 0.000 0.982 483 T CA -0.324 61.783 62.100 0.011 0.000 0.978 483 T CB 1.438 70.319 68.868 0.021 0.000 0.930 483 T HN 0.361 nan 8.240 nan 0.000 0.447 484 V N 3.905 123.817 119.914 -0.003 0.000 2.417 484 V HA 0.540 4.659 4.120 -0.002 0.000 0.291 484 V C 0.112 176.202 176.094 -0.007 0.000 1.024 484 V CA -0.700 61.586 62.300 -0.022 0.000 0.861 484 V CB 1.867 33.660 31.823 -0.051 0.000 0.985 484 V HN 0.961 nan 8.190 nan 0.000 0.436 485 T N 4.262 118.813 114.554 -0.005 0.000 2.809 485 T HA 0.594 4.943 4.350 -0.002 0.000 0.284 485 T C -0.525 174.186 174.700 0.018 0.000 0.992 485 T CA -0.416 61.698 62.100 0.025 0.000 0.957 485 T CB 1.614 70.511 68.868 0.049 0.000 0.942 485 T HN 0.342 nan 8.240 nan 0.000 0.439 486 V N 4.256 124.186 119.914 0.027 0.000 2.409 486 V HA 0.765 4.884 4.120 -0.002 0.000 0.291 486 V C 0.293 176.505 176.094 0.196 0.000 1.020 486 V CA -0.751 61.560 62.300 0.018 0.000 0.848 486 V CB 1.503 33.237 31.823 -0.147 0.000 0.990 486 V HN 1.116 nan 8.190 nan 0.000 0.430 487 T N 3.288 117.990 114.554 0.247 0.000 2.883 487 T HA 0.696 5.045 4.350 -0.002 0.000 0.296 487 T C -3.218 171.615 174.700 0.222 0.000 1.117 487 T CA -2.488 59.753 62.100 0.234 0.000 1.006 487 T CB 2.412 71.333 68.868 0.088 0.000 1.191 487 T HN 0.343 nan 8.240 nan 0.000 0.508 488 P HA 0.444 nan 4.420 nan 0.000 0.275 488 P C -0.510 176.793 177.300 0.006 0.000 1.227 488 P CA -0.322 62.744 63.100 -0.058 0.000 0.781 488 P CB 0.210 31.728 31.700 -0.303 0.000 0.906 489 A N 3.053 125.909 122.820 0.061 0.000 2.407 489 A HA 0.512 4.831 4.320 -0.002 0.000 0.248 489 A C 0.757 178.347 177.584 0.009 0.000 1.082 489 A CA -0.019 52.052 52.037 0.056 0.000 0.785 489 A CB -0.323 18.731 19.000 0.091 0.000 1.020 489 A HN 0.624 nan 8.150 nan 0.000 0.489 490 A N 0.000 122.811 122.820 -0.015 0.000 2.254 490 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 490 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 490 A CB 0.000 18.977 19.000 -0.038 0.000 0.831 490 A HN 0.000 nan 8.150 nan 0.000 0.486