REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2oym_1_B DATA FIRST_RESID 43 DATA SEQUENCE PSYLKDDDGR SLILRGFNTA SSAKSAPDGM PQFTEADLAR EYADMGTNFV DATA SEQUENCE RFLISWRSVE PAPGVYDQQY LDRVEDRVGW YAERGYKVML DMHQDVYSGA DATA SEQUENCE ITPXXXXXXX XXXIGNGAPA 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 0.000 177.222 177.300 -0.130 0.000 1.155 43 P CA 0.000 63.029 63.100 -0.119 0.000 0.800 43 P CB 0.000 31.560 31.700 -0.233 0.000 0.726 44 S N 0.293 115.859 115.700 -0.223 0.000 2.565 44 S HA 0.767 5.236 4.470 -0.002 0.000 0.290 44 S C -1.130 173.259 174.600 -0.352 0.000 1.150 44 S CA -0.466 57.661 58.200 -0.123 0.000 1.058 44 S CB 0.520 63.701 63.200 -0.032 0.000 1.032 44 S HN 0.337 nan 8.310 nan 0.000 0.510 45 Y N 0.682 120.966 120.300 -0.026 0.000 2.499 45 Y HA 0.498 5.047 4.550 -0.002 0.000 0.347 45 Y C -0.264 175.514 175.900 -0.202 0.000 0.987 45 Y CA -1.143 56.893 58.100 -0.106 0.000 1.044 45 Y CB 0.728 39.139 38.460 -0.081 0.000 1.245 45 Y HN 0.378 nan 8.280 nan 0.000 0.461 46 L N 3.729 124.758 121.223 -0.324 0.000 2.483 46 L HA 0.153 4.492 4.340 -0.002 0.000 0.276 46 L C -0.194 176.435 176.870 -0.402 0.000 1.213 46 L CA 0.231 54.541 54.840 -0.883 0.000 0.843 46 L CB 0.076 41.432 42.059 -1.172 0.000 1.107 46 L HN 0.447 nan 8.230 nan 0.000 0.487 47 K N 1.279 121.493 120.400 -0.310 0.000 2.318 47 K HA 0.408 4.727 4.320 -0.002 0.000 0.249 47 K C -0.881 175.752 176.600 0.054 0.000 0.942 47 K CA -0.915 55.373 56.287 0.002 0.000 0.808 47 K CB 1.815 34.413 32.500 0.163 0.000 1.189 47 K HN 0.613 nan 8.250 nan 0.000 0.428 48 D N -0.312 120.110 120.400 0.036 0.000 2.447 48 D HA 0.073 4.712 4.640 -0.002 0.000 0.265 48 D C 0.218 176.571 176.300 0.088 0.000 1.250 48 D CA -0.193 53.845 54.000 0.063 0.000 1.046 48 D CB 0.469 41.286 40.800 0.029 0.000 1.095 48 D HN 0.260 nan 8.370 nan 0.000 0.555 49 D N -1.213 119.234 120.400 0.078 0.000 2.348 49 D HA -0.061 4.578 4.640 -0.002 0.000 0.216 49 D C 0.523 176.852 176.300 0.049 0.000 0.970 49 D CA 0.631 54.673 54.000 0.070 0.000 0.889 49 D CB -0.057 40.779 40.800 0.061 0.000 0.912 49 D HN 0.378 nan 8.370 nan 0.000 0.524 50 D N -0.581 119.841 120.400 0.037 0.000 2.340 50 D HA 0.086 4.725 4.640 -0.002 0.000 0.220 50 D C 1.442 177.755 176.300 0.023 0.000 1.039 50 D CA 0.553 54.567 54.000 0.023 0.000 0.866 50 D CB 0.740 41.546 40.800 0.011 0.000 0.913 50 D HN 0.238 nan 8.370 nan 0.000 0.523 51 G N 1.862 110.685 108.800 0.037 0.000 2.143 51 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.249 51 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.249 51 G C 0.281 175.191 174.900 0.015 0.000 0.981 51 G CA -0.304 44.820 45.100 0.041 0.000 0.665 51 G HN 0.261 nan 8.290 nan 0.000 0.528 52 R N 0.458 120.955 120.500 -0.005 0.000 2.490 52 R HA 0.501 4.840 4.340 -0.002 0.000 0.278 52 R C 0.206 176.468 176.300 -0.064 0.000 1.069 52 R CA -0.074 55.999 56.100 -0.044 0.000 1.080 52 R CB 0.788 31.055 30.300 -0.055 0.000 1.030 52 R HN 0.185 nan 8.270 nan 0.000 0.491 53 S N 2.768 118.393 115.700 -0.125 0.000 2.499 53 S HA 0.232 4.701 4.470 -0.002 0.000 0.275 53 S C -0.014 174.469 174.600 -0.196 0.000 1.257 53 S CA -0.555 57.535 58.200 -0.184 0.000 1.050 53 S CB 0.435 63.392 63.200 -0.404 0.000 0.937 53 S HN 0.300 nan 8.310 nan 0.000 0.490 54 L N 4.344 125.505 121.223 -0.102 0.000 2.264 54 L HA 0.492 4.831 4.340 -0.002 0.000 0.289 54 L C -0.396 176.473 176.870 -0.001 0.000 1.044 54 L CA -0.313 54.479 54.840 -0.080 0.000 0.807 54 L CB 0.741 42.732 42.059 -0.114 0.000 1.192 54 L HN 0.526 nan 8.230 nan 0.000 0.425 55 I N 5.167 125.733 120.570 -0.007 0.000 2.307 55 I HA 0.282 4.451 4.170 -0.002 0.000 0.289 55 I C -0.409 175.759 176.117 0.085 0.000 1.021 55 I CA -0.272 61.080 61.300 0.086 0.000 1.224 55 I CB 1.032 39.074 38.000 0.070 0.000 1.376 55 I HN 0.396 nan 8.210 nan 0.000 0.470 56 L N 7.389 128.590 121.223 -0.036 0.000 2.272 56 L HA 0.559 4.898 4.340 -0.002 0.000 0.289 56 L C -0.167 176.679 176.870 -0.040 0.000 1.032 56 L CA -0.643 54.097 54.840 -0.167 0.000 0.810 56 L CB 0.765 42.363 42.059 -0.769 0.000 1.205 56 L HN 0.464 nan 8.230 nan 0.000 0.422 57 R N 2.962 123.525 120.500 0.104 0.000 2.502 57 R HA 0.748 5.087 4.340 -0.002 0.000 0.298 57 R C -0.301 176.128 176.300 0.215 0.000 1.018 57 R CA -0.505 55.632 56.100 0.063 0.000 0.899 57 R CB 1.967 32.032 30.300 -0.391 0.000 1.181 57 R HN 0.858 nan 8.270 nan 0.000 0.444 58 G N 1.583 110.532 108.800 0.248 0.000 2.510 58 G HA2 0.529 4.488 3.960 -0.002 0.000 0.277 58 G HA3 0.529 4.488 3.960 -0.002 0.000 0.277 58 G C -1.673 173.175 174.900 -0.086 0.000 1.223 58 G CA -0.420 44.801 45.100 0.202 0.000 0.887 58 G HN 0.200 nan 8.290 nan 0.000 0.485 59 F N 0.335 120.390 119.950 0.175 0.000 2.611 59 F HA 0.490 5.016 4.527 -0.001 0.000 0.324 59 F C 0.401 176.185 175.800 -0.028 0.000 1.061 59 F CA -0.967 57.099 58.000 0.111 0.000 0.954 59 F CB 2.015 41.057 39.000 0.070 0.000 1.301 59 F HN 0.125 nan 8.300 nan 0.000 0.482 60 N N 0.993 119.797 118.700 0.174 0.000 2.442 60 N HA 0.208 4.947 4.740 -0.002 0.000 0.265 60 N C -1.079 174.310 175.510 -0.202 0.000 1.138 60 N CA 0.349 53.396 53.050 -0.006 0.000 0.956 60 N CB 1.107 39.638 38.487 0.073 0.000 1.067 60 N HN 0.488 nan 8.380 nan 0.000 0.474 61 T N 1.436 115.817 114.554 -0.287 0.000 2.930 61 T HA 0.606 4.955 4.350 -0.002 0.000 0.313 61 T C -0.615 173.728 174.700 -0.595 0.000 1.019 61 T CA -0.559 61.271 62.100 -0.451 0.000 1.004 61 T CB 1.166 69.724 68.868 -0.517 0.000 0.987 61 T HN 0.604 nan 8.240 nan 0.000 0.456 62 A N 1.581 124.078 122.820 -0.538 0.000 2.610 62 A HA 0.785 5.104 4.320 -0.002 0.000 0.291 62 A C 1.160 178.495 177.584 -0.415 0.000 1.086 62 A CA -0.504 51.259 52.037 -0.457 0.000 0.677 62 A CB 1.012 19.811 19.000 -0.335 0.000 1.278 62 A HN 0.507 nan 8.150 nan 0.000 0.414 63 S N 0.068 115.495 115.700 -0.455 0.000 2.400 63 S HA -0.169 4.300 4.470 -0.002 0.000 0.232 63 S C 2.057 176.534 174.600 -0.205 0.000 1.025 63 S CA 2.703 60.728 58.200 -0.291 0.000 0.993 63 S CB -0.546 62.501 63.200 -0.256 0.000 0.808 63 S HN 1.689 nan 8.310 nan 0.000 0.478 64 S N 1.384 116.972 115.700 -0.186 0.000 2.419 64 S HA -0.028 4.441 4.470 -0.002 0.000 0.235 64 S C 1.941 176.473 174.600 -0.112 0.000 1.019 64 S CA 1.048 59.174 58.200 -0.122 0.000 0.982 64 S CB -0.776 62.378 63.200 -0.076 0.000 0.789 64 S HN 0.656 nan 8.310 nan 0.000 0.490 65 A N 1.922 124.652 122.820 -0.149 0.000 2.067 65 A HA 0.011 4.330 4.320 -0.002 0.000 0.219 65 A C 2.191 179.705 177.584 -0.118 0.000 1.158 65 A CA 1.256 53.215 52.037 -0.131 0.000 0.661 65 A CB -0.504 18.373 19.000 -0.205 0.000 0.801 65 A HN 0.599 nan 8.150 nan 0.000 0.452 66 K N 0.279 120.597 120.400 -0.136 0.000 2.032 66 K HA -0.140 4.179 4.320 -0.002 0.000 0.209 66 K C 2.034 178.569 176.600 -0.109 0.000 1.048 66 K CA 1.852 58.070 56.287 -0.115 0.000 0.927 66 K CB -0.165 32.264 32.500 -0.118 0.000 0.712 66 K HN 0.645 nan 8.250 nan 0.000 0.441 67 S N -0.489 115.146 115.700 -0.109 0.000 2.539 67 S HA 0.291 4.760 4.470 -0.002 0.000 0.221 67 S C 0.533 175.084 174.600 -0.081 0.000 0.987 67 S CA -0.470 57.668 58.200 -0.103 0.000 0.929 67 S CB 0.539 63.674 63.200 -0.108 0.000 0.832 67 S HN 0.191 nan 8.310 nan 0.000 0.492 68 A N 3.290 126.069 122.820 -0.069 0.000 2.522 68 A HA 0.473 4.792 4.320 -0.002 0.000 0.256 68 A C -0.986 176.572 177.584 -0.043 0.000 1.086 68 A CA -1.127 50.884 52.037 -0.043 0.000 0.763 68 A CB -0.120 18.867 19.000 -0.021 0.000 1.024 68 A HN 0.281 nan 8.150 nan 0.000 0.502 69 P HA -0.200 nan 4.420 nan 0.000 0.216 69 P C 0.714 177.996 177.300 -0.030 0.000 1.153 69 P CA 1.803 64.879 63.100 -0.041 0.000 0.858 69 P CB 0.076 31.759 31.700 -0.028 0.000 0.789 70 D N -2.007 118.398 120.400 0.008 0.000 2.336 70 D HA 0.078 4.717 4.640 -0.002 0.000 0.229 70 D C 1.358 177.721 176.300 0.105 0.000 1.061 70 D CA 0.570 54.603 54.000 0.055 0.000 0.875 70 D CB -1.080 39.769 40.800 0.081 0.000 0.904 70 D HN 0.241 nan 8.370 nan 0.000 0.525 71 G N -0.121 108.701 108.800 0.036 0.000 2.162 71 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.260 71 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.260 71 G C 0.086 175.098 174.900 0.187 0.000 0.976 71 G CA 0.641 45.779 45.100 0.063 0.000 0.655 71 G HN 0.277 nan 8.290 nan 0.000 0.533 72 M N 0.933 120.618 119.600 0.143 0.000 2.472 72 M HA 0.481 4.960 4.480 -0.002 0.000 0.331 72 M C -2.204 174.131 176.300 0.058 0.000 1.170 72 M CA -3.394 51.988 55.300 0.137 0.000 1.009 72 M CB 0.846 33.546 32.600 0.166 0.000 1.672 72 M HN -0.041 nan 8.290 nan 0.000 0.453 73 P HA 0.128 nan 4.420 nan 0.000 0.274 73 P C -0.908 176.467 177.300 0.125 0.000 1.237 73 P CA -0.215 62.893 63.100 0.013 0.000 0.793 73 P CB 0.374 32.041 31.700 -0.055 0.000 0.977 74 Q N 1.275 121.130 119.800 0.091 0.000 3.026 74 Q HA 0.285 4.624 4.340 -0.002 0.000 0.258 74 Q C -0.921 175.192 176.000 0.189 0.000 1.388 74 Q CA 0.245 56.113 55.803 0.108 0.000 1.000 74 Q CB -0.708 28.055 28.738 0.043 0.000 1.634 74 Q HN 0.398 nan 8.270 nan 0.000 0.571 75 F N 0.674 120.669 119.950 0.076 0.000 2.588 75 F HA 0.307 4.833 4.527 -0.002 0.000 0.318 75 F C -0.385 175.535 175.800 0.200 0.000 1.155 75 F CA -0.578 57.478 58.000 0.094 0.000 0.967 75 F CB 1.543 40.614 39.000 0.119 0.000 1.236 75 F HN 0.118 nan 8.300 nan 0.000 0.455 76 T N 0.619 114.958 114.554 -0.358 0.000 2.938 76 T HA 0.312 4.661 4.350 -0.002 0.000 0.285 76 T C 0.812 174.986 174.700 -0.877 0.000 1.028 76 T CA -0.366 61.495 62.100 -0.399 0.000 1.005 76 T CB 1.720 70.366 68.868 -0.369 0.000 1.157 76 T HN 0.813 nan 8.240 nan 0.000 0.550 77 E N 0.199 119.542 120.200 -1.429 0.000 2.153 77 E HA -0.118 4.231 4.350 -0.002 0.000 0.194 77 E C 2.218 178.375 176.600 -0.739 0.000 0.988 77 E CA 1.220 56.792 56.400 -1.379 0.000 0.811 77 E CB -0.552 28.148 29.700 -1.667 0.000 0.746 77 E HN 0.764 nan 8.360 nan 0.000 0.466 78 A N 1.117 123.576 122.820 -0.601 0.000 1.933 78 A HA -0.203 4.116 4.320 -0.002 0.000 0.218 78 A C 1.762 179.084 177.584 -0.437 0.000 1.175 78 A CA 1.724 53.508 52.037 -0.421 0.000 0.628 78 A CB -0.391 18.408 19.000 -0.336 0.000 0.814 78 A HN 0.267 nan 8.150 nan 0.000 0.444 79 D N -0.354 119.677 120.400 -0.614 0.000 2.117 79 D HA -0.126 4.513 4.640 -0.002 0.000 0.197 79 D C 1.831 177.798 176.300 -0.555 0.000 0.987 79 D CA 1.150 54.725 54.000 -0.709 0.000 0.829 79 D CB -0.401 39.707 40.800 -1.152 0.000 0.961 79 D HN 0.338 nan 8.370 nan 0.000 0.460 80 L N 1.245 122.116 121.223 -0.587 0.000 2.046 80 L HA -0.077 4.262 4.340 -0.002 0.000 0.208 80 L C 2.189 179.052 176.870 -0.012 0.000 1.077 80 L CA 1.635 56.404 54.840 -0.118 0.000 0.747 80 L CB -0.955 40.996 42.059 -0.180 0.000 0.896 80 L HN -0.036 nan 8.230 nan 0.000 0.432 81 A N -0.409 122.340 122.820 -0.119 0.000 1.908 81 A HA -0.289 4.030 4.320 -0.002 0.000 0.218 81 A C 2.564 180.178 177.584 0.049 0.000 1.181 81 A CA 2.030 54.057 52.037 -0.016 0.000 0.627 81 A CB -0.681 18.257 19.000 -0.104 0.000 0.818 81 A HN 0.520 nan 8.150 nan 0.000 0.445 82 R N -0.362 120.109 120.500 -0.049 0.000 2.073 82 R HA -0.174 4.165 4.340 -0.002 0.000 0.234 82 R C 2.269 178.638 176.300 0.116 0.000 1.134 82 R CA 1.751 57.832 56.100 -0.032 0.000 0.952 82 R CB -0.340 29.826 30.300 -0.223 0.000 0.850 82 R HN 0.732 nan 8.270 nan 0.000 0.433 83 E N -0.639 119.663 120.200 0.171 0.000 2.038 83 E HA -0.278 4.071 4.350 -0.002 0.000 0.195 83 E C 1.800 178.594 176.600 0.324 0.000 1.000 83 E CA 1.573 58.166 56.400 0.321 0.000 0.803 83 E CB -0.302 29.634 29.700 0.393 0.000 0.750 83 E HN 0.436 nan 8.360 nan 0.000 0.448 84 Y N 0.611 121.067 120.300 0.260 0.000 2.181 84 Y HA -0.189 4.360 4.550 -0.002 0.000 0.288 84 Y C 2.097 178.091 175.900 0.156 0.000 1.146 84 Y CA 1.781 60.027 58.100 0.244 0.000 1.164 84 Y CB -0.544 38.082 38.460 0.276 0.000 0.982 84 Y HN 0.161 nan 8.280 nan 0.000 0.515 85 A N -0.240 122.660 122.820 0.133 0.000 1.933 85 A HA -0.172 4.147 4.320 -0.002 0.000 0.218 85 A C 1.826 179.447 177.584 0.062 0.000 1.175 85 A CA 2.080 54.166 52.037 0.081 0.000 0.628 85 A CB -0.654 18.413 19.000 0.111 0.000 0.814 85 A HN 0.508 nan 8.150 nan 0.000 0.444 86 D N -1.560 118.902 120.400 0.105 0.000 2.271 86 D HA 0.099 4.738 4.640 -0.002 0.000 0.206 86 D C 1.609 177.973 176.300 0.107 0.000 0.967 86 D CA 1.051 55.130 54.000 0.132 0.000 0.867 86 D CB 0.108 41.037 40.800 0.215 0.000 0.960 86 D HN 0.478 nan 8.370 nan 0.000 0.509 87 M N -1.800 117.832 119.600 0.054 0.000 2.231 87 M HA 0.225 4.704 4.480 -0.002 0.000 0.347 87 M C 0.729 176.867 176.300 -0.271 0.000 0.901 87 M CA 0.154 55.463 55.300 0.015 0.000 1.064 87 M CB 2.140 34.812 32.600 0.120 0.000 1.861 87 M HN -0.031 nan 8.290 nan 0.000 0.638 88 G N 3.122 111.561 108.800 -0.602 0.000 2.305 88 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.287 88 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.287 88 G C 0.168 174.733 174.900 -0.558 0.000 1.036 88 G CA 0.593 44.918 45.100 -1.291 0.000 0.887 88 G HN 0.534 nan 8.290 nan 0.000 0.505 89 T N -1.819 112.699 114.554 -0.060 0.000 2.900 89 T HA 0.455 4.804 4.350 -0.002 0.000 0.307 89 T C 1.047 175.742 174.700 -0.008 0.000 1.065 89 T CA 0.256 62.461 62.100 0.175 0.000 1.105 89 T CB 1.485 70.637 68.868 0.474 0.000 0.979 89 T HN 0.790 nan 8.240 nan 0.000 0.544 90 N N -0.329 118.423 118.700 0.087 0.000 2.160 90 N HA 0.163 4.902 4.740 -0.002 0.000 0.226 90 N C -0.882 174.813 175.510 0.309 0.000 1.256 90 N CA -0.573 52.426 53.050 -0.085 0.000 0.890 90 N CB 0.225 38.776 38.487 0.107 0.000 1.116 90 N HN 0.568 nan 8.380 nan 0.000 0.517 91 F N 0.376 120.542 119.950 0.360 0.000 2.613 91 F HA 0.722 5.248 4.527 -0.001 0.000 0.310 91 F C -1.616 174.395 175.800 0.352 0.000 1.085 91 F CA -1.310 56.882 58.000 0.320 0.000 0.945 91 F CB 1.978 41.083 39.000 0.175 0.000 1.298 91 F HN -0.181 nan 8.300 nan 0.000 0.455 92 V N 5.548 125.114 119.914 -0.580 0.000 2.808 92 V HA 0.561 4.680 4.120 -0.002 0.000 0.308 92 V C -1.451 174.083 176.094 -0.933 0.000 1.099 92 V CA -0.754 61.155 62.300 -0.651 0.000 0.920 92 V CB 2.113 33.499 31.823 -0.728 0.000 1.014 92 V HN 0.856 nan 8.190 nan 0.000 0.425 93 R N 5.225 125.383 120.500 -0.570 0.000 2.280 93 R HA 0.392 4.731 4.340 -0.002 0.000 0.326 93 R C -1.508 174.725 176.300 -0.112 0.000 1.080 93 R CA -0.450 55.491 56.100 -0.266 0.000 1.002 93 R CB 0.550 30.821 30.300 -0.049 0.000 1.136 93 R HN 0.633 nan 8.270 nan 0.000 0.509 94 F N 5.399 125.208 119.950 -0.235 0.000 2.411 94 F HA 0.299 4.825 4.527 -0.002 0.000 0.355 94 F C -0.759 174.998 175.800 -0.073 0.000 1.117 94 F CA -0.835 57.039 58.000 -0.209 0.000 1.139 94 F CB 0.666 39.491 39.000 -0.292 0.000 1.120 94 F HN 0.365 nan 8.300 nan 0.000 0.493 95 L N 8.023 128.941 121.223 -0.508 0.000 2.369 95 L HA 0.265 4.604 4.340 -0.002 0.000 0.279 95 L C 0.301 177.066 176.870 -0.175 0.000 1.108 95 L CA 0.281 54.971 54.840 -0.250 0.000 0.852 95 L CB 0.058 41.920 42.059 -0.328 0.000 1.169 95 L HN 0.521 nan 8.230 nan 0.000 0.452 96 I N -0.016 120.599 120.570 0.075 0.000 3.217 96 I HA 0.944 5.113 4.170 -0.002 0.000 0.308 96 I C -0.159 176.031 176.117 0.122 0.000 1.091 96 I CA -0.678 60.727 61.300 0.176 0.000 1.013 96 I CB 2.290 40.405 38.000 0.190 0.000 1.250 96 I HN 0.555 nan 8.210 nan 0.000 0.496 97 S N 0.137 115.896 115.700 0.099 0.000 2.533 97 S HA 0.229 4.698 4.470 -0.002 0.000 0.271 97 S C -0.346 174.271 174.600 0.028 0.000 1.143 97 S CA -0.759 57.459 58.200 0.030 0.000 0.891 97 S CB 1.392 64.569 63.200 -0.038 0.000 1.105 97 S HN 0.979 nan 8.310 nan 0.000 0.468 98 W N 3.763 124.959 121.300 -0.173 0.000 2.358 98 W HA -0.120 4.539 4.660 -0.001 0.000 0.303 98 W C 2.191 178.621 176.519 -0.149 0.000 1.208 98 W CA 1.706 58.948 57.345 -0.171 0.000 1.274 98 W CB -0.607 28.770 29.460 -0.138 0.000 1.138 98 W HN 0.963 nan 8.180 nan 0.000 0.515 99 R N -0.144 120.268 120.500 -0.147 0.000 2.105 99 R HA -0.105 4.234 4.340 -0.002 0.000 0.239 99 R C 2.051 178.218 176.300 -0.221 0.000 1.135 99 R CA 2.301 58.233 56.100 -0.279 0.000 0.967 99 R CB -1.482 28.644 30.300 -0.290 0.000 0.861 99 R HN -0.039 nan 8.270 nan 0.000 0.442 100 S N 0.139 115.648 115.700 -0.320 0.000 2.395 100 S HA 0.035 4.504 4.470 -0.002 0.000 0.225 100 S C 1.920 176.278 174.600 -0.403 0.000 1.027 100 S CA 0.918 58.743 58.200 -0.625 0.000 0.965 100 S CB -0.077 62.262 63.200 -1.436 0.000 0.812 100 S HN 0.141 nan 8.310 nan 0.000 0.482 101 V N 0.952 120.811 119.914 -0.092 0.000 2.358 101 V HA -0.016 4.103 4.120 -0.002 0.000 0.246 101 V C 1.232 177.529 176.094 0.337 0.000 1.047 101 V CA 1.220 63.656 62.300 0.226 0.000 1.035 101 V CB -0.210 31.727 31.823 0.191 0.000 0.658 101 V HN 0.443 nan 8.190 nan 0.000 0.452 102 E N 0.183 120.568 120.200 0.309 0.000 3.374 102 E HA 0.188 4.537 4.350 -0.002 0.000 0.223 102 E C -2.028 174.728 176.600 0.260 0.000 1.210 102 E CA -1.500 55.124 56.400 0.373 0.000 0.987 102 E CB 1.496 31.589 29.700 0.655 0.000 1.322 102 E HN 0.292 nan 8.360 nan 0.000 0.404 103 P HA 0.012 nan 4.420 nan 0.000 0.226 103 P C -0.007 177.400 177.300 0.179 0.000 1.153 103 P CA 0.509 63.673 63.100 0.106 0.000 0.777 103 P CB 0.420 32.128 31.700 0.013 0.000 0.794 104 A N -0.405 122.430 122.820 0.025 0.000 2.498 104 A HA 0.665 4.984 4.320 -0.002 0.000 0.298 104 A C -2.985 174.206 177.584 -0.655 0.000 1.075 104 A CA -2.158 49.668 52.037 -0.351 0.000 0.714 104 A CB 0.713 19.565 19.000 -0.246 0.000 1.299 104 A HN -0.230 nan 8.150 nan 0.000 0.407 105 P HA 0.267 nan 4.420 nan 0.000 0.263 105 P C 1.029 178.086 177.300 -0.405 0.000 1.195 105 P CA 2.127 64.525 63.100 -1.169 0.000 0.762 105 P CB 0.552 31.579 31.700 -1.122 0.000 0.799 106 G N 1.702 110.400 108.800 -0.170 0.000 2.184 106 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.264 106 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.264 106 G C -0.071 174.515 174.900 -0.524 0.000 0.975 106 G CA -0.032 44.908 45.100 -0.267 0.000 0.642 106 G HN 0.535 nan 8.290 nan 0.000 0.536 107 V N 1.140 120.742 119.914 -0.520 0.000 2.407 107 V HA 0.587 4.706 4.120 -0.002 0.000 0.291 107 V C -0.419 175.447 176.094 -0.380 0.000 1.018 107 V CA -1.282 60.757 62.300 -0.436 0.000 0.842 107 V CB 1.074 32.766 31.823 -0.219 0.000 0.996 107 V HN 0.236 nan 8.190 nan 0.000 0.426 108 Y N 1.700 122.043 120.300 0.073 0.000 2.323 108 Y HA 0.436 4.985 4.550 -0.002 0.000 0.331 108 Y C 0.541 176.492 175.900 0.085 0.000 1.092 108 Y CA -1.386 56.772 58.100 0.097 0.000 1.150 108 Y CB 0.724 39.242 38.460 0.097 0.000 1.200 108 Y HN 0.540 nan 8.280 nan 0.000 0.472 109 D N 2.696 123.257 120.400 0.269 0.000 2.422 109 D HA 0.053 4.692 4.640 -0.002 0.000 0.227 109 D C 0.504 176.933 176.300 0.215 0.000 1.190 109 D CA 0.036 54.157 54.000 0.201 0.000 0.905 109 D CB 0.764 41.674 40.800 0.183 0.000 1.034 109 D HN 0.531 nan 8.370 nan 0.000 0.507 110 Q N 2.212 122.100 119.800 0.146 0.000 2.297 110 Q HA -0.127 4.212 4.340 -0.002 0.000 0.204 110 Q C 1.458 177.499 176.000 0.068 0.000 0.962 110 Q CA 0.611 56.470 55.803 0.094 0.000 0.879 110 Q CB 0.138 28.913 28.738 0.062 0.000 0.947 110 Q HN 0.679 nan 8.270 nan 0.000 0.462 111 Q N -0.452 119.402 119.800 0.091 0.000 2.123 111 Q HA -0.165 4.174 4.340 -0.002 0.000 0.199 111 Q C 1.769 177.839 176.000 0.116 0.000 0.966 111 Q CA 0.804 56.655 55.803 0.080 0.000 0.845 111 Q CB 0.002 28.788 28.738 0.079 0.000 0.907 111 Q HN 0.347 nan 8.270 nan 0.000 0.439 112 Y N 0.971 121.299 120.300 0.046 0.000 2.145 112 Y HA -0.199 4.349 4.550 -0.002 0.000 0.286 112 Y C 1.683 177.627 175.900 0.073 0.000 1.145 112 Y CA 1.550 59.684 58.100 0.057 0.000 1.148 112 Y CB -0.381 38.118 38.460 0.065 0.000 0.981 112 Y HN 0.084 nan 8.280 nan 0.000 0.507 113 L N -0.019 121.140 121.223 -0.107 0.000 2.131 113 L HA -0.219 4.120 4.340 -0.002 0.000 0.210 113 L C 2.023 178.814 176.870 -0.133 0.000 1.092 113 L CA 1.401 56.148 54.840 -0.155 0.000 0.759 113 L CB -0.639 41.396 42.059 -0.039 0.000 0.903 113 L HN 0.201 nan 8.230 nan 0.000 0.435 114 D N 0.157 120.501 120.400 -0.093 0.000 2.117 114 D HA -0.147 4.492 4.640 -0.002 0.000 0.197 114 D C 2.349 178.592 176.300 -0.094 0.000 0.987 114 D CA 1.115 55.065 54.000 -0.083 0.000 0.829 114 D CB -0.105 40.671 40.800 -0.039 0.000 0.961 114 D HN 0.255 nan 8.370 nan 0.000 0.460 115 R N 0.346 120.789 120.500 -0.095 0.000 2.096 115 R HA -0.056 4.283 4.340 -0.002 0.000 0.235 115 R C 2.387 178.574 176.300 -0.189 0.000 1.127 115 R CA 0.623 56.660 56.100 -0.105 0.000 0.968 115 R CB -0.350 29.939 30.300 -0.019 0.000 0.861 115 R HN 0.110 nan 8.270 nan 0.000 0.440 116 V N 1.065 120.834 119.914 -0.242 0.000 2.343 116 V HA -0.244 3.875 4.120 -0.002 0.000 0.247 116 V C 2.253 178.257 176.094 -0.150 0.000 1.051 116 V CA 1.897 64.059 62.300 -0.230 0.000 1.036 116 V CB -0.480 31.218 31.823 -0.209 0.000 0.654 116 V HN 0.372 nan 8.190 nan 0.000 0.451 117 E N 0.073 120.294 120.200 0.034 0.000 2.077 117 E HA -0.295 4.054 4.350 -0.002 0.000 0.193 117 E C 1.979 178.507 176.600 -0.119 0.000 0.989 117 E CA 1.520 57.958 56.400 0.064 0.000 0.800 117 E CB -0.137 29.520 29.700 -0.071 0.000 0.746 117 E HN 0.673 nan 8.360 nan 0.000 0.452 118 D N -0.093 120.186 120.400 -0.201 0.000 2.116 118 D HA -0.197 4.442 4.640 -0.002 0.000 0.193 118 D C 1.972 177.838 176.300 -0.723 0.000 0.998 118 D CA 1.324 55.144 54.000 -0.299 0.000 0.836 118 D CB 0.082 40.749 40.800 -0.221 0.000 0.951 118 D HN -0.035 nan 8.370 nan 0.000 0.449 119 R N -0.308 119.667 120.500 -0.876 0.000 2.081 119 R HA 0.007 4.346 4.340 -0.002 0.000 0.235 119 R C 2.446 178.399 176.300 -0.578 0.000 1.131 119 R CA 0.664 56.044 56.100 -1.200 0.000 0.960 119 R CB -0.842 28.938 30.300 -0.867 0.000 0.856 119 R HN 0.151 nan 8.270 nan 0.000 0.436 120 V N -0.059 119.616 119.914 -0.399 0.000 2.490 120 V HA -0.160 3.959 4.120 -0.002 0.000 0.250 120 V C 2.210 178.322 176.094 0.030 0.000 1.061 120 V CA 2.061 64.283 62.300 -0.129 0.000 1.064 120 V CB -1.010 30.749 31.823 -0.108 0.000 0.670 120 V HN 0.544 nan 8.190 nan 0.000 0.461 121 G N -0.898 107.880 108.800 -0.036 0.000 2.432 121 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.219 121 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.219 121 G C 1.220 176.222 174.900 0.170 0.000 1.135 121 G CA 0.690 45.826 45.100 0.060 0.000 0.767 121 G HN 0.532 nan 8.290 nan 0.000 0.550 122 W N 0.241 121.511 121.300 -0.050 0.000 2.358 122 W HA 0.039 4.697 4.660 -0.002 0.000 0.303 122 W C 2.232 178.627 176.519 -0.207 0.000 1.208 122 W CA 0.305 57.553 57.345 -0.162 0.000 1.274 122 W CB -1.434 27.860 29.460 -0.278 0.000 1.138 122 W HN 0.283 nan 8.180 nan 0.000 0.515 123 Y N 0.459 120.846 120.300 0.146 0.000 2.163 123 Y HA -0.087 4.462 4.550 -0.002 0.000 0.288 123 Y C 2.699 178.716 175.900 0.194 0.000 1.136 123 Y CA 1.990 60.124 58.100 0.058 0.000 1.147 123 Y CB -1.414 37.017 38.460 -0.049 0.000 0.987 123 Y HN -0.101 nan 8.280 nan 0.000 0.509 124 A N 0.075 123.061 122.820 0.277 0.000 1.908 124 A HA -0.288 4.031 4.320 -0.002 0.000 0.218 124 A C 2.157 179.833 177.584 0.153 0.000 1.181 124 A CA 2.002 54.158 52.037 0.200 0.000 0.627 124 A CB -0.820 18.267 19.000 0.145 0.000 0.818 124 A HN 0.547 nan 8.150 nan 0.000 0.445 125 E N -0.456 119.822 120.200 0.130 0.000 2.153 125 E HA -0.164 4.185 4.350 -0.002 0.000 0.194 125 E C 1.543 178.167 176.600 0.040 0.000 0.988 125 E CA 0.929 57.374 56.400 0.075 0.000 0.811 125 E CB -0.017 29.721 29.700 0.064 0.000 0.746 125 E HN 0.583 nan 8.360 nan 0.000 0.466 126 R N -1.292 119.257 120.500 0.081 0.000 2.466 126 R HA 0.170 4.509 4.340 -0.002 0.000 0.279 126 R C 0.705 176.970 176.300 -0.058 0.000 0.976 126 R CA 0.459 56.537 56.100 -0.037 0.000 1.081 126 R CB 0.931 31.231 30.300 -0.001 0.000 1.215 126 R HN 0.257 nan 8.270 nan 0.000 0.546 127 G N 0.238 109.077 108.800 0.064 0.000 2.143 127 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.249 127 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.249 127 G C -0.226 174.718 174.900 0.073 0.000 0.981 127 G CA -0.192 44.924 45.100 0.026 0.000 0.665 127 G HN 0.273 nan 8.290 nan 0.000 0.528 128 Y N 0.691 121.083 120.300 0.152 0.000 2.326 128 Y HA 0.533 5.082 4.550 -0.001 0.000 0.333 128 Y C 1.066 177.081 175.900 0.191 0.000 1.240 128 Y CA -0.105 58.137 58.100 0.236 0.000 1.365 128 Y CB 0.730 39.419 38.460 0.382 0.000 1.289 128 Y HN -0.086 nan 8.280 nan 0.000 0.548 129 K N 1.827 122.450 120.400 0.370 0.000 2.138 129 K HA 0.565 4.884 4.320 -0.002 0.000 0.263 129 K C -1.139 175.631 176.600 0.284 0.000 0.965 129 K CA -0.722 55.744 56.287 0.299 0.000 0.868 129 K CB 1.992 34.657 32.500 0.275 0.000 1.083 129 K HN 0.353 nan 8.250 nan 0.000 0.443 130 V N 3.271 123.260 119.914 0.125 0.000 2.495 130 V HA 0.430 4.549 4.120 -0.002 0.000 0.298 130 V C -0.188 175.917 176.094 0.018 0.000 1.031 130 V CA -0.883 61.370 62.300 -0.078 0.000 0.871 130 V CB 1.769 33.473 31.823 -0.198 0.000 0.988 130 V HN 0.733 nan 8.190 nan 0.000 0.432 131 M N 5.624 125.193 119.600 -0.052 0.000 2.205 131 M HA 0.559 5.038 4.480 -0.002 0.000 0.344 131 M C -1.426 174.938 176.300 0.106 0.000 1.085 131 M CA -0.509 54.855 55.300 0.107 0.000 1.001 131 M CB 1.083 33.838 32.600 0.257 0.000 1.626 131 M HN 0.523 nan 8.290 nan 0.000 0.442 132 L N 4.321 125.685 121.223 0.235 0.000 2.265 132 L HA 0.311 4.650 4.340 -0.002 0.000 0.288 132 L C -0.527 176.619 176.870 0.460 0.000 1.058 132 L CA -0.494 54.533 54.840 0.311 0.000 0.809 132 L CB 0.773 43.018 42.059 0.310 0.000 1.179 132 L HN 0.647 nan 8.230 nan 0.000 0.429 133 D N 4.848 125.459 120.400 0.351 0.000 2.412 133 D HA 0.188 4.827 4.640 -0.002 0.000 0.224 133 D C -0.227 176.285 176.300 0.352 0.000 1.093 133 D CA -0.569 53.668 54.000 0.396 0.000 0.850 133 D CB 1.273 42.285 40.800 0.353 0.000 1.046 133 D HN 0.256 nan 8.370 nan 0.000 0.507 134 M N 4.677 124.528 119.600 0.419 0.000 2.685 134 M HA 0.152 4.631 4.480 -0.002 0.000 0.316 134 M C -1.099 175.377 176.300 0.293 0.000 1.523 134 M CA 0.005 55.434 55.300 0.215 0.000 1.472 134 M CB -0.394 32.272 32.600 0.110 0.000 1.525 134 M HN 0.407 nan 8.290 nan 0.000 0.471 135 H N 3.039 122.200 119.070 0.151 0.000 2.502 135 H HA 0.585 5.140 4.556 -0.002 0.000 0.327 135 H C -0.835 174.552 175.328 0.098 0.000 1.099 135 H CA -0.179 55.958 56.048 0.149 0.000 1.323 135 H CB 0.757 30.590 29.762 0.118 0.000 1.450 135 H HN 0.689 nan 8.280 nan 0.000 0.502 136 Q N 2.661 122.377 119.800 -0.141 0.000 2.416 136 Q HA 0.446 4.785 4.340 -0.002 0.000 0.281 136 Q C -1.921 174.025 176.000 -0.089 0.000 1.067 136 Q CA -0.957 54.815 55.803 -0.051 0.000 0.809 136 Q CB 2.189 30.898 28.738 -0.049 0.000 1.418 136 Q HN 0.530 nan 8.270 nan 0.000 0.411 137 D N 1.301 121.702 120.400 0.002 0.000 2.896 137 D HA 0.349 4.988 4.640 -0.002 0.000 0.241 137 D C -0.456 175.805 176.300 -0.065 0.000 1.188 137 D CA -0.530 53.498 54.000 0.045 0.000 0.879 137 D CB 2.293 43.052 40.800 -0.069 0.000 1.553 137 D HN 0.655 nan 8.370 nan 0.000 0.515 138 V N 2.368 122.152 119.914 -0.217 0.000 5.487 138 V HA -0.386 3.733 4.120 -0.002 0.000 0.302 138 V C 0.880 176.993 176.094 0.031 0.000 0.511 138 V CA 1.395 63.479 62.300 -0.359 0.000 0.684 138 V CB -3.001 28.591 31.823 -0.386 0.000 0.458 138 V HN 0.954 nan 8.190 nan 0.000 1.195 139 Y N -1.305 118.982 120.300 -0.021 0.000 2.769 139 Y HA -0.424 4.125 4.550 -0.002 0.000 0.487 139 Y C 0.944 176.676 175.900 -0.280 0.000 1.131 139 Y CA 3.012 60.876 58.100 -0.393 0.000 2.888 139 Y CB -1.051 36.882 38.460 -0.879 0.000 0.920 139 Y HN 1.496 nan 8.280 nan 0.000 0.553 140 S N -1.564 114.029 115.700 -0.179 0.000 2.578 140 S HA 0.519 4.988 4.470 -0.002 0.000 0.272 140 S C 0.466 174.966 174.600 -0.167 0.000 1.145 140 S CA -0.147 57.915 58.200 -0.230 0.000 0.835 140 S CB 0.810 63.879 63.200 -0.217 0.000 1.104 140 S HN 0.993 nan 8.310 nan 0.000 0.458 141 G N 1.113 109.803 108.800 -0.183 0.000 2.534 141 G HA2 0.174 4.133 3.960 -0.002 0.000 0.217 141 G HA3 0.174 4.133 3.960 -0.002 0.000 0.217 141 G C 1.254 176.070 174.900 -0.141 0.000 1.128 141 G CA 0.815 45.818 45.100 -0.162 0.000 0.784 141 G HN 1.145 nan 8.290 nan 0.000 0.542 142 A N 1.058 123.791 122.820 -0.145 0.000 2.235 142 A HA 0.189 4.508 4.320 -0.002 0.000 0.208 142 A C 2.198 179.727 177.584 -0.092 0.000 1.172 142 A CA 0.822 52.783 52.037 -0.127 0.000 0.786 142 A CB -0.448 18.455 19.000 -0.162 0.000 0.804 142 A HN 0.689 nan 8.150 nan 0.000 0.479 143 I N -2.179 118.345 120.570 -0.076 0.000 2.830 143 I HA 0.018 4.187 4.170 -0.002 0.000 0.263 143 I C 0.806 176.914 176.117 -0.014 0.000 1.230 143 I CA 1.107 62.385 61.300 -0.037 0.000 1.480 143 I CB -0.531 37.461 38.000 -0.014 0.000 1.095 143 I HN 0.255 nan 8.210 nan 0.000 0.455 144 T N -1.496 113.034 114.554 -0.040 0.000 2.901 144 T HA 0.706 5.055 4.350 -0.002 0.000 0.293 144 T C -2.513 172.162 174.700 -0.041 0.000 1.084 144 T CA -1.503 60.585 62.100 -0.020 0.000 1.008 144 T CB 1.546 70.407 68.868 -0.012 0.000 1.170 144 T HN -0.088 nan 8.240 nan 0.000 0.509 157 G N 1.689 110.329 108.800 -0.268 0.000 2.557 157 G HA2 0.561 4.520 3.960 -0.002 0.000 0.302 157 G HA3 0.561 4.520 3.960 -0.002 0.000 0.302 157 G C -0.767 174.019 174.900 -0.191 0.000 1.311 157 G CA 0.033 45.001 45.100 -0.220 0.000 1.030 157 G HN 0.562 nan 8.290 nan 0.000 0.509 158 N N -3.099 115.505 118.700 -0.159 0.000 2.745 158 N HA 0.591 5.330 4.740 -0.002 0.000 0.256 158 N C 0.090 175.521 175.510 -0.132 0.000 1.268 158 N CA 0.186 53.155 53.050 -0.135 0.000 0.887 158 N CB 1.527 39.960 38.487 -0.090 0.000 1.575 158 N HN 1.416 nan 8.380 nan 0.000 0.496 159 G N -0.011 108.697 108.800 -0.153 0.000 2.169 159 G HA2 0.299 4.258 3.960 -0.002 0.000 0.173 159 G HA3 0.299 4.258 3.960 -0.002 0.000 0.173 159 G C -0.384 174.386 174.900 -0.217 0.000 2.429 159 G CA 0.144 45.163 45.100 -0.135 0.000 1.467 159 G HN 1.241 nan 8.290 nan 0.000 0.454 160 A N 3.252 125.804 122.820 -0.447 0.000 2.407 160 A HA 0.700 5.019 4.320 -0.002 0.000 0.248 160 A C -1.762 175.390 177.584 -0.719 0.000 1.082 160 A CA -0.344 51.303 52.037 -0.649 0.000 0.785 160 A CB 0.069 18.421 19.000 -1.082 0.000 1.020 160 A HN 0.436 nan 8.150 nan 0.000 0.489 161 P HA 0.183 nan 4.420 nan 0.000 0.272 161 P C 0.783 177.602 177.300 -0.801 0.000 1.230 161 P CA 0.476 63.054 63.100 -0.870 0.000 0.788 161 P CB 0.893 31.905 31.700 -1.148 0.000 0.949 162 A N 3.504 126.040 122.820 -0.474 0.000 1.927 162 A HA -0.184 4.135 4.320 -0.002 0.000 0.220 162 A C 2.004 179.360 177.584 -0.379 0.000 1.185 162 A CA 1.928 53.762 52.037 -0.338 0.000 0.639 162 A CB -1.883 17.005 19.000 -0.188 0.000 0.820 162 A HN 0.845 nan 8.150 nan 0.000 0.451 163 W N -1.204 119.894 121.300 -0.337 0.000 2.465 163 W HA 0.176 4.835 4.660 -0.002 0.000 0.268 163 W C 1.536 177.783 176.519 -0.453 0.000 1.242 163 W CA 0.857 57.982 57.345 -0.366 0.000 1.248 163 W CB -0.673 28.622 29.460 -0.275 0.000 1.118 163 W HN 0.405 nan 8.180 nan 0.000 0.587 164 A N 1.065 123.203 122.820 -1.136 0.000 2.251 164 A HA 0.144 4.463 4.320 -0.002 0.000 0.209 164 A C 0.656 178.024 177.584 -0.359 0.000 1.187 164 A CA 0.569 52.061 52.037 -0.909 0.000 0.823 164 A CB -0.622 17.409 19.000 -1.615 0.000 0.846 164 A HN 0.077 nan 8.150 nan 0.000 0.486 165 T N 0.564 114.845 114.554 -0.455 0.000 2.753 165 T HA 0.472 4.821 4.350 -0.002 0.000 0.297 165 T C -1.228 173.200 174.700 -0.452 0.000 0.981 165 T CA 0.167 62.109 62.100 -0.263 0.000 0.956 165 T CB -0.095 68.667 68.868 -0.177 0.000 0.936 165 T HN 0.235 nan 8.240 nan 0.000 0.463 166 Y N 2.894 123.056 120.300 -0.231 0.000 2.555 166 Y HA 0.349 4.898 4.550 -0.001 0.000 0.326 166 Y C 1.137 176.963 175.900 -0.124 0.000 0.984 166 Y CA -0.774 57.225 58.100 -0.167 0.000 1.298 166 Y CB 0.839 39.150 38.460 -0.248 0.000 1.094 166 Y HN 0.593 nan 8.280 nan 0.000 0.500 167 M N 0.560 120.173 119.600 0.022 0.000 2.502 167 M HA 0.022 4.501 4.480 -0.002 0.000 0.243 167 M C -0.106 176.229 176.300 0.059 0.000 1.130 167 M CA 0.446 55.759 55.300 0.021 0.000 1.055 167 M CB 0.252 32.849 32.600 -0.004 0.000 1.457 167 M HN 0.534 nan 8.290 nan 0.000 0.488 168 D N 1.125 121.581 120.400 0.093 0.000 2.751 168 D HA -0.179 4.460 4.640 -0.002 0.000 0.233 168 D C 1.048 177.385 176.300 0.061 0.000 1.149 168 D CA 1.325 55.382 54.000 0.095 0.000 0.682 168 D CB -1.829 39.031 40.800 0.100 0.000 1.068 168 D HN 0.710 nan 8.370 nan 0.000 0.429 169 G N -1.311 107.517 108.800 0.046 0.000 2.189 169 G HA2 -0.351 3.608 3.960 -0.002 0.000 0.267 169 G HA3 -0.351 3.608 3.960 -0.002 0.000 0.267 169 G C 0.408 175.326 174.900 0.031 0.000 0.975 169 G CA 0.502 45.622 45.100 0.034 0.000 0.644 169 G HN 0.518 nan 8.290 nan 0.000 0.537 170 L N 2.302 123.546 121.223 0.036 0.000 2.397 170 L HA 0.378 4.717 4.340 -0.002 0.000 0.271 170 L C -1.096 175.794 176.870 0.033 0.000 1.148 170 L CA -1.920 52.941 54.840 0.035 0.000 0.825 170 L CB 0.557 42.642 42.059 0.044 0.000 1.117 170 L HN -0.004 nan 8.230 nan 0.000 0.456 171 P HA 0.055 nan 4.420 nan 0.000 0.272 171 P C -0.813 176.508 177.300 0.035 0.000 1.223 171 P CA -0.157 62.959 63.100 0.026 0.000 0.784 171 P CB 1.173 32.883 31.700 0.016 0.000 0.923 172 V N 2.101 122.041 119.914 0.043 0.000 2.467 172 V HA 0.146 4.265 4.120 -0.002 0.000 0.260 172 V C 0.424 176.554 176.094 0.059 0.000 0.963 172 V CA -0.455 61.886 62.300 0.068 0.000 0.856 172 V CB 0.182 32.079 31.823 0.124 0.000 1.087 172 V HN 0.497 nan 8.190 nan 0.000 0.467 173 E N 3.320 123.516 120.200 -0.008 0.000 2.392 173 E HA 0.290 4.639 4.350 -0.002 0.000 0.259 173 E C -2.442 174.110 176.600 -0.080 0.000 1.108 173 E CA -1.790 54.597 56.400 -0.022 0.000 0.916 173 E CB 0.471 30.148 29.700 -0.039 0.000 0.989 173 E HN 0.320 nan 8.360 nan 0.000 0.432 174 P HA -0.039 nan 4.420 nan 0.000 0.265 174 P C -0.837 176.357 177.300 -0.177 0.000 1.193 174 P CA 0.398 63.498 63.100 -0.000 0.000 0.765 174 P CB 0.520 32.257 31.700 0.062 0.000 0.823 175 Q N 3.421 123.031 119.800 -0.317 0.000 2.399 175 Q HA 0.316 4.655 4.340 -0.002 0.000 0.276 175 Q C -1.618 174.361 176.000 -0.036 0.000 1.098 175 Q CA -1.861 53.769 55.803 -0.289 0.000 0.827 175 Q CB 0.824 29.207 28.738 -0.591 0.000 1.386 175 Q HN 0.308 nan 8.270 nan 0.000 0.443 176 P HA 0.015 nan 4.420 nan 0.000 0.229 176 P C -0.349 176.989 177.300 0.063 0.000 1.160 176 P CA 0.754 63.871 63.100 0.028 0.000 0.777 176 P CB 0.839 32.540 31.700 0.000 0.000 0.814 177 R N -0.563 119.971 120.500 0.057 0.000 2.673 177 R HA 0.197 4.536 4.340 -0.002 0.000 0.281 177 R C 1.148 177.544 176.300 0.160 0.000 0.991 177 R CA -0.808 55.331 56.100 0.065 0.000 0.896 177 R CB 1.144 31.409 30.300 -0.058 0.000 1.201 177 R HN 0.075 nan 8.270 nan 0.000 0.457 178 W N 2.588 123.983 121.300 0.159 0.000 2.374 178 W HA -0.120 4.539 4.660 -0.001 0.000 0.288 178 W C 0.178 176.816 176.519 0.197 0.000 1.218 178 W CA 1.123 58.582 57.345 0.190 0.000 1.245 178 W CB -0.153 29.296 29.460 -0.018 0.000 1.126 178 W HN 0.595 nan 8.180 nan 0.000 0.545 179 E N 1.460 121.201 120.200 -0.765 0.000 2.209 179 E HA -0.150 4.199 4.350 -0.002 0.000 0.196 179 E C 2.255 178.758 176.600 -0.161 0.000 0.993 179 E CA 1.724 57.685 56.400 -0.731 0.000 0.819 179 E CB -0.753 28.454 29.700 -0.821 0.000 0.745 179 E HN 0.329 nan 8.360 nan 0.000 0.477 180 L N -0.492 120.676 121.223 -0.092 0.000 2.376 180 L HA -0.116 4.223 4.340 -0.002 0.000 0.219 180 L C 1.508 178.356 176.870 -0.037 0.000 1.133 180 L CA 0.623 55.421 54.840 -0.071 0.000 0.816 180 L CB -0.256 41.728 42.059 -0.125 0.000 0.933 180 L HN 0.209 nan 8.230 nan 0.000 0.449 181 Y N -1.668 118.620 120.300 -0.020 0.000 2.333 181 Y HA -0.249 4.301 4.550 -0.002 0.000 0.290 181 Y C 2.283 178.172 175.900 -0.018 0.000 1.144 181 Y CA 1.186 59.280 58.100 -0.010 0.000 1.228 181 Y CB -0.547 37.910 38.460 -0.005 0.000 0.985 181 Y HN 0.043 nan 8.280 nan 0.000 0.542 182 Y N 0.166 120.492 120.300 0.042 0.000 2.181 182 Y HA -0.264 4.285 4.550 -0.001 0.000 0.284 182 Y C 2.096 177.954 175.900 -0.070 0.000 1.179 182 Y CA 1.768 59.756 58.100 -0.186 0.000 1.179 182 Y CB -0.552 37.532 38.460 -0.628 0.000 0.973 182 Y HN 0.243 nan 8.280 nan 0.000 0.519 183 I N -2.313 118.341 120.570 0.140 0.000 3.928 183 I HA 0.182 4.351 4.170 -0.002 0.000 0.335 183 I C 0.008 176.185 176.117 0.100 0.000 1.325 183 I CA -0.302 61.085 61.300 0.146 0.000 1.107 183 I CB -0.123 37.932 38.000 0.092 0.000 1.014 183 I HN -0.158 nan 8.210 nan 0.000 0.400 184 Q N 2.226 122.077 119.800 0.084 0.000 2.373 184 Q HA 0.213 4.552 4.340 -0.002 0.000 0.255 184 Q C -1.572 174.482 176.000 0.090 0.000 0.980 184 Q CA -1.912 53.923 55.803 0.052 0.000 0.882 184 Q CB 0.616 29.369 28.738 0.024 0.000 1.249 184 Q HN 0.062 nan 8.270 nan 0.000 0.438 185 P HA -0.179 nan 4.420 nan 0.000 0.216 185 P C 1.091 178.441 177.300 0.083 0.000 1.153 185 P CA 1.911 65.053 63.100 0.070 0.000 0.858 185 P CB 0.154 31.881 31.700 0.046 0.000 0.789 186 G N -0.593 108.250 108.800 0.073 0.000 2.418 186 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.217 186 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.217 186 G C 1.616 176.560 174.900 0.074 0.000 1.158 186 G CA 0.727 45.865 45.100 0.062 0.000 0.771 186 G HN 0.169 nan 8.290 nan 0.000 0.545 187 V N 1.287 121.278 119.914 0.128 0.000 2.307 187 V HA -0.146 3.973 4.120 -0.002 0.000 0.245 187 V C 2.963 179.269 176.094 0.354 0.000 1.045 187 V CA 1.658 64.080 62.300 0.204 0.000 1.024 187 V CB -0.368 31.610 31.823 0.257 0.000 0.651 187 V HN 0.265 nan 8.190 nan 0.000 0.449 188 M N -0.189 119.608 119.600 0.329 0.000 2.106 188 M HA -0.219 4.260 4.480 -0.002 0.000 0.259 188 M C 2.363 178.812 176.300 0.248 0.000 1.068 188 M CA 1.951 57.454 55.300 0.337 0.000 1.100 188 M CB -1.268 31.462 32.600 0.217 0.000 1.351 188 M HN 0.282 nan 8.290 nan 0.000 0.404 189 R N 0.833 121.422 120.500 0.149 0.000 2.073 189 R HA -0.014 4.325 4.340 -0.002 0.000 0.234 189 R C 2.150 178.470 176.300 0.034 0.000 1.134 189 R CA 2.105 58.262 56.100 0.096 0.000 0.952 189 R CB -1.033 29.310 30.300 0.072 0.000 0.850 189 R HN 0.330 nan 8.270 nan 0.000 0.433 190 A N -0.285 122.488 122.820 -0.078 0.000 1.892 190 A HA -0.163 4.156 4.320 -0.002 0.000 0.218 190 A C 2.188 179.425 177.584 -0.579 0.000 1.188 190 A CA 1.763 53.548 52.037 -0.419 0.000 0.631 190 A CB -0.921 17.679 19.000 -0.667 0.000 0.822 190 A HN 0.390 nan 8.150 nan 0.000 0.447 191 F N 0.454 120.257 119.950 -0.244 0.000 2.102 191 F HA -0.154 4.372 4.527 -0.001 0.000 0.298 191 F C 2.164 178.075 175.800 0.186 0.000 1.105 191 F CA 1.807 59.815 58.000 0.015 0.000 1.239 191 F CB -0.446 38.731 39.000 0.296 0.000 0.991 191 F HN 0.194 nan 8.300 nan 0.000 0.474 192 D N -0.212 120.390 120.400 0.337 0.000 2.149 192 D HA -0.163 4.476 4.640 -0.002 0.000 0.198 192 D C 1.947 178.375 176.300 0.213 0.000 0.990 192 D CA 0.990 55.152 54.000 0.270 0.000 0.839 192 D CB -0.453 40.447 40.800 0.167 0.000 0.948 192 D HN 0.195 nan 8.370 nan 0.000 0.460 193 N N -0.103 118.676 118.700 0.132 0.000 2.171 193 N HA -0.116 4.623 4.740 -0.002 0.000 0.184 193 N C 1.685 177.250 175.510 0.092 0.000 1.021 193 N CA 0.291 53.409 53.050 0.112 0.000 0.854 193 N CB -0.512 38.000 38.487 0.041 0.000 0.994 193 N HN 0.181 nan 8.380 nan 0.000 0.426 194 F N 0.364 120.251 119.950 -0.105 0.000 2.095 194 F HA -0.177 4.349 4.527 -0.002 0.000 0.298 194 F C 1.541 177.250 175.800 -0.151 0.000 1.104 194 F CA 1.548 59.457 58.000 -0.152 0.000 1.232 194 F CB -0.500 38.337 39.000 -0.271 0.000 0.987 194 F HN 0.057 nan 8.300 nan 0.000 0.475 195 W N 0.266 121.673 121.300 0.178 0.000 3.077 195 W HA 0.064 4.723 4.660 -0.001 0.000 0.245 195 W C 0.995 177.521 176.519 0.013 0.000 1.316 195 W CA 0.449 57.841 57.345 0.078 0.000 1.537 195 W CB -0.703 28.896 29.460 0.231 0.000 1.131 195 W HN 0.119 nan 8.180 nan 0.000 0.695 196 N N -0.239 118.562 118.700 0.169 0.000 2.725 196 N HA -0.220 4.519 4.740 -0.002 0.000 0.249 196 N C 0.605 176.195 175.510 0.134 0.000 1.103 196 N CA 1.519 54.643 53.050 0.123 0.000 0.707 196 N CB -1.292 37.237 38.487 0.072 0.000 1.043 196 N HN 0.041 nan 8.380 nan 0.000 0.553 197 T N -2.053 112.609 114.554 0.180 0.000 2.833 197 T HA -0.154 4.195 4.350 -0.002 0.000 0.269 197 T C 1.815 176.566 174.700 0.085 0.000 1.054 197 T CA 1.954 64.131 62.100 0.129 0.000 1.135 197 T CB -0.403 68.549 68.868 0.140 0.000 0.869 197 T HN 0.678 nan 8.240 nan 0.000 0.466 198 T N -1.102 113.505 114.554 0.088 0.000 3.055 198 T HA 0.298 4.647 4.350 -0.002 0.000 0.265 198 T C 2.011 176.725 174.700 0.024 0.000 1.111 198 T CA 0.942 63.075 62.100 0.056 0.000 1.118 198 T CB -0.390 68.518 68.868 0.067 0.000 0.909 198 T HN 0.508 nan 8.240 nan 0.000 0.501 199 G N 1.762 110.577 108.800 0.025 0.000 2.184 199 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.264 199 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.264 199 G C 0.892 175.757 174.900 -0.058 0.000 0.975 199 G CA 0.583 45.680 45.100 -0.005 0.000 0.642 199 G HN 0.581 nan 8.290 nan 0.000 0.536 200 K N -0.360 119.980 120.400 -0.100 0.000 2.356 200 K HA 0.122 4.441 4.320 -0.002 0.000 0.195 200 K C 0.329 176.572 176.600 -0.595 0.000 1.037 200 K CA 0.426 56.529 56.287 -0.306 0.000 1.014 200 K CB 0.293 32.598 32.500 -0.325 0.000 0.815 200 K HN 0.539 nan 8.250 nan 0.000 0.507 201 H N 0.543 119.558 119.070 -0.092 0.000 2.511 201 H HA 0.137 4.692 4.556 -0.002 0.000 0.228 201 H C -2.139 173.169 175.328 -0.034 0.000 1.424 201 H CA -1.517 54.473 56.048 -0.098 0.000 1.321 201 H CB 1.085 30.741 29.762 -0.176 0.000 1.720 201 H HN 0.007 nan 8.280 nan 0.000 0.512 202 P HA -0.136 nan 4.420 nan 0.000 0.230 202 P C 1.419 178.774 177.300 0.091 0.000 1.158 202 P CA 0.888 64.019 63.100 0.052 0.000 0.769 202 P CB 0.456 32.176 31.700 0.034 0.000 0.807 203 E N 0.764 121.060 120.200 0.159 0.000 2.216 203 E HA -0.091 4.258 4.350 -0.002 0.000 0.192 203 E C 1.983 178.808 176.600 0.376 0.000 0.988 203 E CA 0.550 57.112 56.400 0.270 0.000 0.834 203 E CB -1.157 28.753 29.700 0.350 0.000 0.772 203 E HN 0.266 nan 8.360 nan 0.000 0.479 204 L N 0.839 122.222 121.223 0.267 0.000 2.017 204 L HA -0.144 4.195 4.340 -0.002 0.000 0.208 204 L C 2.748 179.705 176.870 0.145 0.000 1.073 204 L CA 1.074 56.099 54.840 0.309 0.000 0.745 204 L CB -0.390 41.776 42.059 0.178 0.000 0.894 204 L HN -0.000 nan 8.230 nan 0.000 0.432 205 V N -0.124 119.658 119.914 -0.220 0.000 2.490 205 V HA -0.269 3.850 4.120 -0.002 0.000 0.250 205 V C 2.332 178.496 176.094 0.116 0.000 1.061 205 V CA 1.705 63.880 62.300 -0.208 0.000 1.064 205 V CB -0.484 31.208 31.823 -0.219 0.000 0.670 205 V HN 0.478 nan 8.190 nan 0.000 0.461 206 E N -1.081 119.219 120.200 0.166 0.000 2.047 206 E HA -0.200 4.149 4.350 -0.002 0.000 0.191 206 E C 2.237 178.988 176.600 0.251 0.000 0.987 206 E CA 1.280 57.788 56.400 0.180 0.000 0.799 206 E CB -0.249 29.531 29.700 0.133 0.000 0.752 206 E HN 0.675 nan 8.360 nan 0.000 0.449 207 H N -0.443 118.846 119.070 0.365 0.000 2.319 207 H HA -0.194 4.361 4.556 -0.002 0.000 0.297 207 H C 2.123 177.723 175.328 0.454 0.000 1.097 207 H CA 1.837 58.214 56.048 0.548 0.000 1.285 207 H CB -0.345 29.968 29.762 0.918 0.000 1.368 207 H HN 0.238 nan 8.280 nan 0.000 0.495 208 Y N 1.066 121.483 120.300 0.196 0.000 2.128 208 Y HA -0.261 4.288 4.550 -0.002 0.000 0.284 208 Y C 2.738 178.625 175.900 -0.020 0.000 1.154 208 Y CA 1.631 59.523 58.100 -0.346 0.000 1.149 208 Y CB -0.441 37.799 38.460 -0.367 0.000 0.976 208 Y HN 0.175 nan 8.280 nan 0.000 0.505 209 A N -0.157 122.806 122.820 0.238 0.000 1.933 209 A HA -0.175 4.144 4.320 -0.002 0.000 0.218 209 A C 2.138 179.812 177.584 0.150 0.000 1.175 209 A CA 1.887 54.053 52.037 0.214 0.000 0.628 209 A CB -0.453 18.668 19.000 0.201 0.000 0.814 209 A HN 0.527 nan 8.150 nan 0.000 0.444 210 K N -0.465 120.027 120.400 0.153 0.000 2.243 210 K HA 0.186 4.505 4.320 -0.002 0.000 0.201 210 K C 2.187 178.816 176.600 0.048 0.000 1.051 210 K CA 0.683 57.051 56.287 0.135 0.000 0.970 210 K CB -0.152 32.467 32.500 0.198 0.000 0.755 210 K HN 0.403 nan 8.250 nan 0.000 0.465 211 A N 0.729 123.607 122.820 0.097 0.000 1.898 211 A HA -0.155 4.164 4.320 -0.002 0.000 0.216 211 A C 1.790 179.211 177.584 -0.272 0.000 1.181 211 A CA 0.968 52.971 52.037 -0.057 0.000 0.620 211 A CB -0.771 18.285 19.000 0.093 0.000 0.819 211 A HN 0.445 nan 8.150 nan 0.000 0.442 212 W N -0.267 120.865 121.300 -0.280 0.000 2.355 212 W HA -0.126 4.534 4.660 -0.001 0.000 0.309 212 W C 2.632 178.997 176.519 -0.257 0.000 1.206 212 W CA 1.515 58.685 57.345 -0.292 0.000 1.284 212 W CB -0.038 29.256 29.460 -0.277 0.000 1.145 212 W HN 0.291 nan 8.180 nan 0.000 0.502 213 R N 0.458 121.009 120.500 0.084 0.000 2.117 213 R HA -0.225 4.114 4.340 -0.002 0.000 0.243 213 R C 2.125 178.382 176.300 -0.071 0.000 1.143 213 R CA 1.837 57.944 56.100 0.013 0.000 0.968 213 R CB -0.568 29.741 30.300 0.016 0.000 0.863 213 R HN 0.174 nan 8.270 nan 0.000 0.444 214 A N 0.051 122.731 122.820 -0.233 0.000 1.873 214 A HA -0.095 4.224 4.320 -0.002 0.000 0.215 214 A C 2.258 179.744 177.584 -0.163 0.000 1.186 214 A CA 1.545 53.374 52.037 -0.347 0.000 0.616 214 A CB -0.524 17.912 19.000 -0.939 0.000 0.823 214 A HN 0.221 nan 8.150 nan 0.000 0.442 215 V N -0.059 119.778 119.914 -0.128 0.000 2.287 215 V HA -0.265 3.854 4.120 -0.002 0.000 0.248 215 V C 3.024 179.208 176.094 0.151 0.000 1.053 215 V CA 2.028 64.342 62.300 0.024 0.000 1.027 215 V CB -1.231 30.503 31.823 -0.149 0.000 0.646 215 V HN 0.608 nan 8.190 nan 0.000 0.447 216 A N -0.267 122.576 122.820 0.038 0.000 2.015 216 A HA -0.248 4.071 4.320 -0.002 0.000 0.219 216 A C 2.017 179.692 177.584 0.152 0.000 1.163 216 A CA 1.879 53.963 52.037 0.079 0.000 0.646 216 A CB -0.569 18.430 19.000 -0.002 0.000 0.806 216 A HN 0.582 nan 8.150 nan 0.000 0.448 217 D N -0.508 119.927 120.400 0.060 0.000 2.117 217 D HA -0.158 4.481 4.640 -0.002 0.000 0.198 217 D C 2.101 178.398 176.300 -0.006 0.000 0.982 217 D CA 1.272 55.289 54.000 0.028 0.000 0.828 217 D CB -0.058 40.737 40.800 -0.009 0.000 0.967 217 D HN 0.299 nan 8.370 nan 0.000 0.464 218 R N -0.805 119.658 120.500 -0.061 0.000 2.092 218 R HA 0.008 4.347 4.340 -0.002 0.000 0.231 218 R C 1.408 177.498 176.300 -0.351 0.000 1.119 218 R CA 1.319 57.258 56.100 -0.269 0.000 0.970 218 R CB -0.653 29.370 30.300 -0.462 0.000 0.864 218 R HN 0.214 nan 8.270 nan 0.000 0.440 219 F N -0.382 119.630 119.950 0.104 0.000 2.695 219 F HA 0.431 4.957 4.527 -0.002 0.000 0.303 219 F C 1.829 177.739 175.800 0.182 0.000 1.091 219 F CA 0.204 58.296 58.000 0.154 0.000 1.300 219 F CB 0.039 39.181 39.000 0.236 0.000 1.071 219 F HN 0.100 nan 8.300 nan 0.000 0.578 220 A N -0.187 122.805 122.820 0.286 0.000 1.948 220 A HA -0.200 4.119 4.320 -0.002 0.000 0.220 220 A C 1.600 179.273 177.584 0.149 0.000 1.177 220 A CA 2.171 54.340 52.037 0.220 0.000 0.636 220 A CB -0.440 18.651 19.000 0.152 0.000 0.815 220 A HN 0.232 nan 8.150 nan 0.000 0.449 221 D N -0.686 119.783 120.400 0.115 0.000 2.424 221 D HA 0.045 4.684 4.640 -0.002 0.000 0.220 221 D C -0.198 176.159 176.300 0.095 0.000 1.150 221 D CA -0.145 53.906 54.000 0.084 0.000 0.831 221 D CB -0.159 40.670 40.800 0.049 0.000 0.981 221 D HN 0.256 nan 8.370 nan 0.000 0.500 222 N N 1.835 120.624 118.700 0.149 0.000 2.415 222 N HA -0.013 4.726 4.740 -0.002 0.000 0.246 222 N C 0.347 175.945 175.510 0.147 0.000 1.078 222 N CA -0.050 53.104 53.050 0.172 0.000 0.942 222 N CB 1.051 39.732 38.487 0.323 0.000 1.140 222 N HN -0.133 nan 8.380 nan 0.000 0.501 223 D N 2.555 123.024 120.400 0.114 0.000 2.348 223 D HA -0.034 4.605 4.640 -0.002 0.000 0.216 223 D C 1.311 177.676 176.300 0.109 0.000 0.970 223 D CA 0.409 54.470 54.000 0.101 0.000 0.889 223 D CB 0.274 41.123 40.800 0.082 0.000 0.912 223 D HN 0.636 nan 8.370 nan 0.000 0.524 224 A N 0.122 123.016 122.820 0.123 0.000 2.072 224 A HA 0.063 4.382 4.320 -0.002 0.000 0.216 224 A C 1.132 178.782 177.584 0.110 0.000 1.156 224 A CA 0.112 52.227 52.037 0.130 0.000 0.701 224 A CB 0.301 19.388 19.000 0.144 0.000 0.816 224 A HN 0.049 nan 8.150 nan 0.000 0.458 225 V N 0.344 120.317 119.914 0.099 0.000 2.432 225 V HA 0.200 4.319 4.120 -0.002 0.000 0.271 225 V C 1.124 177.243 176.094 0.041 0.000 1.046 225 V CA 0.210 62.540 62.300 0.050 0.000 0.945 225 V CB 1.267 33.124 31.823 0.057 0.000 0.992 225 V HN 0.144 nan 8.190 nan 0.000 0.471 226 V N 4.187 124.132 119.914 0.051 0.000 3.635 226 V HA 0.675 4.794 4.120 -0.002 0.000 0.266 226 V C 0.618 176.758 176.094 0.077 0.000 1.316 226 V CA 1.010 63.365 62.300 0.092 0.000 1.060 226 V CB 0.662 32.536 31.823 0.085 0.000 0.820 226 V HN 0.927 nan 8.190 nan 0.000 0.447 227 A N -0.851 121.954 122.820 -0.025 0.000 2.574 227 A HA 0.767 5.086 4.320 -0.002 0.000 0.297 227 A C -2.111 175.427 177.584 -0.077 0.000 1.062 227 A CA -0.396 51.631 52.037 -0.016 0.000 0.686 227 A CB 1.217 20.307 19.000 0.150 0.000 1.285 227 A HN 0.174 nan 8.150 nan 0.000 0.403 228 Y N 0.946 121.294 120.300 0.079 0.000 2.328 228 Y HA 0.461 5.010 4.550 -0.002 0.000 0.333 228 Y C -0.224 175.636 175.900 -0.067 0.000 0.958 228 Y CA -1.306 56.767 58.100 -0.044 0.000 1.167 228 Y CB 1.783 39.969 38.460 -0.458 0.000 1.151 228 Y HN 0.664 nan 8.280 nan 0.000 0.470 229 D N 3.985 124.563 120.400 0.297 0.000 2.428 229 D HA 0.218 4.857 4.640 -0.002 0.000 0.221 229 D C 0.761 177.283 176.300 0.370 0.000 1.123 229 D CA 0.054 54.217 54.000 0.271 0.000 0.869 229 D CB 0.841 41.839 40.800 0.329 0.000 1.032 229 D HN 0.622 nan 8.370 nan 0.000 0.506 230 L N 2.672 124.008 121.223 0.188 0.000 2.083 230 L HA 0.019 4.358 4.340 -0.002 0.000 0.209 230 L C 1.262 178.580 176.870 0.747 0.000 1.083 230 L CA 0.781 55.793 54.840 0.287 0.000 0.752 230 L CB -0.163 41.978 42.059 0.137 0.000 0.899 230 L HN 0.448 nan 8.230 nan 0.000 0.433 231 M N -0.430 119.531 119.600 0.602 0.000 2.274 231 M HA 0.232 4.711 4.480 -0.002 0.000 0.272 231 M C -1.162 175.364 176.300 0.376 0.000 1.053 231 M CA -0.551 55.075 55.300 0.543 0.000 0.978 231 M CB 1.864 34.786 32.600 0.537 0.000 1.836 231 M HN -0.145 nan 8.290 nan 0.000 0.484 232 N N 3.637 122.499 118.700 0.271 0.000 2.468 232 N HA 0.054 4.793 4.740 -0.002 0.000 0.265 232 N C -0.779 174.809 175.510 0.129 0.000 1.199 232 N CA 1.000 54.138 53.050 0.147 0.000 0.928 232 N CB 0.475 38.871 38.487 -0.152 0.000 1.059 232 N HN 0.749 nan 8.380 nan 0.000 0.467 233 E N 0.393 120.643 120.200 0.082 0.000 2.246 233 E HA -0.200 4.150 4.350 -0.002 0.000 0.173 233 E C -2.093 174.643 176.600 0.226 0.000 1.532 233 E CA -0.060 56.392 56.400 0.088 0.000 0.672 233 E CB -1.229 28.529 29.700 0.096 0.000 1.078 233 E HN 0.604 nan 8.360 nan 0.000 0.338 234 P HA -0.027 nan 4.420 nan 0.000 0.262 234 P C -0.656 176.915 177.300 0.452 0.000 1.182 234 P CA 0.630 64.019 63.100 0.481 0.000 0.761 234 P CB 0.213 32.174 31.700 0.436 0.000 0.795 235 F N 2.572 122.643 119.950 0.201 0.000 2.539 235 F HA 0.573 5.099 4.527 -0.002 0.000 0.318 235 F C 0.854 176.279 175.800 -0.626 0.000 1.135 235 F CA -0.483 57.314 58.000 -0.340 0.000 0.915 235 F CB 1.605 40.211 39.000 -0.656 0.000 1.176 235 F HN 0.340 nan 8.300 nan 0.000 0.440 236 G N 2.982 110.577 108.800 -2.009 0.000 3.141 236 G HA2 0.393 4.352 3.960 -0.002 0.000 0.218 236 G HA3 0.393 4.352 3.960 -0.002 0.000 0.218 236 G C 0.912 175.104 174.900 -1.180 0.000 1.170 236 G CA 0.339 44.038 45.100 -2.336 0.000 0.769 236 G HN 1.428 nan 8.290 nan 0.000 0.546 237 G N 0.749 108.710 108.800 -1.399 0.000 2.596 237 G HA2 -0.373 3.586 3.960 -0.002 0.000 0.304 237 G HA3 -0.373 3.586 3.960 -0.002 0.000 0.304 237 G C 1.499 176.131 174.900 -0.446 0.000 1.189 237 G CA 0.714 45.466 45.100 -0.581 0.000 0.986 237 G HN 0.614 nan 8.290 nan 0.000 0.548 238 S N 0.625 116.210 115.700 -0.192 0.000 2.515 238 S HA 0.236 4.705 4.470 -0.002 0.000 0.231 238 S C 1.088 175.577 174.600 -0.186 0.000 0.987 238 S CA 0.753 58.872 58.200 -0.136 0.000 0.936 238 S CB -0.146 63.029 63.200 -0.041 0.000 0.766 238 S HN 0.452 nan 8.310 nan 0.000 0.528 239 L N 2.479 123.526 121.223 -0.293 0.000 2.282 239 L HA 0.452 4.791 4.340 -0.002 0.000 0.288 239 L C -0.125 176.504 176.870 -0.402 0.000 1.033 239 L CA -0.420 54.259 54.840 -0.269 0.000 0.807 239 L CB 0.908 42.846 42.059 -0.203 0.000 1.209 239 L HN 0.096 nan 8.230 nan 0.000 0.423 240 Q N 2.048 121.722 119.800 -0.211 0.000 2.421 240 Q HA 0.642 4.981 4.340 -0.002 0.000 0.280 240 Q C 0.164 176.145 176.000 -0.032 0.000 1.085 240 Q CA -0.170 55.533 55.803 -0.167 0.000 0.807 240 Q CB 2.631 31.261 28.738 -0.180 0.000 1.405 240 Q HN 0.784 nan 8.270 nan 0.000 0.419 241 G N 1.769 110.580 108.800 0.018 0.000 2.593 241 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.237 241 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.237 241 G C -2.018 172.889 174.900 0.011 0.000 1.312 241 G CA -0.181 44.929 45.100 0.017 0.000 0.896 241 G HN 0.481 nan 8.290 nan 0.000 0.574 242 P HA -0.003 nan 4.420 nan 0.000 0.218 242 P C 2.202 179.473 177.300 -0.049 0.000 1.146 242 P CA 3.043 66.120 63.100 -0.039 0.000 0.813 242 P CB -0.263 31.419 31.700 -0.030 0.000 0.778 243 A N -1.062 121.743 122.820 -0.026 0.000 1.908 243 A HA -0.235 4.084 4.320 -0.002 0.000 0.218 243 A C 2.084 179.657 177.584 -0.018 0.000 1.181 243 A CA 1.699 53.721 52.037 -0.024 0.000 0.627 243 A CB -1.700 17.288 19.000 -0.018 0.000 0.818 243 A HN 0.198 nan 8.150 nan 0.000 0.445 244 F N 0.653 120.484 119.950 -0.198 0.000 2.147 244 F HA 0.036 4.562 4.527 -0.002 0.000 0.291 244 F C 2.117 177.738 175.800 -0.299 0.000 1.093 244 F CA 1.704 59.521 58.000 -0.305 0.000 1.263 244 F CB -0.610 38.164 39.000 -0.377 0.000 1.036 244 F HN 0.336 nan 8.300 nan 0.000 0.481 245 E N 0.290 120.175 120.200 -0.526 0.000 2.072 245 E HA -0.117 4.232 4.350 -0.002 0.000 0.191 245 E C 2.119 178.493 176.600 -0.377 0.000 0.985 245 E CA 1.101 57.138 56.400 -0.604 0.000 0.801 245 E CB -0.386 29.143 29.700 -0.284 0.000 0.750 245 E HN 0.448 nan 8.360 nan 0.000 0.452 246 A N 0.890 123.574 122.820 -0.226 0.000 2.218 246 A HA 0.177 4.496 4.320 -0.002 0.000 0.209 246 A C 1.586 179.087 177.584 -0.138 0.000 1.168 246 A CA 0.823 52.774 52.037 -0.144 0.000 0.804 246 A CB -0.061 18.885 19.000 -0.089 0.000 0.834 246 A HN 0.272 nan 8.150 nan 0.000 0.482 247 G N 0.096 108.787 108.800 -0.181 0.000 3.226 247 G HA2 0.273 4.232 3.960 -0.002 0.000 0.190 247 G HA3 0.273 4.232 3.960 -0.002 0.000 0.190 247 G C -0.796 174.008 174.900 -0.159 0.000 1.988 247 G CA 0.483 45.505 45.100 -0.130 0.000 0.859 247 G HN 0.210 nan 8.290 nan 0.000 0.631 248 P HA -0.020 nan 4.420 nan 0.000 0.221 248 P C 2.030 179.181 177.300 -0.248 0.000 1.150 248 P CA 0.510 63.561 63.100 -0.081 0.000 0.800 248 P CB 0.127 31.868 31.700 0.068 0.000 0.787 249 L N 0.785 121.576 121.223 -0.720 0.000 1.988 249 L HA -0.043 4.296 4.340 -0.002 0.000 0.207 249 L C 2.573 179.109 176.870 -0.556 0.000 1.071 249 L CA 2.253 56.562 54.840 -0.885 0.000 0.744 249 L CB -1.677 39.561 42.059 -1.369 0.000 0.893 249 L HN -0.077 nan 8.230 nan 0.000 0.433 250 A N -0.472 122.145 122.820 -0.338 0.000 1.940 250 A HA -0.167 4.152 4.320 -0.002 0.000 0.219 250 A C 2.427 180.009 177.584 -0.003 0.000 1.176 250 A CA 2.096 54.089 52.037 -0.073 0.000 0.631 250 A CB -1.249 17.720 19.000 -0.051 0.000 0.814 250 A HN 0.624 nan 8.150 nan 0.000 0.446 251 A N -0.944 121.855 122.820 -0.035 0.000 1.933 251 A HA -0.117 4.202 4.320 -0.002 0.000 0.218 251 A C 2.205 179.837 177.584 0.080 0.000 1.175 251 A CA 1.919 53.974 52.037 0.030 0.000 0.628 251 A CB -0.496 18.520 19.000 0.028 0.000 0.814 251 A HN 0.545 nan 8.150 nan 0.000 0.444 252 M N -1.300 118.354 119.600 0.090 0.000 2.117 252 M HA -0.139 4.340 4.480 -0.002 0.000 0.262 252 M C 1.915 178.348 176.300 0.221 0.000 1.065 252 M CA 1.854 57.253 55.300 0.164 0.000 1.114 252 M CB -0.799 31.961 32.600 0.267 0.000 1.361 252 M HN 0.459 nan 8.290 nan 0.000 0.408 253 Y N 0.812 121.204 120.300 0.155 0.000 2.165 253 Y HA -0.245 4.304 4.550 -0.002 0.000 0.286 253 Y C 2.720 178.657 175.900 0.061 0.000 1.155 253 Y CA 1.836 59.998 58.100 0.104 0.000 1.164 253 Y CB -1.419 37.081 38.460 0.067 0.000 0.978 253 Y HN 0.370 nan 8.280 nan 0.000 0.513 254 Q N 0.588 120.518 119.800 0.215 0.000 2.050 254 Q HA -0.152 4.187 4.340 -0.002 0.000 0.202 254 Q C 2.231 178.292 176.000 0.103 0.000 0.980 254 Q CA 1.776 57.651 55.803 0.121 0.000 0.840 254 Q CB -0.173 28.615 28.738 0.083 0.000 0.898 254 Q HN 0.368 nan 8.270 nan 0.000 0.424 255 R N -1.193 119.377 120.500 0.117 0.000 2.092 255 R HA -0.048 4.291 4.340 -0.002 0.000 0.231 255 R C 2.240 178.613 176.300 0.121 0.000 1.119 255 R CA 1.675 57.840 56.100 0.109 0.000 0.970 255 R CB -0.336 30.032 30.300 0.113 0.000 0.864 255 R HN 0.258 nan 8.270 nan 0.000 0.440 256 T N 0.073 114.723 114.554 0.160 0.000 2.857 256 T HA -0.070 4.279 4.350 -0.002 0.000 0.266 256 T C 1.803 176.530 174.700 0.046 0.000 1.048 256 T CA 1.539 63.724 62.100 0.141 0.000 1.139 256 T CB -0.146 68.851 68.868 0.215 0.000 0.874 256 T HN 0.278 nan 8.240 nan 0.000 0.455 257 T N 2.259 116.839 114.554 0.044 0.000 2.674 257 T HA -0.133 4.216 4.350 -0.002 0.000 0.265 257 T C 1.723 176.433 174.700 0.016 0.000 1.039 257 T CA 1.362 63.464 62.100 0.004 0.000 1.150 257 T CB -0.535 68.338 68.868 0.007 0.000 0.864 257 T HN 0.311 nan 8.240 nan 0.000 0.427 258 D N 1.347 121.768 120.400 0.034 0.000 2.133 258 D HA -0.077 4.562 4.640 -0.002 0.000 0.195 258 D C 2.317 178.639 176.300 0.037 0.000 0.997 258 D CA 1.389 55.409 54.000 0.032 0.000 0.840 258 D CB -0.517 40.307 40.800 0.039 0.000 0.947 258 D HN 0.420 nan 8.370 nan 0.000 0.452 259 A N 0.480 123.330 122.820 0.050 0.000 1.898 259 A HA -0.114 4.205 4.320 -0.002 0.000 0.216 259 A C 2.408 180.019 177.584 0.046 0.000 1.181 259 A CA 0.822 52.892 52.037 0.054 0.000 0.620 259 A CB -0.694 18.352 19.000 0.076 0.000 0.819 259 A HN 0.192 nan 8.150 nan 0.000 0.442 260 I N -0.710 119.881 120.570 0.035 0.000 2.208 260 I HA -0.239 3.930 4.170 -0.002 0.000 0.245 260 I C 2.321 178.470 176.117 0.054 0.000 1.097 260 I CA 1.038 62.359 61.300 0.035 0.000 1.363 260 I CB -0.207 37.794 38.000 0.001 0.000 1.051 260 I HN 0.184 nan 8.210 nan 0.000 0.413 261 R N 0.702 121.223 120.500 0.034 0.000 2.339 261 R HA -0.087 4.252 4.340 -0.002 0.000 0.199 261 R C 1.871 178.186 176.300 0.025 0.000 1.018 261 R CA 0.616 56.730 56.100 0.024 0.000 1.036 261 R CB -0.356 29.946 30.300 0.003 0.000 0.899 261 R HN 0.588 nan 8.270 nan 0.000 0.473 262 Q N -0.079 119.740 119.800 0.032 0.000 2.245 262 Q HA -0.048 4.291 4.340 -0.002 0.000 0.201 262 Q C 1.762 177.782 176.000 0.034 0.000 0.955 262 Q CA 1.348 57.169 55.803 0.031 0.000 0.870 262 Q CB 0.436 29.194 28.738 0.033 0.000 0.945 262 Q HN 0.269 nan 8.270 nan 0.000 0.461 263 V N -4.347 115.594 119.914 0.045 0.000 3.548 263 V HA 0.280 4.399 4.120 -0.002 0.000 0.279 263 V C -0.193 175.946 176.094 0.075 0.000 1.446 263 V CA -0.217 62.114 62.300 0.053 0.000 1.023 263 V CB 1.110 32.964 31.823 0.051 0.000 0.820 263 V HN -0.031 nan 8.190 nan 0.000 0.438 264 D N 0.296 120.747 120.400 0.086 0.000 2.478 264 D HA 0.305 4.944 4.640 -0.002 0.000 0.240 264 D C 0.442 176.779 176.300 0.060 0.000 1.364 264 D CA -0.167 53.900 54.000 0.112 0.000 0.987 264 D CB 2.142 43.084 40.800 0.236 0.000 1.328 264 D HN -0.004 nan 8.370 nan 0.000 0.584 265 Q N 1.552 121.366 119.800 0.023 0.000 2.354 265 Q HA 0.069 4.408 4.340 -0.002 0.000 0.203 265 Q C 0.216 176.169 176.000 -0.078 0.000 0.933 265 Q CA 0.914 56.703 55.803 -0.023 0.000 0.901 265 Q CB 0.663 29.388 28.738 -0.022 0.000 1.007 265 Q HN 0.500 nan 8.270 nan 0.000 0.495 266 D N -0.538 119.821 120.400 -0.068 0.000 2.473 266 D HA 0.049 4.688 4.640 -0.002 0.000 0.230 266 D C -0.024 176.174 176.300 -0.169 0.000 1.097 266 D CA 0.249 54.169 54.000 -0.133 0.000 0.861 266 D CB 0.454 41.224 40.800 -0.050 0.000 1.114 266 D HN -0.019 nan 8.370 nan 0.000 0.500 267 T N 1.088 115.584 114.554 -0.096 0.000 2.916 267 T HA -0.038 4.311 4.350 -0.002 0.000 0.303 267 T C 0.306 174.925 174.700 -0.135 0.000 1.025 267 T CA -0.182 61.840 62.100 -0.129 0.000 1.142 267 T CB 0.730 69.346 68.868 -0.421 0.000 0.947 267 T HN 0.045 nan 8.240 nan 0.000 0.544 268 W N 2.757 123.958 121.300 -0.165 0.000 2.251 268 W HA 0.241 4.900 4.660 -0.002 0.000 0.327 268 W C -0.324 176.127 176.519 -0.113 0.000 1.361 268 W CA -0.451 56.833 57.345 -0.103 0.000 1.234 268 W CB 0.439 29.860 29.460 -0.065 0.000 1.212 268 W HN 0.277 nan 8.180 nan 0.000 0.557 269 V N 5.231 125.172 119.914 0.045 0.000 2.364 269 V HA 0.123 4.242 4.120 -0.002 0.000 0.272 269 V C 0.150 176.260 176.094 0.027 0.000 1.036 269 V CA -0.483 61.821 62.300 0.007 0.000 0.880 269 V CB 0.662 32.451 31.823 -0.058 0.000 0.991 269 V HN 0.472 nan 8.190 nan 0.000 0.460 270 C N 5.704 125.014 119.300 0.016 0.000 2.329 270 C HA 0.754 5.213 4.460 -0.002 0.000 0.329 270 C C 0.225 175.156 174.990 -0.097 0.000 1.275 270 C CA -0.855 58.181 59.018 0.029 0.000 1.726 270 C CB 0.804 28.608 27.740 0.106 0.000 2.291 270 C HN 0.770 nan 8.230 nan 0.000 0.514 271 V N 0.805 120.634 119.914 -0.143 0.000 2.715 271 V HA 1.000 5.120 4.120 -0.002 0.000 0.310 271 V C -0.087 175.978 176.094 -0.049 0.000 1.054 271 V CA -0.494 61.560 62.300 -0.410 0.000 0.928 271 V CB 1.423 32.809 31.823 -0.728 0.000 1.007 271 V HN 1.096 nan 8.190 nan 0.000 0.437 272 A N 4.970 127.819 122.820 0.049 0.000 2.356 272 A HA 1.030 5.349 4.320 -0.002 0.000 0.323 272 A C -2.652 175.102 177.584 0.284 0.000 1.119 272 A CA -2.009 50.102 52.037 0.123 0.000 0.790 272 A CB 1.599 20.650 19.000 0.086 0.000 1.273 272 A HN 0.808 nan 8.150 nan 0.000 0.452 273 P HA 0.224 nan 4.420 nan 0.000 0.277 273 P C -0.763 176.623 177.300 0.143 0.000 1.271 273 P CA -0.412 62.812 63.100 0.207 0.000 0.795 273 P CB 0.346 32.179 31.700 0.221 0.000 1.101 274 Q N -0.264 119.611 119.800 0.125 0.000 2.361 274 Q HA 0.251 4.590 4.340 -0.002 0.000 0.276 274 Q C 0.789 176.866 176.000 0.128 0.000 1.022 274 Q CA -0.174 55.743 55.803 0.190 0.000 0.898 274 Q CB 0.357 29.257 28.738 0.271 0.000 1.246 274 Q HN 0.426 nan 8.270 nan 0.000 0.410 275 A N 3.836 126.722 122.820 0.109 0.000 1.855 275 A HA -0.025 4.294 4.320 -0.002 0.000 0.213 275 A C 0.903 178.528 177.584 0.068 0.000 1.195 275 A CA 0.325 52.404 52.037 0.070 0.000 0.610 275 A CB -0.198 18.828 19.000 0.043 0.000 0.837 275 A HN 0.805 nan 8.150 nan 0.000 0.444 276 I N -0.327 120.262 120.570 0.032 0.000 2.648 276 I HA 0.393 4.562 4.170 -0.002 0.000 0.284 276 I C 1.435 177.577 176.117 0.041 0.000 1.153 276 I CA 1.245 62.549 61.300 0.006 0.000 1.426 276 I CB 0.310 38.296 38.000 -0.023 0.000 1.381 276 I HN 0.758 nan 8.210 nan 0.000 0.571 277 G N 4.778 113.605 108.800 0.045 0.000 3.909 277 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.218 277 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.218 277 G C 0.914 175.873 174.900 0.097 0.000 1.404 277 G CA 0.304 45.439 45.100 0.058 0.000 0.905 277 G HN 0.651 nan 8.290 nan 0.000 0.589 278 V N 1.807 121.789 119.914 0.113 0.000 2.427 278 V HA -0.113 4.006 4.120 -0.002 0.000 0.248 278 V C 2.540 178.780 176.094 0.244 0.000 1.051 278 V CA 2.528 64.921 62.300 0.156 0.000 1.048 278 V CB -0.645 31.262 31.823 0.140 0.000 0.666 278 V HN 0.504 nan 8.190 nan 0.000 0.456 279 N N 0.524 119.359 118.700 0.225 0.000 2.258 279 N HA -0.203 4.536 4.740 -0.002 0.000 0.187 279 N C 1.742 177.396 175.510 0.240 0.000 1.012 279 N CA 1.261 54.478 53.050 0.278 0.000 0.870 279 N CB -0.273 38.382 38.487 0.280 0.000 0.977 279 N HN 0.556 nan 8.380 nan 0.000 0.434 280 Q N -1.566 118.348 119.800 0.191 0.000 2.319 280 Q HA 0.377 4.716 4.340 -0.002 0.000 0.202 280 Q C 0.875 176.971 176.000 0.160 0.000 0.896 280 Q CA 0.426 56.317 55.803 0.147 0.000 0.942 280 Q CB 0.654 29.451 28.738 0.099 0.000 1.083 280 Q HN 0.342 nan 8.270 nan 0.000 0.510 281 G N -0.687 108.250 108.800 0.229 0.000 2.175 281 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.182 281 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.182 281 G C -0.431 174.555 174.900 0.143 0.000 1.003 281 G CA -0.596 44.644 45.100 0.233 0.000 0.666 281 G HN 0.136 nan 8.290 nan 0.000 0.506 282 L N 2.424 123.717 121.223 0.117 0.000 2.436 282 L HA 0.514 4.853 4.340 -0.002 0.000 0.265 282 L C -1.274 175.631 176.870 0.058 0.000 1.168 282 L CA -1.754 53.127 54.840 0.069 0.000 0.815 282 L CB 0.180 42.273 42.059 0.056 0.000 1.109 282 L HN -0.027 nan 8.230 nan 0.000 0.462 283 P HA 0.068 nan 4.420 nan 0.000 0.272 283 P C -0.842 176.479 177.300 0.035 0.000 1.223 283 P CA -0.399 62.707 63.100 0.010 0.000 0.784 283 P CB 0.980 32.659 31.700 -0.036 0.000 0.923 284 S N 0.400 116.133 115.700 0.056 0.000 2.525 284 S HA 0.529 4.998 4.470 -0.002 0.000 0.290 284 S C 1.247 175.867 174.600 0.035 0.000 1.152 284 S CA -0.352 57.885 58.200 0.062 0.000 1.072 284 S CB 0.230 63.500 63.200 0.117 0.000 1.027 284 S HN 0.528 nan 8.310 nan 0.000 0.500 285 G N 3.214 112.018 108.800 0.007 0.000 3.233 285 G HA2 0.188 4.147 3.960 -0.002 0.000 0.227 285 G HA3 0.188 4.147 3.960 -0.002 0.000 0.227 285 G C 0.202 175.077 174.900 -0.043 0.000 1.175 285 G CA -0.285 44.805 45.100 -0.015 0.000 0.781 285 G HN 0.606 nan 8.290 nan 0.000 0.542 286 L N 3.011 124.210 121.223 -0.040 0.000 2.525 286 L HA 0.335 4.675 4.340 -0.002 0.000 0.278 286 L C 0.859 177.683 176.870 -0.078 0.000 1.218 286 L CA 0.259 55.068 54.840 -0.051 0.000 0.878 286 L CB 0.526 42.588 42.059 0.005 0.000 1.127 286 L HN 0.163 nan 8.230 nan 0.000 0.492 287 T N 1.796 116.311 114.554 -0.064 0.000 2.949 287 T HA 0.390 4.739 4.350 -0.002 0.000 0.287 287 T C -0.183 174.479 174.700 -0.063 0.000 1.034 287 T CA -1.104 60.954 62.100 -0.070 0.000 1.018 287 T CB 0.894 69.730 68.868 -0.054 0.000 1.135 287 T HN 0.634 nan 8.240 nan 0.000 0.532 288 K N 0.834 121.191 120.400 -0.072 0.000 2.451 288 K HA 0.182 4.501 4.320 -0.002 0.000 0.280 288 K C -0.477 176.104 176.600 -0.032 0.000 1.020 288 K CA -0.393 55.854 56.287 -0.067 0.000 1.008 288 K CB 0.062 32.522 32.500 -0.068 0.000 0.917 288 K HN 0.408 nan 8.250 nan 0.000 0.478 289 I N 4.260 124.814 120.570 -0.028 0.000 2.359 289 I HA 0.138 4.307 4.170 -0.002 0.000 0.294 289 I C -0.103 176.002 176.117 -0.020 0.000 0.987 289 I CA -0.598 60.700 61.300 -0.003 0.000 1.225 289 I CB 1.299 39.301 38.000 0.003 0.000 1.366 289 I HN 0.633 nan 8.210 nan 0.000 0.466 290 D N 4.651 125.045 120.400 -0.010 0.000 2.308 290 D HA 0.117 4.756 4.640 -0.002 0.000 0.251 290 D C -0.234 176.052 176.300 -0.023 0.000 1.127 290 D CA 0.009 53.998 54.000 -0.019 0.000 0.876 290 D CB 1.682 42.474 40.800 -0.012 0.000 1.176 290 D HN 0.349 nan 8.370 nan 0.000 0.446 291 D N 2.363 122.740 120.400 -0.039 0.000 2.373 291 D HA 0.161 4.800 4.640 -0.002 0.000 0.227 291 D C -1.593 174.680 176.300 -0.046 0.000 1.091 291 D CA -2.043 51.926 54.000 -0.053 0.000 0.840 291 D CB 1.725 42.474 40.800 -0.085 0.000 1.060 291 D HN 0.044 nan 8.370 nan 0.000 0.502 292 P HA -0.032 nan 4.420 nan 0.000 0.237 292 P C 0.399 177.679 177.300 -0.035 0.000 1.178 292 P CA 0.044 63.128 63.100 -0.027 0.000 0.766 292 P CB 0.059 31.751 31.700 -0.013 0.000 0.876 293 R N 0.564 121.032 120.500 -0.052 0.000 2.756 293 R HA 0.324 4.663 4.340 -0.002 0.000 0.264 293 R C 0.015 176.283 176.300 -0.054 0.000 1.026 293 R CA -0.274 55.790 56.100 -0.060 0.000 1.121 293 R CB -0.089 30.153 30.300 -0.097 0.000 0.999 293 R HN -0.112 nan 8.270 nan 0.000 0.449 294 A N 2.179 124.972 122.820 -0.045 0.000 2.477 294 A HA 0.465 4.784 4.320 -0.002 0.000 0.246 294 A C 1.101 178.657 177.584 -0.047 0.000 1.078 294 A CA 0.589 52.603 52.037 -0.038 0.000 0.770 294 A CB -0.450 18.534 19.000 -0.028 0.000 1.011 294 A HN 1.306 nan 8.150 nan 0.000 0.494 295 G N 1.411 110.188 108.800 -0.038 0.000 2.499 295 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.232 295 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.232 295 G C -0.103 174.769 174.900 -0.047 0.000 1.251 295 G CA 0.149 45.226 45.100 -0.038 0.000 0.917 295 G HN 1.058 nan 8.290 nan 0.000 0.580 296 Q N 0.931 120.702 119.800 -0.049 0.000 2.373 296 Q HA 0.336 4.675 4.340 -0.002 0.000 0.255 296 Q C 0.597 176.544 176.000 -0.089 0.000 0.980 296 Q CA -0.104 55.670 55.803 -0.048 0.000 0.882 296 Q CB 0.520 29.245 28.738 -0.022 0.000 1.249 296 Q HN 0.530 nan 8.270 nan 0.000 0.438 297 Q N 1.596 121.349 119.800 -0.078 0.000 2.392 297 Q HA 0.071 4.410 4.340 -0.002 0.000 0.262 297 Q C -0.234 175.658 176.000 -0.180 0.000 1.003 297 Q CA 0.594 56.329 55.803 -0.113 0.000 0.888 297 Q CB 0.603 29.298 28.738 -0.071 0.000 1.260 297 Q HN 0.357 nan 8.270 nan 0.000 0.435 298 R N 2.058 122.364 120.500 -0.323 0.000 2.983 298 R HA 0.342 4.681 4.340 -0.002 0.000 0.300 298 R C -0.696 175.378 176.300 -0.376 0.000 1.367 298 R CA -0.281 55.416 56.100 -0.671 0.000 1.564 298 R CB 0.494 30.017 30.300 -1.295 0.000 1.314 298 R HN 0.417 nan 8.270 nan 0.000 0.622 299 I N 1.066 121.598 120.570 -0.064 0.000 2.412 299 I HA 0.548 4.717 4.170 -0.002 0.000 0.296 299 I C 0.418 176.661 176.117 0.211 0.000 0.987 299 I CA -0.800 60.529 61.300 0.048 0.000 1.180 299 I CB 1.532 39.523 38.000 -0.015 0.000 1.340 299 I HN 0.280 nan 8.210 nan 0.000 0.455 300 A N 5.673 128.631 122.820 0.230 0.000 2.430 300 A HA 0.705 5.024 4.320 -0.002 0.000 0.300 300 A C -1.823 175.862 177.584 0.170 0.000 1.124 300 A CA -0.477 51.676 52.037 0.194 0.000 0.766 300 A CB 1.750 20.851 19.000 0.167 0.000 1.328 300 A HN 0.536 nan 8.150 nan 0.000 0.424 301 Y N -0.013 120.281 120.300 -0.011 0.000 2.335 301 Y HA 0.502 5.051 4.550 -0.002 0.000 0.338 301 Y C -0.531 175.383 175.900 0.024 0.000 0.977 301 Y CA -1.633 56.453 58.100 -0.024 0.000 1.114 301 Y CB 1.614 40.040 38.460 -0.057 0.000 1.182 301 Y HN 0.580 nan 8.280 nan 0.000 0.463 302 C N 9.116 128.306 119.300 -0.183 0.000 3.276 302 C HA 0.337 4.796 4.460 -0.002 0.000 0.226 302 C C -2.293 172.614 174.990 -0.139 0.000 1.502 302 C CA -1.335 57.637 59.018 -0.078 0.000 1.488 302 C CB -0.877 26.923 27.740 0.101 0.000 2.014 302 C HN 0.600 nan 8.230 nan 0.000 0.492 303 P HA 0.245 nan 4.420 nan 0.000 0.274 303 P C -0.593 176.916 177.300 0.347 0.000 1.256 303 P CA 0.429 63.449 63.100 -0.133 0.000 0.795 303 P CB 0.884 32.428 31.700 -0.261 0.000 1.038 304 H N -0.803 118.396 119.070 0.214 0.000 2.676 304 H HA 0.624 5.179 4.556 -0.002 0.000 0.352 304 H C -0.800 174.556 175.328 0.048 0.000 1.193 304 H CA -1.049 55.084 56.048 0.142 0.000 1.243 304 H CB 1.656 31.549 29.762 0.218 0.000 1.751 304 H HN 0.203 nan 8.280 nan 0.000 0.567 305 L N 2.208 123.289 121.223 -0.235 0.000 2.446 305 L HA 0.283 4.622 4.340 -0.002 0.000 0.268 305 L C -2.036 174.521 176.870 -0.522 0.000 0.975 305 L CA -0.478 54.017 54.840 -0.576 0.000 0.848 305 L CB 0.418 41.758 42.059 -1.197 0.000 1.225 305 L HN 0.551 nan 8.230 nan 0.000 0.410 306 Y N 5.528 125.816 120.300 -0.020 0.000 2.541 306 Y HA 0.461 5.010 4.550 -0.002 0.000 0.350 306 Y C -2.331 173.575 175.900 0.010 0.000 1.075 306 Y CA -2.185 55.935 58.100 0.035 0.000 1.302 306 Y CB 1.155 39.660 38.460 0.074 0.000 1.094 306 Y HN 0.527 nan 8.280 nan 0.000 0.579 307 P HA 0.075 nan 4.420 nan 0.000 0.265 307 P C 1.038 178.363 177.300 0.043 0.000 1.193 307 P CA 0.178 63.302 63.100 0.040 0.000 0.765 307 P CB 1.065 32.748 31.700 -0.028 0.000 0.823 308 L N 5.214 126.464 121.223 0.045 0.000 2.043 308 L HA -0.168 4.171 4.340 -0.002 0.000 0.212 308 L C -0.538 176.342 176.870 0.016 0.000 1.075 308 L CA 2.175 57.035 54.840 0.033 0.000 0.752 308 L CB -1.754 40.322 42.059 0.028 0.000 0.891 308 L HN 0.463 nan 8.230 nan 0.000 0.432 309 P HA -0.167 nan 4.420 nan 0.000 0.218 309 P C 1.744 179.035 177.300 -0.014 0.000 1.148 309 P CA 1.287 64.388 63.100 0.001 0.000 0.822 309 P CB 0.035 31.739 31.700 0.008 0.000 0.784 310 L N -1.574 119.619 121.223 -0.049 0.000 2.376 310 L HA -0.030 4.309 4.340 -0.002 0.000 0.219 310 L C 0.877 177.751 176.870 0.007 0.000 1.133 310 L CA 0.570 55.363 54.840 -0.078 0.000 0.816 310 L CB -0.728 41.202 42.059 -0.216 0.000 0.933 310 L HN 0.018 nan 8.230 nan 0.000 0.449 317 E N -0.097 120.028 120.200 -0.125 0.000 2.446 317 E HA 0.564 4.913 4.350 -0.002 0.000 0.276 317 E C 0.525 177.066 176.600 -0.100 0.000 0.969 317 E CA -0.846 55.477 56.400 -0.129 0.000 0.800 317 E CB 2.279 31.947 29.700 -0.053 0.000 1.341 317 E HN 0.493 nan 8.360 nan 0.000 0.460 318 G N 0.676 109.427 108.800 -0.082 0.000 2.574 318 G HA2 -0.342 3.617 3.960 -0.002 0.000 0.282 318 G HA3 -0.342 3.617 3.960 -0.002 0.000 0.282 318 G C 0.620 175.487 174.900 -0.055 0.000 1.257 318 G CA 0.396 45.463 45.100 -0.054 0.000 0.956 318 G HN 0.503 nan 8.290 nan 0.000 0.560 319 L N 0.902 122.105 121.223 -0.033 0.000 2.079 319 L HA 0.160 4.499 4.340 -0.002 0.000 0.210 319 L C 3.319 180.174 176.870 -0.024 0.000 1.081 319 L CA 3.240 58.066 54.840 -0.024 0.000 0.752 319 L CB -1.211 40.841 42.059 -0.012 0.000 0.896 319 L HN 1.439 nan 8.230 nan 0.000 0.433 320 A N -0.292 122.513 122.820 -0.025 0.000 1.892 320 A HA -0.319 4.000 4.320 -0.002 0.000 0.218 320 A C 2.567 180.136 177.584 -0.024 0.000 1.188 320 A CA 2.171 54.199 52.037 -0.014 0.000 0.631 320 A CB -0.733 18.261 19.000 -0.009 0.000 0.822 320 A HN 0.558 nan 8.150 nan 0.000 0.447 321 R N -1.005 119.425 120.500 -0.118 0.000 2.073 321 R HA -0.118 4.221 4.340 -0.002 0.000 0.234 321 R C 2.187 178.434 176.300 -0.088 0.000 1.134 321 R CA 2.043 57.979 56.100 -0.273 0.000 0.952 321 R CB -0.672 29.360 30.300 -0.447 0.000 0.850 321 R HN 0.500 nan 8.270 nan 0.000 0.433 322 T N 1.803 116.325 114.554 -0.053 0.000 2.684 322 T HA -0.155 4.195 4.350 -0.002 0.000 0.267 322 T C 1.849 176.563 174.700 0.022 0.000 1.036 322 T CA 1.591 63.685 62.100 -0.009 0.000 1.148 322 T CB -0.214 68.648 68.868 -0.010 0.000 0.863 322 T HN 0.180 nan 8.240 nan 0.000 0.436 323 L N 0.566 121.801 121.223 0.021 0.000 2.042 323 L HA -0.146 4.193 4.340 -0.002 0.000 0.210 323 L C 2.959 179.864 176.870 0.059 0.000 1.076 323 L CA 1.316 56.176 54.840 0.034 0.000 0.749 323 L CB -1.039 41.034 42.059 0.024 0.000 0.893 323 L HN 0.295 nan 8.230 nan 0.000 0.432 324 T N -1.160 113.445 114.554 0.085 0.000 2.777 324 T HA -0.169 4.180 4.350 -0.002 0.000 0.266 324 T C 1.477 176.271 174.700 0.157 0.000 1.040 324 T CA 1.355 63.531 62.100 0.126 0.000 1.141 324 T CB -0.210 68.769 68.868 0.186 0.000 0.868 324 T HN 0.297 nan 8.240 nan 0.000 0.444 325 D N 1.037 121.536 120.400 0.164 0.000 2.123 325 D HA -0.097 4.542 4.640 -0.002 0.000 0.196 325 D C 2.386 178.739 176.300 0.089 0.000 0.992 325 D CA 1.299 55.377 54.000 0.130 0.000 0.833 325 D CB -0.477 40.381 40.800 0.098 0.000 0.954 325 D HN 0.427 nan 8.370 nan 0.000 0.455 326 V N -1.375 118.582 119.914 0.073 0.000 2.548 326 V HA -0.131 3.988 4.120 -0.002 0.000 0.249 326 V C 2.158 178.300 176.094 0.081 0.000 1.055 326 V CA 1.654 63.992 62.300 0.063 0.000 1.065 326 V CB -1.100 30.751 31.823 0.046 0.000 0.681 326 V HN -0.010 nan 8.190 nan 0.000 0.462 327 T N 1.442 116.049 114.554 0.089 0.000 2.684 327 T HA -0.101 4.248 4.350 -0.002 0.000 0.267 327 T C 1.850 176.639 174.700 0.148 0.000 1.036 327 T CA 2.457 64.622 62.100 0.109 0.000 1.148 327 T CB -0.446 68.475 68.868 0.090 0.000 0.863 327 T HN 0.501 nan 8.240 nan 0.000 0.436 328 I N 1.289 121.929 120.570 0.116 0.000 2.208 328 I HA -0.201 3.968 4.170 -0.002 0.000 0.245 328 I C 2.338 178.565 176.117 0.183 0.000 1.097 328 I CA 1.242 62.613 61.300 0.118 0.000 1.363 328 I CB -0.418 37.601 38.000 0.031 0.000 1.051 328 I HN 0.163 nan 8.210 nan 0.000 0.413 329 D N 1.101 121.574 120.400 0.121 0.000 2.097 329 D HA -0.161 4.478 4.640 -0.002 0.000 0.195 329 D C 2.264 178.627 176.300 0.104 0.000 0.989 329 D CA 1.690 55.748 54.000 0.096 0.000 0.827 329 D CB -0.239 40.598 40.800 0.061 0.000 0.966 329 D HN 0.370 nan 8.370 nan 0.000 0.456 330 A N 0.278 123.168 122.820 0.116 0.000 1.873 330 A HA -0.155 4.165 4.320 -0.002 0.000 0.215 330 A C 2.172 179.833 177.584 0.128 0.000 1.186 330 A CA 1.397 53.492 52.037 0.098 0.000 0.616 330 A CB -1.293 17.764 19.000 0.094 0.000 0.823 330 A HN 0.398 nan 8.150 nan 0.000 0.442 331 W N 0.867 122.175 121.300 0.013 0.000 2.338 331 W HA -0.235 4.424 4.660 -0.002 0.000 0.304 331 W C 2.430 178.957 176.519 0.014 0.000 1.212 331 W CA 2.311 59.665 57.345 0.016 0.000 1.264 331 W CB -0.130 29.331 29.460 0.002 0.000 1.142 331 W HN 0.343 nan 8.180 nan 0.000 0.512 332 R N 0.343 120.933 120.500 0.150 0.000 2.066 332 R HA -0.138 4.201 4.340 -0.002 0.000 0.232 332 R C 2.293 178.515 176.300 -0.130 0.000 1.131 332 R CA 1.958 58.032 56.100 -0.043 0.000 0.955 332 R CB -0.866 29.498 30.300 0.107 0.000 0.851 332 R HN 0.166 nan 8.270 nan 0.000 0.432 333 A N 1.423 124.212 122.820 -0.052 0.000 1.908 333 A HA -0.197 4.122 4.320 -0.002 0.000 0.218 333 A C 1.821 179.365 177.584 -0.067 0.000 1.181 333 A CA 1.778 53.787 52.037 -0.048 0.000 0.627 333 A CB -0.634 18.352 19.000 -0.023 0.000 0.818 333 A HN 0.455 nan 8.150 nan 0.000 0.445 334 N N -0.508 118.132 118.700 -0.100 0.000 2.171 334 N HA -0.084 4.655 4.740 -0.002 0.000 0.184 334 N C 1.766 177.212 175.510 -0.106 0.000 1.021 334 N CA 1.819 54.819 53.050 -0.083 0.000 0.854 334 N CB -0.811 37.629 38.487 -0.078 0.000 0.994 334 N HN 0.480 nan 8.380 nan 0.000 0.426 335 T N 1.345 115.712 114.554 -0.312 0.000 2.708 335 T HA -0.078 4.271 4.350 -0.002 0.000 0.266 335 T C 2.001 176.621 174.700 -0.134 0.000 1.037 335 T CA 1.438 63.363 62.100 -0.291 0.000 1.146 335 T CB -0.377 67.952 68.868 -0.899 0.000 0.865 335 T HN 0.324 nan 8.240 nan 0.000 0.435 336 A N 1.188 123.915 122.820 -0.156 0.000 1.892 336 A HA -0.232 4.087 4.320 -0.002 0.000 0.218 336 A C 2.004 179.540 177.584 -0.081 0.000 1.188 336 A CA 2.504 54.482 52.037 -0.098 0.000 0.631 336 A CB -1.073 17.884 19.000 -0.072 0.000 0.822 336 A HN 0.716 nan 8.150 nan 0.000 0.447 337 H N -0.387 118.601 119.070 -0.135 0.000 2.290 337 H HA -0.096 4.459 4.556 -0.002 0.000 0.298 337 H C 2.087 177.308 175.328 -0.179 0.000 1.087 337 H CA 2.534 58.504 56.048 -0.130 0.000 1.291 337 H CB -0.463 29.234 29.762 -0.109 0.000 1.369 337 H HN 0.360 nan 8.280 nan 0.000 0.492 338 T N 0.272 114.656 114.554 -0.283 0.000 2.867 338 T HA -0.039 4.310 4.350 -0.002 0.000 0.268 338 T C 2.171 176.495 174.700 -0.626 0.000 1.057 338 T CA 0.976 62.771 62.100 -0.508 0.000 1.136 338 T CB -0.574 67.974 68.868 -0.534 0.000 0.874 338 T HN 0.560 nan 8.240 nan 0.000 0.466 339 A N 1.773 124.310 122.820 -0.472 0.000 1.933 339 A HA -0.086 4.233 4.320 -0.002 0.000 0.218 339 A C 2.383 179.822 177.584 -0.242 0.000 1.175 339 A CA 1.156 53.008 52.037 -0.308 0.000 0.628 339 A CB -0.404 18.522 19.000 -0.122 0.000 0.814 339 A HN 0.366 nan 8.150 nan 0.000 0.444 340 R N -0.719 119.631 120.500 -0.250 0.000 2.075 340 R HA -0.074 4.265 4.340 -0.002 0.000 0.232 340 R C 2.061 178.210 176.300 -0.251 0.000 1.126 340 R CA 1.444 57.414 56.100 -0.217 0.000 0.963 340 R CB -0.572 29.608 30.300 -0.199 0.000 0.858 340 R HN 0.393 nan 8.270 nan 0.000 0.435 341 V N 1.709 121.401 119.914 -0.370 0.000 2.332 341 V HA -0.232 3.887 4.120 -0.002 0.000 0.248 341 V C 2.219 178.177 176.094 -0.228 0.000 1.055 341 V CA 1.638 63.745 62.300 -0.322 0.000 1.038 341 V CB -0.385 31.197 31.823 -0.402 0.000 0.651 341 V HN 0.315 nan 8.190 nan 0.000 0.450 342 L N 0.110 121.183 121.223 -0.251 0.000 2.465 342 L HA 0.154 4.493 4.340 -0.002 0.000 0.224 342 L C 1.441 178.239 176.870 -0.121 0.000 1.145 342 L CA 1.063 55.793 54.840 -0.184 0.000 0.834 342 L CB -0.391 41.538 42.059 -0.217 0.000 0.944 342 L HN 0.598 nan 8.230 nan 0.000 0.451 343 G N -0.521 108.208 108.800 -0.119 0.000 2.245 343 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.116 343 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.116 343 G C -0.273 174.590 174.900 -0.061 0.000 1.054 343 G CA -0.456 44.597 45.100 -0.078 0.000 0.728 343 G HN 0.243 nan 8.290 nan 0.000 0.483 344 D N -1.296 119.054 120.400 -0.083 0.000 2.697 344 D HA -0.165 4.474 4.640 -0.002 0.000 0.238 344 D C 1.157 177.432 176.300 -0.041 0.000 1.152 344 D CA 1.428 55.388 54.000 -0.066 0.000 0.666 344 D CB -1.811 38.962 40.800 -0.044 0.000 1.037 344 D HN 1.674 nan 8.370 nan 0.000 0.423 345 V N -3.339 116.547 119.914 -0.046 0.000 3.036 345 V HA 0.703 4.822 4.120 -0.002 0.000 0.308 345 V C -2.023 174.063 176.094 -0.014 0.000 1.070 345 V CA -1.612 60.690 62.300 0.004 0.000 1.056 345 V CB 0.939 32.774 31.823 0.021 0.000 1.084 345 V HN -0.162 nan 8.190 nan 0.000 0.471 346 P HA 0.438 nan 4.420 nan 0.000 0.272 346 P C -0.762 176.511 177.300 -0.046 0.000 1.230 346 P CA 0.032 63.075 63.100 -0.095 0.000 0.788 346 P CB 0.360 31.970 31.700 -0.151 0.000 0.949 347 I N 2.118 122.634 120.570 -0.090 0.000 2.433 347 I HA 0.411 4.580 4.170 -0.002 0.000 0.292 347 I C -0.139 175.949 176.117 -0.048 0.000 1.001 347 I CA -0.543 60.743 61.300 -0.024 0.000 1.119 347 I CB 1.411 39.395 38.000 -0.025 0.000 1.289 347 I HN 0.096 nan 8.210 nan 0.000 0.438 348 I N 6.491 127.058 120.570 -0.005 0.000 2.418 348 I HA 0.205 4.374 4.170 -0.002 0.000 0.287 348 I C -0.560 175.619 176.117 0.104 0.000 1.008 348 I CA -0.841 60.471 61.300 0.020 0.000 1.104 348 I CB 1.954 39.975 38.000 0.035 0.000 1.264 348 I HN 0.345 nan 8.210 nan 0.000 0.438 349 L N 6.910 128.209 121.223 0.127 0.000 2.536 349 L HA 0.278 4.617 4.340 -0.002 0.000 0.282 349 L C 1.296 178.275 176.870 0.181 0.000 1.174 349 L CA 0.490 55.432 54.840 0.169 0.000 0.989 349 L CB 0.260 42.346 42.059 0.044 0.000 1.311 349 L HN 0.742 nan 8.230 nan 0.000 0.455 350 G N 4.083 113.034 108.800 0.252 0.000 2.443 350 G HA2 -0.070 3.889 3.960 -0.002 0.000 0.219 350 G HA3 -0.070 3.889 3.960 -0.002 0.000 0.219 350 G C 0.313 175.212 174.900 -0.002 0.000 1.131 350 G CA 0.274 45.519 45.100 0.241 0.000 0.775 350 G HN 0.610 nan 8.290 nan 0.000 0.547 351 E N -1.415 118.655 120.200 -0.217 0.000 2.335 351 E HA 0.510 4.859 4.350 -0.002 0.000 0.280 351 E C -1.707 174.748 176.600 -0.241 0.000 0.918 351 E CA -0.832 55.419 56.400 -0.249 0.000 0.765 351 E CB 2.564 31.950 29.700 -0.524 0.000 1.218 351 E HN 0.178 nan 8.360 nan 0.000 0.425 352 F N -0.079 119.597 119.950 -0.456 0.000 2.693 352 F HA 0.850 5.376 4.527 -0.001 0.000 0.309 352 F C -0.867 174.615 175.800 -0.529 0.000 1.129 352 F CA -0.386 57.200 58.000 -0.691 0.000 0.948 352 F CB 1.679 40.310 39.000 -0.616 0.000 1.315 352 F HN 0.553 nan 8.300 nan 0.000 0.447 353 G N 1.771 110.183 108.800 -0.647 0.000 2.387 353 G HA2 0.619 4.578 3.960 -0.002 0.000 0.294 353 G HA3 0.619 4.578 3.960 -0.002 0.000 0.294 353 G C -2.335 172.216 174.900 -0.582 0.000 1.509 353 G CA -0.354 44.292 45.100 -0.756 0.000 0.806 353 G HN 1.770 nan 8.290 nan 0.000 0.546 354 L N -1.984 118.720 121.223 -0.866 0.000 2.838 354 L HA 0.772 5.111 4.340 -0.002 0.000 0.266 354 L C -1.587 174.497 176.870 -1.311 0.000 1.040 354 L CA -1.182 52.850 54.840 -1.346 0.000 0.906 354 L CB 2.119 43.859 42.059 -0.532 0.000 1.501 354 L HN 0.519 nan 8.230 nan 0.000 0.407 355 D N 1.585 121.295 120.400 -1.150 0.000 2.363 355 D HA 0.074 4.713 4.640 -0.002 0.000 0.263 355 D C 1.250 177.450 176.300 -0.167 0.000 1.258 355 D CA 0.698 54.447 54.000 -0.419 0.000 0.907 355 D CB 1.582 42.359 40.800 -0.038 0.000 1.107 355 D HN 0.760 nan 8.370 nan 0.000 0.495 356 T N -0.297 114.227 114.554 -0.051 0.000 3.072 356 T HA -0.150 4.199 4.350 -0.002 0.000 0.266 356 T C 1.578 176.290 174.700 0.019 0.000 1.127 356 T CA 1.280 63.380 62.100 0.001 0.000 1.107 356 T CB -0.391 68.490 68.868 0.022 0.000 0.910 356 T HN 0.422 nan 8.240 nan 0.000 0.513 357 T N -0.203 114.368 114.554 0.029 0.000 3.100 357 T HA 0.340 4.689 4.350 -0.002 0.000 0.253 357 T C 0.677 175.399 174.700 0.035 0.000 1.118 357 T CA -0.431 61.693 62.100 0.039 0.000 1.058 357 T CB -0.634 68.267 68.868 0.055 0.000 0.953 357 T HN 0.395 nan 8.240 nan 0.000 0.515 358 L N 1.902 123.139 121.223 0.023 0.000 2.452 358 L HA 0.352 4.691 4.340 -0.002 0.000 0.267 358 L C -2.135 174.760 176.870 0.041 0.000 1.188 358 L CA -2.309 52.547 54.840 0.026 0.000 0.821 358 L CB -0.191 41.870 42.059 0.004 0.000 1.102 358 L HN -0.023 nan 8.230 nan 0.000 0.470 359 P HA 0.050 nan 4.420 nan 0.000 0.264 359 P C 0.702 178.057 177.300 0.092 0.000 1.193 359 P CA 0.608 63.741 63.100 0.055 0.000 0.763 359 P CB 0.690 32.414 31.700 0.040 0.000 0.810 360 G N 2.551 111.416 108.800 0.109 0.000 2.184 360 G HA2 -0.336 3.623 3.960 -0.002 0.000 0.264 360 G HA3 -0.336 3.623 3.960 -0.002 0.000 0.264 360 G C 1.165 176.203 174.900 0.230 0.000 0.975 360 G CA 0.480 45.697 45.100 0.194 0.000 0.642 360 G HN 0.683 nan 8.290 nan 0.000 0.536 361 A N 0.134 123.035 122.820 0.136 0.000 1.902 361 A HA 0.078 4.397 4.320 -0.002 0.000 0.217 361 A C 2.171 179.845 177.584 0.150 0.000 1.181 361 A CA 2.369 54.476 52.037 0.117 0.000 0.623 361 A CB -0.442 18.594 19.000 0.061 0.000 0.818 361 A HN 0.662 nan 8.150 nan 0.000 0.443 362 R N -0.345 120.224 120.500 0.116 0.000 2.081 362 R HA -0.151 4.188 4.340 -0.002 0.000 0.235 362 R C 1.455 177.822 176.300 0.112 0.000 1.131 362 R CA 1.789 57.947 56.100 0.098 0.000 0.960 362 R CB -0.307 30.032 30.300 0.065 0.000 0.856 362 R HN 0.432 nan 8.270 nan 0.000 0.436 363 D N -0.582 119.904 120.400 0.144 0.000 2.123 363 D HA -0.209 4.430 4.640 -0.002 0.000 0.196 363 D C 1.522 177.916 176.300 0.156 0.000 0.992 363 D CA 1.194 55.291 54.000 0.160 0.000 0.833 363 D CB -0.395 40.537 40.800 0.220 0.000 0.954 363 D HN 0.288 nan 8.370 nan 0.000 0.455 364 Y N 1.290 121.578 120.300 -0.019 0.000 2.114 364 Y HA -0.144 4.405 4.550 -0.002 0.000 0.284 364 Y C 2.189 178.067 175.900 -0.037 0.000 1.143 364 Y CA 1.207 59.170 58.100 -0.229 0.000 1.135 364 Y CB -0.537 37.604 38.460 -0.533 0.000 0.980 364 Y HN -0.095 nan 8.280 nan 0.000 0.499 365 I N 0.364 120.928 120.570 -0.009 0.000 2.163 365 I HA -0.322 3.847 4.170 -0.002 0.000 0.243 365 I C 2.327 178.513 176.117 0.115 0.000 1.085 365 I CA 1.929 63.308 61.300 0.131 0.000 1.347 365 I CB -0.432 37.745 38.000 0.295 0.000 1.044 365 I HN 0.318 nan 8.210 nan 0.000 0.408 366 E N 0.236 120.479 120.200 0.071 0.000 2.077 366 E HA -0.281 4.068 4.350 -0.002 0.000 0.193 366 E C 2.221 178.807 176.600 -0.023 0.000 0.989 366 E CA 1.100 57.532 56.400 0.054 0.000 0.800 366 E CB -0.120 29.602 29.700 0.036 0.000 0.746 366 E HN 0.307 nan 8.360 nan 0.000 0.452 367 R N 0.888 121.337 120.500 -0.086 0.000 2.073 367 R HA -0.140 4.199 4.340 -0.002 0.000 0.234 367 R C 2.153 178.294 176.300 -0.265 0.000 1.134 367 R CA 1.256 57.279 56.100 -0.129 0.000 0.952 367 R CB -0.486 29.771 30.300 -0.073 0.000 0.850 367 R HN -0.014 nan 8.270 nan 0.000 0.433 368 V N 0.097 119.705 119.914 -0.509 0.000 2.295 368 V HA -0.258 3.861 4.120 -0.002 0.000 0.246 368 V C 1.930 177.652 176.094 -0.620 0.000 1.049 368 V CA 1.924 63.742 62.300 -0.804 0.000 1.024 368 V CB -0.687 30.163 31.823 -1.622 0.000 0.648 368 V HN 0.342 nan 8.190 nan 0.000 0.447 369 Y N 1.277 121.363 120.300 -0.357 0.000 2.224 369 Y HA -0.078 4.471 4.550 -0.002 0.000 0.289 369 Y C 2.518 178.305 175.900 -0.188 0.000 1.146 369 Y CA 1.507 59.487 58.100 -0.201 0.000 1.182 369 Y CB -1.009 37.398 38.460 -0.090 0.000 0.983 369 Y HN 0.268 nan 8.280 nan 0.000 0.524 370 G N -1.158 107.605 108.800 -0.062 0.000 2.418 370 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.217 370 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.217 370 G C 1.742 176.562 174.900 -0.132 0.000 1.158 370 G CA 1.593 46.622 45.100 -0.118 0.000 0.771 370 G HN 0.324 nan 8.290 nan 0.000 0.545 371 T N 1.807 116.278 114.554 -0.138 0.000 2.708 371 T HA -0.016 4.333 4.350 -0.002 0.000 0.266 371 T C 2.835 177.493 174.700 -0.069 0.000 1.037 371 T CA 1.610 63.653 62.100 -0.096 0.000 1.146 371 T CB -0.475 68.335 68.868 -0.097 0.000 0.865 371 T HN 0.378 nan 8.240 nan 0.000 0.435 372 A N 1.876 124.627 122.820 -0.115 0.000 1.892 372 A HA -0.207 4.112 4.320 -0.002 0.000 0.218 372 A C 2.295 179.876 177.584 -0.005 0.000 1.188 372 A CA 2.197 54.200 52.037 -0.057 0.000 0.631 372 A CB -0.725 18.201 19.000 -0.123 0.000 0.822 372 A HN 0.473 nan 8.150 nan 0.000 0.447 373 R N -0.118 120.356 120.500 -0.045 0.000 2.091 373 R HA -0.193 4.146 4.340 -0.002 0.000 0.238 373 R C 2.005 178.247 176.300 -0.096 0.000 1.136 373 R CA 1.977 58.011 56.100 -0.109 0.000 0.959 373 R CB -0.326 29.685 30.300 -0.482 0.000 0.856 373 R HN 0.699 nan 8.270 nan 0.000 0.437 374 E N -0.134 120.003 120.200 -0.104 0.000 2.150 374 E HA -0.157 4.192 4.350 -0.002 0.000 0.193 374 E C 1.870 178.462 176.600 -0.014 0.000 0.985 374 E CA 1.357 57.720 56.400 -0.062 0.000 0.814 374 E CB -0.007 29.655 29.700 -0.064 0.000 0.752 374 E HN 0.449 nan 8.360 nan 0.000 0.466 375 M N -0.498 119.095 119.600 -0.013 0.000 2.618 375 M HA 0.100 4.579 4.480 -0.002 0.000 0.240 375 M C 1.042 177.305 176.300 -0.061 0.000 1.123 375 M CA 0.579 55.863 55.300 -0.026 0.000 1.060 375 M CB 0.476 33.067 32.600 -0.015 0.000 1.535 375 M HN 0.197 nan 8.290 nan 0.000 0.507 376 G N 1.509 110.310 108.800 0.001 0.000 2.249 376 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.273 376 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.273 376 G C 0.002 174.817 174.900 -0.142 0.000 1.036 376 G CA 0.183 45.255 45.100 -0.046 0.000 0.824 376 G HN 0.691 nan 8.290 nan 0.000 0.504 377 A N -0.301 122.508 122.820 -0.019 0.000 2.310 377 A HA 0.864 5.183 4.320 -0.002 0.000 0.299 377 A C 1.039 178.628 177.584 0.007 0.000 1.147 377 A CA 0.495 52.515 52.037 -0.029 0.000 0.818 377 A CB 0.968 19.978 19.000 0.017 0.000 1.096 377 A HN 1.698 nan 8.150 nan 0.000 0.495 378 G N -0.267 108.497 108.800 -0.061 0.000 2.569 378 G HA2 0.501 4.460 3.960 -0.002 0.000 0.249 378 G HA3 0.501 4.460 3.960 -0.002 0.000 0.249 378 G C -0.661 174.232 174.900 -0.011 0.000 1.216 378 G CA -0.179 44.854 45.100 -0.112 0.000 0.845 378 G HN 1.003 nan 8.290 nan 0.000 0.568 379 V N 0.467 120.419 119.914 0.062 0.000 2.623 379 V HA 0.504 4.623 4.120 -0.002 0.000 0.304 379 V C -0.233 176.062 176.094 0.336 0.000 1.054 379 V CA -0.898 61.497 62.300 0.158 0.000 0.882 379 V CB 1.864 33.740 31.823 0.089 0.000 1.002 379 V HN 0.992 nan 8.190 nan 0.000 0.424 380 S N 3.814 119.723 115.700 0.349 0.000 2.566 380 S HA 0.590 5.059 4.470 -0.002 0.000 0.324 380 S C -0.893 173.822 174.600 0.192 0.000 1.081 380 S CA -0.602 57.772 58.200 0.290 0.000 1.105 380 S CB 0.725 64.079 63.200 0.257 0.000 0.981 380 S HN 0.677 nan 8.310 nan 0.000 0.464 381 Y N 3.925 124.201 120.300 -0.040 0.000 2.511 381 Y HA 0.190 4.739 4.550 -0.002 0.000 0.332 381 Y C 0.022 175.991 175.900 0.116 0.000 1.177 381 Y CA -0.282 57.746 58.100 -0.119 0.000 1.422 381 Y CB 0.485 38.745 38.460 -0.334 0.000 1.271 381 Y HN 0.839 nan 8.280 nan 0.000 0.550 382 W N 8.863 129.848 121.300 -0.525 0.000 2.367 382 W HA 0.428 5.087 4.660 -0.002 0.000 0.329 382 W C -1.068 175.468 176.519 0.027 0.000 1.066 382 W CA 0.001 57.270 57.345 -0.127 0.000 1.435 382 W CB 0.597 30.070 29.460 0.021 0.000 1.296 382 W HN 0.791 nan 8.180 nan 0.000 0.401 383 S N 1.529 117.246 115.700 0.027 0.000 2.757 383 S HA 0.262 4.731 4.470 -0.002 0.000 0.285 383 S C 0.608 175.260 174.600 0.087 0.000 1.196 383 S CA 0.002 58.092 58.200 -0.185 0.000 0.856 383 S CB 1.204 63.672 63.200 -1.219 0.000 1.212 383 S HN 0.347 nan 8.310 nan 0.000 0.516 384 S N -0.460 115.164 115.700 -0.127 0.000 2.522 384 S HA 0.129 4.598 4.470 -0.002 0.000 0.227 384 S C -0.040 174.473 174.600 -0.145 0.000 0.986 384 S CA 0.340 58.363 58.200 -0.296 0.000 0.929 384 S CB -1.082 61.896 63.200 -0.370 0.000 0.769 384 S HN 0.702 nan 8.310 nan 0.000 0.529 385 D N 4.304 124.600 120.400 -0.174 0.000 2.449 385 D HA 0.205 4.844 4.640 -0.002 0.000 0.236 385 D C -2.344 173.943 176.300 -0.021 0.000 1.149 385 D CA -0.621 53.312 54.000 -0.111 0.000 0.878 385 D CB 0.265 40.943 40.800 -0.202 0.000 1.198 385 D HN 0.253 nan 8.370 nan 0.000 0.446 386 P HA 0.220 nan 4.420 nan 0.000 0.265 386 P C 0.160 177.487 177.300 0.046 0.000 1.193 386 P CA -0.010 63.119 63.100 0.048 0.000 0.765 386 P CB 0.864 32.584 31.700 0.032 0.000 0.823 387 G N 3.602 112.452 108.800 0.084 0.000 2.369 387 G HA2 0.046 4.005 3.960 -0.002 0.000 0.307 387 G HA3 0.046 4.005 3.960 -0.002 0.000 0.307 387 G C -2.710 172.289 174.900 0.166 0.000 1.327 387 G CA -0.614 44.552 45.100 0.110 0.000 0.963 387 G HN 0.231 nan 8.290 nan 0.000 0.590 388 P HA 0.016 nan 4.420 nan 0.000 0.226 388 P C 1.060 178.538 177.300 0.297 0.000 1.153 388 P CA 1.009 64.240 63.100 0.218 0.000 0.777 388 P CB 0.130 31.955 31.700 0.209 0.000 0.794 389 W N 1.300 122.671 121.300 0.119 0.000 2.436 389 W HA 0.147 4.806 4.660 -0.001 0.000 0.284 389 W C 1.836 178.502 176.519 0.244 0.000 1.225 389 W CA 1.424 58.887 57.345 0.196 0.000 1.271 389 W CB -1.054 28.524 29.460 0.197 0.000 1.114 389 W HN -0.103 nan 8.180 nan 0.000 0.559 390 G N -0.204 108.807 108.800 0.351 0.000 2.537 390 G HA2 0.233 4.192 3.960 -0.002 0.000 0.297 390 G HA3 0.233 4.192 3.960 -0.002 0.000 0.297 390 G C -1.732 173.164 174.900 -0.006 0.000 1.310 390 G CA -0.676 44.541 45.100 0.195 0.000 1.027 390 G HN -0.195 nan 8.290 nan 0.000 0.505 391 P HA 0.033 nan 4.420 nan 0.000 0.222 391 P C -0.685 176.173 177.300 -0.736 0.000 1.153 391 P CA 1.039 63.834 63.100 -0.507 0.000 0.798 391 P CB 0.149 31.409 31.700 -0.733 0.000 0.796 392 Y N -1.261 119.022 120.300 -0.028 0.000 2.477 392 Y HA 0.392 4.941 4.550 -0.001 0.000 0.347 392 Y C 0.775 176.678 175.900 0.006 0.000 0.981 392 Y CA -1.304 56.789 58.100 -0.013 0.000 1.033 392 Y CB 1.196 39.637 38.460 -0.031 0.000 1.245 392 Y HN -0.320 nan 8.280 nan 0.000 0.455 393 L N 3.926 125.243 121.223 0.157 0.000 2.466 393 L HA 0.219 4.558 4.340 -0.002 0.000 0.257 393 L C -1.414 175.510 176.870 0.091 0.000 1.189 393 L CA -1.644 53.259 54.840 0.105 0.000 0.813 393 L CB 0.566 42.674 42.059 0.081 0.000 1.118 393 L HN 0.447 nan 8.230 nan 0.000 0.471 394 P HA -0.198 nan 4.420 nan 0.000 0.217 394 P C 0.566 177.876 177.300 0.017 0.000 1.148 394 P CA 1.246 64.365 63.100 0.032 0.000 0.834 394 P CB -0.032 31.681 31.700 0.023 0.000 0.783 395 D N -2.326 118.088 120.400 0.024 0.000 2.349 395 D HA 0.078 4.717 4.640 -0.002 0.000 0.224 395 D C 1.454 177.758 176.300 0.007 0.000 1.029 395 D CA 0.701 54.707 54.000 0.011 0.000 0.879 395 D CB -0.824 39.986 40.800 0.017 0.000 0.906 395 D HN 0.250 nan 8.370 nan 0.000 0.528 396 G N -0.537 108.277 108.800 0.023 0.000 2.213 396 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.236 396 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.236 396 G C 0.480 175.445 174.900 0.110 0.000 0.991 396 G CA 0.172 45.279 45.100 0.012 0.000 0.629 396 G HN 0.458 nan 8.290 nan 0.000 0.517 397 T N 2.262 116.878 114.554 0.104 0.000 2.934 397 T HA 0.361 4.710 4.350 -0.002 0.000 0.306 397 T C 0.564 175.361 174.700 0.163 0.000 1.042 397 T CA 0.407 62.574 62.100 0.112 0.000 1.145 397 T CB 0.933 69.843 68.868 0.070 0.000 0.982 397 T HN 0.461 nan 8.240 nan 0.000 0.544 398 Q N 1.973 121.855 119.800 0.136 0.000 2.314 398 Q HA 0.281 4.620 4.340 -0.002 0.000 0.258 398 Q C 0.998 176.986 176.000 -0.020 0.000 0.954 398 Q CA -0.460 55.366 55.803 0.038 0.000 0.890 398 Q CB 0.697 29.448 28.738 0.022 0.000 1.210 398 Q HN 0.820 nan 8.270 nan 0.000 0.410 399 T N -1.211 113.289 114.554 -0.090 0.000 2.770 399 T HA 0.150 4.499 4.350 -0.002 0.000 0.281 399 T C 1.109 175.772 174.700 -0.062 0.000 0.981 399 T CA -0.757 61.312 62.100 -0.051 0.000 0.955 399 T CB 0.475 69.318 68.868 -0.042 0.000 1.060 399 T HN 0.717 nan 8.240 nan 0.000 0.531 400 L N 0.087 121.291 121.223 -0.032 0.000 2.261 400 L HA 0.004 4.343 4.340 -0.002 0.000 0.216 400 L C 2.165 179.003 176.870 -0.054 0.000 1.114 400 L CA 1.180 56.004 54.840 -0.027 0.000 0.777 400 L CB -0.593 41.465 42.059 -0.002 0.000 0.910 400 L HN 0.655 nan 8.230 nan 0.000 0.440 401 L N -0.544 120.624 121.223 -0.092 0.000 2.083 401 L HA -0.164 4.175 4.340 -0.002 0.000 0.209 401 L C 2.312 179.101 176.870 -0.134 0.000 1.083 401 L CA 1.656 56.410 54.840 -0.143 0.000 0.752 401 L CB -0.425 41.508 42.059 -0.210 0.000 0.899 401 L HN 0.124 nan 8.230 nan 0.000 0.433 402 V N -0.337 119.494 119.914 -0.138 0.000 2.261 402 V HA -0.300 3.819 4.120 -0.002 0.000 0.246 402 V C 2.169 178.236 176.094 -0.045 0.000 1.047 402 V CA 2.085 64.322 62.300 -0.106 0.000 1.015 402 V CB -0.734 31.008 31.823 -0.135 0.000 0.642 402 V HN 0.431 nan 8.190 nan 0.000 0.446 403 D N -0.385 119.995 120.400 -0.033 0.000 2.178 403 D HA -0.099 4.540 4.640 -0.002 0.000 0.202 403 D C 2.271 178.560 176.300 -0.018 0.000 0.974 403 D CA 1.490 55.486 54.000 -0.006 0.000 0.841 403 D CB -0.380 40.421 40.800 0.002 0.000 0.953 403 D HN 0.405 nan 8.370 nan 0.000 0.478 404 T N 0.749 115.275 114.554 -0.047 0.000 2.746 404 T HA -0.035 4.314 4.350 -0.002 0.000 0.267 404 T C 2.023 176.642 174.700 -0.134 0.000 1.039 404 T CA 0.617 62.676 62.100 -0.069 0.000 1.142 404 T CB -0.085 68.743 68.868 -0.066 0.000 0.866 404 T HN 0.155 nan 8.240 nan 0.000 0.444 405 L N 0.714 121.836 121.223 -0.167 0.000 2.341 405 L HA 0.164 4.503 4.340 -0.002 0.000 0.214 405 L C 1.176 177.985 176.870 -0.102 0.000 1.115 405 L CA 0.319 55.007 54.840 -0.253 0.000 0.820 405 L CB -0.436 41.467 42.059 -0.260 0.000 0.944 405 L HN 0.167 nan 8.230 nan 0.000 0.452 406 N N 1.810 120.513 118.700 0.004 0.000 2.895 406 N HA 0.059 4.798 4.740 -0.002 0.000 0.277 406 N C -0.685 174.938 175.510 0.189 0.000 1.185 406 N CA 0.297 53.428 53.050 0.134 0.000 1.106 406 N CB 0.141 38.708 38.487 0.134 0.000 1.422 406 N HN -0.010 nan 8.380 nan 0.000 0.521 407 K N 1.509 122.050 120.400 0.234 0.000 2.395 407 K HA 0.558 4.877 4.320 -0.002 0.000 0.247 407 K C -2.727 174.103 176.600 0.382 0.000 0.973 407 K CA -2.134 54.299 56.287 0.243 0.000 0.828 407 K CB 1.066 33.667 32.500 0.169 0.000 1.272 407 K HN 0.152 nan 8.250 nan 0.000 0.439 408 P HA 0.132 nan 4.420 nan 0.000 0.271 408 P C -1.116 176.398 177.300 0.357 0.000 1.216 408 P CA 0.115 63.328 63.100 0.187 0.000 0.776 408 P CB 0.083 31.811 31.700 0.047 0.000 0.881 409 Y N 0.341 120.662 120.300 0.035 0.000 2.581 409 Y HA 0.696 5.245 4.550 -0.002 0.000 0.337 409 Y C -3.232 172.463 175.900 -0.341 0.000 1.108 409 Y CA -3.722 54.237 58.100 -0.235 0.000 1.033 409 Y CB 0.193 38.569 38.460 -0.140 0.000 1.318 409 Y HN 0.153 nan 8.280 nan 0.000 0.459 410 P HA 0.404 nan 4.420 nan 0.000 0.282 410 P C -0.242 176.806 177.300 -0.421 0.000 1.262 410 P CA -0.191 62.583 63.100 -0.544 0.000 0.773 410 P CB 1.487 32.823 31.700 -0.607 0.000 0.879 411 R N 2.661 122.930 120.500 -0.386 0.000 2.075 411 R HA 0.355 4.694 4.340 -0.002 0.000 0.220 411 R C 0.336 176.555 176.300 -0.135 0.000 1.118 411 R CA 0.766 56.732 56.100 -0.224 0.000 0.986 411 R CB 0.209 30.368 30.300 -0.235 0.000 0.884 411 R HN 0.496 nan 8.270 nan 0.000 0.439 412 A N 0.800 123.524 122.820 -0.161 0.000 2.442 412 A HA 0.479 4.798 4.320 -0.002 0.000 0.284 412 A C -1.076 176.415 177.584 -0.155 0.000 1.058 412 A CA -0.603 51.353 52.037 -0.134 0.000 0.738 412 A CB 1.524 20.473 19.000 -0.085 0.000 1.242 412 A HN -0.031 nan 8.150 nan 0.000 0.421 413 V N 1.897 121.700 119.914 -0.185 0.000 2.427 413 V HA 0.576 4.695 4.120 -0.002 0.000 0.286 413 V C 0.966 176.977 176.094 -0.138 0.000 1.034 413 V CA -0.097 62.093 62.300 -0.184 0.000 0.893 413 V CB 1.557 33.233 31.823 -0.245 0.000 0.982 413 V HN 1.210 nan 8.190 nan 0.000 0.452 414 A N 4.206 126.964 122.820 -0.104 0.000 3.026 414 A HA 0.661 4.980 4.320 -0.002 0.000 0.272 414 A C 0.896 178.438 177.584 -0.070 0.000 1.782 414 A CA 0.707 52.700 52.037 -0.073 0.000 1.451 414 A CB -1.100 17.866 19.000 -0.057 0.000 1.081 414 A HN 1.755 nan 8.150 nan 0.000 0.611 415 G N -0.269 108.483 108.800 -0.080 0.000 2.347 415 G HA2 0.252 4.211 3.960 -0.002 0.000 0.477 415 G HA3 0.252 4.211 3.960 -0.002 0.000 0.477 415 G C -0.557 174.273 174.900 -0.117 0.000 1.349 415 G CA -0.503 44.555 45.100 -0.071 0.000 1.000 415 G HN 0.553 nan 8.290 nan 0.000 0.605 416 T N 3.458 117.964 114.554 -0.081 0.000 2.729 416 T HA 0.561 4.910 4.350 -0.002 0.000 0.296 416 T C -2.253 172.386 174.700 -0.101 0.000 0.928 416 T CA -0.606 61.431 62.100 -0.105 0.000 1.045 416 T CB 1.471 70.357 68.868 0.030 0.000 0.902 416 T HN 0.477 nan 8.240 nan 0.000 0.500 417 P HA 0.135 nan 4.420 nan 0.000 0.271 417 P C 0.988 178.354 177.300 0.110 0.000 1.220 417 P CA -0.238 62.834 63.100 -0.045 0.000 0.768 417 P CB 0.734 32.390 31.700 -0.074 0.000 0.848 418 T N 0.060 114.683 114.554 0.115 0.000 3.031 418 T HA 0.076 4.425 4.350 -0.002 0.000 0.254 418 T C 0.415 175.201 174.700 0.142 0.000 1.060 418 T CA 0.318 62.491 62.100 0.123 0.000 1.135 418 T CB -0.141 68.775 68.868 0.079 0.000 0.896 418 T HN 0.615 nan 8.240 nan 0.000 0.472 419 E N -0.404 119.898 120.200 0.171 0.000 2.401 419 E HA 0.506 4.855 4.350 -0.002 0.000 0.280 419 E C -1.635 175.144 176.600 0.299 0.000 1.039 419 E CA -1.468 55.032 56.400 0.166 0.000 0.814 419 E CB 0.910 30.653 29.700 0.071 0.000 1.275 419 E HN 0.488 nan 8.360 nan 0.000 0.448 420 W N 0.392 121.717 121.300 0.041 0.000 3.005 420 W HA 0.719 5.378 4.660 -0.002 0.000 0.343 420 W C -1.729 174.817 176.519 0.045 0.000 1.243 420 W CA -0.589 56.778 57.345 0.037 0.000 1.186 420 W CB 0.824 30.307 29.460 0.039 0.000 1.453 420 W HN 1.005 nan 8.180 nan 0.000 0.575 421 S N 0.772 116.625 115.700 0.255 0.000 2.550 421 S HA 0.779 5.248 4.470 -0.002 0.000 0.270 421 S C -0.962 173.799 174.600 0.269 0.000 1.145 421 S CA -0.400 57.840 58.200 0.067 0.000 0.852 421 S CB 1.740 64.956 63.200 0.026 0.000 1.119 421 S HN 1.327 nan 8.310 nan 0.000 0.465 422 S N 0.272 116.089 115.700 0.195 0.000 2.537 422 S HA 0.866 5.335 4.470 -0.002 0.000 0.270 422 S C -0.418 174.268 174.600 0.143 0.000 1.142 422 S CA -0.190 58.151 58.200 0.235 0.000 0.870 422 S CB 1.358 64.782 63.200 0.373 0.000 1.112 422 S HN 1.653 nan 8.310 nan 0.000 0.466 423 T N -1.022 113.610 114.554 0.131 0.000 2.807 423 T HA 0.590 4.939 4.350 -0.002 0.000 0.277 423 T C 1.449 176.213 174.700 0.106 0.000 1.006 423 T CA -0.045 62.107 62.100 0.086 0.000 1.006 423 T CB 0.831 69.727 68.868 0.047 0.000 1.274 423 T HN 1.305 nan 8.240 nan 0.000 0.569 424 S N 0.143 115.880 115.700 0.062 0.000 2.419 424 S HA -0.105 4.364 4.470 -0.002 0.000 0.233 424 S C 0.932 175.548 174.600 0.027 0.000 1.016 424 S CA 1.318 59.556 58.200 0.064 0.000 0.974 424 S CB -0.712 62.503 63.200 0.025 0.000 0.786 424 S HN 0.930 nan 8.310 nan 0.000 0.492 425 D N -0.106 120.248 120.400 -0.076 0.000 2.650 425 D HA 0.273 4.912 4.640 -0.002 0.000 0.265 425 D C 0.129 176.298 176.300 -0.217 0.000 1.339 425 D CA -0.440 53.330 54.000 -0.383 0.000 0.816 425 D CB -0.125 40.436 40.800 -0.398 0.000 1.091 425 D HN 0.397 nan 8.370 nan 0.000 0.483 426 R N -0.009 120.561 120.500 0.117 0.000 2.561 426 R HA 0.505 4.844 4.340 -0.002 0.000 0.266 426 R C -2.343 174.100 176.300 0.239 0.000 1.091 426 R CA -0.823 55.393 56.100 0.195 0.000 0.927 426 R CB 1.475 31.823 30.300 0.080 0.000 1.240 426 R HN 0.093 nan 8.270 nan 0.000 0.449 427 L N 2.889 124.240 121.223 0.213 0.000 2.409 427 L HA 0.507 4.846 4.340 -0.002 0.000 0.272 427 L C -1.472 175.466 176.870 0.114 0.000 0.980 427 L CA -0.119 54.814 54.840 0.154 0.000 0.826 427 L CB 2.038 44.130 42.059 0.056 0.000 1.268 427 L HN 0.748 nan 8.230 nan 0.000 0.407 428 Q N 3.825 123.716 119.800 0.150 0.000 2.356 428 Q HA 0.731 5.070 4.340 -0.002 0.000 0.270 428 Q C -2.091 174.013 176.000 0.173 0.000 1.058 428 Q CA -0.820 55.055 55.803 0.120 0.000 0.802 428 Q CB 2.357 31.156 28.738 0.103 0.000 1.303 428 Q HN 0.732 nan 8.270 nan 0.000 0.444 429 L N 2.059 123.348 121.223 0.111 0.000 2.464 429 L HA 0.611 4.950 4.340 -0.002 0.000 0.266 429 L C -1.543 175.369 176.870 0.070 0.000 0.965 429 L CA 0.111 55.024 54.840 0.122 0.000 0.833 429 L CB 2.644 44.708 42.059 0.008 0.000 1.296 429 L HN 0.596 nan 8.230 nan 0.000 0.405 430 T N 6.046 120.655 114.554 0.091 0.000 2.797 430 T HA 0.698 5.047 4.350 -0.002 0.000 0.279 430 T C -0.367 174.354 174.700 0.035 0.000 0.991 430 T CA -0.125 62.007 62.100 0.053 0.000 0.979 430 T CB 0.905 69.808 68.868 0.058 0.000 0.943 430 T HN 0.465 nan 8.240 nan 0.000 0.444 431 I N 2.271 122.845 120.570 0.007 0.000 2.436 431 I HA 0.319 4.488 4.170 -0.002 0.000 0.289 431 I C 0.266 176.379 176.117 -0.006 0.000 1.010 431 I CA -0.824 60.467 61.300 -0.016 0.000 1.098 431 I CB 2.159 40.135 38.000 -0.040 0.000 1.266 431 I HN 0.513 nan 8.210 nan 0.000 0.434 432 E N 7.810 128.008 120.200 -0.003 0.000 2.166 432 E HA 0.172 4.521 4.350 -0.002 0.000 0.279 432 E C -2.171 174.424 176.600 -0.007 0.000 1.095 432 E CA -1.633 54.769 56.400 0.003 0.000 0.888 432 E CB 0.659 30.369 29.700 0.016 0.000 1.041 432 E HN 0.270 nan 8.360 nan 0.000 0.414 433 P HA 0.024 nan 4.420 nan 0.000 0.272 433 P C -0.716 176.580 177.300 -0.007 0.000 1.223 433 P CA -0.001 63.093 63.100 -0.011 0.000 0.784 433 P CB 0.783 32.478 31.700 -0.008 0.000 0.923 434 D N 1.157 121.551 120.400 -0.010 0.000 2.358 434 D HA 0.329 4.968 4.640 -0.002 0.000 0.253 434 D C 0.944 177.240 176.300 -0.006 0.000 1.288 434 D CA -0.722 53.275 54.000 -0.005 0.000 0.950 434 D CB 1.147 41.944 40.800 -0.004 0.000 1.197 434 D HN 0.227 nan 8.370 nan 0.000 0.550 435 A N 3.043 125.861 122.820 -0.003 0.000 2.024 435 A HA -0.020 4.299 4.320 -0.002 0.000 0.220 435 A C 2.014 179.597 177.584 -0.002 0.000 1.164 435 A CA 1.807 53.842 52.037 -0.004 0.000 0.643 435 A CB -0.227 18.771 19.000 -0.002 0.000 0.806 435 A HN 0.587 nan 8.150 nan 0.000 0.451 436 A N -0.507 122.313 122.820 0.001 0.000 2.067 436 A HA 0.192 4.511 4.320 -0.002 0.000 0.219 436 A C 0.969 178.554 177.584 0.002 0.000 1.158 436 A CA 0.389 52.428 52.037 0.003 0.000 0.661 436 A CB -0.394 18.610 19.000 0.007 0.000 0.801 436 A HN 0.477 nan 8.150 nan 0.000 0.452 437 I N 1.005 121.574 120.570 -0.002 0.000 2.352 437 I HA 0.102 4.271 4.170 -0.002 0.000 0.290 437 I C 1.492 177.604 176.117 -0.009 0.000 1.036 437 I CA 0.204 61.500 61.300 -0.006 0.000 1.336 437 I CB 1.549 39.541 38.000 -0.013 0.000 1.407 437 I HN 0.307 nan 8.210 nan 0.000 0.497 438 T N 1.679 116.229 114.554 -0.006 0.000 2.990 438 T HA 0.280 4.629 4.350 -0.002 0.000 0.249 438 T C 0.889 175.583 174.700 -0.011 0.000 1.039 438 T CA -0.099 61.997 62.100 -0.008 0.000 1.036 438 T CB 0.239 69.105 68.868 -0.003 0.000 0.994 438 T HN 0.557 nan 8.240 nan 0.000 0.489 439 A N 3.906 126.720 122.820 -0.010 0.000 2.483 439 A HA 0.537 4.856 4.320 -0.002 0.000 0.238 439 A C -2.083 175.486 177.584 -0.024 0.000 1.070 439 A CA -1.170 50.859 52.037 -0.014 0.000 0.770 439 A CB -0.199 18.794 19.000 -0.011 0.000 1.008 439 A HN 0.367 nan 8.150 nan 0.000 0.497 440 P HA 0.215 nan 4.420 nan 0.000 0.276 440 P C -0.230 177.037 177.300 -0.054 0.000 1.244 440 P CA -0.224 62.853 63.100 -0.037 0.000 0.801 440 P CB 0.406 32.088 31.700 -0.030 0.000 1.006 441 T N 1.443 115.955 114.554 -0.071 0.000 2.916 441 T HA 0.084 4.433 4.350 -0.002 0.000 0.303 441 T C 0.177 174.816 174.700 -0.102 0.000 1.025 441 T CA 0.364 62.405 62.100 -0.099 0.000 1.142 441 T CB -0.037 68.763 68.868 -0.115 0.000 0.947 441 T HN 0.425 nan 8.240 nan 0.000 0.544 442 E N 3.110 123.239 120.200 -0.120 0.000 2.176 442 E HA 0.535 4.884 4.350 -0.002 0.000 0.267 442 E C -1.178 175.314 176.600 -0.179 0.000 0.893 442 E CA -0.605 55.728 56.400 -0.113 0.000 0.761 442 E CB 0.859 30.510 29.700 -0.083 0.000 1.133 442 E HN 0.525 nan 8.360 nan 0.000 0.409 443 I N 4.210 124.674 120.570 -0.178 0.000 2.533 443 I HA 0.205 4.374 4.170 -0.002 0.000 0.290 443 I C -1.118 174.876 176.117 -0.205 0.000 1.056 443 I CA -1.084 60.057 61.300 -0.265 0.000 1.057 443 I CB 1.565 39.394 38.000 -0.286 0.000 1.240 443 I HN 0.570 nan 8.210 nan 0.000 0.423 444 Y N 7.316 127.344 120.300 -0.453 0.000 2.335 444 Y HA 0.605 5.154 4.550 -0.002 0.000 0.331 444 Y C -1.208 174.546 175.900 -0.244 0.000 1.094 444 Y CA -0.439 57.471 58.100 -0.317 0.000 1.253 444 Y CB 0.671 38.861 38.460 -0.450 0.000 1.203 444 Y HN 0.349 nan 8.280 nan 0.000 0.508 445 L N 9.605 130.304 121.223 -0.873 0.000 2.372 445 L HA 0.443 4.782 4.340 -0.002 0.000 0.274 445 L C -2.449 173.936 176.870 -0.809 0.000 0.988 445 L CA -2.265 52.039 54.840 -0.894 0.000 0.833 445 L CB 2.069 43.530 42.059 -0.997 0.000 1.236 445 L HN 0.544 nan 8.230 nan 0.000 0.410 446 P HA 0.032 nan 4.420 nan 0.000 0.271 446 P C 0.246 177.604 177.300 0.097 0.000 1.216 446 P CA -0.126 62.857 63.100 -0.196 0.000 0.776 446 P CB 1.316 33.040 31.700 0.040 0.000 0.881 447 E N 2.643 122.917 120.200 0.123 0.000 2.110 447 E HA -0.201 4.148 4.350 -0.002 0.000 0.193 447 E C 1.922 178.602 176.600 0.133 0.000 0.988 447 E CA 1.294 57.788 56.400 0.157 0.000 0.804 447 E CB -0.381 29.389 29.700 0.117 0.000 0.745 447 E HN 0.495 nan 8.360 nan 0.000 0.458 448 A N 0.643 123.527 122.820 0.106 0.000 1.881 448 A HA -0.227 4.092 4.320 -0.002 0.000 0.219 448 A C 2.373 179.977 177.584 0.033 0.000 1.215 448 A CA 2.244 54.322 52.037 0.068 0.000 0.648 448 A CB -1.317 17.724 19.000 0.067 0.000 0.832 448 A HN 0.464 nan 8.150 nan 0.000 0.455 449 G N -3.128 105.695 108.800 0.038 0.000 2.744 449 G HA2 0.324 4.283 3.960 -0.002 0.000 0.211 449 G HA3 0.324 4.283 3.960 -0.002 0.000 0.211 449 G C 0.206 174.877 174.900 -0.382 0.000 1.146 449 G CA 0.135 45.142 45.100 -0.155 0.000 0.787 449 G HN 0.345 nan 8.290 nan 0.000 0.534 450 F N 1.144 121.096 119.950 0.003 0.000 2.523 450 F HA 0.330 4.856 4.527 -0.002 0.000 0.322 450 F C -1.528 174.333 175.800 0.101 0.000 1.361 450 F CA -2.268 55.747 58.000 0.025 0.000 1.151 450 F CB 2.085 41.071 39.000 -0.023 0.000 1.391 450 F HN -0.064 nan 8.300 nan 0.000 0.566 451 P HA 0.066 nan 4.420 nan 0.000 0.233 451 P C 0.921 178.318 177.300 0.160 0.000 1.167 451 P CA 0.902 64.084 63.100 0.137 0.000 0.770 451 P CB 0.841 32.580 31.700 0.066 0.000 0.837 452 G N -0.679 108.244 108.800 0.206 0.000 3.190 452 G HA2 0.156 4.115 3.960 -0.002 0.000 0.191 452 G HA3 0.156 4.115 3.960 -0.002 0.000 0.191 452 G C -1.016 174.101 174.900 0.361 0.000 1.523 452 G CA 0.047 45.277 45.100 0.217 0.000 0.842 452 G HN 0.086 nan 8.290 nan 0.000 0.782 453 D N 0.057 120.619 120.400 0.270 0.000 2.340 453 D HA 0.456 5.095 4.640 -0.002 0.000 0.251 453 D C 0.462 176.845 176.300 0.138 0.000 1.080 453 D CA -0.182 53.985 54.000 0.277 0.000 0.971 453 D CB 1.704 42.611 40.800 0.178 0.000 1.137 453 D HN 0.472 nan 8.370 nan 0.000 0.475 454 V N 0.279 120.160 119.914 -0.056 0.000 2.732 454 V HA 0.512 4.631 4.120 -0.002 0.000 0.310 454 V C -0.548 175.533 176.094 -0.021 0.000 1.053 454 V CA -0.599 61.603 62.300 -0.163 0.000 0.957 454 V CB 1.699 33.145 31.823 -0.630 0.000 1.018 454 V HN 0.672 nan 8.190 nan 0.000 0.452 455 H N 2.257 121.288 119.070 -0.065 0.000 2.547 455 H HA 0.725 5.280 4.556 -0.002 0.000 0.342 455 H C -1.858 173.435 175.328 -0.060 0.000 1.048 455 H CA -0.414 55.606 56.048 -0.046 0.000 1.204 455 H CB 2.049 31.801 29.762 -0.018 0.000 1.493 455 H HN 0.665 nan 8.280 nan 0.000 0.511 456 V N 5.692 125.334 119.914 -0.455 0.000 2.483 456 V HA 0.212 4.331 4.120 -0.002 0.000 0.297 456 V C -0.340 175.570 176.094 -0.306 0.000 1.027 456 V CA -0.846 61.289 62.300 -0.276 0.000 0.855 456 V CB 1.790 33.483 31.823 -0.216 0.000 0.995 456 V HN 0.712 nan 8.190 nan 0.000 0.424 457 E N 2.473 122.590 120.200 -0.138 0.000 2.191 457 E HA 0.621 4.970 4.350 -0.002 0.000 0.274 457 E C 0.945 177.514 176.600 -0.051 0.000 0.948 457 E CA 0.278 56.633 56.400 -0.075 0.000 0.802 457 E CB 1.797 31.509 29.700 0.020 0.000 1.137 457 E HN 0.977 nan 8.360 nan 0.000 0.397 458 G N 1.234 110.006 108.800 -0.046 0.000 2.175 458 G HA2 -0.142 3.817 3.960 -0.002 0.000 0.244 458 G HA3 -0.142 3.817 3.960 -0.002 0.000 0.244 458 G C 0.199 175.072 174.900 -0.046 0.000 0.982 458 G CA 0.177 45.256 45.100 -0.035 0.000 0.641 458 G HN 0.859 nan 8.290 nan 0.000 0.527 459 A N -0.664 122.117 122.820 -0.065 0.000 2.606 459 A HA 0.663 4.982 4.320 -0.002 0.000 0.293 459 A C -1.498 176.040 177.584 -0.077 0.000 1.082 459 A CA -0.359 51.638 52.037 -0.067 0.000 0.685 459 A CB 1.208 20.163 19.000 -0.075 0.000 1.284 459 A HN 0.112 nan 8.150 nan 0.000 0.408 460 D N 1.071 121.433 120.400 -0.063 0.000 2.198 460 D HA 0.416 5.055 4.640 -0.002 0.000 0.245 460 D C -0.319 175.946 176.300 -0.058 0.000 1.079 460 D CA -0.003 53.962 54.000 -0.059 0.000 0.854 460 D CB 1.905 42.681 40.800 -0.040 0.000 1.148 460 D HN 0.194 nan 8.370 nan 0.000 0.456 461 V N 2.876 122.753 119.914 -0.060 0.000 2.427 461 V HA -0.002 4.117 4.120 -0.002 0.000 0.268 461 V C 1.640 177.726 176.094 -0.012 0.000 1.046 461 V CA -0.211 62.061 62.300 -0.046 0.000 0.970 461 V CB 1.062 32.854 31.823 -0.051 0.000 1.001 461 V HN 0.493 nan 8.190 nan 0.000 0.476 462 V N 2.277 122.188 119.914 -0.005 0.000 3.354 462 V HA 0.607 4.726 4.120 -0.002 0.000 0.258 462 V C 0.791 176.903 176.094 0.030 0.000 1.159 462 V CA 0.958 63.262 62.300 0.007 0.000 1.125 462 V CB -0.002 31.820 31.823 -0.002 0.000 0.774 462 V HN 0.884 nan 8.190 nan 0.000 0.464 463 G N -1.093 107.741 108.800 0.057 0.000 2.733 463 G HA2 0.439 4.398 3.960 -0.002 0.000 0.297 463 G HA3 0.439 4.398 3.960 -0.002 0.000 0.297 463 G C -2.209 172.818 174.900 0.212 0.000 1.452 463 G CA -0.400 44.758 45.100 0.097 0.000 0.940 463 G HN 0.420 nan 8.290 nan 0.000 0.547 464 W N 3.840 125.119 121.300 -0.035 0.000 2.664 464 W HA 0.432 5.092 4.660 -0.001 0.000 0.314 464 W C -1.888 174.617 176.519 -0.023 0.000 1.010 464 W CA -0.774 56.547 57.345 -0.040 0.000 1.306 464 W CB 1.798 31.232 29.460 -0.042 0.000 1.254 464 W HN 0.483 nan 8.180 nan 0.000 0.404 465 D N 4.987 125.172 120.400 -0.358 0.000 2.412 465 D HA 0.239 4.878 4.640 -0.002 0.000 0.224 465 D C 1.032 176.810 176.300 -0.870 0.000 1.093 465 D CA -0.102 53.616 54.000 -0.469 0.000 0.850 465 D CB 1.163 41.856 40.800 -0.178 0.000 1.046 465 D HN 0.516 nan 8.370 nan 0.000 0.507 466 R N 2.168 122.132 120.500 -0.892 0.000 2.323 466 R HA 0.013 4.352 4.340 -0.002 0.000 0.198 466 R C 1.478 177.577 176.300 -0.335 0.000 0.988 466 R CA 0.613 56.250 56.100 -0.772 0.000 1.041 466 R CB 0.570 30.550 30.300 -0.533 0.000 0.926 466 R HN 0.538 nan 8.270 nan 0.000 0.476 467 Q N -0.263 119.395 119.800 -0.236 0.000 2.159 467 Q HA -0.025 4.314 4.340 -0.002 0.000 0.194 467 Q C 2.106 178.111 176.000 0.008 0.000 0.968 467 Q CA 1.401 57.153 55.803 -0.085 0.000 0.837 467 Q CB 0.167 28.865 28.738 -0.068 0.000 0.920 467 Q HN 0.268 nan 8.270 nan 0.000 0.485 468 S N 0.187 115.893 115.700 0.011 0.000 2.474 468 S HA -0.064 4.405 4.470 -0.002 0.000 0.235 468 S C 0.592 175.334 174.600 0.236 0.000 0.997 468 S CA 0.287 58.579 58.200 0.154 0.000 0.949 468 S CB 0.056 63.307 63.200 0.085 0.000 0.766 468 S HN 0.235 nan 8.310 nan 0.000 0.517 469 R N -0.233 120.301 120.500 0.058 0.000 3.878 469 R HA -0.092 4.247 4.340 -0.002 0.000 0.330 469 R C -0.929 175.557 176.300 0.310 0.000 1.186 469 R CA 0.587 56.766 56.100 0.132 0.000 0.885 469 R CB -2.866 27.597 30.300 0.271 0.000 1.377 469 R HN 0.541 nan 8.270 nan 0.000 0.523 470 L N 1.240 122.599 121.223 0.227 0.000 2.265 470 L HA 0.412 4.751 4.340 -0.002 0.000 0.289 470 L C 0.349 177.438 176.870 0.365 0.000 1.033 470 L CA -0.976 54.006 54.840 0.237 0.000 0.814 470 L CB 1.221 43.358 42.059 0.130 0.000 1.203 470 L HN -0.072 nan 8.230 nan 0.000 0.423 471 L N 4.476 125.871 121.223 0.287 0.000 2.275 471 L HA 0.531 4.870 4.340 -0.002 0.000 0.288 471 L C 0.164 177.047 176.870 0.021 0.000 1.046 471 L CA 0.301 55.239 54.840 0.163 0.000 0.805 471 L CB 1.621 43.539 42.059 -0.234 0.000 1.193 471 L HN 0.636 nan 8.230 nan 0.000 0.426 472 T N 3.220 117.796 114.554 0.037 0.000 2.824 472 T HA 0.768 5.117 4.350 -0.002 0.000 0.282 472 T C -0.400 174.281 174.700 -0.031 0.000 0.993 472 T CA -0.463 61.631 62.100 -0.011 0.000 0.967 472 T CB 1.398 70.269 68.868 0.006 0.000 0.960 472 T HN 0.767 nan 8.240 nan 0.000 0.441 473 V N 0.191 120.071 119.914 -0.057 0.000 3.078 473 V HA 0.823 4.942 4.120 -0.002 0.000 0.311 473 V C -1.014 175.047 176.094 -0.055 0.000 1.138 473 V CA -1.419 60.843 62.300 -0.064 0.000 1.007 473 V CB 2.186 33.954 31.823 -0.091 0.000 1.045 473 V HN 1.019 nan 8.190 nan 0.000 0.432 474 R N 1.098 121.568 120.500 -0.049 0.000 2.686 474 R HA 0.804 5.143 4.340 -0.002 0.000 0.286 474 R C -0.852 175.422 176.300 -0.043 0.000 0.969 474 R CA -0.245 55.830 56.100 -0.042 0.000 0.898 474 R CB 2.482 32.764 30.300 -0.031 0.000 1.183 474 R HN 1.081 nan 8.270 nan 0.000 0.456 475 T N -0.673 113.857 114.554 -0.039 0.000 2.908 475 T HA 0.532 4.881 4.350 -0.002 0.000 0.290 475 T C -2.320 172.363 174.700 -0.027 0.000 1.034 475 T CA -1.853 60.225 62.100 -0.036 0.000 1.010 475 T CB 1.739 70.583 68.868 -0.039 0.000 1.068 475 T HN 0.314 nan 8.240 nan 0.000 0.481 476 P HA 0.376 nan 4.420 nan 0.000 0.269 476 P C 0.072 177.363 177.300 -0.015 0.000 1.209 476 P CA -0.529 62.561 63.100 -0.017 0.000 0.776 476 P CB 0.698 32.390 31.700 -0.014 0.000 0.876 477 A N 1.660 124.473 122.820 -0.012 0.000 2.390 477 A HA 0.068 4.387 4.320 -0.002 0.000 0.232 477 A C 0.911 178.491 177.584 -0.006 0.000 1.233 477 A CA 0.165 52.196 52.037 -0.010 0.000 0.907 477 A CB -0.191 18.803 19.000 -0.010 0.000 0.967 477 A HN 0.576 nan 8.150 nan 0.000 0.512 478 D N -0.688 119.709 120.400 -0.006 0.000 2.440 478 D HA 0.035 4.674 4.640 -0.002 0.000 0.216 478 D C 0.635 176.933 176.300 -0.002 0.000 1.150 478 D CA 0.848 54.846 54.000 -0.003 0.000 0.832 478 D CB -0.407 40.391 40.800 -0.003 0.000 0.992 478 D HN 0.249 nan 8.370 nan 0.000 0.502 479 S N -1.017 114.681 115.700 -0.003 0.000 2.941 479 S HA 0.556 5.025 4.470 -0.002 0.000 0.251 479 S C 0.949 175.549 174.600 -0.000 0.000 1.029 479 S CA 0.053 58.252 58.200 -0.002 0.000 1.062 479 S CB 0.136 63.334 63.200 -0.003 0.000 0.977 479 S HN 0.583 nan 8.310 nan 0.000 0.552 480 G N 2.324 111.124 108.800 0.000 0.000 2.642 480 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.231 480 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.231 480 G C -0.815 174.086 174.900 0.002 0.000 1.338 480 G CA -0.606 44.495 45.100 0.003 0.000 0.883 480 G HN 0.548 nan 8.290 nan 0.000 0.570 481 N N -0.374 118.329 118.700 0.006 0.000 2.458 481 N HA 0.382 5.121 4.740 -0.002 0.000 0.258 481 N C 0.238 175.751 175.510 0.004 0.000 1.219 481 N CA 0.106 53.160 53.050 0.007 0.000 0.902 481 N CB 1.314 39.809 38.487 0.014 0.000 1.076 481 N HN 0.671 nan 8.380 nan 0.000 0.455 482 V N 1.833 121.747 119.914 -0.000 0.000 2.459 482 V HA 0.345 4.464 4.120 -0.002 0.000 0.295 482 V C 0.316 176.410 176.094 0.001 0.000 1.029 482 V CA -0.644 61.654 62.300 -0.004 0.000 0.874 482 V CB 1.788 33.603 31.823 -0.014 0.000 0.985 482 V HN 0.571 nan 8.190 nan 0.000 0.438 483 T N 4.436 118.993 114.554 0.004 0.000 2.767 483 T HA 0.560 4.909 4.350 -0.002 0.000 0.284 483 T C -0.305 174.396 174.700 0.001 0.000 0.973 483 T CA -0.298 61.809 62.100 0.012 0.000 0.996 483 T CB 1.361 70.242 68.868 0.021 0.000 0.927 483 T HN 0.376 nan 8.240 nan 0.000 0.456 484 V N 3.898 123.810 119.914 -0.003 0.000 2.417 484 V HA 0.542 4.661 4.120 -0.002 0.000 0.291 484 V C 0.138 176.229 176.094 -0.005 0.000 1.024 484 V CA -0.727 61.560 62.300 -0.021 0.000 0.861 484 V CB 1.871 33.664 31.823 -0.050 0.000 0.985 484 V HN 0.952 nan 8.190 nan 0.000 0.436 485 T N 4.185 118.738 114.554 -0.002 0.000 2.809 485 T HA 0.580 4.929 4.350 -0.002 0.000 0.284 485 T C -0.514 174.200 174.700 0.024 0.000 0.992 485 T CA -0.405 61.712 62.100 0.028 0.000 0.957 485 T CB 1.575 70.473 68.868 0.050 0.000 0.942 485 T HN 0.351 nan 8.240 nan 0.000 0.439 486 V N 4.284 124.217 119.914 0.031 0.000 2.448 486 V HA 0.780 4.899 4.120 -0.002 0.000 0.295 486 V C 0.306 176.523 176.094 0.204 0.000 1.025 486 V CA -0.746 61.569 62.300 0.026 0.000 0.859 486 V CB 1.463 33.203 31.823 -0.138 0.000 0.988 486 V HN 1.108 nan 8.190 nan 0.000 0.431 487 T N 3.216 117.922 114.554 0.255 0.000 2.896 487 T HA 0.671 5.020 4.350 -0.002 0.000 0.297 487 T C -3.233 171.596 174.700 0.215 0.000 1.108 487 T CA -2.467 59.770 62.100 0.228 0.000 1.004 487 T CB 2.379 71.295 68.868 0.079 0.000 1.159 487 T HN 0.338 nan 8.240 nan 0.000 0.499 488 P HA 0.415 nan 4.420 nan 0.000 0.271 488 P C -0.358 176.946 177.300 0.006 0.000 1.216 488 P CA -0.241 62.821 63.100 -0.062 0.000 0.771 488 P CB 0.146 31.668 31.700 -0.296 0.000 0.864 489 A N 3.286 126.144 122.820 0.064 0.000 2.445 489 A HA 0.491 4.810 4.320 -0.002 0.000 0.242 489 A C 0.792 178.381 177.584 0.009 0.000 1.075 489 A CA 0.051 52.123 52.037 0.059 0.000 0.777 489 A CB -0.320 18.736 19.000 0.093 0.000 1.013 489 A HN 0.624 nan 8.150 nan 0.000 0.493 490 A N 0.000 122.812 122.820 -0.013 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 -0.022 0.000 0.836 490 A CB 0.000 18.979 19.000 -0.035 0.000 0.831 490 A HN 0.000 nan 8.150 nan 0.000 0.486