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 2a3e_1_B DATA FIRST_RESID 39 DATA SEQUENCE ASSGYRSVVY FVNWAIYGRN HNPQDLPVER LTHVLYAFAN VRPETGEVYM DATA SEQUENCE TDSWADIEKH YPGDSWSDTG NNVYGCIKQL YLLKKQNRNL KVLLSIGGWT DATA SEQUENCE YSPNFAPAAS TDAGRKNFAK TAVKLLQDLG FDGLDIDWEY PENDQQANDF DATA SEQUENCE VLLLKEVRTA LDSYSAANAG GQHFLLTVAS PAGPDKIKVL HLKDMDQQLD DATA SEQUENCE FWNLMAYDYA GSFSSLSGHQ ANVYNDTSNP LSTPFNTQTA LDLYRAGGVP DATA SEQUENCE ANKIVLGMPL YGRSFANTDG PGKPYNGVGQ GSWENGVWDY KALPQAGATE DATA SEQUENCE HVLPDIMASY SYDATNKFLI SYDNPQVANL KSGYIKSLGL GGAMWWDSSS DATA SEQUENCE DKTGSDSLIT TVVNALGGTG VFEQSQNELD YPVSQYDNLR NGMQ 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 39 A HA 0.000 nan 4.320 nan 0.000 0.244 39 A C 0.000 177.593 177.584 0.015 0.000 1.274 39 A CA 0.000 52.047 52.037 0.016 0.000 0.836 39 A CB 0.000 19.011 19.000 0.018 0.000 0.831 40 S N 0.290 116.003 115.700 0.022 0.000 2.537 40 S HA 0.786 5.256 4.470 0.001 0.000 0.270 40 S C -0.067 174.541 174.600 0.015 0.000 1.142 40 S CA 0.059 58.267 58.200 0.013 0.000 0.870 40 S CB 1.087 64.293 63.200 0.009 0.000 1.112 40 S HN 2.300 nan 8.310 nan 0.000 0.466 41 S N 1.398 117.096 115.700 -0.003 0.000 2.580 41 S HA 0.735 5.206 4.470 0.001 0.000 0.266 41 S C 0.715 175.287 174.600 -0.046 0.000 1.354 41 S CA 0.230 58.417 58.200 -0.021 0.000 1.008 41 S CB 0.141 63.316 63.200 -0.041 0.000 0.898 41 S HN 2.238 nan 8.310 nan 0.000 0.555 42 G N -0.038 108.711 108.800 -0.086 0.000 2.317 42 G HA2 0.383 4.344 3.960 0.001 0.000 0.293 42 G HA3 0.383 4.344 3.960 0.001 0.000 0.293 42 G C -1.932 172.877 174.900 -0.151 0.000 1.287 42 G CA -1.046 43.969 45.100 -0.142 0.000 0.850 42 G HN 0.613 nan 8.290 nan 0.000 0.515 43 Y N 0.932 121.289 120.300 0.095 0.000 2.309 43 Y HA 0.590 5.141 4.550 0.001 0.000 0.327 43 Y C 1.514 177.402 175.900 -0.020 0.000 1.172 43 Y CA -0.068 58.062 58.100 0.050 0.000 1.280 43 Y CB 0.822 39.354 38.460 0.120 0.000 1.234 43 Y HN 0.284 nan 8.280 nan 0.000 0.512 44 R N 0.781 121.294 120.500 0.022 0.000 2.486 44 R HA 0.527 4.868 4.340 0.001 0.000 0.286 44 R C -0.544 175.651 176.300 -0.175 0.000 0.999 44 R CA -0.751 55.251 56.100 -0.163 0.000 0.993 44 R CB 1.407 31.443 30.300 -0.440 0.000 1.084 44 R HN 0.547 nan 8.270 nan 0.000 0.487 45 S N 1.969 117.530 115.700 -0.230 0.000 2.718 45 S HA 0.336 4.806 4.470 0.001 0.000 0.294 45 S C -0.964 173.693 174.600 0.096 0.000 1.157 45 S CA -0.647 57.517 58.200 -0.060 0.000 1.121 45 S CB 0.660 63.692 63.200 -0.281 0.000 1.015 45 S HN 0.295 nan 8.310 nan 0.000 0.479 46 V N 5.068 125.073 119.914 0.152 0.000 2.459 46 V HA 0.731 4.852 4.120 0.001 0.000 0.295 46 V C -0.169 176.140 176.094 0.357 0.000 1.029 46 V CA -0.671 61.745 62.300 0.193 0.000 0.874 46 V CB 1.567 33.443 31.823 0.087 0.000 0.985 46 V HN 0.592 nan 8.190 nan 0.000 0.438 47 V N 5.317 125.399 119.914 0.279 0.000 2.841 47 V HA 0.601 4.721 4.120 0.001 0.000 0.310 47 V C -1.620 174.565 176.094 0.152 0.000 1.090 47 V CA -0.531 61.969 62.300 0.333 0.000 0.930 47 V CB 2.318 34.310 31.823 0.282 0.000 1.014 47 V HN 0.744 nan 8.190 nan 0.000 0.425 48 Y N 5.263 125.627 120.300 0.106 0.000 2.308 48 Y HA 0.533 5.083 4.550 0.001 0.000 0.329 48 Y C -0.291 175.462 175.900 -0.245 0.000 1.111 48 Y CA -0.279 57.781 58.100 -0.067 0.000 1.179 48 Y CB 1.570 39.920 38.460 -0.185 0.000 1.201 48 Y HN 0.635 nan 8.280 nan 0.000 0.483 49 F N 4.857 124.698 119.950 -0.183 0.000 2.426 49 F HA 0.602 5.129 4.527 0.001 0.000 0.348 49 F C -0.715 174.781 175.800 -0.507 0.000 1.124 49 F CA -1.279 56.576 58.000 -0.242 0.000 1.008 49 F CB 0.664 39.638 39.000 -0.043 0.000 1.139 49 F HN 0.244 nan 8.300 nan 0.000 0.452 50 V N 4.188 123.330 119.914 -1.286 0.000 2.481 50 V HA 0.319 4.440 4.120 0.001 0.000 0.286 50 V C 0.720 176.055 176.094 -1.266 0.000 1.042 50 V CA -0.548 60.840 62.300 -1.520 0.000 0.928 50 V CB 1.315 31.697 31.823 -2.402 0.000 0.986 50 V HN 0.870 nan 8.190 nan 0.000 0.462 51 N N 3.737 121.932 118.700 -0.842 0.000 2.453 51 N HA -0.158 4.582 4.740 0.001 0.000 0.183 51 N C 1.134 176.608 175.510 -0.060 0.000 1.041 51 N CA 1.784 54.673 53.050 -0.268 0.000 0.900 51 N CB -0.684 37.744 38.487 -0.097 0.000 0.961 51 N HN 0.994 nan 8.380 nan 0.000 0.443 52 W N -1.068 120.207 121.300 -0.041 0.000 3.180 52 W HA 0.600 5.260 4.660 0.001 0.000 0.254 52 W C 1.627 178.111 176.519 -0.059 0.000 1.318 52 W CA -0.160 57.257 57.345 0.120 0.000 1.608 52 W CB -0.399 29.152 29.460 0.153 0.000 1.124 52 W HN 0.109 nan 8.180 nan 0.000 0.694 53 A N 2.287 124.792 122.820 -0.525 0.000 2.067 53 A HA -0.115 4.206 4.320 0.001 0.000 0.219 53 A C 1.911 179.353 177.584 -0.237 0.000 1.158 53 A CA 1.509 53.240 52.037 -0.510 0.000 0.661 53 A CB -1.036 17.466 19.000 -0.830 0.000 0.801 53 A HN 0.694 nan 8.150 nan 0.000 0.452 54 I N -4.605 115.846 120.570 -0.198 0.000 3.444 54 I HA 0.020 4.191 4.170 0.001 0.000 0.287 54 I C 1.467 177.471 176.117 -0.188 0.000 1.302 54 I CA 0.429 61.642 61.300 -0.146 0.000 1.368 54 I CB -0.311 37.592 38.000 -0.162 0.000 1.048 54 I HN 0.218 nan 8.210 nan 0.000 0.487 55 Y N 1.830 122.172 120.300 0.070 0.000 3.098 55 Y HA 0.435 4.986 4.550 0.001 0.000 0.204 55 Y C 2.593 178.489 175.900 -0.005 0.000 0.896 55 Y CA 0.935 59.081 58.100 0.078 0.000 1.051 55 Y CB -1.265 37.256 38.460 0.102 0.000 1.077 55 Y HN -0.103 nan 8.280 nan 0.000 0.463 56 G N 0.019 108.902 108.800 0.137 0.000 2.442 56 G HA2 -0.224 3.737 3.960 0.001 0.000 0.219 56 G HA3 -0.224 3.737 3.960 0.001 0.000 0.219 56 G C 1.517 176.240 174.900 -0.295 0.000 1.141 56 G CA 0.861 45.971 45.100 0.017 0.000 0.763 56 G HN 0.306 nan 8.290 nan 0.000 0.554 57 R N -0.289 119.772 120.500 -0.731 0.000 2.241 57 R HA -0.034 4.306 4.340 0.001 0.000 0.224 57 R C 1.108 177.326 176.300 -0.137 0.000 1.101 57 R CA 0.507 56.192 56.100 -0.692 0.000 0.995 57 R CB -0.274 29.569 30.300 -0.761 0.000 0.870 57 R HN 0.356 nan 8.270 nan 0.000 0.463 58 N N 0.809 119.483 118.700 -0.044 0.000 2.699 58 N HA -0.261 4.480 4.740 0.001 0.000 0.256 58 N C -1.429 174.147 175.510 0.111 0.000 0.993 58 N CA 0.837 53.925 53.050 0.063 0.000 0.759 58 N CB -1.131 37.419 38.487 0.105 0.000 0.906 58 N HN 0.482 nan 8.380 nan 0.000 0.541 59 H N -0.015 119.028 119.070 -0.045 0.000 2.609 59 H HA 0.643 5.200 4.556 0.001 0.000 0.344 59 H C -0.561 174.837 175.328 0.117 0.000 1.040 59 H CA -0.714 55.328 56.048 -0.009 0.000 1.216 59 H CB 0.721 30.409 29.762 -0.124 0.000 1.529 59 H HN 0.360 nan 8.280 nan 0.000 0.519 60 N N 4.822 123.401 118.700 -0.201 0.000 2.402 60 N HA 0.242 4.983 4.740 0.001 0.000 0.294 60 N C -2.125 173.160 175.510 -0.375 0.000 1.203 60 N CA -1.874 51.094 53.050 -0.137 0.000 0.838 60 N CB 1.842 40.199 38.487 -0.217 0.000 1.306 60 N HN 0.386 nan 8.380 nan 0.000 0.510 61 P HA -0.164 nan 4.420 nan 0.000 0.217 61 P C 0.524 177.545 177.300 -0.465 0.000 1.148 61 P CA 1.374 64.007 63.100 -0.779 0.000 0.828 61 P CB 0.212 31.405 31.700 -0.844 0.000 0.783 62 Q N -0.747 118.788 119.800 -0.441 0.000 2.368 62 Q HA -0.140 4.200 4.340 0.001 0.000 0.210 62 Q C 1.233 177.101 176.000 -0.219 0.000 0.982 62 Q CA 1.143 56.757 55.803 -0.314 0.000 0.884 62 Q CB -0.725 27.819 28.738 -0.323 0.000 0.933 62 Q HN 0.354 nan 8.270 nan 0.000 0.460 63 D N -0.496 119.762 120.400 -0.236 0.000 2.349 63 D HA 0.038 4.678 4.640 0.001 0.000 0.215 63 D C 0.003 176.277 176.300 -0.043 0.000 1.016 63 D CA 0.132 54.056 54.000 -0.128 0.000 0.870 63 D CB 0.232 40.957 40.800 -0.125 0.000 0.917 63 D HN 0.261 nan 8.370 nan 0.000 0.524 64 L N 2.864 124.040 121.223 -0.077 0.000 2.490 64 L HA 0.087 4.427 4.340 0.001 0.000 0.274 64 L C -1.609 175.257 176.870 -0.006 0.000 1.201 64 L CA -1.060 53.783 54.840 0.006 0.000 0.869 64 L CB 0.184 42.227 42.059 -0.028 0.000 1.123 64 L HN -0.191 nan 8.230 nan 0.000 0.484 65 P HA 0.016 nan 4.420 nan 0.000 0.230 65 P C 1.021 178.334 177.300 0.021 0.000 1.791 65 P CA -0.213 62.891 63.100 0.008 0.000 1.020 65 P CB 0.172 31.869 31.700 -0.005 0.000 1.977 66 V N 0.413 120.330 119.914 0.004 0.000 2.453 66 V HA -0.263 3.857 4.120 0.001 0.000 0.252 66 V C 1.910 178.036 176.094 0.054 0.000 1.068 66 V CA 1.531 63.837 62.300 0.010 0.000 1.070 66 V CB -1.537 30.269 31.823 -0.029 0.000 0.664 66 V HN 0.212 nan 8.190 nan 0.000 0.461 67 E N 0.387 120.621 120.200 0.057 0.000 2.338 67 E HA -0.063 4.288 4.350 0.001 0.000 0.197 67 E C 1.791 178.508 176.600 0.194 0.000 1.007 67 E CA 0.739 57.193 56.400 0.090 0.000 0.849 67 E CB -0.101 29.626 29.700 0.045 0.000 0.774 67 E HN 0.649 nan 8.360 nan 0.000 0.506 68 R N 0.162 120.785 120.500 0.205 0.000 2.586 68 R HA 0.302 4.642 4.340 0.001 0.000 0.336 68 R C -0.298 176.197 176.300 0.326 0.000 1.060 68 R CA -0.040 56.271 56.100 0.352 0.000 1.079 68 R CB 0.524 30.936 30.300 0.186 0.000 1.317 68 R HN -0.011 nan 8.270 nan 0.000 0.568 69 L N -1.151 120.178 121.223 0.177 0.000 2.376 69 L HA 0.409 4.750 4.340 0.001 0.000 0.258 69 L C 1.019 177.808 176.870 -0.135 0.000 1.013 69 L CA -0.563 54.263 54.840 -0.023 0.000 0.822 69 L CB 2.412 44.497 42.059 0.044 0.000 1.388 69 L HN -0.015 nan 8.230 nan 0.000 0.413 70 T N -4.375 110.063 114.554 -0.192 0.000 2.955 70 T HA 0.282 4.632 4.350 0.001 0.000 0.251 70 T C 0.141 174.685 174.700 -0.260 0.000 1.002 70 T CA 0.135 62.121 62.100 -0.189 0.000 0.970 70 T CB 0.090 68.861 68.868 -0.162 0.000 1.091 70 T HN 0.539 nan 8.240 nan 0.000 0.495 71 H N -0.277 118.777 119.070 -0.027 0.000 2.894 71 H HA 0.742 5.298 4.556 0.001 0.000 0.367 71 H C -1.533 173.814 175.328 0.032 0.000 1.144 71 H CA -0.730 55.342 56.048 0.041 0.000 1.180 71 H CB 2.281 32.112 29.762 0.115 0.000 1.758 71 H HN 0.042 nan 8.280 nan 0.000 0.541 72 V N 4.288 124.281 119.914 0.131 0.000 2.443 72 V HA 0.288 4.408 4.120 0.001 0.000 0.293 72 V C -0.636 175.485 176.094 0.046 0.000 1.021 72 V CA -0.670 61.674 62.300 0.075 0.000 0.848 72 V CB 1.383 33.235 31.823 0.048 0.000 0.998 72 V HN 0.525 nan 8.190 nan 0.000 0.424 73 L N 4.915 126.079 121.223 -0.098 0.000 2.282 73 L HA 0.497 4.837 4.340 0.001 0.000 0.288 73 L C -0.850 176.027 176.870 0.013 0.000 1.033 73 L CA -0.718 54.028 54.840 -0.157 0.000 0.807 73 L CB 1.210 42.916 42.059 -0.588 0.000 1.209 73 L HN 0.591 nan 8.230 nan 0.000 0.423 74 Y N 3.125 123.401 120.300 -0.039 0.000 2.383 74 Y HA 0.519 5.069 4.550 0.001 0.000 0.344 74 Y C 0.111 176.016 175.900 0.009 0.000 0.986 74 Y CA -0.650 57.467 58.100 0.029 0.000 1.175 74 Y CB 1.106 39.614 38.460 0.080 0.000 1.152 74 Y HN 0.642 nan 8.280 nan 0.000 0.511 75 A N 6.449 129.021 122.820 -0.414 0.000 2.330 75 A HA 0.780 5.100 4.320 0.001 0.000 0.327 75 A C -1.746 175.545 177.584 -0.487 0.000 1.155 75 A CA -0.380 51.304 52.037 -0.588 0.000 0.803 75 A CB 0.384 18.667 19.000 -1.195 0.000 1.208 75 A HN 0.628 nan 8.150 nan 0.000 0.477 76 F N 0.357 120.400 119.950 0.156 0.000 2.599 76 F HA 0.676 5.204 4.527 0.001 0.000 0.311 76 F C 0.538 176.465 175.800 0.213 0.000 1.076 76 F CA -0.432 57.719 58.000 0.253 0.000 0.937 76 F CB 2.225 41.460 39.000 0.393 0.000 1.282 76 F HN 0.762 nan 8.300 nan 0.000 0.460 77 A N 1.853 124.878 122.820 0.341 0.000 2.279 77 A HA 0.653 4.974 4.320 0.001 0.000 0.303 77 A C -0.538 176.979 177.584 -0.112 0.000 1.108 77 A CA -0.371 51.693 52.037 0.046 0.000 0.830 77 A CB 0.775 19.764 19.000 -0.018 0.000 1.106 77 A HN 0.708 nan 8.150 nan 0.000 0.493 78 N N -0.901 117.439 118.700 -0.599 0.000 2.592 78 N HA 0.614 5.355 4.740 0.001 0.000 0.292 78 N C -1.506 173.578 175.510 -0.709 0.000 1.260 78 N CA -0.406 52.133 53.050 -0.851 0.000 0.910 78 N CB 1.817 39.441 38.487 -1.438 0.000 1.257 78 N HN 0.674 nan 8.380 nan 0.000 0.569 79 V N 0.813 120.401 119.914 -0.544 0.000 2.686 79 V HA 0.523 4.643 4.120 0.001 0.000 0.306 79 V C -0.957 175.050 176.094 -0.146 0.000 1.065 79 V CA -0.806 61.299 62.300 -0.324 0.000 0.894 79 V CB 1.370 32.931 31.823 -0.437 0.000 1.004 79 V HN 0.634 nan 8.190 nan 0.000 0.424 80 R N 7.783 128.287 120.500 0.007 0.000 2.316 80 R HA 0.287 4.628 4.340 0.001 0.000 0.314 80 R C -1.636 174.610 176.300 -0.090 0.000 1.069 80 R CA -1.300 54.779 56.100 -0.035 0.000 0.959 80 R CB 1.110 31.367 30.300 -0.070 0.000 0.987 80 R HN 0.634 nan 8.270 nan 0.000 0.446 81 P HA -0.176 nan 4.420 nan 0.000 0.218 81 P C 0.324 177.579 177.300 -0.075 0.000 1.149 81 P CA 1.383 64.414 63.100 -0.115 0.000 0.817 81 P CB 0.367 31.994 31.700 -0.121 0.000 0.785 82 E N -0.662 119.500 120.200 -0.065 0.000 2.230 82 E HA -0.047 4.303 4.350 0.001 0.000 0.192 82 E C 1.674 178.253 176.600 -0.036 0.000 0.987 82 E CA 1.631 58.002 56.400 -0.048 0.000 0.841 82 E CB -0.034 29.636 29.700 -0.050 0.000 0.783 82 E HN 0.389 nan 8.360 nan 0.000 0.481 83 T N -4.848 109.684 114.554 -0.037 0.000 2.975 83 T HA 0.291 4.642 4.350 0.001 0.000 0.261 83 T C 1.456 176.159 174.700 0.005 0.000 0.984 83 T CA 0.398 62.486 62.100 -0.020 0.000 0.911 83 T CB 1.038 69.885 68.868 -0.035 0.000 1.127 83 T HN 0.181 nan 8.240 nan 0.000 0.514 84 G N 1.829 110.633 108.800 0.007 0.000 2.162 84 G HA2 -0.286 3.675 3.960 0.001 0.000 0.260 84 G HA3 -0.286 3.675 3.960 0.001 0.000 0.260 84 G C -0.155 174.765 174.900 0.034 0.000 0.976 84 G CA 0.342 45.487 45.100 0.074 0.000 0.655 84 G HN 0.956 nan 8.290 nan 0.000 0.533 85 E N 0.396 120.583 120.200 -0.022 0.000 2.376 85 E HA 0.391 4.742 4.350 0.001 0.000 0.266 85 E C 0.159 176.716 176.600 -0.072 0.000 1.009 85 E CA -0.452 55.918 56.400 -0.050 0.000 0.902 85 E CB 0.703 30.375 29.700 -0.048 0.000 0.972 85 E HN 0.137 nan 8.360 nan 0.000 0.439 86 V N 6.283 126.082 119.914 -0.191 0.000 2.439 86 V HA 0.295 4.415 4.120 0.001 0.000 0.282 86 V C -0.727 175.356 176.094 -0.018 0.000 1.039 86 V CA -0.348 61.789 62.300 -0.272 0.000 0.913 86 V CB 0.287 31.773 31.823 -0.562 0.000 0.983 86 V HN 0.604 nan 8.190 nan 0.000 0.460 87 Y N 3.292 123.488 120.300 -0.174 0.000 2.562 87 Y HA 0.782 5.332 4.550 0.001 0.000 0.345 87 Y C -0.629 175.255 175.900 -0.027 0.000 1.045 87 Y CA -2.069 55.979 58.100 -0.086 0.000 1.028 87 Y CB 1.099 39.507 38.460 -0.086 0.000 1.297 87 Y HN 0.363 nan 8.280 nan 0.000 0.463 88 M N 1.998 121.661 119.600 0.105 0.000 2.232 88 M HA 0.188 4.668 4.480 0.001 0.000 0.321 88 M C 0.851 177.202 176.300 0.086 0.000 1.101 88 M CA 0.573 55.939 55.300 0.110 0.000 1.181 88 M CB 0.684 33.408 32.600 0.206 0.000 1.432 88 M HN 0.989 nan 8.290 nan 0.000 0.457 89 T N -3.442 111.177 114.554 0.108 0.000 3.044 89 T HA 0.202 4.553 4.350 0.001 0.000 0.260 89 T C -0.116 174.722 174.700 0.230 0.000 1.019 89 T CA -0.250 61.920 62.100 0.117 0.000 0.921 89 T CB 0.172 69.100 68.868 0.099 0.000 1.053 89 T HN 0.581 nan 8.240 nan 0.000 0.533 90 D N 1.347 121.909 120.400 0.269 0.000 2.351 90 D HA 0.212 4.852 4.640 0.001 0.000 0.235 90 D C 1.165 177.649 176.300 0.306 0.000 1.331 90 D CA 0.103 54.292 54.000 0.316 0.000 0.959 90 D CB 1.440 42.474 40.800 0.391 0.000 1.432 90 D HN 0.128 nan 8.370 nan 0.000 0.544 91 S N 2.989 118.857 115.700 0.280 0.000 2.383 91 S HA -0.167 4.304 4.470 0.001 0.000 0.229 91 S C 1.968 176.744 174.600 0.293 0.000 1.030 91 S CA 0.452 58.805 58.200 0.255 0.000 1.002 91 S CB -0.592 62.744 63.200 0.228 0.000 0.829 91 S HN 0.727 nan 8.310 nan 0.000 0.467 92 W N 2.562 123.963 121.300 0.168 0.000 2.353 92 W HA -0.131 4.530 4.660 0.001 0.000 0.319 92 W C 2.534 179.128 176.519 0.125 0.000 1.207 92 W CA 1.606 59.041 57.345 0.149 0.000 1.291 92 W CB -0.659 28.913 29.460 0.186 0.000 1.159 92 W HN 0.461 nan 8.180 nan 0.000 0.478 93 A N 0.729 123.640 122.820 0.151 0.000 1.898 93 A HA -0.206 4.114 4.320 0.001 0.000 0.216 93 A C 1.658 179.287 177.584 0.075 0.000 1.181 93 A CA 2.014 54.046 52.037 -0.009 0.000 0.620 93 A CB -1.015 18.070 19.000 0.141 0.000 0.819 93 A HN 0.290 nan 8.150 nan 0.000 0.442 94 D N -0.058 120.453 120.400 0.185 0.000 2.084 94 D HA -0.088 4.553 4.640 0.001 0.000 0.196 94 D C 1.767 178.071 176.300 0.007 0.000 0.985 94 D CA 1.988 56.097 54.000 0.182 0.000 0.826 94 D CB -0.225 40.725 40.800 0.250 0.000 0.978 94 D HN 0.704 nan 8.370 nan 0.000 0.456 95 I N -3.438 117.137 120.570 0.009 0.000 4.439 95 I HA 0.307 4.478 4.170 0.001 0.000 0.331 95 I C 1.110 177.251 176.117 0.041 0.000 1.345 95 I CA -0.078 61.192 61.300 -0.051 0.000 1.193 95 I CB 0.503 38.449 38.000 -0.090 0.000 1.221 95 I HN -0.238 nan 8.210 nan 0.000 0.429 96 E N 1.892 122.103 120.200 0.020 0.000 2.256 96 E HA 0.147 4.498 4.350 0.001 0.000 0.198 96 E C 0.515 176.946 176.600 -0.281 0.000 0.908 96 E CA -0.289 56.146 56.400 0.058 0.000 0.915 96 E CB 0.470 30.306 29.700 0.226 0.000 0.890 96 E HN 0.245 nan 8.360 nan 0.000 0.484 97 K N 1.894 121.777 120.400 -0.862 0.000 2.530 97 K HA -0.071 4.249 4.320 0.001 0.000 0.280 97 K C -0.810 175.401 176.600 -0.649 0.000 1.004 97 K CA 0.552 56.017 56.287 -1.371 0.000 1.071 97 K CB 0.261 31.795 32.500 -1.610 0.000 0.876 97 K HN 0.147 nan 8.250 nan 0.000 0.487 98 H N 2.677 121.314 119.070 -0.722 0.000 2.458 98 H HA 0.185 4.742 4.556 0.001 0.000 0.330 98 H C -0.913 174.087 175.328 -0.546 0.000 1.111 98 H CA -0.871 54.831 56.048 -0.577 0.000 1.245 98 H CB 0.791 30.207 29.762 -0.576 0.000 1.456 98 H HN 0.469 nan 8.280 nan 0.000 0.488 99 Y N 1.949 122.134 120.300 -0.191 0.000 2.567 99 Y HA 0.232 4.782 4.550 0.001 0.000 0.333 99 Y C -1.978 173.822 175.900 -0.167 0.000 1.106 99 Y CA -2.649 55.358 58.100 -0.154 0.000 1.157 99 Y CB 0.797 39.162 38.460 -0.158 0.000 1.277 99 Y HN 0.587 nan 8.280 nan 0.000 0.490 100 P HA 0.104 nan 4.420 nan 0.000 0.262 100 P C 0.459 177.729 177.300 -0.051 0.000 1.182 100 P CA 1.983 65.075 63.100 -0.014 0.000 0.761 100 P CB 0.353 32.054 31.700 0.002 0.000 0.795 101 G N 1.677 110.423 108.800 -0.090 0.000 2.195 101 G HA2 -0.157 3.804 3.960 0.001 0.000 0.224 101 G HA3 -0.157 3.804 3.960 0.001 0.000 0.224 101 G C -0.194 174.611 174.900 -0.159 0.000 0.990 101 G CA -0.396 44.644 45.100 -0.100 0.000 0.639 101 G HN 0.511 nan 8.290 nan 0.000 0.514 102 D N 0.569 120.799 120.400 -0.283 0.000 2.175 102 D HA 0.655 5.295 4.640 0.001 0.000 0.248 102 D C -0.123 175.758 176.300 -0.698 0.000 1.047 102 D CA 0.541 54.203 54.000 -0.563 0.000 0.883 102 D CB 1.713 41.895 40.800 -1.030 0.000 1.180 102 D HN 0.250 nan 8.370 nan 0.000 0.438 103 S N 1.201 116.511 115.700 -0.650 0.000 2.572 103 S HA 0.175 4.646 4.470 0.001 0.000 0.274 103 S C -0.380 174.063 174.600 -0.263 0.000 1.150 103 S CA -0.828 57.133 58.200 -0.400 0.000 0.944 103 S CB 0.390 63.507 63.200 -0.139 0.000 1.071 103 S HN 0.565 nan 8.310 nan 0.000 0.479 104 W N 2.728 124.046 121.300 0.030 0.000 2.848 104 W HA 0.020 4.680 4.660 0.001 0.000 0.241 104 W C 1.924 178.478 176.519 0.059 0.000 1.289 104 W CA 0.000 57.375 57.345 0.050 0.000 1.396 104 W CB 0.165 29.642 29.460 0.029 0.000 1.138 104 W HN 0.645 nan 8.180 nan 0.000 0.677 105 S N -0.533 115.298 115.700 0.220 0.000 2.481 105 S HA -0.083 4.388 4.470 0.001 0.000 0.231 105 S C 0.303 174.992 174.600 0.149 0.000 0.996 105 S CA 0.401 58.694 58.200 0.156 0.000 0.942 105 S CB -0.315 62.938 63.200 0.088 0.000 0.768 105 S HN 0.117 nan 8.310 nan 0.000 0.520 106 D N 3.250 123.762 120.400 0.187 0.000 2.424 106 D HA 0.118 4.758 4.640 0.001 0.000 0.244 106 D C 0.693 177.093 176.300 0.166 0.000 1.134 106 D CA 0.411 54.510 54.000 0.166 0.000 0.881 106 D CB 0.827 41.750 40.800 0.205 0.000 1.191 106 D HN 0.293 nan 8.370 nan 0.000 0.445 107 T N -1.009 113.610 114.554 0.109 0.000 2.816 107 T HA 0.537 4.888 4.350 0.001 0.000 0.282 107 T C 0.953 175.708 174.700 0.091 0.000 0.993 107 T CA -0.063 62.093 62.100 0.092 0.000 0.994 107 T CB 1.393 70.296 68.868 0.059 0.000 1.025 107 T HN 0.641 nan 8.240 nan 0.000 0.529 108 G N 1.094 109.940 108.800 0.077 0.000 2.553 108 G HA2 -0.247 3.714 3.960 0.001 0.000 0.242 108 G HA3 -0.247 3.714 3.960 0.001 0.000 0.242 108 G C -0.355 174.605 174.900 0.100 0.000 1.277 108 G CA -0.050 45.090 45.100 0.067 0.000 0.910 108 G HN 1.167 nan 8.290 nan 0.000 0.576 109 N N 1.154 119.910 118.700 0.093 0.000 2.424 109 N HA 0.419 5.159 4.740 0.001 0.000 0.271 109 N C -0.848 174.795 175.510 0.223 0.000 0.985 109 N CA -0.598 52.540 53.050 0.147 0.000 0.921 109 N CB 0.255 38.778 38.487 0.060 0.000 1.149 109 N HN 0.550 nan 8.380 nan 0.000 0.492 110 N N 1.837 120.688 118.700 0.252 0.000 2.265 110 N HA 0.306 5.047 4.740 0.001 0.000 0.300 110 N C -1.418 173.935 175.510 -0.262 0.000 1.148 110 N CA -0.453 52.607 53.050 0.017 0.000 0.772 110 N CB 2.720 41.165 38.487 -0.070 0.000 1.434 110 N HN 0.171 nan 8.380 nan 0.000 0.481 111 V N 2.033 121.502 119.914 -0.741 0.000 2.459 111 V HA 0.530 4.651 4.120 0.001 0.000 0.295 111 V C -1.202 174.327 176.094 -0.941 0.000 1.029 111 V CA -0.108 61.661 62.300 -0.886 0.000 0.874 111 V CB 0.623 31.710 31.823 -1.227 0.000 0.985 111 V HN 0.647 nan 8.190 nan 0.000 0.438 112 Y N 4.208 124.367 120.300 -0.235 0.000 3.304 112 Y HA 0.814 5.364 4.550 0.001 0.000 0.302 112 Y C 1.398 177.186 175.900 -0.187 0.000 1.660 112 Y CA 0.348 58.328 58.100 -0.201 0.000 0.779 112 Y CB -0.167 38.202 38.460 -0.152 0.000 1.242 112 Y HN 0.942 nan 8.280 nan 0.000 0.741 113 G N 0.228 109.051 108.800 0.039 0.000 2.578 113 G HA2 -0.302 3.658 3.960 0.001 0.000 0.275 113 G HA3 -0.302 3.658 3.960 0.001 0.000 0.275 113 G C 0.854 175.771 174.900 0.030 0.000 1.271 113 G CA 0.046 45.119 45.100 -0.045 0.000 0.941 113 G HN 0.792 nan 8.290 nan 0.000 0.564 114 C N 0.083 119.372 119.300 -0.019 0.000 2.435 114 C HA 0.036 4.497 4.460 0.001 0.000 0.279 114 C C 3.013 177.789 174.990 -0.356 0.000 1.321 114 C CA 1.041 59.962 59.018 -0.161 0.000 1.752 114 C CB -1.375 26.343 27.740 -0.037 0.000 1.959 114 C HN 0.518 nan 8.230 nan 0.000 0.500 115 I N 1.732 122.083 120.570 -0.366 0.000 2.208 115 I HA -0.206 3.965 4.170 0.001 0.000 0.245 115 I C 2.533 178.426 176.117 -0.374 0.000 1.097 115 I CA 1.724 62.753 61.300 -0.452 0.000 1.363 115 I CB -1.213 36.524 38.000 -0.439 0.000 1.051 115 I HN 0.479 nan 8.210 nan 0.000 0.413 116 K N 0.451 120.666 120.400 -0.308 0.000 2.062 116 K HA -0.173 4.147 4.320 0.001 0.000 0.205 116 K C 2.093 178.575 176.600 -0.198 0.000 1.051 116 K CA 1.003 57.137 56.287 -0.255 0.000 0.941 116 K CB 0.098 32.450 32.500 -0.248 0.000 0.719 116 K HN 0.189 nan 8.250 nan 0.000 0.440 117 Q N 0.766 120.416 119.800 -0.250 0.000 2.124 117 Q HA -0.138 4.203 4.340 0.001 0.000 0.202 117 Q C 2.204 178.022 176.000 -0.303 0.000 0.977 117 Q CA 1.231 56.847 55.803 -0.311 0.000 0.850 117 Q CB -0.202 28.252 28.738 -0.474 0.000 0.901 117 Q HN 0.395 nan 8.270 nan 0.000 0.429 118 L N -0.939 120.088 121.223 -0.328 0.000 2.072 118 L HA -0.169 4.171 4.340 0.001 0.000 0.205 118 L C 2.355 179.094 176.870 -0.218 0.000 1.079 118 L CA 1.052 55.712 54.840 -0.300 0.000 0.752 118 L CB -0.538 41.318 42.059 -0.338 0.000 0.906 118 L HN 0.142 nan 8.230 nan 0.000 0.436 119 Y N 0.675 120.796 120.300 -0.299 0.000 2.181 119 Y HA -0.256 4.294 4.550 0.001 0.000 0.288 119 Y C 2.343 178.137 175.900 -0.175 0.000 1.146 119 Y CA 1.499 59.454 58.100 -0.242 0.000 1.164 119 Y CB -0.152 38.145 38.460 -0.272 0.000 0.982 119 Y HN -0.002 nan 8.280 nan 0.000 0.515 120 L N -0.492 120.675 121.223 -0.093 0.000 2.079 120 L HA -0.286 4.054 4.340 0.001 0.000 0.210 120 L C 2.401 179.151 176.870 -0.201 0.000 1.081 120 L CA 1.326 56.089 54.840 -0.128 0.000 0.752 120 L CB -0.653 41.340 42.059 -0.109 0.000 0.896 120 L HN 0.322 nan 8.230 nan 0.000 0.433 121 L N -0.564 120.532 121.223 -0.212 0.000 2.083 121 L HA -0.218 4.123 4.340 0.001 0.000 0.209 121 L C 2.603 179.357 176.870 -0.193 0.000 1.083 121 L CA 1.310 56.037 54.840 -0.189 0.000 0.752 121 L CB -0.485 41.462 42.059 -0.188 0.000 0.899 121 L HN 0.241 nan 8.230 nan 0.000 0.433 122 K N 0.301 120.545 120.400 -0.259 0.000 2.057 122 K HA -0.166 4.154 4.320 0.001 0.000 0.207 122 K C 2.156 178.595 176.600 -0.268 0.000 1.049 122 K CA 1.249 57.380 56.287 -0.261 0.000 0.931 122 K CB -0.044 32.252 32.500 -0.339 0.000 0.714 122 K HN 0.241 nan 8.250 nan 0.000 0.440 123 K N 0.906 121.091 120.400 -0.358 0.000 2.063 123 K HA -0.201 4.119 4.320 0.001 0.000 0.208 123 K C 2.112 178.626 176.600 -0.143 0.000 1.048 123 K CA 1.581 57.719 56.287 -0.247 0.000 0.928 123 K CB -0.042 32.331 32.500 -0.211 0.000 0.713 123 K HN 0.174 nan 8.250 nan 0.000 0.442 124 Q N 0.037 119.756 119.800 -0.135 0.000 2.435 124 Q HA 0.040 4.380 4.340 0.001 0.000 0.207 124 Q C -0.307 175.648 176.000 -0.075 0.000 0.956 124 Q CA 0.527 56.275 55.803 -0.093 0.000 0.917 124 Q CB 0.366 29.049 28.738 -0.092 0.000 0.997 124 Q HN 0.228 nan 8.270 nan 0.000 0.497 125 N N 0.182 118.831 118.700 -0.084 0.000 2.685 125 N HA 0.145 4.886 4.740 0.001 0.000 0.252 125 N C -0.318 175.156 175.510 -0.060 0.000 1.261 125 N CA -0.236 52.781 53.050 -0.056 0.000 0.768 125 N CB 1.053 39.511 38.487 -0.049 0.000 1.304 125 N HN -0.034 nan 8.380 nan 0.000 0.536 126 R N 0.573 121.044 120.500 -0.048 0.000 2.200 126 R HA -0.080 4.261 4.340 0.001 0.000 0.234 126 R C 1.196 177.476 176.300 -0.033 0.000 1.127 126 R CA 0.896 56.969 56.100 -0.044 0.000 0.989 126 R CB -0.494 29.787 30.300 -0.032 0.000 0.869 126 R HN 0.474 nan 8.270 nan 0.000 0.459 127 N N 0.265 118.953 118.700 -0.020 0.000 2.398 127 N HA -0.029 4.711 4.740 0.001 0.000 0.188 127 N C -0.530 174.944 175.510 -0.060 0.000 1.122 127 N CA -0.018 53.022 53.050 -0.016 0.000 0.866 127 N CB 0.200 38.707 38.487 0.033 0.000 0.970 127 N HN -0.023 nan 8.380 nan 0.000 0.462 128 L N 1.125 122.308 121.223 -0.066 0.000 2.260 128 L HA 0.402 4.742 4.340 0.001 0.000 0.289 128 L C -0.754 176.055 176.870 -0.102 0.000 1.057 128 L CA -0.399 54.385 54.840 -0.094 0.000 0.811 128 L CB 0.529 42.547 42.059 -0.068 0.000 1.184 128 L HN -0.153 nan 8.230 nan 0.000 0.429 129 K N 3.263 123.565 120.400 -0.163 0.000 2.130 129 K HA 0.670 4.991 4.320 0.001 0.000 0.268 129 K C -1.171 175.447 176.600 0.030 0.000 0.983 129 K CA -0.393 55.856 56.287 -0.063 0.000 0.893 129 K CB 1.943 34.381 32.500 -0.104 0.000 1.066 129 K HN 0.364 nan 8.250 nan 0.000 0.450 130 V N 4.339 124.325 119.914 0.119 0.000 2.444 130 V HA 0.420 4.541 4.120 0.001 0.000 0.294 130 V C -0.908 175.354 176.094 0.281 0.000 1.022 130 V CA -0.906 61.497 62.300 0.172 0.000 0.850 130 V CB 1.094 33.002 31.823 0.141 0.000 0.992 130 V HN 0.471 nan 8.190 nan 0.000 0.426 131 L N 4.671 125.995 121.223 0.167 0.000 2.322 131 L HA 0.637 4.977 4.340 0.001 0.000 0.269 131 L C -0.479 176.235 176.870 -0.260 0.000 1.012 131 L CA -0.607 54.249 54.840 0.026 0.000 0.815 131 L CB 1.679 43.766 42.059 0.046 0.000 1.295 131 L HN 0.543 nan 8.230 nan 0.000 0.438 132 L N 0.715 121.586 121.223 -0.587 0.000 2.275 132 L HA 0.577 4.917 4.340 0.001 0.000 0.288 132 L C -0.016 176.780 176.870 -0.123 0.000 1.046 132 L CA 0.406 54.853 54.840 -0.656 0.000 0.805 132 L CB 1.335 42.790 42.059 -1.006 0.000 1.193 132 L HN 0.571 nan 8.230 nan 0.000 0.426 133 S N 5.521 121.278 115.700 0.095 0.000 2.480 133 S HA 0.681 5.152 4.470 0.001 0.000 0.286 133 S C -0.390 174.492 174.600 0.471 0.000 1.180 133 S CA -0.589 57.825 58.200 0.357 0.000 1.075 133 S CB 0.275 63.837 63.200 0.602 0.000 0.996 133 S HN 0.540 nan 8.310 nan 0.000 0.487 134 I N 4.615 125.450 120.570 0.443 0.000 2.378 134 I HA 0.640 4.810 4.170 0.001 0.000 0.291 134 I C 0.917 177.288 176.117 0.423 0.000 0.992 134 I CA -0.105 61.421 61.300 0.376 0.000 1.154 134 I CB 1.333 39.517 38.000 0.306 0.000 1.315 134 I HN 0.958 nan 8.210 nan 0.000 0.448 135 G N 4.203 113.118 108.800 0.192 0.000 2.637 135 G HA2 0.336 4.297 3.960 0.001 0.000 0.211 135 G HA3 0.336 4.297 3.960 0.001 0.000 0.211 135 G C 0.037 174.486 174.900 -0.752 0.000 1.213 135 G CA 0.066 45.200 45.100 0.057 0.000 1.207 135 G HN 1.597 nan 8.290 nan 0.000 0.559 136 G N -1.976 106.299 108.800 -0.875 0.000 2.662 136 G HA2 0.125 4.086 3.960 0.001 0.000 0.686 136 G HA3 0.125 4.086 3.960 0.001 0.000 0.686 136 G C 0.682 175.289 174.900 -0.489 0.000 1.271 136 G CA 0.475 44.832 45.100 -1.238 0.000 0.816 136 G HN 1.972 nan 8.290 nan 0.000 0.608 137 W N 0.478 121.510 121.300 -0.446 0.000 2.333 137 W HA -0.216 4.445 4.660 0.001 0.000 0.316 137 W C 2.488 178.847 176.519 -0.267 0.000 1.215 137 W CA 3.643 60.800 57.345 -0.313 0.000 1.278 137 W CB -0.700 28.606 29.460 -0.256 0.000 1.154 137 W HN 1.087 nan 8.180 nan 0.000 0.486 138 T N -2.164 112.186 114.554 -0.340 0.000 3.007 138 T HA -0.220 4.130 4.350 0.001 0.000 0.270 138 T C 1.226 175.753 174.700 -0.288 0.000 1.107 138 T CA 1.110 62.982 62.100 -0.379 0.000 1.118 138 T CB -0.799 67.886 68.868 -0.304 0.000 0.889 138 T HN 0.125 nan 8.240 nan 0.000 0.506 139 Y N 0.768 120.871 120.300 -0.328 0.000 2.449 139 Y HA 0.522 5.073 4.550 0.001 0.000 0.254 139 Y C 2.611 178.283 175.900 -0.380 0.000 1.140 139 Y CA -1.373 56.527 58.100 -0.334 0.000 1.272 139 Y CB -0.340 37.915 38.460 -0.340 0.000 1.114 139 Y HN 0.182 nan 8.280 nan 0.000 0.525 140 S N 0.926 116.494 115.700 -0.220 0.000 2.440 140 S HA -0.098 4.373 4.470 0.001 0.000 0.238 140 S C -0.730 173.760 174.600 -0.183 0.000 1.010 140 S CA 1.020 59.153 58.200 -0.112 0.000 0.972 140 S CB -0.891 62.211 63.200 -0.163 0.000 0.774 140 S HN 0.348 nan 8.310 nan 0.000 0.501 141 P HA 0.028 nan 4.420 nan 0.000 0.228 141 P C 0.768 177.941 177.300 -0.213 0.000 1.151 141 P CA 0.736 63.718 63.100 -0.196 0.000 0.770 141 P CB -0.062 31.527 31.700 -0.184 0.000 0.786 142 N N -1.728 116.788 118.700 -0.306 0.000 2.446 142 N HA 0.020 4.760 4.740 0.001 0.000 0.179 142 N C 1.256 176.481 175.510 -0.476 0.000 1.054 142 N CA 0.627 53.461 53.050 -0.361 0.000 0.905 142 N CB -0.522 37.726 38.487 -0.398 0.000 0.973 142 N HN 0.178 nan 8.380 nan 0.000 0.448 143 F N 1.946 121.530 119.950 -0.611 0.000 2.084 143 F HA -0.044 4.484 4.527 0.001 0.000 0.296 143 F C 2.471 177.704 175.800 -0.944 0.000 1.111 143 F CA 0.955 58.312 58.000 -1.073 0.000 1.224 143 F CB -0.810 36.823 39.000 -2.279 0.000 0.991 143 F HN -0.010 nan 8.300 nan 0.000 0.471 144 A N 0.876 123.459 122.820 -0.395 0.000 1.859 144 A HA -0.202 4.118 4.320 0.001 0.000 0.217 144 A C 0.015 177.561 177.584 -0.063 0.000 1.198 144 A CA 2.254 54.263 52.037 -0.047 0.000 0.629 144 A CB -2.268 16.799 19.000 0.112 0.000 0.830 144 A HN 0.279 nan 8.150 nan 0.000 0.446 145 P HA -0.103 nan 4.420 nan 0.000 0.216 145 P C 1.622 178.881 177.300 -0.069 0.000 1.153 145 P CA 1.912 64.977 63.100 -0.060 0.000 0.848 145 P CB -0.240 31.420 31.700 -0.066 0.000 0.787 146 A N 0.819 123.567 122.820 -0.121 0.000 1.908 146 A HA -0.059 4.261 4.320 0.001 0.000 0.218 146 A C 2.330 179.890 177.584 -0.041 0.000 1.181 146 A CA 2.210 54.200 52.037 -0.079 0.000 0.627 146 A CB -1.456 17.480 19.000 -0.106 0.000 0.818 146 A HN 0.272 nan 8.150 nan 0.000 0.445 147 A N -0.121 122.649 122.820 -0.084 0.000 2.307 147 A HA 0.304 4.625 4.320 0.001 0.000 0.218 147 A C 1.942 179.551 177.584 0.042 0.000 1.228 147 A CA 1.018 53.041 52.037 -0.024 0.000 0.857 147 A CB -0.590 18.393 19.000 -0.029 0.000 0.897 147 A HN 0.842 nan 8.150 nan 0.000 0.495 148 S N -0.255 115.464 115.700 0.031 0.000 2.522 148 S HA 0.036 4.507 4.470 0.001 0.000 0.227 148 S C 0.899 175.524 174.600 0.041 0.000 0.986 148 S CA 0.806 59.035 58.200 0.048 0.000 0.929 148 S CB -0.696 62.526 63.200 0.037 0.000 0.769 148 S HN 0.762 nan 8.310 nan 0.000 0.529 149 T N -1.964 112.610 114.554 0.035 0.000 2.906 149 T HA 0.474 4.824 4.350 0.001 0.000 0.295 149 T C 0.156 174.880 174.700 0.040 0.000 1.061 149 T CA -0.386 61.734 62.100 0.034 0.000 1.000 149 T CB 1.770 70.653 68.868 0.025 0.000 1.103 149 T HN -0.041 nan 8.240 nan 0.000 0.486 150 D N 1.529 121.953 120.400 0.040 0.000 2.149 150 D HA -0.077 4.564 4.640 0.001 0.000 0.198 150 D C 2.172 178.500 176.300 0.046 0.000 0.990 150 D CA 1.877 55.903 54.000 0.044 0.000 0.839 150 D CB -0.287 40.536 40.800 0.039 0.000 0.948 150 D HN 0.735 nan 8.370 nan 0.000 0.460 151 A N 0.034 122.878 122.820 0.040 0.000 1.873 151 A HA 0.051 4.371 4.320 0.001 0.000 0.215 151 A C 2.407 180.022 177.584 0.052 0.000 1.186 151 A CA 1.903 53.964 52.037 0.040 0.000 0.616 151 A CB -1.400 17.618 19.000 0.029 0.000 0.823 151 A HN 0.365 nan 8.150 nan 0.000 0.442 152 G N -0.416 108.413 108.800 0.049 0.000 2.446 152 G HA2 -0.255 3.705 3.960 0.001 0.000 0.217 152 G HA3 -0.255 3.705 3.960 0.001 0.000 0.217 152 G C 1.766 176.732 174.900 0.111 0.000 1.168 152 G CA 0.973 46.113 45.100 0.065 0.000 0.771 152 G HN 0.569 nan 8.290 nan 0.000 0.551 153 R N 0.411 120.961 120.500 0.083 0.000 2.083 153 R HA -0.049 4.292 4.340 0.001 0.000 0.237 153 R C 2.677 179.057 176.300 0.134 0.000 1.137 153 R CA 1.547 57.695 56.100 0.081 0.000 0.951 153 R CB -0.307 30.020 30.300 0.046 0.000 0.851 153 R HN 0.310 nan 8.270 nan 0.000 0.434 154 K N 0.183 120.647 120.400 0.106 0.000 2.097 154 K HA -0.135 4.185 4.320 0.001 0.000 0.206 154 K C 1.888 178.562 176.600 0.123 0.000 1.049 154 K CA 1.408 57.759 56.287 0.107 0.000 0.933 154 K CB -0.194 32.352 32.500 0.076 0.000 0.717 154 K HN 0.055 nan 8.250 nan 0.000 0.442 155 N N 0.657 119.426 118.700 0.115 0.000 2.244 155 N HA -0.154 4.586 4.740 0.001 0.000 0.183 155 N C 1.486 177.075 175.510 0.132 0.000 1.016 155 N CA 0.777 53.884 53.050 0.095 0.000 0.866 155 N CB -0.141 38.383 38.487 0.062 0.000 0.980 155 N HN 0.080 nan 8.380 nan 0.000 0.430 156 F N 1.161 121.123 119.950 0.020 0.000 2.069 156 F HA -0.094 4.434 4.527 0.001 0.000 0.298 156 F C 2.157 177.980 175.800 0.039 0.000 1.113 156 F CA 1.766 59.781 58.000 0.024 0.000 1.214 156 F CB -0.885 38.135 39.000 0.034 0.000 0.978 156 F HN 0.102 nan 8.300 nan 0.000 0.474 157 A N 0.063 123.151 122.820 0.447 0.000 1.902 157 A HA -0.232 4.089 4.320 0.001 0.000 0.217 157 A C 2.340 180.008 177.584 0.140 0.000 1.181 157 A CA 1.904 54.122 52.037 0.301 0.000 0.623 157 A CB -0.903 18.230 19.000 0.222 0.000 0.818 157 A HN 0.495 nan 8.150 nan 0.000 0.443 158 K N -0.426 120.038 120.400 0.107 0.000 2.002 158 K HA -0.170 4.151 4.320 0.001 0.000 0.209 158 K C 2.207 178.817 176.600 0.016 0.000 1.048 158 K CA 2.141 58.463 56.287 0.059 0.000 0.930 158 K CB -0.392 32.140 32.500 0.054 0.000 0.714 158 K HN 0.632 nan 8.250 nan 0.000 0.438 159 T N -1.287 113.264 114.554 -0.005 0.000 2.821 159 T HA -0.028 4.322 4.350 0.001 0.000 0.267 159 T C 2.045 176.703 174.700 -0.070 0.000 1.046 159 T CA 1.015 63.090 62.100 -0.043 0.000 1.139 159 T CB -0.383 68.447 68.868 -0.064 0.000 0.871 159 T HN 0.263 nan 8.240 nan 0.000 0.454 160 A N 1.180 123.936 122.820 -0.107 0.000 1.898 160 A HA 0.108 4.428 4.320 0.001 0.000 0.216 160 A C 2.604 180.153 177.584 -0.057 0.000 1.181 160 A CA 1.413 53.385 52.037 -0.108 0.000 0.620 160 A CB -1.016 17.909 19.000 -0.126 0.000 0.819 160 A HN 0.411 nan 8.150 nan 0.000 0.442 161 V N 0.236 120.120 119.914 -0.051 0.000 2.515 161 V HA -0.211 3.909 4.120 0.001 0.000 0.250 161 V C 2.511 178.488 176.094 -0.196 0.000 1.058 161 V CA 2.295 64.518 62.300 -0.129 0.000 1.064 161 V CB -0.616 31.163 31.823 -0.074 0.000 0.675 161 V HN 0.624 nan 8.190 nan 0.000 0.461 162 K N 0.744 121.082 120.400 -0.104 0.000 2.057 162 K HA -0.101 4.219 4.320 0.001 0.000 0.207 162 K C 1.911 178.466 176.600 -0.074 0.000 1.049 162 K CA 1.633 57.867 56.287 -0.089 0.000 0.931 162 K CB -0.518 31.957 32.500 -0.041 0.000 0.714 162 K HN 0.401 nan 8.250 nan 0.000 0.440 163 L N 0.365 121.575 121.223 -0.023 0.000 2.046 163 L HA -0.147 4.193 4.340 0.001 0.000 0.208 163 L C 2.475 179.391 176.870 0.077 0.000 1.077 163 L CA 1.169 56.045 54.840 0.060 0.000 0.747 163 L CB -0.477 41.650 42.059 0.113 0.000 0.896 163 L HN 0.263 nan 8.230 nan 0.000 0.432 164 L N 0.160 121.400 121.223 0.029 0.000 2.046 164 L HA -0.263 4.077 4.340 0.001 0.000 0.208 164 L C 2.833 179.575 176.870 -0.213 0.000 1.077 164 L CA 1.568 56.409 54.840 0.002 0.000 0.747 164 L CB -0.253 41.723 42.059 -0.139 0.000 0.896 164 L HN 0.403 nan 8.230 nan 0.000 0.432 165 Q N -1.513 118.089 119.800 -0.330 0.000 2.224 165 Q HA -0.194 4.146 4.340 0.001 0.000 0.203 165 Q C 1.192 177.160 176.000 -0.054 0.000 0.970 165 Q CA 1.635 57.300 55.803 -0.230 0.000 0.865 165 Q CB -0.201 28.334 28.738 -0.338 0.000 0.922 165 Q HN 0.470 nan 8.270 nan 0.000 0.445 166 D N 1.007 121.344 120.400 -0.105 0.000 2.197 166 D HA 0.058 4.699 4.640 0.001 0.000 0.212 166 D C 1.806 178.044 176.300 -0.103 0.000 0.963 166 D CA 0.771 54.739 54.000 -0.055 0.000 0.864 166 D CB 0.172 40.969 40.800 -0.004 0.000 1.009 166 D HN 0.266 nan 8.370 nan 0.000 0.479 167 L N -0.256 120.798 121.223 -0.283 0.000 2.591 167 L HA 0.255 4.595 4.340 0.001 0.000 0.228 167 L C 1.068 177.343 176.870 -0.991 0.000 1.133 167 L CA 0.272 54.755 54.840 -0.595 0.000 0.880 167 L CB -0.030 41.654 42.059 -0.623 0.000 1.033 167 L HN 0.063 nan 8.230 nan 0.000 0.450 168 G N 0.218 108.360 108.800 -1.097 0.000 2.212 168 G HA2 -0.274 3.687 3.960 0.001 0.000 0.255 168 G HA3 -0.274 3.687 3.960 0.001 0.000 0.255 168 G C -0.137 174.214 174.900 -0.915 0.000 1.062 168 G CA -0.443 43.699 45.100 -1.597 0.000 0.815 168 G HN 0.097 nan 8.290 nan 0.000 0.497 169 F N 0.108 119.859 119.950 -0.332 0.000 2.371 169 F HA 0.436 4.963 4.527 0.001 0.000 0.329 169 F C 1.335 177.246 175.800 0.185 0.000 1.107 169 F CA -1.093 56.877 58.000 -0.050 0.000 1.137 169 F CB 0.872 39.837 39.000 -0.059 0.000 1.214 169 F HN 0.023 nan 8.300 nan 0.000 0.536 170 D N 0.747 121.427 120.400 0.466 0.000 2.350 170 D HA 0.260 4.900 4.640 0.001 0.000 0.213 170 D C 0.872 177.469 176.300 0.495 0.000 1.031 170 D CA 0.594 54.916 54.000 0.538 0.000 0.861 170 D CB 0.666 41.673 40.800 0.345 0.000 0.926 170 D HN 0.688 nan 8.370 nan 0.000 0.520 171 G N -0.111 108.875 108.800 0.310 0.000 2.317 171 G HA2 0.394 4.355 3.960 0.001 0.000 0.293 171 G HA3 0.394 4.355 3.960 0.001 0.000 0.293 171 G C -2.001 172.936 174.900 0.061 0.000 1.287 171 G CA -0.852 44.358 45.100 0.184 0.000 0.850 171 G HN 0.032 nan 8.290 nan 0.000 0.515 172 L N 0.085 121.327 121.223 0.032 0.000 2.370 172 L HA 0.670 5.011 4.340 0.001 0.000 0.266 172 L C -1.383 175.503 176.870 0.026 0.000 1.002 172 L CA -0.826 54.023 54.840 0.015 0.000 0.818 172 L CB 2.516 44.613 42.059 0.064 0.000 1.325 172 L HN 0.657 nan 8.230 nan 0.000 0.418 173 D N 2.174 122.619 120.400 0.075 0.000 2.629 173 D HA 0.513 5.153 4.640 0.001 0.000 0.250 173 D C -1.149 175.301 176.300 0.249 0.000 1.126 173 D CA -0.350 53.724 54.000 0.124 0.000 0.852 173 D CB 1.398 42.299 40.800 0.168 0.000 1.335 173 D HN 0.124 nan 8.370 nan 0.000 0.518 174 I N 3.178 123.896 120.570 0.248 0.000 2.354 174 I HA 0.277 4.447 4.170 0.001 0.000 0.292 174 I C -0.271 176.005 176.117 0.265 0.000 0.989 174 I CA -0.729 60.765 61.300 0.324 0.000 1.188 174 I CB 1.231 39.451 38.000 0.367 0.000 1.342 174 I HN 0.461 nan 8.210 nan 0.000 0.457 175 D N 7.109 127.648 120.400 0.233 0.000 2.434 175 D HA 0.102 4.742 4.640 0.001 0.000 0.275 175 D C -1.151 175.097 176.300 -0.086 0.000 1.172 175 D CA -0.288 53.788 54.000 0.127 0.000 0.916 175 D CB 0.427 41.358 40.800 0.218 0.000 1.041 175 D HN 0.358 nan 8.370 nan 0.000 0.501 176 W N 3.821 124.749 121.300 -0.620 0.000 2.308 176 W HA 0.407 5.068 4.660 0.001 0.000 0.311 176 W C -0.905 175.272 176.519 -0.570 0.000 1.088 176 W CA -1.040 55.674 57.345 -1.053 0.000 1.309 176 W CB 0.431 28.829 29.460 -1.770 0.000 1.229 176 W HN 0.257 nan 8.180 nan 0.000 0.427 177 E N 6.588 126.715 120.200 -0.122 0.000 2.256 177 E HA 0.271 4.622 4.350 0.001 0.000 0.243 177 E C -1.462 174.934 176.600 -0.341 0.000 0.925 177 E CA -0.362 55.580 56.400 -0.762 0.000 0.748 177 E CB 1.052 30.250 29.700 -0.835 0.000 1.206 177 E HN 0.280 nan 8.360 nan 0.000 0.428 178 Y N 0.247 120.626 120.300 0.133 0.000 2.625 178 Y HA 0.317 4.867 4.550 0.001 0.000 0.338 178 Y C -2.480 173.245 175.900 -0.292 0.000 1.123 178 Y CA -2.878 55.161 58.100 -0.101 0.000 1.046 178 Y CB 1.130 39.555 38.460 -0.060 0.000 1.299 178 Y HN 0.280 nan 8.280 nan 0.000 0.464 179 P HA 0.098 nan 4.420 nan 0.000 0.263 179 P C -0.172 177.043 177.300 -0.143 0.000 1.195 179 P CA 0.471 63.226 63.100 -0.576 0.000 0.762 179 P CB 0.609 31.867 31.700 -0.736 0.000 0.799 180 E N 1.963 122.154 120.200 -0.014 0.000 2.318 180 E HA -0.024 4.327 4.350 0.001 0.000 0.193 180 E C 0.396 176.999 176.600 0.005 0.000 0.998 180 E CA 0.475 56.891 56.400 0.028 0.000 0.859 180 E CB 0.012 29.758 29.700 0.076 0.000 0.812 180 E HN 0.582 nan 8.360 nan 0.000 0.492 181 N N -1.167 117.527 118.700 -0.011 0.000 3.039 181 N HA 0.017 4.758 4.740 0.001 0.000 0.257 181 N C -0.219 175.279 175.510 -0.021 0.000 1.497 181 N CA -0.613 52.435 53.050 -0.003 0.000 0.861 181 N CB 0.465 38.965 38.487 0.023 0.000 1.479 181 N HN -0.263 nan 8.380 nan 0.000 0.547 182 D N -1.167 119.242 120.400 0.015 0.000 2.144 182 D HA -0.187 4.454 4.640 0.001 0.000 0.199 182 D C 1.492 177.801 176.300 0.015 0.000 0.984 182 D CA 1.465 55.490 54.000 0.042 0.000 0.834 182 D CB 0.244 41.109 40.800 0.108 0.000 0.955 182 D HN 0.561 nan 8.370 nan 0.000 0.465 183 Q N 0.352 120.170 119.800 0.030 0.000 2.050 183 Q HA -0.177 4.164 4.340 0.001 0.000 0.202 183 Q C 2.071 178.089 176.000 0.031 0.000 0.980 183 Q CA 1.708 57.536 55.803 0.042 0.000 0.840 183 Q CB -0.257 28.513 28.738 0.053 0.000 0.898 183 Q HN 0.425 nan 8.270 nan 0.000 0.424 184 Q N -0.785 119.030 119.800 0.025 0.000 2.124 184 Q HA -0.097 4.244 4.340 0.001 0.000 0.202 184 Q C 2.040 177.960 176.000 -0.132 0.000 0.977 184 Q CA 1.298 57.127 55.803 0.044 0.000 0.850 184 Q CB -0.271 28.507 28.738 0.067 0.000 0.901 184 Q HN 0.513 nan 8.270 nan 0.000 0.429 185 A N 1.322 123.994 122.820 -0.248 0.000 1.902 185 A HA -0.273 4.048 4.320 0.001 0.000 0.217 185 A C 1.790 179.099 177.584 -0.459 0.000 1.181 185 A CA 1.873 53.649 52.037 -0.435 0.000 0.623 185 A CB -0.805 17.818 19.000 -0.629 0.000 0.818 185 A HN 0.443 nan 8.150 nan 0.000 0.443 186 N N -0.046 118.455 118.700 -0.331 0.000 2.084 186 N HA -0.169 4.572 4.740 0.001 0.000 0.190 186 N C 1.185 176.712 175.510 0.028 0.000 1.030 186 N CA 1.824 54.832 53.050 -0.071 0.000 0.849 186 N CB -0.226 38.308 38.487 0.080 0.000 1.012 186 N HN 0.383 nan 8.380 nan 0.000 0.423 187 D N -0.399 120.043 120.400 0.070 0.000 2.144 187 D HA -0.151 4.490 4.640 0.001 0.000 0.199 187 D C 1.530 177.977 176.300 0.245 0.000 0.984 187 D CA 0.569 54.660 54.000 0.152 0.000 0.834 187 D CB -0.421 40.497 40.800 0.197 0.000 0.955 187 D HN 0.279 nan 8.370 nan 0.000 0.465 188 F N 1.652 121.615 119.950 0.022 0.000 2.134 188 F HA -0.161 4.367 4.527 0.001 0.000 0.299 188 F C 2.222 177.994 175.800 -0.046 0.000 1.097 188 F CA 0.503 58.511 58.000 0.013 0.000 1.264 188 F CB -0.697 38.132 39.000 -0.286 0.000 1.001 188 F HN -0.208 nan 8.300 nan 0.000 0.479 189 V N 0.697 120.633 119.914 0.036 0.000 2.295 189 V HA -0.317 3.803 4.120 0.001 0.000 0.246 189 V C 2.692 178.800 176.094 0.022 0.000 1.049 189 V CA 1.837 64.110 62.300 -0.044 0.000 1.024 189 V CB -0.792 31.037 31.823 0.010 0.000 0.648 189 V HN 0.294 nan 8.190 nan 0.000 0.447 190 L N -0.815 120.448 121.223 0.066 0.000 2.042 190 L HA -0.206 4.135 4.340 0.001 0.000 0.210 190 L C 2.489 179.395 176.870 0.061 0.000 1.076 190 L CA 1.359 56.238 54.840 0.064 0.000 0.749 190 L CB -0.643 41.459 42.059 0.072 0.000 0.893 190 L HN 0.361 nan 8.230 nan 0.000 0.432 191 L N -0.011 121.264 121.223 0.087 0.000 2.012 191 L HA -0.216 4.125 4.340 0.001 0.000 0.210 191 L C 2.341 179.223 176.870 0.020 0.000 1.073 191 L CA 1.747 56.605 54.840 0.030 0.000 0.748 191 L CB -0.487 41.585 42.059 0.021 0.000 0.891 191 L HN 0.096 nan 8.230 nan 0.000 0.431 192 L N -0.654 120.592 121.223 0.038 0.000 2.042 192 L HA -0.250 4.090 4.340 0.001 0.000 0.210 192 L C 2.635 179.512 176.870 0.011 0.000 1.076 192 L CA 1.630 56.463 54.840 -0.011 0.000 0.749 192 L CB -0.667 41.310 42.059 -0.137 0.000 0.893 192 L HN 0.273 nan 8.230 nan 0.000 0.432 193 K N -0.271 120.139 120.400 0.016 0.000 2.032 193 K HA -0.243 4.077 4.320 0.001 0.000 0.209 193 K C 2.091 178.725 176.600 0.056 0.000 1.048 193 K CA 1.528 57.836 56.287 0.035 0.000 0.927 193 K CB -0.168 32.354 32.500 0.037 0.000 0.712 193 K HN 0.089 nan 8.250 nan 0.000 0.441 194 E N 0.798 121.033 120.200 0.059 0.000 2.085 194 E HA -0.143 4.207 4.350 0.001 0.000 0.194 194 E C 1.886 178.548 176.600 0.103 0.000 0.994 194 E CA 0.945 57.392 56.400 0.078 0.000 0.801 194 E CB -0.101 29.645 29.700 0.076 0.000 0.743 194 E HN 0.040 nan 8.360 nan 0.000 0.453 195 V N 0.233 120.212 119.914 0.109 0.000 2.379 195 V HA -0.182 3.938 4.120 0.001 0.000 0.245 195 V C 2.384 178.549 176.094 0.120 0.000 1.044 195 V CA 1.734 64.121 62.300 0.144 0.000 1.036 195 V CB -0.462 31.466 31.823 0.175 0.000 0.664 195 V HN 0.145 nan 8.190 nan 0.000 0.453 196 R N 0.834 121.391 120.500 0.095 0.000 2.083 196 R HA -0.154 4.187 4.340 0.001 0.000 0.237 196 R C 2.303 178.674 176.300 0.118 0.000 1.137 196 R CA 2.516 58.676 56.100 0.100 0.000 0.951 196 R CB -1.285 29.063 30.300 0.079 0.000 0.851 196 R HN 0.517 nan 8.270 nan 0.000 0.434 197 T N 0.345 114.961 114.554 0.104 0.000 2.622 197 T HA -0.166 4.184 4.350 0.001 0.000 0.266 197 T C 1.803 176.576 174.700 0.122 0.000 1.047 197 T CA 1.824 63.986 62.100 0.104 0.000 1.159 197 T CB -0.690 68.230 68.868 0.088 0.000 0.863 197 T HN 0.449 nan 8.240 nan 0.000 0.422 198 A N 0.971 123.866 122.820 0.125 0.000 1.940 198 A HA -0.011 4.310 4.320 0.001 0.000 0.219 198 A C 2.332 180.020 177.584 0.174 0.000 1.176 198 A CA 1.261 53.380 52.037 0.137 0.000 0.631 198 A CB -0.871 18.203 19.000 0.124 0.000 0.814 198 A HN 0.488 nan 8.150 nan 0.000 0.446 199 L N -0.645 120.683 121.223 0.176 0.000 2.056 199 L HA -0.170 4.171 4.340 0.001 0.000 0.207 199 L C 2.082 179.145 176.870 0.322 0.000 1.078 199 L CA 1.343 56.324 54.840 0.235 0.000 0.749 199 L CB -0.583 41.602 42.059 0.210 0.000 0.901 199 L HN 0.312 nan 8.230 nan 0.000 0.433 200 D N -0.426 120.117 120.400 0.238 0.000 2.117 200 D HA -0.131 4.509 4.640 0.001 0.000 0.197 200 D C 2.375 178.780 176.300 0.176 0.000 0.987 200 D CA 1.388 55.514 54.000 0.210 0.000 0.829 200 D CB -0.055 40.840 40.800 0.159 0.000 0.961 200 D HN 0.167 nan 8.370 nan 0.000 0.460 201 S N 0.256 116.052 115.700 0.159 0.000 2.351 201 S HA -0.215 4.255 4.470 0.001 0.000 0.220 201 S C 1.915 176.587 174.600 0.121 0.000 1.035 201 S CA 0.960 59.233 58.200 0.122 0.000 1.031 201 S CB -0.693 62.578 63.200 0.119 0.000 0.928 201 S HN 0.347 nan 8.310 nan 0.000 0.433 202 Y N 2.233 122.593 120.300 0.100 0.000 2.193 202 Y HA -0.220 4.331 4.550 0.001 0.000 0.285 202 Y C 2.737 178.729 175.900 0.155 0.000 1.166 202 Y CA 1.544 59.700 58.100 0.093 0.000 1.181 202 Y CB -0.768 37.719 38.460 0.046 0.000 0.976 202 Y HN 0.266 nan 8.280 nan 0.000 0.520 203 S N -0.151 115.618 115.700 0.117 0.000 2.355 203 S HA -0.168 4.302 4.470 0.001 0.000 0.222 203 S C 2.317 176.891 174.600 -0.043 0.000 1.031 203 S CA 1.283 59.557 58.200 0.123 0.000 0.993 203 S CB -0.919 62.447 63.200 0.276 0.000 0.859 203 S HN 0.665 nan 8.310 nan 0.000 0.453 204 A N 1.480 124.297 122.820 -0.006 0.000 1.892 204 A HA 0.064 4.385 4.320 0.001 0.000 0.218 204 A C 2.471 180.015 177.584 -0.066 0.000 1.188 204 A CA 2.179 54.203 52.037 -0.021 0.000 0.631 204 A CB -1.452 17.553 19.000 0.010 0.000 0.822 204 A HN 0.796 nan 8.150 nan 0.000 0.447 205 A N -0.950 121.809 122.820 -0.101 0.000 1.897 205 A HA -0.068 4.252 4.320 0.001 0.000 0.215 205 A C 1.714 179.192 177.584 -0.177 0.000 1.181 205 A CA 1.501 53.468 52.037 -0.116 0.000 0.620 205 A CB -0.239 18.710 19.000 -0.085 0.000 0.821 205 A HN 0.580 nan 8.150 nan 0.000 0.443 206 N N -1.795 116.695 118.700 -0.350 0.000 2.143 206 N HA 0.290 5.031 4.740 0.001 0.000 0.222 206 N C 0.346 175.700 175.510 -0.260 0.000 1.264 206 N CA 0.827 53.676 53.050 -0.335 0.000 0.897 206 N CB 1.189 39.412 38.487 -0.441 0.000 1.092 206 N HN 0.391 nan 8.380 nan 0.000 0.516 207 A N 0.062 122.759 122.820 -0.204 0.000 2.605 207 A HA 0.497 4.817 4.320 0.001 0.000 0.292 207 A C 1.031 178.563 177.584 -0.088 0.000 1.055 207 A CA 0.087 52.073 52.037 -0.086 0.000 0.969 207 A CB -0.153 18.901 19.000 0.090 0.000 1.236 207 A HN 0.077 nan 8.150 nan 0.000 0.534 208 G N -0.252 108.499 108.800 -0.082 0.000 2.412 208 G HA2 0.120 4.080 3.960 0.001 0.000 0.297 208 G HA3 0.120 4.080 3.960 0.001 0.000 0.297 208 G C 1.601 176.466 174.900 -0.057 0.000 0.965 208 G CA 1.208 46.271 45.100 -0.061 0.000 1.134 208 G HN 2.176 nan 8.290 nan 0.000 0.511 209 G N -0.929 107.842 108.800 -0.047 0.000 2.284 209 G HA2 -0.235 3.726 3.960 0.001 0.000 0.261 209 G HA3 -0.235 3.726 3.960 0.001 0.000 0.261 209 G C 0.688 175.548 174.900 -0.068 0.000 0.997 209 G CA 1.205 46.286 45.100 -0.032 0.000 0.621 209 G HN 2.054 nan 8.290 nan 0.000 0.534 210 Q N 0.877 120.585 119.800 -0.153 0.000 2.757 210 Q HA 0.123 4.463 4.340 0.001 0.000 0.366 210 Q C 0.262 176.027 176.000 -0.392 0.000 1.083 210 Q CA 0.691 56.315 55.803 -0.299 0.000 1.146 210 Q CB -0.067 28.389 28.738 -0.470 0.000 1.060 210 Q HN 0.684 nan 8.270 nan 0.000 0.416 211 H N 4.766 123.643 119.070 -0.322 0.000 2.864 211 H HA 0.264 4.820 4.556 0.001 0.000 0.281 211 H C -1.161 174.023 175.328 -0.241 0.000 1.093 211 H CA -0.294 55.637 56.048 -0.195 0.000 1.453 211 H CB -0.105 29.621 29.762 -0.059 0.000 1.462 211 H HN 0.480 nan 8.280 nan 0.000 0.480 212 F N 5.141 124.942 119.950 -0.250 0.000 2.394 212 F HA 0.230 4.757 4.527 0.001 0.000 0.340 212 F C 0.046 175.604 175.800 -0.404 0.000 1.105 212 F CA -0.710 57.185 58.000 -0.175 0.000 1.124 212 F CB 0.708 39.722 39.000 0.024 0.000 1.145 212 F HN 0.392 nan 8.300 nan 0.000 0.505 213 L N 4.029 125.244 121.223 -0.014 0.000 2.417 213 L HA 0.367 4.707 4.340 0.001 0.000 0.268 213 L C -0.650 176.197 176.870 -0.037 0.000 1.158 213 L CA -0.604 54.203 54.840 -0.054 0.000 0.819 213 L CB 0.823 42.928 42.059 0.077 0.000 1.112 213 L HN 0.419 nan 8.230 nan 0.000 0.458 214 L N 2.774 123.943 121.223 -0.090 0.000 2.404 214 L HA 0.628 4.969 4.340 0.001 0.000 0.272 214 L C -0.184 176.539 176.870 -0.246 0.000 0.980 214 L CA 0.178 54.958 54.840 -0.099 0.000 0.836 214 L CB 1.783 43.818 42.059 -0.041 0.000 1.238 214 L HN 0.777 nan 8.230 nan 0.000 0.408 215 T N 1.878 116.259 114.554 -0.288 0.000 2.838 215 T HA 0.909 5.259 4.350 0.001 0.000 0.292 215 T C -0.564 173.995 174.700 -0.235 0.000 1.113 215 T CA -0.234 61.603 62.100 -0.438 0.000 1.008 215 T CB 1.661 70.064 68.868 -0.776 0.000 1.259 215 T HN 0.941 nan 8.240 nan 0.000 0.520 216 V N -2.320 117.456 119.914 -0.231 0.000 3.078 216 V HA 0.970 5.091 4.120 0.001 0.000 0.311 216 V C -0.394 175.774 176.094 0.123 0.000 1.138 216 V CA -1.365 60.912 62.300 -0.038 0.000 1.007 216 V CB 1.263 32.992 31.823 -0.158 0.000 1.045 216 V HN 1.512 nan 8.190 nan 0.000 0.432 217 A N 2.493 125.452 122.820 0.233 0.000 2.260 217 A HA 0.871 5.192 4.320 0.001 0.000 0.308 217 A C 0.322 178.066 177.584 0.267 0.000 1.254 217 A CA 0.137 52.338 52.037 0.274 0.000 0.874 217 A CB 0.365 19.523 19.000 0.262 0.000 1.153 217 A HN 1.839 nan 8.150 nan 0.000 0.527 218 S N 2.918 118.802 115.700 0.308 0.000 2.607 218 S HA 0.843 5.313 4.470 0.001 0.000 0.303 218 S C -2.968 171.824 174.600 0.321 0.000 1.086 218 S CA -1.662 56.778 58.200 0.399 0.000 0.995 218 S CB 1.829 65.430 63.200 0.668 0.000 1.084 218 S HN 0.537 nan 8.310 nan 0.000 0.507 219 P HA 0.316 nan 4.420 nan 0.000 0.275 219 P C -0.048 177.347 177.300 0.158 0.000 1.228 219 P CA -0.408 62.799 63.100 0.178 0.000 0.786 219 P CB 1.264 32.929 31.700 -0.058 0.000 0.927 220 A N 2.631 125.480 122.820 0.048 0.000 2.252 220 A HA 0.330 4.650 4.320 0.001 0.000 0.213 220 A C 1.305 178.862 177.584 -0.045 0.000 1.188 220 A CA 0.353 52.435 52.037 0.075 0.000 0.863 220 A CB -0.577 18.520 19.000 0.161 0.000 0.893 220 A HN 0.622 nan 8.150 nan 0.000 0.495 221 G N 0.877 109.574 108.800 -0.172 0.000 2.354 221 G HA2 0.408 4.368 3.960 0.001 0.000 0.266 221 G HA3 0.408 4.368 3.960 0.001 0.000 0.266 221 G C -1.462 173.382 174.900 -0.093 0.000 1.242 221 G CA -0.764 44.206 45.100 -0.217 0.000 0.923 221 G HN 0.064 nan 8.290 nan 0.000 0.476 222 P HA -0.152 nan 4.420 nan 0.000 0.216 222 P C 1.343 178.612 177.300 -0.051 0.000 1.157 222 P CA 1.111 64.201 63.100 -0.018 0.000 0.880 222 P CB 0.333 32.046 31.700 0.023 0.000 0.791 223 D N -0.830 119.552 120.400 -0.031 0.000 2.178 223 D HA -0.140 4.500 4.640 0.001 0.000 0.201 223 D C 1.777 178.018 176.300 -0.098 0.000 0.980 223 D CA 1.265 55.236 54.000 -0.048 0.000 0.842 223 D CB -0.253 40.538 40.800 -0.016 0.000 0.948 223 D HN 0.136 nan 8.370 nan 0.000 0.472 224 K N 0.419 120.717 120.400 -0.169 0.000 2.062 224 K HA 0.083 4.404 4.320 0.001 0.000 0.205 224 K C 2.177 178.677 176.600 -0.167 0.000 1.051 224 K CA 0.221 56.367 56.287 -0.234 0.000 0.941 224 K CB -0.254 31.942 32.500 -0.506 0.000 0.719 224 K HN 0.133 nan 8.250 nan 0.000 0.440 225 I N 0.998 121.469 120.570 -0.165 0.000 2.264 225 I HA -0.336 3.834 4.170 0.001 0.000 0.248 225 I C 1.708 177.716 176.117 -0.182 0.000 1.111 225 I CA 1.382 62.557 61.300 -0.208 0.000 1.382 225 I CB -0.188 37.637 38.000 -0.291 0.000 1.060 225 I HN 0.122 nan 8.210 nan 0.000 0.418 226 K N 0.154 120.475 120.400 -0.132 0.000 2.280 226 K HA -0.090 4.230 4.320 0.001 0.000 0.202 226 K C 1.918 178.486 176.600 -0.054 0.000 1.047 226 K CA 0.894 57.126 56.287 -0.092 0.000 0.942 226 K CB -0.037 32.422 32.500 -0.068 0.000 0.739 226 K HN 0.202 nan 8.250 nan 0.000 0.457 227 V N 1.724 121.603 119.914 -0.059 0.000 2.591 227 V HA -0.081 4.039 4.120 0.001 0.000 0.249 227 V C 1.170 177.248 176.094 -0.026 0.000 1.053 227 V CA 0.770 63.047 62.300 -0.039 0.000 1.068 227 V CB -0.383 31.399 31.823 -0.069 0.000 0.689 227 V HN 0.205 nan 8.190 nan 0.000 0.462 228 L N 0.340 121.536 121.223 -0.045 0.000 2.461 228 L HA 0.160 4.501 4.340 0.001 0.000 0.272 228 L C 0.331 177.272 176.870 0.117 0.000 1.197 228 L CA 0.134 54.959 54.840 -0.025 0.000 0.836 228 L CB -0.108 41.949 42.059 -0.003 0.000 1.105 228 L HN 0.316 nan 8.230 nan 0.000 0.477 229 H N 3.964 123.013 119.070 -0.033 0.000 2.882 229 H HA 0.145 4.701 4.556 0.001 0.000 0.258 229 H C 0.852 176.189 175.328 0.015 0.000 1.579 229 H CA -0.607 55.428 56.048 -0.023 0.000 1.340 229 H CB 0.560 30.310 29.762 -0.021 0.000 1.645 229 H HN 0.588 nan 8.280 nan 0.000 0.541 230 L N 1.616 122.908 121.223 0.115 0.000 1.971 230 L HA -0.277 4.063 4.340 0.001 0.000 0.215 230 L C 2.673 179.648 176.870 0.176 0.000 1.072 230 L CA 1.644 56.555 54.840 0.117 0.000 0.758 230 L CB -0.310 41.684 42.059 -0.108 0.000 0.889 230 L HN 0.490 nan 8.230 nan 0.000 0.433 231 K N 0.004 120.456 120.400 0.086 0.000 2.032 231 K HA -0.222 4.098 4.320 0.001 0.000 0.209 231 K C 1.801 178.464 176.600 0.104 0.000 1.048 231 K CA 1.990 58.328 56.287 0.085 0.000 0.927 231 K CB -0.085 32.434 32.500 0.032 0.000 0.712 231 K HN 0.263 nan 8.250 nan 0.000 0.441 232 D N 0.449 120.902 120.400 0.089 0.000 2.117 232 D HA -0.172 4.469 4.640 0.001 0.000 0.197 232 D C 1.993 178.324 176.300 0.052 0.000 0.987 232 D CA 1.353 55.397 54.000 0.073 0.000 0.829 232 D CB -0.081 40.773 40.800 0.090 0.000 0.961 232 D HN 0.341 nan 8.370 nan 0.000 0.460 233 M N 0.207 119.846 119.600 0.064 0.000 2.086 233 M HA -0.164 4.316 4.480 0.001 0.000 0.261 233 M C 1.891 178.189 176.300 -0.003 0.000 1.067 233 M CA 1.253 56.512 55.300 -0.068 0.000 1.116 233 M CB -0.176 32.357 32.600 -0.112 0.000 1.348 233 M HN -0.146 nan 8.290 nan 0.000 0.407 234 D N -0.046 120.523 120.400 0.282 0.000 2.182 234 D HA -0.233 4.407 4.640 0.001 0.000 0.201 234 D C 1.924 178.316 176.300 0.154 0.000 0.986 234 D CA 1.204 55.415 54.000 0.351 0.000 0.847 234 D CB 0.010 41.083 40.800 0.455 0.000 0.942 234 D HN 0.180 nan 8.370 nan 0.000 0.467 235 Q N -0.352 119.508 119.800 0.099 0.000 2.234 235 Q HA -0.130 4.210 4.340 0.001 0.000 0.206 235 Q C 1.423 177.448 176.000 0.041 0.000 0.980 235 Q CA 1.358 57.201 55.803 0.066 0.000 0.869 235 Q CB -0.041 28.727 28.738 0.051 0.000 0.912 235 Q HN 0.308 nan 8.270 nan 0.000 0.436 236 Q N -0.880 118.919 119.800 -0.001 0.000 2.384 236 Q HA 0.243 4.584 4.340 0.001 0.000 0.207 236 Q C -0.072 175.898 176.000 -0.049 0.000 0.904 236 Q CA 0.197 55.987 55.803 -0.022 0.000 0.933 236 Q CB 0.645 29.345 28.738 -0.063 0.000 1.077 236 Q HN 0.332 nan 8.270 nan 0.000 0.522 237 L N 0.468 121.639 121.223 -0.087 0.000 2.344 237 L HA 0.313 4.653 4.340 0.001 0.000 0.272 237 L C 0.965 177.832 176.870 -0.007 0.000 1.035 237 L CA -0.537 54.214 54.840 -0.149 0.000 0.807 237 L CB 1.109 42.907 42.059 -0.435 0.000 1.237 237 L HN -0.155 nan 8.230 nan 0.000 0.442 238 D N 0.852 121.237 120.400 -0.025 0.000 2.240 238 D HA 0.106 4.747 4.640 0.001 0.000 0.206 238 D C -0.324 176.164 176.300 0.313 0.000 0.963 238 D CA 1.277 55.370 54.000 0.155 0.000 0.863 238 D CB 0.668 41.573 40.800 0.174 0.000 0.973 238 D HN 0.342 nan 8.370 nan 0.000 0.501 239 F N -2.265 117.706 119.950 0.036 0.000 2.799 239 F HA 0.463 4.990 4.527 0.001 0.000 0.316 239 F C -2.268 173.571 175.800 0.065 0.000 1.155 239 F CA -1.708 56.364 58.000 0.121 0.000 0.916 239 F CB 0.353 39.398 39.000 0.074 0.000 1.294 239 F HN -0.346 nan 8.300 nan 0.000 0.447 240 W N 1.748 123.207 121.300 0.266 0.000 2.529 240 W HA 0.535 5.196 4.660 0.001 0.000 0.321 240 W C -0.587 176.047 176.519 0.192 0.000 1.047 240 W CA -0.664 56.768 57.345 0.146 0.000 1.216 240 W CB 1.483 30.975 29.460 0.053 0.000 1.357 240 W HN 0.334 nan 8.180 nan 0.000 0.489 241 N N 3.903 122.839 118.700 0.393 0.000 2.645 241 N HA 0.133 4.873 4.740 0.001 0.000 0.233 241 N C -0.928 174.718 175.510 0.227 0.000 1.058 241 N CA -0.465 52.789 53.050 0.341 0.000 0.942 241 N CB 0.919 39.675 38.487 0.448 0.000 1.210 241 N HN 0.332 nan 8.380 nan 0.000 0.512 242 L N 2.463 123.745 121.223 0.099 0.000 2.418 242 L HA 0.178 4.519 4.340 0.001 0.000 0.274 242 L C 0.517 177.312 176.870 -0.125 0.000 1.135 242 L CA 0.382 55.202 54.840 -0.034 0.000 0.870 242 L CB 0.241 42.192 42.059 -0.181 0.000 1.154 242 L HN 0.386 nan 8.230 nan 0.000 0.462 243 M N 6.404 125.885 119.600 -0.199 0.000 3.422 243 M HA 0.220 4.701 4.480 0.001 0.000 0.248 243 M C 0.700 176.517 176.300 -0.805 0.000 1.433 243 M CA -0.094 54.798 55.300 -0.679 0.000 1.592 243 M CB 0.100 32.450 32.600 -0.417 0.000 1.078 243 M HN 0.789 nan 8.290 nan 0.000 0.578 244 A N 3.280 125.704 122.820 -0.660 0.000 3.077 244 A HA 0.373 4.694 4.320 0.001 0.000 0.255 244 A C -0.671 176.573 177.584 -0.566 0.000 1.728 244 A CA -0.098 51.738 52.037 -0.335 0.000 1.383 244 A CB -0.988 17.950 19.000 -0.103 0.000 1.097 244 A HN 0.745 nan 8.150 nan 0.000 0.634 245 Y N -4.454 115.546 120.300 -0.501 0.000 2.914 245 Y HA 0.505 5.055 4.550 0.001 0.000 0.327 245 Y C -0.268 175.393 175.900 -0.398 0.000 1.440 245 Y CA -1.720 56.006 58.100 -0.623 0.000 1.086 245 Y CB 0.112 38.418 38.460 -0.256 0.000 1.544 245 Y HN 0.181 nan 8.280 nan 0.000 0.442 246 D N -0.838 119.669 120.400 0.177 0.000 2.945 246 D HA -0.203 4.437 4.640 0.001 0.000 0.225 246 D C 0.321 176.843 176.300 0.371 0.000 1.158 246 D CA 1.134 55.323 54.000 0.314 0.000 0.805 246 D CB -1.357 39.588 40.800 0.241 0.000 1.098 246 D HN 0.635 nan 8.370 nan 0.000 0.426 247 Y N -0.576 119.890 120.300 0.276 0.000 2.439 247 Y HA 0.300 4.850 4.550 0.001 0.000 0.292 247 Y C 1.670 177.883 175.900 0.522 0.000 1.130 247 Y CA 0.688 58.963 58.100 0.292 0.000 1.254 247 Y CB 0.191 38.858 38.460 0.345 0.000 1.000 247 Y HN 0.248 nan 8.280 nan 0.000 0.554 248 A N -1.225 121.950 122.820 0.591 0.000 2.520 248 A HA 0.809 5.130 4.320 0.001 0.000 0.298 248 A C 0.140 177.760 177.584 0.061 0.000 1.051 248 A CA 0.069 52.329 52.037 0.372 0.000 0.690 248 A CB 1.228 20.392 19.000 0.275 0.000 1.281 248 A HN 0.269 nan 8.150 nan 0.000 0.402 249 G N -0.633 107.783 108.800 -0.640 0.000 2.500 249 G HA2 0.520 4.480 3.960 0.001 0.000 0.299 249 G HA3 0.520 4.480 3.960 0.001 0.000 0.299 249 G C 0.807 175.178 174.900 -0.882 0.000 1.242 249 G CA 0.663 45.172 45.100 -0.983 0.000 0.859 249 G HN 1.698 nan 8.290 nan 0.000 0.481 250 S N -0.452 114.868 115.700 -0.633 0.000 2.500 250 S HA -0.062 4.408 4.470 0.001 0.000 0.239 250 S C 1.804 176.392 174.600 -0.020 0.000 0.989 250 S CA 2.018 60.131 58.200 -0.146 0.000 0.951 250 S CB -0.607 62.575 63.200 -0.029 0.000 0.759 250 S HN 1.024 nan 8.310 nan 0.000 0.523 251 F N 1.306 121.351 119.950 0.159 0.000 2.797 251 F HA 0.528 5.056 4.527 0.001 0.000 0.302 251 F C 0.429 176.350 175.800 0.202 0.000 1.130 251 F CA -1.146 56.943 58.000 0.148 0.000 1.387 251 F CB -0.860 38.186 39.000 0.078 0.000 1.107 251 F HN -0.033 nan 8.300 nan 0.000 0.577 252 S N -0.071 115.685 115.700 0.093 0.000 2.608 252 S HA 0.280 4.750 4.470 0.001 0.000 0.291 252 S C 1.042 175.816 174.600 0.290 0.000 1.146 252 S CA -0.449 57.891 58.200 0.233 0.000 1.043 252 S CB 1.799 65.090 63.200 0.151 0.000 1.037 252 S HN 0.191 nan 8.310 nan 0.000 0.520 253 S N 0.763 116.588 115.700 0.209 0.000 2.387 253 S HA 0.121 4.592 4.470 0.001 0.000 0.226 253 S C 0.438 175.150 174.600 0.188 0.000 1.026 253 S CA 0.839 59.126 58.200 0.146 0.000 0.972 253 S CB -0.279 62.970 63.200 0.082 0.000 0.814 253 S HN 0.468 nan 8.310 nan 0.000 0.477 254 L N 0.468 121.806 121.223 0.191 0.000 2.327 254 L HA 0.443 4.784 4.340 0.001 0.000 0.258 254 L C 0.172 176.970 176.870 -0.121 0.000 1.024 254 L CA -0.935 53.984 54.840 0.132 0.000 0.825 254 L CB 1.839 43.888 42.059 -0.017 0.000 1.386 254 L HN 0.042 nan 8.230 nan 0.000 0.417 255 S N -0.281 115.169 115.700 -0.415 0.000 2.589 255 S HA 0.752 5.223 4.470 0.001 0.000 0.265 255 S C 0.006 174.022 174.600 -0.973 0.000 1.342 255 S CA 0.198 57.569 58.200 -1.381 0.000 1.005 255 S CB 1.330 63.809 63.200 -1.201 0.000 0.909 255 S HN 0.987 nan 8.310 nan 0.000 0.555 256 G N 0.112 108.219 108.800 -1.154 0.000 2.441 256 G HA2 0.402 4.363 3.960 0.001 0.000 0.294 256 G HA3 0.402 4.363 3.960 0.001 0.000 0.294 256 G C -1.780 172.864 174.900 -0.427 0.000 1.393 256 G CA -0.973 43.753 45.100 -0.624 0.000 0.796 256 G HN 0.789 nan 8.290 nan 0.000 0.494 257 H N 0.610 119.656 119.070 -0.039 0.000 2.646 257 H HA 0.203 4.759 4.556 0.001 0.000 0.325 257 H C 1.070 176.513 175.328 0.193 0.000 1.075 257 H CA 0.497 56.584 56.048 0.066 0.000 1.421 257 H CB 1.958 31.756 29.762 0.060 0.000 1.461 257 H HN 0.733 nan 8.280 nan 0.000 0.525 258 Q N 1.902 121.868 119.800 0.276 0.000 2.424 258 Q HA 0.255 4.595 4.340 0.001 0.000 0.204 258 Q C 0.581 176.534 176.000 -0.079 0.000 0.933 258 Q CA 0.743 56.671 55.803 0.210 0.000 0.929 258 Q CB 0.807 29.656 28.738 0.185 0.000 1.037 258 Q HN 0.503 nan 8.270 nan 0.000 0.511 259 A N 1.555 124.356 122.820 -0.030 0.000 2.524 259 A HA 0.154 4.475 4.320 0.001 0.000 0.267 259 A C -0.545 177.045 177.584 0.011 0.000 0.881 259 A CA -0.713 51.181 52.037 -0.239 0.000 1.077 259 A CB -0.226 18.688 19.000 -0.144 0.000 1.220 259 A HN 0.461 nan 8.150 nan 0.000 0.488 260 N N 0.383 119.198 118.700 0.193 0.000 2.441 260 N HA 0.103 4.844 4.740 0.001 0.000 0.251 260 N C 0.831 176.368 175.510 0.045 0.000 1.242 260 N CA 0.197 53.299 53.050 0.088 0.000 0.898 260 N CB 1.396 39.934 38.487 0.085 0.000 1.100 260 N HN -0.065 nan 8.380 nan 0.000 0.443 261 V N 1.041 120.834 119.914 -0.201 0.000 2.407 261 V HA -0.060 4.060 4.120 0.001 0.000 0.245 261 V C 0.001 175.763 176.094 -0.553 0.000 1.041 261 V CA 1.271 63.251 62.300 -0.534 0.000 1.040 261 V CB -0.725 30.460 31.823 -1.062 0.000 0.671 261 V HN 0.599 nan 8.190 nan 0.000 0.455 262 Y N -0.653 119.594 120.300 -0.087 0.000 2.549 262 Y HA 0.471 5.022 4.550 0.001 0.000 0.339 262 Y C 0.249 176.131 175.900 -0.030 0.000 1.053 262 Y CA -1.837 56.233 58.100 -0.051 0.000 1.105 262 Y CB 0.546 38.973 38.460 -0.056 0.000 1.258 262 Y HN 0.003 nan 8.280 nan 0.000 0.478 263 N N 1.077 119.873 118.700 0.160 0.000 2.518 263 N HA -0.005 4.735 4.740 0.001 0.000 0.266 263 N C -1.112 174.432 175.510 0.057 0.000 1.196 263 N CA 0.025 53.117 53.050 0.071 0.000 0.947 263 N CB 0.477 38.985 38.487 0.035 0.000 1.098 263 N HN 0.565 nan 8.380 nan 0.000 0.450 264 D N 1.545 121.969 120.400 0.039 0.000 2.479 264 D HA 0.082 4.722 4.640 0.001 0.000 0.218 264 D C 0.946 177.249 176.300 0.005 0.000 1.131 264 D CA -0.220 53.796 54.000 0.025 0.000 0.916 264 D CB 0.291 41.117 40.800 0.044 0.000 1.022 264 D HN 0.714 nan 8.370 nan 0.000 0.515 265 T N -0.056 114.495 114.554 -0.004 0.000 2.737 265 T HA -0.239 4.111 4.350 0.001 0.000 0.269 265 T C 1.756 176.446 174.700 -0.017 0.000 1.040 265 T CA 1.657 63.748 62.100 -0.015 0.000 1.142 265 T CB -0.277 68.579 68.868 -0.020 0.000 0.861 265 T HN 0.277 nan 8.240 nan 0.000 0.456 266 S N 0.929 116.620 115.700 -0.015 0.000 2.489 266 S HA 0.068 4.538 4.470 0.001 0.000 0.228 266 S C 1.019 175.607 174.600 -0.021 0.000 0.995 266 S CA 0.361 58.550 58.200 -0.018 0.000 0.934 266 S CB -0.523 62.668 63.200 -0.015 0.000 0.771 266 S HN 0.769 nan 8.310 nan 0.000 0.522 267 N N 1.045 119.735 118.700 -0.017 0.000 2.666 267 N HA 0.199 4.940 4.740 0.001 0.000 0.253 267 N C -2.466 173.029 175.510 -0.025 0.000 1.621 267 N CA -1.228 51.805 53.050 -0.028 0.000 0.785 267 N CB 1.177 39.646 38.487 -0.029 0.000 1.332 267 N HN 0.049 nan 8.380 nan 0.000 0.514 268 P HA -0.168 nan 4.420 nan 0.000 0.218 268 P C 1.292 178.559 177.300 -0.055 0.000 1.146 268 P CA 0.822 63.900 63.100 -0.037 0.000 0.813 268 P CB 0.406 32.080 31.700 -0.043 0.000 0.778 269 L N 0.286 121.470 121.223 -0.065 0.000 2.275 269 L HA -0.083 4.258 4.340 0.001 0.000 0.215 269 L C 2.650 179.459 176.870 -0.102 0.000 1.119 269 L CA 1.770 56.561 54.840 -0.081 0.000 0.790 269 L CB -0.940 41.071 42.059 -0.080 0.000 0.919 269 L HN 0.137 nan 8.230 nan 0.000 0.443 270 S N -1.732 113.906 115.700 -0.103 0.000 2.562 270 S HA -0.039 4.431 4.470 0.001 0.000 0.221 270 S C 1.088 175.676 174.600 -0.019 0.000 0.975 270 S CA 0.413 58.518 58.200 -0.158 0.000 0.918 270 S CB -0.408 62.666 63.200 -0.209 0.000 0.772 270 S HN 0.438 nan 8.310 nan 0.000 0.531 271 T N -0.521 114.048 114.554 0.025 0.000 3.401 271 T HA 0.456 4.806 4.350 0.001 0.000 0.341 271 T C -1.986 172.691 174.700 -0.038 0.000 1.674 271 T CA -1.458 60.688 62.100 0.076 0.000 1.600 271 T CB 1.264 70.190 68.868 0.096 0.000 0.974 271 T HN 0.030 nan 8.240 nan 0.000 0.672 272 P HA 0.065 nan 4.420 nan 0.000 0.225 272 P C -0.308 176.527 177.300 -0.775 0.000 1.148 272 P CA 0.558 63.436 63.100 -0.369 0.000 0.779 272 P CB -0.037 31.499 31.700 -0.273 0.000 0.780 273 F N -0.215 119.655 119.950 -0.132 0.000 2.664 273 F HA 0.423 4.951 4.527 0.001 0.000 0.317 273 F C 0.030 175.581 175.800 -0.415 0.000 1.108 273 F CA -0.924 56.844 58.000 -0.387 0.000 0.957 273 F CB 1.436 39.965 39.000 -0.786 0.000 1.365 273 F HN -0.192 nan 8.300 nan 0.000 0.475 274 N N -2.644 115.899 118.700 -0.261 0.000 2.446 274 N HA 0.314 5.054 4.740 0.001 0.000 0.272 274 N C -0.740 174.707 175.510 -0.103 0.000 1.127 274 N CA -0.701 52.277 53.050 -0.120 0.000 0.896 274 N CB 1.623 40.099 38.487 -0.019 0.000 1.658 274 N HN 0.376 nan 8.380 nan 0.000 0.483 275 T N -0.116 114.449 114.554 0.018 0.000 2.788 275 T HA -0.195 4.155 4.350 0.001 0.000 0.268 275 T C 1.441 176.155 174.700 0.023 0.000 1.044 275 T CA 1.709 63.839 62.100 0.050 0.000 1.139 275 T CB -0.285 68.601 68.868 0.029 0.000 0.867 275 T HN 0.639 nan 8.240 nan 0.000 0.454 276 Q N 1.162 120.940 119.800 -0.036 0.000 2.061 276 Q HA -0.126 4.214 4.340 0.001 0.000 0.204 276 Q C 2.303 178.354 176.000 0.084 0.000 0.984 276 Q CA 2.063 57.908 55.803 0.072 0.000 0.846 276 Q CB -0.996 27.813 28.738 0.118 0.000 0.902 276 Q HN 0.432 nan 8.270 nan 0.000 0.421 277 T N 0.268 114.854 114.554 0.053 0.000 2.684 277 T HA -0.187 4.163 4.350 0.001 0.000 0.267 277 T C 1.688 176.420 174.700 0.054 0.000 1.036 277 T CA 1.655 63.781 62.100 0.043 0.000 1.148 277 T CB -0.698 68.179 68.868 0.015 0.000 0.863 277 T HN 0.502 nan 8.240 nan 0.000 0.436 278 A N 0.986 123.846 122.820 0.066 0.000 1.902 278 A HA 0.010 4.331 4.320 0.001 0.000 0.217 278 A C 2.310 180.027 177.584 0.222 0.000 1.181 278 A CA 1.227 53.346 52.037 0.136 0.000 0.623 278 A CB -0.838 18.248 19.000 0.142 0.000 0.818 278 A HN 0.487 nan 8.150 nan 0.000 0.443 279 L N -0.623 120.679 121.223 0.131 0.000 2.141 279 L HA -0.167 4.174 4.340 0.001 0.000 0.209 279 L C 1.911 178.837 176.870 0.093 0.000 1.094 279 L CA 1.201 56.098 54.840 0.095 0.000 0.763 279 L CB -0.522 41.566 42.059 0.048 0.000 0.908 279 L HN 0.309 nan 8.230 nan 0.000 0.437 280 D N 0.019 120.465 120.400 0.077 0.000 2.144 280 D HA -0.126 4.515 4.640 0.001 0.000 0.200 280 D C 2.383 178.697 176.300 0.023 0.000 0.978 280 D CA 1.046 55.073 54.000 0.045 0.000 0.833 280 D CB -0.042 40.783 40.800 0.041 0.000 0.961 280 D HN 0.252 nan 8.370 nan 0.000 0.470 281 L N -0.401 120.834 121.223 0.020 0.000 2.056 281 L HA -0.192 4.149 4.340 0.001 0.000 0.207 281 L C 2.349 179.147 176.870 -0.121 0.000 1.078 281 L CA 0.984 55.787 54.840 -0.062 0.000 0.749 281 L CB -0.410 41.586 42.059 -0.105 0.000 0.901 281 L HN 0.061 nan 8.230 nan 0.000 0.433 282 Y N -0.150 120.066 120.300 -0.139 0.000 2.163 282 Y HA -0.181 4.369 4.550 0.001 0.000 0.288 282 Y C 2.864 178.652 175.900 -0.187 0.000 1.136 282 Y CA 1.257 59.223 58.100 -0.223 0.000 1.147 282 Y CB -0.212 38.072 38.460 -0.294 0.000 0.987 282 Y HN -0.007 nan 8.280 nan 0.000 0.509 283 R N -0.353 120.168 120.500 0.034 0.000 2.081 283 R HA -0.142 4.198 4.340 0.001 0.000 0.235 283 R C 2.437 178.721 176.300 -0.027 0.000 1.131 283 R CA 1.188 57.282 56.100 -0.010 0.000 0.960 283 R CB -0.807 29.489 30.300 -0.006 0.000 0.856 283 R HN 0.339 nan 8.270 nan 0.000 0.436 284 A N 0.595 123.397 122.820 -0.031 0.000 1.972 284 A HA -0.071 4.250 4.320 0.001 0.000 0.219 284 A C 2.199 179.749 177.584 -0.055 0.000 1.169 284 A CA 1.671 53.685 52.037 -0.038 0.000 0.635 284 A CB -0.716 18.261 19.000 -0.038 0.000 0.810 284 A HN 0.458 nan 8.150 nan 0.000 0.446 285 G N -2.080 106.669 108.800 -0.085 0.000 2.848 285 G HA2 0.339 4.300 3.960 0.001 0.000 0.208 285 G HA3 0.339 4.300 3.960 0.001 0.000 0.208 285 G C 1.123 175.979 174.900 -0.073 0.000 1.152 285 G CA 0.611 45.649 45.100 -0.102 0.000 0.789 285 G HN 1.651 nan 8.290 nan 0.000 0.531 286 G N -1.527 107.241 108.800 -0.054 0.000 2.179 286 G HA2 -0.223 3.738 3.960 0.001 0.000 0.220 286 G HA3 -0.223 3.738 3.960 0.001 0.000 0.220 286 G C 0.171 175.059 174.900 -0.021 0.000 0.990 286 G CA 0.006 45.089 45.100 -0.028 0.000 0.646 286 G HN 0.653 nan 8.290 nan 0.000 0.517 287 V N 2.394 122.271 119.914 -0.061 0.000 2.461 287 V HA 0.424 4.544 4.120 0.001 0.000 0.275 287 V C -1.471 174.593 176.094 -0.049 0.000 1.047 287 V CA -1.340 60.912 62.300 -0.079 0.000 0.955 287 V CB 1.276 32.926 31.823 -0.288 0.000 0.988 287 V HN 0.141 nan 8.190 nan 0.000 0.471 288 P HA 0.163 nan 4.420 nan 0.000 0.268 288 P C 0.594 177.884 177.300 -0.017 0.000 1.205 288 P CA -0.064 63.039 63.100 0.004 0.000 0.771 288 P CB 0.885 32.607 31.700 0.038 0.000 0.858 289 A N 3.998 126.802 122.820 -0.027 0.000 1.940 289 A HA -0.233 4.087 4.320 0.001 0.000 0.219 289 A C 1.587 179.159 177.584 -0.020 0.000 1.176 289 A CA 2.057 54.068 52.037 -0.043 0.000 0.631 289 A CB -1.414 17.557 19.000 -0.047 0.000 0.814 289 A HN 0.713 nan 8.150 nan 0.000 0.446 290 N N -0.577 118.124 118.700 0.002 0.000 2.575 290 N HA -0.045 4.696 4.740 0.001 0.000 0.192 290 N C 0.673 176.212 175.510 0.048 0.000 1.200 290 N CA 0.939 53.998 53.050 0.014 0.000 0.897 290 N CB -0.227 38.258 38.487 -0.004 0.000 0.990 290 N HN 0.551 nan 8.380 nan 0.000 0.449 291 K N -0.182 120.269 120.400 0.085 0.000 2.402 291 K HA 0.314 4.634 4.320 0.001 0.000 0.204 291 K C -0.257 176.490 176.600 0.245 0.000 1.056 291 K CA -0.094 56.320 56.287 0.211 0.000 1.069 291 K CB 0.864 33.545 32.500 0.302 0.000 0.888 291 K HN 0.215 nan 8.250 nan 0.000 0.546 292 I N 2.129 122.739 120.570 0.067 0.000 2.330 292 I HA 0.174 4.344 4.170 0.001 0.000 0.289 292 I C -0.423 175.689 176.117 -0.008 0.000 1.001 292 I CA -0.953 60.342 61.300 -0.008 0.000 1.193 292 I CB 1.641 39.523 38.000 -0.197 0.000 1.345 292 I HN -0.295 nan 8.210 nan 0.000 0.461 293 V N 7.057 126.995 119.914 0.040 0.000 2.407 293 V HA 0.207 4.327 4.120 0.001 0.000 0.278 293 V C 0.031 176.097 176.094 -0.047 0.000 1.037 293 V CA -0.688 61.595 62.300 -0.028 0.000 0.900 293 V CB 1.748 33.554 31.823 -0.029 0.000 0.983 293 V HN 0.434 nan 8.190 nan 0.000 0.459 294 L N 5.707 126.870 121.223 -0.099 0.000 2.342 294 L HA 0.562 4.902 4.340 0.001 0.000 0.285 294 L C 0.869 177.654 176.870 -0.143 0.000 1.095 294 L CA 0.541 55.320 54.840 -0.102 0.000 0.843 294 L CB 0.240 42.255 42.059 -0.073 0.000 1.201 294 L HN 0.732 nan 8.230 nan 0.000 0.445 295 G N 5.828 114.586 108.800 -0.070 0.000 2.442 295 G HA2 0.470 4.430 3.960 0.001 0.000 0.249 295 G HA3 0.470 4.430 3.960 0.001 0.000 0.249 295 G C -0.545 174.410 174.900 0.092 0.000 1.263 295 G CA -0.528 44.595 45.100 0.040 0.000 0.846 295 G HN 0.615 nan 8.290 nan 0.000 0.555 296 M N 3.234 122.906 119.600 0.121 0.000 2.446 296 M HA 0.337 4.817 4.480 0.001 0.000 0.294 296 M C -2.529 173.861 176.300 0.150 0.000 1.158 296 M CA -1.833 53.534 55.300 0.112 0.000 0.899 296 M CB 3.626 36.166 32.600 -0.100 0.000 1.687 296 M HN 0.307 nan 8.290 nan 0.000 0.455 297 P HA 0.268 nan 4.420 nan 0.000 0.284 297 P C -0.710 176.490 177.300 -0.167 0.000 1.253 297 P CA -0.335 62.510 63.100 -0.425 0.000 0.800 297 P CB 1.104 32.162 31.700 -1.070 0.000 0.961 298 L N 2.733 123.965 121.223 0.015 0.000 2.928 298 L HA 0.254 4.594 4.340 0.001 0.000 0.246 298 L C -0.074 176.962 176.870 0.278 0.000 1.239 298 L CA -0.332 54.591 54.840 0.137 0.000 1.035 298 L CB -0.551 41.613 42.059 0.175 0.000 1.360 298 L HN 0.469 nan 8.230 nan 0.000 0.529 299 Y N -2.887 117.530 120.300 0.196 0.000 2.615 299 Y HA 0.867 5.417 4.550 0.001 0.000 0.341 299 Y C -0.093 175.952 175.900 0.241 0.000 1.089 299 Y CA -1.446 56.788 58.100 0.223 0.000 1.049 299 Y CB 0.941 39.519 38.460 0.197 0.000 1.296 299 Y HN -0.138 nan 8.280 nan 0.000 0.470 300 G N 0.992 110.035 108.800 0.405 0.000 2.481 300 G HA2 0.686 4.647 3.960 0.001 0.000 0.315 300 G HA3 0.686 4.647 3.960 0.001 0.000 0.315 300 G C -1.574 173.562 174.900 0.393 0.000 1.231 300 G CA -1.518 43.803 45.100 0.369 0.000 0.968 300 G HN 0.642 nan 8.290 nan 0.000 0.482 301 R N 0.503 121.157 120.500 0.256 0.000 2.387 301 R HA 0.531 4.872 4.340 0.001 0.000 0.314 301 R C -0.030 176.167 176.300 -0.172 0.000 0.958 301 R CA -0.482 55.646 56.100 0.047 0.000 0.846 301 R CB 1.858 32.142 30.300 -0.027 0.000 1.147 301 R HN 0.676 nan 8.270 nan 0.000 0.447 302 S N 1.945 117.474 115.700 -0.285 0.000 2.690 302 S HA 0.695 5.166 4.470 0.001 0.000 0.291 302 S C -0.579 173.455 174.600 -0.943 0.000 1.138 302 S CA -0.705 57.215 58.200 -0.467 0.000 1.013 302 S CB 1.048 64.111 63.200 -0.227 0.000 1.053 302 S HN 0.375 nan 8.310 nan 0.000 0.539 303 F N -0.161 119.542 119.950 -0.412 0.000 2.573 303 F HA 0.696 5.223 4.527 0.001 0.000 0.316 303 F C 0.262 176.018 175.800 -0.073 0.000 1.148 303 F CA -0.821 57.002 58.000 -0.294 0.000 0.940 303 F CB 1.775 40.483 39.000 -0.487 0.000 1.214 303 F HN 0.931 nan 8.300 nan 0.000 0.448 304 A N 2.259 125.332 122.820 0.421 0.000 2.295 304 A HA 0.616 4.937 4.320 0.001 0.000 0.318 304 A C 0.260 178.086 177.584 0.404 0.000 1.134 304 A CA -0.740 51.622 52.037 0.543 0.000 0.827 304 A CB 0.306 19.631 19.000 0.540 0.000 1.136 304 A HN 0.887 nan 8.150 nan 0.000 0.493 305 N N -0.078 118.816 118.700 0.325 0.000 2.714 305 N HA -0.140 4.600 4.740 0.001 0.000 0.253 305 N C -0.307 175.346 175.510 0.238 0.000 1.024 305 N CA 1.534 54.723 53.050 0.231 0.000 0.726 305 N CB -1.196 37.397 38.487 0.177 0.000 0.908 305 N HN 0.815 nan 8.380 nan 0.000 0.542 306 T N -1.151 113.566 114.554 0.271 0.000 2.893 306 T HA 0.285 4.635 4.350 0.001 0.000 0.291 306 T C 0.704 175.557 174.700 0.254 0.000 1.028 306 T CA -0.665 61.571 62.100 0.227 0.000 0.995 306 T CB 1.323 70.305 68.868 0.190 0.000 1.051 306 T HN -0.036 nan 8.240 nan 0.000 0.470 307 D N 2.204 122.680 120.400 0.126 0.000 2.183 307 D HA 0.220 4.861 4.640 0.001 0.000 0.203 307 D C 1.078 177.284 176.300 -0.158 0.000 0.969 307 D CA 1.076 55.124 54.000 0.081 0.000 0.842 307 D CB 0.278 41.085 40.800 0.011 0.000 0.957 307 D HN 0.796 nan 8.370 nan 0.000 0.484 308 G N -0.525 108.143 108.800 -0.221 0.000 2.325 308 G HA2 0.269 4.230 3.960 0.001 0.000 0.295 308 G HA3 0.269 4.230 3.960 0.001 0.000 0.295 308 G C -3.018 171.629 174.900 -0.422 0.000 1.274 308 G CA -0.907 43.921 45.100 -0.454 0.000 0.857 308 G HN -0.248 nan 8.290 nan 0.000 0.499 309 P HA 0.375 nan 4.420 nan 0.000 0.268 309 P C 0.767 177.804 177.300 -0.439 0.000 1.204 309 P CA 1.894 64.602 63.100 -0.654 0.000 0.768 309 P CB 1.010 32.212 31.700 -0.831 0.000 0.842 310 G N 1.038 109.579 108.800 -0.431 0.000 2.176 310 G HA2 -0.203 3.757 3.960 0.001 0.000 0.252 310 G HA3 -0.203 3.757 3.960 0.001 0.000 0.252 310 G C -0.004 174.783 174.900 -0.189 0.000 1.024 310 G CA -0.082 44.857 45.100 -0.269 0.000 0.755 310 G HN 0.467 nan 8.290 nan 0.000 0.507 311 K N -0.468 119.815 120.400 -0.195 0.000 2.400 311 K HA 0.576 4.896 4.320 0.001 0.000 0.246 311 K C -2.685 173.909 176.600 -0.010 0.000 0.995 311 K CA -2.241 53.988 56.287 -0.096 0.000 0.840 311 K CB 1.779 34.223 32.500 -0.092 0.000 1.293 311 K HN -0.072 nan 8.250 nan 0.000 0.445 312 P HA 0.045 nan 4.420 nan 0.000 0.268 312 P C -1.063 176.337 177.300 0.166 0.000 1.208 312 P CA 0.267 63.407 63.100 0.067 0.000 0.777 312 P CB 0.163 31.869 31.700 0.010 0.000 0.875 313 Y N -0.457 119.859 120.300 0.026 0.000 2.677 313 Y HA 0.728 5.279 4.550 0.001 0.000 0.334 313 Y C -1.251 174.706 175.900 0.096 0.000 1.154 313 Y CA -1.561 56.589 58.100 0.083 0.000 1.070 313 Y CB 1.234 39.781 38.460 0.146 0.000 1.294 313 Y HN 0.197 nan 8.280 nan 0.000 0.475 314 N N 0.774 119.549 118.700 0.125 0.000 2.581 314 N HA 0.535 5.275 4.740 0.001 0.000 0.279 314 N C -0.589 175.026 175.510 0.175 0.000 1.124 314 N CA 0.675 53.733 53.050 0.015 0.000 0.833 314 N CB 1.398 39.901 38.487 0.027 0.000 1.338 314 N HN 1.489 nan 8.380 nan 0.000 0.533 315 G N 0.486 109.399 108.800 0.188 0.000 2.746 315 G HA2 -0.106 3.854 3.960 0.001 0.000 0.685 315 G HA3 -0.106 3.854 3.960 0.001 0.000 0.685 315 G C 0.153 175.271 174.900 0.363 0.000 1.350 315 G CA -0.272 44.971 45.100 0.238 0.000 0.837 315 G HN 1.298 nan 8.290 nan 0.000 0.564 316 V N -1.825 118.246 119.914 0.263 0.000 3.330 316 V HA 0.700 4.821 4.120 0.001 0.000 0.309 316 V C 1.601 177.933 176.094 0.396 0.000 1.481 316 V CA 1.063 63.494 62.300 0.219 0.000 1.068 316 V CB -0.126 31.700 31.823 0.006 0.000 0.935 316 V HN 2.999 nan 8.190 nan 0.000 0.453 317 G N 1.063 110.090 108.800 0.378 0.000 2.796 317 G HA2 -0.214 3.746 3.960 0.001 0.000 0.226 317 G HA3 -0.214 3.746 3.960 0.001 0.000 0.226 317 G C -0.295 174.732 174.900 0.211 0.000 1.381 317 G CA 0.415 45.733 45.100 0.362 0.000 0.867 317 G HN 0.626 nan 8.290 nan 0.000 0.552 318 Q N -0.611 119.288 119.800 0.166 0.000 2.618 318 Q HA 0.560 4.901 4.340 0.001 0.000 0.194 318 Q C 1.015 176.606 176.000 -0.682 0.000 1.131 318 Q CA 0.343 56.066 55.803 -0.133 0.000 0.910 318 Q CB 0.208 28.897 28.738 -0.082 0.000 3.508 318 Q HN 1.645 nan 8.270 nan 0.000 0.473 319 G N -1.452 106.625 108.800 -1.205 0.000 2.428 319 G HA2 0.219 4.179 3.960 0.001 0.000 0.304 319 G HA3 0.219 4.179 3.960 0.001 0.000 0.304 319 G C -0.362 173.816 174.900 -1.203 0.000 1.303 319 G CA -0.218 43.734 45.100 -1.914 0.000 0.825 319 G HN 0.369 nan 8.290 nan 0.000 0.484 320 S N -1.189 113.967 115.700 -0.906 0.000 2.356 320 S HA 0.060 4.531 4.470 0.001 0.000 0.219 320 S C 1.281 175.157 174.600 -1.207 0.000 1.036 320 S CA 1.591 59.212 58.200 -0.966 0.000 0.965 320 S CB -0.103 62.557 63.200 -0.899 0.000 0.864 320 S HN 0.594 nan 8.310 nan 0.000 0.471 321 W N 1.608 122.834 121.300 -0.124 0.000 2.661 321 W HA 0.351 5.011 4.660 0.001 0.000 0.288 321 W C 0.151 176.612 176.519 -0.097 0.000 1.014 321 W CA -0.568 56.740 57.345 -0.063 0.000 1.396 321 W CB 0.639 30.109 29.460 0.018 0.000 0.963 321 W HN 0.168 nan 8.180 nan 0.000 0.584 322 E N 0.467 120.647 120.200 -0.033 0.000 2.343 322 E HA 0.305 4.656 4.350 0.001 0.000 0.278 322 E C -1.023 175.453 176.600 -0.208 0.000 0.910 322 E CA -1.072 55.281 56.400 -0.079 0.000 0.757 322 E CB 0.816 30.495 29.700 -0.036 0.000 1.218 322 E HN -0.274 nan 8.360 nan 0.000 0.435 323 N N 0.669 119.264 118.700 -0.176 0.000 2.412 323 N HA 0.269 5.009 4.740 0.001 0.000 0.254 323 N C 1.039 176.430 175.510 -0.198 0.000 1.232 323 N CA 1.999 54.926 53.050 -0.204 0.000 0.880 323 N CB 0.744 39.172 38.487 -0.098 0.000 1.076 323 N HN 0.921 nan 8.380 nan 0.000 0.458 324 G N -0.398 108.259 108.800 -0.238 0.000 2.176 324 G HA2 -0.238 3.723 3.960 0.001 0.000 0.253 324 G HA3 -0.238 3.723 3.960 0.001 0.000 0.253 324 G C -0.352 174.425 174.900 -0.205 0.000 0.979 324 G CA 0.342 45.347 45.100 -0.159 0.000 0.641 324 G HN 0.515 nan 8.290 nan 0.000 0.530 325 V N -0.192 119.501 119.914 -0.369 0.000 2.588 325 V HA 0.778 4.898 4.120 0.001 0.000 0.304 325 V C -0.650 175.216 176.094 -0.380 0.000 1.042 325 V CA -0.855 61.331 62.300 -0.190 0.000 0.877 325 V CB 1.460 33.224 31.823 -0.098 0.000 0.996 325 V HN 0.319 nan 8.190 nan 0.000 0.425 326 W N 1.197 122.555 121.300 0.097 0.000 2.785 326 W HA 0.560 5.221 4.660 0.001 0.000 0.333 326 W C -0.278 176.310 176.519 0.116 0.000 1.062 326 W CA -0.684 56.688 57.345 0.044 0.000 1.233 326 W CB 0.937 30.398 29.460 0.001 0.000 1.413 326 W HN 0.409 nan 8.180 nan 0.000 0.489 327 D N 1.372 121.951 120.400 0.298 0.000 2.455 327 D HA -0.116 4.524 4.640 0.001 0.000 0.241 327 D C 0.868 177.297 176.300 0.215 0.000 1.138 327 D CA 0.178 54.352 54.000 0.290 0.000 0.877 327 D CB 0.526 41.478 40.800 0.253 0.000 1.187 327 D HN 0.468 nan 8.370 nan 0.000 0.451 328 Y N 3.702 124.067 120.300 0.109 0.000 2.207 328 Y HA -0.262 4.288 4.550 0.001 0.000 0.287 328 Y C 1.951 177.833 175.900 -0.030 0.000 1.156 328 Y CA 1.937 60.040 58.100 0.005 0.000 1.182 328 Y CB -0.003 38.495 38.460 0.063 0.000 0.979 328 Y HN 0.436 nan 8.280 nan 0.000 0.521 329 K N -0.020 120.255 120.400 -0.208 0.000 2.519 329 K HA 0.064 4.385 4.320 0.001 0.000 0.196 329 K C 1.622 178.084 176.600 -0.229 0.000 1.041 329 K CA 1.092 57.193 56.287 -0.310 0.000 0.954 329 K CB -0.337 32.105 32.500 -0.098 0.000 0.774 329 K HN 0.291 nan 8.250 nan 0.000 0.480 330 A N 1.139 123.865 122.820 -0.157 0.000 2.308 330 A HA 0.283 4.603 4.320 0.001 0.000 0.217 330 A C 0.501 177.956 177.584 -0.216 0.000 1.216 330 A CA -0.333 51.633 52.037 -0.118 0.000 0.864 330 A CB -0.003 19.002 19.000 0.008 0.000 0.902 330 A HN 0.202 nan 8.150 nan 0.000 0.499 331 L N 0.690 121.705 121.223 -0.347 0.000 2.330 331 L HA 0.455 4.795 4.340 0.001 0.000 0.271 331 L C -2.364 174.322 176.870 -0.306 0.000 1.013 331 L CA -2.478 52.104 54.840 -0.431 0.000 0.816 331 L CB 1.672 43.205 42.059 -0.876 0.000 1.287 331 L HN -0.007 nan 8.230 nan 0.000 0.435 332 P HA 0.167 nan 4.420 nan 0.000 0.276 332 P C -1.435 175.778 177.300 -0.145 0.000 1.244 332 P CA -0.589 62.444 63.100 -0.112 0.000 0.801 332 P CB 0.896 32.624 31.700 0.046 0.000 1.006 333 Q N 0.332 120.033 119.800 -0.165 0.000 2.299 333 Q HA 0.463 4.804 4.340 0.001 0.000 0.246 333 Q C 0.269 176.202 176.000 -0.111 0.000 0.935 333 Q CA -0.695 55.004 55.803 -0.173 0.000 0.887 333 Q CB 0.742 29.326 28.738 -0.257 0.000 1.223 333 Q HN 0.538 nan 8.270 nan 0.000 0.439 334 A N 1.081 123.840 122.820 -0.102 0.000 2.603 334 A HA 0.279 4.599 4.320 0.001 0.000 0.235 334 A C 1.255 178.797 177.584 -0.069 0.000 1.035 334 A CA 0.984 52.977 52.037 -0.074 0.000 0.755 334 A CB -0.761 18.197 19.000 -0.070 0.000 0.954 334 A HN 1.048 nan 8.150 nan 0.000 0.511 335 G N 0.530 109.300 108.800 -0.050 0.000 2.225 335 G HA2 0.159 4.120 3.960 0.001 0.000 0.254 335 G HA3 0.159 4.120 3.960 0.001 0.000 0.254 335 G C 0.517 175.398 174.900 -0.031 0.000 0.988 335 G CA 0.695 45.770 45.100 -0.042 0.000 0.625 335 G HN 2.310 nan 8.290 nan 0.000 0.527 336 A N -0.270 122.535 122.820 -0.026 0.000 2.306 336 A HA 0.856 5.176 4.320 0.001 0.000 0.330 336 A C 0.158 177.742 177.584 -0.001 0.000 1.146 336 A CA 0.566 52.604 52.037 0.003 0.000 0.827 336 A CB 1.247 20.262 19.000 0.025 0.000 1.178 336 A HN 0.674 nan 8.150 nan 0.000 0.490 337 T N 1.919 116.477 114.554 0.006 0.000 2.823 337 T HA 0.387 4.738 4.350 0.001 0.000 0.279 337 T C -0.367 174.161 174.700 -0.288 0.000 0.998 337 T CA -0.385 61.647 62.100 -0.113 0.000 0.994 337 T CB 1.034 69.841 68.868 -0.101 0.000 0.960 337 T HN 0.676 nan 8.240 nan 0.000 0.448 338 E N 2.326 122.330 120.200 -0.326 0.000 2.343 338 E HA 0.268 4.619 4.350 0.001 0.000 0.269 338 E C -0.420 175.728 176.600 -0.753 0.000 1.047 338 E CA -0.604 55.566 56.400 -0.383 0.000 0.874 338 E CB 0.695 30.294 29.700 -0.168 0.000 1.033 338 E HN 0.548 nan 8.360 nan 0.000 0.409 339 H N 0.276 119.081 119.070 -0.443 0.000 2.717 339 H HA 0.420 4.977 4.556 0.001 0.000 0.366 339 H C -0.884 174.196 175.328 -0.413 0.000 1.132 339 H CA -0.659 55.088 56.048 -0.502 0.000 1.180 339 H CB 1.723 30.952 29.762 -0.888 0.000 1.678 339 H HN 0.159 nan 8.280 nan 0.000 0.537 340 V N 3.554 123.410 119.914 -0.098 0.000 2.735 340 V HA 0.325 4.446 4.120 0.001 0.000 0.310 340 V C -0.090 176.004 176.094 -0.001 0.000 1.061 340 V CA -0.754 61.513 62.300 -0.056 0.000 0.913 340 V CB 2.505 34.297 31.823 -0.052 0.000 1.005 340 V HN 0.511 nan 8.190 nan 0.000 0.428 341 L N 5.451 126.673 121.223 -0.001 0.000 2.457 341 L HA 0.340 4.681 4.340 0.001 0.000 0.252 341 L C -1.896 174.962 176.870 -0.021 0.000 1.132 341 L CA -1.368 53.471 54.840 -0.003 0.000 0.938 341 L CB 1.753 43.801 42.059 -0.018 0.000 1.246 341 L HN 0.439 nan 8.230 nan 0.000 0.476 342 P HA -0.176 nan 4.420 nan 0.000 0.216 342 P C 0.680 177.994 177.300 0.022 0.000 1.150 342 P CA 1.228 64.330 63.100 0.003 0.000 0.843 342 P CB 0.284 31.988 31.700 0.006 0.000 0.787 343 D N -1.184 119.223 120.400 0.011 0.000 2.378 343 D HA -0.035 4.606 4.640 0.001 0.000 0.227 343 D C 1.476 177.827 176.300 0.086 0.000 1.012 343 D CA 0.716 54.724 54.000 0.013 0.000 0.905 343 D CB -0.229 40.550 40.800 -0.035 0.000 0.895 343 D HN 0.386 nan 8.370 nan 0.000 0.532 344 I N -4.508 116.102 120.570 0.067 0.000 4.240 344 I HA 0.246 4.416 4.170 0.001 0.000 0.331 344 I C 0.017 176.127 176.117 -0.011 0.000 1.381 344 I CA -0.326 61.024 61.300 0.084 0.000 1.136 344 I CB 0.030 38.013 38.000 -0.028 0.000 1.137 344 I HN -0.275 nan 8.210 nan 0.000 0.411 345 M N 1.783 121.376 119.600 -0.011 0.000 2.303 345 M HA -0.197 4.283 4.480 0.001 0.000 0.189 345 M C -0.108 176.135 176.300 -0.095 0.000 0.688 345 M CA 0.874 56.135 55.300 -0.065 0.000 0.479 345 M CB -1.546 30.976 32.600 -0.131 0.000 1.094 345 M HN 0.695 nan 8.290 nan 0.000 0.907 346 A N 0.429 123.184 122.820 -0.108 0.000 2.556 346 A HA 0.961 5.281 4.320 0.001 0.000 0.294 346 A C -0.106 177.439 177.584 -0.065 0.000 1.091 346 A CA 0.104 52.070 52.037 -0.119 0.000 0.704 346 A CB 1.878 20.698 19.000 -0.300 0.000 1.300 346 A HN 0.670 nan 8.150 nan 0.000 0.406 347 S N -0.380 115.306 115.700 -0.024 0.000 2.588 347 S HA 0.919 5.389 4.470 0.001 0.000 0.275 347 S C -0.957 173.647 174.600 0.008 0.000 1.130 347 S CA -0.541 57.623 58.200 -0.060 0.000 0.855 347 S CB 1.373 64.453 63.200 -0.200 0.000 1.116 347 S HN 1.970 nan 8.310 nan 0.000 0.472 348 Y N -1.572 118.644 120.300 -0.140 0.000 2.656 348 Y HA 0.816 5.367 4.550 0.001 0.000 0.334 348 Y C -0.818 175.100 175.900 0.031 0.000 1.179 348 Y CA -0.927 57.118 58.100 -0.092 0.000 1.050 348 Y CB 0.657 39.181 38.460 0.107 0.000 1.308 348 Y HN 0.955 nan 8.280 nan 0.000 0.456 349 S N 1.012 116.900 115.700 0.314 0.000 2.578 349 S HA 0.790 5.260 4.470 0.001 0.000 0.301 349 S C -1.744 173.144 174.600 0.481 0.000 1.091 349 S CA -0.610 57.766 58.200 0.292 0.000 1.032 349 S CB 2.210 65.630 63.200 0.366 0.000 1.064 349 S HN 0.940 nan 8.310 nan 0.000 0.508 350 Y N 0.636 121.086 120.300 0.251 0.000 2.479 350 Y HA 0.500 5.050 4.550 0.001 0.000 0.338 350 Y C -1.884 174.136 175.900 0.200 0.000 1.055 350 Y CA -0.888 57.382 58.100 0.284 0.000 1.023 350 Y CB 2.023 40.725 38.460 0.404 0.000 1.287 350 Y HN 0.862 nan 8.280 nan 0.000 0.447 351 D N 4.188 124.321 120.400 -0.444 0.000 2.454 351 D HA 0.421 5.061 4.640 0.001 0.000 0.247 351 D C 0.295 176.282 176.300 -0.522 0.000 1.129 351 D CA 0.234 54.062 54.000 -0.286 0.000 0.877 351 D CB 1.869 42.595 40.800 -0.124 0.000 1.082 351 D HN 0.804 nan 8.370 nan 0.000 0.537 352 A N 2.861 125.523 122.820 -0.262 0.000 1.972 352 A HA -0.161 4.159 4.320 0.001 0.000 0.219 352 A C 2.073 179.627 177.584 -0.050 0.000 1.169 352 A CA 2.190 54.179 52.037 -0.080 0.000 0.635 352 A CB -0.696 18.395 19.000 0.152 0.000 0.810 352 A HN 0.664 nan 8.150 nan 0.000 0.446 353 T N -0.149 114.373 114.554 -0.052 0.000 2.720 353 T HA -0.203 4.148 4.350 0.001 0.000 0.268 353 T C 1.211 175.891 174.700 -0.033 0.000 1.037 353 T CA 1.668 63.751 62.100 -0.028 0.000 1.144 353 T CB -0.567 68.284 68.868 -0.030 0.000 0.864 353 T HN 0.654 nan 8.240 nan 0.000 0.444 354 N N 0.314 118.977 118.700 -0.062 0.000 2.187 354 N HA 0.146 4.886 4.740 0.001 0.000 0.212 354 N C -0.047 175.467 175.510 0.006 0.000 1.152 354 N CA -0.366 52.664 53.050 -0.032 0.000 0.872 354 N CB -0.070 38.380 38.487 -0.061 0.000 1.025 354 N HN 0.504 nan 8.380 nan 0.000 0.514 355 K N -0.203 120.153 120.400 -0.072 0.000 3.096 355 K HA -0.207 4.114 4.320 0.001 0.000 0.266 355 K C -1.187 175.477 176.600 0.106 0.000 1.043 355 K CA 0.391 56.661 56.287 -0.028 0.000 0.758 355 K CB -1.918 30.671 32.500 0.149 0.000 1.260 355 K HN 0.260 nan 8.250 nan 0.000 0.481 356 F N 1.627 121.451 119.950 -0.209 0.000 2.404 356 F HA 0.389 4.916 4.527 0.001 0.000 0.354 356 F C 0.040 175.864 175.800 0.039 0.000 1.122 356 F CA -1.437 56.541 58.000 -0.037 0.000 1.080 356 F CB 0.886 39.844 39.000 -0.070 0.000 1.131 356 F HN 0.008 nan 8.300 nan 0.000 0.471 357 L N 7.805 128.988 121.223 -0.068 0.000 2.329 357 L HA 0.612 4.953 4.340 0.001 0.000 0.279 357 L C -1.161 175.673 176.870 -0.061 0.000 1.014 357 L CA -0.600 54.330 54.840 0.151 0.000 0.814 357 L CB 1.555 43.759 42.059 0.241 0.000 1.257 357 L HN 0.538 nan 8.230 nan 0.000 0.424 358 I N 3.217 123.869 120.570 0.136 0.000 2.499 358 I HA 0.190 4.361 4.170 0.001 0.000 0.288 358 I C -0.136 176.217 176.117 0.393 0.000 1.048 358 I CA -0.460 60.945 61.300 0.176 0.000 1.062 358 I CB 2.126 40.202 38.000 0.126 0.000 1.238 358 I HN 0.552 nan 8.210 nan 0.000 0.426 359 S N 7.099 123.012 115.700 0.356 0.000 2.404 359 S HA 0.608 5.079 4.470 0.001 0.000 0.309 359 S C -0.961 173.836 174.600 0.329 0.000 1.076 359 S CA -0.289 58.100 58.200 0.315 0.000 1.095 359 S CB -0.096 63.279 63.200 0.292 0.000 0.972 359 S HN 0.477 nan 8.310 nan 0.000 0.484 360 Y N 0.885 121.282 120.300 0.162 0.000 2.625 360 Y HA 0.682 5.232 4.550 0.001 0.000 0.338 360 Y C -1.172 174.772 175.900 0.074 0.000 1.123 360 Y CA -1.604 56.550 58.100 0.091 0.000 1.046 360 Y CB 0.386 38.938 38.460 0.155 0.000 1.299 360 Y HN 0.255 nan 8.280 nan 0.000 0.464 361 D N 2.094 122.528 120.400 0.057 0.000 2.225 361 D HA 0.225 4.865 4.640 0.001 0.000 0.248 361 D C -0.502 175.792 176.300 -0.010 0.000 1.096 361 D CA -0.106 53.859 54.000 -0.059 0.000 0.863 361 D CB 1.089 41.849 40.800 -0.067 0.000 1.156 361 D HN 0.711 nan 8.370 nan 0.000 0.450 362 N N 1.305 119.991 118.700 -0.022 0.000 2.604 362 N HA 0.396 5.137 4.740 0.001 0.000 0.297 362 N C -2.351 173.188 175.510 0.048 0.000 1.266 362 N CA -1.590 51.533 53.050 0.121 0.000 0.961 362 N CB -0.194 38.369 38.487 0.128 0.000 1.166 362 N HN -0.102 nan 8.380 nan 0.000 0.601 363 P HA -0.157 nan 4.420 nan 0.000 0.216 363 P C 1.344 178.669 177.300 0.042 0.000 1.150 363 P CA 1.591 64.733 63.100 0.070 0.000 0.837 363 P CB 0.201 31.959 31.700 0.098 0.000 0.786 364 Q N -0.198 119.622 119.800 0.032 0.000 2.084 364 Q HA -0.138 4.203 4.340 0.001 0.000 0.202 364 Q C 1.837 177.842 176.000 0.009 0.000 0.978 364 Q CA 1.569 57.382 55.803 0.017 0.000 0.844 364 Q CB -0.454 28.287 28.738 0.005 0.000 0.898 364 Q HN 0.031 nan 8.270 nan 0.000 0.426 365 V N 0.831 120.742 119.914 -0.006 0.000 2.427 365 V HA -0.228 3.893 4.120 0.001 0.000 0.248 365 V C 2.341 178.436 176.094 0.001 0.000 1.051 365 V CA 1.614 63.904 62.300 -0.017 0.000 1.048 365 V CB -0.929 30.867 31.823 -0.044 0.000 0.666 365 V HN 0.516 nan 8.190 nan 0.000 0.456 366 A N 0.274 123.105 122.820 0.018 0.000 1.902 366 A HA -0.233 4.087 4.320 0.001 0.000 0.217 366 A C 2.107 179.727 177.584 0.060 0.000 1.181 366 A CA 1.973 54.044 52.037 0.057 0.000 0.623 366 A CB -0.639 18.407 19.000 0.076 0.000 0.818 366 A HN 0.576 nan 8.150 nan 0.000 0.443 367 N N 0.087 118.816 118.700 0.048 0.000 2.120 367 N HA -0.095 4.645 4.740 0.001 0.000 0.188 367 N C 1.720 177.257 175.510 0.043 0.000 1.024 367 N CA 1.379 54.456 53.050 0.046 0.000 0.852 367 N CB -0.421 38.089 38.487 0.039 0.000 1.003 367 N HN 0.516 nan 8.380 nan 0.000 0.424 368 L N 1.234 122.478 121.223 0.035 0.000 2.046 368 L HA -0.134 4.207 4.340 0.001 0.000 0.208 368 L C 2.180 179.083 176.870 0.055 0.000 1.077 368 L CA 1.211 56.076 54.840 0.041 0.000 0.747 368 L CB -0.254 41.817 42.059 0.019 0.000 0.896 368 L HN 0.101 nan 8.230 nan 0.000 0.432 369 K N -0.635 119.783 120.400 0.031 0.000 2.283 369 K HA -0.066 4.255 4.320 0.001 0.000 0.202 369 K C 2.220 178.868 176.600 0.080 0.000 1.048 369 K CA 1.088 57.403 56.287 0.046 0.000 0.948 369 K CB 0.000 32.499 32.500 -0.002 0.000 0.742 369 K HN 0.184 nan 8.250 nan 0.000 0.458 370 S N 0.370 116.099 115.700 0.049 0.000 2.387 370 S HA -0.067 4.403 4.470 0.001 0.000 0.226 370 S C 2.071 176.672 174.600 0.002 0.000 1.026 370 S CA 1.189 59.392 58.200 0.006 0.000 0.972 370 S CB -0.201 63.010 63.200 0.020 0.000 0.814 370 S HN 0.550 nan 8.310 nan 0.000 0.477 371 G N 0.060 108.891 108.800 0.051 0.000 2.408 371 G HA2 -0.228 3.732 3.960 0.001 0.000 0.217 371 G HA3 -0.228 3.732 3.960 0.001 0.000 0.217 371 G C 1.250 176.212 174.900 0.102 0.000 1.150 371 G CA 0.642 45.781 45.100 0.064 0.000 0.776 371 G HN 0.515 nan 8.290 nan 0.000 0.542 372 Y N 1.231 121.525 120.300 -0.009 0.000 2.145 372 Y HA -0.066 4.485 4.550 0.001 0.000 0.286 372 Y C 2.591 178.474 175.900 -0.027 0.000 1.145 372 Y CA 1.231 59.326 58.100 -0.008 0.000 1.148 372 Y CB -0.254 38.183 38.460 -0.037 0.000 0.981 372 Y HN 0.175 nan 8.280 nan 0.000 0.507 373 I N 0.224 120.778 120.570 -0.027 0.000 2.163 373 I HA -0.383 3.788 4.170 0.001 0.000 0.243 373 I C 2.385 178.435 176.117 -0.112 0.000 1.085 373 I CA 1.810 63.028 61.300 -0.137 0.000 1.347 373 I CB -0.384 37.511 38.000 -0.176 0.000 1.044 373 I HN 0.198 nan 8.210 nan 0.000 0.408 374 K N 0.434 120.778 120.400 -0.092 0.000 2.057 374 K HA -0.145 4.175 4.320 0.001 0.000 0.206 374 K C 2.293 178.911 176.600 0.030 0.000 1.050 374 K CA 1.810 58.114 56.287 0.028 0.000 0.935 374 K CB -0.296 32.221 32.500 0.027 0.000 0.715 374 K HN 0.424 nan 8.250 nan 0.000 0.439 375 S N 0.909 116.596 115.700 -0.021 0.000 2.399 375 S HA -0.107 4.363 4.470 0.001 0.000 0.231 375 S C 1.730 176.286 174.600 -0.072 0.000 1.022 375 S CA 0.964 59.149 58.200 -0.025 0.000 0.983 375 S CB -0.099 63.102 63.200 0.002 0.000 0.803 375 S HN 0.076 nan 8.310 nan 0.000 0.480 376 L N 1.230 122.356 121.223 -0.162 0.000 2.585 376 L HA 0.450 4.790 4.340 0.001 0.000 0.226 376 L C 1.682 178.504 176.870 -0.081 0.000 1.113 376 L CA 0.664 55.402 54.840 -0.169 0.000 0.876 376 L CB -0.755 41.098 42.059 -0.344 0.000 1.072 376 L HN 0.569 nan 8.230 nan 0.000 0.468 377 G N 0.384 109.178 108.800 -0.011 0.000 2.246 377 G HA2 -0.272 3.689 3.960 0.001 0.000 0.273 377 G HA3 -0.272 3.689 3.960 0.001 0.000 0.273 377 G C 0.429 175.359 174.900 0.050 0.000 1.055 377 G CA 0.247 45.381 45.100 0.056 0.000 0.851 377 G HN 0.268 nan 8.290 nan 0.000 0.500 378 L N -0.932 120.313 121.223 0.037 0.000 2.474 378 L HA 0.402 4.743 4.340 0.001 0.000 0.259 378 L C 2.073 179.001 176.870 0.096 0.000 1.232 378 L CA 0.323 55.168 54.840 0.008 0.000 0.821 378 L CB 0.192 42.215 42.059 -0.060 0.000 1.108 378 L HN 0.205 nan 8.230 nan 0.000 0.495 379 G N -0.723 108.099 108.800 0.037 0.000 2.848 379 G HA2 0.377 4.337 3.960 0.001 0.000 0.208 379 G HA3 0.377 4.337 3.960 0.001 0.000 0.208 379 G C 0.584 175.510 174.900 0.043 0.000 1.152 379 G CA 0.682 45.795 45.100 0.023 0.000 0.789 379 G HN 1.014 nan 8.290 nan 0.000 0.531 380 G N -1.472 107.369 108.800 0.069 0.000 2.260 380 G HA2 0.525 4.485 3.960 0.001 0.000 0.250 380 G HA3 0.525 4.485 3.960 0.001 0.000 0.250 380 G C -1.068 173.745 174.900 -0.145 0.000 1.340 380 G CA -0.200 44.909 45.100 0.014 0.000 1.056 380 G HN 1.157 nan 8.290 nan 0.000 0.471 381 A N -0.464 122.216 122.820 -0.234 0.000 2.374 381 A HA 0.903 5.224 4.320 0.001 0.000 0.317 381 A C -0.291 176.944 177.584 -0.582 0.000 1.094 381 A CA -0.244 51.493 52.037 -0.499 0.000 0.765 381 A CB 1.893 20.477 19.000 -0.692 0.000 1.268 381 A HN 1.774 nan 8.150 nan 0.000 0.438 382 M N 2.431 121.644 119.600 -0.644 0.000 2.501 382 M HA 0.562 5.043 4.480 0.001 0.000 0.293 382 M C -2.339 173.775 176.300 -0.309 0.000 1.192 382 M CA -0.485 54.669 55.300 -0.243 0.000 0.886 382 M CB 1.628 34.293 32.600 0.107 0.000 1.710 382 M HN 0.798 nan 8.290 nan 0.000 0.457 383 W N 3.430 124.914 121.300 0.308 0.000 2.936 383 W HA 0.451 5.112 4.660 0.001 0.000 0.338 383 W C -1.321 175.425 176.519 0.377 0.000 1.121 383 W CA -0.642 56.874 57.345 0.284 0.000 1.209 383 W CB 1.718 31.268 29.460 0.150 0.000 1.420 383 W HN 0.703 nan 8.180 nan 0.000 0.516 384 W N 5.037 126.558 121.300 0.369 0.000 2.554 384 W HA 0.326 4.987 4.660 0.001 0.000 0.324 384 W C -1.429 175.232 176.519 0.237 0.000 1.018 384 W CA -0.644 56.839 57.345 0.229 0.000 1.243 384 W CB 1.650 31.163 29.460 0.088 0.000 1.345 384 W HN 0.551 nan 8.180 nan 0.000 0.441 385 D N 0.948 121.225 120.400 -0.205 0.000 2.493 385 D HA 0.320 4.960 4.640 0.001 0.000 0.239 385 D C 1.013 177.125 176.300 -0.315 0.000 1.049 385 D CA -0.370 53.257 54.000 -0.621 0.000 1.008 385 D CB 1.667 41.606 40.800 -1.434 0.000 1.398 385 D HN 0.081 nan 8.370 nan 0.000 0.513 386 S N 0.123 115.649 115.700 -0.289 0.000 2.420 386 S HA -0.274 4.196 4.470 0.001 0.000 0.237 386 S C 1.762 176.053 174.600 -0.514 0.000 1.023 386 S CA 1.412 59.494 58.200 -0.197 0.000 0.991 386 S CB -1.047 62.214 63.200 0.102 0.000 0.792 386 S HN 0.615 nan 8.310 nan 0.000 0.488 387 S N 0.637 115.846 115.700 -0.819 0.000 2.522 387 S HA 0.130 4.600 4.470 0.001 0.000 0.227 387 S C 1.507 175.878 174.600 -0.383 0.000 0.986 387 S CA 0.570 58.147 58.200 -1.038 0.000 0.929 387 S CB -0.478 62.226 63.200 -0.826 0.000 0.769 387 S HN 0.493 nan 8.310 nan 0.000 0.529 388 S N 1.008 116.605 115.700 -0.172 0.000 2.540 388 S HA 0.224 4.695 4.470 0.001 0.000 0.218 388 S C 0.134 174.806 174.600 0.120 0.000 0.977 388 S CA -0.383 57.850 58.200 0.055 0.000 0.918 388 S CB -0.135 63.173 63.200 0.180 0.000 0.806 388 S HN 0.570 nan 8.310 nan 0.000 0.496 389 D N 2.364 122.797 120.400 0.055 0.000 2.344 389 D HA 0.234 4.874 4.640 0.001 0.000 0.244 389 D C 0.171 176.540 176.300 0.114 0.000 1.134 389 D CA 0.123 54.212 54.000 0.149 0.000 0.930 389 D CB 0.677 41.473 40.800 -0.008 0.000 1.175 389 D HN 0.038 nan 8.370 nan 0.000 0.437 390 K N 0.060 120.560 120.400 0.167 0.000 2.102 390 K HA 0.359 4.679 4.320 0.001 0.000 0.244 390 K C 0.223 176.849 176.600 0.043 0.000 1.021 390 K CA -0.529 55.774 56.287 0.026 0.000 0.913 390 K CB 0.699 33.173 32.500 -0.044 0.000 1.062 390 K HN 0.557 nan 8.250 nan 0.000 0.485 391 T N -2.107 112.458 114.554 0.018 0.000 2.948 391 T HA 0.654 5.005 4.350 0.001 0.000 0.285 391 T C 0.665 175.376 174.700 0.019 0.000 1.019 391 T CA -0.193 61.918 62.100 0.019 0.000 1.013 391 T CB 1.482 70.359 68.868 0.016 0.000 1.117 391 T HN 0.840 nan 8.240 nan 0.000 0.533 392 G N 1.178 109.987 108.800 0.015 0.000 2.553 392 G HA2 -0.281 3.679 3.960 0.001 0.000 0.242 392 G HA3 -0.281 3.679 3.960 0.001 0.000 0.242 392 G C 1.028 175.942 174.900 0.023 0.000 1.277 392 G CA 0.952 46.061 45.100 0.016 0.000 0.910 392 G HN 1.933 nan 8.290 nan 0.000 0.576 393 S N -0.664 115.052 115.700 0.026 0.000 2.453 393 S HA 0.023 4.493 4.470 0.001 0.000 0.231 393 S C 1.371 176.005 174.600 0.055 0.000 1.005 393 S CA 1.903 60.123 58.200 0.033 0.000 0.949 393 S CB 0.088 63.305 63.200 0.028 0.000 0.774 393 S HN 0.542 nan 8.310 nan 0.000 0.510 394 D N 1.909 122.350 120.400 0.070 0.000 2.349 394 D HA 0.125 4.765 4.640 0.001 0.000 0.224 394 D C 0.544 176.967 176.300 0.205 0.000 1.029 394 D CA 0.244 54.322 54.000 0.130 0.000 0.879 394 D CB 0.057 40.921 40.800 0.107 0.000 0.906 394 D HN 0.462 nan 8.370 nan 0.000 0.528 395 S N 0.610 116.383 115.700 0.122 0.000 2.525 395 S HA 0.037 4.507 4.470 0.001 0.000 0.285 395 S C 1.569 176.183 174.600 0.024 0.000 1.283 395 S CA -0.454 57.802 58.200 0.092 0.000 1.072 395 S CB 0.392 63.596 63.200 0.006 0.000 0.867 395 S HN 0.119 nan 8.310 nan 0.000 0.492 396 L N 5.442 126.631 121.223 -0.055 0.000 2.156 396 L HA -0.056 4.284 4.340 0.001 0.000 0.208 396 L C 2.197 178.951 176.870 -0.194 0.000 1.095 396 L CA 0.963 55.728 54.840 -0.125 0.000 0.770 396 L CB -0.472 41.455 42.059 -0.219 0.000 0.914 396 L HN 0.724 nan 8.230 nan 0.000 0.439 397 I N -0.254 120.004 120.570 -0.520 0.000 2.226 397 I HA -0.255 3.915 4.170 0.001 0.000 0.245 397 I C 2.512 178.492 176.117 -0.229 0.000 1.100 397 I CA 1.509 62.325 61.300 -0.807 0.000 1.374 397 I CB -0.450 36.995 38.000 -0.924 0.000 1.057 397 I HN 0.249 nan 8.210 nan 0.000 0.413 398 T N -0.042 114.438 114.554 -0.122 0.000 2.777 398 T HA -0.153 4.198 4.350 0.001 0.000 0.266 398 T C 1.901 176.621 174.700 0.033 0.000 1.040 398 T CA 1.951 64.043 62.100 -0.014 0.000 1.141 398 T CB -0.354 68.509 68.868 -0.008 0.000 0.868 398 T HN 0.348 nan 8.240 nan 0.000 0.444 399 T N 1.919 116.494 114.554 0.034 0.000 2.684 399 T HA -0.098 4.252 4.350 0.001 0.000 0.267 399 T C 2.161 176.920 174.700 0.100 0.000 1.036 399 T CA 1.082 63.220 62.100 0.062 0.000 1.148 399 T CB -0.555 68.350 68.868 0.062 0.000 0.863 399 T HN 0.145 nan 8.240 nan 0.000 0.436 400 V N 0.994 121.007 119.914 0.165 0.000 2.307 400 V HA -0.126 3.994 4.120 0.001 0.000 0.245 400 V C 2.666 178.884 176.094 0.207 0.000 1.045 400 V CA 1.216 63.656 62.300 0.234 0.000 1.024 400 V CB -0.656 31.462 31.823 0.492 0.000 0.651 400 V HN 0.301 nan 8.190 nan 0.000 0.449 401 V N 0.784 120.844 119.914 0.243 0.000 2.332 401 V HA -0.260 3.861 4.120 0.001 0.000 0.248 401 V C 2.349 178.513 176.094 0.116 0.000 1.055 401 V CA 2.178 64.627 62.300 0.249 0.000 1.038 401 V CB -0.850 31.143 31.823 0.283 0.000 0.651 401 V HN 0.571 nan 8.190 nan 0.000 0.450 402 N N 0.586 119.332 118.700 0.078 0.000 2.142 402 N HA -0.086 4.655 4.740 0.001 0.000 0.186 402 N C 1.852 177.385 175.510 0.039 0.000 1.023 402 N CA 1.656 54.729 53.050 0.039 0.000 0.852 402 N CB -0.551 37.956 38.487 0.033 0.000 0.998 402 N HN 0.482 nan 8.380 nan 0.000 0.424 403 A N 0.705 123.555 122.820 0.050 0.000 2.067 403 A HA 0.009 4.329 4.320 0.001 0.000 0.219 403 A C 2.189 179.783 177.584 0.018 0.000 1.158 403 A CA 0.713 52.772 52.037 0.036 0.000 0.661 403 A CB -0.508 18.517 19.000 0.042 0.000 0.801 403 A HN 0.225 nan 8.150 nan 0.000 0.452 404 L N -1.952 119.280 121.223 0.015 0.000 2.395 404 L HA 0.143 4.483 4.340 0.001 0.000 0.218 404 L C 1.707 178.612 176.870 0.057 0.000 1.130 404 L CA 0.788 55.607 54.840 -0.036 0.000 0.826 404 L CB -0.002 42.008 42.059 -0.081 0.000 0.941 404 L HN 0.590 nan 8.230 nan 0.000 0.451 405 G N -1.164 107.666 108.800 0.050 0.000 2.198 405 G HA2 0.074 4.034 3.960 0.001 0.000 0.156 405 G HA3 0.074 4.034 3.960 0.001 0.000 0.156 405 G C 0.517 175.412 174.900 -0.009 0.000 1.012 405 G CA -0.322 44.804 45.100 0.044 0.000 0.692 405 G HN 0.701 nan 8.290 nan 0.000 0.492 406 G N -1.241 107.534 108.800 -0.042 0.000 2.757 406 G HA2 0.260 4.220 3.960 0.001 0.000 0.638 406 G HA3 0.260 4.220 3.960 0.001 0.000 0.638 406 G C 1.050 175.709 174.900 -0.402 0.000 1.344 406 G CA 0.935 45.944 45.100 -0.151 0.000 0.855 406 G HN 1.838 nan 8.290 nan 0.000 0.537 407 T N -2.069 112.132 114.554 -0.587 0.000 2.977 407 T HA 0.117 4.467 4.350 0.001 0.000 0.271 407 T C 2.506 176.842 174.700 -0.606 0.000 1.105 407 T CA 1.962 63.403 62.100 -1.099 0.000 1.116 407 T CB -0.387 68.113 68.868 -0.614 0.000 0.878 407 T HN 1.996 nan 8.240 nan 0.000 0.509 408 G N 1.572 110.199 108.800 -0.289 0.000 2.470 408 G HA2 -0.064 3.897 3.960 0.001 0.000 0.220 408 G HA3 -0.064 3.897 3.960 0.001 0.000 0.220 408 G C 1.506 176.377 174.900 -0.048 0.000 1.121 408 G CA 0.940 45.966 45.100 -0.123 0.000 0.766 408 G HN 0.795 nan 8.290 nan 0.000 0.553 409 V N -3.047 116.853 119.914 -0.024 0.000 3.649 409 V HA 0.421 4.542 4.120 0.001 0.000 0.275 409 V C 0.544 176.808 176.094 0.284 0.000 1.281 409 V CA -1.052 61.325 62.300 0.129 0.000 1.143 409 V CB -0.969 31.009 31.823 0.258 0.000 0.892 409 V HN -0.034 nan 8.190 nan 0.000 0.441 410 F N 2.384 122.396 119.950 0.104 0.000 2.506 410 F HA 0.342 4.869 4.527 0.001 0.000 0.351 410 F C 1.025 176.854 175.800 0.049 0.000 1.136 410 F CA -1.260 56.801 58.000 0.100 0.000 1.298 410 F CB 0.299 39.352 39.000 0.089 0.000 1.145 410 F HN 0.325 nan 8.300 nan 0.000 0.593 411 E N 2.269 122.597 120.200 0.213 0.000 2.413 411 E HA 0.006 4.357 4.350 0.001 0.000 0.263 411 E C -0.956 175.716 176.600 0.120 0.000 1.015 411 E CA -0.393 56.071 56.400 0.108 0.000 0.916 411 E CB 0.535 30.278 29.700 0.072 0.000 0.947 411 E HN 0.403 nan 8.360 nan 0.000 0.440 412 Q N 2.132 121.983 119.800 0.084 0.000 2.331 412 Q HA 0.348 4.689 4.340 0.001 0.000 0.267 412 Q C -1.247 174.783 176.000 0.050 0.000 1.006 412 Q CA -0.612 55.233 55.803 0.070 0.000 0.818 412 Q CB 1.947 30.720 28.738 0.058 0.000 1.276 412 Q HN 0.562 nan 8.270 nan 0.000 0.450 413 S N 1.848 117.570 115.700 0.036 0.000 2.584 413 S HA 0.193 4.663 4.470 0.001 0.000 0.282 413 S C -0.721 173.884 174.600 0.008 0.000 1.138 413 S CA -0.910 57.308 58.200 0.030 0.000 0.987 413 S CB 1.131 64.367 63.200 0.060 0.000 1.137 413 S HN 0.378 nan 8.310 nan 0.000 0.457 414 Q N 3.156 122.957 119.800 0.002 0.000 2.315 414 Q HA 0.127 4.467 4.340 0.001 0.000 0.289 414 Q C 0.702 176.695 176.000 -0.010 0.000 1.044 414 Q CA 0.352 56.150 55.803 -0.009 0.000 0.920 414 Q CB 0.332 29.062 28.738 -0.013 0.000 1.214 414 Q HN 0.905 nan 8.270 nan 0.000 0.392 415 N N 1.064 119.757 118.700 -0.011 0.000 2.294 415 N HA 0.074 4.815 4.740 0.001 0.000 0.275 415 N C -0.519 175.010 175.510 0.032 0.000 1.291 415 N CA -0.347 52.714 53.050 0.019 0.000 0.933 415 N CB 0.418 38.914 38.487 0.014 0.000 1.096 415 N HN 0.430 nan 8.380 nan 0.000 0.525 416 E N -1.331 118.937 120.200 0.113 0.000 2.176 416 E HA 0.347 4.697 4.350 0.001 0.000 0.267 416 E C -0.595 176.127 176.600 0.203 0.000 0.893 416 E CA -0.371 56.092 56.400 0.105 0.000 0.761 416 E CB 0.832 30.617 29.700 0.142 0.000 1.133 416 E HN 0.638 nan 8.360 nan 0.000 0.409 417 L N 2.437 123.733 121.223 0.122 0.000 2.590 417 L HA 0.354 4.694 4.340 0.001 0.000 0.227 417 L C 0.142 177.219 176.870 0.345 0.000 1.099 417 L CA -0.017 54.963 54.840 0.233 0.000 0.872 417 L CB 0.437 42.544 42.059 0.080 0.000 1.088 417 L HN 0.503 nan 8.230 nan 0.000 0.479 418 D N -0.476 119.959 120.400 0.059 0.000 2.280 418 D HA 0.221 4.862 4.640 0.001 0.000 0.236 418 D C -1.187 174.952 176.300 -0.267 0.000 1.082 418 D CA -0.202 53.804 54.000 0.010 0.000 0.834 418 D CB 0.644 41.433 40.800 -0.019 0.000 1.100 418 D HN -0.077 nan 8.370 nan 0.000 0.486 419 Y N 4.827 125.208 120.300 0.135 0.000 2.662 419 Y HA 0.259 4.809 4.550 0.001 0.000 0.358 419 Y C -1.562 174.387 175.900 0.081 0.000 1.041 419 Y CA -1.701 56.482 58.100 0.139 0.000 1.184 419 Y CB 1.526 40.034 38.460 0.081 0.000 1.114 419 Y HN 0.407 nan 8.280 nan 0.000 0.650 420 P HA -0.173 nan 4.420 nan 0.000 0.220 420 P C 0.809 178.155 177.300 0.077 0.000 1.144 420 P CA 1.525 64.670 63.100 0.074 0.000 0.800 420 P CB 0.372 32.091 31.700 0.032 0.000 0.772 421 V N -3.768 116.220 119.914 0.123 0.000 3.121 421 V HA 0.313 4.433 4.120 0.001 0.000 0.344 421 V C 0.728 176.860 176.094 0.063 0.000 1.390 421 V CA -0.615 61.740 62.300 0.092 0.000 1.177 421 V CB -0.601 31.293 31.823 0.119 0.000 1.163 421 V HN -0.003 nan 8.190 nan 0.000 0.484 422 S N 1.678 117.416 115.700 0.063 0.000 2.531 422 S HA 0.146 4.617 4.470 0.001 0.000 0.279 422 S C 1.370 175.902 174.600 -0.114 0.000 1.305 422 S CA 0.357 58.551 58.200 -0.010 0.000 1.058 422 S CB 1.245 64.457 63.200 0.019 0.000 0.899 422 S HN 0.818 nan 8.310 nan 0.000 0.493 423 Q N 3.374 123.011 119.800 -0.271 0.000 2.439 423 Q HA -0.078 4.262 4.340 0.001 0.000 0.211 423 Q C -0.748 174.965 176.000 -0.478 0.000 0.978 423 Q CA 1.116 56.683 55.803 -0.393 0.000 0.897 423 Q CB -0.306 28.112 28.738 -0.532 0.000 0.956 423 Q HN 0.752 nan 8.270 nan 0.000 0.483 424 Y N 1.983 122.229 120.300 -0.090 0.000 2.367 424 Y HA 0.166 4.717 4.550 0.001 0.000 0.342 424 Y C 0.640 176.464 175.900 -0.126 0.000 0.979 424 Y CA -1.224 56.802 58.100 -0.123 0.000 1.161 424 Y CB 1.061 39.405 38.460 -0.194 0.000 1.155 424 Y HN 0.025 nan 8.280 nan 0.000 0.503 425 D N 1.794 122.214 120.400 0.035 0.000 2.084 425 D HA -0.208 4.432 4.640 0.001 0.000 0.194 425 D C 1.609 177.883 176.300 -0.044 0.000 0.990 425 D CA 1.742 55.738 54.000 -0.006 0.000 0.826 425 D CB -0.022 40.784 40.800 0.010 0.000 0.971 425 D HN 0.655 nan 8.370 nan 0.000 0.453 426 N N 1.654 120.308 118.700 -0.077 0.000 2.149 426 N HA -0.173 4.568 4.740 0.001 0.000 0.188 426 N C 2.091 177.468 175.510 -0.221 0.000 1.019 426 N CA 0.740 53.704 53.050 -0.144 0.000 0.857 426 N CB -0.996 37.364 38.487 -0.212 0.000 0.997 426 N HN 0.282 nan 8.380 nan 0.000 0.426 427 L N 0.199 121.257 121.223 -0.275 0.000 2.044 427 L HA 0.071 4.412 4.340 0.001 0.000 0.205 427 L C 2.873 179.564 176.870 -0.298 0.000 1.075 427 L CA 0.826 55.385 54.840 -0.469 0.000 0.747 427 L CB -0.237 41.538 42.059 -0.473 0.000 0.903 427 L HN 0.070 nan 8.230 nan 0.000 0.435 428 R N 0.061 120.488 120.500 -0.122 0.000 2.159 428 R HA -0.169 4.172 4.340 0.001 0.000 0.237 428 R C 1.038 177.328 176.300 -0.018 0.000 1.131 428 R CA 1.866 57.950 56.100 -0.026 0.000 0.982 428 R CB -0.302 29.995 30.300 -0.005 0.000 0.868 428 R HN 0.556 nan 8.270 nan 0.000 0.453 429 N N -0.962 117.708 118.700 -0.050 0.000 2.295 429 N HA 0.098 4.838 4.740 0.001 0.000 0.221 429 N C 0.143 175.647 175.510 -0.010 0.000 1.129 429 N CA 0.298 53.336 53.050 -0.021 0.000 0.836 429 N CB 1.092 39.566 38.487 -0.022 0.000 1.040 429 N HN 0.357 nan 8.380 nan 0.000 0.494 430 G N 1.406 110.196 108.800 -0.017 0.000 2.148 430 G HA2 -0.343 3.617 3.960 0.001 0.000 0.254 430 G HA3 -0.343 3.617 3.960 0.001 0.000 0.254 430 G C 0.413 175.378 174.900 0.110 0.000 0.981 430 G CA 0.242 45.404 45.100 0.104 0.000 0.670 430 G HN 0.350 nan 8.290 nan 0.000 0.528 431 M N -0.774 118.781 119.600 -0.076 0.000 2.632 431 M HA -0.139 4.341 4.480 0.001 0.000 0.184 431 M C 0.744 177.044 176.300 0.001 0.000 0.976 431 M CA 0.504 55.766 55.300 -0.063 0.000 0.612 431 M CB -1.207 31.397 32.600 0.006 0.000 1.181 431 M HN 0.569 nan 8.290 nan 0.000 0.840 432 Q N 0.000 119.793 119.800 -0.011 0.000 2.315 432 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 432 Q CA 0.000 55.801 55.803 -0.003 0.000 1.022 432 Q CB 0.000 28.737 28.738 -0.002 0.000 1.108 432 Q HN 0.000 nan 8.270 nan 0.000 0.481