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 2wo5_1_A DATA FIRST_RESID -1 DATA SEQUENCE HHHATNLRGV MAALLTPFDQ QQALDKASLR RLVQFNIQQG IDGLYVGGST DATA SEQUENCE GEAFVQSLSE REQVLEIVAE EAKGKIKLIA HVGCVSTAES QQLAASAKRY DATA SEQUENCE GFDAVSAVTP FYYPFSFEEH CDHYRAIIDS ADGLPMVVYN IPALSGVKLT DATA SEQUENCE LDQINTLVTL PGVGALKQTS GDLYQMEQIR REHPDLVLYN GYDEIFASGL DATA SEQUENCE LAGADGGIGS TYNIMGWRYQ GIVKALKEGD IQTAQKLQTE CNKVIDLLIK DATA SEQUENCE TGVFRGLKTV LHYMDVVSVP LCRKPFGPVD EKYLPELKAL AQQLMQERG 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 -1 H HA 0.000 nan 4.556 nan 0.000 0.296 -1 H C 0.000 175.232 175.328 -0.160 0.000 0.993 -1 H CA 0.000 56.009 56.048 -0.064 0.000 1.023 -1 H CB 0.000 29.643 29.762 -0.198 0.000 1.292 0 H N 0.990 120.095 119.070 0.058 0.000 2.436 0 H HA 0.028 4.584 4.556 -0.000 0.000 0.294 0 H C 1.481 176.748 175.328 -0.102 0.000 1.048 0 H CA 0.845 56.852 56.048 -0.068 0.000 1.353 0 H CB 0.257 29.922 29.762 -0.163 0.000 1.414 0 H HN 0.480 nan 8.280 nan 0.000 0.536 1 H N 0.685 119.851 119.070 0.159 0.000 2.518 1 H HA 0.022 4.578 4.556 0.000 0.000 0.292 1 H C 1.675 177.036 175.328 0.055 0.000 1.068 1 H CA 0.928 57.032 56.048 0.093 0.000 1.275 1 H CB 0.144 29.953 29.762 0.078 0.000 1.375 1 H HN 0.309 nan 8.280 nan 0.000 0.563 2 A N 0.664 123.559 122.820 0.125 0.000 2.379 2 A HA 0.076 4.396 4.320 -0.000 0.000 0.236 2 A C 2.048 179.643 177.584 0.018 0.000 1.272 2 A CA 0.049 52.120 52.037 0.056 0.000 0.886 2 A CB -0.253 18.743 19.000 -0.006 0.000 0.962 2 A HN 0.194 nan 8.150 nan 0.000 0.504 3 T N 2.088 116.659 114.554 0.028 0.000 2.788 3 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 3 T C 2.023 176.739 174.700 0.025 0.000 1.044 3 T CA 1.781 63.889 62.100 0.015 0.000 1.139 3 T CB -0.379 68.509 68.868 0.034 0.000 0.867 3 T HN 0.868 nan 8.240 nan 0.000 0.454 4 N N 2.423 121.153 118.700 0.050 0.000 2.120 4 N HA -0.079 4.661 4.740 -0.000 0.000 0.188 4 N C 1.654 177.211 175.510 0.078 0.000 1.024 4 N CA 1.067 54.153 53.050 0.061 0.000 0.852 4 N CB -1.206 37.322 38.487 0.068 0.000 1.003 4 N HN 0.358 nan 8.380 nan 0.000 0.424 5 L N -0.165 121.115 121.223 0.094 0.000 2.661 5 L HA -0.063 4.277 4.340 -0.000 0.000 0.236 5 L C 1.404 178.375 176.870 0.168 0.000 1.176 5 L CA 0.177 55.115 54.840 0.164 0.000 0.836 5 L CB -0.508 41.673 42.059 0.202 0.000 0.960 5 L HN 0.227 nan 8.230 nan 0.000 0.455 6 R N 0.762 121.294 120.500 0.053 0.000 2.570 6 R HA 0.352 4.692 4.340 -0.000 0.000 0.277 6 R C 0.111 176.485 176.300 0.123 0.000 1.039 6 R CA 0.850 56.958 56.100 0.014 0.000 1.065 6 R CB 0.393 30.687 30.300 -0.010 0.000 0.964 6 R HN 0.175 nan 8.270 nan 0.000 0.428 7 G N 1.205 110.111 108.800 0.176 0.000 2.361 7 G HA2 0.033 3.993 3.960 -0.000 0.000 0.305 7 G HA3 0.033 3.993 3.960 -0.000 0.000 0.305 7 G C -1.705 173.367 174.900 0.286 0.000 1.367 7 G CA -0.867 44.358 45.100 0.208 0.000 0.951 7 G HN 0.486 nan 8.290 nan 0.000 0.615 8 V N 2.233 122.289 119.914 0.237 0.000 2.389 8 V HA 0.547 4.667 4.120 -0.000 0.000 0.264 8 V C 0.383 176.617 176.094 0.233 0.000 1.049 8 V CA -0.042 62.408 62.300 0.251 0.000 0.932 8 V CB 0.848 32.714 31.823 0.072 0.000 1.011 8 V HN 0.599 nan 8.190 nan 0.000 0.475 9 M N 4.564 124.340 119.600 0.293 0.000 2.321 9 M HA 0.629 5.109 4.480 -0.000 0.000 0.315 9 M C -0.089 176.333 176.300 0.202 0.000 1.052 9 M CA -0.463 54.950 55.300 0.189 0.000 0.936 9 M CB 1.861 34.494 32.600 0.056 0.000 1.639 9 M HN 0.550 nan 8.290 nan 0.000 0.433 10 A N 2.442 125.378 122.820 0.192 0.000 2.354 10 A HA 0.731 5.051 4.320 -0.000 0.000 0.269 10 A C 0.251 177.811 177.584 -0.039 0.000 1.109 10 A CA -0.510 51.580 52.037 0.089 0.000 0.800 10 A CB 0.375 19.470 19.000 0.158 0.000 1.045 10 A HN 0.945 nan 8.150 nan 0.000 0.489 11 A N 2.554 125.271 122.820 -0.171 0.000 2.621 11 A HA 0.501 4.821 4.320 -0.000 0.000 0.329 11 A C -0.070 177.463 177.584 -0.086 0.000 1.458 11 A CA -0.423 51.551 52.037 -0.105 0.000 1.052 11 A CB -0.563 18.314 19.000 -0.206 0.000 1.142 11 A HN 1.090 nan 8.150 nan 0.000 0.523 12 L N 3.276 124.475 121.223 -0.040 0.000 2.499 12 L HA 0.184 4.524 4.340 -0.000 0.000 0.273 12 L C 0.109 176.902 176.870 -0.129 0.000 1.195 12 L CA 0.523 55.327 54.840 -0.060 0.000 0.882 12 L CB 0.077 42.118 42.059 -0.031 0.000 1.133 12 L HN 0.605 nan 8.230 nan 0.000 0.483 13 L N 4.053 125.184 121.223 -0.153 0.000 2.466 13 L HA 0.328 4.668 4.340 -0.000 0.000 0.257 13 L C 0.358 177.079 176.870 -0.249 0.000 1.189 13 L CA -0.427 54.278 54.840 -0.226 0.000 0.813 13 L CB 0.486 42.420 42.059 -0.207 0.000 1.118 13 L HN 0.572 nan 8.230 nan 0.000 0.471 14 T N 1.743 116.086 114.554 -0.352 0.000 2.809 14 T HA 0.360 4.710 4.350 -0.000 0.000 0.296 14 T C -2.473 171.672 174.700 -0.925 0.000 1.015 14 T CA -1.203 60.586 62.100 -0.518 0.000 0.954 14 T CB 1.592 70.193 68.868 -0.445 0.000 0.950 14 T HN 0.240 nan 8.240 nan 0.000 0.450 15 P HA 0.497 nan 4.420 nan 0.000 0.279 15 P C -1.016 175.847 177.300 -0.728 0.000 1.239 15 P CA -0.392 62.334 63.100 -0.624 0.000 0.789 15 P CB 0.466 31.985 31.700 -0.301 0.000 0.933 16 F N 0.829 120.749 119.950 -0.050 0.000 2.576 16 F HA 0.356 4.883 4.527 -0.000 0.000 0.313 16 F C 0.529 176.302 175.800 -0.045 0.000 1.078 16 F CA -0.915 57.062 58.000 -0.038 0.000 0.921 16 F CB 1.024 40.010 39.000 -0.024 0.000 1.232 16 F HN 0.247 nan 8.300 nan 0.000 0.459 17 D N 0.019 120.525 120.400 0.175 0.000 2.432 17 D HA 0.142 4.782 4.640 -0.000 0.000 0.258 17 D C 0.864 177.195 176.300 0.052 0.000 1.146 17 D CA -0.426 53.617 54.000 0.071 0.000 1.015 17 D CB 0.569 41.399 40.800 0.050 0.000 1.107 17 D HN 0.326 nan 8.370 nan 0.000 0.529 18 Q N -0.867 118.944 119.800 0.019 0.000 2.344 18 Q HA -0.216 4.124 4.340 -0.000 0.000 0.212 18 Q C 1.220 177.226 176.000 0.011 0.000 0.991 18 Q CA 1.668 57.476 55.803 0.009 0.000 0.897 18 Q CB -0.118 28.621 28.738 0.003 0.000 0.915 18 Q HN 0.543 nan 8.270 nan 0.000 0.438 19 Q N -0.831 118.978 119.800 0.015 0.000 2.319 19 Q HA 0.076 4.416 4.340 -0.000 0.000 0.202 19 Q C 0.034 176.029 176.000 -0.010 0.000 0.896 19 Q CA 0.039 55.845 55.803 0.004 0.000 0.942 19 Q CB 0.716 29.457 28.738 0.005 0.000 1.083 19 Q HN 0.185 nan 8.270 nan 0.000 0.510 20 Q N -2.941 116.858 119.800 -0.002 0.000 2.400 20 Q HA -0.175 4.165 4.340 -0.000 0.000 0.206 20 Q C -0.265 175.699 176.000 -0.060 0.000 0.638 20 Q CA 0.841 56.605 55.803 -0.066 0.000 1.330 20 Q CB -2.148 26.510 28.738 -0.133 0.000 1.274 20 Q HN 0.390 nan 8.270 nan 0.000 0.870 21 A N 0.884 123.735 122.820 0.052 0.000 2.287 21 A HA 0.579 4.899 4.320 -0.000 0.000 0.273 21 A C 0.657 178.394 177.584 0.255 0.000 1.091 21 A CA -0.458 51.636 52.037 0.094 0.000 0.817 21 A CB 0.316 19.351 19.000 0.058 0.000 1.069 21 A HN 0.245 nan 8.150 nan 0.000 0.492 22 L N 1.667 123.033 121.223 0.238 0.000 2.597 22 L HA 0.036 4.376 4.340 -0.000 0.000 0.271 22 L C 0.050 176.975 176.870 0.092 0.000 1.157 22 L CA -0.159 54.816 54.840 0.225 0.000 0.928 22 L CB -0.276 41.859 42.059 0.126 0.000 1.216 22 L HN 0.627 nan 8.230 nan 0.000 0.481 23 D N 4.499 124.921 120.400 0.037 0.000 2.398 23 D HA 0.002 4.642 4.640 -0.000 0.000 0.250 23 D C 1.073 177.345 176.300 -0.046 0.000 1.287 23 D CA 0.094 54.086 54.000 -0.014 0.000 0.992 23 D CB 0.699 41.474 40.800 -0.042 0.000 1.071 23 D HN 0.434 nan 8.370 nan 0.000 0.514 24 K N 1.940 122.327 120.400 -0.021 0.000 2.209 24 K HA -0.131 4.189 4.320 -0.000 0.000 0.204 24 K C 1.626 178.208 176.600 -0.031 0.000 1.048 24 K CA 1.033 57.304 56.287 -0.027 0.000 0.940 24 K CB 0.189 32.682 32.500 -0.013 0.000 0.729 24 K HN 0.354 nan 8.250 nan 0.000 0.451 25 A N 1.031 123.836 122.820 -0.024 0.000 1.878 25 A HA -0.050 4.270 4.320 -0.000 0.000 0.213 25 A C 2.258 179.828 177.584 -0.024 0.000 1.192 25 A CA 1.214 53.241 52.037 -0.017 0.000 0.619 25 A CB -0.367 18.628 19.000 -0.008 0.000 0.837 25 A HN 0.121 nan 8.150 nan 0.000 0.446 26 S N -0.093 115.584 115.700 -0.038 0.000 2.382 26 S HA -0.156 4.314 4.470 -0.000 0.000 0.228 26 S C 1.877 176.436 174.600 -0.068 0.000 1.027 26 S CA 1.453 59.622 58.200 -0.051 0.000 0.991 26 S CB -0.494 62.662 63.200 -0.074 0.000 0.823 26 S HN 0.499 nan 8.310 nan 0.000 0.469 27 L N 2.418 123.588 121.223 -0.088 0.000 1.990 27 L HA -0.140 4.200 4.340 -0.000 0.000 0.213 27 L C 2.201 179.042 176.870 -0.047 0.000 1.072 27 L CA 1.822 56.608 54.840 -0.090 0.000 0.755 27 L CB -0.675 41.324 42.059 -0.100 0.000 0.889 27 L HN 0.133 nan 8.230 nan 0.000 0.432 28 R N -0.762 119.719 120.500 -0.032 0.000 2.103 28 R HA -0.205 4.135 4.340 -0.000 0.000 0.242 28 R C 2.354 178.659 176.300 0.009 0.000 1.142 28 R CA 2.038 58.130 56.100 -0.013 0.000 0.960 28 R CB -0.450 29.843 30.300 -0.011 0.000 0.858 28 R HN 0.446 nan 8.270 nan 0.000 0.439 29 R N 0.399 120.909 120.500 0.016 0.000 2.070 29 R HA -0.151 4.189 4.340 -0.000 0.000 0.232 29 R C 2.351 178.704 176.300 0.088 0.000 1.138 29 R CA 1.442 57.573 56.100 0.053 0.000 0.936 29 R CB -0.733 29.596 30.300 0.048 0.000 0.839 29 R HN 0.107 nan 8.270 nan 0.000 0.429 30 L N 1.196 122.447 121.223 0.046 0.000 2.137 30 L HA -0.187 4.153 4.340 -0.000 0.000 0.213 30 L C 1.941 178.873 176.870 0.103 0.000 1.085 30 L CA 1.646 56.520 54.840 0.057 0.000 0.760 30 L CB -0.301 41.738 42.059 -0.033 0.000 0.893 30 L HN -0.008 nan 8.230 nan 0.000 0.434 31 V N -0.816 119.133 119.914 0.059 0.000 2.515 31 V HA -0.220 3.900 4.120 -0.000 0.000 0.250 31 V C 2.573 178.711 176.094 0.074 0.000 1.058 31 V CA 1.481 63.812 62.300 0.052 0.000 1.064 31 V CB -0.737 31.096 31.823 0.017 0.000 0.675 31 V HN 0.485 nan 8.190 nan 0.000 0.461 32 Q N -0.779 119.074 119.800 0.088 0.000 2.033 32 Q HA -0.028 4.312 4.340 -0.000 0.000 0.196 32 Q C 2.084 178.152 176.000 0.114 0.000 0.970 32 Q CA 1.367 57.217 55.803 0.078 0.000 0.828 32 Q CB -0.771 28.003 28.738 0.061 0.000 0.895 32 Q HN 0.576 nan 8.270 nan 0.000 0.440 33 F N 2.602 122.571 119.950 0.031 0.000 2.085 33 F HA -0.333 4.194 4.527 -0.001 0.000 0.299 33 F C 1.925 177.772 175.800 0.079 0.000 1.096 33 F CA 1.607 59.640 58.000 0.055 0.000 1.227 33 F CB -0.113 38.923 39.000 0.061 0.000 0.983 33 F HN 0.187 nan 8.300 nan 0.000 0.482 34 N N 0.567 119.450 118.700 0.305 0.000 2.084 34 N HA -0.201 4.539 4.740 -0.000 0.000 0.190 34 N C 1.912 177.491 175.510 0.116 0.000 1.030 34 N CA 2.117 55.295 53.050 0.214 0.000 0.849 34 N CB -0.383 38.204 38.487 0.167 0.000 1.012 34 N HN 0.504 nan 8.380 nan 0.000 0.423 35 I N -0.134 120.479 120.570 0.072 0.000 2.439 35 I HA -0.125 4.045 4.170 -0.000 0.000 0.251 35 I C 1.879 178.001 176.117 0.009 0.000 1.139 35 I CA 1.279 62.602 61.300 0.038 0.000 1.438 35 I CB -0.497 37.516 38.000 0.022 0.000 1.085 35 I HN -0.105 nan 8.210 nan 0.000 0.427 36 Q N 0.704 120.488 119.800 -0.027 0.000 2.369 36 Q HA -0.076 4.264 4.340 -0.000 0.000 0.206 36 Q C 2.118 178.068 176.000 -0.082 0.000 0.963 36 Q CA 0.944 56.702 55.803 -0.075 0.000 0.894 36 Q CB -0.244 28.416 28.738 -0.131 0.000 0.965 36 Q HN 0.658 nan 8.270 nan 0.000 0.475 37 Q N -0.660 119.121 119.800 -0.031 0.000 2.364 37 Q HA -0.042 4.298 4.340 -0.000 0.000 0.207 37 Q C 0.849 176.898 176.000 0.082 0.000 0.970 37 Q CA 0.732 56.577 55.803 0.070 0.000 0.888 37 Q CB 0.178 29.060 28.738 0.240 0.000 0.951 37 Q HN 0.540 nan 8.270 nan 0.000 0.469 38 G N 1.194 110.023 108.800 0.048 0.000 2.132 38 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.234 38 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.234 38 G C -0.037 174.900 174.900 0.061 0.000 0.989 38 G CA -0.084 45.042 45.100 0.044 0.000 0.676 38 G HN 0.303 nan 8.290 nan 0.000 0.522 39 I N 1.084 121.700 120.570 0.077 0.000 2.752 39 I HA 0.291 4.461 4.170 -0.000 0.000 0.287 39 I C 1.235 177.398 176.117 0.077 0.000 1.188 39 I CA -0.300 61.050 61.300 0.083 0.000 1.427 39 I CB 0.667 38.735 38.000 0.114 0.000 1.365 39 I HN 0.143 nan 8.210 nan 0.000 0.585 40 D N 5.115 125.567 120.400 0.086 0.000 2.219 40 D HA 0.122 4.762 4.640 -0.000 0.000 0.205 40 D C 0.664 177.016 176.300 0.086 0.000 0.970 40 D CA 1.299 55.352 54.000 0.087 0.000 0.851 40 D CB -0.125 40.740 40.800 0.109 0.000 0.943 40 D HN 0.687 nan 8.370 nan 0.000 0.488 41 G N -1.130 107.727 108.800 0.096 0.000 2.368 41 G HA2 0.470 4.430 3.960 -0.000 0.000 0.293 41 G HA3 0.470 4.430 3.960 -0.000 0.000 0.293 41 G C -1.965 172.990 174.900 0.092 0.000 1.467 41 G CA -0.833 44.318 45.100 0.084 0.000 0.804 41 G HN 0.009 nan 8.290 nan 0.000 0.535 42 L N 0.458 121.728 121.223 0.078 0.000 2.362 42 L HA 0.461 4.801 4.340 -0.000 0.000 0.275 42 L C -1.365 175.583 176.870 0.131 0.000 0.998 42 L CA -0.937 53.958 54.840 0.091 0.000 0.820 42 L CB 2.389 44.485 42.059 0.063 0.000 1.270 42 L HN 0.701 nan 8.230 nan 0.000 0.415 43 Y N 3.575 123.857 120.300 -0.031 0.000 2.417 43 Y HA 0.481 5.031 4.550 0.001 0.000 0.336 43 Y C -0.605 175.279 175.900 -0.027 0.000 0.961 43 Y CA -0.532 57.535 58.100 -0.055 0.000 1.215 43 Y CB 1.121 39.468 38.460 -0.189 0.000 1.120 43 Y HN 0.229 nan 8.280 nan 0.000 0.499 44 V N 5.588 125.425 119.914 -0.129 0.000 2.472 44 V HA 0.520 4.640 4.120 -0.000 0.000 0.290 44 V C 0.802 176.803 176.094 -0.155 0.000 1.037 44 V CA -0.146 62.119 62.300 -0.059 0.000 0.908 44 V CB 1.113 33.004 31.823 0.113 0.000 0.985 44 V HN 1.025 nan 8.190 nan 0.000 0.454 45 G N 3.373 112.111 108.800 -0.103 0.000 2.160 45 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.251 45 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.251 45 G C 0.566 175.449 174.900 -0.028 0.000 1.008 45 G CA 0.199 45.248 45.100 -0.085 0.000 0.724 45 G HN 1.337 nan 8.290 nan 0.000 0.514 46 G N -0.305 108.422 108.800 -0.123 0.000 2.570 46 G HA2 0.544 4.504 3.960 -0.000 0.000 0.276 46 G HA3 0.544 4.504 3.960 -0.000 0.000 0.276 46 G C 1.455 176.242 174.900 -0.188 0.000 1.346 46 G CA 0.902 45.868 45.100 -0.224 0.000 1.034 46 G HN 1.148 nan 8.290 nan 0.000 0.512 47 S N -1.021 114.673 115.700 -0.011 0.000 2.370 47 S HA -0.187 4.283 4.470 -0.000 0.000 0.226 47 S C 2.233 176.792 174.600 -0.069 0.000 1.033 47 S CA 2.087 60.365 58.200 0.130 0.000 1.011 47 S CB -0.942 62.498 63.200 0.400 0.000 0.852 47 S HN 0.579 nan 8.310 nan 0.000 0.457 48 T N 2.185 116.654 114.554 -0.142 0.000 2.699 48 T HA -0.041 4.309 4.350 -0.000 0.000 0.268 48 T C 1.924 176.219 174.700 -0.676 0.000 1.036 48 T CA 1.454 63.214 62.100 -0.565 0.000 1.147 48 T CB -1.100 67.636 68.868 -0.220 0.000 0.862 48 T HN 0.646 nan 8.240 nan 0.000 0.446 49 G N 0.237 108.836 108.800 -0.335 0.000 2.708 49 G HA2 0.037 3.997 3.960 -0.000 0.000 0.210 49 G HA3 0.037 3.997 3.960 -0.000 0.000 0.210 49 G C 0.398 175.173 174.900 -0.208 0.000 1.141 49 G CA 0.526 45.474 45.100 -0.253 0.000 0.788 49 G HN 0.640 nan 8.290 nan 0.000 0.531 50 E N -2.399 117.659 120.200 -0.236 0.000 3.628 50 E HA -0.314 4.036 4.350 -0.000 0.000 0.309 50 E C 1.842 178.410 176.600 -0.053 0.000 0.839 50 E CA 0.427 56.803 56.400 -0.040 0.000 1.123 50 E CB -1.565 28.215 29.700 0.133 0.000 1.568 50 E HN 0.495 nan 8.360 nan 0.000 0.440 51 A N 0.129 122.791 122.820 -0.263 0.000 1.944 51 A HA -0.261 4.059 4.320 -0.000 0.000 0.222 51 A C 1.526 178.942 177.584 -0.280 0.000 1.237 51 A CA 2.315 54.121 52.037 -0.384 0.000 0.668 51 A CB -0.743 17.819 19.000 -0.730 0.000 0.830 51 A HN 0.339 nan 8.150 nan 0.000 0.471 52 F N -0.926 119.114 119.950 0.150 0.000 2.811 52 F HA 0.192 4.719 4.527 -0.001 0.000 0.301 52 F C 1.487 177.341 175.800 0.089 0.000 1.151 52 F CA 0.622 58.708 58.000 0.143 0.000 1.412 52 F CB -0.036 39.063 39.000 0.165 0.000 1.113 52 F HN 0.163 nan 8.300 nan 0.000 0.579 53 V N -3.222 116.796 119.914 0.174 0.000 3.070 53 V HA 0.374 4.494 4.120 -0.000 0.000 0.345 53 V C 0.042 176.150 176.094 0.022 0.000 1.403 53 V CA -0.231 62.119 62.300 0.083 0.000 1.155 53 V CB -0.636 31.221 31.823 0.057 0.000 1.140 53 V HN 0.156 nan 8.190 nan 0.000 0.505 54 Q N 0.832 120.660 119.800 0.047 0.000 2.552 54 Q HA 0.679 5.019 4.340 -0.000 0.000 0.289 54 Q C -0.251 175.769 176.000 0.034 0.000 1.097 54 Q CA -0.271 55.551 55.803 0.032 0.000 0.812 54 Q CB 2.542 31.311 28.738 0.052 0.000 1.460 54 Q HN 0.628 nan 8.270 nan 0.000 0.452 55 S N -0.482 115.233 115.700 0.025 0.000 2.713 55 S HA 0.283 4.753 4.470 -0.000 0.000 0.283 55 S C 0.803 175.412 174.600 0.016 0.000 1.161 55 S CA -0.550 57.663 58.200 0.021 0.000 0.999 55 S CB 0.614 63.823 63.200 0.014 0.000 1.039 55 S HN 0.511 nan 8.310 nan 0.000 0.548 56 L N 1.689 122.919 121.223 0.011 0.000 2.042 56 L HA -0.046 4.294 4.340 -0.000 0.000 0.210 56 L C 2.955 179.828 176.870 0.005 0.000 1.076 56 L CA 2.150 56.991 54.840 0.000 0.000 0.749 56 L CB -1.554 40.502 42.059 -0.006 0.000 0.893 56 L HN 0.979 nan 8.230 nan 0.000 0.432 57 S N -0.748 114.958 115.700 0.011 0.000 2.344 57 S HA -0.217 4.253 4.470 -0.000 0.000 0.217 57 S C 1.938 176.549 174.600 0.019 0.000 1.033 57 S CA 1.522 59.733 58.200 0.018 0.000 1.017 57 S CB -0.212 62.998 63.200 0.016 0.000 0.941 57 S HN 0.500 nan 8.310 nan 0.000 0.430 58 E N 0.482 120.694 120.200 0.020 0.000 2.086 58 E HA -0.219 4.131 4.350 -0.000 0.000 0.200 58 E C 2.486 179.099 176.600 0.022 0.000 1.012 58 E CA 1.526 57.944 56.400 0.030 0.000 0.812 58 E CB -0.199 29.528 29.700 0.046 0.000 0.743 58 E HN 0.458 nan 8.360 nan 0.000 0.453 59 R N 0.623 121.130 120.500 0.011 0.000 2.096 59 R HA -0.192 4.148 4.340 -0.000 0.000 0.240 59 R C 2.295 178.585 176.300 -0.017 0.000 1.139 59 R CA 1.629 57.720 56.100 -0.014 0.000 0.952 59 R CB -0.213 30.067 30.300 -0.034 0.000 0.854 59 R HN 0.255 nan 8.270 nan 0.000 0.436 60 E N 0.371 120.575 120.200 0.007 0.000 2.110 60 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 60 E C 2.144 178.734 176.600 -0.018 0.000 0.988 60 E CA 1.112 57.542 56.400 0.049 0.000 0.804 60 E CB 0.057 29.823 29.700 0.111 0.000 0.745 60 E HN 0.439 nan 8.360 nan 0.000 0.458 61 Q N 0.223 120.009 119.800 -0.022 0.000 2.030 61 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 61 Q C 2.432 178.388 176.000 -0.073 0.000 0.986 61 Q CA 1.575 57.346 55.803 -0.052 0.000 0.843 61 Q CB -0.248 28.479 28.738 -0.019 0.000 0.904 61 Q HN 0.163 nan 8.270 nan 0.000 0.420 62 V N 1.686 121.573 119.914 -0.045 0.000 2.231 62 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 62 V C 2.370 178.446 176.094 -0.031 0.000 1.054 62 V CA 1.829 64.104 62.300 -0.041 0.000 1.015 62 V CB -0.763 31.039 31.823 -0.036 0.000 0.638 62 V HN 0.355 nan 8.190 nan 0.000 0.444 63 L N -0.333 120.871 121.223 -0.031 0.000 2.051 63 L HA -0.306 4.034 4.340 -0.000 0.000 0.214 63 L C 2.651 179.519 176.870 -0.003 0.000 1.076 63 L CA 2.339 57.199 54.840 0.033 0.000 0.758 63 L CB -0.531 41.483 42.059 -0.075 0.000 0.890 63 L HN 0.515 nan 8.230 nan 0.000 0.433 64 E N 0.588 120.590 120.200 -0.330 0.000 2.016 64 E HA -0.207 4.143 4.350 -0.000 0.000 0.190 64 E C 2.244 178.713 176.600 -0.218 0.000 0.985 64 E CA 1.028 57.108 56.400 -0.534 0.000 0.802 64 E CB -0.082 29.253 29.700 -0.609 0.000 0.762 64 E HN 0.437 nan 8.360 nan 0.000 0.448 65 I N 0.922 121.408 120.570 -0.140 0.000 2.761 65 I HA -0.220 3.950 4.170 -0.000 0.000 0.266 65 I C 1.689 177.771 176.117 -0.058 0.000 1.239 65 I CA 0.438 61.689 61.300 -0.082 0.000 1.451 65 I CB 0.162 38.126 38.000 -0.061 0.000 1.096 65 I HN 0.080 nan 8.210 nan 0.000 0.465 66 V N -0.312 119.579 119.914 -0.038 0.000 3.565 66 V HA 0.141 4.261 4.120 -0.000 0.000 0.260 66 V C 2.290 178.332 176.094 -0.086 0.000 1.231 66 V CA 1.011 63.295 62.300 -0.027 0.000 1.100 66 V CB 0.193 32.038 31.823 0.037 0.000 0.807 66 V HN 0.399 nan 8.190 nan 0.000 0.454 67 A N 0.364 123.132 122.820 -0.086 0.000 1.872 67 A HA -0.157 4.163 4.320 -0.000 0.000 0.214 67 A C 2.089 179.618 177.584 -0.092 0.000 1.187 67 A CA 1.558 53.515 52.037 -0.134 0.000 0.614 67 A CB -0.329 18.649 19.000 -0.037 0.000 0.826 67 A HN 0.538 nan 8.150 nan 0.000 0.442 68 E N -0.094 120.064 120.200 -0.071 0.000 2.097 68 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 68 E C 2.029 178.600 176.600 -0.048 0.000 1.000 68 E CA 1.505 57.875 56.400 -0.050 0.000 0.804 68 E CB -0.102 29.570 29.700 -0.047 0.000 0.740 68 E HN 0.656 nan 8.360 nan 0.000 0.454 69 E N 0.118 120.286 120.200 -0.053 0.000 2.014 69 E HA -0.057 4.293 4.350 -0.000 0.000 0.190 69 E C 1.719 178.288 176.600 -0.051 0.000 0.980 69 E CA 1.049 57.424 56.400 -0.042 0.000 0.807 69 E CB -0.078 29.603 29.700 -0.033 0.000 0.770 69 E HN 0.174 nan 8.360 nan 0.000 0.451 70 A N 1.140 123.916 122.820 -0.074 0.000 2.387 70 A HA 0.066 4.386 4.320 -0.000 0.000 0.234 70 A C 0.944 178.464 177.584 -0.106 0.000 1.253 70 A CA -0.229 51.762 52.037 -0.076 0.000 0.894 70 A CB -0.024 18.933 19.000 -0.071 0.000 0.963 70 A HN -0.048 nan 8.150 nan 0.000 0.508 71 K N -0.512 119.815 120.400 -0.121 0.000 2.258 71 K HA 0.351 4.671 4.320 -0.000 0.000 0.264 71 K C 1.375 177.932 176.600 -0.071 0.000 1.007 71 K CA 0.859 57.070 56.287 -0.126 0.000 0.941 71 K CB 0.252 32.680 32.500 -0.119 0.000 0.966 71 K HN 0.553 nan 8.250 nan 0.000 0.480 72 G N 2.710 111.475 108.800 -0.058 0.000 2.507 72 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.240 72 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.240 72 G C 0.963 175.850 174.900 -0.022 0.000 1.119 72 G CA 0.847 45.928 45.100 -0.031 0.000 0.664 72 G HN 0.705 nan 8.290 nan 0.000 0.516 73 K N 0.374 120.758 120.400 -0.027 0.000 2.020 73 K HA 0.359 4.679 4.320 -0.000 0.000 0.206 73 K C 1.818 178.413 176.600 -0.008 0.000 1.038 73 K CA 1.352 57.629 56.287 -0.016 0.000 0.947 73 K CB -0.007 32.483 32.500 -0.018 0.000 0.744 73 K HN 0.744 nan 8.250 nan 0.000 0.442 74 I N -1.605 118.956 120.570 -0.014 0.000 3.436 74 I HA 0.359 4.529 4.170 -0.000 0.000 0.296 74 I C -0.718 175.393 176.117 -0.009 0.000 1.143 74 I CA -1.224 60.077 61.300 0.001 0.000 1.009 74 I CB 1.207 39.214 38.000 0.011 0.000 1.301 74 I HN -0.227 nan 8.210 nan 0.000 0.503 75 K N 2.180 122.589 120.400 0.016 0.000 2.174 75 K HA 0.570 4.890 4.320 -0.000 0.000 0.275 75 K C -1.081 175.517 176.600 -0.003 0.000 1.015 75 K CA -0.388 55.911 56.287 0.020 0.000 0.933 75 K CB 1.681 34.224 32.500 0.071 0.000 1.025 75 K HN 0.528 nan 8.250 nan 0.000 0.463 76 L N 4.612 125.812 121.223 -0.038 0.000 2.372 76 L HA 0.484 4.824 4.340 -0.000 0.000 0.273 76 L C -0.389 176.584 176.870 0.173 0.000 0.989 76 L CA -0.653 54.143 54.840 -0.073 0.000 0.841 76 L CB 1.055 42.761 42.059 -0.588 0.000 1.225 76 L HN 0.407 nan 8.230 nan 0.000 0.414 77 I N 2.710 123.422 120.570 0.236 0.000 2.404 77 I HA 0.585 4.755 4.170 -0.000 0.000 0.293 77 I C 0.232 176.443 176.117 0.158 0.000 0.992 77 I CA -0.263 61.167 61.300 0.217 0.000 1.149 77 I CB 2.062 40.150 38.000 0.147 0.000 1.315 77 I HN 0.611 nan 8.210 nan 0.000 0.446 78 A N 4.408 127.239 122.820 0.018 0.000 2.271 78 A HA 0.429 4.749 4.320 -0.000 0.000 0.317 78 A C -0.792 176.600 177.584 -0.319 0.000 1.245 78 A CA -0.407 51.433 52.037 -0.328 0.000 0.857 78 A CB 0.017 18.556 19.000 -0.768 0.000 1.175 78 A HN 0.791 nan 8.150 nan 0.000 0.512 79 H N 2.559 121.329 119.070 -0.500 0.000 2.846 79 H HA 0.377 4.933 4.556 0.000 0.000 0.278 79 H C 0.548 175.752 175.328 -0.206 0.000 1.117 79 H CA 0.172 55.985 56.048 -0.392 0.000 1.406 79 H CB 0.971 30.427 29.762 -0.510 0.000 1.445 79 H HN 0.447 nan 8.280 nan 0.000 0.469 80 V N 2.324 121.895 119.914 -0.572 0.000 3.621 80 V HA 0.447 4.566 4.120 -0.000 0.000 0.285 80 V C 1.151 177.000 176.094 -0.408 0.000 1.346 80 V CA 0.095 62.151 62.300 -0.408 0.000 1.104 80 V CB -0.211 31.452 31.823 -0.268 0.000 0.913 80 V HN 0.772 nan 8.190 nan 0.000 0.432 81 G N -0.066 108.300 108.800 -0.724 0.000 2.378 81 G HA2 0.429 4.389 3.960 -0.000 0.000 0.255 81 G HA3 0.429 4.389 3.960 -0.000 0.000 0.255 81 G C -0.340 174.650 174.900 0.149 0.000 1.270 81 G CA 0.302 45.286 45.100 -0.194 0.000 0.876 81 G HN 0.527 nan 8.290 nan 0.000 0.521 82 C N 1.046 120.453 119.300 0.178 0.000 3.213 82 C HA 0.408 4.868 4.460 -0.000 0.000 0.319 82 C C 1.719 176.736 174.990 0.044 0.000 1.386 82 C CA -0.580 58.555 59.018 0.195 0.000 1.494 82 C CB 1.468 29.268 27.740 0.100 0.000 1.905 82 C HN 0.552 nan 8.230 nan 0.000 0.456 83 V N 1.098 120.934 119.914 -0.129 0.000 2.270 83 V HA -0.092 4.028 4.120 -0.000 0.000 0.245 83 V C 1.409 177.445 176.094 -0.097 0.000 1.043 83 V CA 2.085 64.235 62.300 -0.250 0.000 1.014 83 V CB -0.590 31.076 31.823 -0.262 0.000 0.645 83 V HN 0.905 nan 8.190 nan 0.000 0.447 84 S N -0.002 115.685 115.700 -0.022 0.000 2.533 84 S HA -0.004 4.466 4.470 -0.000 0.000 0.282 84 S C 1.355 175.977 174.600 0.036 0.000 1.304 84 S CA 0.298 58.492 58.200 -0.009 0.000 1.063 84 S CB 1.051 64.244 63.200 -0.012 0.000 0.881 84 S HN 0.502 nan 8.310 nan 0.000 0.493 85 T N 5.420 119.985 114.554 0.019 0.000 2.746 85 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 85 T C 2.127 176.740 174.700 -0.146 0.000 1.039 85 T CA 1.511 63.554 62.100 -0.096 0.000 1.142 85 T CB -0.589 68.222 68.868 -0.096 0.000 0.866 85 T HN 0.813 nan 8.240 nan 0.000 0.444 86 A N 1.590 124.353 122.820 -0.095 0.000 1.930 86 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 86 A C 2.193 179.728 177.584 -0.082 0.000 1.175 86 A CA 1.462 53.445 52.037 -0.089 0.000 0.627 86 A CB -0.496 18.464 19.000 -0.067 0.000 0.815 86 A HN 0.562 nan 8.150 nan 0.000 0.443 87 E N -0.068 120.095 120.200 -0.061 0.000 2.110 87 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 87 E C 2.254 178.805 176.600 -0.080 0.000 0.988 87 E CA 1.263 57.632 56.400 -0.052 0.000 0.804 87 E CB -0.132 29.556 29.700 -0.020 0.000 0.745 87 E HN 0.594 nan 8.360 nan 0.000 0.458 88 S N 1.058 116.694 115.700 -0.107 0.000 2.368 88 S HA -0.178 4.292 4.470 -0.000 0.000 0.224 88 S C 1.930 176.424 174.600 -0.177 0.000 1.029 88 S CA 1.013 59.117 58.200 -0.160 0.000 0.988 88 S CB -0.139 62.911 63.200 -0.250 0.000 0.838 88 S HN 0.268 nan 8.310 nan 0.000 0.462 89 Q N 0.789 120.485 119.800 -0.173 0.000 2.167 89 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 89 Q C 2.320 178.244 176.000 -0.127 0.000 0.970 89 Q CA 1.058 56.771 55.803 -0.151 0.000 0.855 89 Q CB -0.172 28.483 28.738 -0.138 0.000 0.911 89 Q HN 0.610 nan 8.270 nan 0.000 0.438 90 Q N 0.868 120.601 119.800 -0.112 0.000 2.061 90 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 90 Q C 1.851 177.778 176.000 -0.121 0.000 0.984 90 Q CA 1.317 57.059 55.803 -0.102 0.000 0.846 90 Q CB -0.012 28.680 28.738 -0.078 0.000 0.902 90 Q HN 0.394 nan 8.270 nan 0.000 0.421 91 L N -0.062 121.084 121.223 -0.130 0.000 2.131 91 L HA -0.003 4.337 4.340 -0.000 0.000 0.206 91 L C 2.609 179.366 176.870 -0.188 0.000 1.087 91 L CA 0.627 55.375 54.840 -0.154 0.000 0.767 91 L CB -0.609 41.353 42.059 -0.161 0.000 0.917 91 L HN 0.283 nan 8.230 nan 0.000 0.441 92 A N 0.445 123.162 122.820 -0.173 0.000 1.948 92 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 92 A C 2.484 179.979 177.584 -0.148 0.000 1.177 92 A CA 2.124 54.067 52.037 -0.156 0.000 0.636 92 A CB -0.625 18.294 19.000 -0.135 0.000 0.815 92 A HN 0.416 nan 8.150 nan 0.000 0.449 93 A N -1.277 121.452 122.820 -0.152 0.000 1.935 93 A HA 0.105 4.425 4.320 -0.000 0.000 0.214 93 A C 2.367 179.814 177.584 -0.229 0.000 1.178 93 A CA 1.532 53.477 52.037 -0.154 0.000 0.640 93 A CB -0.633 18.289 19.000 -0.129 0.000 0.825 93 A HN 0.422 nan 8.150 nan 0.000 0.447 94 S N 0.299 115.834 115.700 -0.274 0.000 2.382 94 S HA -0.066 4.404 4.470 -0.000 0.000 0.228 94 S C 2.244 176.498 174.600 -0.578 0.000 1.027 94 S CA 1.161 59.067 58.200 -0.490 0.000 0.991 94 S CB -0.372 62.639 63.200 -0.315 0.000 0.823 94 S HN 0.760 nan 8.310 nan 0.000 0.469 95 A N 1.919 124.555 122.820 -0.305 0.000 1.873 95 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 95 A C 2.006 179.565 177.584 -0.040 0.000 1.186 95 A CA 1.994 53.899 52.037 -0.221 0.000 0.616 95 A CB -0.595 18.235 19.000 -0.284 0.000 0.823 95 A HN 0.377 nan 8.150 nan 0.000 0.442 96 K N 0.150 120.501 120.400 -0.082 0.000 2.063 96 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 96 K C 2.136 178.717 176.600 -0.033 0.000 1.048 96 K CA 1.754 58.024 56.287 -0.029 0.000 0.928 96 K CB -0.357 32.110 32.500 -0.055 0.000 0.713 96 K HN 0.440 nan 8.250 nan 0.000 0.442 97 R N -0.932 119.475 120.500 -0.155 0.000 2.082 97 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 97 R C 1.884 178.172 176.300 -0.021 0.000 1.136 97 R CA 1.875 57.869 56.100 -0.177 0.000 0.935 97 R CB -0.524 29.528 30.300 -0.414 0.000 0.842 97 R HN 0.289 nan 8.270 nan 0.000 0.430 98 Y N -0.393 119.976 120.300 0.115 0.000 2.619 98 Y HA 0.079 4.629 4.550 -0.000 0.000 0.308 98 Y C 1.641 177.648 175.900 0.179 0.000 1.192 98 Y CA 0.771 58.973 58.100 0.170 0.000 1.319 98 Y CB -0.292 38.334 38.460 0.277 0.000 1.030 98 Y HN 0.450 nan 8.280 nan 0.000 0.517 99 G N -1.623 107.341 108.800 0.273 0.000 2.194 99 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.236 99 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.236 99 G C 0.227 175.203 174.900 0.126 0.000 0.987 99 G CA -0.467 44.718 45.100 0.143 0.000 0.635 99 G HN 0.148 nan 8.290 nan 0.000 0.520 100 F N 1.856 121.842 119.950 0.061 0.000 2.650 100 F HA 0.200 4.726 4.527 -0.000 0.000 0.355 100 F C 1.686 177.505 175.800 0.031 0.000 1.163 100 F CA 1.168 59.194 58.000 0.044 0.000 1.374 100 F CB 0.520 39.543 39.000 0.039 0.000 1.065 100 F HN 0.052 nan 8.300 nan 0.000 0.616 101 D N 0.883 121.377 120.400 0.157 0.000 2.305 101 D HA 0.256 4.896 4.640 -0.000 0.000 0.206 101 D C 0.288 176.671 176.300 0.139 0.000 0.974 101 D CA 0.840 54.908 54.000 0.112 0.000 0.871 101 D CB 0.381 41.223 40.800 0.071 0.000 0.947 101 D HN 0.414 nan 8.370 nan 0.000 0.516 102 A N 0.232 123.164 122.820 0.187 0.000 2.597 102 A HA 0.506 4.826 4.320 -0.000 0.000 0.292 102 A C -0.784 176.872 177.584 0.119 0.000 1.057 102 A CA -0.737 51.386 52.037 0.143 0.000 0.674 102 A CB 1.119 20.208 19.000 0.148 0.000 1.278 102 A HN -0.066 nan 8.150 nan 0.000 0.416 103 V N -1.423 118.533 119.914 0.069 0.000 3.177 103 V HA 1.008 5.127 4.120 -0.000 0.000 0.319 103 V C 0.109 176.247 176.094 0.073 0.000 1.125 103 V CA -0.215 62.091 62.300 0.011 0.000 1.029 103 V CB 1.509 33.314 31.823 -0.030 0.000 1.119 103 V HN 1.920 nan 8.190 nan 0.000 0.452 104 S N 0.101 115.837 115.700 0.061 0.000 2.537 104 S HA 0.839 5.309 4.470 -0.000 0.000 0.271 104 S C -1.027 173.721 174.600 0.247 0.000 1.148 104 S CA 0.099 58.438 58.200 0.231 0.000 0.868 104 S CB 1.527 64.906 63.200 0.298 0.000 1.115 104 S HN 2.334 nan 8.310 nan 0.000 0.461 105 A N 2.684 125.773 122.820 0.449 0.000 2.437 105 A HA 0.690 5.010 4.320 -0.000 0.000 0.293 105 A C -0.354 177.599 177.584 0.615 0.000 1.038 105 A CA -0.519 51.747 52.037 0.382 0.000 0.708 105 A CB 1.355 20.412 19.000 0.095 0.000 1.251 105 A HN 1.523 nan 8.150 nan 0.000 0.409 106 V N 3.399 123.745 119.914 0.721 0.000 2.694 106 V HA 0.342 4.462 4.120 -0.000 0.000 0.306 106 V C 1.112 177.407 176.094 0.334 0.000 1.054 106 V CA 0.915 63.436 62.300 0.368 0.000 1.161 106 V CB 0.744 32.737 31.823 0.283 0.000 0.916 106 V HN 1.480 nan 8.190 nan 0.000 0.490 107 T N 7.129 121.858 114.554 0.290 0.000 2.800 107 T HA 0.113 4.463 4.350 -0.000 0.000 0.283 107 T C -2.217 172.651 174.700 0.279 0.000 0.999 107 T CA -0.733 61.537 62.100 0.285 0.000 1.176 107 T CB 0.241 69.215 68.868 0.176 0.000 0.973 107 T HN 0.752 nan 8.240 nan 0.000 0.519 108 P HA 0.369 nan 4.420 nan 0.000 0.270 108 P C -0.409 177.039 177.300 0.247 0.000 1.223 108 P CA -0.471 62.612 63.100 -0.029 0.000 0.785 108 P CB 0.310 31.727 31.700 -0.471 0.000 0.923 109 F N -1.318 118.751 119.950 0.198 0.000 2.922 109 F HA 0.535 5.062 4.527 0.000 0.000 0.345 109 F C 1.135 176.989 175.800 0.091 0.000 1.209 109 F CA -1.225 56.841 58.000 0.110 0.000 1.018 109 F CB -0.250 38.740 39.000 -0.015 0.000 1.472 109 F HN 0.432 nan 8.300 nan 0.000 0.521 110 Y N -0.737 119.657 120.300 0.157 0.000 2.729 110 Y HA -0.388 4.162 4.550 -0.000 0.000 0.483 110 Y C -0.534 175.173 175.900 -0.321 0.000 1.111 110 Y CA 1.665 59.681 58.100 -0.139 0.000 2.927 110 Y CB -1.724 36.557 38.460 -0.299 0.000 0.984 110 Y HN 0.537 nan 8.280 nan 0.000 0.571 111 Y N 3.499 123.731 120.300 -0.115 0.000 2.304 111 Y HA 0.404 4.954 4.550 -0.000 0.000 0.327 111 Y C -1.906 173.559 175.900 -0.726 0.000 1.209 111 Y CA -2.178 55.634 58.100 -0.479 0.000 1.299 111 Y CB -0.009 38.040 38.460 -0.684 0.000 1.249 111 Y HN -0.010 nan 8.280 nan 0.000 0.519 112 P HA 0.132 nan 4.420 nan 0.000 0.238 112 P C -1.075 176.078 177.300 -0.244 0.000 1.794 112 P CA -0.243 62.715 63.100 -0.236 0.000 1.088 112 P CB -0.680 30.950 31.700 -0.116 0.000 1.923 113 F N 0.523 120.474 119.950 0.002 0.000 2.459 113 F HA 0.173 4.700 4.527 -0.000 0.000 0.346 113 F C 1.835 177.592 175.800 -0.071 0.000 1.128 113 F CA -0.175 57.741 58.000 -0.140 0.000 1.268 113 F CB 0.113 38.864 39.000 -0.414 0.000 1.161 113 F HN 0.136 nan 8.300 nan 0.000 0.583 114 S N 2.129 117.924 115.700 0.158 0.000 2.626 114 S HA 0.091 4.561 4.470 -0.000 0.000 0.257 114 S C 0.746 175.536 174.600 0.316 0.000 1.288 114 S CA -0.422 57.898 58.200 0.200 0.000 0.980 114 S CB 0.214 63.499 63.200 0.142 0.000 0.975 114 S HN 0.570 nan 8.310 nan 0.000 0.577 115 F N 0.783 120.868 119.950 0.225 0.000 2.293 115 F HA 0.113 4.640 4.527 0.000 0.000 0.297 115 F C 2.433 178.353 175.800 0.200 0.000 1.089 115 F CA 1.412 59.580 58.000 0.279 0.000 1.377 115 F CB -0.605 38.504 39.000 0.181 0.000 1.051 115 F HN 0.929 nan 8.300 nan 0.000 0.511 116 E N 0.355 120.578 120.200 0.038 0.000 2.058 116 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 116 E C 1.999 178.543 176.600 -0.093 0.000 0.997 116 E CA 1.866 58.227 56.400 -0.065 0.000 0.801 116 E CB -0.226 29.485 29.700 0.018 0.000 0.746 116 E HN 0.557 nan 8.360 nan 0.000 0.450 117 E N -0.911 119.252 120.200 -0.061 0.000 2.160 117 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 117 E C 1.955 178.447 176.600 -0.181 0.000 0.991 117 E CA 1.315 57.634 56.400 -0.135 0.000 0.810 117 E CB -0.136 29.477 29.700 -0.145 0.000 0.742 117 E HN 0.486 nan 8.360 nan 0.000 0.466 118 H N -0.940 118.091 119.070 -0.065 0.000 2.333 118 H HA -0.069 4.488 4.556 0.000 0.000 0.302 118 H C 2.229 177.596 175.328 0.064 0.000 1.075 118 H CA 1.401 57.452 56.048 0.004 0.000 1.348 118 H CB 0.068 29.894 29.762 0.106 0.000 1.393 118 H HN 0.199 nan 8.280 nan 0.000 0.509 119 C N 0.466 119.728 119.300 -0.062 0.000 2.440 119 C HA -0.108 4.352 4.460 -0.000 0.000 0.278 119 C C 2.197 177.211 174.990 0.040 0.000 1.295 119 C CA 0.562 59.557 59.018 -0.040 0.000 1.738 119 C CB -0.370 27.225 27.740 -0.241 0.000 1.987 119 C HN 0.616 nan 8.230 nan 0.000 0.492 120 D N -0.287 120.104 120.400 -0.015 0.000 2.144 120 D HA -0.139 4.501 4.640 -0.000 0.000 0.199 120 D C 1.773 178.061 176.300 -0.020 0.000 0.984 120 D CA 1.450 55.435 54.000 -0.024 0.000 0.834 120 D CB -0.540 40.228 40.800 -0.055 0.000 0.955 120 D HN 0.656 nan 8.370 nan 0.000 0.465 121 H N -0.675 118.312 119.070 -0.138 0.000 2.321 121 H HA -0.157 4.398 4.556 -0.000 0.000 0.300 121 H C 1.719 176.928 175.328 -0.197 0.000 1.087 121 H CA 1.707 57.619 56.048 -0.227 0.000 1.319 121 H CB -0.209 29.351 29.762 -0.337 0.000 1.379 121 H HN 0.138 nan 8.280 nan 0.000 0.501 122 Y N 0.310 120.624 120.300 0.023 0.000 2.220 122 Y HA -0.072 4.478 4.550 0.000 0.000 0.291 122 Y C 2.752 178.615 175.900 -0.062 0.000 1.129 122 Y CA 1.406 59.498 58.100 -0.013 0.000 1.161 122 Y CB -0.117 38.375 38.460 0.053 0.000 0.997 122 Y HN 0.117 nan 8.280 nan 0.000 0.522 123 R N -0.378 120.175 120.500 0.088 0.000 2.081 123 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 123 R C 2.458 178.741 176.300 -0.028 0.000 1.131 123 R CA 1.231 57.348 56.100 0.028 0.000 0.960 123 R CB -0.624 29.682 30.300 0.010 0.000 0.856 123 R HN 0.302 nan 8.270 nan 0.000 0.436 124 A N 0.897 123.671 122.820 -0.077 0.000 1.969 124 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 124 A C 2.068 179.570 177.584 -0.136 0.000 1.169 124 A CA 1.109 53.080 52.037 -0.110 0.000 0.635 124 A CB -0.345 18.571 19.000 -0.139 0.000 0.810 124 A HN 0.191 nan 8.150 nan 0.000 0.445 125 I N -0.689 119.776 120.570 -0.175 0.000 2.617 125 I HA -0.143 4.027 4.170 -0.000 0.000 0.256 125 I C 2.065 178.133 176.117 -0.081 0.000 1.167 125 I CA 0.675 61.874 61.300 -0.169 0.000 1.469 125 I CB -0.167 37.688 38.000 -0.241 0.000 1.098 125 I HN 0.275 nan 8.210 nan 0.000 0.436 126 I N 0.654 121.203 120.570 -0.036 0.000 2.193 126 I HA -0.283 3.887 4.170 -0.000 0.000 0.240 126 I C 2.228 178.327 176.117 -0.029 0.000 1.084 126 I CA 1.516 62.810 61.300 -0.010 0.000 1.365 126 I CB -0.433 37.579 38.000 0.020 0.000 1.064 126 I HN 0.199 nan 8.210 nan 0.000 0.410 127 D N 0.900 121.278 120.400 -0.036 0.000 2.303 127 D HA -0.275 4.365 4.640 -0.000 0.000 0.190 127 D C 2.102 178.372 176.300 -0.050 0.000 1.011 127 D CA 2.373 56.348 54.000 -0.042 0.000 0.860 127 D CB -0.028 40.742 40.800 -0.050 0.000 0.961 127 D HN 0.136 nan 8.370 nan 0.000 0.453 128 S N -1.008 114.652 115.700 -0.067 0.000 2.481 128 S HA 0.051 4.521 4.470 -0.000 0.000 0.231 128 S C 1.804 176.361 174.600 -0.071 0.000 0.996 128 S CA 0.634 58.789 58.200 -0.075 0.000 0.942 128 S CB -0.090 63.053 63.200 -0.096 0.000 0.768 128 S HN 0.484 nan 8.310 nan 0.000 0.520 129 A N 1.043 123.827 122.820 -0.059 0.000 2.119 129 A HA 0.041 4.361 4.320 -0.000 0.000 0.217 129 A C 0.883 178.447 177.584 -0.034 0.000 1.153 129 A CA 0.774 52.784 52.037 -0.045 0.000 0.692 129 A CB -0.259 18.726 19.000 -0.026 0.000 0.799 129 A HN 0.346 nan 8.150 nan 0.000 0.458 130 D N -2.994 117.386 120.400 -0.035 0.000 2.746 130 D HA -0.146 4.494 4.640 -0.000 0.000 0.236 130 D C 0.947 177.234 176.300 -0.023 0.000 1.129 130 D CA 1.868 55.849 54.000 -0.030 0.000 0.691 130 D CB -1.567 39.212 40.800 -0.034 0.000 1.077 130 D HN 1.361 nan 8.370 nan 0.000 0.432 131 G N -1.724 107.062 108.800 -0.023 0.000 2.176 131 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.253 131 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.253 131 G C 0.215 175.108 174.900 -0.012 0.000 0.979 131 G CA 0.246 45.331 45.100 -0.025 0.000 0.641 131 G HN 0.487 nan 8.290 nan 0.000 0.530 132 L N 1.857 123.082 121.223 0.003 0.000 2.426 132 L HA 0.468 4.808 4.340 -0.000 0.000 0.271 132 L C -1.410 175.480 176.870 0.032 0.000 1.169 132 L CA -1.732 53.123 54.840 0.027 0.000 0.836 132 L CB 0.205 42.287 42.059 0.040 0.000 1.112 132 L HN -0.078 nan 8.230 nan 0.000 0.465 133 P HA 0.106 nan 4.420 nan 0.000 0.267 133 P C -0.719 176.629 177.300 0.079 0.000 1.200 133 P CA -0.231 62.906 63.100 0.062 0.000 0.772 133 P CB 0.471 32.221 31.700 0.082 0.000 0.855 134 M N 3.541 123.190 119.600 0.082 0.000 2.268 134 M HA 0.332 4.812 4.480 -0.000 0.000 0.344 134 M C -1.523 174.862 176.300 0.142 0.000 1.106 134 M CA -0.548 54.822 55.300 0.117 0.000 1.010 134 M CB 1.204 33.876 32.600 0.121 0.000 1.649 134 M HN -0.050 nan 8.290 nan 0.000 0.443 135 V N 6.250 126.287 119.914 0.204 0.000 2.294 135 V HA 0.334 4.454 4.120 -0.000 0.000 0.272 135 V C -0.278 175.993 176.094 0.295 0.000 1.027 135 V CA -1.004 61.446 62.300 0.250 0.000 0.823 135 V CB 0.601 32.606 31.823 0.304 0.000 1.030 135 V HN 0.710 nan 8.190 nan 0.000 0.457 136 V N 5.354 125.380 119.914 0.186 0.000 2.557 136 V HA -0.024 4.096 4.120 -0.000 0.000 0.301 136 V C -0.110 176.187 176.094 0.337 0.000 1.026 136 V CA 0.189 62.584 62.300 0.159 0.000 1.137 136 V CB 0.027 31.748 31.823 -0.170 0.000 0.917 136 V HN 0.748 nan 8.190 nan 0.000 0.484 137 Y N 6.380 126.872 120.300 0.320 0.000 2.478 137 Y HA 0.348 4.897 4.550 -0.000 0.000 0.329 137 Y C 0.134 176.153 175.900 0.199 0.000 0.967 137 Y CA -1.890 56.362 58.100 0.252 0.000 1.255 137 Y CB 0.702 39.373 38.460 0.351 0.000 1.103 137 Y HN 0.758 nan 8.280 nan 0.000 0.497 138 N N 7.155 126.079 118.700 0.373 0.000 2.439 138 N HA 0.338 5.077 4.740 -0.000 0.000 0.249 138 N C -1.109 174.447 175.510 0.076 0.000 1.003 138 N CA -0.138 52.999 53.050 0.145 0.000 0.942 138 N CB 0.483 39.039 38.487 0.116 0.000 1.115 138 N HN 0.792 nan 8.380 nan 0.000 0.505 139 I N 6.034 126.573 120.570 -0.051 0.000 2.867 139 I HA 0.313 4.483 4.170 -0.000 0.000 0.282 139 I C -2.248 173.844 176.117 -0.043 0.000 1.437 139 I CA -2.197 59.059 61.300 -0.073 0.000 0.918 139 I CB 1.413 39.306 38.000 -0.178 0.000 1.612 139 I HN 0.457 nan 8.210 nan 0.000 0.592 140 P HA -0.196 nan 4.420 nan 0.000 0.215 140 P C 1.714 179.028 177.300 0.022 0.000 1.157 140 P CA 1.973 65.086 63.100 0.022 0.000 0.874 140 P CB 0.212 31.939 31.700 0.044 0.000 0.790 141 A N -0.641 122.218 122.820 0.066 0.000 1.909 141 A HA -0.243 4.077 4.320 -0.000 0.000 0.221 141 A C 2.190 179.778 177.584 0.007 0.000 1.223 141 A CA 2.227 54.305 52.037 0.069 0.000 0.658 141 A CB -1.647 17.449 19.000 0.160 0.000 0.831 141 A HN 0.183 nan 8.150 nan 0.000 0.462 142 L N -0.975 120.229 121.223 -0.031 0.000 2.470 142 L HA 0.001 4.341 4.340 -0.000 0.000 0.219 142 L C 2.733 179.492 176.870 -0.186 0.000 1.071 142 L CA 1.008 55.789 54.840 -0.099 0.000 0.850 142 L CB -0.080 41.917 42.059 -0.104 0.000 1.040 142 L HN 0.625 nan 8.230 nan 0.000 0.475 143 S N -0.833 114.777 115.700 -0.150 0.000 2.421 143 S HA 0.086 4.556 4.470 -0.000 0.000 0.224 143 S C 1.633 176.229 174.600 -0.006 0.000 1.035 143 S CA 0.723 58.854 58.200 -0.114 0.000 0.953 143 S CB 0.401 63.584 63.200 -0.029 0.000 0.810 143 S HN 0.433 nan 8.310 nan 0.000 0.497 144 G N 0.442 109.235 108.800 -0.012 0.000 2.157 144 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.239 144 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.239 144 G C 0.015 174.932 174.900 0.028 0.000 0.982 144 G CA 0.033 45.132 45.100 -0.001 0.000 0.650 144 G HN 0.705 nan 8.290 nan 0.000 0.527 145 V N 0.460 120.402 119.914 0.045 0.000 2.567 145 V HA 0.604 4.724 4.120 -0.000 0.000 0.289 145 V C 0.393 176.502 176.094 0.025 0.000 1.049 145 V CA -0.085 62.250 62.300 0.057 0.000 0.969 145 V CB 1.647 33.507 31.823 0.062 0.000 0.995 145 V HN 0.291 nan 8.190 nan 0.000 0.471 146 K N 5.337 125.750 120.400 0.022 0.000 2.664 146 K HA 0.531 4.851 4.320 -0.000 0.000 0.234 146 K C -1.520 175.067 176.600 -0.022 0.000 0.980 146 K CA -0.396 55.892 56.287 0.002 0.000 0.996 146 K CB 1.376 33.879 32.500 0.006 0.000 1.190 146 K HN 0.450 nan 8.250 nan 0.000 0.479 147 L N 2.099 123.294 121.223 -0.047 0.000 2.307 147 L HA 0.344 4.684 4.340 -0.000 0.000 0.282 147 L C 1.138 177.938 176.870 -0.117 0.000 1.051 147 L CA -0.600 54.174 54.840 -0.111 0.000 0.804 147 L CB 1.282 43.280 42.059 -0.101 0.000 1.197 147 L HN 0.600 nan 8.230 nan 0.000 0.431 148 T N -0.742 113.713 114.554 -0.166 0.000 2.652 148 T HA 0.087 4.437 4.350 -0.000 0.000 0.319 148 T C 1.037 175.658 174.700 -0.131 0.000 1.029 148 T CA -0.360 61.659 62.100 -0.135 0.000 0.990 148 T CB 0.636 69.420 68.868 -0.141 0.000 1.098 148 T HN 0.502 nan 8.240 nan 0.000 0.520 149 L N 0.406 121.562 121.223 -0.112 0.000 2.005 149 L HA -0.016 4.324 4.340 -0.000 0.000 0.207 149 L C 2.373 179.194 176.870 -0.081 0.000 1.072 149 L CA 1.946 56.726 54.840 -0.100 0.000 0.744 149 L CB -0.819 41.169 42.059 -0.118 0.000 0.895 149 L HN 0.671 nan 8.230 nan 0.000 0.433 150 D N -0.702 119.645 120.400 -0.089 0.000 2.116 150 D HA -0.243 4.397 4.640 -0.000 0.000 0.193 150 D C 2.178 178.422 176.300 -0.094 0.000 0.998 150 D CA 1.480 55.441 54.000 -0.065 0.000 0.836 150 D CB -0.156 40.606 40.800 -0.063 0.000 0.951 150 D HN 0.523 nan 8.370 nan 0.000 0.449 151 Q N 0.058 119.703 119.800 -0.259 0.000 2.030 151 Q HA -0.125 4.215 4.340 -0.000 0.000 0.204 151 Q C 2.568 178.482 176.000 -0.144 0.000 0.986 151 Q CA 0.896 56.357 55.803 -0.570 0.000 0.843 151 Q CB -0.152 27.924 28.738 -1.102 0.000 0.904 151 Q HN 0.333 nan 8.270 nan 0.000 0.420 152 I N 1.206 121.724 120.570 -0.085 0.000 2.264 152 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 152 I C 1.746 177.921 176.117 0.097 0.000 1.111 152 I CA 0.756 62.074 61.300 0.028 0.000 1.382 152 I CB -0.255 37.750 38.000 0.008 0.000 1.060 152 I HN 0.246 nan 8.210 nan 0.000 0.418 153 N N 0.192 118.961 118.700 0.115 0.000 2.120 153 N HA -0.143 4.597 4.740 -0.000 0.000 0.188 153 N C 1.816 177.427 175.510 0.167 0.000 1.024 153 N CA 1.715 54.908 53.050 0.238 0.000 0.852 153 N CB -0.605 37.995 38.487 0.189 0.000 1.003 153 N HN 0.268 nan 8.380 nan 0.000 0.424 154 T N 1.282 115.937 114.554 0.168 0.000 2.951 154 T HA 0.083 4.432 4.350 -0.000 0.000 0.268 154 T C 1.921 176.729 174.700 0.180 0.000 1.073 154 T CA 0.282 62.502 62.100 0.200 0.000 1.134 154 T CB 0.010 69.074 68.868 0.327 0.000 0.884 154 T HN 0.151 nan 8.240 nan 0.000 0.479 155 L N 1.381 122.726 121.223 0.203 0.000 2.217 155 L HA -0.003 4.337 4.340 -0.000 0.000 0.211 155 L C 2.362 179.200 176.870 -0.054 0.000 1.107 155 L CA 1.007 55.886 54.840 0.066 0.000 0.783 155 L CB -0.175 41.917 42.059 0.056 0.000 0.919 155 L HN 0.272 nan 8.230 nan 0.000 0.442 156 V N -5.260 114.631 119.914 -0.039 0.000 3.650 156 V HA 0.033 4.152 4.120 -0.000 0.000 0.271 156 V C 1.732 177.780 176.094 -0.076 0.000 1.281 156 V CA 0.877 63.120 62.300 -0.096 0.000 1.120 156 V CB -0.403 31.333 31.823 -0.146 0.000 0.856 156 V HN 0.440 nan 8.190 nan 0.000 0.443 157 T N -1.428 113.097 114.554 -0.050 0.000 3.145 157 T HA 0.435 4.785 4.350 -0.000 0.000 0.255 157 T C 0.399 175.114 174.700 0.025 0.000 1.039 157 T CA -0.255 61.841 62.100 -0.006 0.000 0.928 157 T CB -0.485 68.364 68.868 -0.032 0.000 1.029 157 T HN 0.362 nan 8.240 nan 0.000 0.554 158 L N 2.546 123.779 121.223 0.016 0.000 2.455 158 L HA 0.300 4.640 4.340 -0.000 0.000 0.272 158 L C -2.148 174.742 176.870 0.033 0.000 1.174 158 L CA -2.111 52.742 54.840 0.021 0.000 0.869 158 L CB 0.122 42.186 42.059 0.008 0.000 1.130 158 L HN 0.013 nan 8.230 nan 0.000 0.474 159 P HA 0.091 nan 4.420 nan 0.000 0.267 159 P C 0.721 178.041 177.300 0.032 0.000 1.209 159 P CA 0.447 63.572 63.100 0.042 0.000 0.763 159 P CB 0.881 32.601 31.700 0.032 0.000 0.816 160 G N 1.497 110.318 108.800 0.036 0.000 2.195 160 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.224 160 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.224 160 G C -0.021 174.897 174.900 0.030 0.000 0.990 160 G CA -0.310 44.804 45.100 0.024 0.000 0.639 160 G HN 0.536 nan 8.290 nan 0.000 0.514 161 V N 1.414 121.342 119.914 0.024 0.000 2.488 161 V HA 0.575 4.695 4.120 -0.000 0.000 0.277 161 V C 1.512 177.578 176.094 -0.045 0.000 1.046 161 V CA 1.121 63.419 62.300 -0.003 0.000 0.986 161 V CB 1.364 33.165 31.823 -0.037 0.000 0.989 161 V HN 0.597 nan 8.190 nan 0.000 0.475 162 G N 3.103 111.883 108.800 -0.032 0.000 2.848 162 G HA2 0.628 4.588 3.960 -0.000 0.000 0.213 162 G HA3 0.628 4.588 3.960 -0.000 0.000 0.213 162 G C 0.228 175.062 174.900 -0.110 0.000 1.101 162 G CA 0.794 45.852 45.100 -0.069 0.000 0.778 162 G HN 0.996 nan 8.290 nan 0.000 0.536 163 A N -1.001 121.795 122.820 -0.040 0.000 2.506 163 A HA 0.756 5.076 4.320 -0.000 0.000 0.305 163 A C -2.392 175.221 177.584 0.048 0.000 1.166 163 A CA -0.521 51.501 52.037 -0.025 0.000 0.638 163 A CB 1.024 20.092 19.000 0.114 0.000 1.336 163 A HN 0.661 nan 8.150 nan 0.000 0.493 164 L N 0.189 121.466 121.223 0.090 0.000 2.528 164 L HA 0.502 4.842 4.340 -0.000 0.000 0.267 164 L C -0.525 176.499 176.870 0.258 0.000 0.961 164 L CA -0.131 54.793 54.840 0.139 0.000 0.866 164 L CB 1.680 43.772 42.059 0.054 0.000 1.248 164 L HN 0.673 nan 8.230 nan 0.000 0.404 165 K N 3.260 123.804 120.400 0.240 0.000 2.315 165 K HA 0.177 4.497 4.320 -0.000 0.000 0.291 165 K C -0.433 176.237 176.600 0.117 0.000 1.074 165 K CA -0.172 56.164 56.287 0.082 0.000 0.936 165 K CB 0.469 32.805 32.500 -0.274 0.000 1.049 165 K HN 0.603 nan 8.250 nan 0.000 0.471 166 Q N 3.095 122.937 119.800 0.070 0.000 2.571 166 Q HA 0.108 4.448 4.340 -0.000 0.000 0.222 166 Q C -1.110 174.886 176.000 -0.007 0.000 1.167 166 Q CA -0.114 55.721 55.803 0.053 0.000 0.966 166 Q CB 0.767 29.532 28.738 0.045 0.000 1.274 166 Q HN 0.347 nan 8.270 nan 0.000 0.552 167 T N 2.361 116.890 114.554 -0.043 0.000 3.688 167 T HA 0.390 4.739 4.350 -0.000 0.000 0.307 167 T C -0.761 173.803 174.700 -0.227 0.000 1.382 167 T CA -0.094 61.818 62.100 -0.314 0.000 1.136 167 T CB -0.240 68.436 68.868 -0.320 0.000 1.207 167 T HN 0.483 nan 8.240 nan 0.000 0.854 168 S N 0.876 116.625 115.700 0.081 0.000 2.550 168 S HA 0.624 5.094 4.470 -0.000 0.000 0.270 168 S C 0.804 175.657 174.600 0.422 0.000 1.145 168 S CA -0.517 57.893 58.200 0.350 0.000 0.852 168 S CB 1.543 64.839 63.200 0.161 0.000 1.119 168 S HN 0.415 nan 8.310 nan 0.000 0.465 169 G N 0.915 109.886 108.800 0.284 0.000 3.189 169 G HA2 0.177 4.137 3.960 -0.000 0.000 0.225 169 G HA3 0.177 4.137 3.960 -0.000 0.000 0.225 169 G C -0.157 174.793 174.900 0.084 0.000 1.159 169 G CA -0.097 45.071 45.100 0.112 0.000 0.763 169 G HN 0.674 nan 8.290 nan 0.000 0.549 170 D N 0.848 121.307 120.400 0.099 0.000 2.428 170 D HA 0.246 4.886 4.640 -0.000 0.000 0.221 170 D C 1.300 177.655 176.300 0.092 0.000 1.123 170 D CA -0.443 53.610 54.000 0.088 0.000 0.869 170 D CB 0.796 41.640 40.800 0.074 0.000 1.032 170 D HN 0.045 nan 8.370 nan 0.000 0.506 171 L N 3.560 124.845 121.223 0.103 0.000 2.567 171 L HA -0.009 4.330 4.340 -0.000 0.000 0.225 171 L C 1.615 178.577 176.870 0.154 0.000 1.119 171 L CA -0.105 54.793 54.840 0.097 0.000 0.871 171 L CB -0.259 41.843 42.059 0.072 0.000 1.036 171 L HN 0.430 nan 8.230 nan 0.000 0.459 172 Y N 1.567 121.871 120.300 0.007 0.000 2.114 172 Y HA -0.304 4.247 4.550 0.002 0.000 0.284 172 Y C 2.607 178.507 175.900 0.000 0.000 1.143 172 Y CA 1.837 59.938 58.100 0.001 0.000 1.135 172 Y CB -0.446 38.014 38.460 0.000 0.000 0.980 172 Y HN 0.204 nan 8.280 nan 0.000 0.499 173 Q N -0.680 119.079 119.800 -0.069 0.000 2.050 173 Q HA -0.253 4.087 4.340 -0.000 0.000 0.202 173 Q C 2.379 178.340 176.000 -0.065 0.000 0.980 173 Q CA 2.012 57.717 55.803 -0.164 0.000 0.840 173 Q CB -0.268 28.410 28.738 -0.101 0.000 0.898 173 Q HN 0.503 nan 8.270 nan 0.000 0.424 174 M N 0.875 120.475 119.600 0.000 0.000 2.108 174 M HA -0.231 4.249 4.480 -0.000 0.000 0.257 174 M C 1.825 178.128 176.300 0.005 0.000 1.071 174 M CA 1.804 57.110 55.300 0.010 0.000 1.093 174 M CB -0.247 32.369 32.600 0.026 0.000 1.345 174 M HN 0.219 nan 8.290 nan 0.000 0.403 175 E N -0.422 119.794 120.200 0.027 0.000 2.112 175 E HA -0.181 4.169 4.350 -0.000 0.000 0.190 175 E C 1.918 178.520 176.600 0.002 0.000 0.979 175 E CA 1.291 57.711 56.400 0.033 0.000 0.814 175 E CB -0.263 29.488 29.700 0.085 0.000 0.762 175 E HN 0.729 nan 8.360 nan 0.000 0.460 176 Q N 0.039 119.814 119.800 -0.042 0.000 2.226 176 Q HA -0.087 4.253 4.340 -0.000 0.000 0.204 176 Q C 2.342 178.279 176.000 -0.104 0.000 0.975 176 Q CA 1.155 56.897 55.803 -0.102 0.000 0.866 176 Q CB 0.009 28.607 28.738 -0.234 0.000 0.915 176 Q HN 0.369 nan 8.270 nan 0.000 0.440 177 I N -0.057 120.470 120.570 -0.071 0.000 2.353 177 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 177 I C 2.446 178.543 176.117 -0.032 0.000 1.119 177 I CA 0.596 61.873 61.300 -0.039 0.000 1.417 177 I CB -0.070 37.940 38.000 0.017 0.000 1.078 177 I HN 0.087 nan 8.210 nan 0.000 0.421 178 R N 1.717 122.203 120.500 -0.023 0.000 2.061 178 R HA -0.175 4.165 4.340 -0.000 0.000 0.230 178 R C 2.323 178.603 176.300 -0.034 0.000 1.140 178 R CA 1.807 57.900 56.100 -0.012 0.000 0.940 178 R CB -0.746 29.549 30.300 -0.008 0.000 0.839 178 R HN 0.109 nan 8.270 nan 0.000 0.429 179 R N -0.084 120.389 120.500 -0.045 0.000 2.134 179 R HA -0.225 4.115 4.340 -0.000 0.000 0.248 179 R C 2.021 178.261 176.300 -0.101 0.000 1.143 179 R CA 2.242 58.310 56.100 -0.053 0.000 0.957 179 R CB -0.395 29.880 30.300 -0.043 0.000 0.867 179 R HN 0.294 nan 8.270 nan 0.000 0.441 180 E N -0.134 119.950 120.200 -0.194 0.000 2.028 180 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 180 E C -0.142 176.211 176.600 -0.413 0.000 0.988 180 E CA 1.520 57.693 56.400 -0.378 0.000 0.799 180 E CB 0.114 29.446 29.700 -0.614 0.000 0.755 180 E HN 0.587 nan 8.360 nan 0.000 0.447 181 H N -0.842 118.231 119.070 0.005 0.000 2.632 181 H HA 0.248 4.804 4.556 0.000 0.000 0.258 181 H C -1.974 173.375 175.328 0.036 0.000 1.278 181 H CA -1.990 54.077 56.048 0.031 0.000 1.352 181 H CB 1.463 31.298 29.762 0.122 0.000 1.418 181 H HN 0.113 nan 8.280 nan 0.000 0.513 182 P HA -0.119 nan 4.420 nan 0.000 0.226 182 P C 0.573 177.904 177.300 0.052 0.000 1.153 182 P CA 1.092 64.221 63.100 0.048 0.000 0.777 182 P CB 0.490 32.208 31.700 0.030 0.000 0.794 183 D N -1.794 118.651 120.400 0.074 0.000 2.469 183 D HA 0.093 4.733 4.640 -0.000 0.000 0.213 183 D C 0.543 176.845 176.300 0.004 0.000 1.135 183 D CA -0.301 53.723 54.000 0.039 0.000 0.834 183 D CB 0.245 41.062 40.800 0.029 0.000 1.009 183 D HN 0.077 nan 8.370 nan 0.000 0.507 184 L N 1.602 122.851 121.223 0.043 0.000 2.506 184 L HA -0.020 4.320 4.340 -0.000 0.000 0.281 184 L C -0.203 176.579 176.870 -0.147 0.000 1.228 184 L CA 0.311 55.092 54.840 -0.100 0.000 0.850 184 L CB 0.868 42.928 42.059 0.003 0.000 1.110 184 L HN -0.289 nan 8.230 nan 0.000 0.496 185 V N 6.663 126.436 119.914 -0.236 0.000 2.339 185 V HA 0.167 4.287 4.120 -0.000 0.000 0.261 185 V C -0.095 175.712 176.094 -0.479 0.000 1.058 185 V CA -0.385 61.708 62.300 -0.345 0.000 0.897 185 V CB 0.656 32.257 31.823 -0.369 0.000 1.052 185 V HN 0.494 nan 8.190 nan 0.000 0.480 186 L N 7.742 128.739 121.223 -0.377 0.000 2.283 186 L HA 0.481 4.820 4.340 -0.000 0.000 0.281 186 L C -0.661 176.058 176.870 -0.252 0.000 1.033 186 L CA -0.384 54.306 54.840 -0.250 0.000 0.848 186 L CB 0.516 42.503 42.059 -0.122 0.000 1.226 186 L HN 0.474 nan 8.230 nan 0.000 0.429 187 Y N 3.046 123.309 120.300 -0.061 0.000 2.452 187 Y HA 0.205 4.754 4.550 -0.000 0.000 0.348 187 Y C 0.990 176.823 175.900 -0.112 0.000 0.985 187 Y CA -0.361 57.686 58.100 -0.088 0.000 1.214 187 Y CB 0.101 38.493 38.460 -0.113 0.000 1.136 187 Y HN 0.620 nan 8.280 nan 0.000 0.523 188 N N 1.678 120.369 118.700 -0.016 0.000 2.412 188 N HA 0.062 4.802 4.740 -0.000 0.000 0.258 188 N C 1.060 176.560 175.510 -0.018 0.000 1.236 188 N CA 0.798 53.814 53.050 -0.055 0.000 0.882 188 N CB 0.616 38.973 38.487 -0.217 0.000 1.066 188 N HN 0.883 nan 8.380 nan 0.000 0.465 189 G N 1.977 110.748 108.800 -0.049 0.000 2.748 189 G HA2 0.001 3.961 3.960 -0.000 0.000 0.204 189 G HA3 0.001 3.961 3.960 -0.000 0.000 0.204 189 G C -0.530 174.271 174.900 -0.165 0.000 1.095 189 G CA 0.003 45.003 45.100 -0.167 0.000 0.775 189 G HN 0.521 nan 8.290 nan 0.000 0.531 190 Y N 2.027 122.345 120.300 0.030 0.000 2.350 190 Y HA 0.320 4.870 4.550 0.000 0.000 0.340 190 Y C 0.792 176.758 175.900 0.109 0.000 1.006 190 Y CA -1.276 56.855 58.100 0.051 0.000 1.166 190 Y CB 1.581 40.074 38.460 0.054 0.000 1.168 190 Y HN -0.009 nan 8.280 nan 0.000 0.502 191 D N 1.011 121.581 120.400 0.285 0.000 2.162 191 D HA -0.160 4.480 4.640 -0.000 0.000 0.203 191 D C 1.818 178.350 176.300 0.387 0.000 0.967 191 D CA 0.940 55.138 54.000 0.330 0.000 0.840 191 D CB 0.002 40.928 40.800 0.211 0.000 0.972 191 D HN 0.722 nan 8.370 nan 0.000 0.482 192 E N 1.551 121.912 120.200 0.267 0.000 2.448 192 E HA -0.190 4.160 4.350 -0.000 0.000 0.203 192 E C 1.567 178.270 176.600 0.172 0.000 1.046 192 E CA 0.754 57.264 56.400 0.185 0.000 0.871 192 E CB -0.511 29.248 29.700 0.098 0.000 0.790 192 E HN 0.547 nan 8.360 nan 0.000 0.545 193 I N -4.861 115.844 120.570 0.225 0.000 4.026 193 I HA 0.282 4.452 4.170 -0.000 0.000 0.324 193 I C 1.177 177.437 176.117 0.239 0.000 1.474 193 I CA -0.782 60.631 61.300 0.189 0.000 1.107 193 I CB -0.384 37.689 38.000 0.122 0.000 1.345 193 I HN -0.197 nan 8.210 nan 0.000 0.531 194 F N 2.949 123.013 119.950 0.190 0.000 2.037 194 F HA -0.376 4.149 4.527 -0.002 0.000 0.296 194 F C 2.636 178.515 175.800 0.132 0.000 1.132 194 F CA 3.325 61.442 58.000 0.195 0.000 1.211 194 F CB -0.100 39.092 39.000 0.320 0.000 0.951 194 F HN 0.267 nan 8.300 nan 0.000 0.503 195 A N -0.661 122.446 122.820 0.478 0.000 1.903 195 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 195 A C 2.300 179.969 177.584 0.142 0.000 1.191 195 A CA 2.546 54.759 52.037 0.293 0.000 0.638 195 A CB -1.485 17.626 19.000 0.186 0.000 0.823 195 A HN 0.513 nan 8.150 nan 0.000 0.451 196 S N -0.913 114.856 115.700 0.115 0.000 2.368 196 S HA -0.045 4.425 4.470 -0.000 0.000 0.225 196 S C 2.072 176.692 174.600 0.033 0.000 1.030 196 S CA 1.209 59.449 58.200 0.067 0.000 0.999 196 S CB -0.667 62.574 63.200 0.067 0.000 0.844 196 S HN 0.818 nan 8.310 nan 0.000 0.459 197 G N 1.498 110.303 108.800 0.009 0.000 2.418 197 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.217 197 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.217 197 G C 1.333 176.172 174.900 -0.101 0.000 1.158 197 G CA 0.474 45.545 45.100 -0.049 0.000 0.771 197 G HN 0.414 nan 8.290 nan 0.000 0.545 198 L N -0.366 120.762 121.223 -0.159 0.000 2.079 198 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 198 L C 2.743 179.594 176.870 -0.032 0.000 1.081 198 L CA 0.733 55.502 54.840 -0.119 0.000 0.752 198 L CB -0.384 41.638 42.059 -0.061 0.000 0.896 198 L HN 0.250 nan 8.230 nan 0.000 0.433 199 L N 0.252 121.475 121.223 -0.000 0.000 2.083 199 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 199 L C 2.428 179.304 176.870 0.009 0.000 1.083 199 L CA 1.911 56.760 54.840 0.015 0.000 0.752 199 L CB -0.612 41.464 42.059 0.027 0.000 0.899 199 L HN 0.127 nan 8.230 nan 0.000 0.433 200 A N -1.493 121.330 122.820 0.005 0.000 2.235 200 A HA 0.425 4.745 4.320 -0.000 0.000 0.208 200 A C 1.637 179.224 177.584 0.004 0.000 1.172 200 A CA 0.711 52.757 52.037 0.014 0.000 0.786 200 A CB -0.613 18.404 19.000 0.028 0.000 0.804 200 A HN 0.762 nan 8.150 nan 0.000 0.479 201 G N -2.659 106.134 108.800 -0.012 0.000 2.234 201 G HA2 0.257 4.217 3.960 -0.000 0.000 0.153 201 G HA3 0.257 4.217 3.960 -0.000 0.000 0.153 201 G C 0.332 175.207 174.900 -0.042 0.000 1.013 201 G CA -0.010 45.079 45.100 -0.018 0.000 0.712 201 G HN 1.284 nan 8.290 nan 0.000 0.491 202 A N 0.734 123.515 122.820 -0.066 0.000 2.406 202 A HA 0.547 4.867 4.320 -0.000 0.000 0.243 202 A C 0.907 178.432 177.584 -0.098 0.000 1.082 202 A CA 0.968 52.940 52.037 -0.108 0.000 0.786 202 A CB 0.310 19.207 19.000 -0.173 0.000 1.029 202 A HN 0.857 nan 8.150 nan 0.000 0.495 203 D N -0.844 119.488 120.400 -0.114 0.000 2.599 203 D HA 0.460 5.099 4.640 -0.000 0.000 0.249 203 D C 0.244 176.512 176.300 -0.053 0.000 1.313 203 D CA 0.522 54.477 54.000 -0.074 0.000 0.815 203 D CB -0.070 40.686 40.800 -0.073 0.000 1.077 203 D HN 1.102 nan 8.370 nan 0.000 0.492 204 G N -1.801 106.956 108.800 -0.071 0.000 2.345 204 G HA2 0.533 4.493 3.960 -0.000 0.000 0.285 204 G HA3 0.533 4.493 3.960 -0.000 0.000 0.285 204 G C -0.844 174.079 174.900 0.039 0.000 1.297 204 G CA -0.297 44.840 45.100 0.061 0.000 0.875 204 G HN 0.712 nan 8.290 nan 0.000 0.506 205 G N -1.440 107.550 108.800 0.317 0.000 2.559 205 G HA2 0.696 4.656 3.960 -0.000 0.000 0.291 205 G HA3 0.696 4.656 3.960 -0.000 0.000 0.291 205 G C -1.651 173.440 174.900 0.318 0.000 1.424 205 G CA -0.540 44.748 45.100 0.314 0.000 0.786 205 G HN 0.940 nan 8.290 nan 0.000 0.485 206 I N -0.219 120.368 120.570 0.028 0.000 2.730 206 I HA 0.802 4.972 4.170 -0.000 0.000 0.298 206 I C 0.354 176.152 176.117 -0.532 0.000 1.089 206 I CA -0.761 60.371 61.300 -0.279 0.000 1.041 206 I CB 2.519 40.121 38.000 -0.663 0.000 1.235 206 I HN 0.965 nan 8.210 nan 0.000 0.423 207 G N 1.354 109.537 108.800 -1.030 0.000 2.523 207 G HA2 0.329 4.289 3.960 -0.000 0.000 0.291 207 G HA3 0.329 4.289 3.960 -0.000 0.000 0.291 207 G C -0.065 174.253 174.900 -0.970 0.000 1.450 207 G CA 0.099 44.545 45.100 -1.090 0.000 0.790 207 G HN 0.611 nan 8.290 nan 0.000 0.496 208 S N -1.635 113.766 115.700 -0.498 0.000 2.478 208 S HA -0.026 4.444 4.470 -0.000 0.000 0.222 208 S C 2.179 176.698 174.600 -0.134 0.000 1.008 208 S CA 1.826 59.891 58.200 -0.226 0.000 0.928 208 S CB -0.264 62.929 63.200 -0.011 0.000 0.781 208 S HN 1.254 nan 8.310 nan 0.000 0.518 209 T N -1.037 113.436 114.554 -0.136 0.000 2.985 209 T HA -0.012 4.338 4.350 -0.000 0.000 0.266 209 T C 1.561 176.360 174.700 0.165 0.000 1.076 209 T CA 0.535 62.670 62.100 0.059 0.000 1.135 209 T CB -0.788 68.173 68.868 0.155 0.000 0.890 209 T HN 0.323 nan 8.240 nan 0.000 0.480 210 Y N 2.918 123.142 120.300 -0.127 0.000 2.181 210 Y HA -0.116 4.434 4.550 -0.000 0.000 0.284 210 Y C 2.356 178.262 175.900 0.010 0.000 1.179 210 Y CA 0.030 58.078 58.100 -0.087 0.000 1.179 210 Y CB -1.628 36.745 38.460 -0.144 0.000 0.973 210 Y HN 0.397 nan 8.280 nan 0.000 0.519 211 N N 0.688 119.481 118.700 0.155 0.000 2.493 211 N HA -0.163 4.576 4.740 -0.000 0.000 0.191 211 N C 1.407 176.998 175.510 0.135 0.000 1.041 211 N CA 1.675 54.797 53.050 0.121 0.000 0.904 211 N CB -0.241 38.259 38.487 0.022 0.000 0.948 211 N HN 0.604 nan 8.380 nan 0.000 0.446 212 I N -3.467 117.179 120.570 0.127 0.000 4.442 212 I HA 0.242 4.412 4.170 -0.000 0.000 0.331 212 I C 0.565 176.687 176.117 0.009 0.000 1.364 212 I CA -0.150 61.236 61.300 0.143 0.000 1.207 212 I CB 0.491 38.532 38.000 0.069 0.000 1.298 212 I HN -0.111 nan 8.210 nan 0.000 0.463 213 M N -0.967 118.499 119.600 -0.223 0.000 4.661 213 M HA 0.479 4.959 4.480 -0.000 0.000 0.587 213 M C 1.015 176.876 176.300 -0.730 0.000 2.069 213 M CA 0.084 54.806 55.300 -0.964 0.000 0.537 213 M CB -0.349 31.895 32.600 -0.593 0.000 1.487 213 M HN -0.050 nan 8.290 nan 0.000 0.625 214 G N 2.474 111.139 108.800 -0.225 0.000 2.703 214 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.222 214 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.222 214 G C 0.934 175.745 174.900 -0.149 0.000 1.183 214 G CA 2.341 47.398 45.100 -0.072 0.000 0.775 214 G HN 0.928 nan 8.290 nan 0.000 0.615 215 W N 0.910 122.205 121.300 -0.007 0.000 2.304 215 W HA -0.129 4.530 4.660 -0.001 0.000 0.315 215 W C 2.564 179.005 176.519 -0.129 0.000 1.233 215 W CA 1.137 58.444 57.345 -0.063 0.000 1.261 215 W CB -0.814 28.616 29.460 -0.050 0.000 1.150 215 W HN 0.108 nan 8.180 nan 0.000 0.494 216 R N -0.321 119.818 120.500 -0.602 0.000 2.153 216 R HA -0.264 4.076 4.340 -0.000 0.000 0.252 216 R C 2.098 178.054 176.300 -0.573 0.000 1.158 216 R CA 2.488 58.264 56.100 -0.539 0.000 0.975 216 R CB -1.110 28.732 30.300 -0.764 0.000 0.871 216 R HN 0.385 nan 8.270 nan 0.000 0.450 217 Y N 0.423 120.412 120.300 -0.518 0.000 2.314 217 Y HA -0.122 4.428 4.550 0.000 0.000 0.293 217 Y C 2.672 178.229 175.900 -0.571 0.000 1.129 217 Y CA 0.777 58.418 58.100 -0.766 0.000 1.201 217 Y CB -0.110 37.657 38.460 -1.156 0.000 0.999 217 Y HN 0.023 nan 8.280 nan 0.000 0.541 218 Q N -0.194 119.487 119.800 -0.198 0.000 2.050 218 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 218 Q C 2.646 178.618 176.000 -0.047 0.000 0.980 218 Q CA 1.506 57.264 55.803 -0.074 0.000 0.840 218 Q CB -1.089 27.648 28.738 -0.003 0.000 0.898 218 Q HN 0.598 nan 8.270 nan 0.000 0.424 219 G N 1.351 110.118 108.800 -0.055 0.000 2.469 219 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 219 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 219 G C 1.576 176.457 174.900 -0.032 0.000 1.150 219 G CA 0.879 45.961 45.100 -0.031 0.000 0.763 219 G HN 0.288 nan 8.290 nan 0.000 0.561 220 I N 0.379 120.899 120.570 -0.084 0.000 2.208 220 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 220 I C 2.801 178.974 176.117 0.093 0.000 1.097 220 I CA 0.651 61.944 61.300 -0.012 0.000 1.363 220 I CB -0.264 37.709 38.000 -0.045 0.000 1.051 220 I HN 0.049 nan 8.210 nan 0.000 0.413 221 V N 0.750 120.737 119.914 0.121 0.000 2.332 221 V HA -0.339 3.781 4.120 -0.000 0.000 0.248 221 V C 2.497 178.646 176.094 0.091 0.000 1.055 221 V CA 1.973 64.372 62.300 0.164 0.000 1.038 221 V CB -0.780 31.145 31.823 0.171 0.000 0.651 221 V HN 0.419 nan 8.190 nan 0.000 0.450 222 K N 0.285 120.719 120.400 0.057 0.000 1.973 222 K HA -0.190 4.130 4.320 -0.000 0.000 0.212 222 K C 2.325 178.947 176.600 0.038 0.000 1.047 222 K CA 1.600 57.912 56.287 0.041 0.000 0.937 222 K CB -0.493 32.023 32.500 0.027 0.000 0.721 222 K HN 0.383 nan 8.250 nan 0.000 0.440 223 A N 1.438 124.278 122.820 0.033 0.000 1.971 223 A HA -0.225 4.095 4.320 -0.000 0.000 0.222 223 A C 2.158 179.765 177.584 0.039 0.000 1.182 223 A CA 1.802 53.858 52.037 0.030 0.000 0.649 223 A CB -0.738 18.277 19.000 0.024 0.000 0.818 223 A HN 0.379 nan 8.150 nan 0.000 0.458 224 L N -1.413 119.843 121.223 0.055 0.000 2.068 224 L HA -0.123 4.217 4.340 -0.000 0.000 0.204 224 L C 2.592 179.489 176.870 0.044 0.000 1.076 224 L CA 1.621 56.494 54.840 0.055 0.000 0.753 224 L CB -0.417 41.688 42.059 0.077 0.000 0.910 224 L HN 0.440 nan 8.230 nan 0.000 0.439 225 K N 0.617 121.045 120.400 0.046 0.000 2.034 225 K HA -0.269 4.051 4.320 -0.000 0.000 0.214 225 K C 1.927 178.544 176.600 0.029 0.000 1.051 225 K CA 2.057 58.366 56.287 0.037 0.000 0.931 225 K CB -0.040 32.483 32.500 0.039 0.000 0.715 225 K HN 0.317 nan 8.250 nan 0.000 0.446 226 E N -1.388 118.828 120.200 0.028 0.000 2.085 226 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 226 E C 1.036 177.648 176.600 0.020 0.000 0.994 226 E CA 1.012 57.425 56.400 0.022 0.000 0.801 226 E CB -0.067 29.645 29.700 0.020 0.000 0.743 226 E HN 0.661 nan 8.360 nan 0.000 0.453 227 G N 1.865 110.679 108.800 0.023 0.000 2.131 227 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.201 227 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.201 227 G C -0.257 174.654 174.900 0.019 0.000 1.000 227 G CA 0.191 45.303 45.100 0.021 0.000 0.680 227 G HN 0.272 nan 8.290 nan 0.000 0.514 228 D N 0.685 121.096 120.400 0.020 0.000 2.563 228 D HA 0.402 5.042 4.640 -0.000 0.000 0.222 228 D C 1.883 178.194 176.300 0.019 0.000 1.145 228 D CA -0.679 53.331 54.000 0.017 0.000 1.001 228 D CB -0.524 40.285 40.800 0.014 0.000 1.049 228 D HN 0.318 nan 8.370 nan 0.000 0.515 229 I N 1.329 121.911 120.570 0.019 0.000 2.399 229 I HA -0.332 3.838 4.170 -0.000 0.000 0.254 229 I C 2.038 178.166 176.117 0.017 0.000 1.146 229 I CA 1.030 62.343 61.300 0.021 0.000 1.412 229 I CB -0.021 37.991 38.000 0.019 0.000 1.076 229 I HN 0.445 nan 8.210 nan 0.000 0.432 230 Q N -0.439 119.368 119.800 0.013 0.000 2.046 230 Q HA -0.194 4.145 4.340 -0.000 0.000 0.200 230 Q C 2.257 178.260 176.000 0.005 0.000 0.975 230 Q CA 2.016 57.824 55.803 0.009 0.000 0.836 230 Q CB -0.254 28.488 28.738 0.007 0.000 0.896 230 Q HN 0.372 nan 8.270 nan 0.000 0.428 231 T N -0.175 114.381 114.554 0.004 0.000 3.035 231 T HA 0.119 4.469 4.350 -0.000 0.000 0.259 231 T C 1.777 176.472 174.700 -0.008 0.000 1.078 231 T CA 0.709 62.807 62.100 -0.002 0.000 1.132 231 T CB -0.100 68.767 68.868 -0.002 0.000 0.900 231 T HN 0.338 nan 8.240 nan 0.000 0.480 232 A N 1.426 124.248 122.820 0.003 0.000 1.896 232 A HA -0.282 4.038 4.320 -0.000 0.000 0.220 232 A C 2.170 179.757 177.584 0.005 0.000 1.206 232 A CA 2.379 54.422 52.037 0.011 0.000 0.647 232 A CB -0.858 18.163 19.000 0.035 0.000 0.828 232 A HN 0.684 nan 8.150 nan 0.000 0.455 233 Q N -1.343 118.462 119.800 0.009 0.000 2.230 233 Q HA -0.062 4.278 4.340 -0.000 0.000 0.202 233 Q C 2.073 178.068 176.000 -0.009 0.000 0.963 233 Q CA 0.989 56.796 55.803 0.007 0.000 0.866 233 Q CB -0.079 28.666 28.738 0.011 0.000 0.931 233 Q HN 0.412 nan 8.270 nan 0.000 0.452 234 K N 0.847 121.239 120.400 -0.014 0.000 2.147 234 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 234 K C 1.744 178.314 176.600 -0.049 0.000 1.049 234 K CA 0.991 57.265 56.287 -0.023 0.000 0.936 234 K CB 0.024 32.515 32.500 -0.016 0.000 0.722 234 K HN 0.256 nan 8.250 nan 0.000 0.446 235 L N -0.210 120.970 121.223 -0.071 0.000 2.145 235 L HA -0.083 4.257 4.340 -0.000 0.000 0.201 235 L C 2.549 179.309 176.870 -0.184 0.000 1.075 235 L CA 0.536 55.289 54.840 -0.144 0.000 0.773 235 L CB -0.450 41.509 42.059 -0.167 0.000 0.936 235 L HN 0.029 nan 8.230 nan 0.000 0.451 236 Q N 0.382 120.115 119.800 -0.111 0.000 2.096 236 Q HA -0.219 4.121 4.340 -0.000 0.000 0.208 236 Q C 2.108 178.081 176.000 -0.045 0.000 0.993 236 Q CA 2.745 58.515 55.803 -0.055 0.000 0.862 236 Q CB -0.628 28.127 28.738 0.029 0.000 0.915 236 Q HN 0.381 nan 8.270 nan 0.000 0.416 237 T N 0.871 115.405 114.554 -0.034 0.000 2.833 237 T HA -0.117 4.233 4.350 -0.000 0.000 0.269 237 T C 1.293 175.976 174.700 -0.029 0.000 1.054 237 T CA 1.432 63.520 62.100 -0.019 0.000 1.135 237 T CB -0.120 68.741 68.868 -0.013 0.000 0.869 237 T HN 0.330 nan 8.240 nan 0.000 0.466 238 E N 0.368 120.535 120.200 -0.056 0.000 2.170 238 E HA 0.022 4.372 4.350 -0.000 0.000 0.191 238 E C 2.548 179.103 176.600 -0.075 0.000 0.981 238 E CA 0.335 56.702 56.400 -0.056 0.000 0.830 238 E CB -0.513 29.150 29.700 -0.062 0.000 0.775 238 E HN 0.468 nan 8.360 nan 0.000 0.470 239 C N 1.514 120.736 119.300 -0.130 0.000 2.413 239 C HA -0.120 4.339 4.460 -0.000 0.000 0.276 239 C C 2.306 177.296 174.990 -0.001 0.000 1.248 239 C CA 0.937 59.886 59.018 -0.116 0.000 1.742 239 C CB -1.341 26.264 27.740 -0.225 0.000 2.017 239 C HN 0.508 nan 8.230 nan 0.000 0.481 240 N N 0.114 118.820 118.700 0.010 0.000 2.459 240 N HA -0.075 4.664 4.740 -0.000 0.000 0.181 240 N C 1.562 177.087 175.510 0.025 0.000 1.046 240 N CA 0.566 53.637 53.050 0.035 0.000 0.904 240 N CB -0.049 38.458 38.487 0.035 0.000 0.964 240 N HN 0.634 nan 8.380 nan 0.000 0.444 241 K N 0.450 120.857 120.400 0.012 0.000 2.217 241 K HA 0.004 4.324 4.320 -0.000 0.000 0.202 241 K C 1.768 178.383 176.600 0.025 0.000 1.051 241 K CA 0.683 56.980 56.287 0.017 0.000 0.952 241 K CB 0.191 32.697 32.500 0.011 0.000 0.736 241 K HN 0.013 nan 8.250 nan 0.000 0.453 242 V N 1.674 121.601 119.914 0.023 0.000 2.331 242 V HA -0.146 3.974 4.120 -0.000 0.000 0.242 242 V C 2.158 178.277 176.094 0.042 0.000 1.034 242 V CA 1.155 63.475 62.300 0.033 0.000 1.027 242 V CB -0.310 31.528 31.823 0.025 0.000 0.667 242 V HN 0.212 nan 8.190 nan 0.000 0.457 243 I N 0.560 121.162 120.570 0.054 0.000 2.185 243 I HA -0.326 3.844 4.170 -0.000 0.000 0.246 243 I C 2.313 178.452 176.117 0.037 0.000 1.088 243 I CA 1.831 63.167 61.300 0.060 0.000 1.347 243 I CB -0.541 37.512 38.000 0.089 0.000 1.041 243 I HN 0.345 nan 8.210 nan 0.000 0.415 244 D N 0.591 121.012 120.400 0.035 0.000 2.116 244 D HA -0.207 4.433 4.640 -0.000 0.000 0.193 244 D C 1.956 178.275 176.300 0.032 0.000 0.998 244 D CA 1.285 55.302 54.000 0.029 0.000 0.836 244 D CB -0.303 40.515 40.800 0.030 0.000 0.951 244 D HN 0.178 nan 8.370 nan 0.000 0.449 245 L N 0.135 121.382 121.223 0.041 0.000 2.217 245 L HA 0.024 4.364 4.340 -0.000 0.000 0.211 245 L C 1.912 178.790 176.870 0.013 0.000 1.107 245 L CA 1.069 55.942 54.840 0.055 0.000 0.783 245 L CB -0.177 41.927 42.059 0.074 0.000 0.919 245 L HN 0.033 nan 8.230 nan 0.000 0.442 246 L N -1.447 119.776 121.223 0.001 0.000 2.418 246 L HA -0.072 4.268 4.340 -0.000 0.000 0.218 246 L C 2.228 179.056 176.870 -0.070 0.000 1.125 246 L CA 0.439 55.259 54.840 -0.034 0.000 0.835 246 L CB -0.235 41.819 42.059 -0.009 0.000 0.953 246 L HN 0.234 nan 8.230 nan 0.000 0.454 247 I N -0.210 120.333 120.570 -0.045 0.000 2.406 247 I HA -0.223 3.947 4.170 -0.000 0.000 0.249 247 I C 2.293 178.368 176.117 -0.071 0.000 1.122 247 I CA 1.173 62.439 61.300 -0.057 0.000 1.431 247 I CB -0.056 37.928 38.000 -0.026 0.000 1.087 247 I HN 0.208 nan 8.210 nan 0.000 0.424 248 K N 0.372 120.742 120.400 -0.050 0.000 2.097 248 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 248 K C 2.084 178.514 176.600 -0.282 0.000 1.050 248 K CA 2.060 58.319 56.287 -0.046 0.000 0.938 248 K CB -0.164 32.405 32.500 0.115 0.000 0.718 248 K HN 0.462 nan 8.250 nan 0.000 0.442 249 T N -2.650 111.669 114.554 -0.393 0.000 2.814 249 T HA 0.160 4.509 4.350 -0.000 0.000 0.254 249 T C 0.924 175.415 174.700 -0.348 0.000 1.037 249 T CA 0.471 62.198 62.100 -0.623 0.000 1.143 249 T CB 0.188 68.791 68.868 -0.442 0.000 0.866 249 T HN 0.216 nan 8.240 nan 0.000 0.431 250 G N 0.103 108.758 108.800 -0.243 0.000 2.414 250 G HA2 0.250 4.210 3.960 -0.000 0.000 0.213 250 G HA3 0.250 4.210 3.960 -0.000 0.000 0.213 250 G C 0.215 174.972 174.900 -0.238 0.000 1.444 250 G CA -0.355 44.605 45.100 -0.233 0.000 1.076 250 G HN 0.163 nan 8.290 nan 0.000 0.638 251 V N 2.343 122.081 119.914 -0.294 0.000 2.324 251 V HA -0.186 3.934 4.120 -0.000 0.000 0.250 251 V C 2.496 178.532 176.094 -0.097 0.000 1.060 251 V CA 2.602 64.762 62.300 -0.235 0.000 1.042 251 V CB -0.699 30.939 31.823 -0.308 0.000 0.650 251 V HN 0.680 nan 8.190 nan 0.000 0.450 252 F N 0.883 120.710 119.950 -0.206 0.000 2.147 252 F HA 0.047 4.574 4.527 -0.000 0.000 0.291 252 F C 2.541 178.214 175.800 -0.212 0.000 1.093 252 F CA 1.224 59.087 58.000 -0.228 0.000 1.263 252 F CB -1.283 37.517 39.000 -0.332 0.000 1.036 252 F HN 0.160 nan 8.300 nan 0.000 0.481 253 R N 0.523 120.967 120.500 -0.093 0.000 2.280 253 R HA 0.086 4.426 4.340 -0.000 0.000 0.207 253 R C 2.091 178.354 176.300 -0.062 0.000 1.043 253 R CA 1.154 57.202 56.100 -0.087 0.000 1.006 253 R CB -1.131 29.099 30.300 -0.117 0.000 0.885 253 R HN 0.312 nan 8.270 nan 0.000 0.467 254 G N 2.054 110.813 108.800 -0.068 0.000 2.425 254 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.213 254 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.213 254 G C 1.470 176.372 174.900 0.003 0.000 1.201 254 G CA 0.293 45.371 45.100 -0.037 0.000 0.799 254 G HN 0.156 nan 8.290 nan 0.000 0.534 255 L N 0.291 121.518 121.223 0.006 0.000 2.079 255 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 255 L C 2.889 179.748 176.870 -0.019 0.000 1.081 255 L CA 1.236 56.081 54.840 0.009 0.000 0.752 255 L CB -0.178 41.895 42.059 0.022 0.000 0.896 255 L HN 0.136 nan 8.230 nan 0.000 0.433 256 K N -0.961 119.421 120.400 -0.030 0.000 2.155 256 K HA -0.050 4.270 4.320 -0.000 0.000 0.203 256 K C 2.011 178.582 176.600 -0.048 0.000 1.052 256 K CA 1.418 57.669 56.287 -0.060 0.000 0.948 256 K CB -0.102 32.355 32.500 -0.070 0.000 0.728 256 K HN 0.277 nan 8.250 nan 0.000 0.448 257 T N 1.023 115.564 114.554 -0.021 0.000 3.014 257 T HA -0.028 4.322 4.350 -0.000 0.000 0.263 257 T C 1.971 176.698 174.700 0.046 0.000 1.078 257 T CA 0.368 62.460 62.100 -0.013 0.000 1.135 257 T CB 0.065 68.953 68.868 0.034 0.000 0.895 257 T HN -0.093 nan 8.240 nan 0.000 0.480 258 V N 1.893 121.871 119.914 0.107 0.000 2.214 258 V HA -0.151 3.969 4.120 -0.000 0.000 0.244 258 V C 2.413 178.552 176.094 0.076 0.000 1.045 258 V CA 1.723 64.119 62.300 0.161 0.000 0.993 258 V CB -0.645 31.236 31.823 0.096 0.000 0.633 258 V HN 0.422 nan 8.190 nan 0.000 0.449 259 L N -0.340 120.865 121.223 -0.030 0.000 2.351 259 L HA -0.250 4.090 4.340 -0.000 0.000 0.220 259 L C 2.419 179.254 176.870 -0.057 0.000 1.127 259 L CA 1.701 56.469 54.840 -0.121 0.000 0.786 259 L CB -0.835 41.104 42.059 -0.200 0.000 0.914 259 L HN 0.540 nan 8.230 nan 0.000 0.443 260 H N -1.171 117.789 119.070 -0.183 0.000 2.423 260 H HA -0.179 4.376 4.556 -0.000 0.000 0.297 260 H C 1.989 177.182 175.328 -0.225 0.000 1.075 260 H CA 1.462 57.366 56.048 -0.240 0.000 1.342 260 H CB 0.264 29.807 29.762 -0.364 0.000 1.395 260 H HN 0.290 nan 8.280 nan 0.000 0.530 261 Y N 0.132 120.389 120.300 -0.072 0.000 2.286 261 Y HA -0.062 4.488 4.550 -0.000 0.000 0.293 261 Y C 2.604 178.475 175.900 -0.048 0.000 1.124 261 Y CA 0.683 58.718 58.100 -0.108 0.000 1.178 261 Y CB -0.214 38.216 38.460 -0.051 0.000 1.010 261 Y HN 0.163 nan 8.280 nan 0.000 0.536 262 M N -0.406 119.261 119.600 0.111 0.000 2.549 262 M HA -0.107 4.373 4.480 -0.000 0.000 0.260 262 M C -0.334 176.005 176.300 0.064 0.000 1.076 262 M CA 1.366 56.720 55.300 0.089 0.000 1.090 262 M CB -0.329 32.279 32.600 0.015 0.000 1.418 262 M HN 0.113 nan 8.290 nan 0.000 0.486 263 D N -1.406 119.005 120.400 0.019 0.000 2.873 263 D HA -0.119 4.521 4.640 -0.000 0.000 0.228 263 D C 0.117 176.435 176.300 0.030 0.000 1.122 263 D CA 0.172 54.187 54.000 0.025 0.000 0.758 263 D CB -1.295 39.527 40.800 0.037 0.000 1.094 263 D HN 0.202 nan 8.370 nan 0.000 0.434 264 V N -1.077 118.826 119.914 -0.019 0.000 3.578 264 V HA 0.225 4.345 4.120 -0.000 0.000 0.290 264 V C 0.572 176.637 176.094 -0.049 0.000 1.376 264 V CA 0.055 62.333 62.300 -0.038 0.000 1.083 264 V CB 0.890 32.627 31.823 -0.144 0.000 0.911 264 V HN 0.141 nan 8.190 nan 0.000 0.433 265 V N -0.474 119.428 119.914 -0.021 0.000 2.612 265 V HA 0.303 4.423 4.120 -0.000 0.000 0.301 265 V C 0.920 177.021 176.094 0.012 0.000 1.059 265 V CA -0.044 62.233 62.300 -0.039 0.000 0.886 265 V CB 1.877 33.645 31.823 -0.090 0.000 1.007 265 V HN 0.199 nan 8.190 nan 0.000 0.426 266 S N 2.912 118.599 115.700 -0.022 0.000 2.368 266 S HA -0.002 4.468 4.470 -0.000 0.000 0.224 266 S C 0.562 175.061 174.600 -0.169 0.000 1.029 266 S CA 0.999 59.189 58.200 -0.015 0.000 0.988 266 S CB 0.148 63.341 63.200 -0.011 0.000 0.838 266 S HN 0.579 nan 8.310 nan 0.000 0.462 267 V N 3.255 123.045 119.914 -0.207 0.000 2.447 267 V HA 0.274 4.394 4.120 -0.000 0.000 0.292 267 V C -2.063 173.874 176.094 -0.261 0.000 1.021 267 V CA -1.610 60.514 62.300 -0.293 0.000 0.850 267 V CB 1.821 33.564 31.823 -0.132 0.000 1.005 267 V HN 0.107 nan 8.190 nan 0.000 0.426 268 P HA -0.010 nan 4.420 nan 0.000 0.244 268 P C 0.514 177.760 177.300 -0.091 0.000 1.211 268 P CA 0.127 63.101 63.100 -0.210 0.000 0.760 268 P CB 0.400 31.969 31.700 -0.218 0.000 0.961 269 L N -0.007 121.188 121.223 -0.048 0.000 2.514 269 L HA -0.032 4.308 4.340 -0.000 0.000 0.280 269 L C 0.873 177.838 176.870 0.158 0.000 1.223 269 L CA 0.146 55.014 54.840 0.048 0.000 0.864 269 L CB 0.123 42.220 42.059 0.064 0.000 1.118 269 L HN 0.069 nan 8.230 nan 0.000 0.494 270 C N 3.026 122.421 119.300 0.157 0.000 2.335 270 C HA 0.432 4.892 4.460 -0.000 0.000 0.363 270 C C 0.649 175.780 174.990 0.236 0.000 1.198 270 C CA -0.977 58.201 59.018 0.266 0.000 2.279 270 C CB 1.188 28.997 27.740 0.113 0.000 2.334 270 C HN 0.717 nan 8.230 nan 0.000 0.559 271 R N 1.394 121.997 120.500 0.171 0.000 2.543 271 R HA 0.151 4.491 4.340 -0.000 0.000 0.277 271 R C -0.017 176.337 176.300 0.091 0.000 1.074 271 R CA -0.305 55.764 56.100 -0.051 0.000 1.076 271 R CB 0.471 30.590 30.300 -0.302 0.000 0.993 271 R HN 0.547 nan 8.270 nan 0.000 0.459 272 K N 3.192 123.595 120.400 0.006 0.000 2.518 272 K HA -0.021 4.299 4.320 -0.000 0.000 0.276 272 K C -1.420 175.141 176.600 -0.066 0.000 0.974 272 K CA -1.030 55.256 56.287 -0.002 0.000 0.986 272 K CB 0.206 32.693 32.500 -0.022 0.000 0.901 272 K HN 0.459 nan 8.250 nan 0.000 0.497 273 P HA 0.020 nan 4.420 nan 0.000 0.245 273 P C -0.080 177.197 177.300 -0.038 0.000 1.206 273 P CA -0.001 63.042 63.100 -0.096 0.000 0.781 273 P CB 0.191 31.811 31.700 -0.134 0.000 0.994 274 F N 1.610 121.575 119.950 0.026 0.000 2.635 274 F HA 0.218 4.744 4.527 -0.000 0.000 0.379 274 F C 1.898 177.711 175.800 0.022 0.000 1.094 274 F CA 0.663 58.684 58.000 0.034 0.000 1.300 274 F CB -0.343 38.700 39.000 0.071 0.000 1.035 274 F HN -0.072 nan 8.300 nan 0.000 0.581 275 G N 3.332 112.274 108.800 0.237 0.000 2.537 275 G HA2 0.577 4.537 3.960 -0.000 0.000 0.297 275 G HA3 0.577 4.537 3.960 -0.000 0.000 0.297 275 G C -2.636 172.322 174.900 0.096 0.000 1.310 275 G CA -1.311 43.865 45.100 0.126 0.000 1.027 275 G HN 0.443 nan 8.290 nan 0.000 0.505 276 P HA 0.210 nan 4.420 nan 0.000 0.275 276 P C 0.169 177.491 177.300 0.037 0.000 1.228 276 P CA -0.344 62.783 63.100 0.044 0.000 0.786 276 P CB 1.108 32.834 31.700 0.042 0.000 0.927 277 V N 2.552 122.479 119.914 0.021 0.000 2.901 277 V HA -0.067 4.053 4.120 -0.000 0.000 0.307 277 V C 1.240 177.377 176.094 0.073 0.000 1.084 277 V CA 0.473 62.780 62.300 0.011 0.000 1.184 277 V CB -0.213 31.619 31.823 0.014 0.000 0.941 277 V HN 0.647 nan 8.190 nan 0.000 0.493 278 D N 2.528 122.994 120.400 0.111 0.000 2.362 278 D HA 0.054 4.694 4.640 -0.000 0.000 0.242 278 D C 1.058 177.523 176.300 0.276 0.000 1.132 278 D CA -0.321 53.811 54.000 0.219 0.000 0.907 278 D CB 1.157 42.151 40.800 0.322 0.000 1.195 278 D HN 0.619 nan 8.370 nan 0.000 0.429 279 E N 2.102 122.411 120.200 0.180 0.000 2.047 279 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 279 E C 1.775 178.448 176.600 0.121 0.000 0.987 279 E CA 1.032 57.514 56.400 0.136 0.000 0.799 279 E CB -0.037 29.715 29.700 0.086 0.000 0.752 279 E HN 0.559 nan 8.360 nan 0.000 0.449 280 K N -0.034 120.399 120.400 0.055 0.000 2.442 280 K HA -0.114 4.206 4.320 -0.000 0.000 0.198 280 K C 1.566 178.091 176.600 -0.124 0.000 1.044 280 K CA 1.131 57.374 56.287 -0.073 0.000 0.948 280 K CB -0.342 32.050 32.500 -0.180 0.000 0.762 280 K HN 0.138 nan 8.250 nan 0.000 0.472 281 Y N 1.166 121.491 120.300 0.043 0.000 2.420 281 Y HA 0.107 4.657 4.550 -0.001 0.000 0.292 281 Y C 1.891 177.829 175.900 0.063 0.000 1.119 281 Y CA 0.174 58.301 58.100 0.046 0.000 1.229 281 Y CB -0.142 38.347 38.460 0.048 0.000 1.026 281 Y HN -0.113 nan 8.280 nan 0.000 0.554 282 L N 0.237 121.602 121.223 0.237 0.000 1.997 282 L HA -0.253 4.087 4.340 -0.000 0.000 0.216 282 L C -0.436 176.483 176.870 0.082 0.000 1.074 282 L CA 1.624 56.597 54.840 0.222 0.000 0.763 282 L CB -1.935 40.262 42.059 0.229 0.000 0.890 282 L HN 0.151 nan 8.230 nan 0.000 0.434 283 P HA -0.244 nan 4.420 nan 0.000 0.218 283 P C 1.239 178.515 177.300 -0.040 0.000 1.165 283 P CA 1.815 64.900 63.100 -0.026 0.000 0.922 283 P CB -0.044 31.642 31.700 -0.023 0.000 0.794 284 E N -1.229 118.976 120.200 0.009 0.000 2.170 284 E HA -0.025 4.325 4.350 -0.000 0.000 0.191 284 E C 2.200 178.818 176.600 0.031 0.000 0.981 284 E CA 0.515 56.927 56.400 0.019 0.000 0.830 284 E CB -0.582 29.151 29.700 0.054 0.000 0.775 284 E HN 0.219 nan 8.360 nan 0.000 0.470 285 L N 1.466 122.737 121.223 0.080 0.000 1.994 285 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 285 L C 2.697 179.553 176.870 -0.024 0.000 1.071 285 L CA 1.488 56.400 54.840 0.120 0.000 0.745 285 L CB -0.419 41.795 42.059 0.259 0.000 0.892 285 L HN 0.042 nan 8.230 nan 0.000 0.431 286 K N 0.416 120.614 120.400 -0.337 0.000 2.063 286 K HA -0.223 4.097 4.320 -0.000 0.000 0.208 286 K C 2.096 178.500 176.600 -0.327 0.000 1.048 286 K CA 1.528 57.325 56.287 -0.816 0.000 0.928 286 K CB -0.189 31.793 32.500 -0.864 0.000 0.713 286 K HN 0.269 nan 8.250 nan 0.000 0.442 287 A N 0.855 123.574 122.820 -0.168 0.000 1.908 287 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 287 A C 2.062 179.629 177.584 -0.028 0.000 1.181 287 A CA 1.547 53.537 52.037 -0.078 0.000 0.627 287 A CB -0.608 18.367 19.000 -0.042 0.000 0.818 287 A HN 0.399 nan 8.150 nan 0.000 0.445 288 L N -0.694 120.529 121.223 -0.000 0.000 2.095 288 L HA 0.124 4.464 4.340 -0.000 0.000 0.204 288 L C 2.686 179.601 176.870 0.075 0.000 1.080 288 L CA 1.805 56.673 54.840 0.047 0.000 0.759 288 L CB -0.923 41.175 42.059 0.065 0.000 0.914 288 L HN 0.341 nan 8.230 nan 0.000 0.439 289 A N -0.880 121.986 122.820 0.077 0.000 1.851 289 A HA -0.297 4.023 4.320 -0.000 0.000 0.216 289 A C 2.159 179.800 177.584 0.096 0.000 1.195 289 A CA 1.996 54.105 52.037 0.119 0.000 0.622 289 A CB -0.761 18.339 19.000 0.167 0.000 0.831 289 A HN 0.608 nan 8.150 nan 0.000 0.444 290 Q N -1.110 118.709 119.800 0.032 0.000 2.173 290 Q HA -0.314 4.026 4.340 -0.000 0.000 0.208 290 Q C 2.338 178.365 176.000 0.045 0.000 0.989 290 Q CA 2.039 57.856 55.803 0.022 0.000 0.872 290 Q CB -0.200 28.523 28.738 -0.026 0.000 0.909 290 Q HN 0.881 nan 8.270 nan 0.000 0.420 291 Q N 0.478 120.311 119.800 0.054 0.000 2.049 291 Q HA -0.124 4.216 4.340 -0.000 0.000 0.198 291 Q C 2.037 178.105 176.000 0.113 0.000 0.971 291 Q CA 0.776 56.619 55.803 0.067 0.000 0.833 291 Q CB 0.042 28.816 28.738 0.061 0.000 0.896 291 Q HN 0.362 nan 8.270 nan 0.000 0.434 292 L N 0.121 121.443 121.223 0.164 0.000 2.141 292 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 292 L C 2.503 179.532 176.870 0.266 0.000 1.094 292 L CA 0.813 55.823 54.840 0.284 0.000 0.763 292 L CB -0.138 42.120 42.059 0.333 0.000 0.908 292 L HN 0.364 nan 8.230 nan 0.000 0.437 293 M N -1.278 118.434 119.600 0.186 0.000 2.117 293 M HA -0.271 4.209 4.480 -0.000 0.000 0.262 293 M C 2.208 178.519 176.300 0.018 0.000 1.065 293 M CA 1.813 57.183 55.300 0.117 0.000 1.114 293 M CB -0.331 32.338 32.600 0.114 0.000 1.361 293 M HN 0.270 nan 8.290 nan 0.000 0.408 294 Q N 0.152 119.969 119.800 0.027 0.000 2.187 294 Q HA -0.140 4.200 4.340 -0.000 0.000 0.199 294 Q C 1.629 177.606 176.000 -0.038 0.000 0.957 294 Q CA 1.161 56.959 55.803 -0.009 0.000 0.857 294 Q CB 0.030 28.772 28.738 0.007 0.000 0.929 294 Q HN 0.636 nan 8.270 nan 0.000 0.453 295 E N 0.416 120.610 120.200 -0.010 0.000 2.482 295 E HA -0.108 4.242 4.350 -0.000 0.000 0.196 295 E C 1.761 178.243 176.600 -0.196 0.000 1.047 295 E CA 0.265 56.650 56.400 -0.025 0.000 0.869 295 E CB 0.056 29.817 29.700 0.101 0.000 0.836 295 E HN 0.183 nan 8.360 nan 0.000 0.520 296 R N 1.312 121.607 120.500 -0.341 0.000 2.102 296 R HA 0.188 4.528 4.340 -0.000 0.000 0.208 296 R C 0.508 176.614 176.300 -0.323 0.000 1.131 296 R CA 1.284 57.038 56.100 -0.577 0.000 1.054 296 R CB 0.632 30.394 30.300 -0.897 0.000 0.954 296 R HN 0.134 nan 8.270 nan 0.000 0.465 297 G N 0.000 108.669 108.800 -0.219 0.000 5.446 297 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 297 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 297 G CA 0.000 45.015 45.100 -0.142 0.000 0.502 297 G HN 0.000 nan 8.290 nan 0.000 0.925