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 1tt4_1_B DATA FIRST_RESID 5 DATA SEQUENCE DFHVSEPYTL GIELEMQVIN PPGYDLSQDS STLIDAVKPQ LTAGEIKHDI DATA SEQUENCE TESMLEMATG VCRDIDQAAA QLSAMQHVIL QAASEHHLGI CGGGTHPFQK DATA SEQUENCE WXXXXXXXXX XXXRTLENFG YLIQQATVFG QHVHVGCANG DDAIYLLHGL DATA SEQUENCE SHFVPHFIAL SAASPYMQGA DTRFACARLN IFSAFPDNGP MPWVSNWQEF DATA SEQUENCE AGLFRRLSYT TMIDSIKDLH WDIRPSPAFG TVEVRVMDTP LTLDHAINMA DATA SEQUENCE GLIQATAHWL LTERPFKPQE QDYLLYKFNR FQACRYGLEG VLTDAYTGDR DATA SEQUENCE RRLADDTLRL LDNVTPSARK LGADSAIDAL RLQVKKGGNE AQYMREFIAD DATA SEQUENCE GGSLIGLVQK HCEIWA 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.417 176.300 0.196 0.000 2.045 5 D CA 0.000 54.140 54.000 0.234 0.000 0.868 5 D CB 0.000 40.893 40.800 0.155 0.000 0.688 6 F N 2.078 122.013 119.950 -0.024 0.000 2.423 6 F HA 0.245 4.772 4.527 0.000 0.000 0.356 6 F C 0.434 176.159 175.800 -0.125 0.000 1.170 6 F CA -0.259 57.619 58.000 -0.203 0.000 1.163 6 F CB -0.059 38.537 39.000 -0.673 0.000 1.318 6 F HN 0.322 nan 8.300 nan 0.000 0.569 7 H N 3.947 122.831 119.070 -0.309 0.000 3.094 7 H HA 0.119 4.675 4.556 0.000 0.000 0.320 7 H C -0.687 174.556 175.328 -0.143 0.000 1.000 7 H CA -0.022 55.903 56.048 -0.205 0.000 1.413 7 H CB 0.494 30.112 29.762 -0.239 0.000 1.405 7 H HN 0.339 nan 8.280 nan 0.000 0.586 8 V N 5.671 125.216 119.914 -0.615 0.000 2.572 8 V HA 0.113 4.233 4.120 0.000 0.000 0.291 8 V C 0.485 176.171 176.094 -0.681 0.000 1.039 8 V CA 0.342 62.364 62.300 -0.462 0.000 1.055 8 V CB 0.966 32.623 31.823 -0.276 0.000 0.969 8 V HN 0.858 nan 8.190 nan 0.000 0.482 9 S N 3.173 118.684 115.700 -0.314 0.000 2.566 9 S HA 0.381 4.851 4.470 0.000 0.000 0.298 9 S C -0.331 174.196 174.600 -0.122 0.000 1.083 9 S CA -0.739 57.351 58.200 -0.184 0.000 0.978 9 S CB 1.619 64.782 63.200 -0.061 0.000 1.073 9 S HN 0.803 nan 8.310 nan 0.000 0.491 10 E N 2.589 122.746 120.200 -0.072 0.000 2.351 10 E HA 0.115 4.465 4.350 0.000 0.000 0.266 10 E C -2.335 174.200 176.600 -0.108 0.000 1.031 10 E CA -1.580 54.781 56.400 -0.064 0.000 0.911 10 E CB 0.315 30.007 29.700 -0.013 0.000 0.986 10 E HN 0.185 nan 8.360 nan 0.000 0.446 11 P HA -0.143 nan 4.420 nan 0.000 0.261 11 P C -0.940 176.075 177.300 -0.474 0.000 1.173 11 P CA 0.860 63.616 63.100 -0.573 0.000 0.760 11 P CB 0.031 31.251 31.700 -0.800 0.000 0.783 12 Y N -0.984 119.371 120.300 0.092 0.000 4.729 12 Y HA -0.276 4.274 4.550 0.000 0.000 0.239 12 Y C 1.081 177.029 175.900 0.080 0.000 1.043 12 Y CA 0.237 58.399 58.100 0.103 0.000 2.045 12 Y CB -2.932 35.606 38.460 0.130 0.000 1.599 12 Y HN 0.324 nan 8.280 nan 0.000 0.655 13 T N -0.494 114.136 114.554 0.128 0.000 2.748 13 T HA 0.465 4.815 4.350 0.000 0.000 0.304 13 T C -0.182 174.590 174.700 0.121 0.000 1.041 13 T CA -0.481 61.683 62.100 0.107 0.000 1.033 13 T CB 1.967 70.879 68.868 0.073 0.000 0.995 13 T HN 0.172 nan 8.240 nan 0.000 0.536 14 L N 0.534 121.818 121.223 0.102 0.000 2.464 14 L HA 0.702 5.042 4.340 0.000 0.000 0.266 14 L C -0.106 176.819 176.870 0.092 0.000 0.965 14 L CA -0.273 54.629 54.840 0.104 0.000 0.833 14 L CB 1.736 43.847 42.059 0.087 0.000 1.296 14 L HN 1.091 nan 8.230 nan 0.000 0.405 15 G N 4.922 113.794 108.800 0.120 0.000 2.513 15 G HA2 0.719 4.679 3.960 0.000 0.000 0.317 15 G HA3 0.719 4.679 3.960 0.000 0.000 0.317 15 G C -1.315 173.675 174.900 0.149 0.000 1.277 15 G CA -0.366 44.795 45.100 0.102 0.000 0.955 15 G HN 0.467 nan 8.290 nan 0.000 0.484 16 I N 1.416 122.050 120.570 0.108 0.000 2.447 16 I HA 0.304 4.474 4.170 0.000 0.000 0.287 16 I C -0.525 175.646 176.117 0.091 0.000 1.023 16 I CA -0.593 60.768 61.300 0.102 0.000 1.083 16 I CB 2.390 40.431 38.000 0.069 0.000 1.245 16 I HN 0.418 nan 8.210 nan 0.000 0.434 17 E N 6.743 127.000 120.200 0.096 0.000 2.179 17 E HA 0.658 5.008 4.350 0.000 0.000 0.275 17 E C -1.155 175.440 176.600 -0.008 0.000 0.945 17 E CA -0.655 55.767 56.400 0.036 0.000 0.792 17 E CB 2.577 32.291 29.700 0.023 0.000 1.125 17 E HN 0.416 nan 8.360 nan 0.000 0.397 18 L N 2.940 124.164 121.223 0.001 0.000 2.446 18 L HA 0.305 4.645 4.340 0.000 0.000 0.268 18 L C -0.649 176.229 176.870 0.015 0.000 0.975 18 L CA -0.460 54.393 54.840 0.022 0.000 0.848 18 L CB 1.758 43.875 42.059 0.096 0.000 1.225 18 L HN 0.477 nan 8.230 nan 0.000 0.410 19 E N 4.378 124.578 120.200 -0.001 0.000 2.152 19 E HA 0.379 4.729 4.350 0.000 0.000 0.285 19 E C -0.580 176.103 176.600 0.138 0.000 1.043 19 E CA -0.346 56.093 56.400 0.066 0.000 0.839 19 E CB 1.244 30.970 29.700 0.042 0.000 1.069 19 E HN 0.325 nan 8.360 nan 0.000 0.399 20 M N 2.120 121.758 119.600 0.063 0.000 2.472 20 M HA 0.232 4.712 4.480 0.000 0.000 0.331 20 M C -0.150 176.023 176.300 -0.212 0.000 1.170 20 M CA -0.619 54.592 55.300 -0.148 0.000 1.009 20 M CB 1.679 34.119 32.600 -0.266 0.000 1.672 20 M HN 0.369 nan 8.290 nan 0.000 0.453 21 Q N 1.332 120.785 119.800 -0.579 0.000 2.267 21 Q HA 0.443 4.783 4.340 0.000 0.000 0.255 21 Q C -0.834 174.969 176.000 -0.329 0.000 0.923 21 Q CA -0.410 54.988 55.803 -0.675 0.000 0.925 21 Q CB 1.376 29.574 28.738 -0.900 0.000 1.195 21 Q HN 0.396 nan 8.270 nan 0.000 0.417 22 V N 4.741 124.556 119.914 -0.164 0.000 2.394 22 V HA 0.339 4.459 4.120 0.000 0.000 0.282 22 V C -0.097 175.944 176.094 -0.089 0.000 1.031 22 V CA -0.552 61.679 62.300 -0.115 0.000 0.881 22 V CB 0.990 32.773 31.823 -0.065 0.000 0.982 22 V HN 0.622 nan 8.190 nan 0.000 0.451 23 I N 3.641 124.167 120.570 -0.072 0.000 2.693 23 I HA 0.442 4.612 4.170 0.000 0.000 0.303 23 I C 0.048 176.122 176.117 -0.071 0.000 1.025 23 I CA -0.797 60.486 61.300 -0.029 0.000 1.086 23 I CB 1.980 40.022 38.000 0.070 0.000 1.268 23 I HN 0.492 nan 8.210 nan 0.000 0.440 24 N N 6.093 124.736 118.700 -0.095 0.000 2.699 24 N HA 0.278 5.018 4.740 0.000 0.000 0.232 24 N C -1.953 173.405 175.510 -0.253 0.000 1.027 24 N CA -1.724 51.231 53.050 -0.158 0.000 0.920 24 N CB 1.637 40.052 38.487 -0.120 0.000 1.148 24 N HN 0.199 nan 8.380 nan 0.000 0.509 25 P HA -0.131 nan 4.420 nan 0.000 0.218 25 P C -1.386 175.519 177.300 -0.658 0.000 1.147 25 P CA 1.085 63.831 63.100 -0.591 0.000 0.827 25 P CB -0.159 31.462 31.700 -0.132 0.000 0.778 26 P HA -0.094 nan 4.420 nan 0.000 0.208 26 P C 1.655 178.896 177.300 -0.099 0.000 1.200 26 P CA 2.048 65.070 63.100 -0.130 0.000 0.924 26 P CB -0.780 30.907 31.700 -0.021 0.000 0.774 27 G N -3.623 105.158 108.800 -0.032 0.000 2.986 27 G HA2 -0.063 3.897 3.960 0.000 0.000 0.213 27 G HA3 -0.063 3.897 3.960 0.000 0.000 0.213 27 G C -0.262 174.841 174.900 0.338 0.000 1.156 27 G CA -0.049 45.137 45.100 0.143 0.000 0.763 27 G HN 0.103 nan 8.290 nan 0.000 0.547 28 Y N 0.923 121.338 120.300 0.193 0.000 4.668 28 Y HA -0.239 4.311 4.550 0.000 0.000 0.234 28 Y C 1.199 177.252 175.900 0.256 0.000 1.056 28 Y CA 0.019 58.246 58.100 0.212 0.000 2.025 28 Y CB -2.307 36.282 38.460 0.216 0.000 1.613 28 Y HN 0.537 nan 8.280 nan 0.000 0.653 29 D N 0.400 120.966 120.400 0.276 0.000 2.372 29 D HA 0.170 4.810 4.640 0.000 0.000 0.243 29 D C 0.561 176.750 176.300 -0.184 0.000 1.297 29 D CA -0.393 53.603 54.000 -0.007 0.000 0.958 29 D CB 0.859 41.704 40.800 0.076 0.000 1.114 29 D HN 0.310 nan 8.370 nan 0.000 0.496 30 L N 0.429 121.417 121.223 -0.392 0.000 2.349 30 L HA 0.092 4.432 4.340 0.000 0.000 0.275 30 L C 1.147 177.943 176.870 -0.123 0.000 1.115 30 L CA -0.489 54.209 54.840 -0.236 0.000 0.820 30 L CB 1.259 43.186 42.059 -0.220 0.000 1.135 30 L HN 0.478 nan 8.230 nan 0.000 0.445 31 S N 2.400 118.044 115.700 -0.093 0.000 2.592 31 S HA 0.122 4.592 4.470 0.000 0.000 0.271 31 S C 0.496 175.055 174.600 -0.069 0.000 1.326 31 S CA -0.354 57.795 58.200 -0.086 0.000 1.024 31 S CB 1.346 64.488 63.200 -0.096 0.000 0.921 31 S HN 0.712 nan 8.310 nan 0.000 0.527 32 Q N 0.551 120.309 119.800 -0.070 0.000 2.402 32 Q HA 0.130 4.470 4.340 0.000 0.000 0.206 32 Q C -0.430 175.540 176.000 -0.050 0.000 0.919 32 Q CA 0.476 56.239 55.803 -0.067 0.000 0.923 32 Q CB 0.212 28.903 28.738 -0.079 0.000 1.048 32 Q HN 0.786 nan 8.270 nan 0.000 0.515 33 D N 0.619 120.990 120.400 -0.048 0.000 2.514 33 D HA 0.051 4.691 4.640 0.000 0.000 0.267 33 D C 0.136 176.423 176.300 -0.022 0.000 1.165 33 D CA 0.023 54.004 54.000 -0.032 0.000 0.958 33 D CB 1.088 41.868 40.800 -0.033 0.000 0.992 33 D HN 0.025 nan 8.370 nan 0.000 0.506 34 S N -0.400 115.292 115.700 -0.012 0.000 2.559 34 S HA -0.035 4.435 4.470 0.000 0.000 0.226 34 S C 1.529 176.129 174.600 -0.000 0.000 1.000 34 S CA -0.087 58.108 58.200 -0.009 0.000 0.948 34 S CB 0.209 63.408 63.200 -0.002 0.000 0.870 34 S HN 0.239 nan 8.310 nan 0.000 0.497 35 S N 0.840 116.541 115.700 0.002 0.000 2.503 35 S HA 0.010 4.480 4.470 0.000 0.000 0.215 35 S C 1.557 176.139 174.600 -0.030 0.000 1.003 35 S CA 0.620 58.815 58.200 -0.009 0.000 0.910 35 S CB -0.847 62.340 63.200 -0.022 0.000 0.790 35 S HN 0.537 nan 8.310 nan 0.000 0.514 36 T N 1.869 116.411 114.554 -0.020 0.000 3.023 36 T HA 0.169 4.519 4.350 0.000 0.000 0.266 36 T C 1.541 176.185 174.700 -0.095 0.000 1.093 36 T CA 0.674 62.765 62.100 -0.015 0.000 1.129 36 T CB -0.376 68.526 68.868 0.056 0.000 0.899 36 T HN 0.276 nan 8.240 nan 0.000 0.491 37 L N 1.003 122.161 121.223 -0.109 0.000 2.072 37 L HA 0.253 4.593 4.340 0.000 0.000 0.205 37 L C 2.130 178.928 176.870 -0.120 0.000 1.079 37 L CA 1.342 56.072 54.840 -0.182 0.000 0.752 37 L CB -0.557 41.439 42.059 -0.106 0.000 0.906 37 L HN 0.182 nan 8.230 nan 0.000 0.436 38 I N -0.266 120.267 120.570 -0.061 0.000 2.286 38 I HA -0.263 3.907 4.170 0.000 0.000 0.248 38 I C 1.588 177.682 176.117 -0.038 0.000 1.115 38 I CA 1.376 62.657 61.300 -0.031 0.000 1.392 38 I CB -0.336 37.664 38.000 -0.001 0.000 1.065 38 I HN 0.263 nan 8.210 nan 0.000 0.418 39 D N 0.548 120.918 120.400 -0.050 0.000 2.317 39 D HA -0.020 4.620 4.640 0.000 0.000 0.211 39 D C 2.102 178.376 176.300 -0.044 0.000 0.966 39 D CA 0.890 54.865 54.000 -0.042 0.000 0.876 39 D CB 0.021 40.797 40.800 -0.039 0.000 0.927 39 D HN 0.300 nan 8.370 nan 0.000 0.519 40 A N -0.100 122.673 122.820 -0.077 0.000 2.016 40 A HA -0.016 4.304 4.320 0.000 0.000 0.217 40 A C 2.106 179.660 177.584 -0.048 0.000 1.162 40 A CA 0.696 52.685 52.037 -0.079 0.000 0.662 40 A CB -0.030 18.864 19.000 -0.177 0.000 0.812 40 A HN 0.157 nan 8.150 nan 0.000 0.450 41 V N -0.623 119.266 119.914 -0.042 0.000 2.949 41 V HA -0.068 4.052 4.120 0.000 0.000 0.245 41 V C 2.199 178.294 176.094 0.002 0.000 1.086 41 V CA 1.332 63.623 62.300 -0.014 0.000 1.097 41 V CB -0.398 31.422 31.823 -0.005 0.000 0.762 41 V HN 0.443 nan 8.190 nan 0.000 0.470 42 K N 0.484 120.883 120.400 -0.002 0.000 2.034 42 K HA -0.203 4.117 4.320 0.000 0.000 0.214 42 K C -0.047 176.557 176.600 0.007 0.000 1.051 42 K CA 2.241 58.532 56.287 0.006 0.000 0.931 42 K CB -1.242 31.259 32.500 0.001 0.000 0.715 42 K HN 0.427 nan 8.250 nan 0.000 0.446 43 P HA -0.151 nan 4.420 nan 0.000 0.218 43 P C 0.246 177.552 177.300 0.009 0.000 1.148 43 P CA 1.321 64.424 63.100 0.005 0.000 0.822 43 P CB 0.026 31.728 31.700 0.004 0.000 0.784 44 Q N -0.795 119.012 119.800 0.013 0.000 2.291 44 Q HA 0.158 4.498 4.340 0.000 0.000 0.211 44 Q C 0.064 176.076 176.000 0.019 0.000 0.925 44 Q CA -0.032 55.782 55.803 0.018 0.000 0.949 44 Q CB -0.328 28.425 28.738 0.026 0.000 1.015 44 Q HN 0.322 nan 8.270 nan 0.000 0.477 45 L N 0.760 121.992 121.223 0.016 0.000 2.289 45 L HA 0.219 4.559 4.340 0.000 0.000 0.285 45 L C 1.044 177.920 176.870 0.011 0.000 1.049 45 L CA -0.226 54.624 54.840 0.017 0.000 0.804 45 L CB 1.420 43.491 42.059 0.020 0.000 1.195 45 L HN 0.190 nan 8.230 nan 0.000 0.428 46 T N -1.481 113.078 114.554 0.008 0.000 2.990 46 T HA 0.416 4.766 4.350 0.000 0.000 0.250 46 T C 0.363 175.066 174.700 0.004 0.000 1.041 46 T CA 0.132 62.234 62.100 0.003 0.000 1.010 46 T CB 0.590 69.457 68.868 -0.003 0.000 1.003 46 T HN 0.560 nan 8.240 nan 0.000 0.499 47 A N 0.153 122.977 122.820 0.008 0.000 2.480 47 A HA 0.749 5.069 4.320 0.000 0.000 0.289 47 A C 0.209 177.804 177.584 0.017 0.000 1.044 47 A CA -0.182 51.861 52.037 0.010 0.000 0.761 47 A CB 0.640 19.644 19.000 0.007 0.000 1.289 47 A HN 1.392 nan 8.150 nan 0.000 0.401 48 G N 1.438 110.250 108.800 0.020 0.000 2.612 48 G HA2 0.271 4.231 3.960 0.000 0.000 0.686 48 G HA3 0.271 4.231 3.960 0.000 0.000 0.686 48 G C -0.911 174.008 174.900 0.032 0.000 1.274 48 G CA -0.289 44.828 45.100 0.028 0.000 0.849 48 G HN 0.984 nan 8.290 nan 0.000 0.595 49 E N -0.968 119.255 120.200 0.038 0.000 2.263 49 E HA 0.756 5.106 4.350 0.000 0.000 0.264 49 E C -0.042 176.585 176.600 0.046 0.000 0.923 49 E CA -0.937 55.488 56.400 0.041 0.000 0.802 49 E CB 2.161 31.889 29.700 0.046 0.000 1.228 49 E HN 0.594 nan 8.360 nan 0.000 0.417 50 I N 0.896 121.494 120.570 0.046 0.000 2.533 50 I HA 0.451 4.621 4.170 0.000 0.000 0.290 50 I C -0.577 175.575 176.117 0.058 0.000 1.056 50 I CA -0.977 60.354 61.300 0.050 0.000 1.057 50 I CB 1.585 39.612 38.000 0.046 0.000 1.240 50 I HN 0.308 nan 8.210 nan 0.000 0.423 51 K N 3.120 123.562 120.400 0.069 0.000 2.395 51 K HA 0.553 4.873 4.320 0.000 0.000 0.245 51 K C -0.933 175.750 176.600 0.138 0.000 1.017 51 K CA -1.004 55.349 56.287 0.111 0.000 0.852 51 K CB 2.332 34.893 32.500 0.103 0.000 1.311 51 K HN 0.748 nan 8.250 nan 0.000 0.452 52 H N -1.568 117.504 119.070 0.003 0.000 2.499 52 H HA 0.408 4.964 4.556 0.000 0.000 0.352 52 H C -0.882 174.444 175.328 -0.003 0.000 1.237 52 H CA -0.699 55.348 56.048 -0.002 0.000 1.343 52 H CB 1.460 31.219 29.762 -0.006 0.000 1.578 52 H HN 0.381 nan 8.280 nan 0.000 0.577 53 D N 0.394 120.587 120.400 -0.345 0.000 2.726 53 D HA 0.169 4.809 4.640 0.000 0.000 0.241 53 D C 1.662 177.727 176.300 -0.392 0.000 1.150 53 D CA -0.648 53.090 54.000 -0.436 0.000 1.089 53 D CB 1.564 42.238 40.800 -0.210 0.000 1.260 53 D HN 0.512 nan 8.370 nan 0.000 0.637 54 I N 0.469 120.910 120.570 -0.215 0.000 2.286 54 I HA -0.125 4.045 4.170 0.000 0.000 0.245 54 I C 1.461 177.538 176.117 -0.068 0.000 1.104 54 I CA 1.068 62.300 61.300 -0.114 0.000 1.397 54 I CB -0.008 37.954 38.000 -0.064 0.000 1.072 54 I HN 0.355 nan 8.210 nan 0.000 0.417 55 T N -1.166 113.338 114.554 -0.084 0.000 2.922 55 T HA 0.205 4.555 4.350 0.000 0.000 0.285 55 T C 0.194 174.870 174.700 -0.040 0.000 1.005 55 T CA -0.616 61.438 62.100 -0.078 0.000 1.061 55 T CB 1.486 70.296 68.868 -0.096 0.000 1.007 55 T HN 0.164 nan 8.240 nan 0.000 0.502 56 E N 1.542 121.728 120.200 -0.023 0.000 2.947 56 E HA 0.201 4.551 4.350 0.000 0.000 0.229 56 E C 0.292 176.893 176.600 0.002 0.000 1.158 56 E CA -0.383 56.023 56.400 0.010 0.000 1.441 56 E CB 0.159 29.873 29.700 0.023 0.000 1.414 56 E HN 0.798 nan 8.360 nan 0.000 0.432 57 S N -0.265 115.446 115.700 0.018 0.000 2.629 57 S HA 0.251 4.721 4.470 0.000 0.000 0.236 57 S C 0.407 175.100 174.600 0.155 0.000 1.010 57 S CA -0.429 57.804 58.200 0.055 0.000 0.981 57 S CB 0.327 63.566 63.200 0.065 0.000 0.919 57 S HN 0.249 nan 8.310 nan 0.000 0.514 58 M N 1.682 121.359 119.600 0.129 0.000 2.464 58 M HA 0.639 5.119 4.480 0.000 0.000 0.308 58 M C -2.295 174.053 176.300 0.079 0.000 1.127 58 M CA -1.175 54.237 55.300 0.187 0.000 0.913 58 M CB 2.233 34.903 32.600 0.116 0.000 1.689 58 M HN 0.244 nan 8.290 nan 0.000 0.445 59 L N 4.059 125.321 121.223 0.065 0.000 2.388 59 L HA 0.434 4.774 4.340 0.000 0.000 0.267 59 L C -0.814 176.077 176.870 0.035 0.000 0.995 59 L CA 0.004 54.862 54.840 0.031 0.000 0.864 59 L CB 1.340 43.394 42.059 -0.008 0.000 1.216 59 L HN 0.646 nan 8.230 nan 0.000 0.430 60 E N 5.705 125.924 120.200 0.033 0.000 2.257 60 E HA 0.294 4.644 4.350 0.000 0.000 0.278 60 E C -0.948 175.676 176.600 0.041 0.000 1.049 60 E CA -0.055 56.358 56.400 0.023 0.000 0.876 60 E CB 0.821 30.524 29.700 0.005 0.000 1.035 60 E HN 0.668 nan 8.360 nan 0.000 0.419 61 M N 1.377 121.007 119.600 0.051 0.000 2.321 61 M HA 0.700 5.180 4.480 0.000 0.000 0.315 61 M C -0.796 175.538 176.300 0.057 0.000 1.052 61 M CA -0.983 54.357 55.300 0.066 0.000 0.936 61 M CB 2.185 34.846 32.600 0.102 0.000 1.639 61 M HN 0.219 nan 8.290 nan 0.000 0.433 62 A N 1.889 124.740 122.820 0.051 0.000 2.374 62 A HA 0.772 5.092 4.320 0.000 0.000 0.305 62 A C 0.095 177.705 177.584 0.044 0.000 1.053 62 A CA -0.686 51.378 52.037 0.045 0.000 0.726 62 A CB 1.185 20.206 19.000 0.035 0.000 1.229 62 A HN 0.934 nan 8.150 nan 0.000 0.431 63 T N 0.556 115.135 114.554 0.043 0.000 2.802 63 T HA 0.513 4.863 4.350 0.000 0.000 0.305 63 T C 0.910 175.631 174.700 0.033 0.000 1.053 63 T CA 0.259 62.381 62.100 0.037 0.000 1.058 63 T CB 0.779 69.669 68.868 0.038 0.000 0.988 63 T HN 1.240 nan 8.240 nan 0.000 0.539 64 G N -0.171 108.648 108.800 0.032 0.000 2.531 64 G HA2 0.466 4.426 3.960 0.000 0.000 0.253 64 G HA3 0.466 4.426 3.960 0.000 0.000 0.253 64 G C -0.396 174.525 174.900 0.035 0.000 1.439 64 G CA -0.890 44.230 45.100 0.034 0.000 1.056 64 G HN 0.871 nan 8.290 nan 0.000 0.555 65 V N 0.173 120.109 119.914 0.037 0.000 2.421 65 V HA 0.215 4.335 4.120 0.000 0.000 0.271 65 V C 0.217 176.334 176.094 0.038 0.000 1.031 65 V CA -0.457 61.869 62.300 0.043 0.000 1.032 65 V CB -0.569 31.281 31.823 0.045 0.000 1.009 65 V HN 0.620 nan 8.190 nan 0.000 0.477 66 C N 5.531 124.858 119.300 0.044 0.000 2.423 66 C HA 0.586 5.046 4.460 0.000 0.000 0.378 66 C C 1.574 176.594 174.990 0.050 0.000 1.244 66 C CA -0.758 58.285 59.018 0.040 0.000 1.978 66 C CB 1.792 29.555 27.740 0.038 0.000 2.252 66 C HN 0.975 nan 8.230 nan 0.000 0.526 67 R N 0.421 120.948 120.500 0.044 0.000 2.394 67 R HA 0.208 4.548 4.340 0.000 0.000 0.220 67 R C -0.667 175.664 176.300 0.052 0.000 0.887 67 R CA 0.465 56.597 56.100 0.053 0.000 1.034 67 R CB 0.252 30.578 30.300 0.043 0.000 1.179 67 R HN 0.923 nan 8.270 nan 0.000 0.561 68 D N 0.322 120.744 120.400 0.038 0.000 2.692 68 D HA 0.026 4.666 4.640 0.000 0.000 0.303 68 D C 1.023 177.335 176.300 0.021 0.000 1.278 68 D CA -0.574 53.443 54.000 0.028 0.000 0.852 68 D CB 0.361 41.170 40.800 0.014 0.000 1.375 68 D HN 0.034 nan 8.370 nan 0.000 0.453 69 I N -2.534 118.044 120.570 0.013 0.000 2.830 69 I HA -0.036 4.134 4.170 0.000 0.000 0.263 69 I C 0.803 176.921 176.117 0.001 0.000 1.230 69 I CA 0.967 62.273 61.300 0.009 0.000 1.480 69 I CB -0.244 37.759 38.000 0.005 0.000 1.095 69 I HN 0.031 nan 8.210 nan 0.000 0.455 70 D N 1.158 121.557 120.400 -0.001 0.000 2.123 70 D HA -0.200 4.440 4.640 0.000 0.000 0.200 70 D C 2.142 178.439 176.300 -0.005 0.000 0.976 70 D CA 1.318 55.314 54.000 -0.007 0.000 0.831 70 D CB -0.175 40.620 40.800 -0.008 0.000 0.974 70 D HN 0.567 nan 8.370 nan 0.000 0.469 71 Q N 0.460 120.261 119.800 0.002 0.000 2.084 71 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 71 Q C 2.044 178.047 176.000 0.006 0.000 0.978 71 Q CA 1.546 57.351 55.803 0.004 0.000 0.844 71 Q CB -0.012 28.733 28.738 0.012 0.000 0.898 71 Q HN 0.169 nan 8.270 nan 0.000 0.426 72 A N 0.809 123.636 122.820 0.011 0.000 1.877 72 A HA -0.153 4.167 4.320 0.000 0.000 0.216 72 A C 2.304 179.889 177.584 0.001 0.000 1.186 72 A CA 1.762 53.807 52.037 0.013 0.000 0.620 72 A CB -1.102 17.911 19.000 0.022 0.000 0.822 72 A HN 0.565 nan 8.150 nan 0.000 0.443 73 A N -0.076 122.739 122.820 -0.008 0.000 1.883 73 A HA 0.077 4.397 4.320 0.000 0.000 0.217 73 A C 2.538 180.104 177.584 -0.030 0.000 1.186 73 A CA 2.441 54.464 52.037 -0.024 0.000 0.624 73 A CB -1.138 17.845 19.000 -0.029 0.000 0.822 73 A HN 1.138 nan 8.150 nan 0.000 0.444 74 A N -0.437 122.369 122.820 -0.023 0.000 1.883 74 A HA -0.242 4.078 4.320 0.000 0.000 0.217 74 A C 2.143 179.715 177.584 -0.021 0.000 1.186 74 A CA 1.740 53.762 52.037 -0.025 0.000 0.624 74 A CB -0.667 18.321 19.000 -0.020 0.000 0.822 74 A HN 0.702 nan 8.150 nan 0.000 0.444 75 Q N -0.419 119.375 119.800 -0.010 0.000 2.119 75 Q HA -0.033 4.307 4.340 0.000 0.000 0.201 75 Q C 2.088 178.088 176.000 0.000 0.000 0.972 75 Q CA 1.251 57.054 55.803 -0.001 0.000 0.847 75 Q CB -0.351 28.393 28.738 0.010 0.000 0.903 75 Q HN 0.652 nan 8.270 nan 0.000 0.433 76 L N 0.530 121.749 121.223 -0.006 0.000 2.093 76 L HA -0.136 4.204 4.340 0.000 0.000 0.208 76 L C 2.424 179.264 176.870 -0.050 0.000 1.085 76 L CA 0.753 55.585 54.840 -0.013 0.000 0.755 76 L CB -0.287 41.762 42.059 -0.018 0.000 0.904 76 L HN 0.156 nan 8.230 nan 0.000 0.435 77 S N 0.056 115.721 115.700 -0.060 0.000 2.368 77 S HA -0.157 4.313 4.470 0.000 0.000 0.225 77 S C 2.174 176.759 174.600 -0.025 0.000 1.030 77 S CA 1.243 59.401 58.200 -0.069 0.000 0.999 77 S CB -0.219 62.943 63.200 -0.064 0.000 0.844 77 S HN 0.507 nan 8.310 nan 0.000 0.459 78 A N 1.596 124.408 122.820 -0.014 0.000 1.897 78 A HA 0.038 4.358 4.320 0.000 0.000 0.215 78 A C 2.146 179.754 177.584 0.040 0.000 1.181 78 A CA 1.162 53.200 52.037 0.002 0.000 0.620 78 A CB -0.567 18.426 19.000 -0.012 0.000 0.821 78 A HN 0.435 nan 8.150 nan 0.000 0.443 79 M N -0.664 118.958 119.600 0.037 0.000 2.159 79 M HA -0.228 4.252 4.480 0.000 0.000 0.263 79 M C 2.512 178.862 176.300 0.083 0.000 1.063 79 M CA 2.111 57.448 55.300 0.061 0.000 1.110 79 M CB -0.460 32.179 32.600 0.066 0.000 1.374 79 M HN 0.757 nan 8.290 nan 0.000 0.411 80 Q N -0.248 119.581 119.800 0.047 0.000 2.083 80 Q HA -0.216 4.124 4.340 0.000 0.000 0.198 80 Q C 2.114 178.143 176.000 0.048 0.000 0.969 80 Q CA 1.334 57.145 55.803 0.014 0.000 0.838 80 Q CB -0.412 28.187 28.738 -0.233 0.000 0.900 80 Q HN 0.532 nan 8.270 nan 0.000 0.436 81 H N -0.033 119.017 119.070 -0.035 0.000 2.353 81 H HA -0.112 4.444 4.556 -0.000 0.000 0.298 81 H C 1.813 177.151 175.328 0.016 0.000 1.103 81 H CA 1.960 57.999 56.048 -0.015 0.000 1.293 81 H CB 0.334 30.082 29.762 -0.023 0.000 1.372 81 H HN 0.272 nan 8.280 nan 0.000 0.501 82 V N 1.236 121.235 119.914 0.141 0.000 2.591 82 V HA -0.176 3.944 4.120 0.000 0.000 0.249 82 V C 2.668 178.793 176.094 0.053 0.000 1.053 82 V CA 1.311 63.668 62.300 0.095 0.000 1.068 82 V CB -0.268 31.611 31.823 0.092 0.000 0.689 82 V HN 0.359 nan 8.190 nan 0.000 0.462 83 I N -0.808 119.810 120.570 0.079 0.000 2.584 83 I HA -0.097 4.073 4.170 0.000 0.000 0.255 83 I C 2.218 178.390 176.117 0.092 0.000 1.145 83 I CA 1.093 62.447 61.300 0.090 0.000 1.462 83 I CB -0.343 37.752 38.000 0.158 0.000 1.102 83 I HN 0.216 nan 8.210 nan 0.000 0.433 84 L N 0.442 121.721 121.223 0.094 0.000 2.201 84 L HA -0.179 4.161 4.340 0.000 0.000 0.212 84 L C 2.558 179.432 176.870 0.005 0.000 1.105 84 L CA 1.412 56.294 54.840 0.070 0.000 0.775 84 L CB -0.350 41.726 42.059 0.028 0.000 0.913 84 L HN 0.361 nan 8.230 nan 0.000 0.440 85 Q N -0.820 118.959 119.800 -0.036 0.000 2.163 85 Q HA -0.027 4.313 4.340 0.000 0.000 0.198 85 Q C 2.286 178.293 176.000 0.012 0.000 0.954 85 Q CA 1.084 56.868 55.803 -0.032 0.000 0.851 85 Q CB 0.065 28.769 28.738 -0.057 0.000 0.928 85 Q HN 0.498 nan 8.270 nan 0.000 0.459 86 A N 0.068 122.891 122.820 0.006 0.000 2.066 86 A HA 0.062 4.382 4.320 0.000 0.000 0.218 86 A C 1.934 179.513 177.584 -0.009 0.000 1.157 86 A CA 1.302 53.326 52.037 -0.022 0.000 0.670 86 A CB -0.213 18.747 19.000 -0.066 0.000 0.804 86 A HN 0.375 nan 8.150 nan 0.000 0.453 87 A N -1.301 121.538 122.820 0.031 0.000 2.014 87 A HA 0.165 4.485 4.320 0.000 0.000 0.210 87 A C 2.291 179.936 177.584 0.101 0.000 1.188 87 A CA 1.353 53.428 52.037 0.064 0.000 0.731 87 A CB -0.661 18.366 19.000 0.044 0.000 0.858 87 A HN 0.478 nan 8.150 nan 0.000 0.464 88 S N 0.888 116.636 115.700 0.079 0.000 2.353 88 S HA -0.234 4.236 4.470 0.000 0.000 0.222 88 S C 1.907 176.561 174.600 0.091 0.000 1.035 88 S CA 1.816 60.060 58.200 0.074 0.000 1.025 88 S CB -0.449 62.778 63.200 0.044 0.000 0.902 88 S HN 0.744 nan 8.310 nan 0.000 0.440 89 E N -1.356 118.906 120.200 0.103 0.000 2.511 89 E HA -0.096 4.254 4.350 0.000 0.000 0.196 89 E C 1.075 177.765 176.600 0.150 0.000 1.066 89 E CA 0.715 57.180 56.400 0.108 0.000 0.871 89 E CB -0.302 29.461 29.700 0.106 0.000 0.863 89 E HN 0.686 nan 8.360 nan 0.000 0.520 90 H N -0.370 118.730 119.070 0.050 0.000 2.785 90 H HA 0.008 4.564 4.556 0.000 0.000 0.268 90 H C -0.462 174.940 175.328 0.123 0.000 1.153 90 H CA 0.225 56.310 56.048 0.061 0.000 1.111 90 H CB 0.385 30.163 29.762 0.027 0.000 1.633 90 H HN 0.307 nan 8.280 nan 0.000 0.576 91 H N -0.053 119.046 119.070 0.048 0.000 2.933 91 H HA -0.140 4.416 4.556 -0.000 0.000 0.301 91 H C -1.473 173.858 175.328 0.005 0.000 1.280 91 H CA 0.737 56.786 56.048 0.002 0.000 1.155 91 H CB -2.064 27.677 29.762 -0.034 0.000 1.379 91 H HN 0.359 nan 8.280 nan 0.000 0.419 92 L N -1.140 120.161 121.223 0.130 0.000 2.479 92 L HA 0.778 5.118 4.340 0.000 0.000 0.255 92 L C 0.852 177.750 176.870 0.047 0.000 1.026 92 L CA -0.671 54.185 54.840 0.026 0.000 0.842 92 L CB 2.469 44.514 42.059 -0.022 0.000 1.444 92 L HN 0.300 nan 8.230 nan 0.000 0.409 93 G N 0.688 109.502 108.800 0.023 0.000 2.569 93 G HA2 0.827 4.787 3.960 0.000 0.000 0.300 93 G HA3 0.827 4.787 3.960 0.000 0.000 0.300 93 G C -1.441 173.438 174.900 -0.035 0.000 1.269 93 G CA -0.463 44.662 45.100 0.043 0.000 0.959 93 G HN 0.256 nan 8.290 nan 0.000 0.478 94 I N 0.194 120.715 120.570 -0.081 0.000 2.582 94 I HA 0.533 4.703 4.170 0.000 0.000 0.292 94 I C 0.035 175.877 176.117 -0.458 0.000 1.066 94 I CA -0.598 60.510 61.300 -0.320 0.000 1.053 94 I CB 1.000 38.736 38.000 -0.440 0.000 1.241 94 I HN 0.865 nan 8.210 nan 0.000 0.421 95 C N 2.404 121.351 119.300 -0.589 0.000 3.318 95 C HA 0.965 5.425 4.460 0.000 0.000 0.322 95 C C 0.262 174.887 174.990 -0.608 0.000 1.398 95 C CA -0.408 58.270 59.018 -0.567 0.000 1.339 95 C CB 1.246 28.853 27.740 -0.221 0.000 1.668 95 C HN 0.909 nan 8.230 nan 0.000 0.462 96 G N -0.661 107.885 108.800 -0.423 0.000 2.702 96 G HA2 0.913 4.873 3.960 0.000 0.000 0.254 96 G HA3 0.913 4.873 3.960 0.000 0.000 0.254 96 G C 0.250 175.016 174.900 -0.223 0.000 1.380 96 G CA -0.135 44.798 45.100 -0.278 0.000 1.042 96 G HN 2.735 nan 8.290 nan 0.000 0.557 97 G N -2.952 105.774 108.800 -0.123 0.000 2.674 97 G HA2 0.412 4.372 3.960 0.000 0.000 0.686 97 G HA3 0.412 4.372 3.960 0.000 0.000 0.686 97 G C 0.661 175.575 174.900 0.024 0.000 1.195 97 G CA 0.087 45.150 45.100 -0.062 0.000 0.776 97 G HN 1.617 nan 8.290 nan 0.000 0.654 98 G N -0.830 108.027 108.800 0.095 0.000 2.880 98 G HA2 0.471 4.431 3.960 0.000 0.000 0.209 98 G HA3 0.471 4.431 3.960 0.000 0.000 0.209 98 G C 0.678 175.733 174.900 0.259 0.000 1.157 98 G CA 1.670 46.878 45.100 0.180 0.000 0.779 98 G HN 1.248 nan 8.290 nan 0.000 0.539 99 T N -1.053 113.630 114.554 0.216 0.000 2.889 99 T HA 0.320 4.670 4.350 0.000 0.000 0.315 99 T C -1.751 173.048 174.700 0.164 0.000 1.291 99 T CA -0.645 61.592 62.100 0.229 0.000 1.028 99 T CB 1.534 70.479 68.868 0.128 0.000 1.235 99 T HN 0.124 nan 8.240 nan 0.000 0.491 100 H N 3.766 122.893 119.070 0.096 0.000 2.620 100 H HA 0.270 4.826 4.556 0.000 0.000 0.313 100 H C -1.926 173.368 175.328 -0.058 0.000 1.075 100 H CA -1.793 54.219 56.048 -0.061 0.000 1.397 100 H CB 1.932 31.625 29.762 -0.115 0.000 1.446 100 H HN 0.305 nan 8.280 nan 0.000 0.493 101 P HA -0.142 nan 4.420 nan 0.000 0.219 101 P C 0.233 177.631 177.300 0.164 0.000 1.146 101 P CA 1.353 64.432 63.100 -0.035 0.000 0.808 101 P CB -0.009 31.599 31.700 -0.153 0.000 0.779 102 F N -4.703 115.387 119.950 0.233 0.000 2.974 102 F HA 0.434 4.961 4.527 -0.000 0.000 0.357 102 F C 0.221 176.166 175.800 0.242 0.000 1.114 102 F CA -0.963 57.167 58.000 0.216 0.000 1.099 102 F CB -0.952 38.127 39.000 0.132 0.000 1.205 102 F HN -0.360 nan 8.300 nan 0.000 0.535 103 Q N 3.430 123.308 119.800 0.130 0.000 2.315 103 Q HA 0.264 4.604 4.340 0.000 0.000 0.289 103 Q C -0.766 175.308 176.000 0.124 0.000 1.044 103 Q CA 0.974 56.772 55.803 -0.009 0.000 0.920 103 Q CB 0.680 29.258 28.738 -0.267 0.000 1.214 103 Q HN 0.501 nan 8.270 nan 0.000 0.392 104 K N 3.363 123.853 120.400 0.149 0.000 2.281 104 K HA 0.639 4.959 4.320 0.000 0.000 0.242 104 K C -1.134 175.601 176.600 0.225 0.000 0.971 104 K CA -0.751 55.623 56.287 0.144 0.000 0.834 104 K CB 1.605 34.182 32.500 0.129 0.000 1.181 104 K HN 0.814 nan 8.250 nan 0.000 0.435 119 T N 2.242 116.855 114.554 0.098 0.000 3.065 119 T HA 0.152 4.502 4.350 0.000 0.000 0.252 119 T C 1.233 176.040 174.700 0.178 0.000 1.099 119 T CA 0.925 63.115 62.100 0.151 0.000 1.063 119 T CB -0.064 68.925 68.868 0.201 0.000 0.948 119 T HN 0.229 nan 8.240 nan 0.000 0.506 120 L N 0.314 121.622 121.223 0.142 0.000 2.610 120 L HA 0.291 4.631 4.340 0.000 0.000 0.232 120 L C 1.776 178.698 176.870 0.087 0.000 1.149 120 L CA 1.233 56.160 54.840 0.143 0.000 0.872 120 L CB -1.266 40.887 42.059 0.157 0.000 0.992 120 L HN 0.267 nan 8.230 nan 0.000 0.447 121 E N 0.894 121.123 120.200 0.047 0.000 2.033 121 E HA -0.207 4.143 4.350 0.000 0.000 0.189 121 E C 1.521 178.078 176.600 -0.072 0.000 0.979 121 E CA 0.743 57.142 56.400 -0.002 0.000 0.802 121 E CB 0.055 29.749 29.700 -0.010 0.000 0.763 121 E HN 0.577 nan 8.360 nan 0.000 0.449 122 N N -0.642 117.974 118.700 -0.139 0.000 2.166 122 N HA -0.119 4.621 4.740 0.000 0.000 0.186 122 N C 1.093 176.195 175.510 -0.679 0.000 1.019 122 N CA 1.141 53.928 53.050 -0.438 0.000 0.856 122 N CB 0.010 38.150 38.487 -0.578 0.000 0.993 122 N HN 0.167 nan 8.380 nan 0.000 0.426 123 F N -0.710 119.193 119.950 -0.079 0.000 2.767 123 F HA 0.300 4.827 4.527 0.000 0.000 0.323 123 F C 1.635 177.391 175.800 -0.073 0.000 1.091 123 F CA 0.232 58.144 58.000 -0.147 0.000 1.192 123 F CB 0.154 39.004 39.000 -0.250 0.000 1.056 123 F HN -0.045 nan 8.300 nan 0.000 0.571 124 G N 1.853 110.736 108.800 0.138 0.000 2.611 124 G HA2 -0.462 3.498 3.960 0.000 0.000 0.301 124 G HA3 -0.462 3.498 3.960 0.000 0.000 0.301 124 G C 1.008 176.010 174.900 0.169 0.000 1.233 124 G CA 0.862 46.060 45.100 0.162 0.000 0.993 124 G HN 0.568 nan 8.290 nan 0.000 0.553 125 Y N 0.551 120.860 120.300 0.015 0.000 2.569 125 Y HA 0.355 4.905 4.550 -0.000 0.000 0.293 125 Y C 2.535 178.422 175.900 -0.023 0.000 1.144 125 Y CA 1.337 59.416 58.100 -0.035 0.000 1.321 125 Y CB -0.260 38.162 38.460 -0.063 0.000 0.982 125 Y HN 0.334 nan 8.280 nan 0.000 0.558 126 L N 0.791 121.711 121.223 -0.505 0.000 2.156 126 L HA -0.080 4.260 4.340 0.000 0.000 0.208 126 L C 2.202 178.974 176.870 -0.163 0.000 1.095 126 L CA 1.362 55.921 54.840 -0.468 0.000 0.770 126 L CB -0.306 41.572 42.059 -0.301 0.000 0.914 126 L HN 0.504 nan 8.230 nan 0.000 0.439 127 I N -3.811 116.742 120.570 -0.028 0.000 3.603 127 I HA -0.030 4.140 4.170 0.000 0.000 0.297 127 I C 1.144 177.317 176.117 0.093 0.000 1.269 127 I CA 0.410 61.732 61.300 0.037 0.000 1.361 127 I CB -0.193 37.874 38.000 0.111 0.000 1.063 127 I HN 0.039 nan 8.210 nan 0.000 0.448 128 Q N 2.358 122.188 119.800 0.050 0.000 2.945 128 Q HA 0.235 4.575 4.340 0.000 0.000 0.323 128 Q C -0.229 175.575 176.000 -0.327 0.000 1.188 128 Q CA -0.051 55.731 55.803 -0.034 0.000 0.929 128 Q CB 0.076 28.690 28.738 -0.206 0.000 1.531 128 Q HN 0.541 nan 8.270 nan 0.000 0.444 129 Q N -0.250 119.467 119.800 -0.138 0.000 2.962 129 Q HA 0.563 4.903 4.340 0.000 0.000 0.282 129 Q C -0.494 175.473 176.000 -0.056 0.000 1.058 129 Q CA -0.910 54.795 55.803 -0.164 0.000 0.854 129 Q CB 0.656 29.287 28.738 -0.179 0.000 1.441 129 Q HN 0.389 nan 8.270 nan 0.000 0.497 130 A N 1.147 123.929 122.820 -0.064 0.000 2.567 130 A HA 0.195 4.515 4.320 0.000 0.000 0.240 130 A C 0.396 177.938 177.584 -0.070 0.000 1.053 130 A CA 0.623 52.650 52.037 -0.016 0.000 0.755 130 A CB -0.510 18.477 19.000 -0.020 0.000 0.978 130 A HN 0.520 nan 8.150 nan 0.000 0.507 131 T N 1.205 115.731 114.554 -0.046 0.000 2.817 131 T HA 0.514 4.864 4.350 0.000 0.000 0.293 131 T C -0.065 174.391 174.700 -0.407 0.000 0.964 131 T CA 0.018 61.990 62.100 -0.213 0.000 1.085 131 T CB 0.166 68.921 68.868 -0.188 0.000 0.921 131 T HN 1.605 nan 8.240 nan 0.000 0.502 132 V N 1.821 121.405 119.914 -0.549 0.000 2.919 132 V HA 0.869 4.989 4.120 0.000 0.000 0.316 132 V C -1.105 174.583 176.094 -0.676 0.000 1.077 132 V CA -1.424 60.604 62.300 -0.453 0.000 0.977 132 V CB 1.372 33.091 31.823 -0.174 0.000 1.039 132 V HN 0.844 nan 8.190 nan 0.000 0.441 133 F N 1.234 121.189 119.950 0.009 0.000 2.507 133 F HA 0.870 5.397 4.527 -0.000 0.000 0.328 133 F C 0.707 176.504 175.800 -0.005 0.000 1.136 133 F CA -0.292 57.699 58.000 -0.015 0.000 0.930 133 F CB 2.198 41.177 39.000 -0.034 0.000 1.166 133 F HN 0.939 nan 8.300 nan 0.000 0.436 134 G N 1.833 110.677 108.800 0.073 0.000 2.519 134 G HA2 0.511 4.471 3.960 0.000 0.000 0.307 134 G HA3 0.511 4.471 3.960 0.000 0.000 0.307 134 G C -2.105 172.753 174.900 -0.070 0.000 1.266 134 G CA -0.770 44.350 45.100 0.034 0.000 0.970 134 G HN 0.547 nan 8.290 nan 0.000 0.481 135 Q N 0.353 120.166 119.800 0.021 0.000 2.278 135 Q HA 0.371 4.711 4.340 0.000 0.000 0.257 135 Q C -0.850 175.232 176.000 0.137 0.000 0.928 135 Q CA -0.506 55.308 55.803 0.018 0.000 0.932 135 Q CB 0.650 29.426 28.738 0.063 0.000 1.221 135 Q HN 0.737 nan 8.270 nan 0.000 0.434 136 H N 1.397 120.462 119.070 -0.009 0.000 2.529 136 H HA 0.574 5.130 4.556 -0.000 0.000 0.348 136 H C -1.004 174.295 175.328 -0.049 0.000 1.152 136 H CA -1.292 54.721 56.048 -0.060 0.000 1.202 136 H CB 2.071 31.772 29.762 -0.101 0.000 1.562 136 H HN 0.328 nan 8.280 nan 0.000 0.515 137 V N 3.649 123.576 119.914 0.022 0.000 2.482 137 V HA 0.093 4.213 4.120 0.000 0.000 0.295 137 V C -0.237 175.826 176.094 -0.053 0.000 1.026 137 V CA -0.821 61.487 62.300 0.014 0.000 0.856 137 V CB 1.163 32.978 31.823 -0.013 0.000 1.001 137 V HN 0.815 nan 8.190 nan 0.000 0.424 138 H N 3.055 122.133 119.070 0.013 0.000 2.548 138 H HA 0.599 5.155 4.556 0.000 0.000 0.331 138 H C -0.781 174.576 175.328 0.048 0.000 1.093 138 H CA -0.279 55.777 56.048 0.013 0.000 1.367 138 H CB 2.335 32.084 29.762 -0.022 0.000 1.455 138 H HN 0.394 nan 8.280 nan 0.000 0.519 139 V N 2.105 122.125 119.914 0.176 0.000 2.588 139 V HA 0.321 4.441 4.120 0.000 0.000 0.304 139 V C 0.677 176.862 176.094 0.153 0.000 1.042 139 V CA -1.001 61.397 62.300 0.164 0.000 0.877 139 V CB 1.889 33.814 31.823 0.170 0.000 0.996 139 V HN 0.948 nan 8.190 nan 0.000 0.425 140 G N 2.196 111.066 108.800 0.117 0.000 2.415 140 G HA2 0.481 4.441 3.960 0.000 0.000 0.269 140 G HA3 0.481 4.441 3.960 0.000 0.000 0.269 140 G C -0.431 174.474 174.900 0.009 0.000 1.209 140 G CA -0.127 45.018 45.100 0.075 0.000 0.835 140 G HN 0.800 nan 8.290 nan 0.000 0.534 141 C N 0.609 119.949 119.300 0.066 0.000 2.779 141 C HA 0.727 5.187 4.460 0.000 0.000 0.314 141 C C 1.568 176.557 174.990 -0.002 0.000 1.231 141 C CA 0.175 59.193 59.018 0.000 0.000 1.652 141 C CB 1.513 29.273 27.740 0.032 0.000 2.198 141 C HN 0.987 nan 8.230 nan 0.000 0.483 142 A N 2.589 125.341 122.820 -0.113 0.000 1.824 142 A HA 0.047 4.367 4.320 0.000 0.000 0.215 142 A C 0.750 178.268 177.584 -0.110 0.000 1.244 142 A CA 1.289 53.257 52.037 -0.116 0.000 0.604 142 A CB -0.840 18.077 19.000 -0.139 0.000 0.900 142 A HN 1.006 nan 8.150 nan 0.000 0.455 143 N N -1.898 116.679 118.700 -0.206 0.000 2.447 143 N HA 0.456 5.196 4.740 0.000 0.000 0.271 143 N C 0.557 175.615 175.510 -0.753 0.000 1.226 143 N CA 0.032 52.885 53.050 -0.329 0.000 0.980 143 N CB 0.834 39.165 38.487 -0.261 0.000 1.206 143 N HN 0.141 nan 8.380 nan 0.000 0.558 144 G N -1.541 106.570 108.800 -1.148 0.000 3.284 144 G HA2 0.000 3.960 3.960 0.000 0.000 0.236 144 G HA3 0.000 3.960 3.960 0.000 0.000 0.236 144 G C 0.024 174.359 174.900 -0.941 0.000 1.158 144 G CA -0.115 43.759 45.100 -2.044 0.000 0.774 144 G HN 0.561 nan 8.290 nan 0.000 0.545 145 D N 0.156 120.268 120.400 -0.479 0.000 2.277 145 D HA 0.026 4.666 4.640 0.000 0.000 0.209 145 D C 1.646 177.858 176.300 -0.146 0.000 0.970 145 D CA 0.210 54.107 54.000 -0.171 0.000 0.874 145 D CB 0.275 41.023 40.800 -0.086 0.000 0.982 145 D HN 0.002 nan 8.370 nan 0.000 0.504 146 D N 0.212 120.478 120.400 -0.223 0.000 2.219 146 D HA -0.055 4.585 4.640 0.000 0.000 0.205 146 D C 1.900 178.143 176.300 -0.094 0.000 0.970 146 D CA 0.741 54.664 54.000 -0.128 0.000 0.851 146 D CB -0.054 40.648 40.800 -0.162 0.000 0.943 146 D HN 0.143 nan 8.370 nan 0.000 0.488 147 A N 0.995 123.652 122.820 -0.272 0.000 1.873 147 A HA -0.139 4.181 4.320 0.000 0.000 0.215 147 A C 2.102 179.610 177.584 -0.126 0.000 1.186 147 A CA 0.791 52.712 52.037 -0.194 0.000 0.616 147 A CB -0.417 18.352 19.000 -0.384 0.000 0.823 147 A HN 0.098 nan 8.150 nan 0.000 0.442 148 I N -1.470 119.012 120.570 -0.147 0.000 2.226 148 I HA -0.224 3.946 4.170 0.000 0.000 0.245 148 I C 2.373 178.362 176.117 -0.215 0.000 1.100 148 I CA 1.468 62.634 61.300 -0.224 0.000 1.374 148 I CB -1.645 36.273 38.000 -0.138 0.000 1.057 148 I HN 0.567 nan 8.210 nan 0.000 0.413 149 Y N 1.234 121.480 120.300 -0.090 0.000 2.242 149 Y HA -0.233 4.317 4.550 -0.000 0.000 0.291 149 Y C 2.496 178.437 175.900 0.067 0.000 1.137 149 Y CA 1.352 59.478 58.100 0.043 0.000 1.181 149 Y CB -0.107 38.375 38.460 0.037 0.000 0.989 149 Y HN 0.080 nan 8.280 nan 0.000 0.527 150 L N 0.163 121.491 121.223 0.175 0.000 2.093 150 L HA -0.138 4.202 4.340 0.000 0.000 0.208 150 L C 2.189 179.116 176.870 0.095 0.000 1.085 150 L CA 1.559 56.502 54.840 0.172 0.000 0.755 150 L CB -1.027 41.133 42.059 0.169 0.000 0.904 150 L HN 0.448 nan 8.230 nan 0.000 0.435 151 L N -1.433 119.784 121.223 -0.010 0.000 2.083 151 L HA -0.213 4.127 4.340 0.000 0.000 0.209 151 L C 2.467 179.358 176.870 0.035 0.000 1.083 151 L CA 1.234 56.061 54.840 -0.021 0.000 0.752 151 L CB -0.508 41.452 42.059 -0.164 0.000 0.899 151 L HN 0.381 nan 8.230 nan 0.000 0.433 152 H N -0.793 118.296 119.070 0.032 0.000 2.462 152 H HA 0.022 4.578 4.556 0.000 0.000 0.292 152 H C 2.083 177.375 175.328 -0.060 0.000 1.049 152 H CA 0.987 57.052 56.048 0.029 0.000 1.334 152 H CB -0.397 29.373 29.762 0.014 0.000 1.404 152 H HN 0.471 nan 8.280 nan 0.000 0.544 153 G N 0.382 109.229 108.800 0.079 0.000 2.394 153 G HA2 -0.111 3.849 3.960 0.000 0.000 0.215 153 G HA3 -0.111 3.849 3.960 0.000 0.000 0.215 153 G C 1.850 176.965 174.900 0.359 0.000 1.165 153 G CA 0.171 45.405 45.100 0.223 0.000 0.784 153 G HN 0.274 nan 8.290 nan 0.000 0.535 154 L N 0.828 122.262 121.223 0.351 0.000 2.141 154 L HA -0.031 4.309 4.340 0.000 0.000 0.209 154 L C 3.104 180.156 176.870 0.303 0.000 1.094 154 L CA 0.787 55.907 54.840 0.466 0.000 0.763 154 L CB -0.284 42.053 42.059 0.464 0.000 0.908 154 L HN 0.136 nan 8.230 nan 0.000 0.437 155 S N -1.105 114.717 115.700 0.204 0.000 2.402 155 S HA -0.286 4.184 4.470 0.000 0.000 0.233 155 S C 1.904 176.483 174.600 -0.036 0.000 1.030 155 S CA 1.476 59.777 58.200 0.168 0.000 1.003 155 S CB -0.430 62.824 63.200 0.090 0.000 0.813 155 S HN 0.529 nan 8.310 nan 0.000 0.477 156 H N -0.300 118.547 119.070 -0.371 0.000 2.489 156 H HA 0.004 4.560 4.556 -0.000 0.000 0.293 156 H C 0.511 175.273 175.328 -0.944 0.000 1.066 156 H CA 1.255 56.854 56.048 -0.747 0.000 1.305 156 H CB -0.015 29.058 29.762 -1.148 0.000 1.386 156 H HN 0.391 nan 8.280 nan 0.000 0.551 157 F N -1.429 118.384 119.950 -0.228 0.000 2.668 157 F HA 0.196 4.723 4.527 -0.000 0.000 0.301 157 F C 1.518 176.835 175.800 -0.805 0.000 1.106 157 F CA -0.211 57.405 58.000 -0.639 0.000 1.289 157 F CB 0.144 38.641 39.000 -0.839 0.000 1.006 157 F HN -0.022 nan 8.300 nan 0.000 0.535 158 V N 1.761 121.538 119.914 -0.229 0.000 2.295 158 V HA -0.202 3.918 4.120 0.000 0.000 0.246 158 V C -0.217 175.858 176.094 -0.032 0.000 1.049 158 V CA 2.107 64.382 62.300 -0.041 0.000 1.024 158 V CB -1.184 30.664 31.823 0.042 0.000 0.648 158 V HN 0.178 nan 8.190 nan 0.000 0.447 159 P HA -0.155 nan 4.420 nan 0.000 0.215 159 P C 1.233 178.504 177.300 -0.047 0.000 1.157 159 P CA 1.715 64.755 63.100 -0.099 0.000 0.874 159 P CB -0.128 31.446 31.700 -0.210 0.000 0.790 160 H N -1.825 117.176 119.070 -0.114 0.000 2.293 160 H HA -0.083 4.473 4.556 -0.000 0.000 0.300 160 H C 1.761 177.141 175.328 0.086 0.000 1.082 160 H CA 1.204 57.232 56.048 -0.033 0.000 1.308 160 H CB -1.538 28.206 29.762 -0.031 0.000 1.375 160 H HN 0.074 nan 8.280 nan 0.000 0.495 161 F N 0.305 120.401 119.950 0.242 0.000 2.161 161 F HA -0.128 4.399 4.527 0.000 0.000 0.300 161 F C 2.402 178.260 175.800 0.097 0.000 1.089 161 F CA 0.750 58.840 58.000 0.151 0.000 1.282 161 F CB -1.051 38.039 39.000 0.150 0.000 1.010 161 F HN 0.129 nan 8.300 nan 0.000 0.485 162 I N -0.364 120.352 120.570 0.244 0.000 2.286 162 I HA -0.219 3.951 4.170 0.000 0.000 0.245 162 I C 2.582 178.747 176.117 0.080 0.000 1.104 162 I CA 1.128 62.509 61.300 0.135 0.000 1.397 162 I CB -0.704 37.342 38.000 0.077 0.000 1.072 162 I HN 0.054 nan 8.210 nan 0.000 0.417 163 A N 0.595 123.447 122.820 0.054 0.000 1.933 163 A HA -0.134 4.186 4.320 0.000 0.000 0.218 163 A C 2.279 179.877 177.584 0.024 0.000 1.175 163 A CA 1.367 53.410 52.037 0.011 0.000 0.628 163 A CB -0.738 18.247 19.000 -0.026 0.000 0.814 163 A HN 0.387 nan 8.150 nan 0.000 0.444 164 L N -0.057 121.211 121.223 0.075 0.000 2.217 164 L HA -0.081 4.259 4.340 0.000 0.000 0.211 164 L C 2.403 179.299 176.870 0.044 0.000 1.107 164 L CA 1.446 56.326 54.840 0.067 0.000 0.783 164 L CB -0.036 42.100 42.059 0.128 0.000 0.919 164 L HN 0.583 nan 8.230 nan 0.000 0.442 165 S N -1.357 114.384 115.700 0.068 0.000 2.559 165 S HA 0.317 4.787 4.470 0.000 0.000 0.226 165 S C 0.843 175.471 174.600 0.046 0.000 1.000 165 S CA -0.180 58.057 58.200 0.061 0.000 0.948 165 S CB 0.151 63.406 63.200 0.091 0.000 0.870 165 S HN 0.127 nan 8.310 nan 0.000 0.497 166 A N 1.333 124.171 122.820 0.029 0.000 2.546 166 A HA 0.623 4.943 4.320 0.000 0.000 0.243 166 A C 0.751 178.340 177.584 0.010 0.000 1.063 166 A CA 0.332 52.380 52.037 0.018 0.000 0.757 166 A CB -0.288 18.708 19.000 -0.007 0.000 0.991 166 A HN 1.384 nan 8.150 nan 0.000 0.503 167 A N 2.423 125.258 122.820 0.025 0.000 3.214 167 A HA 0.533 4.853 4.320 0.000 0.000 0.203 167 A C 0.122 177.733 177.584 0.046 0.000 0.960 167 A CA 0.369 52.422 52.037 0.027 0.000 1.113 167 A CB -0.422 18.590 19.000 0.021 0.000 1.280 167 A HN 1.952 nan 8.150 nan 0.000 0.573 168 S N -0.563 115.159 115.700 0.037 0.000 2.680 168 S HA 0.353 4.823 4.470 0.000 0.000 0.153 168 S C -2.208 172.392 174.600 0.001 0.000 1.224 168 S CA -0.398 57.829 58.200 0.046 0.000 1.197 168 S CB 0.838 64.068 63.200 0.051 0.000 1.634 168 S HN 0.174 nan 8.310 nan 0.000 0.422 169 P HA 0.122 nan 4.420 nan 0.000 0.230 169 P C -0.450 176.653 177.300 -0.328 0.000 1.168 169 P CA 0.597 63.561 63.100 -0.227 0.000 0.793 169 P CB -0.097 31.370 31.700 -0.389 0.000 0.851 170 Y N -0.104 120.226 120.300 0.050 0.000 2.341 170 Y HA 0.562 5.112 4.550 0.000 0.000 0.337 170 Y C 0.814 176.743 175.900 0.047 0.000 1.014 170 Y CA -0.682 57.451 58.100 0.055 0.000 1.111 170 Y CB 1.414 39.913 38.460 0.065 0.000 1.194 170 Y HN -0.258 nan 8.280 nan 0.000 0.462 171 M N 1.832 121.546 119.600 0.191 0.000 2.464 171 M HA 0.277 4.757 4.480 0.000 0.000 0.308 171 M C -0.469 175.926 176.300 0.159 0.000 1.127 171 M CA -0.670 54.712 55.300 0.136 0.000 0.913 171 M CB 2.268 34.898 32.600 0.050 0.000 1.689 171 M HN 0.747 nan 8.290 nan 0.000 0.445 172 Q N 1.253 121.151 119.800 0.162 0.000 2.411 172 Q HA -0.238 4.102 4.340 0.000 0.000 0.305 172 Q C 0.682 176.795 176.000 0.188 0.000 1.273 172 Q CA 1.043 56.947 55.803 0.168 0.000 0.895 172 Q CB -1.677 27.123 28.738 0.103 0.000 1.198 172 Q HN 1.224 nan 8.270 nan 0.000 0.470 173 G N -2.764 106.182 108.800 0.244 0.000 2.159 173 G HA2 -0.182 3.778 3.960 0.000 0.000 0.256 173 G HA3 -0.182 3.778 3.960 0.000 0.000 0.256 173 G C 0.054 175.063 174.900 0.181 0.000 0.977 173 G CA 0.065 45.286 45.100 0.202 0.000 0.652 173 G HN 1.103 nan 8.290 nan 0.000 0.531 174 A N -0.701 122.258 122.820 0.230 0.000 2.469 174 A HA 0.672 4.992 4.320 0.000 0.000 0.299 174 A C -0.771 176.999 177.584 0.309 0.000 1.098 174 A CA -0.091 52.085 52.037 0.232 0.000 0.737 174 A CB 1.447 20.530 19.000 0.138 0.000 1.312 174 A HN 0.234 nan 8.150 nan 0.000 0.414 175 D N 1.680 122.223 120.400 0.238 0.000 2.365 175 D HA 0.214 4.854 4.640 0.000 0.000 0.237 175 D C 1.605 177.913 176.300 0.012 0.000 1.190 175 D CA 0.652 54.674 54.000 0.036 0.000 0.867 175 D CB 1.002 41.829 40.800 0.046 0.000 1.050 175 D HN 0.574 nan 8.370 nan 0.000 0.491 176 T N 1.428 115.973 114.554 -0.015 0.000 2.929 176 T HA -0.158 4.192 4.350 0.000 0.000 0.271 176 T C 1.463 176.251 174.700 0.147 0.000 1.085 176 T CA 0.651 62.782 62.100 0.053 0.000 1.125 176 T CB 0.049 68.918 68.868 0.002 0.000 0.874 176 T HN 0.709 nan 8.240 nan 0.000 0.494 177 R N -1.494 119.029 120.500 0.038 0.000 3.728 177 R HA -0.125 4.215 4.340 0.000 0.000 0.478 177 R C -0.908 175.330 176.300 -0.102 0.000 0.932 177 R CA 0.605 56.691 56.100 -0.022 0.000 1.317 177 R CB -2.017 28.274 30.300 -0.016 0.000 1.987 177 R HN 0.520 nan 8.270 nan 0.000 0.509 178 F N -0.828 118.993 119.950 -0.216 0.000 2.399 178 F HA 0.428 4.955 4.527 0.000 0.000 0.328 178 F C 1.596 177.262 175.800 -0.222 0.000 1.084 178 F CA 0.052 57.898 58.000 -0.257 0.000 1.053 178 F CB 1.165 40.024 39.000 -0.235 0.000 1.209 178 F HN -0.013 nan 8.300 nan 0.000 0.502 179 A N 0.928 123.704 122.820 -0.073 0.000 1.872 179 A HA -0.079 4.241 4.320 0.000 0.000 0.214 179 A C 0.689 178.270 177.584 -0.005 0.000 1.187 179 A CA 0.890 52.890 52.037 -0.063 0.000 0.614 179 A CB -0.506 18.441 19.000 -0.089 0.000 0.826 179 A HN 0.657 nan 8.150 nan 0.000 0.442 180 C N -0.297 119.028 119.300 0.042 0.000 2.437 180 C HA 0.731 5.191 4.460 0.000 0.000 0.307 180 C C 1.282 176.291 174.990 0.032 0.000 1.093 180 C CA -0.442 58.601 59.018 0.042 0.000 1.463 180 C CB -0.172 27.589 27.740 0.035 0.000 1.926 180 C HN 0.579 nan 8.230 nan 0.000 0.420 181 A N 4.472 127.264 122.820 -0.046 0.000 2.195 181 A HA 0.093 4.413 4.320 0.000 0.000 0.210 181 A C 2.212 179.704 177.584 -0.153 0.000 1.165 181 A CA 0.515 52.417 52.037 -0.225 0.000 0.806 181 A CB -0.303 18.560 19.000 -0.227 0.000 0.847 181 A HN 0.910 nan 8.150 nan 0.000 0.482 182 R N -0.581 119.891 120.500 -0.048 0.000 2.096 182 R HA -0.082 4.258 4.340 0.000 0.000 0.235 182 R C 1.151 177.468 176.300 0.028 0.000 1.127 182 R CA 1.379 57.473 56.100 -0.010 0.000 0.968 182 R CB -0.307 30.031 30.300 0.064 0.000 0.861 182 R HN 0.306 nan 8.270 nan 0.000 0.440 183 L N 1.711 122.971 121.223 0.061 0.000 2.465 183 L HA -0.014 4.326 4.340 0.000 0.000 0.224 183 L C 1.288 178.214 176.870 0.094 0.000 1.145 183 L CA 1.242 56.168 54.840 0.144 0.000 0.834 183 L CB -0.792 41.328 42.059 0.102 0.000 0.944 183 L HN 0.241 nan 8.230 nan 0.000 0.451 184 N N -0.015 118.657 118.700 -0.046 0.000 2.270 184 N HA -0.101 4.639 4.740 0.000 0.000 0.181 184 N C 1.810 177.264 175.510 -0.093 0.000 1.016 184 N CA 1.218 54.218 53.050 -0.084 0.000 0.870 184 N CB -0.131 38.215 38.487 -0.236 0.000 0.979 184 N HN 0.528 nan 8.380 nan 0.000 0.431 185 I N -2.694 117.757 120.570 -0.198 0.000 3.334 185 I HA 0.030 4.200 4.170 0.000 0.000 0.282 185 I C 0.792 176.658 176.117 -0.417 0.000 1.313 185 I CA 1.097 62.202 61.300 -0.324 0.000 1.396 185 I CB -0.328 37.406 38.000 -0.443 0.000 1.054 185 I HN -0.198 nan 8.210 nan 0.000 0.495 186 F N 0.854 120.716 119.950 -0.148 0.000 2.717 186 F HA 0.154 4.681 4.527 -0.000 0.000 0.295 186 F C 2.619 178.392 175.800 -0.045 0.000 1.117 186 F CA 0.592 58.437 58.000 -0.259 0.000 1.361 186 F CB -0.305 38.503 39.000 -0.320 0.000 1.112 186 F HN 0.203 nan 8.300 nan 0.000 0.594 187 S N 0.081 115.884 115.700 0.172 0.000 2.528 187 S HA -0.113 4.357 4.470 0.000 0.000 0.244 187 S C 1.899 176.624 174.600 0.208 0.000 0.982 187 S CA 0.918 59.224 58.200 0.176 0.000 0.953 187 S CB -0.509 62.761 63.200 0.118 0.000 0.754 187 S HN 0.219 nan 8.310 nan 0.000 0.529 188 A N 0.144 123.122 122.820 0.264 0.000 2.147 188 A HA 0.453 4.773 4.320 0.000 0.000 0.211 188 A C 0.470 178.243 177.584 0.315 0.000 1.160 188 A CA -0.532 51.648 52.037 0.238 0.000 0.781 188 A CB -0.366 18.723 19.000 0.148 0.000 0.842 188 A HN 0.527 nan 8.150 nan 0.000 0.475 189 F N 0.823 120.849 119.950 0.126 0.000 2.529 189 F HA 0.175 4.702 4.527 0.000 0.000 0.365 189 F C -0.746 175.159 175.800 0.175 0.000 1.102 189 F CA -1.726 56.380 58.000 0.177 0.000 1.271 189 F CB 0.790 39.876 39.000 0.144 0.000 1.120 189 F HN 0.118 nan 8.300 nan 0.000 0.579 190 P HA -0.165 nan 4.420 nan 0.000 0.225 190 P C 0.416 177.865 177.300 0.248 0.000 1.148 190 P CA 1.306 64.543 63.100 0.228 0.000 0.779 190 P CB 0.017 31.818 31.700 0.168 0.000 0.780 191 D N -2.555 118.025 120.400 0.299 0.000 2.369 191 D HA -0.014 4.626 4.640 0.000 0.000 0.211 191 D C 0.430 176.934 176.300 0.340 0.000 1.077 191 D CA -0.404 53.777 54.000 0.301 0.000 0.842 191 D CB -0.661 40.227 40.800 0.147 0.000 0.947 191 D HN 0.107 nan 8.370 nan 0.000 0.509 192 N N 0.891 119.771 118.700 0.301 0.000 2.416 192 N HA 0.217 4.957 4.740 0.000 0.000 0.246 192 N C 0.894 176.564 175.510 0.267 0.000 1.260 192 N CA 1.826 55.023 53.050 0.247 0.000 0.897 192 N CB 0.790 39.411 38.487 0.222 0.000 1.110 192 N HN 0.338 nan 8.380 nan 0.000 0.439 193 G N 1.873 110.824 108.800 0.253 0.000 2.508 193 G HA2 -0.192 3.768 3.960 0.000 0.000 0.220 193 G HA3 -0.192 3.768 3.960 0.000 0.000 0.220 193 G C -2.941 172.093 174.900 0.223 0.000 1.287 193 G CA -0.663 44.595 45.100 0.263 0.000 0.916 193 G HN 0.548 nan 8.290 nan 0.000 0.574 194 P HA 0.380 nan 4.420 nan 0.000 0.279 194 P C 0.246 177.270 177.300 -0.460 0.000 1.239 194 P CA -0.298 62.665 63.100 -0.228 0.000 0.789 194 P CB 0.898 32.232 31.700 -0.610 0.000 0.933 195 M N 4.559 123.699 119.600 -0.766 0.000 2.260 195 M HA 0.148 4.628 4.480 0.000 0.000 0.348 195 M C -2.153 173.675 176.300 -0.788 0.000 1.342 195 M CA -1.078 53.384 55.300 -1.396 0.000 1.040 195 M CB -0.197 31.609 32.600 -1.323 0.000 1.810 195 M HN 0.166 nan 8.290 nan 0.000 0.453 196 P HA -0.081 nan 4.420 nan 0.000 0.267 196 P C -0.991 176.150 177.300 -0.265 0.000 1.200 196 P CA -0.085 62.819 63.100 -0.327 0.000 0.772 196 P CB 0.223 31.816 31.700 -0.178 0.000 0.855 197 W N 4.775 125.863 121.300 -0.354 0.000 2.295 197 W HA 0.251 4.911 4.660 0.000 0.000 0.335 197 W C -1.147 175.310 176.519 -0.104 0.000 1.351 197 W CA 0.290 57.479 57.345 -0.260 0.000 1.273 197 W CB 0.326 29.638 29.460 -0.246 0.000 1.214 197 W HN 0.208 nan 8.180 nan 0.000 0.563 198 V N 2.879 122.192 119.914 -1.001 0.000 3.049 198 V HA 0.438 4.558 4.120 0.000 0.000 0.309 198 V C 0.415 175.742 176.094 -1.279 0.000 1.148 198 V CA -0.257 61.505 62.300 -0.897 0.000 0.990 198 V CB 1.393 33.019 31.823 -0.329 0.000 1.039 198 V HN 0.595 nan 8.190 nan 0.000 0.430 199 S N 0.714 116.004 115.700 -0.683 0.000 2.503 199 S HA 0.252 4.722 4.470 0.000 0.000 0.215 199 S C 0.462 175.008 174.600 -0.089 0.000 1.003 199 S CA 0.528 58.529 58.200 -0.331 0.000 0.910 199 S CB -0.646 62.616 63.200 0.103 0.000 0.790 199 S HN 1.406 nan 8.310 nan 0.000 0.514 200 N N -1.413 117.243 118.700 -0.075 0.000 3.277 200 N HA 0.176 4.916 4.740 0.000 0.000 0.278 200 N C -0.237 175.323 175.510 0.084 0.000 1.544 200 N CA -0.941 52.127 53.050 0.030 0.000 0.869 200 N CB -0.395 38.130 38.487 0.064 0.000 1.584 200 N HN 0.061 nan 8.380 nan 0.000 0.564 201 W N -0.129 121.141 121.300 -0.050 0.000 2.436 201 W HA -0.100 4.560 4.660 -0.000 0.000 0.284 201 W C 1.479 178.052 176.519 0.090 0.000 1.225 201 W CA 2.077 59.422 57.345 0.001 0.000 1.271 201 W CB 0.190 29.602 29.460 -0.081 0.000 1.114 201 W HN 0.845 nan 8.180 nan 0.000 0.559 202 Q N 1.147 121.000 119.800 0.088 0.000 2.050 202 Q HA -0.236 4.104 4.340 0.000 0.000 0.202 202 Q C 1.876 177.834 176.000 -0.069 0.000 0.980 202 Q CA 2.448 58.256 55.803 0.009 0.000 0.840 202 Q CB -0.770 28.001 28.738 0.056 0.000 0.898 202 Q HN 0.297 nan 8.270 nan 0.000 0.424 203 E N -0.687 119.483 120.200 -0.050 0.000 2.153 203 E HA -0.166 4.184 4.350 0.000 0.000 0.194 203 E C 1.710 178.233 176.600 -0.129 0.000 0.988 203 E CA 0.917 57.271 56.400 -0.077 0.000 0.811 203 E CB -0.291 29.366 29.700 -0.071 0.000 0.746 203 E HN 0.442 nan 8.360 nan 0.000 0.466 204 F N 1.607 121.362 119.950 -0.324 0.000 2.234 204 F HA -0.066 4.461 4.527 -0.000 0.000 0.299 204 F C 2.190 177.755 175.800 -0.391 0.000 1.087 204 F CA 1.165 58.921 58.000 -0.407 0.000 1.340 204 F CB -0.071 38.553 39.000 -0.628 0.000 1.031 204 F HN -0.087 nan 8.300 nan 0.000 0.500 205 A N 0.068 122.593 122.820 -0.491 0.000 1.970 205 A HA 0.101 4.421 4.320 0.000 0.000 0.216 205 A C 2.455 179.896 177.584 -0.239 0.000 1.170 205 A CA 1.189 52.995 52.037 -0.384 0.000 0.645 205 A CB -1.642 17.211 19.000 -0.245 0.000 0.816 205 A HN 0.468 nan 8.150 nan 0.000 0.447 206 G N 0.260 108.937 108.800 -0.205 0.000 2.421 206 G HA2 -0.157 3.803 3.960 0.000 0.000 0.216 206 G HA3 -0.157 3.803 3.960 0.000 0.000 0.216 206 G C 1.502 176.281 174.900 -0.201 0.000 1.171 206 G CA 1.177 46.182 45.100 -0.159 0.000 0.775 206 G HN 0.539 nan 8.290 nan 0.000 0.543 207 L N -0.302 120.783 121.223 -0.230 0.000 2.013 207 L HA -0.045 4.295 4.340 0.000 0.000 0.212 207 L C 2.464 179.195 176.870 -0.232 0.000 1.073 207 L CA 2.198 56.908 54.840 -0.216 0.000 0.753 207 L CB -0.609 41.312 42.059 -0.230 0.000 0.890 207 L HN 0.224 nan 8.230 nan 0.000 0.432 208 F N 0.068 119.721 119.950 -0.496 0.000 2.206 208 F HA -0.090 4.437 4.527 -0.000 0.000 0.298 208 F C 2.681 178.269 175.800 -0.355 0.000 1.090 208 F CA 1.587 59.328 58.000 -0.431 0.000 1.323 208 F CB -0.372 38.280 39.000 -0.580 0.000 1.028 208 F HN 0.058 nan 8.300 nan 0.000 0.492 209 R N 0.468 120.734 120.500 -0.389 0.000 2.105 209 R HA -0.142 4.198 4.340 0.000 0.000 0.239 209 R C 2.291 178.046 176.300 -0.909 0.000 1.135 209 R CA 1.487 57.262 56.100 -0.541 0.000 0.967 209 R CB -0.128 29.981 30.300 -0.319 0.000 0.861 209 R HN 0.280 nan 8.270 nan 0.000 0.442 210 R N 0.045 120.129 120.500 -0.694 0.000 2.093 210 R HA -0.013 4.327 4.340 0.000 0.000 0.224 210 R C 2.394 178.429 176.300 -0.442 0.000 1.101 210 R CA 0.736 56.433 56.100 -0.671 0.000 0.979 210 R CB -0.354 29.796 30.300 -0.251 0.000 0.877 210 R HN 0.276 nan 8.270 nan 0.000 0.441 211 L N 1.446 122.457 121.223 -0.353 0.000 2.201 211 L HA -0.106 4.234 4.340 0.000 0.000 0.212 211 L C 2.256 178.950 176.870 -0.294 0.000 1.105 211 L CA 1.343 56.049 54.840 -0.224 0.000 0.775 211 L CB -0.351 41.631 42.059 -0.127 0.000 0.913 211 L HN 0.236 nan 8.230 nan 0.000 0.440 212 S N -2.286 113.103 115.700 -0.518 0.000 2.558 212 S HA -0.058 4.412 4.470 0.000 0.000 0.217 212 S C 1.624 176.096 174.600 -0.212 0.000 0.975 212 S CA -0.096 57.828 58.200 -0.459 0.000 0.912 212 S CB -0.382 62.365 63.200 -0.756 0.000 0.776 212 S HN 0.287 nan 8.310 nan 0.000 0.526 213 Y N 3.574 123.767 120.300 -0.177 0.000 2.483 213 Y HA 0.065 4.615 4.550 0.000 0.000 0.291 213 Y C 1.364 177.210 175.900 -0.089 0.000 1.143 213 Y CA -0.285 57.747 58.100 -0.114 0.000 1.289 213 Y CB -1.576 36.830 38.460 -0.090 0.000 0.983 213 Y HN 0.258 nan 8.280 nan 0.000 0.556 214 T N -0.730 113.851 114.554 0.045 0.000 2.882 214 T HA 0.096 4.446 4.350 0.000 0.000 0.287 214 T C 1.434 176.128 174.700 -0.010 0.000 1.014 214 T CA 0.079 62.187 62.100 0.012 0.000 1.049 214 T CB 1.424 70.290 68.868 -0.003 0.000 1.001 214 T HN 0.136 nan 8.240 nan 0.000 0.525 215 T N 1.626 116.172 114.554 -0.014 0.000 2.746 215 T HA -0.136 4.214 4.350 0.000 0.000 0.267 215 T C 1.939 176.628 174.700 -0.019 0.000 1.039 215 T CA 1.079 63.167 62.100 -0.020 0.000 1.142 215 T CB -0.291 68.557 68.868 -0.033 0.000 0.866 215 T HN 0.522 nan 8.240 nan 0.000 0.444 216 M N -0.098 119.491 119.600 -0.018 0.000 2.549 216 M HA 0.187 4.667 4.480 0.000 0.000 0.260 216 M C -0.524 175.789 176.300 0.021 0.000 1.076 216 M CA 1.123 56.429 55.300 0.009 0.000 1.090 216 M CB 0.034 32.648 32.600 0.022 0.000 1.418 216 M HN 0.108 nan 8.290 nan 0.000 0.486 217 I N -0.285 120.271 120.570 -0.023 0.000 2.534 217 I HA 0.176 4.346 4.170 0.000 0.000 0.288 217 I C -0.768 175.297 176.117 -0.087 0.000 1.077 217 I CA -0.315 60.950 61.300 -0.058 0.000 1.051 217 I CB 2.133 40.070 38.000 -0.105 0.000 1.234 217 I HN 0.112 nan 8.210 nan 0.000 0.425 218 D N 1.653 122.028 120.400 -0.042 0.000 2.602 218 D HA 0.099 4.739 4.640 0.000 0.000 0.284 218 D C 0.539 176.882 176.300 0.072 0.000 1.065 218 D CA 0.009 53.993 54.000 -0.026 0.000 0.923 218 D CB 0.361 41.170 40.800 0.015 0.000 1.373 218 D HN 0.449 nan 8.370 nan 0.000 0.492 219 S N -0.324 115.454 115.700 0.131 0.000 2.798 219 S HA 0.411 4.881 4.470 0.000 0.000 0.312 219 S C 0.893 175.647 174.600 0.258 0.000 1.122 219 S CA -0.852 57.499 58.200 0.253 0.000 0.949 219 S CB 1.032 64.314 63.200 0.137 0.000 1.235 219 S HN 0.033 nan 8.310 nan 0.000 0.552 220 I N -0.067 120.584 120.570 0.135 0.000 2.617 220 I HA 0.014 4.184 4.170 0.000 0.000 0.256 220 I C 2.137 178.208 176.117 -0.077 0.000 1.167 220 I CA 0.782 62.081 61.300 -0.002 0.000 1.469 220 I CB -0.799 37.156 38.000 -0.074 0.000 1.098 220 I HN 0.586 nan 8.210 nan 0.000 0.436 221 K N 1.279 121.668 120.400 -0.018 0.000 2.280 221 K HA -0.160 4.160 4.320 0.000 0.000 0.202 221 K C 1.374 177.921 176.600 -0.088 0.000 1.047 221 K CA 1.065 57.343 56.287 -0.016 0.000 0.942 221 K CB -0.104 32.424 32.500 0.047 0.000 0.739 221 K HN 0.241 nan 8.250 nan 0.000 0.457 222 D N -0.330 119.974 120.400 -0.160 0.000 2.289 222 D HA -0.006 4.634 4.640 0.000 0.000 0.207 222 D C -0.149 175.714 176.300 -0.729 0.000 0.966 222 D CA 0.517 54.339 54.000 -0.297 0.000 0.868 222 D CB 0.201 40.928 40.800 -0.121 0.000 0.943 222 D HN 0.117 nan 8.370 nan 0.000 0.514 223 L N 1.887 122.700 121.223 -0.683 0.000 2.261 223 L HA 0.158 4.498 4.340 0.000 0.000 0.289 223 L C 0.181 176.501 176.870 -0.916 0.000 1.059 223 L CA -0.279 53.998 54.840 -0.938 0.000 0.816 223 L CB 0.766 42.027 42.059 -1.329 0.000 1.191 223 L HN -0.054 nan 8.230 nan 0.000 0.431 224 H N 2.715 121.524 119.070 -0.435 0.000 2.557 224 H HA 0.133 4.689 4.556 -0.000 0.000 0.236 224 H C -0.421 174.821 175.328 -0.142 0.000 1.676 224 H CA -0.617 55.239 56.048 -0.320 0.000 1.197 224 H CB -0.265 29.283 29.762 -0.356 0.000 1.604 224 H HN 0.441 nan 8.280 nan 0.000 0.509 225 W N 0.799 122.097 121.300 -0.003 0.000 2.161 225 W HA 0.065 4.725 4.660 0.000 0.000 0.344 225 W C 1.246 177.755 176.519 -0.017 0.000 1.262 225 W CA -0.721 56.630 57.345 0.009 0.000 1.270 225 W CB 0.521 29.999 29.460 0.029 0.000 1.126 225 W HN 0.262 nan 8.180 nan 0.000 0.598 226 D N 0.813 121.390 120.400 0.294 0.000 2.097 226 D HA -0.046 4.594 4.640 0.000 0.000 0.195 226 D C 0.591 176.992 176.300 0.167 0.000 0.989 226 D CA 1.713 55.837 54.000 0.206 0.000 0.827 226 D CB 0.257 41.245 40.800 0.314 0.000 0.966 226 D HN 0.103 nan 8.370 nan 0.000 0.456 227 I N -0.347 120.354 120.570 0.218 0.000 2.545 227 I HA 0.389 4.559 4.170 0.000 0.000 0.292 227 I C -0.203 176.053 176.117 0.231 0.000 1.040 227 I CA -0.851 60.551 61.300 0.170 0.000 1.068 227 I CB 2.738 40.846 38.000 0.181 0.000 1.251 227 I HN -0.303 nan 8.210 nan 0.000 0.424 228 R N 7.105 127.710 120.500 0.176 0.000 2.510 228 R HA 0.434 4.774 4.340 0.000 0.000 0.287 228 R C -2.928 173.466 176.300 0.157 0.000 1.084 228 R CA -1.462 54.801 56.100 0.271 0.000 0.934 228 R CB 2.592 33.005 30.300 0.188 0.000 1.201 228 R HN 0.233 nan 8.270 nan 0.000 0.431 229 P HA 0.027 nan 4.420 nan 0.000 0.276 229 P C -0.869 176.559 177.300 0.214 0.000 1.235 229 P CA -0.109 63.094 63.100 0.171 0.000 0.772 229 P CB 1.641 33.398 31.700 0.094 0.000 0.871 230 S N 4.282 120.091 115.700 0.182 0.000 2.434 230 S HA 0.389 4.859 4.470 0.000 0.000 0.318 230 S C -1.639 172.963 174.600 0.004 0.000 1.062 230 S CA -1.919 56.371 58.200 0.149 0.000 1.116 230 S CB 0.348 63.655 63.200 0.179 0.000 0.977 230 S HN 0.170 nan 8.310 nan 0.000 0.480 231 P HA -0.007 nan 4.420 nan 0.000 0.216 231 P C 1.453 178.629 177.300 -0.207 0.000 1.153 231 P CA 1.142 64.158 63.100 -0.141 0.000 0.848 231 P CB 0.059 31.915 31.700 0.259 0.000 0.787 232 A N -0.664 122.134 122.820 -0.036 0.000 1.851 232 A HA -0.195 4.125 4.320 0.000 0.000 0.216 232 A C 1.980 179.440 177.584 -0.208 0.000 1.195 232 A CA 1.715 53.691 52.037 -0.101 0.000 0.622 232 A CB -1.881 17.093 19.000 -0.044 0.000 0.831 232 A HN 0.142 nan 8.150 nan 0.000 0.444 233 F N -0.461 119.378 119.950 -0.185 0.000 2.661 233 F HA 0.275 4.802 4.527 0.000 0.000 0.298 233 F C 1.809 177.528 175.800 -0.135 0.000 1.137 233 F CA 0.779 58.674 58.000 -0.174 0.000 1.454 233 F CB -0.086 38.819 39.000 -0.159 0.000 1.103 233 F HN 0.417 nan 8.300 nan 0.000 0.577 234 G N 1.820 110.500 108.800 -0.199 0.000 2.272 234 G HA2 -0.226 3.734 3.960 0.000 0.000 0.280 234 G HA3 -0.226 3.734 3.960 0.000 0.000 0.280 234 G C -0.005 174.760 174.900 -0.225 0.000 1.067 234 G CA 0.352 45.098 45.100 -0.590 0.000 0.902 234 G HN 0.470 nan 8.290 nan 0.000 0.500 235 T N -3.922 110.599 114.554 -0.054 0.000 2.864 235 T HA 0.747 5.097 4.350 0.000 0.000 0.289 235 T C -0.546 174.291 174.700 0.228 0.000 1.082 235 T CA -0.663 61.542 62.100 0.176 0.000 1.009 235 T CB 2.883 71.898 68.868 0.246 0.000 1.234 235 T HN 0.811 nan 8.240 nan 0.000 0.526 236 V N 1.216 121.240 119.914 0.184 0.000 2.384 236 V HA 0.477 4.598 4.120 0.000 0.000 0.287 236 V C -0.101 176.018 176.094 0.042 0.000 1.020 236 V CA -0.631 61.743 62.300 0.122 0.000 0.850 236 V CB 1.186 33.077 31.823 0.114 0.000 0.987 236 V HN 0.985 nan 8.190 nan 0.000 0.436 237 E N 3.894 124.060 120.200 -0.056 0.000 2.109 237 E HA 0.469 4.819 4.350 0.000 0.000 0.278 237 E C -0.969 175.542 176.600 -0.149 0.000 0.954 237 E CA -0.401 55.840 56.400 -0.266 0.000 0.779 237 E CB 1.983 31.355 29.700 -0.547 0.000 1.093 237 E HN 0.556 nan 8.360 nan 0.000 0.401 238 V N 5.547 125.396 119.914 -0.110 0.000 2.465 238 V HA 0.415 4.535 4.120 0.000 0.000 0.279 238 V C -0.003 176.028 176.094 -0.106 0.000 1.045 238 V CA -0.188 62.093 62.300 -0.032 0.000 0.938 238 V CB 1.054 32.908 31.823 0.051 0.000 0.986 238 V HN 0.837 nan 8.190 nan 0.000 0.467 239 R N 3.753 124.190 120.500 -0.105 0.000 2.616 239 R HA 0.198 4.538 4.340 0.000 0.000 0.427 239 R C 0.644 176.913 176.300 -0.051 0.000 1.030 239 R CA 0.659 56.590 56.100 -0.281 0.000 1.133 239 R CB 1.107 31.076 30.300 -0.552 0.000 1.444 239 R HN 0.808 nan 8.270 nan 0.000 0.578 240 V N -2.857 117.097 119.914 0.066 0.000 3.644 240 V HA 0.310 4.430 4.120 0.000 0.000 0.267 240 V C 0.777 176.946 176.094 0.126 0.000 1.277 240 V CA 0.090 62.453 62.300 0.104 0.000 1.096 240 V CB -0.093 31.824 31.823 0.157 0.000 0.828 240 V HN 0.007 nan 8.190 nan 0.000 0.446 241 M N 1.826 121.507 119.600 0.135 0.000 2.274 241 M HA 0.430 4.910 4.480 0.000 0.000 0.344 241 M C -0.216 176.155 176.300 0.118 0.000 1.161 241 M CA -0.035 55.340 55.300 0.124 0.000 1.126 241 M CB 0.489 33.152 32.600 0.105 0.000 1.522 241 M HN 0.053 nan 8.290 nan 0.000 0.461 242 D N 1.224 121.686 120.400 0.103 0.000 2.341 242 D HA 0.111 4.751 4.640 0.000 0.000 0.245 242 D C -0.291 176.066 176.300 0.094 0.000 1.106 242 D CA 0.110 54.171 54.000 0.101 0.000 0.905 242 D CB 0.719 41.570 40.800 0.086 0.000 1.202 242 D HN 0.517 nan 8.370 nan 0.000 0.426 243 T N 3.786 118.400 114.554 0.100 0.000 2.829 243 T HA 0.170 4.520 4.350 0.000 0.000 0.293 243 T C -2.060 172.682 174.700 0.071 0.000 0.970 243 T CA -0.775 61.377 62.100 0.086 0.000 1.168 243 T CB 0.542 69.461 68.868 0.085 0.000 0.911 243 T HN 0.230 nan 8.240 nan 0.000 0.535 244 P HA 0.262 nan 4.420 nan 0.000 0.277 244 P C 0.735 178.101 177.300 0.109 0.000 1.271 244 P CA -0.540 62.627 63.100 0.113 0.000 0.795 244 P CB 0.778 32.582 31.700 0.174 0.000 1.101 245 L N -1.896 119.390 121.223 0.105 0.000 2.418 245 L HA 0.092 4.432 4.340 0.000 0.000 0.218 245 L C 1.318 178.324 176.870 0.227 0.000 1.125 245 L CA 1.145 56.018 54.840 0.056 0.000 0.835 245 L CB -0.156 41.849 42.059 -0.089 0.000 0.953 245 L HN 0.437 nan 8.230 nan 0.000 0.454 246 T N -1.728 112.916 114.554 0.149 0.000 2.896 246 T HA 0.374 4.724 4.350 0.000 0.000 0.297 246 T C 0.753 175.409 174.700 -0.072 0.000 1.108 246 T CA -0.636 61.442 62.100 -0.036 0.000 1.004 246 T CB 1.720 70.411 68.868 -0.294 0.000 1.159 246 T HN -0.092 nan 8.240 nan 0.000 0.499 247 L N 1.415 122.508 121.223 -0.217 0.000 2.141 247 L HA 0.002 4.342 4.340 0.000 0.000 0.209 247 L C 1.944 178.744 176.870 -0.116 0.000 1.094 247 L CA 1.111 55.858 54.840 -0.153 0.000 0.763 247 L CB -0.225 41.677 42.059 -0.262 0.000 0.908 247 L HN 0.672 nan 8.230 nan 0.000 0.437 248 D N -0.493 119.793 120.400 -0.191 0.000 2.123 248 D HA -0.186 4.454 4.640 0.000 0.000 0.196 248 D C 2.013 178.292 176.300 -0.034 0.000 0.992 248 D CA 1.445 55.358 54.000 -0.146 0.000 0.833 248 D CB -0.161 40.509 40.800 -0.217 0.000 0.954 248 D HN 0.489 nan 8.370 nan 0.000 0.455 249 H N -0.161 118.914 119.070 0.008 0.000 2.436 249 H HA 0.152 4.708 4.556 0.000 0.000 0.294 249 H C 2.056 177.401 175.328 0.029 0.000 1.048 249 H CA 0.678 56.741 56.048 0.026 0.000 1.353 249 H CB 0.232 30.017 29.762 0.039 0.000 1.414 249 H HN 0.078 nan 8.280 nan 0.000 0.536 250 A N 1.039 123.938 122.820 0.132 0.000 1.908 250 A HA -0.157 4.163 4.320 0.000 0.000 0.218 250 A C 2.254 179.873 177.584 0.059 0.000 1.181 250 A CA 1.433 53.524 52.037 0.090 0.000 0.627 250 A CB -0.576 18.473 19.000 0.082 0.000 0.818 250 A HN 0.330 nan 8.150 nan 0.000 0.445 251 I N -0.100 120.494 120.570 0.041 0.000 2.500 251 I HA -0.164 4.006 4.170 0.000 0.000 0.252 251 I C 1.772 177.907 176.117 0.030 0.000 1.142 251 I CA 0.658 61.972 61.300 0.025 0.000 1.451 251 I CB -0.217 37.784 38.000 0.003 0.000 1.093 251 I HN 0.262 nan 8.210 nan 0.000 0.430 252 N N 0.277 119.008 118.700 0.052 0.000 2.309 252 N HA -0.110 4.630 4.740 0.000 0.000 0.182 252 N C 1.723 177.255 175.510 0.037 0.000 1.018 252 N CA 1.172 54.253 53.050 0.051 0.000 0.876 252 N CB -0.097 38.441 38.487 0.085 0.000 0.972 252 N HN 0.257 nan 8.380 nan 0.000 0.434 253 M N 0.308 119.929 119.600 0.035 0.000 2.236 253 M HA 0.136 4.616 4.480 0.000 0.000 0.266 253 M C 2.120 178.389 176.300 -0.052 0.000 1.070 253 M CA 0.465 55.763 55.300 -0.003 0.000 1.137 253 M CB -1.079 31.525 32.600 0.007 0.000 1.378 253 M HN 0.052 nan 8.290 nan 0.000 0.426 254 A N 0.395 123.204 122.820 -0.019 0.000 1.933 254 A HA -0.033 4.287 4.320 0.000 0.000 0.218 254 A C 2.381 179.961 177.584 -0.007 0.000 1.175 254 A CA 2.012 54.039 52.037 -0.015 0.000 0.628 254 A CB -1.397 17.613 19.000 0.016 0.000 0.814 254 A HN 0.507 nan 8.150 nan 0.000 0.444 255 G N -0.253 108.548 108.800 0.002 0.000 2.402 255 G HA2 -0.111 3.849 3.960 0.000 0.000 0.216 255 G HA3 -0.111 3.849 3.960 0.000 0.000 0.216 255 G C 1.476 176.378 174.900 0.003 0.000 1.162 255 G CA 1.161 46.264 45.100 0.005 0.000 0.777 255 G HN 0.523 nan 8.290 nan 0.000 0.539 256 L N 0.692 121.915 121.223 0.000 0.000 2.046 256 L HA 0.122 4.462 4.340 0.000 0.000 0.208 256 L C 2.584 179.467 176.870 0.022 0.000 1.077 256 L CA 1.353 56.203 54.840 0.017 0.000 0.747 256 L CB -0.421 41.666 42.059 0.047 0.000 0.896 256 L HN 0.254 nan 8.230 nan 0.000 0.432 257 I N -0.470 120.062 120.570 -0.064 0.000 2.315 257 I HA -0.290 3.880 4.170 0.000 0.000 0.248 257 I C 2.606 178.760 176.117 0.060 0.000 1.117 257 I CA 1.525 62.770 61.300 -0.092 0.000 1.404 257 I CB -0.258 37.581 38.000 -0.268 0.000 1.071 257 I HN 0.532 nan 8.210 nan 0.000 0.419 258 Q N 1.414 121.251 119.800 0.063 0.000 2.137 258 Q HA -0.107 4.233 4.340 0.000 0.000 0.198 258 Q C 2.232 178.303 176.000 0.119 0.000 0.960 258 Q CA 1.514 57.388 55.803 0.118 0.000 0.847 258 Q CB -0.323 28.475 28.738 0.100 0.000 0.915 258 Q HN 0.380 nan 8.270 nan 0.000 0.448 259 A N 0.740 123.600 122.820 0.067 0.000 1.972 259 A HA -0.130 4.190 4.320 0.000 0.000 0.219 259 A C 2.198 179.877 177.584 0.158 0.000 1.169 259 A CA 1.786 53.855 52.037 0.053 0.000 0.635 259 A CB -0.908 18.091 19.000 -0.002 0.000 0.810 259 A HN 0.514 nan 8.150 nan 0.000 0.446 260 T N -0.074 114.592 114.554 0.188 0.000 2.942 260 T HA 0.127 4.477 4.350 0.000 0.000 0.265 260 T C 2.190 177.112 174.700 0.370 0.000 1.062 260 T CA 1.130 63.409 62.100 0.298 0.000 1.139 260 T CB -0.273 68.771 68.868 0.294 0.000 0.883 260 T HN 0.560 nan 8.240 nan 0.000 0.468 261 A N 1.222 124.228 122.820 0.310 0.000 1.930 261 A HA -0.158 4.162 4.320 0.000 0.000 0.217 261 A C 2.149 179.928 177.584 0.325 0.000 1.175 261 A CA 1.424 53.656 52.037 0.325 0.000 0.627 261 A CB -0.775 18.423 19.000 0.330 0.000 0.815 261 A HN 0.614 nan 8.150 nan 0.000 0.443 262 H N -2.382 116.756 119.070 0.113 0.000 2.333 262 H HA -0.178 4.378 4.556 -0.000 0.000 0.302 262 H C 1.999 177.350 175.328 0.039 0.000 1.075 262 H CA 2.019 57.972 56.048 -0.158 0.000 1.348 262 H CB -0.426 29.050 29.762 -0.477 0.000 1.393 262 H HN 0.660 nan 8.280 nan 0.000 0.509 263 W N 1.866 123.205 121.300 0.066 0.000 2.338 263 W HA -0.176 4.484 4.660 -0.000 0.000 0.304 263 W C 2.116 178.630 176.519 -0.008 0.000 1.212 263 W CA 1.504 58.861 57.345 0.020 0.000 1.264 263 W CB -0.777 28.696 29.460 0.022 0.000 1.142 263 W HN 0.165 nan 8.180 nan 0.000 0.512 264 L N -0.080 121.091 121.223 -0.087 0.000 2.027 264 L HA -0.216 4.124 4.340 0.000 0.000 0.206 264 L C 2.604 179.431 176.870 -0.071 0.000 1.074 264 L CA 1.350 56.067 54.840 -0.204 0.000 0.745 264 L CB -0.921 41.216 42.059 0.129 0.000 0.898 264 L HN -0.004 nan 8.230 nan 0.000 0.433 265 L N -1.467 119.760 121.223 0.007 0.000 2.217 265 L HA -0.143 4.197 4.340 0.000 0.000 0.211 265 L C 2.449 179.220 176.870 -0.165 0.000 1.107 265 L CA 1.036 55.850 54.840 -0.044 0.000 0.783 265 L CB -0.485 41.630 42.059 0.093 0.000 0.919 265 L HN 0.232 nan 8.230 nan 0.000 0.442 266 T N -1.373 113.047 114.554 -0.223 0.000 2.976 266 T HA -0.021 4.329 4.350 0.000 0.000 0.257 266 T C 1.606 176.187 174.700 -0.199 0.000 1.051 266 T CA 0.807 62.757 62.100 -0.250 0.000 1.141 266 T CB 0.240 68.826 68.868 -0.471 0.000 0.881 266 T HN 0.192 nan 8.240 nan 0.000 0.461 267 E N 0.493 120.539 120.200 -0.256 0.000 2.473 267 E HA 0.180 4.530 4.350 0.000 0.000 0.204 267 E C 0.078 176.497 176.600 -0.302 0.000 0.994 267 E CA -0.025 56.228 56.400 -0.246 0.000 0.945 267 E CB 0.313 29.864 29.700 -0.247 0.000 0.990 267 E HN 0.206 nan 8.360 nan 0.000 0.493 268 R N 0.596 120.891 120.500 -0.342 0.000 3.092 268 R HA -0.155 4.185 4.340 0.000 0.000 0.245 268 R C -1.822 174.321 176.300 -0.262 0.000 0.881 268 R CA 0.261 56.213 56.100 -0.247 0.000 0.614 268 R CB -1.874 28.279 30.300 -0.245 0.000 1.128 268 R HN 0.215 nan 8.270 nan 0.000 0.483 269 P HA -0.101 nan 4.420 nan 0.000 0.218 269 P C 0.179 177.186 177.300 -0.489 0.000 1.148 269 P CA 1.386 64.030 63.100 -0.761 0.000 0.822 269 P CB 0.127 30.865 31.700 -1.603 0.000 0.784 270 F N -1.116 118.827 119.950 -0.012 0.000 2.522 270 F HA 0.434 4.961 4.527 -0.000 0.000 0.324 270 F C 0.804 176.672 175.800 0.113 0.000 1.077 270 F CA -1.766 56.233 58.000 -0.001 0.000 0.944 270 F CB 1.070 40.011 39.000 -0.099 0.000 1.175 270 F HN -0.455 nan 8.300 nan 0.000 0.468 271 K N 4.820 125.380 120.400 0.267 0.000 2.356 271 K HA 0.328 4.648 4.320 0.000 0.000 0.243 271 K C -2.552 174.152 176.600 0.173 0.000 1.072 271 K CA -1.793 54.627 56.287 0.220 0.000 1.014 271 K CB 0.379 32.955 32.500 0.127 0.000 1.523 271 K HN 0.302 nan 8.250 nan 0.000 0.455 272 P HA 0.001 nan 4.420 nan 0.000 0.268 272 P C -1.006 176.395 177.300 0.167 0.000 1.205 272 P CA 0.075 63.254 63.100 0.131 0.000 0.771 272 P CB 0.921 32.702 31.700 0.134 0.000 0.858 273 Q N 0.057 119.809 119.800 -0.080 0.000 2.391 273 Q HA 0.094 4.434 4.340 0.000 0.000 0.279 273 Q C 0.764 176.211 176.000 -0.921 0.000 1.028 273 Q CA -0.632 54.887 55.803 -0.474 0.000 0.836 273 Q CB 2.251 30.869 28.738 -0.201 0.000 1.414 273 Q HN 0.507 nan 8.270 nan 0.000 0.397 274 E N 0.911 120.135 120.200 -1.626 0.000 2.130 274 E HA -0.280 4.070 4.350 0.000 0.000 0.196 274 E C 1.005 177.362 176.600 -0.407 0.000 0.998 274 E CA 1.495 57.198 56.400 -1.162 0.000 0.806 274 E CB 0.389 29.405 29.700 -1.140 0.000 0.738 274 E HN 0.426 nan 8.360 nan 0.000 0.459 275 Q N 0.612 120.231 119.800 -0.300 0.000 2.439 275 Q HA -0.125 4.215 4.340 0.000 0.000 0.211 275 Q C 1.251 177.146 176.000 -0.174 0.000 0.978 275 Q CA 0.895 56.601 55.803 -0.162 0.000 0.897 275 Q CB -0.105 28.601 28.738 -0.054 0.000 0.956 275 Q HN 0.385 nan 8.270 nan 0.000 0.483 276 D N -0.961 119.381 120.400 -0.097 0.000 2.178 276 D HA -0.136 4.504 4.640 0.000 0.000 0.202 276 D C 1.032 177.254 176.300 -0.131 0.000 0.974 276 D CA 0.885 54.819 54.000 -0.109 0.000 0.841 276 D CB -0.191 40.546 40.800 -0.105 0.000 0.953 276 D HN 0.354 nan 8.370 nan 0.000 0.478 277 Y N 0.368 120.596 120.300 -0.121 0.000 2.578 277 Y HA 0.043 4.593 4.550 0.000 0.000 0.297 277 Y C 1.874 177.770 175.900 -0.006 0.000 1.176 277 Y CA -0.251 57.825 58.100 -0.040 0.000 1.315 277 Y CB -0.118 38.286 38.460 -0.094 0.000 1.031 277 Y HN -0.081 nan 8.280 nan 0.000 0.524 278 L N -0.003 121.247 121.223 0.044 0.000 2.043 278 L HA -0.229 4.111 4.340 0.000 0.000 0.212 278 L C 1.415 178.350 176.870 0.109 0.000 1.075 278 L CA 2.016 56.871 54.840 0.024 0.000 0.752 278 L CB -0.380 41.620 42.059 -0.099 0.000 0.891 278 L HN 0.240 nan 8.230 nan 0.000 0.432 279 L N -1.779 119.492 121.223 0.079 0.000 2.741 279 L HA 0.002 4.342 4.340 0.000 0.000 0.237 279 L C 1.684 178.696 176.870 0.236 0.000 1.178 279 L CA -0.154 54.783 54.840 0.162 0.000 0.973 279 L CB -0.602 41.455 42.059 -0.004 0.000 1.255 279 L HN 0.293 nan 8.230 nan 0.000 0.498 280 Y N 1.800 122.158 120.300 0.096 0.000 2.097 280 Y HA -0.310 4.240 4.550 0.000 0.000 0.282 280 Y C 2.336 178.289 175.900 0.088 0.000 1.152 280 Y CA 1.881 60.013 58.100 0.054 0.000 1.136 280 Y CB 0.153 38.680 38.460 0.111 0.000 0.975 280 Y HN 0.056 nan 8.280 nan 0.000 0.498 281 K N -0.818 119.737 120.400 0.258 0.000 2.217 281 K HA -0.093 4.227 4.320 0.000 0.000 0.202 281 K C 1.696 178.249 176.600 -0.079 0.000 1.051 281 K CA 1.365 57.688 56.287 0.060 0.000 0.952 281 K CB -0.307 32.203 32.500 0.017 0.000 0.736 281 K HN 0.279 nan 8.250 nan 0.000 0.453 282 F N 1.411 121.390 119.950 0.049 0.000 2.163 282 F HA -0.091 4.436 4.527 0.000 0.000 0.297 282 F C 1.748 177.578 175.800 0.049 0.000 1.094 282 F CA 1.218 59.243 58.000 0.042 0.000 1.290 282 F CB -0.405 38.596 39.000 0.001 0.000 1.017 282 F HN 0.081 nan 8.300 nan 0.000 0.483 283 N N 0.077 118.858 118.700 0.136 0.000 2.142 283 N HA -0.181 4.559 4.740 0.000 0.000 0.186 283 N C 1.788 177.262 175.510 -0.060 0.000 1.023 283 N CA 1.114 54.162 53.050 -0.002 0.000 0.852 283 N CB -0.153 38.268 38.487 -0.111 0.000 0.998 283 N HN 0.236 nan 8.380 nan 0.000 0.424 284 R N 0.322 120.741 120.500 -0.135 0.000 2.115 284 R HA -0.030 4.310 4.340 0.000 0.000 0.226 284 R C 1.763 178.061 176.300 -0.003 0.000 1.100 284 R CA 0.850 56.872 56.100 -0.130 0.000 0.980 284 R CB -0.980 29.172 30.300 -0.247 0.000 0.875 284 R HN 0.164 nan 8.270 nan 0.000 0.445 285 F N 1.855 121.772 119.950 -0.055 0.000 2.126 285 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 285 F C 2.155 177.947 175.800 -0.013 0.000 1.096 285 F CA 1.741 59.737 58.000 -0.007 0.000 1.255 285 F CB -0.066 38.920 39.000 -0.024 0.000 0.997 285 F HN 0.012 nan 8.300 nan 0.000 0.479 286 Q N 0.287 120.190 119.800 0.171 0.000 2.096 286 Q HA -0.198 4.142 4.340 0.000 0.000 0.204 286 Q C 2.498 178.496 176.000 -0.005 0.000 0.982 286 Q CA 1.583 57.474 55.803 0.147 0.000 0.850 286 Q CB -0.937 27.900 28.738 0.164 0.000 0.901 286 Q HN 0.557 nan 8.270 nan 0.000 0.422 287 A N -0.009 122.773 122.820 -0.063 0.000 1.930 287 A HA -0.151 4.169 4.320 0.000 0.000 0.217 287 A C 2.533 180.045 177.584 -0.119 0.000 1.175 287 A CA 1.273 53.260 52.037 -0.084 0.000 0.627 287 A CB -0.801 18.151 19.000 -0.081 0.000 0.815 287 A HN 0.446 nan 8.150 nan 0.000 0.443 288 C N -1.222 117.978 119.300 -0.166 0.000 2.453 288 C HA -0.012 4.448 4.460 0.000 0.000 0.277 288 C C 2.802 177.624 174.990 -0.281 0.000 1.262 288 C CA 1.374 60.312 59.018 -0.132 0.000 1.718 288 C CB -1.028 26.670 27.740 -0.070 0.000 2.031 288 C HN 0.760 nan 8.230 nan 0.000 0.480 289 R N 0.294 120.333 120.500 -0.769 0.000 2.060 289 R HA -0.007 4.333 4.340 0.000 0.000 0.225 289 R C 0.443 176.193 176.300 -0.917 0.000 1.155 289 R CA 1.580 56.861 56.100 -1.365 0.000 0.930 289 R CB -0.943 28.303 30.300 -1.757 0.000 0.829 289 R HN 0.517 nan 8.270 nan 0.000 0.433 290 Y N -1.043 119.055 120.300 -0.337 0.000 2.418 290 Y HA 0.484 5.034 4.550 0.000 0.000 0.327 290 Y C 1.544 177.344 175.900 -0.167 0.000 1.309 290 Y CA -0.424 57.547 58.100 -0.214 0.000 1.423 290 Y CB -0.029 38.335 38.460 -0.159 0.000 1.423 290 Y HN 0.243 nan 8.280 nan 0.000 0.532 291 G N -0.218 108.608 108.800 0.043 0.000 3.022 291 G HA2 0.114 4.074 3.960 0.000 0.000 0.157 291 G HA3 0.114 4.074 3.960 0.000 0.000 0.157 291 G C 0.620 175.502 174.900 -0.030 0.000 1.691 291 G CA -0.448 44.635 45.100 -0.028 0.000 1.079 291 G HN 0.580 nan 8.290 nan 0.000 0.549 292 L N 0.905 122.103 121.223 -0.042 0.000 2.642 292 L HA 0.022 4.362 4.340 0.000 0.000 0.236 292 L C 2.307 179.149 176.870 -0.047 0.000 1.169 292 L CA 0.497 55.308 54.840 -0.048 0.000 0.851 292 L CB -0.127 41.909 42.059 -0.037 0.000 0.968 292 L HN 0.260 nan 8.230 nan 0.000 0.453 293 E N 0.493 120.675 120.200 -0.030 0.000 2.358 293 E HA 0.042 4.392 4.350 0.000 0.000 0.195 293 E C 1.335 177.884 176.600 -0.085 0.000 1.010 293 E CA 0.369 56.738 56.400 -0.051 0.000 0.856 293 E CB -0.238 29.441 29.700 -0.036 0.000 0.795 293 E HN 0.385 nan 8.360 nan 0.000 0.504 294 G N 1.327 110.119 108.800 -0.012 0.000 2.484 294 G HA2 0.176 4.136 3.960 0.000 0.000 0.235 294 G HA3 0.176 4.136 3.960 0.000 0.000 0.235 294 G C -0.257 174.596 174.900 -0.078 0.000 1.282 294 G CA -0.253 44.843 45.100 -0.008 0.000 0.857 294 G HN 0.097 nan 8.290 nan 0.000 0.571 295 V N 4.027 123.894 119.914 -0.079 0.000 2.435 295 V HA 0.692 4.812 4.120 0.000 0.000 0.290 295 V C -0.102 175.959 176.094 -0.055 0.000 1.030 295 V CA -1.094 61.160 62.300 -0.077 0.000 0.881 295 V CB 1.315 33.086 31.823 -0.087 0.000 0.983 295 V HN 0.744 nan 8.190 nan 0.000 0.445 296 L N 6.293 127.474 121.223 -0.070 0.000 2.309 296 L HA 0.756 5.096 4.340 0.000 0.000 0.282 296 L C -0.252 176.588 176.870 -0.050 0.000 1.036 296 L CA 0.119 54.913 54.840 -0.076 0.000 0.806 296 L CB 1.955 43.942 42.059 -0.119 0.000 1.220 296 L HN 0.739 nan 8.230 nan 0.000 0.429 297 T N 2.800 117.323 114.554 -0.052 0.000 2.807 297 T HA 0.241 4.591 4.350 0.000 0.000 0.279 297 T C -1.000 173.667 174.700 -0.055 0.000 0.993 297 T CA -0.302 61.767 62.100 -0.051 0.000 0.970 297 T CB 1.360 70.187 68.868 -0.068 0.000 0.950 297 T HN 0.688 nan 8.240 nan 0.000 0.441 298 D N 1.612 121.994 120.400 -0.031 0.000 2.308 298 D HA 0.468 5.108 4.640 0.000 0.000 0.251 298 D C 1.163 177.412 176.300 -0.086 0.000 1.127 298 D CA -0.383 53.608 54.000 -0.015 0.000 0.876 298 D CB 0.960 41.791 40.800 0.052 0.000 1.176 298 D HN 0.512 nan 8.370 nan 0.000 0.446 299 A N 3.370 126.077 122.820 -0.188 0.000 2.019 299 A HA -0.172 4.148 4.320 0.000 0.000 0.219 299 A C 1.169 178.496 177.584 -0.429 0.000 1.164 299 A CA 1.289 53.102 52.037 -0.375 0.000 0.644 299 A CB -0.607 18.045 19.000 -0.580 0.000 0.805 299 A HN 0.749 nan 8.150 nan 0.000 0.449 300 Y N -0.535 119.745 120.300 -0.033 0.000 2.353 300 Y HA 0.013 4.563 4.550 -0.000 0.000 0.294 300 Y C 2.939 178.825 175.900 -0.024 0.000 1.135 300 Y CA 1.425 59.507 58.100 -0.030 0.000 1.176 300 Y CB -0.481 37.964 38.460 -0.025 0.000 1.124 300 Y HN 0.377 nan 8.280 nan 0.000 0.537 301 T N -4.098 110.536 114.554 0.134 0.000 3.037 301 T HA 0.336 4.686 4.350 0.000 0.000 0.251 301 T C 1.787 176.503 174.700 0.025 0.000 1.079 301 T CA 0.584 62.728 62.100 0.072 0.000 1.067 301 T CB -0.089 68.822 68.868 0.072 0.000 0.948 301 T HN 0.476 nan 8.240 nan 0.000 0.496 302 G N 1.421 110.223 108.800 0.002 0.000 2.148 302 G HA2 -0.199 3.761 3.960 0.000 0.000 0.254 302 G HA3 -0.199 3.761 3.960 0.000 0.000 0.254 302 G C -0.412 174.478 174.900 -0.016 0.000 0.981 302 G CA 0.012 45.097 45.100 -0.025 0.000 0.670 302 G HN 0.603 nan 8.290 nan 0.000 0.528 303 D N 0.495 120.897 120.400 0.005 0.000 2.424 303 D HA 0.387 5.027 4.640 0.000 0.000 0.244 303 D C 0.979 177.279 176.300 -0.000 0.000 1.134 303 D CA 0.239 54.244 54.000 0.009 0.000 0.881 303 D CB 0.437 41.256 40.800 0.031 0.000 1.191 303 D HN 0.303 nan 8.370 nan 0.000 0.445 304 R N 2.768 123.264 120.500 -0.007 0.000 2.265 304 R HA 0.416 4.756 4.340 0.000 0.000 0.328 304 R C 0.064 176.358 176.300 -0.009 0.000 0.969 304 R CA -0.659 55.430 56.100 -0.017 0.000 0.832 304 R CB 1.807 32.089 30.300 -0.030 0.000 1.139 304 R HN 0.283 nan 8.270 nan 0.000 0.457 305 R N 2.179 122.675 120.500 -0.006 0.000 2.562 305 R HA 0.259 4.599 4.340 0.000 0.000 0.298 305 R C -0.361 175.924 176.300 -0.024 0.000 0.961 305 R CA -0.816 55.284 56.100 0.000 0.000 0.881 305 R CB 1.527 31.848 30.300 0.034 0.000 1.159 305 R HN 0.489 nan 8.270 nan 0.000 0.450 306 R N 3.056 123.539 120.500 -0.030 0.000 2.679 306 R HA -0.021 4.319 4.340 0.000 0.000 0.268 306 R C 0.686 176.953 176.300 -0.054 0.000 1.044 306 R CA -0.228 55.842 56.100 -0.050 0.000 1.105 306 R CB 0.515 30.788 30.300 -0.046 0.000 0.989 306 R HN 0.627 nan 8.270 nan 0.000 0.447 307 L N 4.242 125.413 121.223 -0.087 0.000 2.156 307 L HA 0.068 4.408 4.340 0.000 0.000 0.208 307 L C 1.936 178.758 176.870 -0.079 0.000 1.095 307 L CA 2.180 56.938 54.840 -0.137 0.000 0.770 307 L CB -0.832 41.120 42.059 -0.179 0.000 0.914 307 L HN 0.898 nan 8.230 nan 0.000 0.439 308 A N -0.808 121.985 122.820 -0.044 0.000 1.902 308 A HA -0.206 4.114 4.320 0.000 0.000 0.217 308 A C 1.989 179.578 177.584 0.009 0.000 1.181 308 A CA 1.859 53.888 52.037 -0.013 0.000 0.623 308 A CB -0.652 18.339 19.000 -0.015 0.000 0.818 308 A HN 0.492 nan 8.150 nan 0.000 0.443 309 D N -0.416 119.988 120.400 0.007 0.000 2.117 309 D HA -0.147 4.493 4.640 0.000 0.000 0.197 309 D C 1.396 177.730 176.300 0.055 0.000 0.987 309 D CA 1.741 55.755 54.000 0.023 0.000 0.829 309 D CB -0.385 40.424 40.800 0.016 0.000 0.961 309 D HN 0.496 nan 8.370 nan 0.000 0.460 310 D N -0.407 120.039 120.400 0.077 0.000 2.269 310 D HA -0.054 4.586 4.640 0.000 0.000 0.208 310 D C 1.663 178.111 176.300 0.248 0.000 0.963 310 D CA 0.789 54.892 54.000 0.172 0.000 0.864 310 D CB 0.193 41.125 40.800 0.220 0.000 0.936 310 D HN -0.017 nan 8.370 nan 0.000 0.505 311 T N -0.215 114.460 114.554 0.201 0.000 2.904 311 T HA -0.011 4.339 4.350 0.000 0.000 0.267 311 T C 1.961 176.708 174.700 0.078 0.000 1.059 311 T CA 0.411 62.635 62.100 0.207 0.000 1.137 311 T CB -0.046 68.914 68.868 0.153 0.000 0.879 311 T HN 0.166 nan 8.240 nan 0.000 0.467 312 L N 0.543 121.797 121.223 0.052 0.000 2.093 312 L HA -0.056 4.284 4.340 0.000 0.000 0.208 312 L C 2.908 179.771 176.870 -0.011 0.000 1.085 312 L CA 1.022 55.870 54.840 0.013 0.000 0.755 312 L CB -0.419 41.648 42.059 0.013 0.000 0.904 312 L HN 0.113 nan 8.230 nan 0.000 0.435 313 R N -0.067 120.443 120.500 0.016 0.000 2.081 313 R HA -0.157 4.183 4.340 0.000 0.000 0.235 313 R C 2.201 178.438 176.300 -0.106 0.000 1.131 313 R CA 1.244 57.339 56.100 -0.008 0.000 0.960 313 R CB -0.837 29.504 30.300 0.069 0.000 0.856 313 R HN 0.273 nan 8.270 nan 0.000 0.436 314 L N 0.920 122.078 121.223 -0.108 0.000 2.056 314 L HA -0.093 4.247 4.340 0.000 0.000 0.207 314 L C 2.031 178.707 176.870 -0.323 0.000 1.078 314 L CA 1.392 56.040 54.840 -0.319 0.000 0.749 314 L CB -0.476 41.361 42.059 -0.371 0.000 0.901 314 L HN -0.026 nan 8.230 nan 0.000 0.433 315 L N -0.025 121.094 121.223 -0.173 0.000 1.989 315 L HA -0.231 4.109 4.340 0.000 0.000 0.211 315 L C 2.324 179.088 176.870 -0.177 0.000 1.071 315 L CA 1.830 56.585 54.840 -0.141 0.000 0.749 315 L CB -1.290 40.730 42.059 -0.066 0.000 0.890 315 L HN 0.339 nan 8.230 nan 0.000 0.431 316 D N -0.819 119.485 120.400 -0.161 0.000 2.149 316 D HA -0.173 4.467 4.640 0.000 0.000 0.198 316 D C 1.901 178.052 176.300 -0.248 0.000 0.990 316 D CA 0.943 54.849 54.000 -0.156 0.000 0.839 316 D CB -0.191 40.544 40.800 -0.107 0.000 0.948 316 D HN 0.290 nan 8.370 nan 0.000 0.460 317 N N 0.179 118.640 118.700 -0.400 0.000 2.244 317 N HA -0.103 4.637 4.740 0.000 0.000 0.183 317 N C 1.705 176.705 175.510 -0.851 0.000 1.016 317 N CA 0.638 53.278 53.050 -0.683 0.000 0.866 317 N CB 0.230 38.058 38.487 -1.098 0.000 0.980 317 N HN 0.223 nan 8.380 nan 0.000 0.430 318 V N -3.614 115.924 119.914 -0.627 0.000 3.483 318 V HA 0.265 4.385 4.120 0.000 0.000 0.301 318 V C 1.612 177.587 176.094 -0.199 0.000 1.389 318 V CA 0.122 62.182 62.300 -0.400 0.000 1.101 318 V CB -0.028 31.622 31.823 -0.288 0.000 0.971 318 V HN -0.082 nan 8.190 nan 0.000 0.434 319 T N 2.259 116.698 114.554 -0.191 0.000 2.708 319 T HA -0.020 4.330 4.350 0.000 0.000 0.266 319 T C -0.113 174.534 174.700 -0.088 0.000 1.037 319 T CA 2.627 64.656 62.100 -0.118 0.000 1.146 319 T CB -0.922 67.885 68.868 -0.102 0.000 0.865 319 T HN 0.527 nan 8.240 nan 0.000 0.435 320 P HA 0.015 nan 4.420 nan 0.000 0.217 320 P C 1.676 178.948 177.300 -0.047 0.000 1.150 320 P CA 0.964 64.040 63.100 -0.040 0.000 0.832 320 P CB -0.079 31.619 31.700 -0.003 0.000 0.787 321 S N -0.727 114.956 115.700 -0.028 0.000 2.383 321 S HA -0.089 4.381 4.470 0.000 0.000 0.227 321 S C 2.018 176.489 174.600 -0.215 0.000 1.026 321 S CA 1.284 59.428 58.200 -0.094 0.000 0.981 321 S CB -0.923 62.367 63.200 0.149 0.000 0.818 321 S HN 0.127 nan 8.310 nan 0.000 0.472 322 A N 2.110 124.856 122.820 -0.123 0.000 1.898 322 A HA -0.068 4.252 4.320 0.000 0.000 0.216 322 A C 2.128 179.647 177.584 -0.108 0.000 1.181 322 A CA 0.904 52.877 52.037 -0.108 0.000 0.620 322 A CB -0.390 18.566 19.000 -0.074 0.000 0.819 322 A HN 0.349 nan 8.150 nan 0.000 0.442 323 R N -0.250 120.193 120.500 -0.096 0.000 2.083 323 R HA -0.172 4.168 4.340 0.000 0.000 0.237 323 R C 2.195 178.439 176.300 -0.094 0.000 1.137 323 R CA 1.738 57.792 56.100 -0.078 0.000 0.951 323 R CB -0.486 29.778 30.300 -0.061 0.000 0.851 323 R HN 0.536 nan 8.270 nan 0.000 0.434 324 K N 0.986 121.303 120.400 -0.137 0.000 2.209 324 K HA -0.070 4.250 4.320 0.000 0.000 0.204 324 K C 1.772 178.275 176.600 -0.161 0.000 1.048 324 K CA 1.023 57.216 56.287 -0.157 0.000 0.940 324 K CB 0.047 32.407 32.500 -0.234 0.000 0.729 324 K HN 0.117 nan 8.250 nan 0.000 0.451 325 L N -1.395 119.717 121.223 -0.185 0.000 2.640 325 L HA 0.284 4.624 4.340 0.000 0.000 0.230 325 L C 0.925 177.754 176.870 -0.067 0.000 1.123 325 L CA 0.214 54.975 54.840 -0.132 0.000 0.900 325 L CB 0.602 42.563 42.059 -0.164 0.000 1.146 325 L HN 0.407 nan 8.230 nan 0.000 0.484 326 G N 0.589 109.351 108.800 -0.063 0.000 2.137 326 G HA2 -0.264 3.696 3.960 0.000 0.000 0.237 326 G HA3 -0.264 3.696 3.960 0.000 0.000 0.237 326 G C 0.513 175.393 174.900 -0.033 0.000 1.002 326 G CA 0.210 45.286 45.100 -0.040 0.000 0.702 326 G HN 0.431 nan 8.290 nan 0.000 0.515 327 A N 0.367 123.163 122.820 -0.041 0.000 2.574 327 A HA 0.495 4.815 4.320 0.000 0.000 0.283 327 A C 1.669 179.235 177.584 -0.030 0.000 1.270 327 A CA 1.081 53.101 52.037 -0.029 0.000 0.945 327 A CB 0.011 18.995 19.000 -0.027 0.000 1.127 327 A HN 0.610 nan 8.150 nan 0.000 0.522 328 D N 0.418 120.797 120.400 -0.035 0.000 2.312 328 D HA -0.153 4.487 4.640 0.000 0.000 0.211 328 D C 1.559 177.846 176.300 -0.022 0.000 0.964 328 D CA 1.367 55.346 54.000 -0.034 0.000 0.877 328 D CB -0.305 40.472 40.800 -0.038 0.000 0.924 328 D HN 0.444 nan 8.370 nan 0.000 0.515 329 S N 0.830 116.520 115.700 -0.016 0.000 2.406 329 S HA 0.052 4.522 4.470 0.000 0.000 0.228 329 S C 2.294 176.895 174.600 0.001 0.000 1.020 329 S CA 0.684 58.879 58.200 -0.008 0.000 0.965 329 S CB -0.237 62.958 63.200 -0.008 0.000 0.798 329 S HN 0.365 nan 8.310 nan 0.000 0.488 330 A N 2.165 124.986 122.820 0.001 0.000 1.897 330 A HA 0.185 4.505 4.320 0.000 0.000 0.215 330 A C 2.211 179.803 177.584 0.013 0.000 1.181 330 A CA 1.252 53.296 52.037 0.013 0.000 0.620 330 A CB -0.746 18.261 19.000 0.011 0.000 0.821 330 A HN 0.803 nan 8.150 nan 0.000 0.443 331 I N -2.630 117.938 120.570 -0.003 0.000 3.251 331 I HA -0.002 4.168 4.170 0.000 0.000 0.277 331 I C 1.004 177.117 176.117 -0.007 0.000 1.268 331 I CA 1.482 62.777 61.300 -0.009 0.000 1.449 331 I CB -0.049 37.931 38.000 -0.032 0.000 1.083 331 I HN 0.004 nan 8.210 nan 0.000 0.464 332 D N 1.700 122.098 120.400 -0.004 0.000 2.162 332 D HA 0.020 4.660 4.640 0.000 0.000 0.203 332 D C 2.331 178.638 176.300 0.012 0.000 0.967 332 D CA 1.583 55.583 54.000 -0.000 0.000 0.840 332 D CB -0.005 40.793 40.800 -0.003 0.000 0.972 332 D HN 0.514 nan 8.370 nan 0.000 0.482 333 A N 0.444 123.277 122.820 0.022 0.000 1.930 333 A HA -0.053 4.267 4.320 0.000 0.000 0.217 333 A C 2.315 179.922 177.584 0.040 0.000 1.175 333 A CA 0.744 52.804 52.037 0.039 0.000 0.627 333 A CB -0.557 18.478 19.000 0.060 0.000 0.815 333 A HN 0.186 nan 8.150 nan 0.000 0.443 334 L N -1.353 119.890 121.223 0.033 0.000 2.131 334 L HA -0.057 4.283 4.340 0.000 0.000 0.206 334 L C 2.708 179.593 176.870 0.025 0.000 1.087 334 L CA 1.279 56.138 54.840 0.032 0.000 0.767 334 L CB -0.412 41.670 42.059 0.038 0.000 0.917 334 L HN 0.433 nan 8.230 nan 0.000 0.441 335 R N 0.603 121.112 120.500 0.016 0.000 2.091 335 R HA -0.180 4.160 4.340 0.000 0.000 0.238 335 R C 2.355 178.665 176.300 0.017 0.000 1.136 335 R CA 1.323 57.429 56.100 0.011 0.000 0.959 335 R CB -0.202 30.098 30.300 0.000 0.000 0.856 335 R HN 0.305 nan 8.270 nan 0.000 0.437 336 L N 0.673 121.908 121.223 0.021 0.000 2.012 336 L HA -0.259 4.081 4.340 0.000 0.000 0.210 336 L C 2.759 179.651 176.870 0.037 0.000 1.073 336 L CA 1.843 56.699 54.840 0.027 0.000 0.748 336 L CB -0.462 41.615 42.059 0.029 0.000 0.891 336 L HN 0.483 nan 8.230 nan 0.000 0.431 337 Q N -0.646 119.177 119.800 0.039 0.000 2.084 337 Q HA -0.199 4.141 4.340 0.000 0.000 0.202 337 Q C 2.124 178.148 176.000 0.041 0.000 0.978 337 Q CA 1.958 57.789 55.803 0.048 0.000 0.844 337 Q CB 0.103 28.856 28.738 0.024 0.000 0.898 337 Q HN 0.397 nan 8.270 nan 0.000 0.426 338 V N 1.112 121.043 119.914 0.029 0.000 2.453 338 V HA -0.209 3.911 4.120 0.000 0.000 0.247 338 V C 2.288 178.395 176.094 0.021 0.000 1.048 338 V CA 1.604 63.917 62.300 0.022 0.000 1.049 338 V CB -0.369 31.468 31.823 0.023 0.000 0.672 338 V HN 0.267 nan 8.190 nan 0.000 0.457 339 K N 0.118 120.532 120.400 0.024 0.000 2.044 339 K HA -0.002 4.318 4.320 0.000 0.000 0.204 339 K C 1.103 177.721 176.600 0.030 0.000 1.049 339 K CA 0.706 57.006 56.287 0.022 0.000 0.945 339 K CB -0.044 32.467 32.500 0.018 0.000 0.724 339 K HN 0.235 nan 8.250 nan 0.000 0.440 340 K N 1.107 121.532 120.400 0.042 0.000 2.559 340 K HA 0.156 4.476 4.320 0.000 0.000 0.236 340 K C 0.237 176.894 176.600 0.094 0.000 1.185 340 K CA 0.115 56.436 56.287 0.058 0.000 1.157 340 K CB 0.794 33.326 32.500 0.053 0.000 1.782 340 K HN 0.435 nan 8.250 nan 0.000 0.419 341 G N 0.066 108.910 108.800 0.073 0.000 2.785 341 G HA2 -0.158 3.802 3.960 0.000 0.000 0.218 341 G HA3 -0.158 3.802 3.960 0.000 0.000 0.218 341 G C 0.084 174.990 174.900 0.010 0.000 1.251 341 G CA -0.431 44.715 45.100 0.078 0.000 1.129 341 G HN 0.661 nan 8.290 nan 0.000 0.573 342 G N -0.296 108.481 108.800 -0.039 0.000 2.588 342 G HA2 0.662 4.622 3.960 0.000 0.000 0.281 342 G HA3 0.662 4.622 3.960 0.000 0.000 0.281 342 G C -0.544 174.221 174.900 -0.225 0.000 1.223 342 G CA 0.737 45.753 45.100 -0.139 0.000 0.871 342 G HN 1.704 nan 8.290 nan 0.000 0.492 343 N N -0.103 118.445 118.700 -0.253 0.000 2.364 343 N HA 0.288 5.028 4.740 0.000 0.000 0.264 343 N C 0.664 176.040 175.510 -0.223 0.000 1.263 343 N CA -0.135 52.809 53.050 -0.177 0.000 0.959 343 N CB 1.078 39.503 38.487 -0.104 0.000 1.204 343 N HN 0.575 nan 8.380 nan 0.000 0.550 344 E N -1.080 119.090 120.200 -0.050 0.000 2.204 344 E HA -0.140 4.210 4.350 0.000 0.000 0.195 344 E C 1.598 178.219 176.600 0.035 0.000 0.990 344 E CA 1.153 57.590 56.400 0.062 0.000 0.821 344 E CB -0.195 29.534 29.700 0.049 0.000 0.750 344 E HN 0.678 nan 8.360 nan 0.000 0.477 345 A N 0.820 123.623 122.820 -0.029 0.000 1.930 345 A HA -0.245 4.075 4.320 0.000 0.000 0.217 345 A C 2.075 179.632 177.584 -0.045 0.000 1.175 345 A CA 1.394 53.422 52.037 -0.015 0.000 0.627 345 A CB -0.388 18.586 19.000 -0.044 0.000 0.815 345 A HN 0.233 nan 8.150 nan 0.000 0.443 346 Q N -1.602 118.095 119.800 -0.171 0.000 2.084 346 Q HA -0.206 4.134 4.340 0.000 0.000 0.202 346 Q C 1.488 177.415 176.000 -0.121 0.000 0.978 346 Q CA 1.826 57.494 55.803 -0.226 0.000 0.844 346 Q CB -0.226 28.259 28.738 -0.421 0.000 0.898 346 Q HN 0.739 nan 8.270 nan 0.000 0.426 347 Y N -0.523 119.826 120.300 0.082 0.000 2.516 347 Y HA 0.009 4.559 4.550 -0.000 0.000 0.291 347 Y C 1.901 177.908 175.900 0.179 0.000 1.131 347 Y CA 0.545 58.715 58.100 0.116 0.000 1.281 347 Y CB -0.149 38.367 38.460 0.094 0.000 1.013 347 Y HN 0.164 nan 8.280 nan 0.000 0.554 348 M N -0.799 118.980 119.600 0.299 0.000 2.123 348 M HA -0.171 4.309 4.480 0.000 0.000 0.263 348 M C 2.245 178.784 176.300 0.397 0.000 1.069 348 M CA 1.551 57.055 55.300 0.340 0.000 1.133 348 M CB -0.154 32.653 32.600 0.346 0.000 1.356 348 M HN 0.048 nan 8.290 nan 0.000 0.415 349 R N 0.072 120.752 120.500 0.300 0.000 2.120 349 R HA -0.141 4.199 4.340 0.000 0.000 0.234 349 R C 1.833 178.279 176.300 0.242 0.000 1.123 349 R CA 1.280 57.544 56.100 0.273 0.000 0.975 349 R CB -0.259 30.109 30.300 0.113 0.000 0.866 349 R HN 0.522 nan 8.270 nan 0.000 0.446 350 E N -0.446 119.899 120.200 0.242 0.000 2.208 350 E HA -0.165 4.185 4.350 0.000 0.000 0.193 350 E C 1.544 178.274 176.600 0.217 0.000 0.988 350 E CA 0.698 57.226 56.400 0.213 0.000 0.828 350 E CB -0.065 29.786 29.700 0.252 0.000 0.763 350 E HN 0.251 nan 8.360 nan 0.000 0.478 351 F N 1.164 121.187 119.950 0.123 0.000 2.186 351 F HA -0.158 4.369 4.527 -0.000 0.000 0.299 351 F C 1.835 177.661 175.800 0.043 0.000 1.090 351 F CA 0.961 59.005 58.000 0.073 0.000 1.307 351 F CB 0.200 39.240 39.000 0.067 0.000 1.019 351 F HN -0.067 nan 8.300 nan 0.000 0.489 352 I N 0.530 121.218 120.570 0.197 0.000 2.406 352 I HA -0.085 4.085 4.170 0.000 0.000 0.249 352 I C 2.667 178.793 176.117 0.015 0.000 1.122 352 I CA 1.242 62.587 61.300 0.076 0.000 1.431 352 I CB -2.014 36.095 38.000 0.181 0.000 1.087 352 I HN 0.218 nan 8.210 nan 0.000 0.424 353 A N 0.260 123.116 122.820 0.060 0.000 2.067 353 A HA -0.204 4.116 4.320 0.000 0.000 0.219 353 A C 1.877 179.452 177.584 -0.016 0.000 1.158 353 A CA 1.623 53.680 52.037 0.033 0.000 0.661 353 A CB -0.568 18.467 19.000 0.060 0.000 0.801 353 A HN 0.299 nan 8.150 nan 0.000 0.452 354 D N -1.765 118.600 120.400 -0.059 0.000 2.347 354 D HA 0.251 4.891 4.640 0.000 0.000 0.213 354 D C 1.254 177.462 176.300 -0.153 0.000 0.985 354 D CA 1.395 55.334 54.000 -0.102 0.000 0.879 354 D CB 0.164 40.884 40.800 -0.134 0.000 0.919 354 D HN 0.535 nan 8.370 nan 0.000 0.526 355 G N -1.148 107.544 108.800 -0.181 0.000 2.151 355 G HA2 -0.075 3.885 3.960 0.000 0.000 0.140 355 G HA3 -0.075 3.885 3.960 0.000 0.000 0.140 355 G C 0.612 175.351 174.900 -0.269 0.000 1.020 355 G CA -0.221 44.773 45.100 -0.177 0.000 0.688 355 G HN 0.521 nan 8.290 nan 0.000 0.500 356 G N 0.068 108.603 108.800 -0.442 0.000 2.537 356 G HA2 0.706 4.666 3.960 0.000 0.000 0.273 356 G HA3 0.706 4.666 3.960 0.000 0.000 0.273 356 G C 0.428 175.224 174.900 -0.172 0.000 1.189 356 G CA 0.739 45.490 45.100 -0.582 0.000 0.881 356 G HN 1.535 nan 8.290 nan 0.000 0.535 357 S N 0.011 115.698 115.700 -0.023 0.000 2.664 357 S HA 0.400 4.870 4.470 0.000 0.000 0.304 357 S C 1.285 175.920 174.600 0.058 0.000 1.099 357 S CA -0.912 57.288 58.200 0.001 0.000 1.003 357 S CB 1.623 64.810 63.200 -0.022 0.000 1.092 357 S HN 0.386 nan 8.310 nan 0.000 0.525 358 L N 1.038 122.240 121.223 -0.034 0.000 2.131 358 L HA -0.039 4.301 4.340 0.000 0.000 0.210 358 L C 2.230 179.146 176.870 0.077 0.000 1.092 358 L CA 1.113 55.934 54.840 -0.031 0.000 0.759 358 L CB -0.620 41.435 42.059 -0.006 0.000 0.903 358 L HN 0.726 nan 8.230 nan 0.000 0.435 359 I N -0.110 120.497 120.570 0.062 0.000 2.226 359 I HA -0.200 3.970 4.170 0.000 0.000 0.245 359 I C 2.586 178.657 176.117 -0.077 0.000 1.100 359 I CA 1.433 62.800 61.300 0.112 0.000 1.374 359 I CB -0.742 37.300 38.000 0.070 0.000 1.057 359 I HN 0.266 nan 8.210 nan 0.000 0.413 360 G N 0.735 109.521 108.800 -0.023 0.000 2.422 360 G HA2 -0.182 3.778 3.960 0.000 0.000 0.218 360 G HA3 -0.182 3.778 3.960 0.000 0.000 0.218 360 G C 1.705 176.494 174.900 -0.185 0.000 1.140 360 G CA 0.106 45.205 45.100 -0.002 0.000 0.775 360 G HN 0.249 nan 8.290 nan 0.000 0.545 361 L N 0.630 121.689 121.223 -0.273 0.000 2.017 361 L HA -0.086 4.254 4.340 0.000 0.000 0.208 361 L C 2.922 179.247 176.870 -0.908 0.000 1.073 361 L CA 1.444 55.790 54.840 -0.824 0.000 0.745 361 L CB -0.349 41.386 42.059 -0.539 0.000 0.894 361 L HN 0.171 nan 8.230 nan 0.000 0.432 362 V N -0.440 119.139 119.914 -0.559 0.000 2.548 362 V HA -0.279 3.841 4.120 0.000 0.000 0.249 362 V C 2.402 178.245 176.094 -0.418 0.000 1.055 362 V CA 1.711 63.745 62.300 -0.444 0.000 1.065 362 V CB -0.495 31.158 31.823 -0.283 0.000 0.681 362 V HN 0.555 nan 8.190 nan 0.000 0.462 363 Q N 0.364 119.804 119.800 -0.600 0.000 2.079 363 Q HA -0.261 4.079 4.340 0.000 0.000 0.200 363 Q C 2.281 178.115 176.000 -0.276 0.000 0.974 363 Q CA 1.747 57.183 55.803 -0.611 0.000 0.840 363 Q CB -0.040 28.248 28.738 -0.750 0.000 0.898 363 Q HN 0.478 nan 8.270 nan 0.000 0.430 364 K N -0.192 120.023 120.400 -0.310 0.000 2.147 364 K HA -0.162 4.158 4.320 0.000 0.000 0.205 364 K C 1.483 178.056 176.600 -0.045 0.000 1.049 364 K CA 1.781 57.951 56.287 -0.195 0.000 0.936 364 K CB -0.218 32.061 32.500 -0.368 0.000 0.722 364 K HN 0.484 nan 8.250 nan 0.000 0.446 365 H N -1.918 117.034 119.070 -0.197 0.000 2.462 365 H HA -0.051 4.505 4.556 -0.000 0.000 0.292 365 H C 1.845 177.146 175.328 -0.044 0.000 1.049 365 H CA 0.840 56.815 56.048 -0.122 0.000 1.334 365 H CB 0.151 29.811 29.762 -0.169 0.000 1.404 365 H HN 0.236 nan 8.280 nan 0.000 0.544 366 C N 0.503 119.844 119.300 0.069 0.000 2.457 366 C HA -0.065 4.395 4.460 0.000 0.000 0.278 366 C C 2.454 177.530 174.990 0.144 0.000 1.309 366 C CA 0.715 59.788 59.018 0.092 0.000 1.735 366 C CB -0.389 27.411 27.740 0.100 0.000 1.992 366 C HN 0.602 nan 8.230 nan 0.000 0.493 367 E N 0.702 120.960 120.200 0.097 0.000 2.072 367 E HA -0.119 4.231 4.350 0.000 0.000 0.191 367 E C 1.899 178.559 176.600 0.099 0.000 0.985 367 E CA 1.012 57.465 56.400 0.089 0.000 0.801 367 E CB -0.104 29.628 29.700 0.052 0.000 0.750 367 E HN 0.611 nan 8.360 nan 0.000 0.452 368 I N -0.335 120.301 120.570 0.109 0.000 2.361 368 I HA -0.201 3.969 4.170 0.000 0.000 0.251 368 I C 0.836 177.020 176.117 0.112 0.000 1.133 368 I CA 0.464 61.818 61.300 0.089 0.000 1.413 368 I CB 0.007 38.059 38.000 0.086 0.000 1.073 368 I HN 0.228 nan 8.210 nan 0.000 0.424 369 W N 2.746 124.027 121.300 -0.032 0.000 1.371 369 W HA 0.438 5.098 4.660 -0.000 0.000 0.482 369 W C 0.333 176.837 176.519 -0.025 0.000 0.640 369 W CA 0.539 57.862 57.345 -0.037 0.000 2.164 369 W CB -0.326 29.115 29.460 -0.032 0.000 1.613 369 W HN 0.075 nan 8.180 nan 0.000 0.212 370 A N 0.000 122.785 122.820 -0.059 0.000 2.254 370 A HA 0.000 4.320 4.320 0.000 0.000 0.244 370 A CA 0.000 51.995 52.037 -0.070 0.000 0.836 370 A CB 0.000 19.013 19.000 0.021 0.000 0.831 370 A HN 0.000 nan 8.150 nan 0.000 0.486