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 2w6j_1_F DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.807 174.700 0.178 0.000 1.109 9 T CA 0.000 62.164 62.100 0.107 0.000 1.349 9 T CB 0.000 68.924 68.868 0.092 0.000 0.612 10 T N -0.058 114.580 114.554 0.140 0.000 2.823 10 T HA 0.709 5.059 4.350 0.000 0.000 0.279 10 T C 0.130 174.725 174.700 -0.175 0.000 0.998 10 T CA 0.261 62.382 62.100 0.035 0.000 0.994 10 T CB 0.744 69.597 68.868 -0.024 0.000 0.960 10 T HN 1.124 nan 8.240 nan 0.000 0.448 11 G N 2.940 111.389 108.800 -0.584 0.000 2.537 11 G HA2 0.730 4.690 3.960 0.000 0.000 0.323 11 G HA3 0.730 4.690 3.960 0.000 0.000 0.323 11 G C -1.272 173.295 174.900 -0.554 0.000 1.207 11 G CA -0.894 43.503 45.100 -1.172 0.000 0.976 11 G HN 0.754 nan 8.290 nan 0.000 0.487 12 R N -0.389 119.838 120.500 -0.456 0.000 2.561 12 R HA 0.374 4.714 4.340 0.000 0.000 0.297 12 R C -0.377 175.805 176.300 -0.197 0.000 0.969 12 R CA -0.731 55.221 56.100 -0.246 0.000 0.879 12 R CB 2.464 32.663 30.300 -0.169 0.000 1.178 12 R HN 0.402 nan 8.270 nan 0.000 0.445 13 I N 3.336 123.826 120.570 -0.134 0.000 2.618 13 I HA -0.085 4.085 4.170 0.000 0.000 0.284 13 I C 1.441 177.518 176.117 -0.067 0.000 1.146 13 I CA 0.238 61.486 61.300 -0.087 0.000 1.425 13 I CB 0.881 38.845 38.000 -0.059 0.000 1.383 13 I HN 0.570 nan 8.210 nan 0.000 0.562 14 V N 2.938 122.821 119.914 -0.051 0.000 3.612 14 V HA 0.616 4.736 4.120 0.000 0.000 0.268 14 V C 0.496 176.576 176.094 -0.024 0.000 1.365 14 V CA 0.374 62.652 62.300 -0.037 0.000 1.044 14 V CB 0.215 32.018 31.823 -0.034 0.000 0.820 14 V HN 0.736 nan 8.190 nan 0.000 0.444 15 A N -0.272 122.536 122.820 -0.019 0.000 2.566 15 A HA 0.811 5.131 4.320 0.000 0.000 0.297 15 A C -1.343 176.235 177.584 -0.010 0.000 1.059 15 A CA -0.351 51.679 52.037 -0.012 0.000 0.691 15 A CB 2.144 21.140 19.000 -0.007 0.000 1.282 15 A HN 0.610 nan 8.150 nan 0.000 0.401 16 V N 2.051 121.960 119.914 -0.009 0.000 2.668 16 V HA 0.671 4.791 4.120 0.000 0.000 0.304 16 V C -1.325 174.766 176.094 -0.006 0.000 1.071 16 V CA -0.254 62.042 62.300 -0.007 0.000 0.894 16 V CB 1.647 33.464 31.823 -0.009 0.000 1.008 16 V HN 0.960 nan 8.190 nan 0.000 0.425 17 I N 4.509 125.076 120.570 -0.005 0.000 2.529 17 I HA 0.772 4.942 4.170 0.000 0.000 0.284 17 I C 0.572 176.685 176.117 -0.006 0.000 1.088 17 I CA 1.231 62.528 61.300 -0.005 0.000 1.062 17 I CB 1.160 39.157 38.000 -0.005 0.000 1.218 17 I HN 0.952 nan 8.210 nan 0.000 0.442 18 G N 5.811 114.607 108.800 -0.006 0.000 2.651 18 G HA2 -0.326 3.634 3.960 0.000 0.000 0.315 18 G HA3 -0.326 3.634 3.960 0.000 0.000 0.315 18 G C 0.980 175.876 174.900 -0.006 0.000 1.258 18 G CA 0.756 45.852 45.100 -0.007 0.000 1.002 18 G HN 1.610 nan 8.290 nan 0.000 0.551 19 A N -0.855 121.960 122.820 -0.008 0.000 2.168 19 A HA 0.498 4.818 4.320 0.000 0.000 0.215 19 A C 1.132 178.714 177.584 -0.003 0.000 1.152 19 A CA 1.815 53.848 52.037 -0.007 0.000 0.716 19 A CB -0.066 18.926 19.000 -0.014 0.000 0.794 19 A HN 1.352 nan 8.150 nan 0.000 0.465 20 V N 1.028 120.940 119.914 -0.003 0.000 2.370 20 V HA 0.396 4.516 4.120 0.000 0.000 0.279 20 V C -0.616 175.480 176.094 0.004 0.000 1.029 20 V CA -0.381 61.920 62.300 0.002 0.000 0.870 20 V CB 1.318 33.142 31.823 0.000 0.000 0.984 20 V HN 0.075 nan 8.190 nan 0.000 0.451 21 V N 4.147 124.067 119.914 0.010 0.000 2.531 21 V HA 0.468 4.588 4.120 0.000 0.000 0.301 21 V C -0.776 175.329 176.094 0.018 0.000 1.034 21 V CA -0.806 61.499 62.300 0.009 0.000 0.865 21 V CB 2.080 33.908 31.823 0.008 0.000 0.995 21 V HN 0.786 nan 8.190 nan 0.000 0.424 22 D N 3.300 123.706 120.400 0.011 0.000 2.177 22 D HA 0.605 5.245 4.640 0.000 0.000 0.247 22 D C -0.527 175.774 176.300 0.003 0.000 1.063 22 D CA -0.029 53.981 54.000 0.017 0.000 0.867 22 D CB 2.208 43.015 40.800 0.010 0.000 1.168 22 D HN 0.273 nan 8.370 nan 0.000 0.445 23 V N 2.122 122.051 119.914 0.024 0.000 2.577 23 V HA 0.299 4.419 4.120 0.000 0.000 0.303 23 V C -0.205 175.880 176.094 -0.016 0.000 1.042 23 V CA -0.927 61.352 62.300 -0.035 0.000 0.872 23 V CB 1.922 33.733 31.823 -0.020 0.000 0.998 23 V HN 0.395 nan 8.190 nan 0.000 0.423 24 Q N 2.815 122.537 119.800 -0.130 0.000 2.256 24 Q HA 0.655 4.995 4.340 0.000 0.000 0.257 24 Q C -1.863 174.010 176.000 -0.212 0.000 0.936 24 Q CA -0.430 55.331 55.803 -0.070 0.000 0.903 24 Q CB 1.411 30.113 28.738 -0.061 0.000 1.263 24 Q HN 0.630 nan 8.270 nan 0.000 0.440 25 F N 2.232 122.149 119.950 -0.054 0.000 2.482 25 F HA 0.243 4.770 4.527 0.000 0.000 0.331 25 F C 0.410 176.185 175.800 -0.042 0.000 1.115 25 F CA -0.635 57.336 58.000 -0.049 0.000 0.955 25 F CB 1.861 40.825 39.000 -0.061 0.000 1.136 25 F HN 0.654 nan 8.300 nan 0.000 0.452 26 D N 1.013 121.478 120.400 0.109 0.000 2.240 26 D HA 0.004 4.644 4.640 0.000 0.000 0.206 26 D C -0.092 176.249 176.300 0.068 0.000 0.963 26 D CA 1.225 55.260 54.000 0.059 0.000 0.863 26 D CB 0.284 41.095 40.800 0.019 0.000 0.973 26 D HN 0.485 nan 8.370 nan 0.000 0.501 27 E N -0.684 119.576 120.200 0.099 0.000 2.283 27 E HA 0.536 4.886 4.350 0.000 0.000 0.258 27 E C -0.742 175.895 176.600 0.061 0.000 0.893 27 E CA -0.462 55.976 56.400 0.064 0.000 0.798 27 E CB 1.814 31.542 29.700 0.046 0.000 1.242 27 E HN 0.102 nan 8.360 nan 0.000 0.414 28 G N 2.433 111.242 108.800 0.015 0.000 3.285 28 G HA2 -0.183 3.777 3.960 0.000 0.000 0.685 28 G HA3 -0.183 3.777 3.960 0.000 0.000 0.685 28 G C -1.307 173.508 174.900 -0.141 0.000 0.938 28 G CA -0.780 44.294 45.100 -0.043 0.000 0.778 28 G HN 0.362 nan 8.290 nan 0.000 0.515 29 L N 5.719 126.823 121.223 -0.199 0.000 2.296 29 L HA 0.714 5.054 4.340 0.000 0.000 0.286 29 L C -1.480 175.171 176.870 -0.364 0.000 1.023 29 L CA -2.176 52.436 54.840 -0.380 0.000 0.812 29 L CB 1.374 43.244 42.059 -0.314 0.000 1.223 29 L HN 0.504 nan 8.230 nan 0.000 0.421 30 P HA 0.212 nan 4.420 nan 0.000 0.267 30 P C -2.711 174.577 177.300 -0.019 0.000 1.205 30 P CA -1.113 61.809 63.100 -0.298 0.000 0.765 30 P CB -0.045 31.422 31.700 -0.388 0.000 0.828 31 P HA 0.133 nan 4.420 nan 0.000 0.270 31 P C 0.509 177.805 177.300 -0.006 0.000 1.223 31 P CA -0.105 63.011 63.100 0.025 0.000 0.785 31 P CB 0.562 32.237 31.700 -0.042 0.000 0.923 32 I N 2.137 122.639 120.570 -0.113 0.000 2.845 32 I HA -0.158 4.012 4.170 0.000 0.000 0.296 32 I C 1.591 177.638 176.117 -0.116 0.000 1.216 32 I CA 0.705 61.937 61.300 -0.114 0.000 1.438 32 I CB -0.372 37.518 38.000 -0.183 0.000 1.342 32 I HN 0.446 nan 8.210 nan 0.000 0.577 33 L N 1.773 122.925 121.223 -0.119 0.000 4.110 33 L HA -0.252 4.088 4.340 0.000 0.000 0.404 33 L C 0.255 177.081 176.870 -0.073 0.000 0.763 33 L CA 0.150 54.886 54.840 -0.174 0.000 2.413 33 L CB -1.480 40.381 42.059 -0.330 0.000 1.244 33 L HN 0.690 nan 8.230 nan 0.000 0.614 34 N N 1.343 120.018 118.700 -0.042 0.000 2.454 34 N HA 0.430 5.170 4.740 0.000 0.000 0.254 34 N C 0.304 175.819 175.510 0.009 0.000 1.228 34 N CA 0.979 54.018 53.050 -0.017 0.000 0.900 34 N CB 0.839 39.305 38.487 -0.035 0.000 1.089 34 N HN 0.311 nan 8.380 nan 0.000 0.449 35 A N 2.948 125.780 122.820 0.020 0.000 2.362 35 A HA 0.460 4.780 4.320 0.000 0.000 0.276 35 A C -0.199 177.405 177.584 0.034 0.000 1.153 35 A CA -0.438 51.618 52.037 0.031 0.000 0.813 35 A CB -0.115 18.901 19.000 0.027 0.000 1.081 35 A HN 0.634 nan 8.150 nan 0.000 0.507 36 L N 2.150 123.405 121.223 0.054 0.000 2.331 36 L HA 0.512 4.852 4.340 0.000 0.000 0.275 36 L C -0.181 176.723 176.870 0.057 0.000 1.022 36 L CA -0.801 54.088 54.840 0.082 0.000 0.812 36 L CB 1.504 43.650 42.059 0.144 0.000 1.257 36 L HN 0.571 nan 8.230 nan 0.000 0.435 37 E N 2.369 122.600 120.200 0.052 0.000 2.129 37 E HA 0.294 4.644 4.350 0.000 0.000 0.268 37 E C -0.829 175.784 176.600 0.022 0.000 0.900 37 E CA -0.615 55.802 56.400 0.028 0.000 0.755 37 E CB 2.345 32.055 29.700 0.017 0.000 1.117 37 E HN 0.188 nan 8.360 nan 0.000 0.410 38 V N 4.158 124.080 119.914 0.013 0.000 2.508 38 V HA -0.019 4.101 4.120 0.000 0.000 0.281 38 V C 0.587 176.677 176.094 -0.006 0.000 1.041 38 V CA -0.367 61.932 62.300 -0.000 0.000 1.016 38 V CB 0.709 32.530 31.823 -0.003 0.000 0.984 38 V HN 0.459 nan 8.190 nan 0.000 0.478 39 Q N 3.020 122.813 119.800 -0.013 0.000 2.314 39 Q HA 0.397 4.737 4.340 0.000 0.000 0.258 39 Q C 1.158 177.150 176.000 -0.014 0.000 0.954 39 Q CA 0.718 56.513 55.803 -0.013 0.000 0.890 39 Q CB 1.086 29.813 28.738 -0.018 0.000 1.210 39 Q HN 1.153 nan 8.270 nan 0.000 0.410 40 G N 2.270 111.063 108.800 -0.011 0.000 2.131 40 G HA2 -0.198 3.762 3.960 0.000 0.000 0.223 40 G HA3 -0.198 3.762 3.960 0.000 0.000 0.223 40 G C -0.030 174.865 174.900 -0.008 0.000 0.990 40 G CA -0.365 44.729 45.100 -0.010 0.000 0.671 40 G HN 0.377 nan 8.290 nan 0.000 0.521 41 R N 0.198 120.694 120.500 -0.007 0.000 2.500 41 R HA 0.436 4.776 4.340 0.000 0.000 0.277 41 R C 1.138 177.436 176.300 -0.004 0.000 1.026 41 R CA -0.654 55.443 56.100 -0.005 0.000 1.058 41 R CB 0.767 31.065 30.300 -0.004 0.000 1.078 41 R HN 0.192 nan 8.270 nan 0.000 0.509 42 E N 0.810 121.009 120.200 -0.003 0.000 2.106 42 E HA -0.071 4.279 4.350 0.000 0.000 0.192 42 E C 0.535 177.134 176.600 -0.001 0.000 0.984 42 E CA 1.365 57.764 56.400 -0.002 0.000 0.806 42 E CB 0.061 29.760 29.700 -0.002 0.000 0.750 42 E HN 0.690 nan 8.360 nan 0.000 0.458 43 T N -1.716 112.838 114.554 -0.000 0.000 2.887 43 T HA 0.454 4.804 4.350 0.000 0.000 0.288 43 T C 0.009 174.710 174.700 0.001 0.000 1.021 43 T CA -0.977 61.123 62.100 0.001 0.000 1.000 43 T CB 2.485 71.355 68.868 0.002 0.000 1.034 43 T HN -0.114 nan 8.240 nan 0.000 0.467 44 R N 1.100 121.601 120.500 0.002 0.000 2.486 44 R HA 0.166 4.506 4.340 0.000 0.000 0.303 44 R C -0.890 175.413 176.300 0.004 0.000 0.958 44 R CA -0.310 55.791 56.100 0.002 0.000 1.077 44 R CB -0.218 30.083 30.300 0.002 0.000 0.921 44 R HN 0.570 nan 8.270 nan 0.000 0.406 45 L N 6.320 127.546 121.223 0.004 0.000 2.294 45 L HA 0.333 4.673 4.340 0.000 0.000 0.283 45 L C -1.178 175.699 176.870 0.012 0.000 1.015 45 L CA -0.468 54.376 54.840 0.007 0.000 0.831 45 L CB 1.775 43.836 42.059 0.004 0.000 1.217 45 L HN 0.320 nan 8.230 nan 0.000 0.420 46 V N 6.348 126.271 119.914 0.015 0.000 2.481 46 V HA 0.450 4.570 4.120 0.000 0.000 0.286 46 V C 0.069 176.180 176.094 0.027 0.000 1.042 46 V CA -0.530 61.783 62.300 0.022 0.000 0.928 46 V CB 1.581 33.418 31.823 0.022 0.000 0.986 46 V HN 0.587 nan 8.190 nan 0.000 0.462 47 L N 4.222 125.467 121.223 0.037 0.000 2.313 47 L HA 0.588 4.928 4.340 0.000 0.000 0.283 47 L C 0.001 176.901 176.870 0.050 0.000 1.013 47 L CA -0.326 54.540 54.840 0.042 0.000 0.816 47 L CB 1.778 43.867 42.059 0.050 0.000 1.236 47 L HN 0.633 nan 8.230 nan 0.000 0.419 48 E N 2.429 122.657 120.200 0.046 0.000 2.156 48 E HA 0.321 4.671 4.350 0.000 0.000 0.279 48 E C -0.966 175.656 176.600 0.037 0.000 0.965 48 E CA -0.801 55.627 56.400 0.046 0.000 0.789 48 E CB 1.789 31.526 29.700 0.063 0.000 1.098 48 E HN 0.332 nan 8.360 nan 0.000 0.397 49 V N 4.350 124.283 119.914 0.031 0.000 2.493 49 V HA 0.035 4.155 4.120 0.000 0.000 0.292 49 V C 0.928 177.029 176.094 0.011 0.000 1.016 49 V CA 0.896 63.219 62.300 0.038 0.000 1.097 49 V CB 0.663 32.512 31.823 0.044 0.000 0.947 49 V HN 0.881 nan 8.190 nan 0.000 0.479 50 A N 4.384 127.219 122.820 0.025 0.000 2.013 50 A HA 0.311 4.631 4.320 0.000 0.000 0.204 50 A C 0.725 178.311 177.584 0.004 0.000 1.262 50 A CA 0.262 52.300 52.037 0.001 0.000 0.800 50 A CB 0.345 19.348 19.000 0.005 0.000 0.909 50 A HN 0.774 nan 8.150 nan 0.000 0.472 51 Q N -0.984 118.847 119.800 0.052 0.000 2.418 51 Q HA 0.393 4.733 4.340 0.000 0.000 0.282 51 Q C -1.661 174.463 176.000 0.207 0.000 1.044 51 Q CA -0.579 55.264 55.803 0.068 0.000 0.813 51 Q CB 1.791 30.558 28.738 0.048 0.000 1.428 51 Q HN 0.604 nan 8.270 nan 0.000 0.402 52 H N 1.712 120.776 119.070 -0.011 0.000 2.594 52 H HA 0.236 4.792 4.556 0.000 0.000 0.304 52 H C 0.499 175.828 175.328 0.002 0.000 1.068 52 H CA -0.291 55.754 56.048 -0.005 0.000 1.308 52 H CB 1.130 30.883 29.762 -0.016 0.000 1.409 52 H HN 0.447 nan 8.280 nan 0.000 0.460 53 L N 2.895 124.176 121.223 0.097 0.000 2.446 53 L HA 0.170 4.510 4.340 0.000 0.000 0.219 53 L C 1.201 178.096 176.870 0.042 0.000 1.116 53 L CA 0.494 55.368 54.840 0.056 0.000 0.844 53 L CB 0.028 42.109 42.059 0.037 0.000 0.970 53 L HN 0.902 nan 8.230 nan 0.000 0.457 54 G N 0.155 108.977 108.800 0.037 0.000 2.603 54 G HA2 -0.165 3.795 3.960 0.000 0.000 0.686 54 G HA3 -0.165 3.795 3.960 0.000 0.000 0.686 54 G C -0.113 174.791 174.900 0.007 0.000 1.286 54 G CA -0.506 44.607 45.100 0.022 0.000 0.871 54 G HN 0.294 nan 8.290 nan 0.000 0.568 55 E N -0.846 119.357 120.200 0.005 0.000 2.269 55 E HA -0.224 4.126 4.350 0.000 0.000 0.223 55 E C 1.000 177.600 176.600 0.001 0.000 1.244 55 E CA 0.998 57.399 56.400 0.003 0.000 0.713 55 E CB -1.627 28.075 29.700 0.004 0.000 1.178 55 E HN 1.974 nan 8.360 nan 0.000 0.370 56 S N -2.065 113.629 115.700 -0.010 0.000 3.445 56 S HA -0.203 4.267 4.470 0.000 0.000 0.319 56 S C 0.159 174.773 174.600 0.023 0.000 1.209 56 S CA 1.570 59.767 58.200 -0.005 0.000 0.934 56 S CB -0.909 62.305 63.200 0.024 0.000 0.999 56 S HN 0.482 nan 8.310 nan 0.000 0.582 57 T N 1.474 116.027 114.554 -0.001 0.000 2.807 57 T HA 0.632 4.982 4.350 0.000 0.000 0.279 57 T C 0.212 174.918 174.700 0.009 0.000 0.993 57 T CA -0.316 61.802 62.100 0.030 0.000 0.970 57 T CB 1.860 70.739 68.868 0.018 0.000 0.950 57 T HN 0.498 nan 8.240 nan 0.000 0.441 58 V N 1.382 121.332 119.914 0.061 0.000 2.769 58 V HA 0.774 4.894 4.120 0.000 0.000 0.312 58 V C -0.288 175.854 176.094 0.080 0.000 1.058 58 V CA -1.396 60.941 62.300 0.061 0.000 0.952 58 V CB 1.722 33.583 31.823 0.064 0.000 1.019 58 V HN 0.841 nan 8.190 nan 0.000 0.445 59 R N 2.015 122.562 120.500 0.078 0.000 2.338 59 R HA 0.719 5.059 4.340 0.000 0.000 0.317 59 R C -0.157 176.177 176.300 0.058 0.000 0.968 59 R CA 0.309 56.443 56.100 0.057 0.000 0.849 59 R CB 1.488 31.814 30.300 0.043 0.000 1.128 59 R HN 1.194 nan 8.270 nan 0.000 0.448 60 T N 1.306 115.889 114.554 0.048 0.000 2.916 60 T HA 0.563 4.913 4.350 0.000 0.000 0.292 60 T C -0.203 174.514 174.700 0.028 0.000 1.064 60 T CA -0.847 61.280 62.100 0.045 0.000 1.011 60 T CB 1.152 70.056 68.868 0.061 0.000 1.152 60 T HN 0.434 nan 8.240 nan 0.000 0.510 61 I N 1.817 122.402 120.570 0.024 0.000 2.389 61 I HA 0.578 4.748 4.170 0.000 0.000 0.288 61 I C 0.597 176.724 176.117 0.018 0.000 0.999 61 I CA -1.196 60.112 61.300 0.014 0.000 1.129 61 I CB 1.605 39.609 38.000 0.006 0.000 1.288 61 I HN 0.965 nan 8.210 nan 0.000 0.444 62 A N 7.023 129.850 122.820 0.011 0.000 2.388 62 A HA 0.420 4.740 4.320 0.000 0.000 0.257 62 A C 0.790 178.380 177.584 0.010 0.000 1.095 62 A CA -0.240 51.804 52.037 0.012 0.000 0.791 62 A CB 0.451 19.455 19.000 0.007 0.000 1.029 62 A HN 0.760 nan 8.150 nan 0.000 0.489 63 M N 0.812 120.420 119.600 0.014 0.000 2.495 63 M HA 0.181 4.661 4.480 0.000 0.000 0.237 63 M C -0.086 176.220 176.300 0.010 0.000 1.131 63 M CA 0.622 55.930 55.300 0.013 0.000 1.032 63 M CB -0.960 31.651 32.600 0.019 0.000 1.513 63 M HN 0.806 nan 8.290 nan 0.000 0.488 64 D N -1.238 119.167 120.400 0.008 0.000 2.759 64 D HA 0.438 5.079 4.640 0.000 0.000 0.321 64 D C -0.543 175.758 176.300 0.003 0.000 1.267 64 D CA -0.209 53.795 54.000 0.006 0.000 0.933 64 D CB 1.186 41.990 40.800 0.007 0.000 1.431 64 D HN 0.107 nan 8.370 nan 0.000 0.504 65 G N -0.848 107.953 108.800 0.002 0.000 2.484 65 G HA2 0.330 4.290 3.960 0.000 0.000 0.235 65 G HA3 0.330 4.290 3.960 0.000 0.000 0.235 65 G C 0.850 175.749 174.900 -0.001 0.000 1.282 65 G CA 0.626 45.726 45.100 0.000 0.000 0.857 65 G HN 0.400 nan 8.290 nan 0.000 0.571 66 T N -1.311 113.242 114.554 -0.002 0.000 3.069 66 T HA 0.132 4.482 4.350 0.000 0.000 0.252 66 T C 0.796 175.493 174.700 -0.005 0.000 1.053 66 T CA 0.062 62.160 62.100 -0.003 0.000 0.964 66 T CB 0.033 68.899 68.868 -0.004 0.000 1.005 66 T HN 0.656 nan 8.240 nan 0.000 0.532 67 E N 2.049 122.246 120.200 -0.004 0.000 2.452 67 E HA 0.257 4.607 4.350 0.000 0.000 0.261 67 E C 1.163 177.760 176.600 -0.005 0.000 0.987 67 E CA 0.789 57.186 56.400 -0.005 0.000 0.926 67 E CB 0.037 29.735 29.700 -0.004 0.000 0.934 67 E HN 0.491 nan 8.360 nan 0.000 0.452 68 G N 2.762 111.558 108.800 -0.007 0.000 2.195 68 G HA2 -0.260 3.700 3.960 0.000 0.000 0.246 68 G HA3 -0.260 3.700 3.960 0.000 0.000 0.246 68 G C 0.313 175.207 174.900 -0.010 0.000 0.984 68 G CA 0.176 45.271 45.100 -0.008 0.000 0.633 68 G HN 0.485 nan 8.290 nan 0.000 0.525 69 L N 0.929 122.145 121.223 -0.011 0.000 2.426 69 L HA 0.538 4.878 4.340 0.000 0.000 0.271 69 L C 0.566 177.426 176.870 -0.016 0.000 1.169 69 L CA -0.433 54.398 54.840 -0.014 0.000 0.836 69 L CB 1.279 43.330 42.059 -0.013 0.000 1.112 69 L HN -0.003 nan 8.230 nan 0.000 0.465 70 V N 2.954 122.856 119.914 -0.020 0.000 2.769 70 V HA 0.387 4.507 4.120 0.000 0.000 0.312 70 V C 0.055 176.132 176.094 -0.028 0.000 1.061 70 V CA -0.981 61.306 62.300 -0.022 0.000 0.931 70 V CB 2.030 33.840 31.823 -0.021 0.000 1.010 70 V HN 0.676 nan 8.190 nan 0.000 0.433 71 R N 2.043 122.527 120.500 -0.027 0.000 2.522 71 R HA 0.411 4.751 4.340 0.000 0.000 0.284 71 R C 1.264 177.541 176.300 -0.038 0.000 1.032 71 R CA 1.055 57.135 56.100 -0.033 0.000 1.049 71 R CB 0.085 30.369 30.300 -0.027 0.000 0.956 71 R HN 1.217 nan 8.270 nan 0.000 0.422 72 G N 1.667 110.436 108.800 -0.051 0.000 2.194 72 G HA2 -0.316 3.644 3.960 0.000 0.000 0.236 72 G HA3 -0.316 3.644 3.960 0.000 0.000 0.236 72 G C 0.158 175.020 174.900 -0.063 0.000 0.987 72 G CA -0.009 45.057 45.100 -0.057 0.000 0.635 72 G HN 0.600 nan 8.290 nan 0.000 0.520 73 Q N 1.244 121.009 119.800 -0.058 0.000 2.337 73 Q HA 0.405 4.745 4.340 0.000 0.000 0.270 73 Q C 0.224 176.178 176.000 -0.077 0.000 1.002 73 Q CA -0.097 55.672 55.803 -0.056 0.000 0.888 73 Q CB 0.431 29.143 28.738 -0.043 0.000 1.222 73 Q HN 0.152 nan 8.270 nan 0.000 0.400 74 K N 2.311 122.668 120.400 -0.071 0.000 2.270 74 K HA 0.312 4.632 4.320 0.000 0.000 0.276 74 K C -0.939 175.611 176.600 -0.082 0.000 1.023 74 K CA -0.243 55.991 56.287 -0.089 0.000 0.955 74 K CB 1.274 33.736 32.500 -0.064 0.000 0.975 74 K HN 0.419 nan 8.250 nan 0.000 0.471 75 V N 4.051 123.897 119.914 -0.114 0.000 2.686 75 V HA 0.388 4.508 4.120 0.000 0.000 0.306 75 V C -0.295 175.795 176.094 -0.006 0.000 1.065 75 V CA -0.898 61.362 62.300 -0.065 0.000 0.894 75 V CB 1.938 33.705 31.823 -0.093 0.000 1.004 75 V HN 0.534 nan 8.190 nan 0.000 0.424 76 L N 2.806 124.065 121.223 0.060 0.000 2.331 76 L HA 0.596 4.936 4.340 0.000 0.000 0.275 76 L C -0.458 176.505 176.870 0.154 0.000 1.022 76 L CA -0.616 54.290 54.840 0.110 0.000 0.812 76 L CB 1.901 43.993 42.059 0.054 0.000 1.257 76 L HN 0.584 nan 8.230 nan 0.000 0.435 77 D N 0.475 120.980 120.400 0.175 0.000 2.316 77 D HA 0.070 4.710 4.640 0.000 0.000 0.245 77 D C 0.996 177.314 176.300 0.032 0.000 1.171 77 D CA -0.160 53.890 54.000 0.084 0.000 0.856 77 D CB 1.533 42.332 40.800 -0.002 0.000 1.090 77 D HN 0.523 nan 8.370 nan 0.000 0.476 78 S N 2.608 118.317 115.700 0.015 0.000 2.522 78 S HA 0.103 4.573 4.470 0.000 0.000 0.227 78 S C 1.676 176.265 174.600 -0.019 0.000 0.986 78 S CA 0.494 58.690 58.200 -0.007 0.000 0.929 78 S CB -0.266 62.926 63.200 -0.014 0.000 0.769 78 S HN 0.898 nan 8.310 nan 0.000 0.529 79 G N 0.260 109.046 108.800 -0.022 0.000 2.143 79 G HA2 0.121 4.081 3.960 0.000 0.000 0.248 79 G HA3 0.121 4.081 3.960 0.000 0.000 0.248 79 G C 0.117 175.001 174.900 -0.026 0.000 0.991 79 G CA -0.088 44.994 45.100 -0.029 0.000 0.689 79 G HN 1.635 nan 8.290 nan 0.000 0.522 80 A N -1.227 121.580 122.820 -0.021 0.000 2.608 80 A HA 0.877 5.197 4.320 0.000 0.000 0.292 80 A C -2.977 174.609 177.584 0.003 0.000 1.066 80 A CA -0.667 51.363 52.037 -0.012 0.000 0.676 80 A CB 1.172 20.162 19.000 -0.016 0.000 1.277 80 A HN 0.109 nan 8.150 nan 0.000 0.413 81 P HA 0.344 nan 4.420 nan 0.000 0.274 81 P C -0.264 177.073 177.300 0.063 0.000 1.260 81 P CA -0.285 62.853 63.100 0.065 0.000 0.793 81 P CB 0.205 31.982 31.700 0.128 0.000 1.048 82 I N 0.761 121.383 120.570 0.087 0.000 2.919 82 I HA -0.118 4.052 4.170 0.000 0.000 0.299 82 I C 1.134 177.275 176.117 0.040 0.000 1.221 82 I CA 1.086 62.417 61.300 0.051 0.000 1.424 82 I CB -0.311 37.719 38.000 0.050 0.000 1.358 82 I HN 0.130 nan 8.210 nan 0.000 0.551 83 R N 7.269 127.781 120.500 0.019 0.000 2.562 83 R HA 0.737 5.077 4.340 0.000 0.000 0.298 83 R C -0.693 175.664 176.300 0.094 0.000 0.961 83 R CA -0.821 55.304 56.100 0.043 0.000 0.881 83 R CB 2.063 32.360 30.300 -0.006 0.000 1.159 83 R HN 0.606 nan 8.270 nan 0.000 0.450 84 I N -1.185 119.485 120.570 0.167 0.000 2.785 84 I HA 0.625 4.795 4.170 0.000 0.000 0.302 84 I C -2.658 173.597 176.117 0.230 0.000 1.069 84 I CA -3.352 58.063 61.300 0.191 0.000 1.045 84 I CB 2.348 40.382 38.000 0.056 0.000 1.236 84 I HN 0.305 nan 8.210 nan 0.000 0.429 85 P HA 0.145 nan 4.420 nan 0.000 0.264 85 P C -0.748 176.355 177.300 -0.328 0.000 1.193 85 P CA -0.051 62.852 63.100 -0.329 0.000 0.763 85 P CB 0.721 32.282 31.700 -0.233 0.000 0.810 86 V N 0.659 120.269 119.914 -0.507 0.000 2.876 86 V HA 1.026 5.146 4.120 0.000 0.000 0.312 86 V C 0.034 175.503 176.094 -1.042 0.000 1.085 86 V CA -0.222 61.678 62.300 -0.666 0.000 0.945 86 V CB 1.559 33.040 31.823 -0.570 0.000 1.017 86 V HN 0.921 nan 8.190 nan 0.000 0.428 87 G N 3.196 111.209 108.800 -1.312 0.000 2.343 87 G HA2 0.165 4.125 3.960 0.000 0.000 0.465 87 G HA3 0.165 4.125 3.960 0.000 0.000 0.465 87 G C -2.769 171.873 174.900 -0.430 0.000 1.282 87 G CA -0.004 44.414 45.100 -1.138 0.000 0.996 87 G HN 0.598 nan 8.290 nan 0.000 0.521 88 P HA -0.017 nan 4.420 nan 0.000 0.218 88 P C 1.430 178.726 177.300 -0.007 0.000 1.148 88 P CA 1.809 64.930 63.100 0.035 0.000 0.822 88 P CB 0.099 31.823 31.700 0.039 0.000 0.784 89 E N -0.768 119.387 120.200 -0.074 0.000 2.494 89 E HA -0.027 4.323 4.350 0.000 0.000 0.193 89 E C 1.032 177.602 176.600 -0.050 0.000 1.074 89 E CA 0.934 57.300 56.400 -0.056 0.000 0.867 89 E CB -1.237 28.419 29.700 -0.072 0.000 0.924 89 E HN 0.334 nan 8.360 nan 0.000 0.502 90 T N -1.173 113.352 114.554 -0.047 0.000 3.067 90 T HA 0.105 4.455 4.350 0.000 0.000 0.261 90 T C 1.124 175.862 174.700 0.064 0.000 1.110 90 T CA -0.164 61.933 62.100 -0.005 0.000 1.113 90 T CB -0.291 68.561 68.868 -0.028 0.000 0.917 90 T HN 0.046 nan 8.240 nan 0.000 0.499 91 L N 1.877 123.144 121.223 0.072 0.000 2.410 91 L HA 0.481 4.821 4.340 0.000 0.000 0.273 91 L C 1.687 178.595 176.870 0.063 0.000 1.152 91 L CA 0.715 55.589 54.840 0.057 0.000 0.855 91 L CB 0.265 42.322 42.059 -0.003 0.000 1.129 91 L HN 0.521 nan 8.230 nan 0.000 0.463 92 G N 1.820 110.671 108.800 0.086 0.000 2.199 92 G HA2 -0.212 3.748 3.960 0.000 0.000 0.254 92 G HA3 -0.212 3.748 3.960 0.000 0.000 0.254 92 G C 0.372 175.355 174.900 0.138 0.000 0.982 92 G CA -0.365 44.798 45.100 0.105 0.000 0.632 92 G HN 0.463 nan 8.290 nan 0.000 0.529 93 R N -0.056 120.505 120.500 0.102 0.000 2.643 93 R HA 0.762 5.102 4.340 0.000 0.000 0.272 93 R C 0.314 176.648 176.300 0.057 0.000 0.995 93 R CA -0.903 55.240 56.100 0.071 0.000 1.032 93 R CB 0.812 31.134 30.300 0.037 0.000 1.126 93 R HN 0.334 nan 8.270 nan 0.000 0.505 94 I N 2.888 123.449 120.570 -0.015 0.000 2.404 94 I HA 0.424 4.594 4.170 0.000 0.000 0.293 94 I C 0.486 176.608 176.117 0.009 0.000 0.992 94 I CA -0.729 60.565 61.300 -0.009 0.000 1.149 94 I CB 1.478 39.385 38.000 -0.155 0.000 1.315 94 I HN 0.398 nan 8.210 nan 0.000 0.446 95 M N 4.979 124.610 119.600 0.051 0.000 2.662 95 M HA 0.532 5.012 4.480 0.000 0.000 0.310 95 M C -0.999 175.337 176.300 0.060 0.000 1.204 95 M CA -0.658 54.666 55.300 0.039 0.000 0.891 95 M CB 2.113 34.729 32.600 0.026 0.000 1.732 95 M HN 0.656 nan 8.290 nan 0.000 0.467 96 N N 0.658 119.385 118.700 0.044 0.000 2.495 96 N HA 0.391 5.131 4.740 0.000 0.000 0.294 96 N C 0.920 176.450 175.510 0.033 0.000 1.276 96 N CA -0.641 52.439 53.050 0.049 0.000 0.973 96 N CB 0.948 39.458 38.487 0.038 0.000 1.143 96 N HN 0.662 nan 8.380 nan 0.000 0.589 97 V N -1.658 118.274 119.914 0.029 0.000 2.380 97 V HA -0.224 3.896 4.120 0.000 0.000 0.251 97 V C 1.917 178.018 176.094 0.012 0.000 1.063 97 V CA 1.740 64.049 62.300 0.016 0.000 1.055 97 V CB -1.293 30.540 31.823 0.016 0.000 0.657 97 V HN 0.744 nan 8.190 nan 0.000 0.455 98 I N -1.804 118.777 120.570 0.018 0.000 3.855 98 I HA 0.688 4.858 4.170 0.000 0.000 0.327 98 I C 1.388 177.523 176.117 0.030 0.000 1.359 98 I CA 0.365 61.677 61.300 0.020 0.000 1.142 98 I CB -0.361 37.650 38.000 0.018 0.000 1.041 98 I HN 0.404 nan 8.210 nan 0.000 0.403 99 G N 1.274 110.093 108.800 0.031 0.000 2.153 99 G HA2 -0.270 3.690 3.960 0.000 0.000 0.252 99 G HA3 -0.270 3.690 3.960 0.000 0.000 0.252 99 G C -0.118 174.811 174.900 0.048 0.000 0.994 99 G CA 0.084 45.210 45.100 0.043 0.000 0.698 99 G HN 0.678 nan 8.290 nan 0.000 0.521 100 E N 1.624 121.845 120.200 0.036 0.000 2.313 100 E HA 0.328 4.678 4.350 0.000 0.000 0.276 100 E C -2.104 174.508 176.600 0.021 0.000 1.031 100 E CA -1.757 54.661 56.400 0.030 0.000 0.857 100 E CB 1.087 30.800 29.700 0.021 0.000 1.040 100 E HN 0.197 nan 8.360 nan 0.000 0.408 101 P HA -0.023 nan 4.420 nan 0.000 0.267 101 P C 0.053 177.347 177.300 -0.010 0.000 1.205 101 P CA 0.560 63.661 63.100 0.003 0.000 0.765 101 P CB 0.192 31.895 31.700 0.005 0.000 0.828 102 I N -0.170 120.382 120.570 -0.030 0.000 3.707 102 I HA 0.272 4.442 4.170 0.000 0.000 0.330 102 I C 0.024 176.081 176.117 -0.100 0.000 1.572 102 I CA -0.318 60.952 61.300 -0.049 0.000 1.104 102 I CB 0.050 38.027 38.000 -0.039 0.000 1.240 102 I HN 0.026 nan 8.210 nan 0.000 0.475 103 D N 0.121 120.463 120.400 -0.096 0.000 2.431 103 D HA 0.049 4.689 4.640 0.000 0.000 0.213 103 D C 0.451 176.731 176.300 -0.033 0.000 1.130 103 D CA -0.193 53.728 54.000 -0.130 0.000 0.834 103 D CB -0.073 40.621 40.800 -0.176 0.000 0.985 103 D HN 0.462 nan 8.370 nan 0.000 0.504 104 E N -0.164 120.026 120.200 -0.016 0.000 2.791 104 E HA -0.250 4.100 4.350 0.000 0.000 0.271 104 E C 0.221 176.833 176.600 0.021 0.000 1.044 104 E CA 0.357 56.762 56.400 0.007 0.000 0.814 104 E CB -1.140 28.570 29.700 0.016 0.000 1.400 104 E HN 0.416 nan 8.360 nan 0.000 0.423 105 R N -0.022 120.490 120.500 0.020 0.000 2.546 105 R HA 0.305 4.645 4.340 0.000 0.000 0.320 105 R C 0.900 177.213 176.300 0.021 0.000 1.021 105 R CA 0.283 56.400 56.100 0.029 0.000 1.088 105 R CB 1.157 31.482 30.300 0.042 0.000 1.278 105 R HN 0.287 nan 8.270 nan 0.000 0.557 106 G N 2.060 110.869 108.800 0.016 0.000 2.681 106 G HA2 -0.227 3.733 3.960 0.000 0.000 0.220 106 G HA3 -0.227 3.733 3.960 0.000 0.000 0.220 106 G C -2.526 172.383 174.900 0.015 0.000 1.353 106 G CA -1.225 43.884 45.100 0.015 0.000 0.872 106 G HN 0.045 nan 8.290 nan 0.000 0.557 107 P HA 0.380 nan 4.420 nan 0.000 0.267 107 P C 0.130 177.436 177.300 0.011 0.000 1.200 107 P CA -0.042 63.072 63.100 0.022 0.000 0.772 107 P CB 0.309 32.025 31.700 0.027 0.000 0.855 108 I N 3.030 123.605 120.570 0.008 0.000 2.268 108 I HA 0.107 4.277 4.170 0.000 0.000 0.290 108 I C 0.912 176.995 176.117 -0.057 0.000 1.125 108 I CA -0.389 60.895 61.300 -0.027 0.000 1.236 108 I CB -0.103 37.874 38.000 -0.038 0.000 1.469 108 I HN 0.178 nan 8.210 nan 0.000 0.512 109 K N 4.430 124.799 120.400 -0.052 0.000 2.278 109 K HA 0.198 4.518 4.320 0.000 0.000 0.237 109 K C 0.262 176.784 176.600 -0.130 0.000 1.229 109 K CA -0.364 55.886 56.287 -0.062 0.000 1.155 109 K CB -0.734 31.753 32.500 -0.022 0.000 1.590 109 K HN 0.520 nan 8.250 nan 0.000 0.290 110 T N -1.166 113.238 114.554 -0.251 0.000 2.868 110 T HA 0.134 4.484 4.350 0.000 0.000 0.292 110 T C 0.854 175.366 174.700 -0.314 0.000 1.028 110 T CA -0.643 61.250 62.100 -0.345 0.000 1.059 110 T CB 1.485 70.019 68.868 -0.557 0.000 0.991 110 T HN 0.398 nan 8.240 nan 0.000 0.531 111 K N 0.416 120.665 120.400 -0.250 0.000 2.361 111 K HA 0.084 4.404 4.320 0.000 0.000 0.196 111 K C 0.258 176.764 176.600 -0.157 0.000 1.039 111 K CA 0.547 56.746 56.287 -0.147 0.000 1.001 111 K CB 0.183 32.638 32.500 -0.077 0.000 0.795 111 K HN 0.591 nan 8.250 nan 0.000 0.495 112 Q N -0.870 118.748 119.800 -0.304 0.000 2.423 112 Q HA 0.477 4.817 4.340 0.000 0.000 0.278 112 Q C -1.102 174.612 176.000 -0.477 0.000 1.097 112 Q CA -0.593 55.077 55.803 -0.223 0.000 0.809 112 Q CB 1.600 30.272 28.738 -0.111 0.000 1.391 112 Q HN -0.110 nan 8.270 nan 0.000 0.428 113 F N 0.034 119.943 119.950 -0.069 0.000 2.598 113 F HA 0.926 5.453 4.527 0.000 0.000 0.327 113 F C -0.342 175.428 175.800 -0.049 0.000 1.057 113 F CA -0.974 56.983 58.000 -0.072 0.000 0.957 113 F CB 1.994 40.965 39.000 -0.048 0.000 1.278 113 F HN 0.587 nan 8.300 nan 0.000 0.484 114 A N 0.689 123.598 122.820 0.148 0.000 2.486 114 A HA 0.813 5.133 4.320 0.000 0.000 0.300 114 A C -1.218 176.410 177.584 0.073 0.000 1.048 114 A CA -0.709 51.378 52.037 0.083 0.000 0.696 114 A CB 0.959 19.982 19.000 0.038 0.000 1.278 114 A HN 1.032 nan 8.150 nan 0.000 0.405 115 A N 1.154 124.010 122.820 0.061 0.000 2.425 115 A HA 0.472 4.792 4.320 0.000 0.000 0.249 115 A C 1.084 178.682 177.584 0.023 0.000 1.084 115 A CA 0.219 52.289 52.037 0.056 0.000 0.781 115 A CB -0.382 18.663 19.000 0.074 0.000 1.019 115 A HN 1.702 nan 8.150 nan 0.000 0.490 116 I N -0.865 119.692 120.570 -0.021 0.000 3.111 116 I HA 0.053 4.223 4.170 0.000 0.000 0.272 116 I C 0.111 176.073 176.117 -0.258 0.000 1.268 116 I CA 0.380 61.595 61.300 -0.141 0.000 1.467 116 I CB -0.331 37.554 38.000 -0.192 0.000 1.087 116 I HN 0.488 nan 8.210 nan 0.000 0.467 117 H N 2.675 121.752 119.070 0.011 0.000 2.519 117 H HA 0.764 5.320 4.556 -0.000 0.000 0.316 117 H C -0.461 174.870 175.328 0.005 0.000 1.065 117 H CA -0.299 55.754 56.048 0.009 0.000 1.264 117 H CB 1.510 31.277 29.762 0.009 0.000 1.413 117 H HN 0.392 nan 8.280 nan 0.000 0.465 118 A N 3.473 126.347 122.820 0.089 0.000 2.515 118 A HA 0.386 4.706 4.320 0.000 0.000 0.296 118 A C -0.286 177.326 177.584 0.047 0.000 1.094 118 A CA -0.909 51.160 52.037 0.054 0.000 0.718 118 A CB 1.831 20.845 19.000 0.023 0.000 1.307 118 A HN 0.675 nan 8.150 nan 0.000 0.408 119 E N 0.895 121.115 120.200 0.034 0.000 2.343 119 E HA 0.452 4.802 4.350 0.000 0.000 0.269 119 E C 0.322 176.933 176.600 0.019 0.000 1.047 119 E CA -0.260 56.157 56.400 0.028 0.000 0.874 119 E CB 1.435 31.149 29.700 0.024 0.000 1.033 119 E HN 0.795 nan 8.360 nan 0.000 0.409 120 A N 4.180 127.012 122.820 0.019 0.000 2.531 120 A HA 0.156 4.476 4.320 0.000 0.000 0.236 120 A C -2.059 175.534 177.584 0.015 0.000 1.062 120 A CA -0.938 51.106 52.037 0.012 0.000 0.760 120 A CB -0.544 18.467 19.000 0.019 0.000 0.995 120 A HN 0.335 nan 8.150 nan 0.000 0.501 121 P HA 0.024 nan 4.420 nan 0.000 0.263 121 P C -0.023 177.292 177.300 0.025 0.000 1.175 121 P CA 0.402 63.505 63.100 0.006 0.000 0.761 121 P CB 0.406 32.100 31.700 -0.010 0.000 0.794 122 E N 1.886 122.105 120.200 0.032 0.000 2.371 122 E HA 0.007 4.357 4.350 0.000 0.000 0.257 122 E C 0.887 177.541 176.600 0.090 0.000 1.134 122 E CA -0.296 56.146 56.400 0.071 0.000 0.919 122 E CB 0.195 29.936 29.700 0.068 0.000 1.025 122 E HN 0.401 nan 8.360 nan 0.000 0.438 123 F N 2.019 121.969 119.950 0.001 0.000 2.120 123 F HA -0.264 4.263 4.527 -0.000 0.000 0.300 123 F C 1.904 177.704 175.800 -0.001 0.000 1.095 123 F CA 1.992 59.992 58.000 0.000 0.000 1.249 123 F CB -0.258 38.743 39.000 0.001 0.000 0.995 123 F HN 0.274 nan 8.300 nan 0.000 0.480 124 V N -1.764 118.175 119.914 0.041 0.000 2.867 124 V HA -0.221 3.899 4.120 0.000 0.000 0.260 124 V C 1.510 177.532 176.094 -0.119 0.000 1.099 124 V CA 2.054 64.322 62.300 -0.052 0.000 1.122 124 V CB -1.153 30.695 31.823 0.042 0.000 0.708 124 V HN 0.485 nan 8.190 nan 0.000 0.490 125 E N -0.207 119.931 120.200 -0.104 0.000 2.479 125 E HA 0.193 4.543 4.350 0.000 0.000 0.193 125 E C 0.553 177.080 176.600 -0.122 0.000 1.049 125 E CA -0.283 56.064 56.400 -0.087 0.000 0.870 125 E CB 0.036 29.708 29.700 -0.046 0.000 0.944 125 E HN 0.459 nan 8.360 nan 0.000 0.492 126 M N 1.121 120.597 119.600 -0.207 0.000 2.238 126 M HA 0.095 4.575 4.480 0.000 0.000 0.347 126 M C 0.379 176.579 176.300 -0.168 0.000 1.173 126 M CA 0.185 55.364 55.300 -0.203 0.000 1.147 126 M CB 1.012 33.424 32.600 -0.313 0.000 1.547 126 M HN -0.156 nan 8.290 nan 0.000 0.455 127 S N 1.511 117.144 115.700 -0.112 0.000 2.489 127 S HA 0.512 4.982 4.470 0.000 0.000 0.291 127 S C 0.617 175.172 174.600 -0.075 0.000 1.151 127 S CA -0.869 57.281 58.200 -0.084 0.000 1.082 127 S CB 0.813 63.979 63.200 -0.056 0.000 1.019 127 S HN 0.568 nan 8.310 nan 0.000 0.492 128 V N 1.286 121.162 119.914 -0.065 0.000 3.542 128 V HA 0.472 4.592 4.120 0.000 0.000 0.296 128 V C 0.251 176.328 176.094 -0.029 0.000 1.364 128 V CA -0.334 61.938 62.300 -0.046 0.000 1.118 128 V CB -0.383 31.414 31.823 -0.044 0.000 0.972 128 V HN 0.659 nan 8.190 nan 0.000 0.430 129 E N 2.466 122.649 120.200 -0.027 0.000 2.351 129 E HA 0.276 4.627 4.350 0.000 0.000 0.266 129 E C -0.384 176.210 176.600 -0.009 0.000 1.031 129 E CA 0.575 56.965 56.400 -0.017 0.000 0.911 129 E CB 0.806 30.496 29.700 -0.016 0.000 0.986 129 E HN 0.674 nan 8.360 nan 0.000 0.446 130 Q N 2.655 122.453 119.800 -0.004 0.000 2.464 130 Q HA 0.294 4.635 4.340 0.000 0.000 0.256 130 Q C -0.635 175.370 176.000 0.008 0.000 1.020 130 Q CA -0.213 55.592 55.803 0.004 0.000 0.716 130 Q CB 1.711 30.451 28.738 0.002 0.000 1.230 130 Q HN 0.398 nan 8.270 nan 0.000 0.494 131 E N 2.431 122.640 120.200 0.015 0.000 2.222 131 E HA 0.393 4.743 4.350 0.000 0.000 0.267 131 E C -0.995 175.626 176.600 0.035 0.000 0.884 131 E CA -0.770 55.642 56.400 0.020 0.000 0.764 131 E CB 2.042 31.753 29.700 0.018 0.000 1.169 131 E HN 0.531 nan 8.360 nan 0.000 0.413 132 I N 4.222 124.814 120.570 0.037 0.000 2.648 132 I HA 0.014 4.184 4.170 0.000 0.000 0.284 132 I C -0.827 175.330 176.117 0.067 0.000 1.153 132 I CA -0.128 61.204 61.300 0.053 0.000 1.426 132 I CB 0.415 38.444 38.000 0.048 0.000 1.381 132 I HN 0.415 nan 8.210 nan 0.000 0.571 133 L N 9.097 130.376 121.223 0.093 0.000 2.301 133 L HA 0.381 4.721 4.340 0.000 0.000 0.278 133 L C -0.787 176.137 176.870 0.090 0.000 1.022 133 L CA -0.339 54.564 54.840 0.105 0.000 0.854 133 L CB 1.087 43.232 42.059 0.143 0.000 1.226 133 L HN 0.323 nan 8.230 nan 0.000 0.429 134 V N 4.523 124.476 119.914 0.064 0.000 2.521 134 V HA 0.146 4.266 4.120 0.000 0.000 0.286 134 V C 1.503 177.614 176.094 0.028 0.000 1.034 134 V CA 0.737 63.060 62.300 0.038 0.000 1.045 134 V CB 0.810 32.658 31.823 0.041 0.000 0.974 134 V HN 0.936 nan 8.190 nan 0.000 0.480 135 T N 0.310 114.856 114.554 -0.014 0.000 3.037 135 T HA 0.244 4.594 4.350 0.000 0.000 0.252 135 T C 1.496 176.177 174.700 -0.033 0.000 1.073 135 T CA 0.719 62.807 62.100 -0.019 0.000 1.091 135 T CB 0.407 69.225 68.868 -0.084 0.000 0.935 135 T HN 1.439 nan 8.240 nan 0.000 0.488 136 G N 1.708 110.492 108.800 -0.027 0.000 2.179 136 G HA2 -0.213 3.747 3.960 0.000 0.000 0.260 136 G HA3 -0.213 3.747 3.960 0.000 0.000 0.260 136 G C 0.029 174.918 174.900 -0.019 0.000 0.977 136 G CA 0.173 45.262 45.100 -0.020 0.000 0.641 136 G HN 0.672 nan 8.290 nan 0.000 0.533 137 I N 1.034 121.585 120.570 -0.031 0.000 2.312 137 I HA 0.230 4.400 4.170 0.000 0.000 0.291 137 I C 1.647 177.766 176.117 0.004 0.000 1.031 137 I CA -0.684 60.631 61.300 0.025 0.000 1.293 137 I CB 1.193 39.218 38.000 0.041 0.000 1.403 137 I HN -0.001 nan 8.210 nan 0.000 0.484 138 K N 3.913 124.325 120.400 0.019 0.000 2.020 138 K HA -0.195 4.125 4.320 0.000 0.000 0.212 138 K C 1.873 178.441 176.600 -0.053 0.000 1.050 138 K CA 1.854 58.142 56.287 0.001 0.000 0.929 138 K CB -0.266 32.239 32.500 0.009 0.000 0.714 138 K HN 0.671 nan 8.250 nan 0.000 0.443 139 V N -0.241 119.650 119.914 -0.038 0.000 2.332 139 V HA -0.233 3.887 4.120 0.000 0.000 0.248 139 V C 2.285 178.329 176.094 -0.083 0.000 1.055 139 V CA 1.739 63.994 62.300 -0.075 0.000 1.038 139 V CB -1.023 30.794 31.823 -0.010 0.000 0.651 139 V HN 0.035 nan 8.190 nan 0.000 0.450 140 V N 0.862 120.726 119.914 -0.084 0.000 2.244 140 V HA -0.194 3.926 4.120 0.000 0.000 0.244 140 V C 2.522 178.520 176.094 -0.160 0.000 1.042 140 V CA 2.388 64.581 62.300 -0.178 0.000 1.006 140 V CB -0.875 30.719 31.823 -0.382 0.000 0.641 140 V HN 0.472 nan 8.190 nan 0.000 0.446 141 D N -0.120 120.205 120.400 -0.125 0.000 2.149 141 D HA -0.161 4.479 4.640 0.000 0.000 0.198 141 D C 1.896 178.227 176.300 0.052 0.000 0.990 141 D CA 1.214 55.192 54.000 -0.037 0.000 0.839 141 D CB -0.230 40.554 40.800 -0.026 0.000 0.948 141 D HN 0.334 nan 8.370 nan 0.000 0.460 142 L N -0.290 120.903 121.223 -0.049 0.000 2.023 142 L HA -0.017 4.323 4.340 0.000 0.000 0.205 142 L C 2.054 178.962 176.870 0.063 0.000 1.073 142 L CA 1.372 56.157 54.840 -0.092 0.000 0.745 142 L CB -0.084 41.775 42.059 -0.333 0.000 0.900 142 L HN -0.017 nan 8.230 nan 0.000 0.435 143 L N -1.338 119.865 121.223 -0.034 0.000 2.388 143 L HA 0.315 4.655 4.340 0.000 0.000 0.209 143 L C 0.768 177.642 176.870 0.008 0.000 1.061 143 L CA 0.478 55.298 54.840 -0.033 0.000 0.834 143 L CB -0.088 41.921 42.059 -0.084 0.000 1.029 143 L HN 0.219 nan 8.230 nan 0.000 0.473 144 A N 0.665 123.494 122.820 0.015 0.000 3.370 144 A HA 0.451 4.771 4.320 0.000 0.000 0.295 144 A C -2.616 174.996 177.584 0.046 0.000 1.030 144 A CA -0.972 51.096 52.037 0.052 0.000 0.883 144 A CB -0.224 18.830 19.000 0.090 0.000 1.191 144 A HN -0.142 nan 8.150 nan 0.000 0.507 145 P HA 0.083 nan 4.420 nan 0.000 0.269 145 P C -0.527 176.859 177.300 0.144 0.000 1.209 145 P CA 0.521 63.624 63.100 0.005 0.000 0.776 145 P CB 0.378 32.093 31.700 0.025 0.000 0.876 146 Y N 0.345 120.675 120.300 0.050 0.000 2.300 146 Y HA 0.439 4.989 4.550 0.000 0.000 0.328 146 Y C 1.140 177.057 175.900 0.028 0.000 1.270 146 Y CA -1.246 56.877 58.100 0.039 0.000 1.352 146 Y CB 0.899 39.383 38.460 0.040 0.000 1.286 146 Y HN 0.386 nan 8.280 nan 0.000 0.536 147 A N 2.264 125.196 122.820 0.186 0.000 2.355 147 A HA 0.452 4.772 4.320 0.000 0.000 0.324 147 A C -0.967 176.658 177.584 0.069 0.000 1.117 147 A CA -1.131 50.965 52.037 0.098 0.000 0.785 147 A CB 0.883 19.920 19.000 0.061 0.000 1.254 147 A HN 0.753 nan 8.150 nan 0.000 0.453 148 K N 0.605 121.040 120.400 0.057 0.000 2.451 148 K HA 0.357 4.677 4.320 0.000 0.000 0.280 148 K C 1.135 177.745 176.600 0.018 0.000 1.020 148 K CA 1.173 57.487 56.287 0.044 0.000 1.008 148 K CB 0.342 32.870 32.500 0.047 0.000 0.917 148 K HN 1.520 nan 8.250 nan 0.000 0.478 149 G N 2.004 110.805 108.800 0.002 0.000 2.166 149 G HA2 -0.267 3.693 3.960 0.000 0.000 0.260 149 G HA3 -0.267 3.693 3.960 0.000 0.000 0.260 149 G C 0.447 175.325 174.900 -0.037 0.000 0.986 149 G CA 0.139 45.227 45.100 -0.020 0.000 0.683 149 G HN 0.850 nan 8.290 nan 0.000 0.527 150 G N -0.727 108.051 108.800 -0.038 0.000 2.477 150 G HA2 0.573 4.533 3.960 0.000 0.000 0.304 150 G HA3 0.573 4.533 3.960 0.000 0.000 0.304 150 G C -0.114 174.732 174.900 -0.089 0.000 1.175 150 G CA -0.737 44.337 45.100 -0.043 0.000 0.907 150 G HN 0.342 nan 8.290 nan 0.000 0.509 151 K N 0.543 120.898 120.400 -0.076 0.000 2.253 151 K HA 0.358 4.678 4.320 0.000 0.000 0.277 151 K C -0.734 175.791 176.600 -0.125 0.000 1.053 151 K CA -0.083 56.142 56.287 -0.103 0.000 0.892 151 K CB 1.480 33.946 32.500 -0.056 0.000 1.102 151 K HN 0.257 nan 8.250 nan 0.000 0.469 152 I N 1.500 121.938 120.570 -0.220 0.000 2.404 152 I HA 0.322 4.492 4.170 0.000 0.000 0.293 152 I C 0.416 176.396 176.117 -0.228 0.000 0.992 152 I CA -0.512 60.602 61.300 -0.310 0.000 1.149 152 I CB 2.071 39.674 38.000 -0.662 0.000 1.315 152 I HN 0.586 nan 8.210 nan 0.000 0.446 153 G N 6.654 115.370 108.800 -0.139 0.000 2.530 153 G HA2 0.712 4.672 3.960 0.000 0.000 0.316 153 G HA3 0.712 4.672 3.960 0.000 0.000 0.316 153 G C -1.003 173.835 174.900 -0.104 0.000 1.298 153 G CA -0.536 44.447 45.100 -0.195 0.000 0.948 153 G HN 0.455 nan 8.290 nan 0.000 0.486 154 L N 2.233 123.346 121.223 -0.184 0.000 2.301 154 L HA 0.432 4.772 4.340 0.000 0.000 0.278 154 L C -0.854 175.948 176.870 -0.113 0.000 1.022 154 L CA -0.614 54.215 54.840 -0.018 0.000 0.854 154 L CB 0.799 42.887 42.059 0.047 0.000 1.226 154 L HN 0.320 nan 8.230 nan 0.000 0.429 155 F N 1.419 121.360 119.950 -0.014 0.000 2.396 155 F HA 0.719 5.246 4.527 -0.000 0.000 0.343 155 F C 1.009 176.798 175.800 -0.019 0.000 1.104 155 F CA -0.273 57.696 58.000 -0.051 0.000 1.161 155 F CB 1.866 40.819 39.000 -0.078 0.000 1.146 155 F HN 0.437 nan 8.300 nan 0.000 0.522 156 G N 1.183 110.040 108.800 0.095 0.000 2.733 156 G HA2 0.487 4.447 3.960 0.000 0.000 0.297 156 G HA3 0.487 4.447 3.960 0.000 0.000 0.297 156 G C -0.627 174.196 174.900 -0.129 0.000 1.452 156 G CA -0.491 44.625 45.100 0.027 0.000 0.940 156 G HN 0.923 nan 8.290 nan 0.000 0.547 157 G N -0.216 108.496 108.800 -0.146 0.000 2.683 157 G HA2 0.628 4.588 3.960 0.000 0.000 0.260 157 G HA3 0.628 4.588 3.960 0.000 0.000 0.260 157 G C 0.828 175.659 174.900 -0.115 0.000 1.238 157 G CA 0.366 45.305 45.100 -0.270 0.000 0.934 157 G HN 1.696 nan 8.290 nan 0.000 0.534 158 A N -1.044 121.764 122.820 -0.020 0.000 2.545 158 A HA 0.500 4.820 4.320 0.000 0.000 0.253 158 A C 1.591 179.240 177.584 0.109 0.000 1.074 158 A CA 1.172 53.331 52.037 0.204 0.000 0.760 158 A CB -0.754 18.394 19.000 0.246 0.000 1.005 158 A HN 2.579 nan 8.150 nan 0.000 0.506 159 G N 0.869 109.736 108.800 0.112 0.000 2.143 159 G HA2 -0.214 3.746 3.960 0.000 0.000 0.249 159 G HA3 -0.214 3.746 3.960 0.000 0.000 0.249 159 G C 0.838 175.778 174.900 0.067 0.000 0.981 159 G CA 0.815 45.955 45.100 0.067 0.000 0.665 159 G HN 2.125 nan 8.290 nan 0.000 0.528 160 V N -3.191 116.774 119.914 0.084 0.000 3.052 160 V HA 0.619 4.739 4.120 0.000 0.000 0.254 160 V C 1.737 177.928 176.094 0.161 0.000 1.100 160 V CA 1.641 64.009 62.300 0.114 0.000 1.112 160 V CB 0.312 32.180 31.823 0.075 0.000 0.738 160 V HN 2.096 nan 8.190 nan 0.000 0.469 161 G N -0.093 108.778 108.800 0.119 0.000 2.407 161 G HA2 -0.112 3.848 3.960 0.000 0.000 0.210 161 G HA3 -0.112 3.848 3.960 0.000 0.000 0.210 161 G C 0.512 175.495 174.900 0.139 0.000 1.015 161 G CA 0.137 45.309 45.100 0.120 0.000 0.807 161 G HN 0.381 nan 8.290 nan 0.000 0.539 162 K N -0.025 120.452 120.400 0.127 0.000 2.009 162 K HA -0.063 4.257 4.320 0.000 0.000 0.210 162 K C 2.493 179.179 176.600 0.142 0.000 1.049 162 K CA 2.008 58.374 56.287 0.132 0.000 0.929 162 K CB -0.221 32.349 32.500 0.117 0.000 0.714 162 K HN 0.259 nan 8.250 nan 0.000 0.440 163 T N 1.017 115.651 114.554 0.133 0.000 2.812 163 T HA -0.070 4.280 4.350 0.000 0.000 0.264 163 T C 2.054 176.833 174.700 0.132 0.000 1.042 163 T CA 0.873 63.057 62.100 0.139 0.000 1.140 163 T CB -0.132 68.815 68.868 0.131 0.000 0.870 163 T HN -0.070 nan 8.240 nan 0.000 0.445 164 V N 1.746 121.736 119.914 0.127 0.000 2.332 164 V HA -0.136 3.984 4.120 0.000 0.000 0.248 164 V C 2.394 178.624 176.094 0.226 0.000 1.055 164 V CA 1.370 63.766 62.300 0.161 0.000 1.038 164 V CB -0.626 31.277 31.823 0.134 0.000 0.651 164 V HN 0.326 nan 8.190 nan 0.000 0.450 165 L N -0.249 121.126 121.223 0.253 0.000 2.027 165 L HA -0.090 4.250 4.340 0.000 0.000 0.206 165 L C 2.123 179.092 176.870 0.164 0.000 1.074 165 L CA 1.773 56.786 54.840 0.288 0.000 0.745 165 L CB -0.587 41.656 42.059 0.307 0.000 0.898 165 L HN 0.254 nan 8.230 nan 0.000 0.433 166 I N -1.197 119.466 120.570 0.154 0.000 2.361 166 I HA -0.304 3.866 4.170 0.000 0.000 0.251 166 I C 2.041 178.167 176.117 0.015 0.000 1.133 166 I CA 0.971 62.352 61.300 0.134 0.000 1.413 166 I CB 0.056 38.171 38.000 0.190 0.000 1.073 166 I HN 0.307 nan 8.210 nan 0.000 0.424 167 M N -0.374 119.236 119.600 0.017 0.000 2.200 167 M HA -0.172 4.308 4.480 0.000 0.000 0.265 167 M C 2.114 178.362 176.300 -0.087 0.000 1.066 167 M CA 1.439 56.705 55.300 -0.057 0.000 1.127 167 M CB -1.351 31.243 32.600 -0.010 0.000 1.379 167 M HN 0.145 nan 8.290 nan 0.000 0.420 168 E N 0.763 120.916 120.200 -0.078 0.000 2.106 168 E HA -0.081 4.269 4.350 0.000 0.000 0.192 168 E C 2.042 178.531 176.600 -0.185 0.000 0.984 168 E CA 1.049 57.319 56.400 -0.217 0.000 0.806 168 E CB -0.247 29.109 29.700 -0.573 0.000 0.750 168 E HN 0.475 nan 8.360 nan 0.000 0.458 169 L N -0.137 121.034 121.223 -0.087 0.000 2.056 169 L HA -0.106 4.234 4.340 0.000 0.000 0.207 169 L C 2.373 179.244 176.870 0.003 0.000 1.078 169 L CA 0.876 55.731 54.840 0.026 0.000 0.749 169 L CB -0.344 41.831 42.059 0.193 0.000 0.901 169 L HN 0.194 nan 8.230 nan 0.000 0.433 170 I N 0.140 120.597 120.570 -0.188 0.000 2.264 170 I HA -0.321 3.849 4.170 0.000 0.000 0.248 170 I C 2.248 178.288 176.117 -0.128 0.000 1.111 170 I CA 1.473 62.584 61.300 -0.316 0.000 1.382 170 I CB -0.340 37.340 38.000 -0.533 0.000 1.060 170 I HN 0.347 nan 8.210 nan 0.000 0.418 171 N N 0.767 119.400 118.700 -0.111 0.000 2.216 171 N HA -0.144 4.596 4.740 0.000 0.000 0.183 171 N C 1.526 177.008 175.510 -0.047 0.000 1.017 171 N CA 1.362 54.366 53.050 -0.077 0.000 0.861 171 N CB 0.049 38.483 38.487 -0.088 0.000 0.986 171 N HN 0.184 nan 8.380 nan 0.000 0.428 172 N N -1.123 117.549 118.700 -0.046 0.000 2.409 172 N HA 0.061 4.801 4.740 0.000 0.000 0.174 172 N C 1.216 176.745 175.510 0.032 0.000 1.037 172 N CA 0.458 53.494 53.050 -0.022 0.000 0.898 172 N CB 0.306 38.759 38.487 -0.057 0.000 1.010 172 N HN 0.079 nan 8.380 nan 0.000 0.445 173 V N 0.211 120.169 119.914 0.073 0.000 2.690 173 V HA 0.210 4.330 4.120 0.000 0.000 0.240 173 V C 2.163 178.344 176.094 0.144 0.000 1.078 173 V CA 1.170 63.546 62.300 0.127 0.000 1.102 173 V CB -0.705 31.229 31.823 0.185 0.000 0.800 173 V HN 0.173 nan 8.190 nan 0.000 0.479 174 A N 0.444 123.347 122.820 0.138 0.000 1.933 174 A HA -0.231 4.089 4.320 0.000 0.000 0.218 174 A C 2.159 179.819 177.584 0.125 0.000 1.175 174 A CA 2.148 54.270 52.037 0.141 0.000 0.628 174 A CB -0.398 18.668 19.000 0.110 0.000 0.814 174 A HN 0.492 nan 8.150 nan 0.000 0.444 175 K N 0.015 120.459 120.400 0.074 0.000 2.103 175 K HA 0.135 4.455 4.320 0.000 0.000 0.204 175 K C 2.015 178.646 176.600 0.052 0.000 1.052 175 K CA 1.185 57.501 56.287 0.048 0.000 0.945 175 K CB -0.369 32.143 32.500 0.020 0.000 0.722 175 K HN 0.404 nan 8.250 nan 0.000 0.443 176 A N 0.575 123.435 122.820 0.066 0.000 2.119 176 A HA -0.097 4.223 4.320 0.000 0.000 0.217 176 A C 0.650 178.276 177.584 0.070 0.000 1.153 176 A CA 0.513 52.583 52.037 0.056 0.000 0.692 176 A CB -0.548 18.485 19.000 0.055 0.000 0.799 176 A HN 0.322 nan 8.150 nan 0.000 0.458 177 H N 0.058 119.132 119.070 0.007 0.000 2.582 177 H HA 0.405 4.961 4.556 0.000 0.000 0.345 177 H C -0.126 175.179 175.328 -0.037 0.000 1.104 177 H CA 0.561 56.606 56.048 -0.005 0.000 1.390 177 H CB 1.141 30.913 29.762 0.017 0.000 1.461 177 H HN 0.095 nan 8.280 nan 0.000 0.551 178 G N 2.551 111.008 108.800 -0.572 0.000 3.102 178 G HA2 0.510 4.470 3.960 0.000 0.000 0.345 178 G HA3 0.510 4.470 3.960 0.000 0.000 0.345 178 G C 0.017 174.614 174.900 -0.504 0.000 1.200 178 G CA 0.259 45.123 45.100 -0.394 0.000 1.163 178 G HN 0.888 nan 8.290 nan 0.000 0.465 179 G N 0.670 109.301 108.800 -0.283 0.000 2.392 179 G HA2 0.400 4.360 3.960 0.000 0.000 0.260 179 G HA3 0.400 4.360 3.960 0.000 0.000 0.260 179 G C -1.616 173.098 174.900 -0.310 0.000 1.226 179 G CA -0.817 44.103 45.100 -0.300 0.000 0.913 179 G HN 0.312 nan 8.290 nan 0.000 0.483 180 Y N 0.096 120.398 120.300 0.005 0.000 2.496 180 Y HA 0.722 5.272 4.550 0.000 0.000 0.331 180 Y C 0.605 176.440 175.900 -0.109 0.000 1.140 180 Y CA -0.613 57.384 58.100 -0.172 0.000 1.166 180 Y CB 2.457 40.557 38.460 -0.601 0.000 1.249 180 Y HN 0.429 nan 8.280 nan 0.000 0.479 181 S N 0.881 116.641 115.700 0.099 0.000 2.536 181 S HA 0.703 5.173 4.470 0.000 0.000 0.298 181 S C -1.236 173.447 174.600 0.138 0.000 1.083 181 S CA -0.813 57.457 58.200 0.118 0.000 0.995 181 S CB 1.870 65.205 63.200 0.225 0.000 1.058 181 S HN 0.325 nan 8.310 nan 0.000 0.488 182 V N 2.868 122.876 119.914 0.158 0.000 2.531 182 V HA 0.481 4.601 4.120 0.000 0.000 0.301 182 V C -1.232 174.991 176.094 0.215 0.000 1.034 182 V CA -0.634 61.767 62.300 0.168 0.000 0.865 182 V CB 1.269 33.168 31.823 0.126 0.000 0.995 182 V HN 0.859 nan 8.190 nan 0.000 0.424 183 F N 4.249 124.248 119.950 0.081 0.000 2.411 183 F HA 0.766 5.293 4.527 -0.000 0.000 0.352 183 F C 0.377 176.084 175.800 -0.155 0.000 1.123 183 F CA -0.479 57.540 58.000 0.031 0.000 1.044 183 F CB 1.179 40.197 39.000 0.031 0.000 1.135 183 F HN 0.551 nan 8.300 nan 0.000 0.461 184 A N 4.795 127.286 122.820 -0.548 0.000 2.256 184 A HA 0.615 4.935 4.320 0.000 0.000 0.317 184 A C 0.080 177.283 177.584 -0.636 0.000 1.318 184 A CA -0.344 51.403 52.037 -0.483 0.000 0.894 184 A CB 0.134 18.946 19.000 -0.313 0.000 1.165 184 A HN 0.984 nan 8.150 nan 0.000 0.525 185 G N 1.209 109.647 108.800 -0.604 0.000 2.338 185 G HA2 0.497 4.457 3.960 0.000 0.000 0.295 185 G HA3 0.497 4.457 3.960 0.000 0.000 0.295 185 G C -0.610 174.252 174.900 -0.063 0.000 1.132 185 G CA -0.131 44.843 45.100 -0.210 0.000 0.922 185 G HN 0.762 nan 8.290 nan 0.000 0.427 186 V N 2.649 122.553 119.914 -0.017 0.000 2.380 186 V HA 0.590 4.710 4.120 0.000 0.000 0.286 186 V C 1.011 177.139 176.094 0.056 0.000 1.015 186 V CA 0.173 62.480 62.300 0.011 0.000 0.834 186 V CB 0.842 32.653 31.823 -0.020 0.000 1.009 186 V HN 1.416 nan 8.190 nan 0.000 0.428 187 G N 3.237 112.077 108.800 0.067 0.000 2.225 187 G HA2 -0.192 3.768 3.960 0.000 0.000 0.267 187 G HA3 -0.192 3.768 3.960 0.000 0.000 0.267 187 G C 0.170 175.111 174.900 0.068 0.000 1.024 187 G CA 0.572 45.706 45.100 0.057 0.000 0.784 187 G HN 0.579 nan 8.290 nan 0.000 0.507 188 E N -0.735 119.529 120.200 0.107 0.000 2.672 188 E HA 0.466 4.816 4.350 0.000 0.000 0.235 188 E C 0.866 177.533 176.600 0.111 0.000 0.906 188 E CA -0.948 55.520 56.400 0.112 0.000 0.973 188 E CB 0.504 30.298 29.700 0.157 0.000 1.478 188 E HN 0.378 nan 8.360 nan 0.000 0.430 189 R N 0.398 120.964 120.500 0.110 0.000 2.316 189 R HA 0.196 4.536 4.340 0.000 0.000 0.314 189 R C 1.123 177.467 176.300 0.074 0.000 1.069 189 R CA 0.062 56.209 56.100 0.078 0.000 0.959 189 R CB 0.291 30.631 30.300 0.066 0.000 0.987 189 R HN 0.400 nan 8.270 nan 0.000 0.446 190 T N 3.049 117.626 114.554 0.039 0.000 2.720 190 T HA -0.206 4.144 4.350 0.000 0.000 0.268 190 T C 1.720 176.395 174.700 -0.041 0.000 1.037 190 T CA 1.916 64.007 62.100 -0.015 0.000 1.144 190 T CB -0.098 68.759 68.868 -0.018 0.000 0.864 190 T HN 0.595 nan 8.240 nan 0.000 0.444 191 R N 1.908 122.405 120.500 -0.004 0.000 2.148 191 R HA 0.035 4.375 4.340 0.000 0.000 0.227 191 R C 1.867 178.173 176.300 0.009 0.000 1.103 191 R CA 1.473 57.575 56.100 0.003 0.000 0.983 191 R CB -0.645 29.665 30.300 0.017 0.000 0.874 191 R HN 0.398 nan 8.270 nan 0.000 0.451 192 E N 0.366 120.582 120.200 0.026 0.000 2.106 192 E HA -0.067 4.283 4.350 0.000 0.000 0.192 192 E C 2.063 178.663 176.600 0.000 0.000 0.984 192 E CA 1.113 57.537 56.400 0.040 0.000 0.806 192 E CB -0.229 29.528 29.700 0.094 0.000 0.750 192 E HN 0.659 nan 8.360 nan 0.000 0.458 193 G N 1.213 109.967 108.800 -0.077 0.000 2.402 193 G HA2 -0.336 3.624 3.960 0.000 0.000 0.216 193 G HA3 -0.336 3.624 3.960 0.000 0.000 0.216 193 G C 1.412 176.172 174.900 -0.234 0.000 1.162 193 G CA 0.996 45.881 45.100 -0.359 0.000 0.777 193 G HN 0.191 nan 8.290 nan 0.000 0.539 194 N N 0.693 119.322 118.700 -0.118 0.000 2.069 194 N HA -0.122 4.618 4.740 0.000 0.000 0.191 194 N C 1.753 177.361 175.510 0.163 0.000 1.031 194 N CA 1.732 54.820 53.050 0.064 0.000 0.852 194 N CB -0.123 38.417 38.487 0.088 0.000 1.018 194 N HN 0.144 nan 8.380 nan 0.000 0.423 195 D N 0.018 120.462 120.400 0.073 0.000 2.092 195 D HA -0.162 4.478 4.640 0.000 0.000 0.193 195 D C 1.919 178.238 176.300 0.031 0.000 0.994 195 D CA 0.756 54.791 54.000 0.059 0.000 0.828 195 D CB -0.560 40.256 40.800 0.026 0.000 0.963 195 D HN 0.254 nan 8.370 nan 0.000 0.450 196 L N 0.160 121.370 121.223 -0.021 0.000 1.994 196 L HA -0.183 4.157 4.340 0.000 0.000 0.208 196 L C 2.259 179.112 176.870 -0.027 0.000 1.071 196 L CA 1.562 56.355 54.840 -0.077 0.000 0.745 196 L CB -1.202 40.741 42.059 -0.194 0.000 0.892 196 L HN 0.024 nan 8.230 nan 0.000 0.431 197 Y N 0.378 120.587 120.300 -0.152 0.000 2.053 197 Y HA -0.350 4.200 4.550 0.000 0.000 0.277 197 Y C 2.714 178.482 175.900 -0.220 0.000 1.159 197 Y CA 2.511 60.486 58.100 -0.208 0.000 1.125 197 Y CB -0.797 37.467 38.460 -0.327 0.000 0.969 197 Y HN 0.496 nan 8.280 nan 0.000 0.492 198 H N -1.138 117.849 119.070 -0.138 0.000 2.428 198 H HA -0.056 4.500 4.556 -0.000 0.000 0.296 198 H C 2.168 177.397 175.328 -0.165 0.000 1.062 198 H CA 1.321 57.238 56.048 -0.218 0.000 1.350 198 H CB -0.011 29.692 29.762 -0.097 0.000 1.403 198 H HN 0.445 nan 8.280 nan 0.000 0.533 199 E N 0.333 120.524 120.200 -0.014 0.000 2.106 199 E HA -0.135 4.215 4.350 0.000 0.000 0.192 199 E C 1.794 178.349 176.600 -0.075 0.000 0.984 199 E CA 0.810 57.186 56.400 -0.040 0.000 0.806 199 E CB 0.088 29.766 29.700 -0.038 0.000 0.750 199 E HN 0.433 nan 8.360 nan 0.000 0.458 200 M N -0.179 119.357 119.600 -0.107 0.000 2.254 200 M HA -0.087 4.393 4.480 0.000 0.000 0.265 200 M C 1.996 178.216 176.300 -0.134 0.000 1.066 200 M CA 0.984 56.220 55.300 -0.106 0.000 1.123 200 M CB -0.006 32.543 32.600 -0.086 0.000 1.388 200 M HN 0.186 nan 8.290 nan 0.000 0.425 201 I N -0.121 120.319 120.570 -0.217 0.000 2.252 201 I HA -0.271 3.899 4.170 0.000 0.000 0.245 201 I C 2.441 178.496 176.117 -0.105 0.000 1.102 201 I CA 1.344 62.524 61.300 -0.200 0.000 1.385 201 I CB -0.368 37.453 38.000 -0.298 0.000 1.064 201 I HN 0.345 nan 8.210 nan 0.000 0.414 202 E N 0.845 120.996 120.200 -0.081 0.000 2.077 202 E HA -0.242 4.108 4.350 0.000 0.000 0.193 202 E C 2.247 178.820 176.600 -0.045 0.000 0.989 202 E CA 1.805 58.174 56.400 -0.051 0.000 0.800 202 E CB 0.058 29.735 29.700 -0.039 0.000 0.746 202 E HN 0.506 nan 8.360 nan 0.000 0.452 203 S N -1.376 114.295 115.700 -0.048 0.000 2.436 203 S HA 0.083 4.553 4.470 0.000 0.000 0.228 203 S C 1.632 176.212 174.600 -0.033 0.000 1.014 203 S CA 0.826 59.003 58.200 -0.038 0.000 0.950 203 S CB 0.388 63.565 63.200 -0.039 0.000 0.784 203 S HN 0.520 nan 8.310 nan 0.000 0.504 204 G N 0.430 109.206 108.800 -0.041 0.000 2.176 204 G HA2 -0.305 3.655 3.960 0.000 0.000 0.232 204 G HA3 -0.305 3.655 3.960 0.000 0.000 0.232 204 G C 0.823 175.710 174.900 -0.020 0.000 0.986 204 G CA 0.497 45.578 45.100 -0.031 0.000 0.643 204 G HN 1.430 nan 8.290 nan 0.000 0.522 205 V N -1.249 118.652 119.914 -0.022 0.000 2.970 205 V HA 0.433 4.554 4.120 0.000 0.000 0.260 205 V C 1.176 177.273 176.094 0.006 0.000 1.100 205 V CA 1.376 63.675 62.300 -0.003 0.000 1.122 205 V CB -0.157 31.665 31.823 -0.001 0.000 0.721 205 V HN 0.457 nan 8.190 nan 0.000 0.483 206 I N 2.256 122.813 120.570 -0.021 0.000 2.362 206 I HA 0.448 4.618 4.170 0.000 0.000 0.289 206 I C -0.524 175.572 176.117 -0.034 0.000 0.994 206 I CA -0.267 61.022 61.300 -0.017 0.000 1.158 206 I CB 1.449 39.424 38.000 -0.042 0.000 1.315 206 I HN 0.146 nan 8.210 nan 0.000 0.451 207 N N 6.804 125.501 118.700 -0.006 0.000 2.407 207 N HA 0.369 5.109 4.740 0.000 0.000 0.277 207 N C 0.197 175.709 175.510 0.003 0.000 0.995 207 N CA -0.404 52.641 53.050 -0.007 0.000 0.903 207 N CB 1.942 40.432 38.487 0.005 0.000 1.218 207 N HN 0.572 nan 8.380 nan 0.000 0.487 208 L N 2.404 123.623 121.223 -0.006 0.000 2.509 208 L HA 0.152 4.492 4.340 0.000 0.000 0.222 208 L C 1.698 178.577 176.870 0.015 0.000 1.123 208 L CA 0.495 55.342 54.840 0.011 0.000 0.856 208 L CB 0.089 42.151 42.059 0.005 0.000 0.985 208 L HN 0.324 nan 8.230 nan 0.000 0.456 209 K N -1.140 119.266 120.400 0.009 0.000 2.367 209 K HA 0.205 4.525 4.320 0.000 0.000 0.195 209 K C -0.072 176.536 176.600 0.013 0.000 1.060 209 K CA 0.268 56.561 56.287 0.010 0.000 1.022 209 K CB 0.748 33.251 32.500 0.006 0.000 0.894 209 K HN 0.097 nan 8.250 nan 0.000 0.540 210 D N -1.050 119.359 120.400 0.015 0.000 2.592 210 D HA 0.370 5.010 4.640 0.000 0.000 0.263 210 D C -0.888 175.427 176.300 0.025 0.000 1.132 210 D CA -0.511 53.500 54.000 0.018 0.000 0.996 210 D CB 1.932 42.741 40.800 0.016 0.000 1.442 210 D HN -0.102 nan 8.370 nan 0.000 0.486 211 A N 0.100 122.938 122.820 0.029 0.000 2.476 211 A HA 0.159 4.479 4.320 0.000 0.000 0.263 211 A C 1.113 178.727 177.584 0.051 0.000 1.342 211 A CA 0.492 52.551 52.037 0.037 0.000 0.926 211 A CB -0.799 18.223 19.000 0.037 0.000 1.019 211 A HN 0.446 nan 8.150 nan 0.000 0.515 212 T N -2.887 111.694 114.554 0.045 0.000 3.144 212 T HA 0.173 4.523 4.350 0.000 0.000 0.249 212 T C 0.617 175.354 174.700 0.061 0.000 1.089 212 T CA 0.175 62.307 62.100 0.052 0.000 0.989 212 T CB -0.345 68.543 68.868 0.033 0.000 0.992 212 T HN 0.164 nan 8.240 nan 0.000 0.540 213 S N 2.031 117.768 115.700 0.062 0.000 2.560 213 S HA 0.249 4.719 4.470 0.000 0.000 0.284 213 S C 0.932 175.595 174.600 0.105 0.000 1.327 213 S CA -0.572 57.668 58.200 0.066 0.000 1.055 213 S CB 0.780 64.015 63.200 0.059 0.000 0.868 213 S HN 0.274 nan 8.310 nan 0.000 0.506 214 K N 1.077 121.540 120.400 0.106 0.000 2.402 214 K HA 0.272 4.592 4.320 0.000 0.000 0.204 214 K C -0.664 176.019 176.600 0.138 0.000 1.056 214 K CA 0.188 56.573 56.287 0.163 0.000 1.069 214 K CB 0.769 33.329 32.500 0.099 0.000 0.888 214 K HN 0.376 nan 8.250 nan 0.000 0.546 215 V N 0.941 120.914 119.914 0.098 0.000 2.709 215 V HA 0.576 4.696 4.120 0.000 0.000 0.308 215 V C -0.762 175.397 176.094 0.108 0.000 1.062 215 V CA -1.315 61.049 62.300 0.107 0.000 0.901 215 V CB 1.839 33.730 31.823 0.114 0.000 1.003 215 V HN 0.116 nan 8.190 nan 0.000 0.425 216 A N 5.361 128.258 122.820 0.128 0.000 2.318 216 A HA 0.929 5.249 4.320 0.000 0.000 0.324 216 A C -0.960 176.722 177.584 0.164 0.000 1.170 216 A CA -0.514 51.611 52.037 0.148 0.000 0.810 216 A CB 0.854 19.971 19.000 0.195 0.000 1.198 216 A HN 0.797 nan 8.150 nan 0.000 0.484 217 L N 2.488 123.806 121.223 0.160 0.000 2.329 217 L HA 0.694 5.035 4.340 0.000 0.000 0.279 217 L C -0.937 176.006 176.870 0.121 0.000 1.014 217 L CA -0.930 54.022 54.840 0.185 0.000 0.814 217 L CB 1.958 44.205 42.059 0.314 0.000 1.257 217 L HN 0.416 nan 8.230 nan 0.000 0.424 218 V N 2.700 122.609 119.914 -0.008 0.000 2.577 218 V HA 0.477 4.597 4.120 0.000 0.000 0.303 218 V C -1.325 174.657 176.094 -0.188 0.000 1.042 218 V CA -0.679 61.603 62.300 -0.029 0.000 0.872 218 V CB 1.893 33.683 31.823 -0.055 0.000 0.998 218 V HN 0.461 nan 8.190 nan 0.000 0.423 219 Y N 1.501 121.826 120.300 0.042 0.000 2.421 219 Y HA 0.747 5.297 4.550 -0.000 0.000 0.339 219 Y C 0.500 176.415 175.900 0.026 0.000 0.996 219 Y CA -0.629 57.500 58.100 0.048 0.000 1.046 219 Y CB 2.850 41.335 38.460 0.042 0.000 1.226 219 Y HN 0.735 nan 8.280 nan 0.000 0.445 220 G N 3.826 112.731 108.800 0.174 0.000 3.191 220 G HA2 0.352 4.312 3.960 0.000 0.000 0.309 220 G HA3 0.352 4.312 3.960 0.000 0.000 0.309 220 G C -1.044 173.923 174.900 0.111 0.000 1.596 220 G CA -0.536 44.631 45.100 0.111 0.000 0.955 220 G HN 0.310 nan 8.290 nan 0.000 0.508 221 Q N 1.168 121.044 119.800 0.126 0.000 2.173 221 Q HA 0.306 4.646 4.340 0.000 0.000 0.186 221 Q C 2.007 178.046 176.000 0.065 0.000 1.018 221 Q CA -0.772 55.101 55.803 0.117 0.000 1.064 221 Q CB 0.671 29.487 28.738 0.130 0.000 1.130 221 Q HN 0.726 nan 8.270 nan 0.000 0.553 222 M N -1.082 118.551 119.600 0.055 0.000 2.659 222 M HA 0.018 4.498 4.480 0.000 0.000 0.243 222 M C 0.667 176.980 176.300 0.022 0.000 1.111 222 M CA 1.362 56.680 55.300 0.030 0.000 1.070 222 M CB -0.694 31.919 32.600 0.023 0.000 1.525 222 M HN 0.525 nan 8.290 nan 0.000 0.517 223 N N -0.215 118.501 118.700 0.025 0.000 2.467 223 N HA 0.039 4.779 4.740 0.000 0.000 0.184 223 N C -0.211 175.308 175.510 0.014 0.000 1.106 223 N CA -0.152 52.908 53.050 0.017 0.000 0.892 223 N CB 0.140 38.636 38.487 0.015 0.000 0.969 223 N HN 0.324 nan 8.380 nan 0.000 0.454 224 E N 1.776 121.987 120.200 0.018 0.000 2.283 224 E HA 0.278 4.628 4.350 0.000 0.000 0.271 224 E C -2.203 174.400 176.600 0.004 0.000 1.031 224 E CA -2.131 54.277 56.400 0.014 0.000 0.868 224 E CB 0.969 30.682 29.700 0.022 0.000 1.094 224 E HN 0.184 nan 8.360 nan 0.000 0.401 225 P HA 0.100 nan 4.420 nan 0.000 0.274 225 P C -2.014 175.277 177.300 -0.015 0.000 1.246 225 P CA -1.185 61.910 63.100 -0.007 0.000 0.795 225 P CB 0.230 31.927 31.700 -0.005 0.000 1.006 226 P HA -0.135 nan 4.420 nan 0.000 0.218 226 P C 1.654 178.924 177.300 -0.050 0.000 1.149 226 P CA 1.675 64.748 63.100 -0.044 0.000 0.817 226 P CB -0.624 31.045 31.700 -0.052 0.000 0.785 227 G N 0.761 109.541 108.800 -0.033 0.000 2.440 227 G HA2 -0.251 3.710 3.960 0.000 0.000 0.218 227 G HA3 -0.251 3.710 3.960 0.000 0.000 0.218 227 G C 1.813 176.703 174.900 -0.018 0.000 1.154 227 G CA 1.141 46.225 45.100 -0.027 0.000 0.767 227 G HN 0.367 nan 8.290 nan 0.000 0.552 228 A N 0.605 123.420 122.820 -0.008 0.000 1.898 228 A HA 0.036 4.356 4.320 0.000 0.000 0.216 228 A C 2.432 180.017 177.584 0.002 0.000 1.181 228 A CA 1.549 53.587 52.037 0.003 0.000 0.620 228 A CB -0.368 18.638 19.000 0.010 0.000 0.819 228 A HN 0.339 nan 8.150 nan 0.000 0.442 229 R N -0.683 119.811 120.500 -0.009 0.000 2.148 229 R HA -0.021 4.319 4.340 0.000 0.000 0.227 229 R C 2.320 178.607 176.300 -0.023 0.000 1.103 229 R CA 1.003 57.097 56.100 -0.009 0.000 0.983 229 R CB -0.318 29.968 30.300 -0.023 0.000 0.874 229 R HN 0.522 nan 8.270 nan 0.000 0.451 230 A N 0.633 123.408 122.820 -0.075 0.000 1.968 230 A HA -0.051 4.269 4.320 0.000 0.000 0.217 230 A C 1.838 179.411 177.584 -0.018 0.000 1.169 230 A CA 0.891 52.826 52.037 -0.170 0.000 0.638 230 A CB 0.039 18.893 19.000 -0.243 0.000 0.812 230 A HN 0.056 nan 8.150 nan 0.000 0.446 231 R N -1.115 119.395 120.500 0.017 0.000 2.237 231 R HA 0.114 4.454 4.340 0.000 0.000 0.195 231 R C 1.846 178.163 176.300 0.028 0.000 0.956 231 R CA 0.855 56.978 56.100 0.038 0.000 1.029 231 R CB -1.172 29.137 30.300 0.014 0.000 0.972 231 R HN 0.376 nan 8.270 nan 0.000 0.493 232 V N 1.555 121.487 119.914 0.030 0.000 2.594 232 V HA -0.179 3.941 4.120 0.000 0.000 0.253 232 V C 2.137 178.219 176.094 -0.021 0.000 1.069 232 V CA 1.911 64.214 62.300 0.004 0.000 1.082 232 V CB -0.393 31.436 31.823 0.010 0.000 0.680 232 V HN 0.294 nan 8.190 nan 0.000 0.469 233 A N -0.215 122.609 122.820 0.007 0.000 1.933 233 A HA -0.139 4.181 4.320 0.000 0.000 0.218 233 A C 2.117 179.645 177.584 -0.094 0.000 1.175 233 A CA 1.998 53.996 52.037 -0.065 0.000 0.628 233 A CB -0.504 18.444 19.000 -0.087 0.000 0.814 233 A HN 0.580 nan 8.150 nan 0.000 0.444 234 L N -0.690 120.496 121.223 -0.061 0.000 2.046 234 L HA -0.164 4.176 4.340 0.000 0.000 0.208 234 L C 2.766 179.573 176.870 -0.105 0.000 1.077 234 L CA 1.761 56.536 54.840 -0.107 0.000 0.747 234 L CB -1.322 40.643 42.059 -0.157 0.000 0.896 234 L HN 0.355 nan 8.230 nan 0.000 0.432 235 T N 0.020 114.526 114.554 -0.081 0.000 2.684 235 T HA -0.164 4.186 4.350 0.000 0.000 0.267 235 T C 1.910 176.574 174.700 -0.059 0.000 1.036 235 T CA 1.496 63.559 62.100 -0.062 0.000 1.148 235 T CB -0.740 68.105 68.868 -0.038 0.000 0.863 235 T HN 0.561 nan 8.240 nan 0.000 0.436 236 G N 1.553 110.310 108.800 -0.072 0.000 2.446 236 G HA2 -0.159 3.801 3.960 0.000 0.000 0.217 236 G HA3 -0.159 3.801 3.960 0.000 0.000 0.217 236 G C 1.425 176.286 174.900 -0.064 0.000 1.168 236 G CA 0.618 45.673 45.100 -0.076 0.000 0.771 236 G HN 0.319 nan 8.290 nan 0.000 0.551 237 L N 1.058 122.229 121.223 -0.087 0.000 2.042 237 L HA -0.066 4.274 4.340 0.000 0.000 0.210 237 L C 3.188 180.029 176.870 -0.049 0.000 1.076 237 L CA 2.090 56.882 54.840 -0.080 0.000 0.749 237 L CB -1.241 40.754 42.059 -0.106 0.000 0.893 237 L HN 0.186 nan 8.230 nan 0.000 0.432 238 T N -1.168 113.354 114.554 -0.053 0.000 2.720 238 T HA -0.160 4.190 4.350 0.000 0.000 0.268 238 T C 2.064 176.743 174.700 -0.036 0.000 1.037 238 T CA 1.469 63.545 62.100 -0.041 0.000 1.144 238 T CB -0.341 68.497 68.868 -0.049 0.000 0.864 238 T HN 0.106 nan 8.240 nan 0.000 0.444 239 V N 1.667 121.557 119.914 -0.040 0.000 2.343 239 V HA -0.181 3.939 4.120 0.000 0.000 0.247 239 V C 2.872 178.983 176.094 0.028 0.000 1.051 239 V CA 1.761 64.030 62.300 -0.052 0.000 1.036 239 V CB -1.183 30.644 31.823 0.006 0.000 0.654 239 V HN 0.543 nan 8.190 nan 0.000 0.451 240 A N -0.571 122.306 122.820 0.095 0.000 1.898 240 A HA -0.207 4.113 4.320 0.000 0.000 0.216 240 A C 2.163 179.819 177.584 0.121 0.000 1.181 240 A CA 1.622 53.763 52.037 0.172 0.000 0.620 240 A CB -0.471 18.573 19.000 0.073 0.000 0.819 240 A HN 0.596 nan 8.150 nan 0.000 0.442 241 E N -1.501 118.723 120.200 0.040 0.000 2.097 241 E HA -0.260 4.090 4.350 0.000 0.000 0.196 241 E C 1.803 178.403 176.600 0.000 0.000 1.000 241 E CA 1.659 58.067 56.400 0.014 0.000 0.804 241 E CB -0.346 29.351 29.700 -0.005 0.000 0.740 241 E HN 0.799 nan 8.360 nan 0.000 0.454 242 Y N 0.286 120.496 120.300 -0.150 0.000 2.097 242 Y HA -0.266 4.284 4.550 0.000 0.000 0.282 242 Y C 1.867 177.657 175.900 -0.183 0.000 1.152 242 Y CA 1.787 59.743 58.100 -0.241 0.000 1.136 242 Y CB -0.398 37.795 38.460 -0.446 0.000 0.975 242 Y HN -0.022 nan 8.280 nan 0.000 0.498 243 F N -0.083 119.945 119.950 0.130 0.000 2.216 243 F HA -0.176 4.351 4.527 -0.000 0.000 0.300 243 F C 2.756 178.565 175.800 0.016 0.000 1.085 243 F CA 1.419 59.473 58.000 0.090 0.000 1.326 243 F CB -0.356 38.743 39.000 0.165 0.000 1.027 243 F HN -0.034 nan 8.300 nan 0.000 0.497 244 R N 0.467 121.062 120.500 0.158 0.000 2.075 244 R HA -0.145 4.196 4.340 0.000 0.000 0.232 244 R C 1.356 177.649 176.300 -0.011 0.000 1.126 244 R CA 2.033 58.175 56.100 0.069 0.000 0.963 244 R CB -0.184 30.140 30.300 0.040 0.000 0.858 244 R HN 0.187 nan 8.270 nan 0.000 0.435 245 D N -0.488 119.860 120.400 -0.087 0.000 2.369 245 D HA -0.033 4.607 4.640 0.000 0.000 0.231 245 D C 1.600 177.783 176.300 -0.194 0.000 0.967 245 D CA 0.639 54.566 54.000 -0.121 0.000 0.905 245 D CB -0.006 40.726 40.800 -0.112 0.000 1.044 245 D HN 0.129 nan 8.370 nan 0.000 0.487 246 Q N 0.278 119.839 119.800 -0.398 0.000 2.403 246 Q HA 0.082 4.422 4.340 0.000 0.000 0.203 246 Q C 0.748 176.535 176.000 -0.355 0.000 0.932 246 Q CA 0.427 55.932 55.803 -0.496 0.000 0.945 246 Q CB 1.091 29.233 28.738 -0.993 0.000 1.045 246 Q HN 0.395 nan 8.270 nan 0.000 0.511 247 E N -0.885 119.196 120.200 -0.199 0.000 2.603 247 E HA 0.177 4.527 4.350 0.000 0.000 0.224 247 E C 0.348 176.968 176.600 0.034 0.000 0.896 247 E CA 0.371 56.769 56.400 -0.004 0.000 1.224 247 E CB 0.642 30.448 29.700 0.178 0.000 1.206 247 E HN 0.294 nan 8.360 nan 0.000 0.576 248 G N 2.269 111.068 108.800 -0.001 0.000 2.395 248 G HA2 -0.321 3.639 3.960 0.000 0.000 0.300 248 G HA3 -0.321 3.639 3.960 0.000 0.000 0.300 248 G C -0.052 174.868 174.900 0.034 0.000 0.998 248 G CA 1.224 46.329 45.100 0.008 0.000 1.046 248 G HN 0.214 nan 8.290 nan 0.000 0.513 249 Q N -0.659 119.187 119.800 0.076 0.000 2.399 249 Q HA 0.533 4.873 4.340 0.000 0.000 0.276 249 Q C -0.602 175.446 176.000 0.081 0.000 1.098 249 Q CA -0.827 55.020 55.803 0.073 0.000 0.827 249 Q CB 1.132 29.945 28.738 0.125 0.000 1.386 249 Q HN 0.196 nan 8.270 nan 0.000 0.443 250 D N 0.722 121.149 120.400 0.045 0.000 2.401 250 D HA 0.220 4.860 4.640 0.000 0.000 0.254 250 D C -0.958 175.473 176.300 0.218 0.000 1.192 250 D CA 0.320 54.390 54.000 0.116 0.000 0.885 250 D CB 0.588 41.426 40.800 0.064 0.000 1.147 250 D HN 0.136 nan 8.370 nan 0.000 0.478 251 V N 3.657 123.659 119.914 0.147 0.000 2.628 251 V HA 0.402 4.522 4.120 0.000 0.000 0.306 251 V C 0.182 176.209 176.094 -0.111 0.000 1.045 251 V CA -0.897 61.446 62.300 0.072 0.000 0.905 251 V CB 1.737 33.624 31.823 0.107 0.000 0.997 251 V HN 0.327 nan 8.190 nan 0.000 0.436 252 L N 5.005 126.080 121.223 -0.247 0.000 2.307 252 L HA 0.613 4.953 4.340 0.000 0.000 0.284 252 L C -0.835 175.815 176.870 -0.366 0.000 1.023 252 L CA -0.586 54.000 54.840 -0.423 0.000 0.810 252 L CB 1.624 43.387 42.059 -0.493 0.000 1.231 252 L HN 0.445 nan 8.230 nan 0.000 0.423 253 L N 3.898 124.813 121.223 -0.512 0.000 2.349 253 L HA 0.588 4.928 4.340 0.000 0.000 0.278 253 L C -1.358 175.160 176.870 -0.587 0.000 0.996 253 L CA 0.114 54.725 54.840 -0.380 0.000 0.825 253 L CB 1.136 43.053 42.059 -0.236 0.000 1.243 253 L HN 0.220 nan 8.230 nan 0.000 0.412 254 F N 5.979 125.832 119.950 -0.162 0.000 2.444 254 F HA 0.622 5.149 4.527 -0.000 0.000 0.342 254 F C -0.057 175.396 175.800 -0.577 0.000 1.121 254 F CA -0.497 57.353 58.000 -0.250 0.000 0.997 254 F CB 1.520 40.508 39.000 -0.019 0.000 1.130 254 F HN 0.230 nan 8.300 nan 0.000 0.454 255 I N 2.930 123.300 120.570 -0.334 0.000 2.447 255 I HA 0.290 4.461 4.170 0.000 0.000 0.287 255 I C -1.307 174.619 176.117 -0.318 0.000 1.023 255 I CA -0.507 60.532 61.300 -0.435 0.000 1.083 255 I CB 1.877 39.700 38.000 -0.294 0.000 1.245 255 I HN 0.430 nan 8.210 nan 0.000 0.434 256 D N 6.306 126.494 120.400 -0.355 0.000 2.421 256 D HA 0.288 4.928 4.640 0.000 0.000 0.254 256 D C -1.319 174.976 176.300 -0.008 0.000 1.238 256 D CA -0.187 53.775 54.000 -0.063 0.000 0.919 256 D CB 1.130 42.021 40.800 0.151 0.000 1.152 256 D HN 0.428 nan 8.370 nan 0.000 0.552 257 N N 4.250 122.964 118.700 0.022 0.000 2.310 257 N HA 0.143 4.883 4.740 0.000 0.000 0.292 257 N C 0.409 175.952 175.510 0.055 0.000 1.049 257 N CA -0.485 52.594 53.050 0.048 0.000 0.849 257 N CB 1.666 40.233 38.487 0.134 0.000 1.532 257 N HN 0.254 nan 8.380 nan 0.000 0.479 258 I N 3.833 124.405 120.570 0.003 0.000 2.614 258 I HA -0.053 4.117 4.170 0.000 0.000 0.258 258 I C 1.749 177.930 176.117 0.106 0.000 1.189 258 I CA 0.707 61.997 61.300 -0.016 0.000 1.462 258 I CB -0.499 37.413 38.000 -0.147 0.000 1.092 258 I HN 0.633 nan 8.210 nan 0.000 0.442 259 F N 1.551 121.523 119.950 0.035 0.000 2.154 259 F HA -0.276 4.251 4.527 -0.000 0.000 0.301 259 F C 2.327 178.214 175.800 0.145 0.000 1.087 259 F CA 1.625 59.694 58.000 0.115 0.000 1.274 259 F CB -0.375 38.736 39.000 0.185 0.000 1.009 259 F HN -0.012 nan 8.300 nan 0.000 0.485 260 R N 0.031 120.542 120.500 0.019 0.000 2.152 260 R HA -0.210 4.130 4.340 0.000 0.000 0.232 260 R C 2.226 178.456 176.300 -0.116 0.000 1.117 260 R CA 1.514 57.550 56.100 -0.108 0.000 0.981 260 R CB -1.799 28.525 30.300 0.040 0.000 0.870 260 R HN 0.521 nan 8.270 nan 0.000 0.451 261 F N 1.650 121.498 119.950 -0.170 0.000 2.095 261 F HA -0.231 4.297 4.527 0.001 0.000 0.298 261 F C 1.992 177.692 175.800 -0.167 0.000 1.104 261 F CA 1.885 59.800 58.000 -0.141 0.000 1.232 261 F CB -0.292 38.638 39.000 -0.116 0.000 0.987 261 F HN -0.101 nan 8.300 nan 0.000 0.475 262 T N 0.033 114.533 114.554 -0.090 0.000 2.812 262 T HA -0.199 4.151 4.350 0.000 0.000 0.264 262 T C 1.860 176.411 174.700 -0.247 0.000 1.042 262 T CA 1.354 63.343 62.100 -0.185 0.000 1.140 262 T CB -0.345 68.496 68.868 -0.045 0.000 0.870 262 T HN 0.442 nan 8.240 nan 0.000 0.445 263 Q N 0.788 120.309 119.800 -0.465 0.000 2.061 263 Q HA -0.138 4.202 4.340 0.000 0.000 0.204 263 Q C 2.489 178.369 176.000 -0.200 0.000 0.984 263 Q CA 1.654 57.245 55.803 -0.353 0.000 0.846 263 Q CB -0.320 28.066 28.738 -0.586 0.000 0.902 263 Q HN 0.523 nan 8.270 nan 0.000 0.421 264 A N 0.449 123.133 122.820 -0.225 0.000 1.908 264 A HA -0.148 4.172 4.320 0.000 0.000 0.218 264 A C 2.275 179.750 177.584 -0.183 0.000 1.181 264 A CA 1.721 53.653 52.037 -0.175 0.000 0.627 264 A CB -1.397 17.499 19.000 -0.173 0.000 0.818 264 A HN 0.628 nan 8.150 nan 0.000 0.445 265 G N -1.030 107.612 108.800 -0.263 0.000 2.440 265 G HA2 -0.224 3.736 3.960 0.000 0.000 0.218 265 G HA3 -0.224 3.736 3.960 0.000 0.000 0.218 265 G C 1.912 176.753 174.900 -0.098 0.000 1.154 265 G CA 1.480 46.445 45.100 -0.225 0.000 0.767 265 G HN 0.548 nan 8.290 nan 0.000 0.552 266 S N 0.172 115.844 115.700 -0.046 0.000 2.368 266 S HA -0.104 4.366 4.470 0.000 0.000 0.225 266 S C 2.268 176.844 174.600 -0.039 0.000 1.030 266 S CA 1.798 60.000 58.200 0.003 0.000 0.999 266 S CB -0.269 62.943 63.200 0.019 0.000 0.844 266 S HN 0.603 nan 8.310 nan 0.000 0.459 267 E N 0.344 120.509 120.200 -0.059 0.000 2.077 267 E HA -0.129 4.221 4.350 0.000 0.000 0.193 267 E C 2.243 178.817 176.600 -0.043 0.000 0.989 267 E CA 1.659 58.029 56.400 -0.051 0.000 0.800 267 E CB -0.325 29.343 29.700 -0.053 0.000 0.746 267 E HN 0.640 nan 8.360 nan 0.000 0.452 268 V N -1.194 118.688 119.914 -0.053 0.000 2.453 268 V HA -0.176 3.944 4.120 0.000 0.000 0.247 268 V C 2.298 178.374 176.094 -0.031 0.000 1.048 268 V CA 1.940 64.214 62.300 -0.043 0.000 1.049 268 V CB -0.360 31.431 31.823 -0.054 0.000 0.672 268 V HN 0.124 nan 8.190 nan 0.000 0.457 269 S N 0.894 116.576 115.700 -0.030 0.000 2.370 269 S HA -0.139 4.331 4.470 0.000 0.000 0.226 269 S C 2.167 176.762 174.600 -0.009 0.000 1.033 269 S CA 1.830 60.022 58.200 -0.014 0.000 1.011 269 S CB -0.686 62.513 63.200 -0.002 0.000 0.852 269 S HN 1.015 nan 8.310 nan 0.000 0.457 270 A N 0.864 123.676 122.820 -0.014 0.000 1.972 270 A HA 0.040 4.360 4.320 0.000 0.000 0.219 270 A C 2.070 179.647 177.584 -0.011 0.000 1.169 270 A CA 1.342 53.371 52.037 -0.013 0.000 0.635 270 A CB -0.576 18.411 19.000 -0.021 0.000 0.810 270 A HN 0.589 nan 8.150 nan 0.000 0.446 271 L N -1.090 120.125 121.223 -0.013 0.000 2.341 271 L HA 0.070 4.410 4.340 0.000 0.000 0.214 271 L C 1.924 178.791 176.870 -0.005 0.000 1.115 271 L CA 0.251 55.086 54.840 -0.010 0.000 0.820 271 L CB -0.195 41.857 42.059 -0.012 0.000 0.944 271 L HN 0.300 nan 8.230 nan 0.000 0.452 272 L N -0.304 120.916 121.223 -0.005 0.000 2.554 272 L HA 0.142 4.482 4.340 0.000 0.000 0.226 272 L C 1.560 178.432 176.870 0.002 0.000 1.137 272 L CA 0.610 55.450 54.840 -0.001 0.000 0.863 272 L CB -0.443 41.615 42.059 -0.002 0.000 0.985 272 L HN 0.453 nan 8.230 nan 0.000 0.451 273 G N 0.490 109.291 108.800 0.001 0.000 2.148 273 G HA2 -0.320 3.640 3.960 0.000 0.000 0.254 273 G HA3 -0.320 3.640 3.960 0.000 0.000 0.254 273 G C 0.334 175.238 174.900 0.006 0.000 0.981 273 G CA -0.027 45.075 45.100 0.003 0.000 0.670 273 G HN 0.282 nan 8.290 nan 0.000 0.528 274 R N -0.350 120.154 120.500 0.007 0.000 2.697 274 R HA 0.369 4.709 4.340 0.000 0.000 0.265 274 R C 1.282 177.590 176.300 0.013 0.000 1.009 274 R CA 0.111 56.217 56.100 0.011 0.000 1.099 274 R CB 0.203 30.511 30.300 0.013 0.000 0.965 274 R HN 0.390 nan 8.270 nan 0.000 0.428 275 I N 5.735 126.314 120.570 0.015 0.000 2.598 275 I HA 0.061 4.231 4.170 0.000 0.000 0.284 275 I C -1.473 174.658 176.117 0.024 0.000 1.140 275 I CA -1.381 59.929 61.300 0.017 0.000 1.420 275 I CB 0.388 38.399 38.000 0.017 0.000 1.387 275 I HN 0.426 nan 8.210 nan 0.000 0.553 276 P HA 0.107 nan 4.420 nan 0.000 0.274 276 P C -0.372 176.958 177.300 0.050 0.000 1.237 276 P CA -0.314 62.808 63.100 0.036 0.000 0.793 276 P CB 1.370 33.084 31.700 0.024 0.000 0.977 277 S N 0.365 116.111 115.700 0.077 0.000 2.590 277 S HA 0.605 5.075 4.470 0.000 0.000 0.282 277 S C 0.018 174.681 174.600 0.106 0.000 1.136 277 S CA -0.441 57.812 58.200 0.089 0.000 1.030 277 S CB 0.065 63.328 63.200 0.105 0.000 1.195 277 S HN 0.622 nan 8.310 nan 0.000 0.506 278 A N 0.308 123.200 122.820 0.121 0.000 2.531 278 A HA 0.410 4.730 4.320 0.000 0.000 0.236 278 A C 0.945 178.643 177.584 0.189 0.000 1.062 278 A CA 0.360 52.475 52.037 0.129 0.000 0.760 278 A CB -0.742 18.330 19.000 0.119 0.000 0.995 278 A HN 1.622 nan 8.150 nan 0.000 0.501 279 V N 1.127 121.116 119.914 0.124 0.000 3.774 279 V HA -0.306 3.814 4.120 0.000 0.000 0.216 279 V C 1.739 177.801 176.094 -0.053 0.000 0.441 279 V CA 1.613 63.963 62.300 0.083 0.000 0.985 279 V CB -2.500 29.438 31.823 0.193 0.000 1.085 279 V HN 2.927 nan 8.190 nan 0.000 1.240 280 G N -2.472 106.320 108.800 -0.014 0.000 2.162 280 G HA2 -0.347 3.613 3.960 0.000 0.000 0.260 280 G HA3 -0.347 3.613 3.960 0.000 0.000 0.260 280 G C -0.099 174.752 174.900 -0.082 0.000 0.976 280 G CA 0.423 45.482 45.100 -0.068 0.000 0.655 280 G HN 0.875 nan 8.290 nan 0.000 0.533 281 Y N 1.567 121.889 120.300 0.037 0.000 2.314 281 Y HA 0.363 4.913 4.550 0.001 0.000 0.334 281 Y C 1.492 177.401 175.900 0.015 0.000 1.266 281 Y CA -0.104 58.013 58.100 0.029 0.000 1.391 281 Y CB 0.502 38.991 38.460 0.048 0.000 1.306 281 Y HN 0.397 nan 8.280 nan 0.000 0.558 282 Q N 3.980 123.910 119.800 0.217 0.000 2.315 282 Q HA -0.018 4.322 4.340 0.000 0.000 0.289 282 Q C -2.275 173.782 176.000 0.095 0.000 1.044 282 Q CA -1.287 54.579 55.803 0.106 0.000 0.920 282 Q CB 0.754 29.528 28.738 0.059 0.000 1.214 282 Q HN 0.422 nan 8.270 nan 0.000 0.392 283 P HA -0.098 nan 4.420 nan 0.000 0.225 283 P C 0.793 178.118 177.300 0.043 0.000 1.148 283 P CA 1.314 64.446 63.100 0.053 0.000 0.779 283 P CB -0.032 31.691 31.700 0.039 0.000 0.780 284 T N -3.923 110.654 114.554 0.037 0.000 3.206 284 T HA 0.160 4.510 4.350 0.000 0.000 0.253 284 T C 1.532 176.254 174.700 0.036 0.000 1.042 284 T CA -0.353 61.766 62.100 0.032 0.000 0.931 284 T CB -0.915 67.966 68.868 0.021 0.000 1.029 284 T HN -0.043 nan 8.240 nan 0.000 0.564 285 L N 1.099 122.342 121.223 0.032 0.000 1.997 285 L HA -0.121 4.219 4.340 0.000 0.000 0.216 285 L C 2.783 179.683 176.870 0.049 0.000 1.074 285 L CA 2.128 56.976 54.840 0.014 0.000 0.763 285 L CB -0.674 41.352 42.059 -0.055 0.000 0.890 285 L HN 0.405 nan 8.230 nan 0.000 0.434 286 A N -0.893 121.959 122.820 0.055 0.000 1.897 286 A HA -0.177 4.143 4.320 0.000 0.000 0.215 286 A C 2.329 179.976 177.584 0.104 0.000 1.181 286 A CA 1.958 54.048 52.037 0.089 0.000 0.620 286 A CB -1.134 17.912 19.000 0.076 0.000 0.821 286 A HN 0.636 nan 8.150 nan 0.000 0.443 287 T N -1.910 112.691 114.554 0.079 0.000 2.777 287 T HA -0.141 4.209 4.350 0.000 0.000 0.266 287 T C 1.377 176.131 174.700 0.089 0.000 1.040 287 T CA 1.452 63.597 62.100 0.076 0.000 1.141 287 T CB -0.510 68.390 68.868 0.054 0.000 0.868 287 T HN 0.324 nan 8.240 nan 0.000 0.444 288 D N 0.985 121.445 120.400 0.101 0.000 2.104 288 D HA -0.070 4.570 4.640 0.000 0.000 0.194 288 D C 1.986 178.430 176.300 0.240 0.000 0.994 288 D CA 1.133 55.230 54.000 0.162 0.000 0.830 288 D CB -0.424 40.449 40.800 0.122 0.000 0.959 288 D HN 0.399 nan 8.370 nan 0.000 0.452 289 M N 0.294 120.008 119.600 0.190 0.000 2.132 289 M HA -0.074 4.406 4.480 0.000 0.000 0.263 289 M C 2.034 178.246 176.300 -0.147 0.000 1.065 289 M CA 1.931 57.257 55.300 0.043 0.000 1.122 289 M CB -0.171 32.456 32.600 0.045 0.000 1.365 289 M HN 0.021 nan 8.290 nan 0.000 0.411 290 G N -0.409 108.393 108.800 0.004 0.000 2.418 290 G HA2 -0.257 3.703 3.960 0.000 0.000 0.217 290 G HA3 -0.257 3.703 3.960 0.000 0.000 0.217 290 G C 1.445 176.343 174.900 -0.002 0.000 1.158 290 G CA 1.516 46.648 45.100 0.052 0.000 0.771 290 G HN 0.602 nan 8.290 nan 0.000 0.545 291 T N -1.606 112.961 114.554 0.022 0.000 2.867 291 T HA -0.060 4.290 4.350 0.000 0.000 0.268 291 T C 2.218 176.906 174.700 -0.020 0.000 1.057 291 T CA 1.549 63.665 62.100 0.026 0.000 1.136 291 T CB -0.146 68.761 68.868 0.066 0.000 0.874 291 T HN 0.141 nan 8.240 nan 0.000 0.466 292 M N 0.469 120.019 119.600 -0.085 0.000 2.134 292 M HA 0.022 4.502 4.480 0.000 0.000 0.262 292 M C 2.281 178.418 176.300 -0.272 0.000 1.076 292 M CA 1.444 56.614 55.300 -0.217 0.000 1.143 292 M CB -0.720 31.590 32.600 -0.484 0.000 1.346 292 M HN 0.170 nan 8.290 nan 0.000 0.421 293 Q N 0.598 120.189 119.800 -0.350 0.000 2.124 293 Q HA -0.136 4.204 4.340 0.000 0.000 0.202 293 Q C 1.740 177.640 176.000 -0.167 0.000 0.977 293 Q CA 1.223 56.814 55.803 -0.354 0.000 0.850 293 Q CB -0.464 27.860 28.738 -0.690 0.000 0.901 293 Q HN 0.562 nan 8.270 nan 0.000 0.429 294 E N 0.446 120.594 120.200 -0.088 0.000 2.401 294 E HA -0.137 4.213 4.350 0.000 0.000 0.199 294 E C 1.745 178.327 176.600 -0.030 0.000 1.023 294 E CA 0.545 56.939 56.400 -0.010 0.000 0.859 294 E CB -0.015 29.704 29.700 0.033 0.000 0.780 294 E HN 0.325 nan 8.360 nan 0.000 0.523 295 R N -0.018 120.444 120.500 -0.064 0.000 2.210 295 R HA 0.169 4.509 4.340 0.000 0.000 0.203 295 R C 0.993 177.248 176.300 -0.076 0.000 1.010 295 R CA 0.153 56.217 56.100 -0.060 0.000 1.008 295 R CB 0.232 30.492 30.300 -0.066 0.000 0.923 295 R HN 0.061 nan 8.270 nan 0.000 0.469 296 I N 1.836 122.344 120.570 -0.105 0.000 2.278 296 I HA 0.047 4.217 4.170 0.000 0.000 0.300 296 I C -0.079 175.987 176.117 -0.085 0.000 1.174 296 I CA 0.318 61.550 61.300 -0.114 0.000 1.347 296 I CB 0.392 38.297 38.000 -0.160 0.000 1.473 296 I HN -0.064 nan 8.210 nan 0.000 0.595 297 T N 2.812 117.326 114.554 -0.066 0.000 2.957 297 T HA 0.223 4.573 4.350 0.000 0.000 0.336 297 T C -0.287 174.387 174.700 -0.045 0.000 1.462 297 T CA -0.370 61.700 62.100 -0.051 0.000 1.073 297 T CB 1.544 70.392 68.868 -0.033 0.000 1.319 297 T HN 0.299 nan 8.240 nan 0.000 0.485 298 T N 3.584 118.112 114.554 -0.043 0.000 2.918 298 T HA 0.549 4.899 4.350 0.000 0.000 0.302 298 T C 0.509 175.186 174.700 -0.038 0.000 1.045 298 T CA 0.004 62.083 62.100 -0.035 0.000 1.114 298 T CB 0.581 69.430 68.868 -0.033 0.000 0.965 298 T HN 0.881 nan 8.240 nan 0.000 0.540 299 T N -0.292 114.241 114.554 -0.035 0.000 2.831 299 T HA 0.471 4.821 4.350 0.000 0.000 0.287 299 T C 0.958 175.633 174.700 -0.042 0.000 1.070 299 T CA -1.096 60.978 62.100 -0.043 0.000 1.010 299 T CB 1.466 70.311 68.868 -0.038 0.000 1.264 299 T HN 0.386 nan 8.240 nan 0.000 0.532 300 K N -0.072 120.298 120.400 -0.049 0.000 2.280 300 K HA -0.039 4.281 4.320 0.000 0.000 0.202 300 K C 2.039 178.620 176.600 -0.032 0.000 1.047 300 K CA 1.026 57.287 56.287 -0.043 0.000 0.942 300 K CB -0.075 32.396 32.500 -0.048 0.000 0.739 300 K HN 0.510 nan 8.250 nan 0.000 0.457 301 K N -0.163 120.218 120.400 -0.031 0.000 2.243 301 K HA -0.003 4.317 4.320 0.000 0.000 0.201 301 K C 0.362 176.950 176.600 -0.020 0.000 1.051 301 K CA 0.649 56.920 56.287 -0.027 0.000 0.970 301 K CB 0.514 32.995 32.500 -0.032 0.000 0.755 301 K HN 0.202 nan 8.250 nan 0.000 0.465 302 G N -0.913 107.878 108.800 -0.015 0.000 2.489 302 G HA2 0.178 4.138 3.960 0.000 0.000 0.291 302 G HA3 0.178 4.138 3.960 0.000 0.000 0.291 302 G C -1.764 173.137 174.900 0.001 0.000 1.487 302 G CA -0.690 44.409 45.100 -0.001 0.000 0.795 302 G HN -0.068 nan 8.290 nan 0.000 0.513 303 S N -0.498 115.211 115.700 0.015 0.000 2.462 303 S HA 0.728 5.198 4.470 0.000 0.000 0.294 303 S C -0.156 174.452 174.600 0.014 0.000 1.144 303 S CA -0.650 57.557 58.200 0.011 0.000 1.088 303 S CB 0.303 63.517 63.200 0.023 0.000 1.009 303 S HN 0.439 nan 8.310 nan 0.000 0.484 304 I N 4.325 124.883 120.570 -0.019 0.000 2.411 304 I HA 0.231 4.401 4.170 0.000 0.000 0.284 304 I C -0.244 175.816 176.117 -0.095 0.000 1.012 304 I CA -0.491 60.776 61.300 -0.055 0.000 1.119 304 I CB 2.025 39.987 38.000 -0.063 0.000 1.261 304 I HN 0.464 nan 8.210 nan 0.000 0.448 305 T N 4.438 118.910 114.554 -0.136 0.000 2.727 305 T HA 0.249 4.599 4.350 0.000 0.000 0.298 305 T C 0.230 174.745 174.700 -0.309 0.000 0.942 305 T CA -0.501 61.489 62.100 -0.184 0.000 0.997 305 T CB 0.400 69.172 68.868 -0.161 0.000 0.917 305 T HN 0.665 nan 8.240 nan 0.000 0.487 306 S N 2.323 117.856 115.700 -0.278 0.000 2.475 306 S HA 0.707 5.177 4.470 0.000 0.000 0.298 306 S C -0.476 173.921 174.600 -0.338 0.000 1.119 306 S CA -0.809 57.193 58.200 -0.330 0.000 1.085 306 S CB 1.320 64.375 63.200 -0.241 0.000 1.028 306 S HN 0.371 nan 8.310 nan 0.000 0.489 307 V N 3.541 123.229 119.914 -0.377 0.000 2.409 307 V HA 0.429 4.549 4.120 0.000 0.000 0.290 307 V C -0.627 175.373 176.094 -0.157 0.000 1.017 307 V CA -0.533 61.623 62.300 -0.240 0.000 0.841 307 V CB 1.127 32.897 31.823 -0.088 0.000 1.003 307 V HN 0.964 nan 8.190 nan 0.000 0.426 308 Q N 3.192 122.886 119.800 -0.178 0.000 2.333 308 Q HA 0.734 5.074 4.340 0.000 0.000 0.268 308 Q C -0.106 175.794 176.000 -0.167 0.000 1.007 308 Q CA -0.529 55.166 55.803 -0.180 0.000 0.810 308 Q CB 2.529 31.132 28.738 -0.225 0.000 1.264 308 Q HN 0.874 nan 8.270 nan 0.000 0.452 309 A N 3.694 126.454 122.820 -0.099 0.000 2.401 309 A HA 0.475 4.795 4.320 0.000 0.000 0.259 309 A C -0.328 177.190 177.584 -0.110 0.000 1.103 309 A CA -0.119 51.877 52.037 -0.068 0.000 0.789 309 A CB 0.052 19.069 19.000 0.029 0.000 1.035 309 A HN 0.767 nan 8.150 nan 0.000 0.491 310 I N 2.900 123.357 120.570 -0.189 0.000 2.466 310 I HA 0.157 4.327 4.170 0.000 0.000 0.279 310 I C -0.682 175.381 176.117 -0.090 0.000 1.033 310 I CA -0.414 60.745 61.300 -0.236 0.000 1.123 310 I CB 1.087 38.620 38.000 -0.777 0.000 1.237 310 I HN 0.748 nan 8.210 nan 0.000 0.460 311 Y N 6.964 127.213 120.300 -0.085 0.000 2.411 311 Y HA 0.361 4.911 4.550 0.000 0.000 0.333 311 Y C -0.317 175.360 175.900 -0.372 0.000 1.186 311 Y CA 0.058 58.032 58.100 -0.211 0.000 1.381 311 Y CB 0.894 39.207 38.460 -0.245 0.000 1.273 311 Y HN 0.255 nan 8.280 nan 0.000 0.546 312 V N 8.632 127.956 119.914 -0.985 0.000 2.326 312 V HA 0.291 4.411 4.120 0.000 0.000 0.281 312 V C -2.330 173.267 176.094 -0.829 0.000 1.015 312 V CA -2.133 59.787 62.300 -0.633 0.000 0.823 312 V CB 1.048 32.718 31.823 -0.256 0.000 1.009 312 V HN 0.712 nan 8.190 nan 0.000 0.436 313 P HA 0.159 nan 4.420 nan 0.000 0.267 313 P C 0.642 177.881 177.300 -0.101 0.000 1.209 313 P CA 0.622 63.615 63.100 -0.178 0.000 0.763 313 P CB 0.732 32.476 31.700 0.073 0.000 0.816 314 A N 4.030 126.818 122.820 -0.053 0.000 2.771 314 A HA -0.264 4.056 4.320 0.000 0.000 0.294 314 A C 0.915 178.467 177.584 -0.053 0.000 1.500 314 A CA 1.271 53.295 52.037 -0.021 0.000 0.829 314 A CB -2.554 16.459 19.000 0.021 0.000 0.998 314 A HN 0.620 nan 8.150 nan 0.000 0.526 315 D N -2.037 118.290 120.400 -0.122 0.000 3.077 315 D HA -0.185 4.455 4.640 0.000 0.000 0.217 315 D C -0.172 176.096 176.300 -0.055 0.000 1.162 315 D CA 2.128 56.068 54.000 -0.100 0.000 0.943 315 D CB -1.212 39.553 40.800 -0.058 0.000 1.122 315 D HN 0.973 nan 8.370 nan 0.000 0.413 316 D N 0.280 120.656 120.400 -0.040 0.000 2.441 316 D HA 0.208 4.848 4.640 0.000 0.000 0.221 316 D C 1.408 177.728 176.300 0.034 0.000 1.156 316 D CA -0.299 53.704 54.000 0.006 0.000 0.896 316 D CB 0.149 40.967 40.800 0.030 0.000 1.028 316 D HN 0.143 nan 8.370 nan 0.000 0.509 317 L N 2.552 123.800 121.223 0.042 0.000 2.362 317 L HA -0.084 4.257 4.340 0.000 0.000 0.219 317 L C 2.227 179.173 176.870 0.126 0.000 1.134 317 L CA 1.287 56.189 54.840 0.103 0.000 0.807 317 L CB -0.352 41.755 42.059 0.081 0.000 0.927 317 L HN 0.499 nan 8.230 nan 0.000 0.447 318 T N -4.696 109.903 114.554 0.075 0.000 3.129 318 T HA -0.062 4.289 4.350 0.000 0.000 0.251 318 T C 0.774 175.538 174.700 0.106 0.000 1.117 318 T CA -0.399 61.745 62.100 0.072 0.000 1.034 318 T CB -0.296 68.594 68.868 0.036 0.000 0.968 318 T HN 0.191 nan 8.240 nan 0.000 0.526 319 D N 2.665 123.144 120.400 0.130 0.000 2.493 319 D HA 0.027 4.667 4.640 0.000 0.000 0.240 319 D C -1.474 174.922 176.300 0.161 0.000 1.142 319 D CA -1.404 52.705 54.000 0.182 0.000 0.872 319 D CB 1.526 42.455 40.800 0.214 0.000 1.173 319 D HN 0.039 nan 8.370 nan 0.000 0.467 320 P HA -0.192 nan 4.420 nan 0.000 0.217 320 P C 0.828 178.077 177.300 -0.085 0.000 1.148 320 P CA 1.732 64.818 63.100 -0.023 0.000 0.834 320 P CB 0.147 31.768 31.700 -0.132 0.000 0.783 321 A N 0.383 123.139 122.820 -0.107 0.000 1.828 321 A HA -0.119 4.201 4.320 0.000 0.000 0.215 321 A C -0.007 177.689 177.584 0.188 0.000 1.203 321 A CA 2.249 54.316 52.037 0.051 0.000 0.614 321 A CB -2.236 16.980 19.000 0.361 0.000 0.844 321 A HN 0.211 nan 8.150 nan 0.000 0.445 322 P HA -0.096 nan 4.420 nan 0.000 0.218 322 P C 1.522 179.026 177.300 0.340 0.000 1.149 322 P CA 1.914 65.193 63.100 0.297 0.000 0.817 322 P CB -0.186 31.698 31.700 0.308 0.000 0.785 323 A N -0.010 123.003 122.820 0.322 0.000 1.933 323 A HA -0.121 4.199 4.320 0.000 0.000 0.218 323 A C 2.221 180.008 177.584 0.337 0.000 1.175 323 A CA 2.235 54.495 52.037 0.373 0.000 0.628 323 A CB -1.820 17.296 19.000 0.194 0.000 0.814 323 A HN 0.214 nan 8.150 nan 0.000 0.444 324 T N -0.552 114.138 114.554 0.226 0.000 3.023 324 T HA -0.032 4.318 4.350 0.000 0.000 0.266 324 T C 1.797 176.660 174.700 0.271 0.000 1.093 324 T CA 1.523 63.740 62.100 0.195 0.000 1.129 324 T CB -0.227 68.719 68.868 0.129 0.000 0.899 324 T HN 0.542 nan 8.240 nan 0.000 0.491 325 T N 1.698 116.413 114.554 0.268 0.000 2.904 325 T HA 0.065 4.415 4.350 0.000 0.000 0.267 325 T C 1.506 176.376 174.700 0.283 0.000 1.059 325 T CA 0.616 62.864 62.100 0.247 0.000 1.137 325 T CB -0.485 68.422 68.868 0.066 0.000 0.879 325 T HN 0.313 nan 8.240 nan 0.000 0.467 326 F N 2.151 122.296 119.950 0.325 0.000 2.063 326 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 326 F C 2.677 178.544 175.800 0.112 0.000 1.109 326 F CA 1.291 59.426 58.000 0.225 0.000 1.212 326 F CB -0.581 38.438 39.000 0.032 0.000 0.973 326 F HN 0.147 nan 8.300 nan 0.000 0.480 327 A N -1.727 121.213 122.820 0.200 0.000 2.216 327 A HA -0.134 4.186 4.320 0.000 0.000 0.214 327 A C 1.453 178.972 177.584 -0.109 0.000 1.160 327 A CA 0.976 53.016 52.037 0.005 0.000 0.725 327 A CB -0.924 18.020 19.000 -0.093 0.000 0.784 327 A HN 0.479 nan 8.150 nan 0.000 0.472 328 H N -0.965 118.157 119.070 0.088 0.000 2.526 328 H HA 0.340 4.896 4.556 0.000 0.000 0.274 328 H C -0.262 175.078 175.328 0.019 0.000 0.999 328 H CA 0.314 56.382 56.048 0.032 0.000 1.157 328 H CB 0.038 29.797 29.762 -0.005 0.000 1.407 328 H HN 0.345 nan 8.280 nan 0.000 0.568 329 L N 0.148 121.453 121.223 0.136 0.000 2.354 329 L HA 0.230 4.570 4.340 0.000 0.000 0.269 329 L C 0.669 177.590 176.870 0.085 0.000 1.005 329 L CA -0.665 54.233 54.840 0.098 0.000 0.819 329 L CB 2.193 44.330 42.059 0.130 0.000 1.311 329 L HN -0.132 nan 8.230 nan 0.000 0.423 330 D N 0.920 121.351 120.400 0.053 0.000 2.277 330 D HA 0.175 4.815 4.640 0.000 0.000 0.209 330 D C 0.322 176.673 176.300 0.085 0.000 0.970 330 D CA 0.611 54.645 54.000 0.056 0.000 0.874 330 D CB 0.863 41.681 40.800 0.031 0.000 0.982 330 D HN 0.502 nan 8.370 nan 0.000 0.504 331 A N 0.550 123.422 122.820 0.087 0.000 2.422 331 A HA 0.597 4.917 4.320 0.000 0.000 0.302 331 A C -0.464 177.223 177.584 0.170 0.000 1.041 331 A CA -0.582 51.547 52.037 0.154 0.000 0.708 331 A CB 1.593 20.737 19.000 0.241 0.000 1.257 331 A HN -0.007 nan 8.150 nan 0.000 0.414 332 T N -0.790 113.913 114.554 0.247 0.000 2.848 332 T HA 0.698 5.048 4.350 0.000 0.000 0.285 332 T C -0.575 174.316 174.700 0.319 0.000 0.995 332 T CA -0.502 61.789 62.100 0.320 0.000 0.970 332 T CB 1.389 70.485 68.868 0.381 0.000 0.976 332 T HN 0.480 nan 8.240 nan 0.000 0.441 333 T N 3.073 117.836 114.554 0.347 0.000 2.842 333 T HA 0.480 4.830 4.350 0.000 0.000 0.308 333 T C -0.159 174.729 174.700 0.313 0.000 1.041 333 T CA -0.557 61.725 62.100 0.305 0.000 0.964 333 T CB 0.814 69.878 68.868 0.328 0.000 0.972 333 T HN 0.643 nan 8.240 nan 0.000 0.460 334 V N 5.724 125.783 119.914 0.241 0.000 2.364 334 V HA 0.385 4.505 4.120 0.000 0.000 0.272 334 V C 0.216 176.398 176.094 0.147 0.000 1.036 334 V CA -0.763 61.663 62.300 0.211 0.000 0.880 334 V CB 0.802 32.695 31.823 0.116 0.000 0.991 334 V HN 0.740 nan 8.190 nan 0.000 0.460 335 L N 3.737 125.050 121.223 0.150 0.000 2.379 335 L HA 0.612 4.952 4.340 0.000 0.000 0.269 335 L C 0.398 177.304 176.870 0.059 0.000 1.084 335 L CA 0.020 54.920 54.840 0.100 0.000 0.802 335 L CB 1.638 43.764 42.059 0.111 0.000 1.175 335 L HN 0.654 nan 8.230 nan 0.000 0.448 336 S N 0.926 116.642 115.700 0.026 0.000 2.561 336 S HA 0.315 4.785 4.470 0.000 0.000 0.303 336 S C 0.610 175.199 174.600 -0.018 0.000 1.110 336 S CA -0.774 57.426 58.200 0.000 0.000 1.034 336 S CB 1.683 64.876 63.200 -0.011 0.000 1.010 336 S HN 0.717 nan 8.310 nan 0.000 0.482 337 R N 3.525 124.016 120.500 -0.016 0.000 2.081 337 R HA -0.053 4.287 4.340 0.000 0.000 0.235 337 R C 2.093 178.372 176.300 -0.035 0.000 1.131 337 R CA 1.838 57.927 56.100 -0.017 0.000 0.960 337 R CB -0.660 29.633 30.300 -0.010 0.000 0.856 337 R HN 0.775 nan 8.270 nan 0.000 0.436 338 A N 1.158 123.957 122.820 -0.035 0.000 1.908 338 A HA -0.161 4.159 4.320 0.000 0.000 0.218 338 A C 2.144 179.694 177.584 -0.057 0.000 1.181 338 A CA 1.519 53.532 52.037 -0.040 0.000 0.627 338 A CB -0.507 18.470 19.000 -0.037 0.000 0.818 338 A HN 0.372 nan 8.150 nan 0.000 0.445 339 I N -0.427 120.104 120.570 -0.066 0.000 2.202 339 I HA -0.260 3.910 4.170 0.000 0.000 0.242 339 I C 3.003 179.009 176.117 -0.185 0.000 1.091 339 I CA 0.996 62.241 61.300 -0.091 0.000 1.368 339 I CB -0.451 37.508 38.000 -0.068 0.000 1.058 339 I HN 0.365 nan 8.210 nan 0.000 0.410 340 A N 0.632 123.314 122.820 -0.230 0.000 1.908 340 A HA -0.246 4.074 4.320 0.000 0.000 0.218 340 A C 2.177 179.596 177.584 -0.275 0.000 1.181 340 A CA 1.813 53.591 52.037 -0.432 0.000 0.627 340 A CB -0.641 18.241 19.000 -0.198 0.000 0.818 340 A HN 0.474 nan 8.150 nan 0.000 0.445 341 E N -0.390 119.741 120.200 -0.115 0.000 2.268 341 E HA -0.067 4.283 4.350 0.000 0.000 0.195 341 E C 1.572 178.141 176.600 -0.050 0.000 0.995 341 E CA 0.648 57.019 56.400 -0.049 0.000 0.836 341 E CB -0.217 29.469 29.700 -0.023 0.000 0.763 341 E HN 0.635 nan 8.360 nan 0.000 0.491 342 L N -0.475 120.702 121.223 -0.076 0.000 2.552 342 L HA 0.056 4.396 4.340 0.000 0.000 0.227 342 L C 1.480 178.313 176.870 -0.062 0.000 1.146 342 L CA 0.546 55.352 54.840 -0.057 0.000 0.858 342 L CB -0.001 42.034 42.059 -0.041 0.000 0.969 342 L HN 0.313 nan 8.230 nan 0.000 0.451 343 G N 0.057 108.802 108.800 -0.091 0.000 2.175 343 G HA2 -0.218 3.742 3.960 0.000 0.000 0.244 343 G HA3 -0.218 3.742 3.960 0.000 0.000 0.244 343 G C 0.229 175.165 174.900 0.060 0.000 0.982 343 G CA -0.507 44.597 45.100 0.008 0.000 0.641 343 G HN 0.120 nan 8.290 nan 0.000 0.527 344 I N 1.440 121.944 120.570 -0.110 0.000 2.363 344 I HA 0.400 4.570 4.170 0.000 0.000 0.292 344 I C 0.018 175.933 176.117 -0.336 0.000 1.075 344 I CA -0.533 60.731 61.300 -0.059 0.000 1.333 344 I CB -0.629 37.360 38.000 -0.018 0.000 1.415 344 I HN 0.112 nan 8.210 nan 0.000 0.502 345 Y N 7.341 127.617 120.300 -0.040 0.000 2.409 345 Y HA 0.393 4.943 4.550 -0.000 0.000 0.343 345 Y C -1.992 173.720 175.900 -0.315 0.000 0.973 345 Y CA -2.395 55.603 58.100 -0.169 0.000 1.064 345 Y CB 2.200 40.546 38.460 -0.191 0.000 1.207 345 Y HN 0.421 nan 8.280 nan 0.000 0.452 346 P HA 0.046 nan 4.420 nan 0.000 0.271 346 P C -0.427 176.879 177.300 0.010 0.000 1.218 346 P CA -0.123 62.942 63.100 -0.057 0.000 0.780 346 P CB 1.123 32.818 31.700 -0.007 0.000 0.901 347 A N 3.589 126.433 122.820 0.041 0.000 2.810 347 A HA 0.195 4.515 4.320 0.000 0.000 0.247 347 A C 0.536 178.129 177.584 0.015 0.000 1.576 347 A CA -0.279 51.728 52.037 -0.049 0.000 1.294 347 A CB -1.211 17.737 19.000 -0.086 0.000 0.976 347 A HN 0.377 nan 8.150 nan 0.000 0.631 348 V N 1.182 121.119 119.914 0.039 0.000 2.572 348 V HA 0.030 4.150 4.120 0.000 0.000 0.291 348 V C 0.420 176.535 176.094 0.035 0.000 1.039 348 V CA -0.402 61.935 62.300 0.061 0.000 1.055 348 V CB 1.021 32.889 31.823 0.075 0.000 0.969 348 V HN 0.584 nan 8.190 nan 0.000 0.482 349 D N 8.000 128.424 120.400 0.039 0.000 2.352 349 D HA 0.166 4.806 4.640 0.000 0.000 0.245 349 D C -1.242 175.068 176.300 0.017 0.000 1.224 349 D CA -2.045 51.967 54.000 0.020 0.000 0.879 349 D CB 1.674 42.482 40.800 0.013 0.000 1.057 349 D HN 0.284 nan 8.370 nan 0.000 0.491 350 P HA -0.036 nan 4.420 nan 0.000 0.233 350 P C 1.057 178.348 177.300 -0.015 0.000 1.167 350 P CA 0.493 63.588 63.100 -0.008 0.000 0.770 350 P CB 0.398 32.089 31.700 -0.016 0.000 0.837 351 L N -0.995 120.220 121.223 -0.014 0.000 2.769 351 L HA 0.277 4.617 4.340 0.000 0.000 0.240 351 L C 1.020 177.871 176.870 -0.031 0.000 1.163 351 L CA 0.341 55.166 54.840 -0.024 0.000 0.962 351 L CB 0.001 42.044 42.059 -0.027 0.000 1.258 351 L HN -0.159 nan 8.230 nan 0.000 0.513 352 D N -1.009 119.380 120.400 -0.018 0.000 2.562 352 D HA 0.110 4.750 4.640 0.000 0.000 0.246 352 D C -0.166 176.143 176.300 0.014 0.000 1.347 352 D CA 0.209 54.192 54.000 -0.029 0.000 0.800 352 D CB 0.823 41.599 40.800 -0.039 0.000 1.111 352 D HN -0.116 nan 8.370 nan 0.000 0.508 353 S N -0.084 115.638 115.700 0.038 0.000 2.449 353 S HA 0.678 5.148 4.470 0.000 0.000 0.310 353 S C -0.093 174.553 174.600 0.076 0.000 1.096 353 S CA -0.628 57.625 58.200 0.089 0.000 1.095 353 S CB 1.792 65.053 63.200 0.101 0.000 1.007 353 S HN 0.274 nan 8.310 nan 0.000 0.474 354 T N -0.729 113.891 114.554 0.110 0.000 2.901 354 T HA 0.834 5.184 4.350 0.000 0.000 0.293 354 T C -0.677 174.096 174.700 0.122 0.000 1.084 354 T CA -0.855 61.299 62.100 0.090 0.000 1.008 354 T CB 1.898 70.805 68.868 0.065 0.000 1.170 354 T HN 0.440 nan 8.240 nan 0.000 0.509 355 S N -0.844 114.915 115.700 0.097 0.000 2.543 355 S HA 0.392 4.862 4.470 0.000 0.000 0.271 355 S C 0.680 175.326 174.600 0.076 0.000 1.148 355 S CA -0.851 57.412 58.200 0.105 0.000 0.914 355 S CB 1.610 64.877 63.200 0.112 0.000 1.096 355 S HN 0.793 nan 8.310 nan 0.000 0.471 356 R N 2.119 122.661 120.500 0.070 0.000 2.152 356 R HA 0.011 4.351 4.340 0.000 0.000 0.232 356 R C 1.698 178.020 176.300 0.037 0.000 1.117 356 R CA 1.875 58.004 56.100 0.049 0.000 0.981 356 R CB -0.570 29.755 30.300 0.042 0.000 0.870 356 R HN 0.810 nan 8.270 nan 0.000 0.451 357 I N -2.472 118.120 120.570 0.037 0.000 3.684 357 I HA 0.151 4.321 4.170 0.000 0.000 0.304 357 I C 0.658 176.773 176.117 -0.003 0.000 1.278 357 I CA -0.230 61.078 61.300 0.012 0.000 1.272 357 I CB 0.051 38.057 38.000 0.010 0.000 1.029 357 I HN -0.072 nan 8.210 nan 0.000 0.458 358 M N 3.317 122.935 119.600 0.029 0.000 3.070 358 M HA 0.267 4.747 4.480 0.000 0.000 0.275 358 M C -0.922 175.475 176.300 0.161 0.000 1.510 358 M CA 0.009 55.351 55.300 0.070 0.000 1.608 358 M CB -1.351 31.293 32.600 0.074 0.000 1.266 358 M HN 0.295 nan 8.290 nan 0.000 0.514 359 D N 5.263 125.717 120.400 0.090 0.000 2.931 359 D HA 0.317 4.957 4.640 0.000 0.000 0.215 359 D C -2.530 173.667 176.300 -0.172 0.000 1.297 359 D CA -1.147 52.810 54.000 -0.072 0.000 0.892 359 D CB 2.307 43.072 40.800 -0.057 0.000 1.642 359 D HN 0.164 nan 8.370 nan 0.000 0.560 360 P HA -0.090 nan 4.420 nan 0.000 0.218 360 P C 0.749 177.964 177.300 -0.142 0.000 1.148 360 P CA 0.772 63.687 63.100 -0.308 0.000 0.822 360 P CB 0.483 31.895 31.700 -0.479 0.000 0.784 361 N N -0.576 118.040 118.700 -0.140 0.000 2.512 361 N HA 0.014 4.754 4.740 0.000 0.000 0.183 361 N C 1.782 177.260 175.510 -0.053 0.000 1.073 361 N CA 0.726 53.728 53.050 -0.080 0.000 0.911 361 N CB -0.177 38.265 38.487 -0.074 0.000 0.964 361 N HN 0.329 nan 8.380 nan 0.000 0.447 362 I N -0.420 120.116 120.570 -0.058 0.000 2.899 362 I HA -0.050 4.120 4.170 0.000 0.000 0.257 362 I C 1.774 177.868 176.117 -0.038 0.000 1.115 362 I CA 0.379 61.655 61.300 -0.040 0.000 1.451 362 I CB 0.016 37.993 38.000 -0.038 0.000 1.251 362 I HN -0.117 nan 8.210 nan 0.000 0.456 363 V N -0.935 118.939 119.914 -0.065 0.000 3.608 363 V HA 0.529 4.649 4.120 0.000 0.000 0.269 363 V C 0.855 176.968 176.094 0.032 0.000 1.245 363 V CA 0.103 62.351 62.300 -0.085 0.000 1.138 363 V CB -1.105 30.467 31.823 -0.418 0.000 0.841 363 V HN 0.519 nan 8.190 nan 0.000 0.451 364 G N 1.063 109.881 108.800 0.030 0.000 2.705 364 G HA2 -0.126 3.834 3.960 0.000 0.000 0.686 364 G HA3 -0.126 3.834 3.960 0.000 0.000 0.686 364 G C 0.447 175.410 174.900 0.105 0.000 1.285 364 G CA 0.278 45.415 45.100 0.062 0.000 0.800 364 G HN 1.274 nan 8.290 nan 0.000 0.611 365 S N -0.145 115.606 115.700 0.083 0.000 2.399 365 S HA -0.114 4.356 4.470 0.000 0.000 0.231 365 S C 1.786 176.491 174.600 0.175 0.000 1.022 365 S CA 1.922 60.193 58.200 0.118 0.000 0.983 365 S CB -0.128 63.114 63.200 0.070 0.000 0.803 365 S HN 0.945 nan 8.310 nan 0.000 0.480 366 E N 0.976 121.263 120.200 0.145 0.000 2.031 366 E HA -0.264 4.086 4.350 0.000 0.000 0.193 366 E C 2.042 178.750 176.600 0.179 0.000 0.994 366 E CA 1.355 57.837 56.400 0.137 0.000 0.800 366 E CB -0.402 29.360 29.700 0.103 0.000 0.752 366 E HN 0.841 nan 8.360 nan 0.000 0.447 367 H N -1.434 117.692 119.070 0.094 0.000 2.289 367 H HA -0.250 4.306 4.556 0.000 0.000 0.296 367 H C 2.121 177.504 175.328 0.091 0.000 1.091 367 H CA 2.055 58.153 56.048 0.085 0.000 1.274 367 H CB -0.203 29.609 29.762 0.083 0.000 1.364 367 H HN 0.292 nan 8.280 nan 0.000 0.490 368 Y N 1.433 121.855 120.300 0.203 0.000 2.128 368 Y HA -0.250 4.300 4.550 0.000 0.000 0.284 368 Y C 2.048 177.999 175.900 0.085 0.000 1.154 368 Y CA 1.974 60.134 58.100 0.101 0.000 1.149 368 Y CB -0.307 38.173 38.460 0.034 0.000 0.976 368 Y HN 0.346 nan 8.280 nan 0.000 0.505 369 D N -0.633 119.871 120.400 0.173 0.000 2.117 369 D HA -0.176 4.464 4.640 0.000 0.000 0.197 369 D C 2.395 178.695 176.300 -0.001 0.000 0.987 369 D CA 1.690 55.734 54.000 0.072 0.000 0.829 369 D CB -0.496 40.376 40.800 0.120 0.000 0.961 369 D HN 0.312 nan 8.370 nan 0.000 0.460 370 V N 1.334 121.266 119.914 0.031 0.000 2.358 370 V HA -0.207 3.913 4.120 0.000 0.000 0.246 370 V C 2.502 178.572 176.094 -0.040 0.000 1.047 370 V CA 1.672 63.983 62.300 0.018 0.000 1.035 370 V CB -0.807 31.043 31.823 0.045 0.000 0.658 370 V HN 0.174 nan 8.190 nan 0.000 0.452 371 A N 0.241 123.024 122.820 -0.061 0.000 1.865 371 A HA -0.223 4.097 4.320 0.000 0.000 0.217 371 A C 2.331 179.814 177.584 -0.167 0.000 1.191 371 A CA 1.749 53.716 52.037 -0.116 0.000 0.623 371 A CB -0.511 18.455 19.000 -0.057 0.000 0.826 371 A HN 0.393 nan 8.150 nan 0.000 0.444 372 R N -0.476 119.869 120.500 -0.259 0.000 2.120 372 R HA -0.093 4.247 4.340 0.000 0.000 0.234 372 R C 2.308 178.537 176.300 -0.119 0.000 1.123 372 R CA 1.239 57.194 56.100 -0.241 0.000 0.975 372 R CB -1.639 28.442 30.300 -0.364 0.000 0.866 372 R HN 0.560 nan 8.270 nan 0.000 0.446 373 G N 0.262 109.013 108.800 -0.082 0.000 2.402 373 G HA2 -0.182 3.779 3.960 0.000 0.000 0.216 373 G HA3 -0.182 3.779 3.960 0.000 0.000 0.216 373 G C 1.584 176.472 174.900 -0.020 0.000 1.162 373 G CA 0.665 45.746 45.100 -0.031 0.000 0.777 373 G HN 0.170 nan 8.290 nan 0.000 0.539 374 V N 0.541 120.436 119.914 -0.031 0.000 2.343 374 V HA -0.250 3.870 4.120 0.000 0.000 0.247 374 V C 2.919 178.995 176.094 -0.030 0.000 1.051 374 V CA 2.271 64.557 62.300 -0.024 0.000 1.036 374 V CB -0.530 31.235 31.823 -0.096 0.000 0.654 374 V HN 0.436 nan 8.190 nan 0.000 0.451 375 Q N -0.513 119.253 119.800 -0.057 0.000 2.167 375 Q HA -0.223 4.117 4.340 0.000 0.000 0.202 375 Q C 2.359 178.346 176.000 -0.022 0.000 0.970 375 Q CA 1.499 57.275 55.803 -0.045 0.000 0.855 375 Q CB -0.179 28.518 28.738 -0.068 0.000 0.911 375 Q HN 0.583 nan 8.270 nan 0.000 0.438 376 K N 1.074 121.460 120.400 -0.024 0.000 2.026 376 K HA -0.161 4.159 4.320 0.000 0.000 0.208 376 K C 1.994 178.601 176.600 0.012 0.000 1.048 376 K CA 1.086 57.368 56.287 -0.008 0.000 0.929 376 K CB -0.143 32.351 32.500 -0.011 0.000 0.713 376 K HN 0.167 nan 8.250 nan 0.000 0.439 377 I N 1.036 121.615 120.570 0.016 0.000 2.286 377 I HA -0.257 3.913 4.170 0.000 0.000 0.248 377 I C 1.863 178.021 176.117 0.069 0.000 1.115 377 I CA 0.983 62.302 61.300 0.031 0.000 1.392 377 I CB 0.112 38.121 38.000 0.015 0.000 1.065 377 I HN 0.227 nan 8.210 nan 0.000 0.418 378 L N -0.062 121.201 121.223 0.068 0.000 2.093 378 L HA -0.207 4.133 4.340 0.000 0.000 0.208 378 L C 2.530 179.456 176.870 0.094 0.000 1.085 378 L CA 1.043 55.951 54.840 0.113 0.000 0.755 378 L CB -0.567 41.536 42.059 0.073 0.000 0.904 378 L HN 0.312 nan 8.230 nan 0.000 0.435 379 Q N 0.280 120.106 119.800 0.043 0.000 2.123 379 Q HA -0.189 4.152 4.340 0.000 0.000 0.199 379 Q C 1.696 177.713 176.000 0.028 0.000 0.966 379 Q CA 1.605 57.418 55.803 0.016 0.000 0.845 379 Q CB -0.048 28.689 28.738 -0.002 0.000 0.907 379 Q HN 0.345 nan 8.270 nan 0.000 0.439 380 D N -0.880 119.551 120.400 0.051 0.000 2.144 380 D HA -0.164 4.476 4.640 0.000 0.000 0.199 380 D C 1.472 177.840 176.300 0.112 0.000 0.984 380 D CA 0.990 55.026 54.000 0.060 0.000 0.834 380 D CB -0.318 40.513 40.800 0.052 0.000 0.955 380 D HN 0.332 nan 8.370 nan 0.000 0.465 381 Y N 1.847 122.140 120.300 -0.012 0.000 2.200 381 Y HA -0.128 4.422 4.550 0.000 0.000 0.290 381 Y C 2.211 178.104 175.900 -0.012 0.000 1.137 381 Y CA 1.374 59.468 58.100 -0.011 0.000 1.163 381 Y CB -0.292 38.162 38.460 -0.010 0.000 0.988 381 Y HN -0.186 nan 8.280 nan 0.000 0.518 382 K N -0.315 120.013 120.400 -0.121 0.000 2.009 382 K HA -0.131 4.189 4.320 0.000 0.000 0.210 382 K C 1.715 178.229 176.600 -0.143 0.000 1.049 382 K CA 1.860 58.019 56.287 -0.213 0.000 0.929 382 K CB -0.382 32.049 32.500 -0.116 0.000 0.714 382 K HN 0.208 nan 8.250 nan 0.000 0.440 383 S N 0.678 116.338 115.700 -0.065 0.000 2.851 383 S HA 0.107 4.577 4.470 0.000 0.000 0.227 383 S C 0.908 175.486 174.600 -0.036 0.000 0.958 383 S CA 0.163 58.334 58.200 -0.049 0.000 0.990 383 S CB -0.030 63.152 63.200 -0.031 0.000 0.790 383 S HN 0.252 nan 8.310 nan 0.000 0.509 384 L N -0.067 121.129 121.223 -0.045 0.000 2.693 384 L HA 0.213 4.553 4.340 0.000 0.000 0.235 384 L C 2.060 178.898 176.870 -0.053 0.000 1.127 384 L CA 0.051 54.880 54.840 -0.019 0.000 0.914 384 L CB 0.033 42.119 42.059 0.045 0.000 1.193 384 L HN 0.115 nan 8.230 nan 0.000 0.502 385 Q N 0.557 120.285 119.800 -0.120 0.000 2.135 385 Q HA -0.220 4.120 4.340 0.000 0.000 0.204 385 Q C 1.599 177.556 176.000 -0.071 0.000 0.981 385 Q CA 1.683 57.406 55.803 -0.134 0.000 0.856 385 Q CB -0.108 28.522 28.738 -0.180 0.000 0.902 385 Q HN 0.366 nan 8.270 nan 0.000 0.425 386 D N -0.519 119.848 120.400 -0.054 0.000 2.087 386 D HA -0.162 4.478 4.640 0.000 0.000 0.192 386 D C 1.860 178.146 176.300 -0.022 0.000 0.993 386 D CA 1.529 55.508 54.000 -0.035 0.000 0.828 386 D CB -0.214 40.569 40.800 -0.029 0.000 0.968 386 D HN 0.359 nan 8.370 nan 0.000 0.448 387 I N 0.435 120.996 120.570 -0.015 0.000 2.315 387 I HA -0.157 4.013 4.170 0.000 0.000 0.248 387 I C 2.519 178.637 176.117 0.002 0.000 1.117 387 I CA 0.613 61.911 61.300 -0.004 0.000 1.404 387 I CB -0.261 37.740 38.000 0.002 0.000 1.071 387 I HN -0.072 nan 8.210 nan 0.000 0.419 388 I N 1.481 122.053 120.570 0.004 0.000 2.226 388 I HA -0.268 3.903 4.170 0.000 0.000 0.245 388 I C 2.895 179.017 176.117 0.007 0.000 1.100 388 I CA 1.354 62.665 61.300 0.018 0.000 1.374 388 I CB -0.449 37.575 38.000 0.040 0.000 1.057 388 I HN 0.210 nan 8.210 nan 0.000 0.413 389 A N 0.858 123.672 122.820 -0.009 0.000 1.978 389 A HA -0.175 4.145 4.320 0.000 0.000 0.220 389 A C 2.221 179.802 177.584 -0.005 0.000 1.170 389 A CA 1.477 53.507 52.037 -0.011 0.000 0.636 389 A CB -0.461 18.526 19.000 -0.022 0.000 0.810 389 A HN 0.329 nan 8.150 nan 0.000 0.448 390 I N -1.179 119.388 120.570 -0.004 0.000 2.364 390 I HA -0.014 4.156 4.170 0.000 0.000 0.241 390 I C 2.118 178.236 176.117 0.002 0.000 1.082 390 I CA 1.130 62.429 61.300 -0.002 0.000 1.401 390 I CB -1.012 36.986 38.000 -0.003 0.000 1.126 390 I HN 0.248 nan 8.210 nan 0.000 0.429 391 L N -0.268 120.958 121.223 0.005 0.000 2.590 391 L HA 0.340 4.680 4.340 0.000 0.000 0.227 391 L C 0.973 177.849 176.870 0.011 0.000 1.099 391 L CA 0.242 55.087 54.840 0.007 0.000 0.872 391 L CB 0.013 42.076 42.059 0.007 0.000 1.088 391 L HN 0.434 nan 8.230 nan 0.000 0.479 392 G N 0.032 108.842 108.800 0.015 0.000 2.796 392 G HA2 -0.291 3.669 3.960 0.000 0.000 0.571 392 G HA3 -0.291 3.669 3.960 0.000 0.000 0.571 392 G C 0.184 175.101 174.900 0.028 0.000 1.370 392 G CA -0.089 45.024 45.100 0.022 0.000 0.856 392 G HN 0.017 nan 8.290 nan 0.000 0.538 393 M N -0.075 119.545 119.600 0.033 0.000 2.419 393 M HA 0.044 4.524 4.480 0.000 0.000 0.264 393 M C 1.681 177.995 176.300 0.023 0.000 1.082 393 M CA 1.268 56.590 55.300 0.036 0.000 1.119 393 M CB -0.132 32.489 32.600 0.036 0.000 1.398 393 M HN 0.530 nan 8.290 nan 0.000 0.453 394 D N 0.535 120.945 120.400 0.017 0.000 2.348 394 D HA -0.098 4.542 4.640 0.000 0.000 0.216 394 D C 1.663 177.970 176.300 0.012 0.000 0.970 394 D CA 0.884 54.892 54.000 0.012 0.000 0.889 394 D CB 0.027 40.834 40.800 0.010 0.000 0.912 394 D HN 0.356 nan 8.370 nan 0.000 0.524 395 E N 0.199 120.407 120.200 0.014 0.000 2.385 395 E HA 0.064 4.414 4.350 0.000 0.000 0.194 395 E C 1.014 177.622 176.600 0.013 0.000 1.013 395 E CA -0.039 56.368 56.400 0.012 0.000 0.866 395 E CB 0.449 30.156 29.700 0.011 0.000 0.832 395 E HN 0.349 nan 8.360 nan 0.000 0.500 396 L N 1.776 123.009 121.223 0.016 0.000 2.473 396 L HA 0.033 4.373 4.340 0.000 0.000 0.268 396 L C 1.114 177.992 176.870 0.013 0.000 1.215 396 L CA -0.347 54.504 54.840 0.018 0.000 0.823 396 L CB 0.254 42.329 42.059 0.026 0.000 1.099 396 L HN -0.047 nan 8.230 nan 0.000 0.483 397 S N -0.021 115.686 115.700 0.012 0.000 2.580 397 S HA -0.022 4.448 4.470 0.000 0.000 0.266 397 S C 0.866 175.471 174.600 0.007 0.000 1.354 397 S CA -0.350 57.855 58.200 0.009 0.000 1.008 397 S CB 1.034 64.239 63.200 0.008 0.000 0.898 397 S HN 0.694 nan 8.310 nan 0.000 0.555 398 E N 0.615 120.818 120.200 0.005 0.000 2.118 398 E HA -0.193 4.157 4.350 0.000 0.000 0.195 398 E C 1.956 178.556 176.600 0.001 0.000 0.992 398 E CA 1.824 58.226 56.400 0.003 0.000 0.804 398 E CB -0.255 29.447 29.700 0.002 0.000 0.741 398 E HN 0.850 nan 8.360 nan 0.000 0.458 399 E N -0.099 120.103 120.200 0.003 0.000 2.038 399 E HA -0.244 4.106 4.350 0.000 0.000 0.195 399 E C 1.306 177.908 176.600 0.003 0.000 1.000 399 E CA 1.705 58.106 56.400 0.002 0.000 0.803 399 E CB -0.073 29.629 29.700 0.004 0.000 0.750 399 E HN 0.264 nan 8.360 nan 0.000 0.448 400 D N 0.147 120.552 120.400 0.009 0.000 2.178 400 D HA -0.097 4.543 4.640 0.000 0.000 0.202 400 D C 1.767 178.073 176.300 0.010 0.000 0.974 400 D CA 0.791 54.801 54.000 0.017 0.000 0.841 400 D CB -0.075 40.741 40.800 0.026 0.000 0.953 400 D HN 0.122 nan 8.370 nan 0.000 0.478 401 K N -0.044 120.358 120.400 0.003 0.000 2.097 401 K HA -0.113 4.207 4.320 0.000 0.000 0.206 401 K C 1.983 178.566 176.600 -0.028 0.000 1.049 401 K CA 0.389 56.671 56.287 -0.008 0.000 0.933 401 K CB -0.173 32.325 32.500 -0.004 0.000 0.717 401 K HN 0.080 nan 8.250 nan 0.000 0.442 402 L N 1.166 122.376 121.223 -0.022 0.000 2.046 402 L HA -0.180 4.160 4.340 0.000 0.000 0.208 402 L C 2.405 179.245 176.870 -0.049 0.000 1.077 402 L CA 2.204 57.025 54.840 -0.030 0.000 0.747 402 L CB -0.865 41.184 42.059 -0.018 0.000 0.896 402 L HN 0.280 nan 8.230 nan 0.000 0.432 403 T N -4.408 110.124 114.554 -0.038 0.000 2.867 403 T HA -0.111 4.239 4.350 0.000 0.000 0.268 403 T C 1.848 176.483 174.700 -0.107 0.000 1.057 403 T CA 1.333 63.407 62.100 -0.044 0.000 1.136 403 T CB -0.949 67.918 68.868 -0.002 0.000 0.874 403 T HN 0.138 nan 8.240 nan 0.000 0.466 404 V N 2.723 122.563 119.914 -0.124 0.000 2.358 404 V HA -0.150 3.970 4.120 0.000 0.000 0.246 404 V C 3.239 179.120 176.094 -0.355 0.000 1.047 404 V CA 2.022 64.142 62.300 -0.300 0.000 1.035 404 V CB -0.878 30.865 31.823 -0.133 0.000 0.658 404 V HN 0.796 nan 8.190 nan 0.000 0.452 405 S N 0.477 116.061 115.700 -0.194 0.000 2.368 405 S HA -0.241 4.229 4.470 0.000 0.000 0.225 405 S C 2.082 176.570 174.600 -0.187 0.000 1.030 405 S CA 1.444 59.547 58.200 -0.161 0.000 0.999 405 S CB -0.474 62.673 63.200 -0.089 0.000 0.844 405 S HN 0.556 nan 8.310 nan 0.000 0.459 406 R N 1.314 121.713 120.500 -0.168 0.000 2.073 406 R HA 0.188 4.528 4.340 0.000 0.000 0.229 406 R C 2.806 178.996 176.300 -0.183 0.000 1.120 406 R CA 1.110 57.108 56.100 -0.169 0.000 0.967 406 R CB -0.728 29.507 30.300 -0.107 0.000 0.862 406 R HN 0.564 nan 8.270 nan 0.000 0.436 407 A N 1.201 123.897 122.820 -0.207 0.000 1.902 407 A HA -0.176 4.144 4.320 0.000 0.000 0.217 407 A C 2.055 179.508 177.584 -0.219 0.000 1.181 407 A CA 1.254 53.175 52.037 -0.193 0.000 0.623 407 A CB -0.347 18.503 19.000 -0.250 0.000 0.818 407 A HN 0.207 nan 8.150 nan 0.000 0.443 408 R N -0.396 119.892 120.500 -0.353 0.000 2.115 408 R HA -0.086 4.254 4.340 0.000 0.000 0.230 408 R C 2.139 178.368 176.300 -0.120 0.000 1.111 408 R CA 1.604 57.572 56.100 -0.220 0.000 0.976 408 R CB -0.202 29.956 30.300 -0.236 0.000 0.870 408 R HN 0.516 nan 8.270 nan 0.000 0.445 409 K N 0.301 120.575 120.400 -0.211 0.000 2.062 409 K HA -0.045 4.275 4.320 0.000 0.000 0.205 409 K C 2.011 178.451 176.600 -0.267 0.000 1.051 409 K CA 1.037 57.100 56.287 -0.373 0.000 0.941 409 K CB -0.033 31.991 32.500 -0.793 0.000 0.719 409 K HN 0.105 nan 8.250 nan 0.000 0.440 410 I N 1.474 121.969 120.570 -0.126 0.000 2.226 410 I HA -0.325 3.846 4.170 0.000 0.000 0.245 410 I C 2.481 178.741 176.117 0.238 0.000 1.100 410 I CA 1.375 62.759 61.300 0.140 0.000 1.374 410 I CB -0.162 37.939 38.000 0.168 0.000 1.057 410 I HN 0.236 nan 8.210 nan 0.000 0.413 411 Q N 0.175 120.053 119.800 0.130 0.000 2.077 411 Q HA -0.268 4.072 4.340 0.000 0.000 0.206 411 Q C 2.392 178.499 176.000 0.178 0.000 0.989 411 Q CA 1.797 57.686 55.803 0.144 0.000 0.853 411 Q CB -0.120 28.692 28.738 0.122 0.000 0.907 411 Q HN 0.426 nan 8.270 nan 0.000 0.418 412 R N -0.691 119.922 120.500 0.189 0.000 2.073 412 R HA -0.096 4.244 4.340 0.000 0.000 0.229 412 R C 1.924 178.404 176.300 0.301 0.000 1.120 412 R CA 0.998 57.266 56.100 0.279 0.000 0.967 412 R CB -0.206 30.282 30.300 0.313 0.000 0.862 412 R HN 0.170 nan 8.270 nan 0.000 0.436 413 F N 0.860 120.875 119.950 0.108 0.000 2.451 413 F HA -0.003 4.524 4.527 0.000 0.000 0.299 413 F C 1.406 177.324 175.800 0.196 0.000 1.101 413 F CA 0.922 58.945 58.000 0.039 0.000 1.436 413 F CB 0.073 38.919 39.000 -0.257 0.000 1.074 413 F HN -0.054 nan 8.300 nan 0.000 0.553 414 L N -0.503 120.893 121.223 0.288 0.000 2.395 414 L HA -0.022 4.318 4.340 0.000 0.000 0.218 414 L C 1.446 178.345 176.870 0.047 0.000 1.130 414 L CA 0.364 55.329 54.840 0.208 0.000 0.826 414 L CB -0.719 41.437 42.059 0.162 0.000 0.941 414 L HN 0.110 nan 8.230 nan 0.000 0.451 415 S N -0.294 115.420 115.700 0.022 0.000 2.603 415 S HA 0.338 4.808 4.470 0.000 0.000 0.268 415 S C -0.328 174.190 174.600 -0.137 0.000 1.317 415 S CA -0.464 57.696 58.200 -0.066 0.000 1.012 415 S CB 1.847 64.996 63.200 -0.086 0.000 0.926 415 S HN 0.274 nan 8.310 nan 0.000 0.539 416 Q N 0.765 120.463 119.800 -0.170 0.000 2.378 416 Q HA 0.359 4.699 4.340 0.000 0.000 0.262 416 Q C -3.093 172.836 176.000 -0.118 0.000 0.978 416 Q CA -1.829 53.907 55.803 -0.111 0.000 0.918 416 Q CB 2.224 30.983 28.738 0.036 0.000 1.415 416 Q HN 0.556 nan 8.270 nan 0.000 0.409 417 P HA 0.104 nan 4.420 nan 0.000 0.271 417 P C -0.975 176.492 177.300 0.278 0.000 1.226 417 P CA 0.454 63.577 63.100 0.039 0.000 0.765 417 P CB 0.160 31.879 31.700 0.032 0.000 0.835 418 F N 1.532 121.498 119.950 0.027 0.000 2.385 418 F HA 0.190 4.717 4.527 -0.000 0.000 0.336 418 F C 2.260 178.077 175.800 0.028 0.000 1.100 418 F CA -0.761 57.257 58.000 0.029 0.000 1.116 418 F CB 1.603 40.627 39.000 0.040 0.000 1.166 418 F HN 0.362 nan 8.300 nan 0.000 0.511 419 Q N 1.366 121.260 119.800 0.157 0.000 2.197 419 Q HA -0.149 4.191 4.340 0.000 0.000 0.207 419 Q C 1.710 177.757 176.000 0.079 0.000 0.984 419 Q CA 1.286 57.134 55.803 0.075 0.000 0.869 419 Q CB 0.096 28.841 28.738 0.012 0.000 0.906 419 Q HN 0.606 nan 8.270 nan 0.000 0.426 420 V N -0.618 119.365 119.914 0.114 0.000 2.951 420 V HA 0.000 4.120 4.120 0.000 0.000 0.255 420 V C 1.187 177.377 176.094 0.161 0.000 1.088 420 V CA 1.260 63.626 62.300 0.110 0.000 1.109 420 V CB 0.337 32.218 31.823 0.097 0.000 0.724 420 V HN 0.347 nan 8.190 nan 0.000 0.471 421 A N -0.988 121.963 122.820 0.219 0.000 2.610 421 A HA 0.247 4.568 4.320 0.000 0.000 0.286 421 A C 1.525 179.192 177.584 0.140 0.000 1.306 421 A CA -0.192 51.999 52.037 0.257 0.000 0.942 421 A CB -0.262 18.876 19.000 0.230 0.000 1.112 421 A HN 0.505 nan 8.150 nan 0.000 0.527 422 E N -0.455 119.772 120.200 0.045 0.000 2.153 422 E HA -0.132 4.218 4.350 0.000 0.000 0.194 422 E C 1.560 178.096 176.600 -0.107 0.000 0.988 422 E CA 1.215 57.612 56.400 -0.005 0.000 0.811 422 E CB -0.073 29.622 29.700 -0.009 0.000 0.746 422 E HN 0.448 nan 8.360 nan 0.000 0.466 423 V N 0.466 120.219 119.914 -0.270 0.000 2.490 423 V HA -0.226 3.894 4.120 0.000 0.000 0.250 423 V C 1.693 177.523 176.094 -0.439 0.000 1.061 423 V CA 1.671 63.700 62.300 -0.451 0.000 1.064 423 V CB -0.446 30.942 31.823 -0.725 0.000 0.670 423 V HN 0.228 nan 8.190 nan 0.000 0.461 424 F N 0.451 120.381 119.950 -0.034 0.000 2.317 424 F HA -0.048 4.480 4.527 0.000 0.000 0.293 424 F C 2.694 178.482 175.800 -0.020 0.000 1.085 424 F CA 1.190 59.163 58.000 -0.045 0.000 1.390 424 F CB -0.820 38.118 39.000 -0.103 0.000 1.077 424 F HN 0.223 nan 8.300 nan 0.000 0.517 425 T N -2.999 111.648 114.554 0.156 0.000 2.937 425 T HA 0.263 4.613 4.350 0.000 0.000 0.260 425 T C 1.965 176.696 174.700 0.051 0.000 1.051 425 T CA 0.893 63.093 62.100 0.166 0.000 1.141 425 T CB -0.355 68.634 68.868 0.202 0.000 0.879 425 T HN 0.449 nan 8.240 nan 0.000 0.459 426 G N 0.951 109.718 108.800 -0.056 0.000 2.176 426 G HA2 -0.199 3.761 3.960 0.000 0.000 0.253 426 G HA3 -0.199 3.761 3.960 0.000 0.000 0.253 426 G C -0.118 174.584 174.900 -0.330 0.000 0.979 426 G CA 0.260 45.235 45.100 -0.208 0.000 0.641 426 G HN 0.840 nan 8.290 nan 0.000 0.530 427 H N -1.235 117.840 119.070 0.007 0.000 2.569 427 H HA 0.634 5.190 4.556 0.000 0.000 0.357 427 H C 0.211 175.543 175.328 0.007 0.000 1.153 427 H CA -0.967 55.084 56.048 0.004 0.000 1.193 427 H CB 1.763 31.524 29.762 -0.002 0.000 1.602 427 H HN 0.241 nan 8.280 nan 0.000 0.523 428 L N 1.968 123.270 121.223 0.131 0.000 2.490 428 L HA 0.209 4.549 4.340 0.000 0.000 0.274 428 L C 0.842 177.765 176.870 0.090 0.000 1.201 428 L CA 0.389 55.277 54.840 0.080 0.000 0.869 428 L CB 0.135 42.227 42.059 0.055 0.000 1.123 428 L HN 0.835 nan 8.230 nan 0.000 0.484 429 G N 4.274 113.122 108.800 0.079 0.000 2.491 429 G HA2 0.256 4.216 3.960 0.000 0.000 0.238 429 G HA3 0.256 4.216 3.960 0.000 0.000 0.238 429 G C -0.540 174.401 174.900 0.069 0.000 1.277 429 G CA -0.519 44.639 45.100 0.097 0.000 0.851 429 G HN 0.584 nan 8.290 nan 0.000 0.573 430 K N 0.765 121.214 120.400 0.082 0.000 2.371 430 K HA 0.446 4.767 4.320 0.000 0.000 0.251 430 K C -1.258 175.367 176.600 0.042 0.000 0.934 430 K CA -0.704 55.612 56.287 0.049 0.000 0.798 430 K CB 2.809 35.328 32.500 0.031 0.000 1.204 430 K HN 0.376 nan 8.250 nan 0.000 0.427 431 L N 2.438 123.672 121.223 0.017 0.000 2.349 431 L HA 0.439 4.779 4.340 0.000 0.000 0.278 431 L C -1.185 175.690 176.870 0.008 0.000 0.996 431 L CA -0.904 53.938 54.840 0.004 0.000 0.825 431 L CB 1.709 43.762 42.059 -0.009 0.000 1.243 431 L HN 0.243 nan 8.230 nan 0.000 0.412 432 V N 5.591 125.510 119.914 0.008 0.000 2.417 432 V HA 0.445 4.565 4.120 0.000 0.000 0.291 432 V C -2.116 173.989 176.094 0.018 0.000 1.024 432 V CA -1.846 60.462 62.300 0.013 0.000 0.861 432 V CB 1.306 33.131 31.823 0.003 0.000 0.985 432 V HN 0.665 nan 8.190 nan 0.000 0.436 433 P HA 0.059 nan 4.420 nan 0.000 0.267 433 P C 0.756 178.076 177.300 0.033 0.000 1.200 433 P CA -0.239 62.878 63.100 0.029 0.000 0.772 433 P CB 0.711 32.430 31.700 0.032 0.000 0.855 434 L N 3.954 125.195 121.223 0.030 0.000 2.013 434 L HA -0.221 4.119 4.340 0.000 0.000 0.212 434 L C 1.883 178.764 176.870 0.018 0.000 1.073 434 L CA 2.046 56.900 54.840 0.023 0.000 0.753 434 L CB -0.796 41.289 42.059 0.043 0.000 0.890 434 L HN 0.232 nan 8.230 nan 0.000 0.432 435 K N -0.063 120.357 120.400 0.034 0.000 2.103 435 K HA -0.185 4.135 4.320 0.000 0.000 0.207 435 K C 2.018 178.653 176.600 0.057 0.000 1.048 435 K CA 1.802 58.113 56.287 0.040 0.000 0.930 435 K CB -0.208 32.318 32.500 0.044 0.000 0.716 435 K HN 0.601 nan 8.250 nan 0.000 0.444 436 E N -0.253 119.987 120.200 0.066 0.000 2.107 436 E HA -0.082 4.268 4.350 0.000 0.000 0.191 436 E C 1.915 178.600 176.600 0.143 0.000 0.982 436 E CA 1.077 57.533 56.400 0.093 0.000 0.809 436 E CB -0.011 29.737 29.700 0.079 0.000 0.756 436 E HN 0.247 nan 8.360 nan 0.000 0.459 437 T N 1.992 116.624 114.554 0.131 0.000 2.708 437 T HA -0.138 4.212 4.350 0.000 0.000 0.266 437 T C 1.925 176.807 174.700 0.304 0.000 1.037 437 T CA 0.857 63.089 62.100 0.221 0.000 1.146 437 T CB -0.092 68.849 68.868 0.122 0.000 0.865 437 T HN 0.062 nan 8.240 nan 0.000 0.435 438 I N 1.502 122.140 120.570 0.114 0.000 2.163 438 I HA -0.159 4.011 4.170 0.000 0.000 0.243 438 I C 2.450 178.662 176.117 0.158 0.000 1.085 438 I CA 1.568 62.912 61.300 0.073 0.000 1.347 438 I CB -1.095 36.884 38.000 -0.035 0.000 1.044 438 I HN 0.288 nan 8.210 nan 0.000 0.408 439 K N 0.914 121.395 120.400 0.136 0.000 2.026 439 K HA -0.149 4.171 4.320 0.000 0.000 0.208 439 K C 2.200 178.889 176.600 0.147 0.000 1.048 439 K CA 1.658 58.019 56.287 0.124 0.000 0.929 439 K CB -0.404 32.155 32.500 0.098 0.000 0.713 439 K HN 0.348 nan 8.250 nan 0.000 0.439 440 G N 0.383 109.293 108.800 0.184 0.000 2.446 440 G HA2 -0.238 3.723 3.960 0.000 0.000 0.217 440 G HA3 -0.238 3.723 3.960 0.000 0.000 0.217 440 G C 1.255 176.149 174.900 -0.010 0.000 1.168 440 G CA 0.828 45.982 45.100 0.089 0.000 0.771 440 G HN 0.294 nan 8.290 nan 0.000 0.551 441 F N 0.503 120.597 119.950 0.240 0.000 2.325 441 F HA 0.065 4.592 4.527 0.000 0.000 0.299 441 F C 2.841 178.684 175.800 0.072 0.000 1.090 441 F CA 1.265 59.360 58.000 0.158 0.000 1.392 441 F CB -0.130 38.959 39.000 0.148 0.000 1.053 441 F HN 0.170 nan 8.300 nan 0.000 0.521 442 Q N 0.391 120.327 119.800 0.226 0.000 2.050 442 Q HA -0.250 4.091 4.340 0.000 0.000 0.202 442 Q C 2.141 178.189 176.000 0.080 0.000 0.980 442 Q CA 1.803 57.683 55.803 0.128 0.000 0.840 442 Q CB -0.099 28.701 28.738 0.102 0.000 0.898 442 Q HN 0.466 nan 8.270 nan 0.000 0.424 443 Q N -0.073 119.774 119.800 0.078 0.000 2.124 443 Q HA -0.148 4.192 4.340 0.000 0.000 0.202 443 Q C 2.120 178.132 176.000 0.021 0.000 0.977 443 Q CA 1.450 57.272 55.803 0.033 0.000 0.850 443 Q CB -0.056 28.750 28.738 0.113 0.000 0.901 443 Q HN 0.476 nan 8.270 nan 0.000 0.429 444 I N 0.512 121.118 120.570 0.060 0.000 2.142 444 I HA -0.300 3.870 4.170 0.000 0.000 0.240 444 I C 2.188 178.296 176.117 -0.014 0.000 1.078 444 I CA 1.102 62.402 61.300 -0.001 0.000 1.343 444 I CB -0.315 37.595 38.000 -0.150 0.000 1.046 444 I HN 0.200 nan 8.210 nan 0.000 0.405 445 L N 0.699 121.937 121.223 0.027 0.000 2.079 445 L HA -0.231 4.109 4.340 0.000 0.000 0.210 445 L C 2.658 179.529 176.870 0.001 0.000 1.081 445 L CA 1.361 56.214 54.840 0.022 0.000 0.752 445 L CB -0.605 41.484 42.059 0.050 0.000 0.896 445 L HN 0.280 nan 8.230 nan 0.000 0.433 446 A N -0.726 122.091 122.820 -0.005 0.000 2.168 446 A HA 0.160 4.480 4.320 0.000 0.000 0.215 446 A C 1.784 179.345 177.584 -0.038 0.000 1.152 446 A CA 0.932 52.956 52.037 -0.021 0.000 0.716 446 A CB -0.492 18.491 19.000 -0.029 0.000 0.794 446 A HN 0.565 nan 8.150 nan 0.000 0.465 447 G N -0.875 107.899 108.800 -0.043 0.000 2.141 447 G HA2 -0.269 3.691 3.960 0.000 0.000 0.242 447 G HA3 -0.269 3.691 3.960 0.000 0.000 0.242 447 G C 0.504 175.369 174.900 -0.059 0.000 0.982 447 G CA 0.593 45.670 45.100 -0.037 0.000 0.662 447 G HN 0.570 nan 8.290 nan 0.000 0.527 448 E N -1.106 118.997 120.200 -0.162 0.000 2.265 448 E HA -0.045 4.305 4.350 0.000 0.000 0.196 448 E C 0.891 177.239 176.600 -0.420 0.000 0.996 448 E CA 1.006 57.196 56.400 -0.350 0.000 0.832 448 E CB -0.059 29.290 29.700 -0.584 0.000 0.756 448 E HN 0.805 nan 8.360 nan 0.000 0.491 449 Y N -0.583 119.746 120.300 0.049 0.000 2.716 449 Y HA 0.123 4.673 4.550 0.000 0.000 0.260 449 Y C 0.768 176.604 175.900 -0.105 0.000 1.141 449 Y CA -0.690 57.370 58.100 -0.067 0.000 1.168 449 Y CB 0.641 39.152 38.460 0.085 0.000 1.189 449 Y HN -0.110 nan 8.280 nan 0.000 0.549 450 D N 0.143 120.605 120.400 0.104 0.000 2.221 450 D HA -0.194 4.446 4.640 0.000 0.000 0.204 450 D C 2.052 178.410 176.300 0.097 0.000 0.982 450 D CA 1.580 55.626 54.000 0.078 0.000 0.857 450 D CB -0.092 40.753 40.800 0.075 0.000 0.934 450 D HN 0.610 nan 8.370 nan 0.000 0.475 451 H N -0.527 118.594 119.070 0.084 0.000 2.502 451 H HA 0.081 4.637 4.556 0.000 0.000 0.283 451 H C 0.954 176.338 175.328 0.093 0.000 1.015 451 H CA 0.034 56.123 56.048 0.070 0.000 1.298 451 H CB -0.456 29.335 29.762 0.049 0.000 1.411 451 H HN 0.114 nan 8.280 nan 0.000 0.556 452 L N 3.648 124.701 121.223 -0.285 0.000 2.397 452 L HA 0.205 4.545 4.340 0.000 0.000 0.271 452 L C -1.883 175.016 176.870 0.047 0.000 1.148 452 L CA -1.853 52.906 54.840 -0.136 0.000 0.825 452 L CB 0.663 42.596 42.059 -0.209 0.000 1.117 452 L HN 0.072 nan 8.230 nan 0.000 0.456 453 P HA 0.066 nan 4.420 nan 0.000 0.271 453 P C -0.036 177.348 177.300 0.139 0.000 1.218 453 P CA -0.221 62.909 63.100 0.050 0.000 0.780 453 P CB 0.871 32.575 31.700 0.005 0.000 0.901 454 E N 1.317 121.605 120.200 0.147 0.000 2.085 454 E HA -0.243 4.107 4.350 0.000 0.000 0.194 454 E C 1.956 178.698 176.600 0.237 0.000 0.994 454 E CA 1.219 57.748 56.400 0.214 0.000 0.801 454 E CB -0.093 29.654 29.700 0.078 0.000 0.743 454 E HN 0.570 nan 8.360 nan 0.000 0.453 455 Q N 0.598 120.464 119.800 0.109 0.000 2.291 455 Q HA -0.096 4.244 4.340 0.000 0.000 0.206 455 Q C 1.999 178.050 176.000 0.084 0.000 0.976 455 Q CA 1.381 57.237 55.803 0.089 0.000 0.875 455 Q CB -0.281 28.473 28.738 0.027 0.000 0.927 455 Q HN 0.212 nan 8.270 nan 0.000 0.450 456 A N 0.663 123.463 122.820 -0.034 0.000 1.972 456 A HA -0.069 4.252 4.320 0.000 0.000 0.219 456 A C 1.520 178.917 177.584 -0.311 0.000 1.169 456 A CA 0.955 52.847 52.037 -0.242 0.000 0.635 456 A CB -0.741 17.978 19.000 -0.468 0.000 0.810 456 A HN 0.354 nan 8.150 nan 0.000 0.446 457 F N -2.525 117.418 119.950 -0.012 0.000 2.789 457 F HA 0.169 4.696 4.527 0.000 0.000 0.300 457 F C 0.757 176.646 175.800 0.148 0.000 1.132 457 F CA -0.153 57.865 58.000 0.029 0.000 1.404 457 F CB -0.228 38.764 39.000 -0.014 0.000 1.114 457 F HN 0.284 nan 8.300 nan 0.000 0.584 458 Y N 1.339 121.716 120.300 0.128 0.000 2.335 458 Y HA 0.279 4.829 4.550 -0.000 0.000 0.331 458 Y C 0.739 176.632 175.900 -0.013 0.000 1.094 458 Y CA -1.550 56.593 58.100 0.073 0.000 1.253 458 Y CB 0.328 38.820 38.460 0.054 0.000 1.203 458 Y HN 0.028 nan 8.280 nan 0.000 0.508 459 M N 5.821 125.032 119.600 -0.647 0.000 2.212 459 M HA -0.170 4.310 4.480 0.000 0.000 0.193 459 M C -1.075 175.003 176.300 -0.371 0.000 0.493 459 M CA 0.970 55.898 55.300 -0.621 0.000 0.427 459 M CB -2.634 29.438 32.600 -0.879 0.000 1.120 459 M HN 0.430 nan 8.290 nan 0.000 0.929 460 V N -3.178 116.626 119.914 -0.185 0.000 3.181 460 V HA 1.081 5.201 4.120 0.000 0.000 0.314 460 V C 0.814 176.866 176.094 -0.069 0.000 1.173 460 V CA -0.091 62.150 62.300 -0.097 0.000 1.052 460 V CB 1.515 33.332 31.823 -0.010 0.000 1.123 460 V HN 0.392 nan 8.190 nan 0.000 0.454 461 G N -0.017 108.769 108.800 -0.024 0.000 2.992 461 G HA2 0.442 4.402 3.960 0.000 0.000 0.195 461 G HA3 0.442 4.402 3.960 0.000 0.000 0.195 461 G C -2.179 172.739 174.900 0.030 0.000 2.032 461 G CA -0.201 44.887 45.100 -0.019 0.000 0.831 461 G HN 0.769 nan 8.290 nan 0.000 0.647 462 P HA 0.160 nan 4.420 nan 0.000 0.274 462 P C 0.616 178.048 177.300 0.219 0.000 1.246 462 P CA -0.526 62.668 63.100 0.157 0.000 0.795 462 P CB 1.583 33.331 31.700 0.080 0.000 1.006 463 I N 0.921 121.610 120.570 0.198 0.000 2.454 463 I HA -0.242 3.928 4.170 0.000 0.000 0.254 463 I C 1.841 177.824 176.117 -0.225 0.000 1.156 463 I CA 1.701 62.904 61.300 -0.160 0.000 1.433 463 I CB -0.706 37.114 38.000 -0.299 0.000 1.082 463 I HN 0.274 nan 8.210 nan 0.000 0.432 464 E N 0.402 120.546 120.200 -0.093 0.000 2.153 464 E HA -0.225 4.126 4.350 0.000 0.000 0.194 464 E C 2.067 178.596 176.600 -0.119 0.000 0.988 464 E CA 1.287 57.631 56.400 -0.094 0.000 0.811 464 E CB -0.204 29.477 29.700 -0.030 0.000 0.746 464 E HN 0.574 nan 8.360 nan 0.000 0.466 465 E N -0.063 120.082 120.200 -0.092 0.000 2.150 465 E HA -0.098 4.252 4.350 0.000 0.000 0.193 465 E C 1.977 178.472 176.600 -0.175 0.000 0.985 465 E CA 0.775 57.119 56.400 -0.095 0.000 0.814 465 E CB -0.074 29.599 29.700 -0.046 0.000 0.752 465 E HN 0.284 nan 8.360 nan 0.000 0.466 466 A N 0.807 123.461 122.820 -0.276 0.000 1.930 466 A HA -0.114 4.206 4.320 0.000 0.000 0.217 466 A C 2.435 179.680 177.584 -0.565 0.000 1.175 466 A CA 0.889 52.615 52.037 -0.518 0.000 0.627 466 A CB -0.444 18.051 19.000 -0.841 0.000 0.815 466 A HN 0.097 nan 8.150 nan 0.000 0.443 467 V N -0.154 119.481 119.914 -0.466 0.000 2.307 467 V HA -0.231 3.889 4.120 0.000 0.000 0.245 467 V C 3.070 179.048 176.094 -0.193 0.000 1.045 467 V CA 1.938 64.044 62.300 -0.323 0.000 1.024 467 V CB -1.203 30.497 31.823 -0.205 0.000 0.651 467 V HN 0.597 nan 8.190 nan 0.000 0.449 468 A N -0.422 122.308 122.820 -0.151 0.000 1.933 468 A HA -0.274 4.046 4.320 0.000 0.000 0.218 468 A C 2.335 179.860 177.584 -0.097 0.000 1.175 468 A CA 2.223 54.203 52.037 -0.095 0.000 0.628 468 A CB -0.492 18.466 19.000 -0.070 0.000 0.814 468 A HN 0.526 nan 8.150 nan 0.000 0.444 469 K N -0.413 119.907 120.400 -0.134 0.000 2.057 469 K HA -0.057 4.263 4.320 0.000 0.000 0.207 469 K C 2.110 178.639 176.600 -0.117 0.000 1.049 469 K CA 1.126 57.344 56.287 -0.115 0.000 0.931 469 K CB -0.290 32.129 32.500 -0.136 0.000 0.714 469 K HN 0.381 nan 8.250 nan 0.000 0.440 470 A N 1.208 123.925 122.820 -0.173 0.000 1.969 470 A HA -0.150 4.170 4.320 0.000 0.000 0.218 470 A C 1.475 179.014 177.584 -0.075 0.000 1.169 470 A CA 1.841 53.792 52.037 -0.143 0.000 0.635 470 A CB -0.390 18.485 19.000 -0.208 0.000 0.810 470 A HN 0.341 nan 8.150 nan 0.000 0.445 471 D N -0.097 120.263 120.400 -0.067 0.000 2.178 471 D HA -0.082 4.558 4.640 0.000 0.000 0.202 471 D C 1.859 178.144 176.300 -0.024 0.000 0.974 471 D CA 1.182 55.162 54.000 -0.033 0.000 0.841 471 D CB -0.168 40.614 40.800 -0.029 0.000 0.953 471 D HN 0.492 nan 8.370 nan 0.000 0.478 472 K N -0.105 120.277 120.400 -0.030 0.000 2.217 472 K HA 0.045 4.365 4.320 0.000 0.000 0.202 472 K C 2.099 178.691 176.600 -0.013 0.000 1.051 472 K CA 0.362 56.638 56.287 -0.018 0.000 0.952 472 K CB 0.109 32.599 32.500 -0.016 0.000 0.736 472 K HN 0.147 nan 8.250 nan 0.000 0.453 473 L N 0.301 121.512 121.223 -0.019 0.000 2.072 473 L HA -0.039 4.301 4.340 0.000 0.000 0.205 473 L C 1.074 177.940 176.870 -0.006 0.000 1.079 473 L CA 0.570 55.403 54.840 -0.012 0.000 0.752 473 L CB -0.047 42.000 42.059 -0.019 0.000 0.906 473 L HN 0.106 nan 8.230 nan 0.000 0.436 474 A N 0.000 122.816 122.820 -0.007 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.038 52.037 0.002 0.000 0.836 474 A CB 0.000 19.005 19.000 0.008 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486