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 1sft_1_B DATA FIRST_RESID 2 DATA SEQUENCE NDFHRDTWAE VDLDAIYDNV ENLRRLLPDD THIMAVVKAN AYGHGDVQVA DATA SEQUENCE RTALEAGASR LAVAFLDEAL ALREKGIEAP ILVLGASRPA DAALAAQQRI DATA SEQUENCE ALTVFRSDWL EEASALYSGP FPIHFHLKMD TGMGRLGVKD EEETKRIVAL DATA SEQUENCE IERHPHFVLE GLYTHFATAD EVNTDYFSYQ YTRFLHMLEW LPSRPPLVHC DATA SEQUENCE ANSAASLRFP DRTFNMVRFG IAMYGLAPSP GIKPLLPYPL KEAFSLHSRL DATA SEQUENCE VHVKKLQPGE KVSYGATYTA QTEEWIGTIP IGYADGWLRR LQHFHVLVDG DATA SEQUENCE QKAPIVGRIC MDQCMIRLPG PLPVGTKVTL IGRQGDEVIS IDDVARHLET DATA SEQUENCE INYEVPCTIS YRVPRIFFRH KRIMEVRNAI 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.543 175.510 0.055 0.000 1.280 2 N CA 0.000 53.088 53.050 0.064 0.000 0.885 2 N CB 0.000 38.544 38.487 0.095 0.000 1.341 3 D N -1.019 119.408 120.400 0.045 0.000 2.643 3 D HA 0.681 5.321 4.640 -0.000 0.000 0.283 3 D C -1.219 175.059 176.300 -0.037 0.000 1.242 3 D CA -0.420 53.545 54.000 -0.058 0.000 0.863 3 D CB 1.244 41.896 40.800 -0.247 0.000 1.382 3 D HN 0.362 nan 8.370 nan 0.000 0.444 4 F N -2.954 116.762 119.950 -0.390 0.000 2.613 4 F HA 0.639 5.166 4.527 -0.000 0.000 0.310 4 F C -0.508 174.956 175.800 -0.559 0.000 1.085 4 F CA -1.014 56.775 58.000 -0.352 0.000 0.945 4 F CB 1.736 40.652 39.000 -0.140 0.000 1.298 4 F HN 0.280 nan 8.300 nan 0.000 0.455 5 H N -0.011 119.152 119.070 0.154 0.000 2.492 5 H HA 0.404 4.960 4.556 -0.000 0.000 0.264 5 H C -0.420 174.969 175.328 0.101 0.000 1.150 5 H CA -0.412 55.666 56.048 0.049 0.000 0.962 5 H CB 0.466 30.244 29.762 0.027 0.000 1.766 5 H HN 0.537 nan 8.280 nan 0.000 0.589 6 R N 0.668 121.325 120.500 0.262 0.000 2.698 6 R HA 0.165 4.505 4.340 -0.000 0.000 0.275 6 R C -1.385 175.111 176.300 0.327 0.000 1.001 6 R CA -0.654 55.581 56.100 0.226 0.000 0.896 6 R CB 1.471 31.874 30.300 0.172 0.000 1.218 6 R HN 0.109 nan 8.270 nan 0.000 0.462 7 D N 2.881 123.438 120.400 0.263 0.000 2.994 7 D HA 0.177 4.817 4.640 -0.000 0.000 0.240 7 D C -0.856 175.695 176.300 0.419 0.000 1.195 7 D CA 0.429 54.663 54.000 0.390 0.000 0.957 7 D CB 0.798 41.768 40.800 0.284 0.000 1.105 7 D HN 0.343 nan 8.370 nan 0.000 0.477 8 T N 0.912 115.699 114.554 0.388 0.000 2.928 8 T HA 0.535 4.885 4.350 -0.000 0.000 0.296 8 T C -0.828 173.963 174.700 0.151 0.000 1.000 8 T CA -0.901 61.281 62.100 0.137 0.000 0.989 8 T CB 1.238 70.084 68.868 -0.036 0.000 1.005 8 T HN 0.316 nan 8.240 nan 0.000 0.442 9 W N 1.613 122.784 121.300 -0.214 0.000 3.363 9 W HA 0.820 5.480 4.660 -0.000 0.000 0.306 9 W C -1.333 175.019 176.519 -0.279 0.000 1.253 9 W CA -1.429 55.700 57.345 -0.360 0.000 1.195 9 W CB 0.616 29.804 29.460 -0.454 0.000 1.366 9 W HN 0.778 nan 8.180 nan 0.000 0.551 10 A N 1.877 124.534 122.820 -0.273 0.000 2.295 10 A HA 0.748 5.068 4.320 -0.000 0.000 0.318 10 A C -0.714 176.726 177.584 -0.240 0.000 1.134 10 A CA -0.706 51.052 52.037 -0.465 0.000 0.827 10 A CB 0.941 19.518 19.000 -0.706 0.000 1.136 10 A HN 0.699 nan 8.150 nan 0.000 0.493 11 E N 0.397 120.449 120.200 -0.247 0.000 2.187 11 E HA 0.507 4.857 4.350 -0.000 0.000 0.268 11 E C -1.495 175.023 176.600 -0.136 0.000 0.896 11 E CA -0.644 55.751 56.400 -0.007 0.000 0.766 11 E CB 2.249 32.097 29.700 0.248 0.000 1.142 11 E HN 0.337 nan 8.360 nan 0.000 0.408 12 V N 2.756 122.642 119.914 -0.047 0.000 2.384 12 V HA 0.126 4.246 4.120 -0.000 0.000 0.287 12 V C -0.507 175.770 176.094 0.305 0.000 1.020 12 V CA -0.764 61.608 62.300 0.119 0.000 0.850 12 V CB 1.627 33.504 31.823 0.091 0.000 0.987 12 V HN 0.637 nan 8.190 nan 0.000 0.436 13 D N 4.336 124.901 120.400 0.276 0.000 2.441 13 D HA 0.272 4.912 4.640 -0.000 0.000 0.221 13 D C 0.938 177.383 176.300 0.243 0.000 1.156 13 D CA -0.070 54.077 54.000 0.245 0.000 0.896 13 D CB 1.136 42.016 40.800 0.133 0.000 1.028 13 D HN 0.453 nan 8.370 nan 0.000 0.509 14 L N 2.393 123.769 121.223 0.256 0.000 2.291 14 L HA -0.062 4.278 4.340 -0.000 0.000 0.214 14 L C 1.536 178.476 176.870 0.116 0.000 1.120 14 L CA 0.485 55.436 54.840 0.184 0.000 0.799 14 L CB -0.011 42.142 42.059 0.157 0.000 0.925 14 L HN 0.294 nan 8.230 nan 0.000 0.446 15 D N 0.698 121.146 120.400 0.081 0.000 2.144 15 D HA -0.143 4.497 4.640 -0.000 0.000 0.200 15 D C 2.264 178.629 176.300 0.107 0.000 0.978 15 D CA 1.464 55.491 54.000 0.045 0.000 0.833 15 D CB 0.118 40.925 40.800 0.012 0.000 0.961 15 D HN 0.324 nan 8.370 nan 0.000 0.470 16 A N 0.815 123.699 122.820 0.106 0.000 1.898 16 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 16 A C 2.353 179.990 177.584 0.089 0.000 1.181 16 A CA 0.798 52.896 52.037 0.102 0.000 0.620 16 A CB -0.672 18.392 19.000 0.107 0.000 0.819 16 A HN 0.157 nan 8.150 nan 0.000 0.442 17 I N -2.067 118.551 120.570 0.080 0.000 2.286 17 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 17 I C 2.404 178.546 176.117 0.041 0.000 1.115 17 I CA 1.554 62.858 61.300 0.007 0.000 1.392 17 I CB -0.336 37.657 38.000 -0.012 0.000 1.065 17 I HN 0.534 nan 8.210 nan 0.000 0.418 18 Y N 1.966 122.252 120.300 -0.024 0.000 2.114 18 Y HA -0.334 4.216 4.550 -0.000 0.000 0.284 18 Y C 2.199 178.083 175.900 -0.028 0.000 1.143 18 Y CA 1.956 60.038 58.100 -0.030 0.000 1.135 18 Y CB -0.305 38.130 38.460 -0.043 0.000 0.980 18 Y HN 0.192 nan 8.280 nan 0.000 0.499 19 D N -0.136 120.385 120.400 0.201 0.000 2.149 19 D HA -0.191 4.449 4.640 -0.000 0.000 0.198 19 D C 1.691 177.971 176.300 -0.033 0.000 0.990 19 D CA 1.361 55.406 54.000 0.075 0.000 0.839 19 D CB -0.403 40.455 40.800 0.096 0.000 0.948 19 D HN 0.440 nan 8.370 nan 0.000 0.460 20 N N 0.030 118.756 118.700 0.044 0.000 2.270 20 N HA -0.076 4.664 4.740 -0.000 0.000 0.181 20 N C 1.930 177.524 175.510 0.140 0.000 1.016 20 N CA 0.374 53.525 53.050 0.169 0.000 0.870 20 N CB -0.028 38.568 38.487 0.181 0.000 0.979 20 N HN 0.134 nan 8.380 nan 0.000 0.431 21 V N 1.208 121.121 119.914 -0.003 0.000 2.407 21 V HA -0.080 4.040 4.120 -0.000 0.000 0.245 21 V C 2.297 178.231 176.094 -0.267 0.000 1.041 21 V CA 1.168 63.413 62.300 -0.093 0.000 1.040 21 V CB -0.387 31.353 31.823 -0.139 0.000 0.671 21 V HN 0.277 nan 8.190 nan 0.000 0.455 22 E N 0.573 120.550 120.200 -0.372 0.000 2.150 22 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 22 E C 1.964 178.375 176.600 -0.314 0.000 0.985 22 E CA 1.345 57.526 56.400 -0.365 0.000 0.814 22 E CB -0.105 29.348 29.700 -0.410 0.000 0.752 22 E HN 0.729 nan 8.360 nan 0.000 0.466 23 N N 0.224 118.674 118.700 -0.416 0.000 2.188 23 N HA -0.150 4.590 4.740 -0.000 0.000 0.184 23 N C 1.947 177.130 175.510 -0.546 0.000 1.018 23 N CA 0.530 53.203 53.050 -0.627 0.000 0.858 23 N CB -0.004 37.723 38.487 -1.267 0.000 0.989 23 N HN 0.086 nan 8.380 nan 0.000 0.426 24 L N 1.388 122.377 121.223 -0.391 0.000 2.093 24 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 24 L C 2.208 178.944 176.870 -0.223 0.000 1.085 24 L CA 1.380 56.084 54.840 -0.227 0.000 0.755 24 L CB -0.255 41.530 42.059 -0.457 0.000 0.904 24 L HN -0.071 nan 8.230 nan 0.000 0.435 25 R N -0.101 120.257 120.500 -0.237 0.000 2.159 25 R HA -0.148 4.192 4.340 -0.000 0.000 0.237 25 R C 2.301 178.514 176.300 -0.145 0.000 1.131 25 R CA 1.611 57.602 56.100 -0.182 0.000 0.982 25 R CB -0.295 29.892 30.300 -0.188 0.000 0.868 25 R HN 0.376 nan 8.270 nan 0.000 0.453 26 R N -0.808 119.597 120.500 -0.159 0.000 2.062 26 R HA 0.060 4.400 4.340 -0.000 0.000 0.226 26 R C 1.975 178.221 176.300 -0.090 0.000 1.125 26 R CA 1.008 57.036 56.100 -0.120 0.000 0.966 26 R CB -0.390 29.827 30.300 -0.138 0.000 0.861 26 R HN 0.191 nan 8.270 nan 0.000 0.433 27 L N 1.385 122.555 121.223 -0.088 0.000 2.376 27 L HA 0.095 4.435 4.340 -0.000 0.000 0.219 27 L C 0.142 176.990 176.870 -0.038 0.000 1.133 27 L CA 1.082 55.899 54.840 -0.039 0.000 0.816 27 L CB -0.138 41.929 42.059 0.013 0.000 0.933 27 L HN 0.105 nan 8.230 nan 0.000 0.449 28 L N 1.715 122.903 121.223 -0.060 0.000 2.343 28 L HA 0.356 4.696 4.340 -0.000 0.000 0.275 28 L C -1.786 175.060 176.870 -0.040 0.000 1.056 28 L CA -1.934 52.879 54.840 -0.046 0.000 0.804 28 L CB 0.826 42.848 42.059 -0.062 0.000 1.203 28 L HN 0.009 nan 8.230 nan 0.000 0.440 29 P HA -0.055 nan 4.420 nan 0.000 0.263 29 P C -0.474 176.805 177.300 -0.035 0.000 1.175 29 P CA 0.051 63.139 63.100 -0.020 0.000 0.761 29 P CB 0.642 32.341 31.700 -0.000 0.000 0.794 30 D N 1.029 121.405 120.400 -0.040 0.000 2.271 30 D HA -0.193 4.447 4.640 -0.000 0.000 0.207 30 D C 1.456 177.706 176.300 -0.082 0.000 0.983 30 D CA 1.459 55.423 54.000 -0.060 0.000 0.878 30 D CB -0.170 40.602 40.800 -0.046 0.000 0.920 30 D HN 0.543 nan 8.370 nan 0.000 0.479 31 D N -0.108 120.262 120.400 -0.050 0.000 2.183 31 D HA -0.082 4.558 4.640 -0.000 0.000 0.203 31 D C 0.396 176.675 176.300 -0.036 0.000 0.969 31 D CA 0.632 54.613 54.000 -0.032 0.000 0.842 31 D CB -0.508 40.307 40.800 0.025 0.000 0.957 31 D HN 0.027 nan 8.370 nan 0.000 0.484 32 T N 1.138 115.682 114.554 -0.017 0.000 2.749 32 T HA 0.224 4.574 4.350 -0.000 0.000 0.295 32 T C -0.447 174.247 174.700 -0.010 0.000 0.936 32 T CA -0.421 61.718 62.100 0.065 0.000 1.060 32 T CB 0.757 69.660 68.868 0.058 0.000 0.904 32 T HN 0.110 nan 8.240 nan 0.000 0.500 33 H N 1.557 120.626 119.070 -0.002 0.000 2.505 33 H HA 0.503 5.059 4.556 -0.000 0.000 0.355 33 H C 0.166 175.473 175.328 -0.035 0.000 1.179 33 H CA -0.821 55.212 56.048 -0.026 0.000 1.343 33 H CB 0.505 30.248 29.762 -0.032 0.000 1.501 33 H HN 0.473 nan 8.280 nan 0.000 0.569 34 I N 2.164 122.778 120.570 0.074 0.000 2.378 34 I HA 0.193 4.363 4.170 -0.000 0.000 0.291 34 I C -0.257 175.881 176.117 0.034 0.000 0.992 34 I CA -0.455 60.857 61.300 0.021 0.000 1.154 34 I CB 1.180 39.149 38.000 -0.052 0.000 1.315 34 I HN 0.378 nan 8.210 nan 0.000 0.448 35 M N 6.762 126.382 119.600 0.032 0.000 2.055 35 M HA 0.558 5.038 4.480 -0.000 0.000 0.347 35 M C -0.347 175.987 176.300 0.056 0.000 1.123 35 M CA -0.424 54.877 55.300 0.001 0.000 1.035 35 M CB 0.873 33.430 32.600 -0.072 0.000 1.484 35 M HN 0.698 nan 8.290 nan 0.000 0.428 36 A N 4.930 127.775 122.820 0.042 0.000 2.409 36 A HA 0.527 4.846 4.320 -0.000 0.000 0.262 36 A C -0.523 177.082 177.584 0.035 0.000 1.113 36 A CA -0.530 51.534 52.037 0.044 0.000 0.790 36 A CB 0.264 19.264 19.000 -0.001 0.000 1.046 36 A HN 0.687 nan 8.150 nan 0.000 0.496 37 V N 3.540 123.481 119.914 0.046 0.000 2.364 37 V HA 0.255 4.375 4.120 -0.000 0.000 0.272 37 V C 0.447 176.645 176.094 0.174 0.000 1.036 37 V CA -0.125 62.246 62.300 0.119 0.000 0.880 37 V CB 1.228 33.168 31.823 0.194 0.000 0.991 37 V HN 0.662 nan 8.190 nan 0.000 0.460 38 V N 5.539 125.564 119.914 0.185 0.000 2.988 38 V HA 0.143 4.263 4.120 -0.000 0.000 0.356 38 V C 0.936 177.154 176.094 0.208 0.000 1.380 38 V CA -0.392 62.037 62.300 0.216 0.000 1.184 38 V CB 0.066 31.957 31.823 0.113 0.000 1.204 38 V HN 0.960 nan 8.190 nan 0.000 0.530 39 K N 1.039 121.584 120.400 0.241 0.000 2.276 39 K HA 0.548 4.868 4.320 -0.000 0.000 0.259 39 K C 0.659 177.336 176.600 0.128 0.000 1.001 39 K CA 0.384 56.752 56.287 0.135 0.000 0.927 39 K CB 0.471 33.035 32.500 0.106 0.000 0.969 39 K HN 0.512 nan 8.250 nan 0.000 0.490 40 A N 1.769 124.620 122.820 0.050 0.000 2.667 40 A HA -0.233 4.087 4.320 -0.000 0.000 0.298 40 A C 0.394 178.030 177.584 0.087 0.000 1.483 40 A CA 0.914 52.978 52.037 0.045 0.000 0.738 40 A CB -2.416 16.551 19.000 -0.056 0.000 1.067 40 A HN 1.076 nan 8.150 nan 0.000 0.451 41 N N -2.059 116.701 118.700 0.099 0.000 2.727 41 N HA 0.039 4.779 4.740 -0.000 0.000 0.249 41 N C 0.462 176.094 175.510 0.203 0.000 1.048 41 N CA 2.358 55.490 53.050 0.137 0.000 0.714 41 N CB -1.628 36.943 38.487 0.140 0.000 0.959 41 N HN 2.399 nan 8.380 nan 0.000 0.544 42 A N 0.183 123.142 122.820 0.231 0.000 2.560 42 A HA -0.194 4.126 4.320 -0.000 0.000 0.299 42 A C 0.601 178.311 177.584 0.209 0.000 1.484 42 A CA 1.358 53.586 52.037 0.318 0.000 0.749 42 A CB -2.322 16.889 19.000 0.352 0.000 1.072 42 A HN 1.353 nan 8.150 nan 0.000 0.426 43 Y N -2.987 117.212 120.300 -0.168 0.000 3.689 43 Y HA -0.122 4.428 4.550 -0.000 0.000 0.221 43 Y C 1.915 177.732 175.900 -0.138 0.000 1.247 43 Y CA 1.778 59.710 58.100 -0.280 0.000 1.671 43 Y CB -1.796 36.179 38.460 -0.809 0.000 1.521 43 Y HN 2.420 nan 8.280 nan 0.000 0.632 44 G N -1.576 107.281 108.800 0.094 0.000 2.162 44 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.260 44 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.260 44 G C 0.546 175.555 174.900 0.183 0.000 0.976 44 G CA 0.772 45.907 45.100 0.058 0.000 0.655 44 G HN 0.655 nan 8.290 nan 0.000 0.533 45 H N -0.244 118.964 119.070 0.231 0.000 2.654 45 H HA 0.471 5.027 4.556 -0.000 0.000 0.264 45 H C 1.490 177.086 175.328 0.446 0.000 0.954 45 H CA 1.314 57.603 56.048 0.401 0.000 1.199 45 H CB 1.024 31.037 29.762 0.418 0.000 1.446 45 H HN 1.410 nan 8.280 nan 0.000 0.516 46 G N 1.459 110.544 108.800 0.475 0.000 3.306 46 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.672 46 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.672 46 G C 0.144 175.209 174.900 0.276 0.000 1.212 46 G CA -0.056 45.304 45.100 0.434 0.000 1.150 46 G HN 0.286 nan 8.290 nan 0.000 0.509 47 D N 1.340 121.852 120.400 0.188 0.000 2.092 47 D HA -0.190 4.450 4.640 -0.000 0.000 0.193 47 D C 2.541 178.882 176.300 0.069 0.000 0.994 47 D CA 2.387 56.463 54.000 0.127 0.000 0.828 47 D CB -0.752 40.098 40.800 0.084 0.000 0.963 47 D HN 0.964 nan 8.370 nan 0.000 0.450 48 V N -0.389 119.540 119.914 0.025 0.000 2.358 48 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 48 V C 2.534 178.588 176.094 -0.066 0.000 1.047 48 V CA 1.705 63.992 62.300 -0.023 0.000 1.035 48 V CB -1.370 30.424 31.823 -0.048 0.000 0.658 48 V HN 0.013 nan 8.190 nan 0.000 0.452 49 Q N 0.509 120.222 119.800 -0.145 0.000 2.124 49 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 49 Q C 2.245 178.201 176.000 -0.074 0.000 0.977 49 Q CA 1.902 57.544 55.803 -0.267 0.000 0.850 49 Q CB -0.615 27.652 28.738 -0.785 0.000 0.901 49 Q HN 0.576 nan 8.270 nan 0.000 0.429 50 V N 0.138 120.076 119.914 0.040 0.000 2.446 50 V HA -0.126 3.994 4.120 -0.000 0.000 0.244 50 V C 2.081 178.190 176.094 0.025 0.000 1.039 50 V CA 1.395 63.740 62.300 0.075 0.000 1.045 50 V CB -0.931 30.993 31.823 0.169 0.000 0.681 50 V HN 0.397 nan 8.190 nan 0.000 0.459 51 A N 0.052 122.887 122.820 0.026 0.000 1.883 51 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 51 A C 2.381 179.966 177.584 0.000 0.000 1.186 51 A CA 2.198 54.242 52.037 0.010 0.000 0.624 51 A CB -0.586 18.420 19.000 0.011 0.000 0.822 51 A HN 0.446 nan 8.150 nan 0.000 0.444 52 R N -1.089 119.408 120.500 -0.005 0.000 2.080 52 R HA -0.130 4.210 4.340 -0.000 0.000 0.236 52 R C 2.320 178.633 176.300 0.021 0.000 1.137 52 R CA 2.108 58.208 56.100 -0.001 0.000 0.943 52 R CB -0.639 29.650 30.300 -0.019 0.000 0.846 52 R HN 0.555 nan 8.270 nan 0.000 0.431 53 T N 0.316 114.886 114.554 0.026 0.000 2.759 53 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 53 T C 1.723 176.458 174.700 0.058 0.000 1.042 53 T CA 1.411 63.555 62.100 0.073 0.000 1.140 53 T CB -0.210 68.702 68.868 0.072 0.000 0.864 53 T HN 0.432 nan 8.240 nan 0.000 0.455 54 A N 0.916 123.735 122.820 -0.001 0.000 1.929 54 A HA 0.146 4.466 4.320 -0.000 0.000 0.216 54 A C 2.256 179.813 177.584 -0.045 0.000 1.176 54 A CA 0.857 52.866 52.037 -0.046 0.000 0.628 54 A CB -0.661 18.309 19.000 -0.051 0.000 0.816 54 A HN 0.464 nan 8.150 nan 0.000 0.444 55 L N -0.539 120.676 121.223 -0.013 0.000 2.141 55 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 55 L C 2.452 179.325 176.870 0.004 0.000 1.094 55 L CA 1.345 56.180 54.840 -0.008 0.000 0.763 55 L CB -0.519 41.541 42.059 0.003 0.000 0.908 55 L HN 0.444 nan 8.230 nan 0.000 0.437 56 E N 0.185 120.412 120.200 0.045 0.000 2.153 56 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 56 E C 2.152 178.809 176.600 0.094 0.000 0.988 56 E CA 1.060 57.530 56.400 0.117 0.000 0.811 56 E CB -0.082 29.755 29.700 0.228 0.000 0.746 56 E HN 0.508 nan 8.360 nan 0.000 0.466 57 A N -0.162 122.581 122.820 -0.128 0.000 2.169 57 A HA 0.215 4.535 4.320 -0.000 0.000 0.212 57 A C 1.707 179.095 177.584 -0.326 0.000 1.153 57 A CA 1.077 52.774 52.037 -0.566 0.000 0.756 57 A CB 0.246 18.739 19.000 -0.845 0.000 0.813 57 A HN 0.359 nan 8.150 nan 0.000 0.471 58 G N -2.623 106.076 108.800 -0.168 0.000 2.613 58 G HA2 0.272 4.232 3.960 -0.000 0.000 0.199 58 G HA3 0.272 4.232 3.960 -0.000 0.000 0.199 58 G C 0.344 175.188 174.900 -0.094 0.000 0.991 58 G CA -0.002 45.020 45.100 -0.129 0.000 0.756 58 G HN 1.243 nan 8.290 nan 0.000 0.515 59 A N 0.898 123.672 122.820 -0.077 0.000 2.425 59 A HA 0.668 4.988 4.320 -0.000 0.000 0.249 59 A C 1.466 179.042 177.584 -0.014 0.000 1.084 59 A CA 1.128 53.143 52.037 -0.037 0.000 0.781 59 A CB 0.569 19.555 19.000 -0.024 0.000 1.019 59 A HN 1.340 nan 8.150 nan 0.000 0.490 60 S N 1.714 117.424 115.700 0.017 0.000 2.505 60 S HA 0.264 4.734 4.470 -0.000 0.000 0.216 60 S C 0.781 175.395 174.600 0.023 0.000 1.018 60 S CA -0.159 58.064 58.200 0.039 0.000 0.911 60 S CB 0.224 63.494 63.200 0.116 0.000 0.818 60 S HN 0.716 nan 8.310 nan 0.000 0.497 61 R N -0.078 120.424 120.500 0.003 0.000 2.836 61 R HA 0.716 5.056 4.340 -0.000 0.000 0.269 61 R C -1.565 174.713 176.300 -0.036 0.000 1.010 61 R CA -0.720 55.359 56.100 -0.035 0.000 0.930 61 R CB 1.569 31.820 30.300 -0.082 0.000 1.218 61 R HN 0.147 nan 8.270 nan 0.000 0.473 62 L N 0.296 121.489 121.223 -0.050 0.000 2.309 62 L HA 0.869 5.209 4.340 -0.000 0.000 0.261 62 L C -0.713 176.121 176.870 -0.060 0.000 1.021 62 L CA -1.025 53.793 54.840 -0.037 0.000 0.823 62 L CB 2.186 44.231 42.059 -0.024 0.000 1.366 62 L HN 0.712 nan 8.230 nan 0.000 0.423 63 A N 1.098 123.900 122.820 -0.031 0.000 2.455 63 A HA 0.828 5.148 4.320 -0.000 0.000 0.300 63 A C -1.414 176.173 177.584 0.005 0.000 1.040 63 A CA -0.439 51.577 52.037 -0.035 0.000 0.697 63 A CB 2.021 21.000 19.000 -0.035 0.000 1.265 63 A HN 0.359 nan 8.150 nan 0.000 0.407 64 V N 0.627 120.530 119.914 -0.018 0.000 3.155 64 V HA 0.712 4.831 4.120 -0.000 0.000 0.313 64 V C 1.172 177.258 176.094 -0.014 0.000 1.162 64 V CA 0.317 62.597 62.300 -0.033 0.000 1.048 64 V CB 2.126 33.898 31.823 -0.085 0.000 1.092 64 V HN 1.383 nan 8.190 nan 0.000 0.447 65 A N 1.611 124.414 122.820 -0.028 0.000 1.956 65 A HA 0.473 4.793 4.320 -0.000 0.000 0.212 65 A C 0.298 178.013 177.584 0.218 0.000 1.188 65 A CA 1.030 53.131 52.037 0.107 0.000 0.675 65 A CB 0.032 19.169 19.000 0.228 0.000 0.845 65 A HN 0.951 nan 8.150 nan 0.000 0.455 66 F N -5.628 114.336 119.950 0.023 0.000 2.711 66 F HA 0.596 5.123 4.527 -0.000 0.000 0.313 66 F C 0.167 175.986 175.800 0.031 0.000 1.141 66 F CA -1.229 56.789 58.000 0.030 0.000 0.941 66 F CB 0.435 39.453 39.000 0.029 0.000 1.349 66 F HN -0.140 nan 8.300 nan 0.000 0.464 67 L N 1.439 122.772 121.223 0.182 0.000 2.127 67 L HA -0.095 4.245 4.340 -0.000 0.000 0.211 67 L C 1.252 178.112 176.870 -0.017 0.000 1.089 67 L CA 2.186 57.066 54.840 0.067 0.000 0.757 67 L CB -1.102 41.028 42.059 0.118 0.000 0.899 67 L HN 0.763 nan 8.230 nan 0.000 0.434 68 D N -1.081 119.324 120.400 0.007 0.000 2.269 68 D HA -0.145 4.495 4.640 -0.000 0.000 0.208 68 D C 1.968 178.137 176.300 -0.219 0.000 0.963 68 D CA 0.979 54.955 54.000 -0.040 0.000 0.864 68 D CB -0.018 40.870 40.800 0.147 0.000 0.936 68 D HN 0.492 nan 8.370 nan 0.000 0.505 69 E N 0.381 120.270 120.200 -0.518 0.000 2.107 69 E HA -0.051 4.299 4.350 -0.000 0.000 0.191 69 E C 2.075 178.555 176.600 -0.200 0.000 0.982 69 E CA 0.793 56.950 56.400 -0.406 0.000 0.809 69 E CB -0.008 29.356 29.700 -0.560 0.000 0.756 69 E HN 0.272 nan 8.360 nan 0.000 0.459 70 A N 1.149 123.869 122.820 -0.166 0.000 1.897 70 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 70 A C 2.158 179.704 177.584 -0.063 0.000 1.181 70 A CA 0.796 52.777 52.037 -0.092 0.000 0.620 70 A CB -0.525 18.430 19.000 -0.075 0.000 0.821 70 A HN 0.110 nan 8.150 nan 0.000 0.443 71 L N -0.673 120.516 121.223 -0.056 0.000 2.191 71 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 71 L C 2.940 179.793 176.870 -0.028 0.000 1.103 71 L CA 0.908 55.727 54.840 -0.035 0.000 0.769 71 L CB -0.443 41.603 42.059 -0.021 0.000 0.908 71 L HN 0.427 nan 8.230 nan 0.000 0.438 72 A N -0.118 122.678 122.820 -0.039 0.000 1.968 72 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 72 A C 2.252 179.824 177.584 -0.019 0.000 1.169 72 A CA 0.981 53.004 52.037 -0.024 0.000 0.638 72 A CB -0.426 18.556 19.000 -0.030 0.000 0.812 72 A HN 0.336 nan 8.150 nan 0.000 0.446 73 L N -1.010 120.196 121.223 -0.028 0.000 2.109 73 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 73 L C 2.767 179.628 176.870 -0.014 0.000 1.086 73 L CA 0.763 55.592 54.840 -0.018 0.000 0.760 73 L CB -0.400 41.646 42.059 -0.023 0.000 0.910 73 L HN 0.278 nan 8.230 nan 0.000 0.437 74 R N 0.100 120.589 120.500 -0.018 0.000 2.120 74 R HA -0.185 4.155 4.340 -0.000 0.000 0.234 74 R C 1.945 178.241 176.300 -0.006 0.000 1.123 74 R CA 1.092 57.185 56.100 -0.012 0.000 0.975 74 R CB -0.390 29.899 30.300 -0.018 0.000 0.866 74 R HN 0.470 nan 8.270 nan 0.000 0.446 75 E N 0.747 120.944 120.200 -0.005 0.000 2.274 75 E HA -0.105 4.244 4.350 -0.000 0.000 0.194 75 E C 0.768 177.371 176.600 0.004 0.000 0.996 75 E CA 0.772 57.173 56.400 0.001 0.000 0.840 75 E CB 0.233 29.935 29.700 0.003 0.000 0.772 75 E HN 0.156 nan 8.360 nan 0.000 0.491 76 K N -1.230 119.171 120.400 0.001 0.000 2.410 76 K HA 0.135 4.455 4.320 -0.000 0.000 0.200 76 K C 0.609 177.208 176.600 -0.002 0.000 1.023 76 K CA 0.427 56.714 56.287 0.001 0.000 1.149 76 K CB 1.066 33.566 32.500 -0.000 0.000 0.859 76 K HN 0.215 nan 8.250 nan 0.000 0.514 77 G N 0.954 109.754 108.800 -0.000 0.000 2.176 77 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.232 77 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.232 77 G C 0.038 174.938 174.900 -0.000 0.000 0.986 77 G CA -0.554 44.547 45.100 0.001 0.000 0.643 77 G HN 0.133 nan 8.290 nan 0.000 0.522 78 I N 1.309 121.877 120.570 -0.003 0.000 2.471 78 I HA 0.274 4.444 4.170 -0.000 0.000 0.286 78 I C 1.012 177.128 176.117 -0.001 0.000 1.079 78 I CA 0.456 61.754 61.300 -0.003 0.000 1.398 78 I CB 1.024 39.020 38.000 -0.007 0.000 1.403 78 I HN 0.260 nan 8.210 nan 0.000 0.530 79 E N 3.710 123.912 120.200 0.003 0.000 2.660 79 E HA 0.263 4.613 4.350 -0.000 0.000 0.216 79 E C 0.346 176.950 176.600 0.006 0.000 0.986 79 E CA -0.256 56.149 56.400 0.007 0.000 1.037 79 E CB 1.051 30.759 29.700 0.014 0.000 1.041 79 E HN 0.759 nan 8.360 nan 0.000 0.480 80 A N 2.205 125.025 122.820 -0.000 0.000 2.332 80 A HA 0.373 4.693 4.320 -0.000 0.000 0.258 80 A C -2.328 175.248 177.584 -0.013 0.000 1.087 80 A CA -1.191 50.844 52.037 -0.003 0.000 0.802 80 A CB -0.094 18.903 19.000 -0.004 0.000 1.042 80 A HN -0.105 nan 8.150 nan 0.000 0.489 81 P HA 0.208 nan 4.420 nan 0.000 0.264 81 P C -0.970 176.295 177.300 -0.058 0.000 1.183 81 P CA 0.758 63.833 63.100 -0.042 0.000 0.763 81 P CB 0.226 31.892 31.700 -0.058 0.000 0.807 82 I N 3.247 123.777 120.570 -0.065 0.000 2.478 82 I HA 0.255 4.425 4.170 -0.000 0.000 0.287 82 I C -0.574 175.481 176.117 -0.104 0.000 1.042 82 I CA -1.015 60.239 61.300 -0.077 0.000 1.067 82 I CB 1.751 39.717 38.000 -0.056 0.000 1.233 82 I HN 0.149 nan 8.210 nan 0.000 0.431 83 L N 8.227 129.360 121.223 -0.150 0.000 2.275 83 L HA 0.489 4.829 4.340 -0.000 0.000 0.288 83 L C -0.533 176.274 176.870 -0.105 0.000 1.046 83 L CA -0.221 54.505 54.840 -0.189 0.000 0.805 83 L CB 1.555 43.394 42.059 -0.367 0.000 1.193 83 L HN 0.312 nan 8.230 nan 0.000 0.426 84 V N 7.409 127.292 119.914 -0.052 0.000 2.405 84 V HA 0.081 4.201 4.120 -0.000 0.000 0.264 84 V C 1.347 177.463 176.094 0.036 0.000 1.048 84 V CA -0.074 62.228 62.300 0.002 0.000 0.966 84 V CB 0.893 32.739 31.823 0.039 0.000 1.015 84 V HN 0.840 nan 8.190 nan 0.000 0.477 85 L N 4.247 125.498 121.223 0.047 0.000 2.291 85 L HA 0.116 4.456 4.340 -0.000 0.000 0.214 85 L C 1.704 178.640 176.870 0.109 0.000 1.120 85 L CA 1.183 56.088 54.840 0.108 0.000 0.799 85 L CB -0.376 41.731 42.059 0.079 0.000 0.925 85 L HN 0.783 nan 8.230 nan 0.000 0.446 86 G N -0.767 108.088 108.800 0.092 0.000 2.641 86 G HA2 0.615 4.575 3.960 -0.000 0.000 0.239 86 G HA3 0.615 4.575 3.960 -0.000 0.000 0.239 86 G C -0.638 174.339 174.900 0.128 0.000 1.402 86 G CA 0.082 45.225 45.100 0.071 0.000 1.046 86 G HN 0.192 nan 8.290 nan 0.000 0.565 87 A N -0.988 121.922 122.820 0.150 0.000 2.282 87 A HA 0.770 5.090 4.320 -0.000 0.000 0.319 87 A C 0.284 177.987 177.584 0.198 0.000 1.121 87 A CA 0.242 52.416 52.037 0.229 0.000 0.836 87 A CB 0.939 20.119 19.000 0.300 0.000 1.146 87 A HN 1.632 nan 8.150 nan 0.000 0.494 88 S N 0.125 115.959 115.700 0.223 0.000 2.651 88 S HA 0.698 5.168 4.470 -0.000 0.000 0.279 88 S C -0.715 174.141 174.600 0.426 0.000 1.148 88 S CA -1.052 57.319 58.200 0.286 0.000 0.837 88 S CB 1.142 64.519 63.200 0.294 0.000 1.138 88 S HN 0.708 nan 8.310 nan 0.000 0.478 89 R N 0.686 121.368 120.500 0.303 0.000 2.390 89 R HA 0.335 4.675 4.340 -0.000 0.000 0.291 89 R C -2.012 174.343 176.300 0.093 0.000 1.070 89 R CA -1.913 54.310 56.100 0.205 0.000 1.014 89 R CB 0.073 30.431 30.300 0.097 0.000 1.007 89 R HN 0.419 nan 8.270 nan 0.000 0.466 90 P HA -0.205 nan 4.420 nan 0.000 0.217 90 P C 0.776 177.886 177.300 -0.318 0.000 1.148 90 P CA 1.352 64.027 63.100 -0.709 0.000 0.828 90 P CB 0.207 31.406 31.700 -0.835 0.000 0.783 91 A N -0.826 121.901 122.820 -0.155 0.000 2.172 91 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 91 A C 1.428 178.995 177.584 -0.028 0.000 1.154 91 A CA 1.452 53.448 52.037 -0.068 0.000 0.701 91 A CB -0.772 18.207 19.000 -0.035 0.000 0.789 91 A HN 0.085 nan 8.150 nan 0.000 0.465 92 D N -0.998 119.396 120.400 -0.010 0.000 2.398 92 D HA 0.317 4.957 4.640 -0.000 0.000 0.210 92 D C 1.750 178.048 176.300 -0.004 0.000 1.094 92 D CA 0.728 54.737 54.000 0.015 0.000 0.839 92 D CB 0.239 41.076 40.800 0.062 0.000 0.963 92 D HN 0.355 nan 8.370 nan 0.000 0.506 93 A N 0.978 123.778 122.820 -0.034 0.000 2.019 93 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 93 A C 2.242 179.632 177.584 -0.323 0.000 1.164 93 A CA 1.735 53.718 52.037 -0.089 0.000 0.644 93 A CB -0.270 18.673 19.000 -0.095 0.000 0.805 93 A HN 0.223 nan 8.150 nan 0.000 0.449 94 A N -0.882 121.765 122.820 -0.288 0.000 1.969 94 A HA 0.069 4.389 4.320 -0.000 0.000 0.218 94 A C 2.071 179.545 177.584 -0.185 0.000 1.169 94 A CA 1.440 53.316 52.037 -0.269 0.000 0.635 94 A CB -0.417 18.619 19.000 0.059 0.000 0.810 94 A HN 0.479 nan 8.150 nan 0.000 0.445 95 L N -0.686 120.461 121.223 -0.126 0.000 2.109 95 L HA 0.004 4.344 4.340 -0.000 0.000 0.207 95 L C 2.803 179.584 176.870 -0.148 0.000 1.086 95 L CA 1.563 56.334 54.840 -0.114 0.000 0.760 95 L CB -0.389 41.639 42.059 -0.051 0.000 0.910 95 L HN 0.346 nan 8.230 nan 0.000 0.437 96 A N -0.679 122.063 122.820 -0.131 0.000 1.902 96 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 96 A C 2.423 179.896 177.584 -0.184 0.000 1.181 96 A CA 1.663 53.629 52.037 -0.119 0.000 0.623 96 A CB -0.998 17.956 19.000 -0.077 0.000 0.818 96 A HN 0.482 nan 8.150 nan 0.000 0.443 97 A N -0.944 121.716 122.820 -0.266 0.000 1.877 97 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 97 A C 2.207 179.469 177.584 -0.537 0.000 1.186 97 A CA 1.739 53.599 52.037 -0.295 0.000 0.620 97 A CB -0.613 18.213 19.000 -0.290 0.000 0.822 97 A HN 0.620 nan 8.150 nan 0.000 0.443 98 Q N -1.242 118.082 119.800 -0.794 0.000 2.226 98 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 98 Q C 1.302 176.988 176.000 -0.524 0.000 0.975 98 Q CA 1.224 56.312 55.803 -1.193 0.000 0.866 98 Q CB -0.002 28.298 28.738 -0.730 0.000 0.915 98 Q HN 0.599 nan 8.270 nan 0.000 0.440 99 Q N -0.056 119.569 119.800 -0.291 0.000 2.319 99 Q HA 0.109 4.449 4.340 -0.000 0.000 0.202 99 Q C -0.392 175.558 176.000 -0.084 0.000 0.896 99 Q CA 0.036 55.757 55.803 -0.136 0.000 0.942 99 Q CB 0.604 29.280 28.738 -0.103 0.000 1.083 99 Q HN 0.345 nan 8.270 nan 0.000 0.510 100 R N 0.322 120.768 120.500 -0.090 0.000 3.336 100 R HA -0.170 4.170 4.340 -0.000 0.000 0.260 100 R C -0.592 175.702 176.300 -0.011 0.000 1.032 100 R CA 0.349 56.444 56.100 -0.007 0.000 0.693 100 R CB -2.433 27.895 30.300 0.045 0.000 1.134 100 R HN 0.192 nan 8.270 nan 0.000 0.433 101 I N 0.912 121.455 120.570 -0.046 0.000 2.321 101 I HA 0.369 4.539 4.170 -0.000 0.000 0.291 101 I C 0.971 177.059 176.117 -0.049 0.000 0.998 101 I CA -0.439 60.833 61.300 -0.046 0.000 1.227 101 I CB 1.606 39.574 38.000 -0.052 0.000 1.368 101 I HN 0.242 nan 8.210 nan 0.000 0.466 102 A N 7.811 130.607 122.820 -0.039 0.000 2.388 102 A HA 0.718 5.038 4.320 -0.000 0.000 0.257 102 A C -0.482 177.083 177.584 -0.033 0.000 1.095 102 A CA -0.247 51.772 52.037 -0.031 0.000 0.791 102 A CB 0.373 19.380 19.000 0.012 0.000 1.029 102 A HN 0.693 nan 8.150 nan 0.000 0.489 103 L N 1.293 122.509 121.223 -0.011 0.000 2.346 103 L HA 0.426 4.766 4.340 -0.000 0.000 0.274 103 L C 0.250 177.225 176.870 0.176 0.000 1.007 103 L CA -0.661 54.224 54.840 0.074 0.000 0.818 103 L CB 2.110 44.244 42.059 0.125 0.000 1.284 103 L HN 0.657 nan 8.230 nan 0.000 0.424 104 T N 1.806 116.443 114.554 0.137 0.000 2.884 104 T HA 0.345 4.695 4.350 -0.000 0.000 0.298 104 T C -0.407 174.287 174.700 -0.010 0.000 0.998 104 T CA -0.114 62.110 62.100 0.206 0.000 1.124 104 T CB 1.665 70.691 68.868 0.263 0.000 0.931 104 T HN 0.299 nan 8.240 nan 0.000 0.531 105 V N 4.961 124.862 119.914 -0.021 0.000 2.823 105 V HA 0.740 4.860 4.120 -0.000 0.000 0.312 105 V C -0.872 175.175 176.094 -0.078 0.000 1.072 105 V CA -0.731 61.348 62.300 -0.367 0.000 0.937 105 V CB 1.562 33.089 31.823 -0.494 0.000 1.013 105 V HN 0.942 nan 8.190 nan 0.000 0.430 106 F N 3.188 122.987 119.950 -0.252 0.000 3.064 106 F HA 0.596 5.123 4.527 -0.000 0.000 0.384 106 F C 0.211 175.953 175.800 -0.095 0.000 1.083 106 F CA -0.720 57.189 58.000 -0.153 0.000 1.037 106 F CB 0.188 39.093 39.000 -0.158 0.000 1.322 106 F HN 0.299 nan 8.300 nan 0.000 0.535 107 R N 0.778 121.039 120.500 -0.399 0.000 2.686 107 R HA 0.433 4.773 4.340 -0.000 0.000 0.283 107 R C 0.866 177.102 176.300 -0.107 0.000 0.978 107 R CA 0.025 56.013 56.100 -0.185 0.000 0.897 107 R CB 2.000 32.187 30.300 -0.188 0.000 1.192 107 R HN 0.155 nan 8.270 nan 0.000 0.457 108 S N 0.431 116.111 115.700 -0.033 0.000 2.406 108 S HA -0.160 4.310 4.470 -0.000 0.000 0.228 108 S C 1.207 175.822 174.600 0.026 0.000 1.020 108 S CA 1.534 59.732 58.200 -0.003 0.000 0.965 108 S CB -0.183 63.019 63.200 0.004 0.000 0.798 108 S HN 0.757 nan 8.310 nan 0.000 0.488 109 D N -0.110 120.305 120.400 0.025 0.000 2.310 109 D HA -0.116 4.524 4.640 -0.000 0.000 0.212 109 D C 1.399 177.727 176.300 0.046 0.000 0.965 109 D CA 0.368 54.386 54.000 0.029 0.000 0.879 109 D CB -0.919 39.893 40.800 0.021 0.000 0.921 109 D HN 0.646 nan 8.370 nan 0.000 0.510 110 W N 1.173 122.381 121.300 -0.154 0.000 2.354 110 W HA -0.028 4.631 4.660 -0.000 0.000 0.315 110 W C 1.980 178.411 176.519 -0.147 0.000 1.206 110 W CA 1.342 58.577 57.345 -0.183 0.000 1.290 110 W CB -0.287 28.982 29.460 -0.318 0.000 1.152 110 W HN -0.071 nan 8.180 nan 0.000 0.489 111 L N 0.236 121.586 121.223 0.213 0.000 2.046 111 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 111 L C 2.441 179.366 176.870 0.092 0.000 1.077 111 L CA 1.809 56.717 54.840 0.113 0.000 0.747 111 L CB -0.964 41.143 42.059 0.080 0.000 0.896 111 L HN 0.015 nan 8.230 nan 0.000 0.432 112 E N -0.280 119.957 120.200 0.061 0.000 2.130 112 E HA -0.297 4.053 4.350 -0.000 0.000 0.196 112 E C 2.109 178.714 176.600 0.009 0.000 0.998 112 E CA 1.518 57.947 56.400 0.048 0.000 0.806 112 E CB 0.022 29.737 29.700 0.026 0.000 0.738 112 E HN 0.449 nan 8.360 nan 0.000 0.459 113 E N -0.517 119.640 120.200 -0.072 0.000 2.112 113 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 113 E C 1.942 178.444 176.600 -0.163 0.000 0.979 113 E CA 0.582 56.904 56.400 -0.130 0.000 0.814 113 E CB 0.059 29.637 29.700 -0.203 0.000 0.762 113 E HN 0.212 nan 8.360 nan 0.000 0.460 114 A N 0.358 123.015 122.820 -0.272 0.000 1.969 114 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 114 A C 2.263 179.957 177.584 0.184 0.000 1.169 114 A CA 1.338 53.251 52.037 -0.206 0.000 0.635 114 A CB -0.269 18.421 19.000 -0.516 0.000 0.810 114 A HN 0.135 nan 8.150 nan 0.000 0.445 115 S N -0.173 115.675 115.700 0.248 0.000 2.383 115 S HA -0.014 4.456 4.470 -0.000 0.000 0.227 115 S C 2.246 176.946 174.600 0.166 0.000 1.026 115 S CA 1.066 59.403 58.200 0.229 0.000 0.981 115 S CB -0.336 62.998 63.200 0.223 0.000 0.818 115 S HN 0.777 nan 8.310 nan 0.000 0.472 116 A N 0.717 123.592 122.820 0.093 0.000 1.969 116 A HA 0.102 4.422 4.320 -0.000 0.000 0.218 116 A C 2.037 179.657 177.584 0.060 0.000 1.169 116 A CA 0.968 53.038 52.037 0.054 0.000 0.635 116 A CB -0.415 18.598 19.000 0.021 0.000 0.810 116 A HN 0.451 nan 8.150 nan 0.000 0.445 117 L N -2.663 118.607 121.223 0.079 0.000 2.307 117 L HA 0.137 4.477 4.340 -0.000 0.000 0.211 117 L C 0.405 177.383 176.870 0.179 0.000 1.099 117 L CA 0.407 55.301 54.840 0.090 0.000 0.816 117 L CB 0.175 42.262 42.059 0.047 0.000 0.952 117 L HN 0.485 nan 8.230 nan 0.000 0.455 118 Y N -1.061 119.289 120.300 0.083 0.000 2.350 118 Y HA 0.228 4.778 4.550 -0.000 0.000 0.338 118 Y C 0.883 176.883 175.900 0.165 0.000 0.961 118 Y CA -1.126 57.046 58.100 0.120 0.000 1.100 118 Y CB 1.522 40.093 38.460 0.185 0.000 1.179 118 Y HN -0.024 nan 8.280 nan 0.000 0.454 119 S N 2.089 117.581 115.700 -0.347 0.000 2.524 119 S HA 0.704 5.174 4.470 -0.000 0.000 0.222 119 S C 0.724 175.028 174.600 -0.494 0.000 1.040 119 S CA 0.192 58.223 58.200 -0.283 0.000 0.915 119 S CB 0.657 63.757 63.200 -0.167 0.000 0.831 119 S HN 1.251 nan 8.310 nan 0.000 0.492 120 G N 2.013 110.145 108.800 -1.113 0.000 2.339 120 G HA2 0.257 4.217 3.960 -0.000 0.000 0.275 120 G HA3 0.257 4.217 3.960 -0.000 0.000 0.275 120 G C -2.723 171.811 174.900 -0.611 0.000 1.323 120 G CA -0.112 44.221 45.100 -1.277 0.000 0.927 120 G HN 0.024 nan 8.290 nan 0.000 0.486 121 P HA 0.309 nan 4.420 nan 0.000 0.259 121 P C 0.096 177.259 177.300 -0.229 0.000 1.233 121 P CA 0.058 62.909 63.100 -0.417 0.000 0.827 121 P CB 0.224 31.765 31.700 -0.265 0.000 1.154 122 F N 3.733 123.694 119.950 0.019 0.000 2.471 122 F HA 0.279 4.806 4.527 -0.000 0.000 0.353 122 F C -1.393 174.548 175.800 0.234 0.000 1.113 122 F CA -2.413 55.672 58.000 0.141 0.000 1.262 122 F CB -0.446 38.643 39.000 0.148 0.000 1.146 122 F HN -0.089 nan 8.300 nan 0.000 0.578 123 P HA 0.234 nan 4.420 nan 0.000 0.274 123 P C -0.722 176.583 177.300 0.008 0.000 1.231 123 P CA 0.024 63.246 63.100 0.204 0.000 0.790 123 P CB 1.124 32.821 31.700 -0.006 0.000 0.951 124 I N 2.170 122.695 120.570 -0.076 0.000 2.410 124 I HA 0.294 4.464 4.170 -0.000 0.000 0.286 124 I C 0.133 175.877 176.117 -0.622 0.000 1.009 124 I CA -0.816 60.261 61.300 -0.372 0.000 1.111 124 I CB 0.975 38.662 38.000 -0.520 0.000 1.262 124 I HN 0.337 nan 8.210 nan 0.000 0.443 125 H N 5.735 124.566 119.070 -0.398 0.000 2.604 125 H HA 0.437 4.993 4.556 -0.000 0.000 0.306 125 H C -1.049 174.027 175.328 -0.420 0.000 1.075 125 H CA -0.116 55.762 56.048 -0.284 0.000 1.357 125 H CB 0.753 30.474 29.762 -0.068 0.000 1.426 125 H HN 0.327 nan 8.280 nan 0.000 0.470 126 F N 1.830 121.875 119.950 0.157 0.000 2.450 126 F HA 0.267 4.794 4.527 -0.000 0.000 0.332 126 F C 0.534 176.405 175.800 0.118 0.000 1.093 126 F CA -0.567 57.491 58.000 0.097 0.000 1.003 126 F CB 1.133 40.121 39.000 -0.020 0.000 1.151 126 F HN 0.533 nan 8.300 nan 0.000 0.474 127 H N 3.751 122.996 119.070 0.292 0.000 2.551 127 H HA 0.255 4.811 4.556 -0.000 0.000 0.321 127 H C -0.890 174.610 175.328 0.287 0.000 1.028 127 H CA -0.968 55.254 56.048 0.290 0.000 1.215 127 H CB 2.180 32.112 29.762 0.282 0.000 1.414 127 H HN 0.404 nan 8.280 nan 0.000 0.480 128 L N 4.654 126.030 121.223 0.255 0.000 2.385 128 L HA 0.095 4.435 4.340 -0.000 0.000 0.281 128 L C 0.289 177.201 176.870 0.070 0.000 1.106 128 L CA -0.152 54.770 54.840 0.136 0.000 0.856 128 L CB 0.025 42.136 42.059 0.086 0.000 1.186 128 L HN 0.408 nan 8.230 nan 0.000 0.453 129 K N 5.496 125.843 120.400 -0.090 0.000 2.218 129 K HA 0.482 4.802 4.320 -0.000 0.000 0.276 129 K C -0.858 175.607 176.600 -0.225 0.000 1.022 129 K CA 0.184 56.184 56.287 -0.479 0.000 0.946 129 K CB 0.641 32.770 32.500 -0.618 0.000 1.000 129 K HN 0.722 nan 8.250 nan 0.000 0.468 130 M N 3.162 122.605 119.600 -0.262 0.000 2.253 130 M HA 0.176 4.656 4.480 -0.000 0.000 0.314 130 M C -1.072 175.116 176.300 -0.186 0.000 1.019 130 M CA -0.919 54.307 55.300 -0.124 0.000 0.932 130 M CB 1.883 34.469 32.600 -0.024 0.000 1.606 130 M HN 0.620 nan 8.290 nan 0.000 0.430 131 D N 2.159 122.492 120.400 -0.111 0.000 2.339 131 D HA 0.148 4.788 4.640 -0.000 0.000 0.241 131 D C 0.892 177.145 176.300 -0.078 0.000 1.183 131 D CA 0.108 54.048 54.000 -0.101 0.000 0.859 131 D CB 1.221 41.993 40.800 -0.047 0.000 1.067 131 D HN 0.727 nan 8.370 nan 0.000 0.484 132 T N 0.458 114.937 114.554 -0.125 0.000 3.010 132 T HA 0.236 4.586 4.350 -0.000 0.000 0.252 132 T C 1.317 175.977 174.700 -0.066 0.000 1.047 132 T CA 0.444 62.452 62.100 -0.153 0.000 1.140 132 T CB 0.500 69.222 68.868 -0.242 0.000 0.885 132 T HN 0.411 nan 8.240 nan 0.000 0.464 133 G N -0.392 108.427 108.800 0.031 0.000 4.657 133 G HA2 0.214 4.174 3.960 -0.000 0.000 0.213 133 G HA3 0.214 4.174 3.960 -0.000 0.000 0.213 133 G C 0.754 175.830 174.900 0.294 0.000 0.912 133 G CA -0.102 45.135 45.100 0.229 0.000 0.815 133 G HN 0.124 nan 8.290 nan 0.000 0.384 134 M N 0.670 120.361 119.600 0.152 0.000 2.435 134 M HA 0.201 4.681 4.480 -0.000 0.000 0.265 134 M C 2.000 178.350 176.300 0.083 0.000 1.104 134 M CA 1.595 56.977 55.300 0.137 0.000 1.140 134 M CB -0.352 32.302 32.600 0.089 0.000 1.372 134 M HN 0.805 nan 8.290 nan 0.000 0.456 135 G N 1.067 109.899 108.800 0.054 0.000 2.166 135 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.260 135 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.260 135 G C 0.968 175.855 174.900 -0.023 0.000 0.986 135 G CA 1.236 46.350 45.100 0.023 0.000 0.683 135 G HN 0.478 nan 8.290 nan 0.000 0.527 136 R N -0.956 119.511 120.500 -0.055 0.000 1.950 136 R HA 0.632 4.972 4.340 -0.000 0.000 0.197 136 R C 1.083 177.262 176.300 -0.201 0.000 1.471 136 R CA 0.399 56.434 56.100 -0.107 0.000 1.156 136 R CB 0.016 30.258 30.300 -0.097 0.000 0.905 136 R HN 0.344 nan 8.270 nan 0.000 0.489 137 L N -0.934 120.104 121.223 -0.308 0.000 2.271 137 L HA 0.618 4.958 4.340 -0.000 0.000 0.265 137 L C -0.336 176.299 176.870 -0.390 0.000 1.013 137 L CA -0.575 53.938 54.840 -0.545 0.000 0.820 137 L CB 2.044 43.558 42.059 -0.907 0.000 1.352 137 L HN 0.743 nan 8.230 nan 0.000 0.443 138 G N -0.167 108.429 108.800 -0.340 0.000 2.525 138 G HA2 0.036 3.996 3.960 -0.000 0.000 0.685 138 G HA3 0.036 3.996 3.960 -0.000 0.000 0.685 138 G C -1.741 173.185 174.900 0.044 0.000 1.285 138 G CA -0.799 44.234 45.100 -0.111 0.000 0.849 138 G HN 0.406 nan 8.290 nan 0.000 0.653 139 V N 1.334 121.291 119.914 0.072 0.000 2.686 139 V HA 0.647 4.767 4.120 -0.000 0.000 0.295 139 V C 1.035 177.203 176.094 0.123 0.000 1.057 139 V CA 0.472 62.838 62.300 0.110 0.000 1.012 139 V CB 1.556 33.448 31.823 0.115 0.000 1.006 139 V HN 0.862 nan 8.190 nan 0.000 0.477 140 K N 2.044 122.534 120.400 0.149 0.000 2.474 140 K HA 0.283 4.603 4.320 -0.000 0.000 0.202 140 K C -0.413 176.354 176.600 0.278 0.000 1.248 140 K CA -0.241 56.153 56.287 0.178 0.000 0.946 140 K CB 0.597 33.164 32.500 0.112 0.000 1.102 140 K HN 0.617 nan 8.250 nan 0.000 0.541 141 D N 0.736 121.235 120.400 0.165 0.000 2.299 141 D HA 0.048 4.688 4.640 -0.000 0.000 0.243 141 D C 0.434 176.495 176.300 -0.397 0.000 0.982 141 D CA -0.275 53.707 54.000 -0.031 0.000 0.924 141 D CB 1.996 42.765 40.800 -0.052 0.000 1.238 141 D HN -0.024 nan 8.370 nan 0.000 0.484 142 E N 0.594 120.158 120.200 -1.059 0.000 2.051 142 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 142 E C 1.032 177.272 176.600 -0.599 0.000 0.991 142 E CA 1.313 56.824 56.400 -1.481 0.000 0.799 142 E CB 0.230 29.077 29.700 -1.423 0.000 0.748 142 E HN 0.404 nan 8.360 nan 0.000 0.449 143 E N -0.374 119.604 120.200 -0.369 0.000 2.427 143 E HA -0.100 4.250 4.350 -0.000 0.000 0.196 143 E C 1.729 178.260 176.600 -0.116 0.000 1.028 143 E CA 0.211 56.488 56.400 -0.204 0.000 0.864 143 E CB 0.283 29.887 29.700 -0.159 0.000 0.813 143 E HN 0.158 nan 8.360 nan 0.000 0.514 144 E N -0.366 119.774 120.200 -0.101 0.000 2.112 144 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 144 E C 1.813 178.411 176.600 -0.003 0.000 0.979 144 E CA 0.915 57.295 56.400 -0.033 0.000 0.814 144 E CB 0.111 29.811 29.700 -0.001 0.000 0.762 144 E HN 0.192 nan 8.360 nan 0.000 0.460 145 T N 1.241 115.805 114.554 0.017 0.000 2.701 145 T HA -0.089 4.261 4.350 -0.000 0.000 0.263 145 T C 1.840 176.573 174.700 0.055 0.000 1.040 145 T CA 1.063 63.223 62.100 0.099 0.000 1.147 145 T CB -0.041 69.002 68.868 0.292 0.000 0.865 145 T HN 0.125 nan 8.240 nan 0.000 0.426 146 K N 0.689 121.094 120.400 0.009 0.000 2.113 146 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 146 K C 2.544 179.148 176.600 0.006 0.000 1.047 146 K CA 0.884 57.171 56.287 0.001 0.000 0.928 146 K CB -0.125 32.348 32.500 -0.045 0.000 0.716 146 K HN 0.016 nan 8.250 nan 0.000 0.446 147 R N 1.223 121.721 120.500 -0.004 0.000 2.115 147 R HA -0.005 4.335 4.340 -0.000 0.000 0.230 147 R C 2.054 178.366 176.300 0.021 0.000 1.111 147 R CA 0.986 57.089 56.100 0.005 0.000 0.976 147 R CB -0.309 29.988 30.300 -0.005 0.000 0.870 147 R HN 0.261 nan 8.270 nan 0.000 0.445 148 I N -0.246 120.334 120.570 0.017 0.000 2.193 148 I HA -0.228 3.942 4.170 -0.000 0.000 0.240 148 I C 2.287 178.425 176.117 0.034 0.000 1.084 148 I CA 0.743 62.048 61.300 0.008 0.000 1.365 148 I CB -0.245 37.750 38.000 -0.009 0.000 1.064 148 I HN -0.125 nan 8.210 nan 0.000 0.410 149 V N 1.215 121.156 119.914 0.046 0.000 2.287 149 V HA -0.347 3.773 4.120 -0.000 0.000 0.248 149 V C 2.696 178.835 176.094 0.075 0.000 1.053 149 V CA 2.199 64.537 62.300 0.064 0.000 1.027 149 V CB -1.028 30.830 31.823 0.058 0.000 0.646 149 V HN 0.514 nan 8.190 nan 0.000 0.447 150 A N -0.721 122.135 122.820 0.059 0.000 1.898 150 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 150 A C 2.192 179.828 177.584 0.086 0.000 1.181 150 A CA 1.683 53.756 52.037 0.060 0.000 0.620 150 A CB -0.523 18.500 19.000 0.039 0.000 0.819 150 A HN 0.499 nan 8.150 nan 0.000 0.442 151 L N -0.678 120.604 121.223 0.098 0.000 2.275 151 L HA -0.088 4.252 4.340 -0.000 0.000 0.215 151 L C 2.298 179.325 176.870 0.261 0.000 1.119 151 L CA 0.702 55.633 54.840 0.151 0.000 0.790 151 L CB -0.213 41.928 42.059 0.136 0.000 0.919 151 L HN 0.411 nan 8.230 nan 0.000 0.443 152 I N -1.009 119.704 120.570 0.237 0.000 2.400 152 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 152 I C 2.377 178.671 176.117 0.295 0.000 1.109 152 I CA 0.627 62.137 61.300 0.350 0.000 1.425 152 I CB 0.078 38.215 38.000 0.230 0.000 1.094 152 I HN 0.147 nan 8.210 nan 0.000 0.425 153 E N 0.919 121.228 120.200 0.183 0.000 2.085 153 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 153 E C 2.189 178.852 176.600 0.105 0.000 0.994 153 E CA 1.224 57.702 56.400 0.129 0.000 0.801 153 E CB -0.189 29.564 29.700 0.088 0.000 0.743 153 E HN 0.193 nan 8.360 nan 0.000 0.453 154 R N -0.390 120.171 120.500 0.102 0.000 2.189 154 R HA -0.096 4.244 4.340 -0.000 0.000 0.223 154 R C 0.413 176.734 176.300 0.035 0.000 1.092 154 R CA 0.586 56.720 56.100 0.056 0.000 0.989 154 R CB -0.029 30.304 30.300 0.055 0.000 0.876 154 R HN 0.177 nan 8.270 nan 0.000 0.457 155 H N 1.074 120.125 119.070 -0.032 0.000 2.489 155 H HA 0.167 4.723 4.556 -0.000 0.000 0.322 155 H C -1.774 173.472 175.328 -0.136 0.000 1.091 155 H CA -2.386 53.551 56.048 -0.185 0.000 1.291 155 H CB 2.098 31.534 29.762 -0.543 0.000 1.436 155 H HN -0.034 nan 8.280 nan 0.000 0.480 156 P HA -0.125 nan 4.420 nan 0.000 0.218 156 P C 0.287 177.438 177.300 -0.248 0.000 1.148 156 P CA 1.461 64.408 63.100 -0.255 0.000 0.822 156 P CB 0.393 31.824 31.700 -0.448 0.000 0.784 157 H N -3.053 116.196 119.070 0.297 0.000 2.586 157 H HA 0.220 4.776 4.556 -0.000 0.000 0.273 157 H C 0.158 175.788 175.328 0.503 0.000 0.997 157 H CA -0.360 55.897 56.048 0.348 0.000 1.177 157 H CB -0.114 29.877 29.762 0.381 0.000 1.471 157 H HN 0.011 nan 8.280 nan 0.000 0.538 158 F N 1.633 121.799 119.950 0.361 0.000 2.410 158 F HA 0.375 4.902 4.527 -0.000 0.000 0.349 158 F C 0.128 176.081 175.800 0.256 0.000 1.117 158 F CA -1.567 56.636 58.000 0.340 0.000 1.104 158 F CB 0.956 40.169 39.000 0.354 0.000 1.122 158 F HN -0.265 nan 8.300 nan 0.000 0.483 159 V N 5.150 125.295 119.914 0.386 0.000 2.588 159 V HA 0.326 4.446 4.120 -0.000 0.000 0.304 159 V C -0.666 175.605 176.094 0.296 0.000 1.042 159 V CA -0.888 61.573 62.300 0.269 0.000 0.877 159 V CB 2.293 34.225 31.823 0.181 0.000 0.996 159 V HN 0.454 nan 8.190 nan 0.000 0.425 160 L N 3.672 125.035 121.223 0.234 0.000 2.302 160 L HA 0.403 4.743 4.340 -0.000 0.000 0.285 160 L C 1.195 178.107 176.870 0.070 0.000 1.090 160 L CA 0.658 55.599 54.840 0.168 0.000 0.866 160 L CB 0.557 42.691 42.059 0.125 0.000 1.244 160 L HN 0.859 nan 8.230 nan 0.000 0.435 161 E N 2.727 122.921 120.200 -0.010 0.000 2.170 161 E HA 0.189 4.539 4.350 -0.000 0.000 0.191 161 E C 0.527 176.940 176.600 -0.310 0.000 0.981 161 E CA 0.634 56.951 56.400 -0.138 0.000 0.830 161 E CB 0.379 30.002 29.700 -0.129 0.000 0.775 161 E HN 0.773 nan 8.360 nan 0.000 0.470 162 G N 0.216 108.722 108.800 -0.489 0.000 2.645 162 G HA2 0.511 4.471 3.960 -0.000 0.000 0.292 162 G HA3 0.511 4.471 3.960 -0.000 0.000 0.292 162 G C -1.679 173.201 174.900 -0.033 0.000 1.415 162 G CA -0.500 44.426 45.100 -0.290 0.000 0.785 162 G HN 0.219 nan 8.290 nan 0.000 0.483 163 L N -1.326 119.989 121.223 0.153 0.000 2.622 163 L HA 0.955 5.295 4.340 -0.000 0.000 0.258 163 L C -1.545 175.463 176.870 0.229 0.000 0.996 163 L CA -1.157 53.813 54.840 0.217 0.000 0.858 163 L CB 2.376 44.497 42.059 0.104 0.000 1.449 163 L HN 1.326 nan 8.230 nan 0.000 0.411 164 Y N -1.059 119.161 120.300 -0.132 0.000 2.677 164 Y HA 0.854 5.404 4.550 -0.000 0.000 0.334 164 Y C -1.183 174.473 175.900 -0.406 0.000 1.196 164 Y CA -0.608 57.241 58.100 -0.418 0.000 1.059 164 Y CB 1.213 39.109 38.460 -0.939 0.000 1.315 164 Y HN 0.842 nan 8.280 nan 0.000 0.455 165 T N 0.040 114.194 114.554 -0.667 0.000 2.838 165 T HA 0.536 4.886 4.350 -0.000 0.000 0.292 165 T C -2.334 172.026 174.700 -0.567 0.000 1.113 165 T CA -0.512 61.141 62.100 -0.744 0.000 1.008 165 T CB 1.265 69.502 68.868 -1.052 0.000 1.259 165 T HN 0.949 nan 8.240 nan 0.000 0.520 166 H N 0.371 119.087 119.070 -0.590 0.000 2.759 166 H HA 0.585 5.141 4.556 -0.000 0.000 0.354 166 H C -1.525 173.629 175.328 -0.291 0.000 1.074 166 H CA -0.687 55.132 56.048 -0.382 0.000 1.226 166 H CB 0.486 30.160 29.762 -0.147 0.000 1.648 166 H HN 0.347 nan 8.280 nan 0.000 0.529 167 F N 3.501 123.220 119.950 -0.386 0.000 2.420 167 F HA 0.363 4.890 4.527 -0.000 0.000 0.352 167 F C 1.450 177.173 175.800 -0.128 0.000 1.108 167 F CA -0.011 57.895 58.000 -0.157 0.000 1.162 167 F CB 1.215 40.249 39.000 0.056 0.000 1.118 167 F HN 0.791 nan 8.300 nan 0.000 0.510 168 A N 2.059 125.036 122.820 0.261 0.000 1.930 168 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 168 A C 1.585 179.308 177.584 0.231 0.000 1.175 168 A CA 1.876 54.059 52.037 0.243 0.000 0.627 168 A CB -0.767 18.434 19.000 0.335 0.000 0.815 168 A HN 0.744 nan 8.150 nan 0.000 0.443 169 T N -4.663 110.079 114.554 0.313 0.000 3.380 169 T HA 0.600 4.950 4.350 -0.000 0.000 0.289 169 T C 0.968 175.803 174.700 0.225 0.000 1.012 169 T CA 0.518 62.768 62.100 0.249 0.000 0.944 169 T CB 0.428 69.467 68.868 0.285 0.000 1.172 169 T HN 0.425 nan 8.240 nan 0.000 0.502 170 A N 2.256 125.222 122.820 0.243 0.000 2.121 170 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 170 A C 2.021 179.612 177.584 0.011 0.000 1.154 170 A CA 1.310 53.423 52.037 0.126 0.000 0.679 170 A CB -0.391 18.768 19.000 0.265 0.000 0.795 170 A HN 0.699 nan 8.150 nan 0.000 0.458 171 D N 0.201 120.639 120.400 0.063 0.000 2.323 171 D HA -0.037 4.603 4.640 -0.000 0.000 0.209 171 D C 0.352 176.657 176.300 0.008 0.000 0.973 171 D CA 0.213 54.235 54.000 0.036 0.000 0.874 171 D CB -0.501 40.352 40.800 0.089 0.000 0.930 171 D HN 0.519 nan 8.370 nan 0.000 0.521 172 E N 0.783 120.997 120.200 0.024 0.000 2.257 172 E HA 0.111 4.461 4.350 -0.000 0.000 0.278 172 E C 1.220 177.819 176.600 -0.002 0.000 1.049 172 E CA -0.398 56.015 56.400 0.021 0.000 0.876 172 E CB 1.949 31.681 29.700 0.054 0.000 1.035 172 E HN -0.154 nan 8.360 nan 0.000 0.419 173 V N 3.631 123.539 119.914 -0.010 0.000 2.277 173 V HA -0.337 3.783 4.120 -0.000 0.000 0.253 173 V C 1.206 177.301 176.094 0.003 0.000 1.067 173 V CA 1.669 63.958 62.300 -0.018 0.000 1.047 173 V CB -0.663 31.152 31.823 -0.013 0.000 0.649 173 V HN 0.762 nan 8.190 nan 0.000 0.447 174 N N 1.286 120.000 118.700 0.023 0.000 2.406 174 N HA -0.022 4.718 4.740 -0.000 0.000 0.265 174 N C 0.947 176.505 175.510 0.079 0.000 1.203 174 N CA 0.511 53.589 53.050 0.047 0.000 0.945 174 N CB 0.701 39.215 38.487 0.046 0.000 1.165 174 N HN 0.577 nan 8.380 nan 0.000 0.485 175 T N -0.028 114.576 114.554 0.084 0.000 3.272 175 T HA 0.079 4.429 4.350 -0.000 0.000 0.250 175 T C 0.477 175.286 174.700 0.181 0.000 1.082 175 T CA 0.046 62.218 62.100 0.121 0.000 0.968 175 T CB 0.016 68.935 68.868 0.085 0.000 1.015 175 T HN 0.387 nan 8.240 nan 0.000 0.563 176 D N -0.118 120.384 120.400 0.171 0.000 2.249 176 D HA 0.056 4.696 4.640 -0.000 0.000 0.205 176 D C 1.147 177.601 176.300 0.257 0.000 0.962 176 D CA 0.536 54.642 54.000 0.176 0.000 0.860 176 D CB -0.121 40.758 40.800 0.131 0.000 0.955 176 D HN 0.429 nan 8.370 nan 0.000 0.505 177 Y N -0.460 119.927 120.300 0.145 0.000 2.365 177 Y HA 0.024 4.574 4.550 -0.000 0.000 0.293 177 Y C 1.661 177.694 175.900 0.222 0.000 1.119 177 Y CA 0.404 58.617 58.100 0.189 0.000 1.203 177 Y CB -0.230 38.321 38.460 0.152 0.000 1.026 177 Y HN -0.059 nan 8.280 nan 0.000 0.549 178 F N 0.711 120.701 119.950 0.067 0.000 2.069 178 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 178 F C 2.639 178.327 175.800 -0.188 0.000 1.113 178 F CA 2.181 60.087 58.000 -0.156 0.000 1.214 178 F CB -0.733 38.138 39.000 -0.214 0.000 0.978 178 F HN 0.079 nan 8.300 nan 0.000 0.474 179 S N -1.022 114.684 115.700 0.011 0.000 2.474 179 S HA -0.240 4.230 4.470 -0.000 0.000 0.235 179 S C 1.885 176.466 174.600 -0.032 0.000 0.997 179 S CA 0.847 59.014 58.200 -0.056 0.000 0.949 179 S CB -1.395 61.826 63.200 0.034 0.000 0.766 179 S HN 0.658 nan 8.310 nan 0.000 0.517 180 Y N 1.941 122.167 120.300 -0.124 0.000 2.263 180 Y HA 0.061 4.611 4.550 -0.000 0.000 0.292 180 Y C 2.412 178.191 175.900 -0.202 0.000 1.130 180 Y CA 1.451 59.460 58.100 -0.153 0.000 1.179 180 Y CB -0.490 37.857 38.460 -0.188 0.000 0.998 180 Y HN 0.247 nan 8.280 nan 0.000 0.532 181 Q N -1.279 118.215 119.800 -0.510 0.000 2.083 181 Q HA -0.203 4.137 4.340 -0.000 0.000 0.198 181 Q C 1.994 177.870 176.000 -0.206 0.000 0.969 181 Q CA 1.605 57.137 55.803 -0.451 0.000 0.838 181 Q CB -0.446 28.197 28.738 -0.158 0.000 0.900 181 Q HN 0.646 nan 8.270 nan 0.000 0.436 182 Y N 1.223 121.329 120.300 -0.325 0.000 2.181 182 Y HA -0.225 4.325 4.550 -0.000 0.000 0.288 182 Y C 2.274 178.130 175.900 -0.072 0.000 1.146 182 Y CA 1.764 59.761 58.100 -0.172 0.000 1.164 182 Y CB -0.236 37.936 38.460 -0.480 0.000 0.982 182 Y HN -0.014 nan 8.280 nan 0.000 0.515 183 T N 0.677 115.131 114.554 -0.167 0.000 2.737 183 T HA -0.126 4.224 4.350 -0.000 0.000 0.265 183 T C 2.030 176.579 174.700 -0.251 0.000 1.038 183 T CA 1.084 63.076 62.100 -0.179 0.000 1.144 183 T CB -0.177 68.639 68.868 -0.087 0.000 0.866 183 T HN 0.164 nan 8.240 nan 0.000 0.434 184 R N 0.204 120.474 120.500 -0.382 0.000 2.091 184 R HA -0.059 4.281 4.340 -0.000 0.000 0.238 184 R C 2.174 178.306 176.300 -0.280 0.000 1.136 184 R CA 1.196 57.048 56.100 -0.413 0.000 0.959 184 R CB -0.876 29.046 30.300 -0.630 0.000 0.856 184 R HN 0.393 nan 8.270 nan 0.000 0.437 185 F N 1.308 121.012 119.950 -0.410 0.000 2.075 185 F HA -0.131 4.396 4.527 -0.000 0.000 0.297 185 F C 2.187 177.742 175.800 -0.408 0.000 1.113 185 F CA 1.236 58.992 58.000 -0.406 0.000 1.218 185 F CB -0.711 38.068 39.000 -0.369 0.000 0.984 185 F HN -0.075 nan 8.300 nan 0.000 0.472 186 L N -0.494 120.476 121.223 -0.421 0.000 2.189 186 L HA -0.294 4.046 4.340 -0.000 0.000 0.214 186 L C 2.670 179.309 176.870 -0.385 0.000 1.097 186 L CA 1.666 56.231 54.840 -0.458 0.000 0.764 186 L CB -0.868 41.001 42.059 -0.318 0.000 0.900 186 L HN 0.345 nan 8.230 nan 0.000 0.436 187 H N -0.121 118.683 119.070 -0.442 0.000 2.384 187 H HA -0.024 4.532 4.556 -0.000 0.000 0.300 187 H C 2.227 177.124 175.328 -0.719 0.000 1.057 187 H CA 1.194 56.985 56.048 -0.429 0.000 1.370 187 H CB 0.187 29.760 29.762 -0.314 0.000 1.417 187 H HN 0.270 nan 8.280 nan 0.000 0.527 188 M N 0.327 119.498 119.600 -0.715 0.000 2.296 188 M HA -0.089 4.391 4.480 -0.000 0.000 0.265 188 M C 2.333 178.088 176.300 -0.909 0.000 1.064 188 M CA 0.746 55.277 55.300 -1.282 0.000 1.109 188 M CB -0.018 32.004 32.600 -0.964 0.000 1.396 188 M HN 0.152 nan 8.290 nan 0.000 0.430 189 L N -0.031 120.746 121.223 -0.743 0.000 2.353 189 L HA -0.170 4.170 4.340 -0.000 0.000 0.220 189 L C 2.010 178.655 176.870 -0.374 0.000 1.133 189 L CA 0.658 55.139 54.840 -0.598 0.000 0.798 189 L CB -0.505 41.105 42.059 -0.748 0.000 0.922 189 L HN 0.273 nan 8.230 nan 0.000 0.445 190 E N -1.068 118.900 120.200 -0.386 0.000 2.478 190 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 190 E C 1.471 178.086 176.600 0.026 0.000 1.045 190 E CA 0.361 56.642 56.400 -0.198 0.000 0.868 190 E CB 0.087 29.643 29.700 -0.240 0.000 0.885 190 E HN 0.540 nan 8.360 nan 0.000 0.505 191 W N 0.665 121.894 121.300 -0.119 0.000 3.139 191 W HA 0.189 4.849 4.660 -0.000 0.000 0.260 191 W C 0.549 177.030 176.519 -0.063 0.000 1.312 191 W CA -0.245 57.053 57.345 -0.077 0.000 1.606 191 W CB -0.320 29.108 29.460 -0.055 0.000 1.118 191 W HN -0.106 nan 8.180 nan 0.000 0.675 192 L N 2.996 124.288 121.223 0.116 0.000 2.289 192 L HA 0.197 4.537 4.340 -0.000 0.000 0.285 192 L C -0.357 176.526 176.870 0.022 0.000 1.049 192 L CA -1.724 53.145 54.840 0.049 0.000 0.804 192 L CB 0.912 42.963 42.059 -0.013 0.000 1.195 192 L HN -0.363 nan 8.230 nan 0.000 0.428 193 P HA -0.113 nan 4.420 nan 0.000 0.214 193 P C 0.193 177.493 177.300 0.001 0.000 1.163 193 P CA 1.036 64.144 63.100 0.014 0.000 0.889 193 P CB 0.145 31.857 31.700 0.020 0.000 0.790 194 S N -1.119 114.582 115.700 0.001 0.000 2.532 194 S HA 0.429 4.899 4.470 -0.000 0.000 0.299 194 S C -0.232 174.359 174.600 -0.015 0.000 1.105 194 S CA -1.020 57.178 58.200 -0.004 0.000 1.018 194 S CB 2.169 65.375 63.200 0.010 0.000 1.021 194 S HN -0.086 nan 8.310 nan 0.000 0.483 195 R N 2.352 122.834 120.500 -0.030 0.000 2.404 195 R HA 0.230 4.570 4.340 -0.000 0.000 0.315 195 R C -2.268 174.019 176.300 -0.022 0.000 1.032 195 R CA -1.126 54.944 56.100 -0.048 0.000 0.992 195 R CB -0.223 30.045 30.300 -0.054 0.000 0.959 195 R HN 0.503 nan 8.270 nan 0.000 0.428 196 P HA 0.079 nan 4.420 nan 0.000 0.273 196 P C -1.924 175.375 177.300 -0.002 0.000 1.250 196 P CA -1.046 62.050 63.100 -0.006 0.000 0.793 196 P CB 0.353 32.045 31.700 -0.014 0.000 1.011 197 P HA -0.034 nan 4.420 nan 0.000 0.222 197 P C -0.164 177.137 177.300 0.002 0.000 1.147 197 P CA 1.401 64.503 63.100 0.002 0.000 0.790 197 P CB 0.338 32.033 31.700 -0.007 0.000 0.780 198 L N -0.034 121.185 121.223 -0.007 0.000 2.372 198 L HA 0.387 4.727 4.340 -0.000 0.000 0.273 198 L C -0.707 176.263 176.870 0.167 0.000 0.989 198 L CA -0.832 54.027 54.840 0.033 0.000 0.841 198 L CB 2.667 44.708 42.059 -0.030 0.000 1.225 198 L HN -0.387 nan 8.230 nan 0.000 0.414 199 V N 2.462 122.497 119.914 0.202 0.000 2.409 199 V HA 0.481 4.601 4.120 -0.000 0.000 0.291 199 V C -0.673 175.645 176.094 0.373 0.000 1.020 199 V CA -0.572 61.862 62.300 0.224 0.000 0.848 199 V CB 1.513 33.338 31.823 0.003 0.000 0.990 199 V HN 0.863 nan 8.190 nan 0.000 0.430 200 H N 1.389 120.578 119.070 0.197 0.000 2.894 200 H HA 0.658 5.214 4.556 -0.000 0.000 0.367 200 H C 0.288 175.684 175.328 0.112 0.000 1.144 200 H CA -0.518 55.653 56.048 0.205 0.000 1.180 200 H CB 1.649 31.479 29.762 0.113 0.000 1.758 200 H HN 0.603 nan 8.280 nan 0.000 0.541 201 C N 0.642 120.040 119.300 0.164 0.000 3.913 201 C HA 0.772 5.232 4.460 -0.000 0.000 0.535 201 C C 1.026 175.987 174.990 -0.048 0.000 1.470 201 C CA 0.238 59.128 59.018 -0.213 0.000 2.358 201 C CB -0.485 27.120 27.740 -0.225 0.000 3.527 201 C HN 0.962 nan 8.230 nan 0.000 0.611 202 A N 3.683 126.693 122.820 0.316 0.000 2.320 202 A HA 0.610 4.930 4.320 -0.000 0.000 0.287 202 A C 0.258 178.066 177.584 0.374 0.000 1.181 202 A CA -0.104 52.200 52.037 0.445 0.000 0.831 202 A CB 0.230 19.495 19.000 0.441 0.000 1.102 202 A HN 0.766 nan 8.150 nan 0.000 0.513 203 N N 1.786 120.719 118.700 0.387 0.000 2.431 203 N HA 0.162 4.902 4.740 -0.000 0.000 0.289 203 N C 0.928 176.655 175.510 0.361 0.000 1.277 203 N CA -0.008 53.266 53.050 0.374 0.000 0.972 203 N CB -0.438 38.277 38.487 0.380 0.000 1.143 203 N HN 0.294 nan 8.380 nan 0.000 0.578 204 S N -0.854 115.046 115.700 0.333 0.000 2.387 204 S HA -0.167 4.303 4.470 -0.000 0.000 0.230 204 S C 1.845 176.599 174.600 0.257 0.000 1.035 204 S CA 1.481 59.891 58.200 0.350 0.000 1.014 204 S CB -0.835 62.429 63.200 0.106 0.000 0.836 204 S HN 0.733 nan 8.310 nan 0.000 0.466 205 A N 1.622 124.559 122.820 0.193 0.000 1.858 205 A HA 0.137 4.457 4.320 -0.000 0.000 0.216 205 A C 2.363 179.982 177.584 0.060 0.000 1.190 205 A CA 1.698 53.794 52.037 0.098 0.000 0.617 205 A CB -1.169 17.893 19.000 0.103 0.000 0.827 205 A HN 0.544 nan 8.150 nan 0.000 0.443 206 A N -0.059 122.882 122.820 0.201 0.000 2.066 206 A HA 0.037 4.357 4.320 -0.000 0.000 0.218 206 A C 2.346 180.094 177.584 0.272 0.000 1.157 206 A CA 1.947 54.164 52.037 0.299 0.000 0.670 206 A CB -0.659 18.703 19.000 0.604 0.000 0.804 206 A HN 0.890 nan 8.150 nan 0.000 0.453 207 S N -0.561 115.273 115.700 0.225 0.000 2.458 207 S HA 0.112 4.582 4.470 -0.000 0.000 0.223 207 S C 1.593 176.225 174.600 0.053 0.000 1.019 207 S CA 0.795 59.093 58.200 0.165 0.000 0.937 207 S CB -0.420 62.893 63.200 0.187 0.000 0.788 207 S HN 0.408 nan 8.310 nan 0.000 0.511 208 L N 0.125 121.359 121.223 0.018 0.000 2.446 208 L HA 0.286 4.626 4.340 -0.000 0.000 0.219 208 L C 2.954 179.705 176.870 -0.197 0.000 1.116 208 L CA 0.249 55.043 54.840 -0.077 0.000 0.844 208 L CB -0.151 41.859 42.059 -0.082 0.000 0.970 208 L HN 0.207 nan 8.230 nan 0.000 0.457 209 R N -0.133 120.175 120.500 -0.319 0.000 2.105 209 R HA 0.108 4.448 4.340 -0.000 0.000 0.214 209 R C 0.076 175.887 176.300 -0.815 0.000 1.091 209 R CA 0.834 56.501 56.100 -0.722 0.000 1.007 209 R CB 0.317 29.899 30.300 -1.198 0.000 0.912 209 R HN 0.179 nan 8.270 nan 0.000 0.450 210 F N 1.068 120.962 119.950 -0.094 0.000 2.577 210 F HA 0.322 4.849 4.527 -0.000 0.000 0.342 210 F C -1.687 174.095 175.800 -0.030 0.000 1.479 210 F CA -2.143 55.810 58.000 -0.077 0.000 1.110 210 F CB 1.224 40.168 39.000 -0.094 0.000 1.306 210 F HN -0.085 nan 8.300 nan 0.000 0.554 211 P HA -0.173 nan 4.420 nan 0.000 0.223 211 P C 0.472 177.801 177.300 0.049 0.000 1.144 211 P CA 1.543 64.680 63.100 0.061 0.000 0.783 211 P CB 0.130 31.839 31.700 0.016 0.000 0.771 212 D N -0.567 119.855 120.400 0.037 0.000 2.240 212 D HA -0.067 4.573 4.640 -0.000 0.000 0.206 212 D C 1.367 177.623 176.300 -0.072 0.000 0.963 212 D CA 0.309 54.305 54.000 -0.006 0.000 0.863 212 D CB -0.591 40.207 40.800 -0.004 0.000 0.973 212 D HN 0.036 nan 8.370 nan 0.000 0.501 213 R N 0.200 120.666 120.500 -0.056 0.000 4.141 213 R HA 0.264 4.604 4.340 -0.000 0.000 0.281 213 R C 0.128 176.410 176.300 -0.030 0.000 1.608 213 R CA 0.280 56.280 56.100 -0.166 0.000 1.426 213 R CB 0.125 30.261 30.300 -0.274 0.000 1.432 213 R HN 0.353 nan 8.270 nan 0.000 0.708 214 T N -3.788 110.731 114.554 -0.058 0.000 3.087 214 T HA 0.213 4.563 4.350 -0.000 0.000 0.283 214 T C 0.615 175.521 174.700 0.343 0.000 0.956 214 T CA -0.376 61.859 62.100 0.225 0.000 0.894 214 T CB -0.082 68.922 68.868 0.227 0.000 1.160 214 T HN 0.165 nan 8.240 nan 0.000 0.532 215 F N 3.106 123.204 119.950 0.246 0.000 2.192 215 F HA -0.329 4.198 4.527 -0.000 0.000 0.317 215 F C 1.362 177.264 175.800 0.170 0.000 1.454 215 F CA 1.906 60.028 58.000 0.203 0.000 0.932 215 F CB -1.202 37.942 39.000 0.239 0.000 4.108 215 F HN 0.484 nan 8.300 nan 0.000 0.138 216 N N 0.843 119.776 118.700 0.388 0.000 2.235 216 N HA 0.381 5.121 4.740 -0.000 0.000 0.231 216 N C -0.395 175.264 175.510 0.249 0.000 1.177 216 N CA 0.219 53.428 53.050 0.266 0.000 0.874 216 N CB 1.527 40.154 38.487 0.233 0.000 1.097 216 N HN 0.626 nan 8.380 nan 0.000 0.518 217 M N 1.268 121.008 119.600 0.235 0.000 2.294 217 M HA 0.271 4.751 4.480 -0.000 0.000 0.280 217 M C -2.278 174.138 176.300 0.193 0.000 1.085 217 M CA -0.500 54.891 55.300 0.151 0.000 0.969 217 M CB 2.571 35.151 32.600 -0.033 0.000 1.770 217 M HN -0.232 nan 8.290 nan 0.000 0.485 218 V N 5.089 125.091 119.914 0.147 0.000 2.427 218 V HA 0.564 4.684 4.120 -0.000 0.000 0.286 218 V C -0.255 175.939 176.094 0.167 0.000 1.034 218 V CA -0.546 61.857 62.300 0.171 0.000 0.893 218 V CB 1.843 33.725 31.823 0.099 0.000 0.982 218 V HN 0.800 nan 8.190 nan 0.000 0.452 219 R N 4.164 124.802 120.500 0.229 0.000 2.254 219 R HA 0.438 4.778 4.340 -0.000 0.000 0.318 219 R C -1.216 175.276 176.300 0.320 0.000 1.031 219 R CA -0.383 55.846 56.100 0.215 0.000 0.905 219 R CB 1.199 31.626 30.300 0.213 0.000 1.050 219 R HN 0.533 nan 8.270 nan 0.000 0.456 220 F N 2.163 122.146 119.950 0.055 0.000 2.445 220 F HA 0.478 5.005 4.527 -0.000 0.000 0.348 220 F C 0.183 175.974 175.800 -0.015 0.000 1.125 220 F CA -0.739 57.277 58.000 0.026 0.000 0.983 220 F CB 1.392 40.382 39.000 -0.017 0.000 1.198 220 F HN 0.601 nan 8.300 nan 0.000 0.436 221 G N 4.708 113.357 108.800 -0.251 0.000 2.583 221 G HA2 0.023 3.983 3.960 -0.000 0.000 0.214 221 G HA3 0.023 3.983 3.960 -0.000 0.000 0.214 221 G C 0.947 175.557 174.900 -0.483 0.000 2.072 221 G CA 0.311 45.253 45.100 -0.262 0.000 0.745 221 G HN 0.578 nan 8.290 nan 0.000 0.762 222 I N 1.907 122.342 120.570 -0.224 0.000 2.264 222 I HA -0.050 4.120 4.170 -0.000 0.000 0.248 222 I C 2.737 178.664 176.117 -0.316 0.000 1.111 222 I CA 1.867 63.032 61.300 -0.226 0.000 1.382 222 I CB -0.135 37.634 38.000 -0.385 0.000 1.060 222 I HN 0.219 nan 8.210 nan 0.000 0.418 223 A N -0.111 122.412 122.820 -0.495 0.000 2.119 223 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 223 A C 2.358 179.592 177.584 -0.582 0.000 1.153 223 A CA 1.471 53.239 52.037 -0.448 0.000 0.692 223 A CB -0.833 18.000 19.000 -0.278 0.000 0.799 223 A HN 0.635 nan 8.150 nan 0.000 0.458 224 M N -1.514 117.454 119.600 -1.053 0.000 2.175 224 M HA -0.135 4.345 4.480 -0.000 0.000 0.264 224 M C 1.205 177.086 176.300 -0.698 0.000 1.063 224 M CA 1.734 56.528 55.300 -0.842 0.000 1.119 224 M CB -0.219 31.711 32.600 -1.117 0.000 1.377 224 M HN 0.436 nan 8.290 nan 0.000 0.415 225 Y N 0.192 120.237 120.300 -0.423 0.000 2.546 225 Y HA 0.315 4.865 4.550 -0.000 0.000 0.287 225 Y C 1.611 177.412 175.900 -0.166 0.000 1.158 225 Y CA 0.545 58.416 58.100 -0.381 0.000 1.307 225 Y CB -0.309 37.825 38.460 -0.543 0.000 1.036 225 Y HN 0.506 nan 8.280 nan 0.000 0.532 226 G N 0.356 109.119 108.800 -0.062 0.000 2.132 226 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.228 226 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.228 226 G C -0.360 174.541 174.900 0.001 0.000 1.000 226 G CA -0.179 44.922 45.100 0.003 0.000 0.693 226 G HN 0.247 nan 8.290 nan 0.000 0.515 227 L N 0.396 121.593 121.223 -0.044 0.000 2.329 227 L HA 0.798 5.138 4.340 -0.000 0.000 0.279 227 L C 0.815 177.625 176.870 -0.100 0.000 1.014 227 L CA -0.762 54.041 54.840 -0.062 0.000 0.814 227 L CB 1.973 43.978 42.059 -0.090 0.000 1.257 227 L HN 0.277 nan 8.230 nan 0.000 0.424 228 A N 3.892 126.672 122.820 -0.067 0.000 2.401 228 A HA 0.427 4.747 4.320 -0.000 0.000 0.259 228 A C -1.653 175.904 177.584 -0.046 0.000 1.103 228 A CA -1.166 50.838 52.037 -0.056 0.000 0.789 228 A CB 0.178 19.159 19.000 -0.031 0.000 1.035 228 A HN 0.624 nan 8.150 nan 0.000 0.491 229 P HA -0.147 nan 4.420 nan 0.000 0.218 229 P C 0.468 177.871 177.300 0.173 0.000 1.154 229 P CA 2.199 65.369 63.100 0.117 0.000 0.872 229 P CB 0.058 31.829 31.700 0.119 0.000 0.790 230 S N -5.953 109.798 115.700 0.085 0.000 2.579 230 S HA 0.489 4.958 4.470 -0.000 0.000 0.272 230 S C -2.486 172.133 174.600 0.032 0.000 1.141 230 S CA -1.582 56.660 58.200 0.072 0.000 0.843 230 S CB 1.456 64.689 63.200 0.055 0.000 1.122 230 S HN -0.271 nan 8.310 nan 0.000 0.468 231 P HA -0.041 nan 4.420 nan 0.000 0.217 231 P C 1.669 178.968 177.300 -0.001 0.000 1.151 231 P CA 2.080 65.187 63.100 0.013 0.000 0.849 231 P CB -0.369 31.342 31.700 0.017 0.000 0.787 232 G N -0.815 107.984 108.800 -0.001 0.000 2.408 232 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 232 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 232 G C 1.508 176.389 174.900 -0.031 0.000 1.150 232 G CA 0.207 45.299 45.100 -0.013 0.000 0.776 232 G HN 0.277 nan 8.290 nan 0.000 0.542 233 I N -0.020 120.529 120.570 -0.035 0.000 2.928 233 I HA 0.007 4.176 4.170 -0.000 0.000 0.266 233 I C 2.454 178.528 176.117 -0.073 0.000 1.234 233 I CA 0.406 61.666 61.300 -0.066 0.000 1.483 233 I CB 0.010 37.973 38.000 -0.062 0.000 1.097 233 I HN 0.138 nan 8.210 nan 0.000 0.455 234 K N 1.381 121.750 120.400 -0.051 0.000 2.044 234 K HA -0.153 4.167 4.320 -0.000 0.000 0.210 234 K C -0.913 175.650 176.600 -0.062 0.000 1.049 234 K CA 1.525 57.780 56.287 -0.053 0.000 0.927 234 K CB -1.300 31.181 32.500 -0.031 0.000 0.713 234 K HN 0.371 nan 8.250 nan 0.000 0.443 235 P HA 0.065 nan 4.420 nan 0.000 0.253 235 P C 0.315 177.572 177.300 -0.071 0.000 1.459 235 P CA 0.631 63.699 63.100 -0.053 0.000 0.908 235 P CB 0.056 31.733 31.700 -0.038 0.000 1.470 236 L N -1.747 119.418 121.223 -0.097 0.000 2.817 236 L HA 0.237 4.577 4.340 -0.000 0.000 0.248 236 L C 0.349 177.123 176.870 -0.160 0.000 1.133 236 L CA -0.346 54.417 54.840 -0.128 0.000 0.935 236 L CB 0.079 42.045 42.059 -0.154 0.000 1.266 236 L HN -0.078 nan 8.230 nan 0.000 0.535 237 L N 2.087 123.217 121.223 -0.155 0.000 2.349 237 L HA 0.249 4.589 4.340 -0.000 0.000 0.275 237 L C -0.786 175.971 176.870 -0.188 0.000 1.115 237 L CA -1.417 53.302 54.840 -0.201 0.000 0.820 237 L CB 0.232 42.159 42.059 -0.220 0.000 1.135 237 L HN -0.142 nan 8.230 nan 0.000 0.445 238 P HA -0.054 nan 4.420 nan 0.000 0.224 238 P C -0.648 176.688 177.300 0.061 0.000 1.157 238 P CA 1.001 64.067 63.100 -0.056 0.000 0.799 238 P CB 0.218 31.916 31.700 -0.003 0.000 0.809 239 Y N -1.532 118.755 120.300 -0.021 0.000 2.605 239 Y HA 0.779 5.329 4.550 -0.000 0.000 0.343 239 Y C -2.779 173.121 175.900 0.000 0.000 1.036 239 Y CA -3.712 54.382 58.100 -0.010 0.000 1.065 239 Y CB -0.662 37.793 38.460 -0.008 0.000 1.288 239 Y HN -0.322 nan 8.280 nan 0.000 0.481 240 P HA 0.203 nan 4.420 nan 0.000 0.271 240 P C -0.872 176.559 177.300 0.218 0.000 1.220 240 P CA 0.043 63.222 63.100 0.132 0.000 0.768 240 P CB 1.236 32.999 31.700 0.104 0.000 0.848 241 L N 3.242 124.525 121.223 0.100 0.000 2.305 241 L HA 0.270 4.610 4.340 -0.000 0.000 0.281 241 L C 0.841 177.772 176.870 0.102 0.000 1.085 241 L CA -0.631 54.279 54.840 0.116 0.000 0.813 241 L CB 0.425 42.499 42.059 0.024 0.000 1.157 241 L HN 0.221 nan 8.230 nan 0.000 0.436 242 K N 2.219 122.684 120.400 0.109 0.000 2.172 242 K HA 0.254 4.574 4.320 -0.000 0.000 0.276 242 K C -0.417 176.237 176.600 0.089 0.000 1.013 242 K CA -0.407 55.933 56.287 0.089 0.000 0.913 242 K CB 1.136 33.688 32.500 0.088 0.000 1.055 242 K HN 0.358 nan 8.250 nan 0.000 0.461 243 E N 1.481 121.737 120.200 0.093 0.000 2.259 243 E HA 0.231 4.581 4.350 -0.000 0.000 0.281 243 E C 0.008 176.707 176.600 0.166 0.000 1.037 243 E CA -0.191 56.285 56.400 0.126 0.000 0.854 243 E CB 0.918 30.687 29.700 0.115 0.000 1.051 243 E HN 0.687 nan 8.360 nan 0.000 0.409 244 A N 5.240 128.211 122.820 0.251 0.000 2.044 244 A HA 0.078 4.398 4.320 -0.000 0.000 0.213 244 A C 0.241 178.053 177.584 0.380 0.000 1.169 244 A CA 0.103 52.326 52.037 0.311 0.000 0.724 244 A CB 0.163 19.374 19.000 0.352 0.000 0.840 244 A HN 0.611 nan 8.150 nan 0.000 0.463 245 F N 1.390 121.466 119.950 0.211 0.000 2.420 245 F HA 0.538 5.065 4.527 -0.000 0.000 0.342 245 F C 0.377 176.171 175.800 -0.010 0.000 1.113 245 F CA -0.278 57.748 58.000 0.042 0.000 1.059 245 F CB 1.497 40.415 39.000 -0.136 0.000 1.128 245 F HN 0.111 nan 8.300 nan 0.000 0.475 246 S N 5.915 121.471 115.700 -0.240 0.000 2.627 246 S HA 0.835 5.305 4.470 -0.000 0.000 0.283 246 S C -1.838 172.398 174.600 -0.607 0.000 1.127 246 S CA -0.856 57.196 58.200 -0.246 0.000 0.863 246 S CB 2.041 65.201 63.200 -0.066 0.000 1.121 246 S HN 0.771 nan 8.310 nan 0.000 0.479 247 L N 1.867 122.612 121.223 -0.798 0.000 2.438 247 L HA 0.648 4.988 4.340 -0.000 0.000 0.270 247 L C -1.328 174.783 176.870 -1.266 0.000 0.972 247 L CA -0.077 54.253 54.840 -0.851 0.000 0.831 247 L CB 1.666 43.441 42.059 -0.473 0.000 1.273 247 L HN 0.966 nan 8.230 nan 0.000 0.405 248 H N 2.288 120.814 119.070 -0.907 0.000 2.894 248 H HA 0.790 5.346 4.556 -0.000 0.000 0.368 248 H C -1.120 173.565 175.328 -1.072 0.000 1.181 248 H CA -0.769 54.651 56.048 -1.046 0.000 1.146 248 H CB 2.329 31.249 29.762 -1.404 0.000 1.839 248 H HN 0.595 nan 8.280 nan 0.000 0.557 249 S N 0.048 115.403 115.700 -0.575 0.000 2.688 249 S HA 0.602 5.072 4.470 -0.000 0.000 0.275 249 S C -1.374 173.181 174.600 -0.075 0.000 1.175 249 S CA -0.792 57.234 58.200 -0.289 0.000 0.818 249 S CB 1.923 64.973 63.200 -0.250 0.000 1.157 249 S HN 0.613 nan 8.310 nan 0.000 0.482 250 R N 0.888 121.412 120.500 0.041 0.000 2.725 250 R HA 0.487 4.827 4.340 -0.000 0.000 0.277 250 R C -1.109 175.217 176.300 0.042 0.000 0.987 250 R CA -0.851 55.297 56.100 0.080 0.000 0.901 250 R CB 1.287 31.685 30.300 0.163 0.000 1.207 250 R HN 0.555 nan 8.270 nan 0.000 0.463 251 L N 2.642 123.884 121.223 0.033 0.000 2.513 251 L HA 0.009 4.349 4.340 -0.000 0.000 0.272 251 L C 1.495 178.398 176.870 0.056 0.000 1.187 251 L CA -0.012 54.848 54.840 0.033 0.000 0.895 251 L CB 0.609 42.683 42.059 0.024 0.000 1.147 251 L HN 0.619 nan 8.230 nan 0.000 0.483 252 V N -1.162 118.794 119.914 0.069 0.000 3.645 252 V HA 0.282 4.402 4.120 -0.000 0.000 0.275 252 V C 0.094 176.274 176.094 0.143 0.000 1.356 252 V CA 0.135 62.484 62.300 0.082 0.000 1.051 252 V CB -0.021 31.836 31.823 0.057 0.000 0.828 252 V HN 0.843 nan 8.190 nan 0.000 0.441 253 H N -0.809 118.275 119.070 0.023 0.000 3.046 253 H HA 0.811 5.367 4.556 -0.000 0.000 0.361 253 H C -1.701 173.657 175.328 0.049 0.000 1.235 253 H CA -0.558 55.510 56.048 0.034 0.000 1.146 253 H CB 2.321 32.100 29.762 0.027 0.000 1.859 253 H HN -0.001 nan 8.280 nan 0.000 0.548 254 V N 4.486 124.317 119.914 -0.138 0.000 2.808 254 V HA 0.480 4.600 4.120 -0.000 0.000 0.308 254 V C -1.092 174.887 176.094 -0.191 0.000 1.099 254 V CA -0.868 61.386 62.300 -0.077 0.000 0.920 254 V CB 1.977 33.817 31.823 0.027 0.000 1.014 254 V HN 0.860 nan 8.190 nan 0.000 0.425 255 K N 2.486 122.863 120.400 -0.038 0.000 2.546 255 K HA 0.590 4.910 4.320 -0.000 0.000 0.264 255 K C -1.414 175.101 176.600 -0.142 0.000 0.937 255 K CA -1.058 55.174 56.287 -0.093 0.000 0.833 255 K CB 2.958 35.308 32.500 -0.250 0.000 1.378 255 K HN 0.483 nan 8.250 nan 0.000 0.432 256 K N 3.912 124.001 120.400 -0.518 0.000 2.262 256 K HA 0.267 4.587 4.320 -0.000 0.000 0.282 256 K C -0.710 175.622 176.600 -0.447 0.000 1.066 256 K CA -0.571 55.152 56.287 -0.940 0.000 0.901 256 K CB 0.598 32.245 32.500 -1.422 0.000 1.089 256 K HN 0.564 nan 8.250 nan 0.000 0.476 257 L N 4.400 125.431 121.223 -0.320 0.000 2.326 257 L HA 0.217 4.557 4.340 -0.000 0.000 0.278 257 L C 0.381 177.147 176.870 -0.174 0.000 1.092 257 L CA -0.854 53.880 54.840 -0.177 0.000 0.810 257 L CB 1.426 43.438 42.059 -0.078 0.000 1.153 257 L HN 0.618 nan 8.230 nan 0.000 0.439 258 Q N 2.786 122.509 119.800 -0.128 0.000 2.260 258 Q HA 0.359 4.699 4.340 -0.000 0.000 0.238 258 Q C -2.189 173.765 176.000 -0.077 0.000 0.948 258 Q CA -2.055 53.686 55.803 -0.103 0.000 0.895 258 Q CB 0.574 29.261 28.738 -0.084 0.000 1.218 258 Q HN 0.295 nan 8.270 nan 0.000 0.470 259 P HA -0.013 nan 4.420 nan 0.000 0.266 259 P C 0.521 177.785 177.300 -0.062 0.000 1.193 259 P CA 1.209 64.269 63.100 -0.066 0.000 0.770 259 P CB 0.333 32.000 31.700 -0.056 0.000 0.836 260 G N 0.846 109.603 108.800 -0.073 0.000 2.179 260 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.260 260 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.260 260 G C 0.015 174.882 174.900 -0.056 0.000 0.977 260 G CA -0.214 44.847 45.100 -0.064 0.000 0.641 260 G HN 0.574 nan 8.290 nan 0.000 0.533 261 E N 0.592 120.759 120.200 -0.054 0.000 2.283 261 E HA 0.472 4.822 4.350 -0.000 0.000 0.278 261 E C 0.131 176.718 176.600 -0.022 0.000 1.027 261 E CA -0.230 56.150 56.400 -0.034 0.000 0.843 261 E CB 0.818 30.500 29.700 -0.031 0.000 1.062 261 E HN 0.288 nan 8.360 nan 0.000 0.401 262 K N 1.120 121.519 120.400 -0.001 0.000 2.110 262 K HA 0.454 4.774 4.320 -0.000 0.000 0.263 262 K C -0.978 175.657 176.600 0.058 0.000 0.975 262 K CA -0.573 55.731 56.287 0.028 0.000 0.895 262 K CB 1.600 34.109 32.500 0.014 0.000 1.060 262 K HN 0.154 nan 8.250 nan 0.000 0.448 263 V N 1.870 121.852 119.914 0.113 0.000 2.577 263 V HA 0.393 4.513 4.120 -0.000 0.000 0.303 263 V C 0.093 176.216 176.094 0.049 0.000 1.042 263 V CA -0.654 61.701 62.300 0.093 0.000 0.872 263 V CB 1.174 33.094 31.823 0.162 0.000 0.998 263 V HN 1.023 nan 8.190 nan 0.000 0.423 264 S N 3.253 118.925 115.700 -0.046 0.000 3.443 264 S HA -0.216 4.254 4.470 -0.000 0.000 0.635 264 S C -0.420 174.084 174.600 -0.160 0.000 2.555 264 S CA 0.341 58.449 58.200 -0.154 0.000 2.778 264 S CB -0.727 62.433 63.200 -0.067 0.000 0.331 264 S HN 0.738 nan 8.310 nan 0.000 1.765 265 Y N 1.711 122.048 120.300 0.062 0.000 2.511 265 Y HA 0.385 4.935 4.550 -0.000 0.000 0.332 265 Y C 1.836 177.771 175.900 0.059 0.000 1.177 265 Y CA 1.032 59.168 58.100 0.060 0.000 1.422 265 Y CB 0.019 38.521 38.460 0.069 0.000 1.271 265 Y HN 1.373 nan 8.280 nan 0.000 0.550 266 G N 1.994 110.938 108.800 0.238 0.000 2.189 266 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.267 266 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.267 266 G C 0.796 175.758 174.900 0.103 0.000 0.975 266 G CA 0.298 45.488 45.100 0.148 0.000 0.644 266 G HN 1.850 nan 8.290 nan 0.000 0.537 267 A N -1.236 121.637 122.820 0.088 0.000 2.748 267 A HA -0.053 4.267 4.320 -0.000 0.000 0.297 267 A C 2.155 179.786 177.584 0.078 0.000 1.508 267 A CA 2.650 54.727 52.037 0.067 0.000 0.799 267 A CB -2.323 16.703 19.000 0.044 0.000 1.011 267 A HN 2.451 nan 8.150 nan 0.000 0.500 268 T N -3.773 110.845 114.554 0.108 0.000 3.160 268 T HA 0.274 4.624 4.350 -0.000 0.000 0.257 268 T C 0.272 175.068 174.700 0.160 0.000 1.147 268 T CA 1.163 63.333 62.100 0.117 0.000 1.064 268 T CB -0.190 68.756 68.868 0.129 0.000 0.949 268 T HN 1.208 nan 8.240 nan 0.000 0.526 269 Y N 1.439 121.759 120.300 0.034 0.000 2.364 269 Y HA 0.546 5.096 4.550 0.000 0.000 0.340 269 Y C -0.893 175.015 175.900 0.015 0.000 0.975 269 Y CA -0.927 57.190 58.100 0.030 0.000 1.089 269 Y CB 1.992 40.465 38.460 0.022 0.000 1.192 269 Y HN -0.022 nan 8.280 nan 0.000 0.454 270 T N 5.637 119.821 114.554 -0.617 0.000 2.807 270 T HA 0.678 5.028 4.350 -0.000 0.000 0.279 270 T C -0.561 173.684 174.700 -0.759 0.000 0.993 270 T CA -0.561 61.256 62.100 -0.472 0.000 0.970 270 T CB 1.113 69.830 68.868 -0.252 0.000 0.950 270 T HN 0.834 nan 8.240 nan 0.000 0.441 271 A N 2.536 125.122 122.820 -0.389 0.000 2.409 271 A HA 0.366 4.686 4.320 -0.000 0.000 0.267 271 A C 1.019 178.500 177.584 -0.172 0.000 1.127 271 A CA -0.201 51.702 52.037 -0.223 0.000 0.795 271 A CB 0.442 19.411 19.000 -0.051 0.000 1.061 271 A HN 0.807 nan 8.150 nan 0.000 0.502 272 Q N 0.677 120.400 119.800 -0.128 0.000 2.349 272 Q HA 0.114 4.454 4.340 -0.000 0.000 0.209 272 Q C 0.911 176.884 176.000 -0.045 0.000 0.920 272 Q CA 1.674 57.427 55.803 -0.084 0.000 0.901 272 Q CB 0.464 29.160 28.738 -0.071 0.000 1.021 272 Q HN 0.916 nan 8.270 nan 0.000 0.519 273 T N -2.033 112.507 114.554 -0.024 0.000 2.768 273 T HA 0.415 4.765 4.350 -0.000 0.000 0.268 273 T C -0.459 174.218 174.700 -0.039 0.000 0.969 273 T CA -0.887 61.203 62.100 -0.018 0.000 1.008 273 T CB 0.710 69.584 68.868 0.009 0.000 1.371 273 T HN -0.137 nan 8.240 nan 0.000 0.587 274 E N 1.254 121.425 120.200 -0.047 0.000 1.996 274 E HA 0.244 4.594 4.350 -0.000 0.000 0.280 274 E C -0.779 175.757 176.600 -0.107 0.000 1.092 274 E CA -0.054 56.279 56.400 -0.110 0.000 0.862 274 E CB 0.414 30.053 29.700 -0.101 0.000 1.066 274 E HN 0.420 nan 8.360 nan 0.000 0.396 275 E N 2.634 122.743 120.200 -0.152 0.000 2.199 275 E HA 0.265 4.615 4.350 -0.000 0.000 0.269 275 E C -1.213 175.267 176.600 -0.201 0.000 0.899 275 E CA -0.701 55.657 56.400 -0.069 0.000 0.772 275 E CB 1.379 31.103 29.700 0.041 0.000 1.155 275 E HN 0.320 nan 8.360 nan 0.000 0.408 276 W N 3.608 124.908 121.300 0.000 0.000 2.361 276 W HA 0.343 5.003 4.660 0.000 0.000 0.309 276 W C -0.480 176.020 176.519 -0.032 0.000 1.122 276 W CA -0.498 56.833 57.345 -0.023 0.000 1.208 276 W CB 0.745 30.190 29.460 -0.025 0.000 1.246 276 W HN 0.202 nan 8.180 nan 0.000 0.490 277 I N 3.629 124.288 120.570 0.148 0.000 2.433 277 I HA 0.478 4.648 4.170 -0.000 0.000 0.292 277 I C 0.552 176.693 176.117 0.040 0.000 1.001 277 I CA -0.682 60.651 61.300 0.055 0.000 1.119 277 I CB 0.980 38.983 38.000 0.004 0.000 1.289 277 I HN 0.517 nan 8.210 nan 0.000 0.438 278 G N 3.977 112.790 108.800 0.022 0.000 2.416 278 G HA2 0.615 4.574 3.960 -0.000 0.000 0.329 278 G HA3 0.615 4.574 3.960 -0.000 0.000 0.329 278 G C -0.708 174.199 174.900 0.012 0.000 1.173 278 G CA -0.251 44.859 45.100 0.017 0.000 0.929 278 G HN 0.493 nan 8.290 nan 0.000 0.475 279 T N 1.971 116.552 114.554 0.044 0.000 2.767 279 T HA 0.516 4.866 4.350 -0.000 0.000 0.284 279 T C 0.360 175.075 174.700 0.025 0.000 0.973 279 T CA -0.151 61.974 62.100 0.042 0.000 0.996 279 T CB 0.958 69.878 68.868 0.087 0.000 0.927 279 T HN 0.578 nan 8.240 nan 0.000 0.456 280 I N 0.996 121.561 120.570 -0.008 0.000 2.530 280 I HA 0.597 4.767 4.170 -0.000 0.000 0.297 280 I C -2.578 173.516 176.117 -0.037 0.000 1.011 280 I CA -3.357 57.924 61.300 -0.032 0.000 1.107 280 I CB 2.511 40.459 38.000 -0.086 0.000 1.285 280 I HN 0.254 nan 8.210 nan 0.000 0.436 281 P HA 0.393 nan 4.420 nan 0.000 0.214 281 P C -0.653 176.612 177.300 -0.058 0.000 1.826 281 P CA 0.220 63.304 63.100 -0.025 0.000 0.977 281 P CB 0.200 31.906 31.700 0.011 0.000 1.930 282 I N -0.060 120.455 120.570 -0.091 0.000 2.769 282 I HA 0.781 4.951 4.170 -0.000 0.000 0.298 282 I C -0.513 175.578 176.117 -0.043 0.000 1.128 282 I CA -0.601 60.631 61.300 -0.113 0.000 1.031 282 I CB 2.468 40.317 38.000 -0.251 0.000 1.235 282 I HN 0.219 nan 8.210 nan 0.000 0.423 283 G N 3.521 112.325 108.800 0.006 0.000 2.731 283 G HA2 0.165 4.125 3.960 -0.000 0.000 0.309 283 G HA3 0.165 4.125 3.960 -0.000 0.000 0.309 283 G C -0.626 174.335 174.900 0.100 0.000 1.273 283 G CA -0.011 45.117 45.100 0.047 0.000 0.798 283 G HN 0.661 nan 8.290 nan 0.000 0.509 284 Y N -0.988 119.380 120.300 0.114 0.000 2.439 284 Y HA 0.364 4.914 4.550 -0.000 0.000 0.292 284 Y C 2.442 178.375 175.900 0.056 0.000 1.130 284 Y CA 1.235 59.380 58.100 0.075 0.000 1.254 284 Y CB -0.795 37.687 38.460 0.036 0.000 1.000 284 Y HN 0.395 nan 8.280 nan 0.000 0.554 285 A N 0.453 123.300 122.820 0.044 0.000 2.168 285 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 285 A C 1.377 178.972 177.584 0.018 0.000 1.152 285 A CA 1.204 53.288 52.037 0.078 0.000 0.716 285 A CB -0.563 18.439 19.000 0.003 0.000 0.794 285 A HN 0.505 nan 8.150 nan 0.000 0.465 286 D N -0.946 119.465 120.400 0.017 0.000 2.339 286 D HA 0.219 4.859 4.640 -0.000 0.000 0.217 286 D C 1.357 177.702 176.300 0.076 0.000 1.050 286 D CA 0.965 54.963 54.000 -0.003 0.000 0.856 286 D CB 0.244 41.035 40.800 -0.014 0.000 0.922 286 D HN 0.545 nan 8.370 nan 0.000 0.518 287 G N 0.978 109.851 108.800 0.121 0.000 2.179 287 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 287 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 287 G C 0.040 175.044 174.900 0.173 0.000 0.977 287 G CA -0.171 45.004 45.100 0.124 0.000 0.641 287 G HN 0.417 nan 8.290 nan 0.000 0.533 288 W N 3.133 124.433 121.300 0.001 0.000 2.085 288 W HA 0.562 5.222 4.660 -0.000 0.000 0.392 288 W C 0.419 176.961 176.519 0.039 0.000 0.862 288 W CA -0.765 56.572 57.345 -0.015 0.000 1.542 288 W CB -0.377 29.063 29.460 -0.033 0.000 1.672 288 W HN 0.080 nan 8.180 nan 0.000 0.309 289 L N 4.220 125.336 121.223 -0.178 0.000 2.483 289 L HA 0.008 4.348 4.340 -0.000 0.000 0.275 289 L C 1.963 178.759 176.870 -0.123 0.000 1.220 289 L CA 0.203 54.982 54.840 -0.101 0.000 0.833 289 L CB 0.361 42.332 42.059 -0.147 0.000 1.102 289 L HN 0.353 nan 8.230 nan 0.000 0.490 290 R N 0.734 121.208 120.500 -0.044 0.000 2.159 290 R HA -0.172 4.168 4.340 -0.000 0.000 0.237 290 R C 2.093 178.370 176.300 -0.039 0.000 1.131 290 R CA 1.278 57.371 56.100 -0.012 0.000 0.982 290 R CB -0.210 30.055 30.300 -0.059 0.000 0.868 290 R HN 0.478 nan 8.270 nan 0.000 0.453 291 R N 0.897 121.354 120.500 -0.072 0.000 2.285 291 R HA -0.061 4.279 4.340 -0.000 0.000 0.213 291 R C 1.279 177.599 176.300 0.032 0.000 1.068 291 R CA 0.718 56.801 56.100 -0.028 0.000 1.004 291 R CB -0.025 30.235 30.300 -0.065 0.000 0.873 291 R HN 0.200 nan 8.270 nan 0.000 0.467 292 L N 0.592 121.734 121.223 -0.135 0.000 2.627 292 L HA 0.012 4.352 4.340 -0.000 0.000 0.233 292 L C 2.230 179.050 176.870 -0.084 0.000 1.144 292 L CA 0.224 54.922 54.840 -0.238 0.000 0.892 292 L CB -0.237 41.375 42.059 -0.746 0.000 1.039 292 L HN 0.336 nan 8.230 nan 0.000 0.442 293 Q N 0.365 120.142 119.800 -0.037 0.000 2.173 293 Q HA -0.269 4.071 4.340 -0.000 0.000 0.208 293 Q C 1.005 176.813 176.000 -0.321 0.000 0.989 293 Q CA 1.905 57.613 55.803 -0.158 0.000 0.872 293 Q CB 0.005 28.628 28.738 -0.193 0.000 0.909 293 Q HN 0.607 nan 8.270 nan 0.000 0.420 294 H N -1.639 117.552 119.070 0.202 0.000 2.519 294 H HA 0.182 4.738 4.556 -0.000 0.000 0.289 294 H C -0.826 174.549 175.328 0.078 0.000 1.040 294 H CA -0.489 55.657 56.048 0.165 0.000 1.165 294 H CB 0.140 30.066 29.762 0.273 0.000 1.462 294 H HN 0.133 nan 8.280 nan 0.000 0.555 295 F N 0.920 120.727 119.950 -0.238 0.000 2.370 295 F HA 0.266 4.793 4.527 -0.000 0.000 0.324 295 F C 0.042 175.735 175.800 -0.178 0.000 1.116 295 F CA -0.932 56.897 58.000 -0.285 0.000 1.123 295 F CB 0.669 39.339 39.000 -0.550 0.000 1.238 295 F HN 0.108 nan 8.300 nan 0.000 0.536 296 H N 3.105 121.738 119.070 -0.728 0.000 2.552 296 H HA 0.458 5.014 4.556 -0.000 0.000 0.311 296 H C -0.176 174.922 175.328 -0.383 0.000 1.071 296 H CA -0.427 55.348 56.048 -0.456 0.000 1.307 296 H CB 0.880 30.398 29.762 -0.406 0.000 1.416 296 H HN 0.491 nan 8.280 nan 0.000 0.464 297 V N 1.780 121.642 119.914 -0.086 0.000 3.336 297 V HA 0.521 4.640 4.120 -0.000 0.000 0.314 297 V C -0.068 176.005 176.094 -0.034 0.000 1.088 297 V CA -1.115 61.175 62.300 -0.016 0.000 1.033 297 V CB 1.321 33.132 31.823 -0.020 0.000 1.181 297 V HN 0.534 nan 8.190 nan 0.000 0.449 298 L N 1.250 122.452 121.223 -0.034 0.000 2.333 298 L HA 0.732 5.072 4.340 -0.000 0.000 0.280 298 L C -1.161 175.693 176.870 -0.027 0.000 1.004 298 L CA -0.690 54.136 54.840 -0.023 0.000 0.820 298 L CB 1.863 43.914 42.059 -0.014 0.000 1.247 298 L HN 0.556 nan 8.230 nan 0.000 0.416 299 V N 0.735 120.637 119.914 -0.021 0.000 2.524 299 V HA 0.250 4.370 4.120 -0.000 0.000 0.297 299 V C -0.259 175.825 176.094 -0.016 0.000 1.035 299 V CA -0.625 61.662 62.300 -0.021 0.000 0.867 299 V CB 1.400 33.208 31.823 -0.025 0.000 1.004 299 V HN 0.882 nan 8.190 nan 0.000 0.426 300 D N 4.119 124.511 120.400 -0.014 0.000 2.697 300 D HA -0.118 4.522 4.640 -0.000 0.000 0.238 300 D C 1.298 177.590 176.300 -0.012 0.000 1.152 300 D CA 2.050 56.041 54.000 -0.015 0.000 0.666 300 D CB -1.062 39.723 40.800 -0.024 0.000 1.037 300 D HN 1.868 nan 8.370 nan 0.000 0.423 301 G N -0.347 108.448 108.800 -0.008 0.000 2.184 301 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.264 301 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.264 301 G C 0.264 175.159 174.900 -0.007 0.000 0.975 301 G CA 0.766 45.862 45.100 -0.007 0.000 0.642 301 G HN 0.680 nan 8.290 nan 0.000 0.536 302 Q N -0.246 119.550 119.800 -0.006 0.000 2.377 302 Q HA 0.610 4.950 4.340 -0.000 0.000 0.271 302 Q C 0.031 176.035 176.000 0.006 0.000 1.077 302 Q CA -0.724 55.079 55.803 -0.001 0.000 0.820 302 Q CB 1.326 30.065 28.738 0.002 0.000 1.347 302 Q HN 0.309 nan 8.270 nan 0.000 0.444 303 K N 0.937 121.348 120.400 0.017 0.000 2.401 303 K HA 0.492 4.811 4.320 -0.000 0.000 0.278 303 K C -0.953 175.716 176.600 0.116 0.000 1.018 303 K CA 0.055 56.381 56.287 0.065 0.000 0.981 303 K CB 0.582 33.116 32.500 0.057 0.000 0.933 303 K HN 0.559 nan 8.250 nan 0.000 0.477 304 A N 4.878 127.735 122.820 0.061 0.000 2.408 304 A HA 0.464 4.784 4.320 -0.000 0.000 0.295 304 A C -2.673 174.772 177.584 -0.233 0.000 1.040 304 A CA -1.587 50.431 52.037 -0.032 0.000 0.707 304 A CB 1.281 20.259 19.000 -0.037 0.000 1.235 304 A HN 0.438 nan 8.150 nan 0.000 0.418 305 P HA 0.421 nan 4.420 nan 0.000 0.282 305 P C -0.574 176.559 177.300 -0.279 0.000 1.249 305 P CA -0.159 62.625 63.100 -0.526 0.000 0.806 305 P CB 0.938 32.373 31.700 -0.443 0.000 0.984 306 I N 2.305 122.738 120.570 -0.229 0.000 2.396 306 I HA 0.175 4.345 4.170 -0.000 0.000 0.289 306 I C 0.544 176.526 176.117 -0.225 0.000 1.056 306 I CA -0.464 60.750 61.300 -0.144 0.000 1.365 306 I CB 0.988 38.978 38.000 -0.018 0.000 1.407 306 I HN 0.030 nan 8.210 nan 0.000 0.509 307 V N 6.102 125.843 119.914 -0.289 0.000 2.513 307 V HA 0.813 4.933 4.120 -0.000 0.000 0.299 307 V C 0.481 176.372 176.094 -0.338 0.000 1.035 307 V CA 0.202 62.200 62.300 -0.503 0.000 0.889 307 V CB 1.440 32.828 31.823 -0.725 0.000 0.988 307 V HN 1.084 nan 8.190 nan 0.000 0.440 308 G N 5.474 114.163 108.800 -0.186 0.000 2.829 308 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.628 308 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.628 308 G C -0.389 174.512 174.900 0.001 0.000 1.412 308 G CA -0.546 44.550 45.100 -0.007 0.000 0.864 308 G HN 0.809 nan 8.290 nan 0.000 0.544 309 R N -0.841 119.703 120.500 0.073 0.000 2.643 309 R HA 0.361 4.701 4.340 -0.000 0.000 0.270 309 R C 0.811 177.196 176.300 0.142 0.000 1.061 309 R CA -0.183 55.989 56.100 0.120 0.000 1.107 309 R CB 0.393 30.823 30.300 0.216 0.000 0.999 309 R HN 0.447 nan 8.270 nan 0.000 0.460 310 I N 2.595 123.264 120.570 0.166 0.000 2.441 310 I HA 0.067 4.237 4.170 -0.000 0.000 0.287 310 I C 0.403 176.712 176.117 0.320 0.000 1.049 310 I CA -0.405 61.019 61.300 0.207 0.000 1.381 310 I CB 0.808 38.940 38.000 0.221 0.000 1.409 310 I HN 0.556 nan 8.210 nan 0.000 0.523 311 C N 5.133 124.564 119.300 0.217 0.000 2.365 311 C HA 0.204 4.664 4.460 -0.000 0.000 0.374 311 C C 1.983 176.753 174.990 -0.367 0.000 1.318 311 C CA -0.510 58.595 59.018 0.145 0.000 2.239 311 C CB 1.331 29.176 27.740 0.175 0.000 2.144 311 C HN 0.900 nan 8.230 nan 0.000 0.581 312 M N 0.848 120.068 119.600 -0.632 0.000 2.159 312 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 312 M C 0.596 176.614 176.300 -0.470 0.000 1.063 312 M CA 1.971 56.652 55.300 -1.032 0.000 1.110 312 M CB -0.072 32.217 32.600 -0.518 0.000 1.374 312 M HN 0.706 nan 8.290 nan 0.000 0.411 313 D N -1.257 119.009 120.400 -0.223 0.000 2.525 313 D HA 0.173 4.813 4.640 -0.000 0.000 0.231 313 D C -0.288 175.974 176.300 -0.063 0.000 1.216 313 D CA 0.126 54.057 54.000 -0.114 0.000 0.813 313 D CB 0.727 41.486 40.800 -0.068 0.000 1.108 313 D HN 0.415 nan 8.370 nan 0.000 0.524 314 Q N 0.239 120.012 119.800 -0.046 0.000 2.462 314 Q HA 0.601 4.941 4.340 -0.000 0.000 0.285 314 Q C -0.881 175.126 176.000 0.012 0.000 1.035 314 Q CA -0.854 54.940 55.803 -0.016 0.000 0.799 314 Q CB 3.188 31.921 28.738 -0.008 0.000 1.452 314 Q HN 0.271 nan 8.270 nan 0.000 0.404 315 C N -1.115 118.191 119.300 0.011 0.000 3.318 315 C HA 0.897 5.357 4.460 -0.000 0.000 0.322 315 C C -1.454 173.533 174.990 -0.004 0.000 1.398 315 C CA -0.798 58.236 59.018 0.027 0.000 1.339 315 C CB 1.020 28.811 27.740 0.085 0.000 1.668 315 C HN 0.825 nan 8.230 nan 0.000 0.462 316 M N 2.076 121.662 119.600 -0.022 0.000 2.535 316 M HA 0.827 5.307 4.480 -0.000 0.000 0.314 316 M C -0.316 175.932 176.300 -0.086 0.000 1.153 316 M CA -0.895 54.375 55.300 -0.050 0.000 0.924 316 M CB 1.624 34.186 32.600 -0.063 0.000 1.710 316 M HN 0.840 nan 8.290 nan 0.000 0.451 317 I N -1.476 119.045 120.570 -0.082 0.000 2.828 317 I HA 0.722 4.892 4.170 -0.000 0.000 0.302 317 I C -0.730 175.335 176.117 -0.087 0.000 1.101 317 I CA -1.087 60.152 61.300 -0.101 0.000 1.031 317 I CB 2.317 40.273 38.000 -0.073 0.000 1.231 317 I HN 0.668 nan 8.210 nan 0.000 0.427 318 R N 4.654 125.094 120.500 -0.099 0.000 2.215 318 R HA 0.588 4.928 4.340 -0.000 0.000 0.336 318 R C -1.192 175.110 176.300 0.003 0.000 0.996 318 R CA -0.571 55.508 56.100 -0.036 0.000 0.847 318 R CB 0.764 31.042 30.300 -0.037 0.000 1.127 318 R HN 0.736 nan 8.270 nan 0.000 0.465 319 L N 6.886 128.137 121.223 0.047 0.000 2.439 319 L HA 0.211 4.551 4.340 -0.000 0.000 0.269 319 L C -0.875 176.032 176.870 0.063 0.000 1.179 319 L CA -1.634 53.235 54.840 0.050 0.000 0.828 319 L CB 0.890 42.992 42.059 0.072 0.000 1.106 319 L HN 0.597 nan 8.230 nan 0.000 0.467 320 P HA -0.068 nan 4.420 nan 0.000 0.216 320 P C 0.502 177.817 177.300 0.025 0.000 1.150 320 P CA 1.043 64.158 63.100 0.026 0.000 0.837 320 P CB 0.413 32.112 31.700 -0.000 0.000 0.786 321 G N -0.961 107.809 108.800 -0.049 0.000 2.570 321 G HA2 0.380 4.340 3.960 -0.000 0.000 0.310 321 G HA3 0.380 4.340 3.960 -0.000 0.000 0.310 321 G C -3.194 171.375 174.900 -0.552 0.000 1.266 321 G CA -0.730 44.247 45.100 -0.205 0.000 0.825 321 G HN -0.209 nan 8.290 nan 0.000 0.483 322 P HA 0.350 nan 4.420 nan 0.000 0.273 322 P C -0.375 176.605 177.300 -0.534 0.000 1.428 322 P CA 0.012 62.389 63.100 -1.204 0.000 0.995 322 P CB 0.455 31.057 31.700 -1.830 0.000 1.286 323 L N 5.984 127.012 121.223 -0.325 0.000 2.379 323 L HA 0.465 4.805 4.340 -0.000 0.000 0.269 323 L C -1.574 175.218 176.870 -0.129 0.000 1.084 323 L CA -2.366 52.365 54.840 -0.181 0.000 0.802 323 L CB 1.110 43.099 42.059 -0.115 0.000 1.175 323 L HN 0.173 nan 8.230 nan 0.000 0.448 324 P HA 0.065 nan 4.420 nan 0.000 0.275 324 P C -0.483 176.807 177.300 -0.018 0.000 1.228 324 P CA -0.317 62.753 63.100 -0.050 0.000 0.786 324 P CB 1.125 32.800 31.700 -0.042 0.000 0.927 325 V N 2.293 122.210 119.914 0.005 0.000 2.599 325 V HA 0.282 4.402 4.120 -0.000 0.000 0.300 325 V C 1.654 177.763 176.094 0.025 0.000 1.034 325 V CA 2.136 64.454 62.300 0.030 0.000 1.115 325 V CB -0.211 31.643 31.823 0.052 0.000 0.934 325 V HN 1.098 nan 8.190 nan 0.000 0.485 326 G N 3.596 112.417 108.800 0.035 0.000 2.184 326 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.206 326 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.206 326 G C 0.282 175.208 174.900 0.043 0.000 0.995 326 G CA -0.038 45.087 45.100 0.041 0.000 0.651 326 G HN 0.733 nan 8.290 nan 0.000 0.511 327 T N 1.692 116.261 114.554 0.026 0.000 2.888 327 T HA 0.364 4.714 4.350 -0.000 0.000 0.301 327 T C 0.524 175.245 174.700 0.035 0.000 1.001 327 T CA 0.483 62.594 62.100 0.019 0.000 1.147 327 T CB 1.474 70.338 68.868 -0.006 0.000 0.931 327 T HN 0.468 nan 8.240 nan 0.000 0.541 328 K N 3.035 123.465 120.400 0.049 0.000 2.379 328 K HA 0.292 4.612 4.320 -0.000 0.000 0.284 328 K C -0.904 175.701 176.600 0.008 0.000 1.044 328 K CA -0.410 55.913 56.287 0.060 0.000 0.974 328 K CB 0.356 32.909 32.500 0.088 0.000 0.962 328 K HN 0.323 nan 8.250 nan 0.000 0.474 329 V N 4.065 123.959 119.914 -0.034 0.000 2.398 329 V HA 0.196 4.316 4.120 -0.000 0.000 0.286 329 V C -0.229 175.798 176.094 -0.111 0.000 1.026 329 V CA -0.734 61.521 62.300 -0.075 0.000 0.868 329 V CB 1.705 33.464 31.823 -0.106 0.000 0.982 329 V HN 0.819 nan 8.190 nan 0.000 0.443 330 T N 6.277 120.784 114.554 -0.078 0.000 2.749 330 T HA 0.437 4.787 4.350 -0.000 0.000 0.287 330 T C 0.751 175.330 174.700 -0.201 0.000 0.970 330 T CA -0.224 61.800 62.100 -0.127 0.000 0.980 330 T CB 1.319 70.194 68.868 0.011 0.000 0.924 330 T HN 0.371 nan 8.240 nan 0.000 0.456 331 L N 3.569 124.576 121.223 -0.359 0.000 2.298 331 L HA 0.434 4.774 4.340 -0.000 0.000 0.209 331 L C 0.447 177.289 176.870 -0.047 0.000 1.084 331 L CA 1.003 55.668 54.840 -0.292 0.000 0.816 331 L CB 0.005 41.578 42.059 -0.810 0.000 0.967 331 L HN 0.572 nan 8.230 nan 0.000 0.460 332 I N -0.697 119.775 120.570 -0.162 0.000 2.512 332 I HA 0.642 4.812 4.170 -0.000 0.000 0.287 332 I C 0.176 176.221 176.117 -0.120 0.000 1.069 332 I CA -0.426 60.863 61.300 -0.018 0.000 1.056 332 I CB 1.634 39.680 38.000 0.077 0.000 1.229 332 I HN 0.136 nan 8.210 nan 0.000 0.429 333 G N 5.182 113.971 108.800 -0.018 0.000 2.302 333 G HA2 0.129 4.089 3.960 -0.000 0.000 0.264 333 G HA3 0.129 4.089 3.960 -0.000 0.000 0.264 333 G C -1.791 173.130 174.900 0.036 0.000 1.335 333 G CA -0.954 44.150 45.100 0.005 0.000 0.982 333 G HN 0.548 nan 8.290 nan 0.000 0.473 334 R N 0.046 120.579 120.500 0.055 0.000 2.599 334 R HA 0.681 5.021 4.340 -0.000 0.000 0.295 334 R C -1.085 175.237 176.300 0.036 0.000 0.963 334 R CA -0.541 55.581 56.100 0.037 0.000 0.883 334 R CB 1.634 31.950 30.300 0.026 0.000 1.171 334 R HN 0.499 nan 8.270 nan 0.000 0.450 335 Q N 2.292 122.104 119.800 0.021 0.000 2.786 335 Q HA 0.229 4.569 4.340 -0.000 0.000 0.240 335 Q C 0.128 176.131 176.000 0.005 0.000 0.928 335 Q CA 0.256 56.067 55.803 0.014 0.000 0.721 335 Q CB 1.846 30.591 28.738 0.012 0.000 1.318 335 Q HN 1.024 nan 8.270 nan 0.000 0.474 336 G N 3.261 112.063 108.800 0.002 0.000 3.581 336 G HA2 -0.477 3.483 3.960 -0.000 0.000 0.336 336 G HA3 -0.477 3.483 3.960 -0.000 0.000 0.336 336 G C 0.642 175.542 174.900 0.000 0.000 1.259 336 G CA 1.179 46.278 45.100 -0.001 0.000 1.001 336 G HN 0.647 nan 8.290 nan 0.000 0.662 337 D N 0.656 121.055 120.400 -0.001 0.000 2.216 337 D HA 0.187 4.827 4.640 -0.000 0.000 0.208 337 D C 0.908 177.208 176.300 -0.001 0.000 0.960 337 D CA 0.871 54.870 54.000 -0.002 0.000 0.861 337 D CB 0.128 40.925 40.800 -0.004 0.000 0.985 337 D HN 0.369 nan 8.370 nan 0.000 0.493 338 E N 0.244 120.443 120.200 -0.001 0.000 2.248 338 E HA 0.374 4.724 4.350 -0.000 0.000 0.272 338 E C -1.034 175.570 176.600 0.007 0.000 1.008 338 E CA -0.584 55.815 56.400 -0.002 0.000 0.856 338 E CB 2.396 32.091 29.700 -0.008 0.000 1.120 338 E HN -0.111 nan 8.360 nan 0.000 0.397 339 V N 3.446 123.367 119.914 0.011 0.000 2.841 339 V HA 0.487 4.607 4.120 -0.000 0.000 0.310 339 V C -1.118 174.997 176.094 0.036 0.000 1.090 339 V CA -0.643 61.672 62.300 0.025 0.000 0.930 339 V CB 1.717 33.558 31.823 0.030 0.000 1.014 339 V HN 0.516 nan 8.190 nan 0.000 0.425 340 I N 5.764 126.370 120.570 0.059 0.000 2.406 340 I HA 0.558 4.728 4.170 -0.000 0.000 0.290 340 I C 0.217 176.406 176.117 0.119 0.000 0.999 340 I CA -0.258 61.108 61.300 0.111 0.000 1.124 340 I CB 2.156 40.255 38.000 0.165 0.000 1.289 340 I HN 0.743 nan 8.210 nan 0.000 0.441 341 S N 5.241 121.018 115.700 0.129 0.000 2.718 341 S HA 0.548 5.018 4.470 -0.000 0.000 0.300 341 S C 0.904 175.582 174.600 0.131 0.000 1.117 341 S CA -0.772 57.497 58.200 0.115 0.000 1.002 341 S CB 1.792 65.044 63.200 0.087 0.000 1.092 341 S HN 0.591 nan 8.310 nan 0.000 0.542 342 I N 0.646 121.278 120.570 0.102 0.000 2.394 342 I HA -0.141 4.029 4.170 -0.000 0.000 0.251 342 I C 1.552 177.702 176.117 0.054 0.000 1.136 342 I CA 1.134 62.477 61.300 0.072 0.000 1.425 342 I CB -0.279 37.743 38.000 0.038 0.000 1.079 342 I HN 0.669 nan 8.210 nan 0.000 0.425 343 D N 0.767 121.204 120.400 0.062 0.000 2.218 343 D HA -0.172 4.468 4.640 -0.000 0.000 0.204 343 D C 1.640 177.990 176.300 0.083 0.000 0.976 343 D CA 1.102 55.137 54.000 0.058 0.000 0.853 343 D CB -0.169 40.663 40.800 0.053 0.000 0.939 343 D HN 0.323 nan 8.370 nan 0.000 0.481 344 D N -0.368 120.109 120.400 0.129 0.000 2.149 344 D HA -0.072 4.568 4.640 -0.000 0.000 0.201 344 D C 2.286 178.721 176.300 0.225 0.000 0.972 344 D CA 0.335 54.465 54.000 0.216 0.000 0.835 344 D CB -0.058 40.914 40.800 0.287 0.000 0.966 344 D HN 0.076 nan 8.370 nan 0.000 0.476 345 V N 1.315 121.277 119.914 0.080 0.000 2.358 345 V HA -0.164 3.956 4.120 -0.000 0.000 0.246 345 V C 2.499 178.484 176.094 -0.181 0.000 1.047 345 V CA 1.647 63.797 62.300 -0.251 0.000 1.035 345 V CB -0.781 30.911 31.823 -0.218 0.000 0.658 345 V HN 0.159 nan 8.190 nan 0.000 0.452 346 A N 0.035 122.817 122.820 -0.062 0.000 1.933 346 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 346 A C 2.395 179.970 177.584 -0.014 0.000 1.175 346 A CA 1.951 53.961 52.037 -0.045 0.000 0.628 346 A CB -0.558 18.438 19.000 -0.005 0.000 0.814 346 A HN 0.483 nan 8.150 nan 0.000 0.444 347 R N -1.404 119.118 120.500 0.036 0.000 2.080 347 R HA -0.240 4.100 4.340 -0.000 0.000 0.236 347 R C 2.155 178.488 176.300 0.055 0.000 1.137 347 R CA 2.145 58.280 56.100 0.059 0.000 0.943 347 R CB -0.469 29.897 30.300 0.110 0.000 0.846 347 R HN 0.722 nan 8.270 nan 0.000 0.431 348 H N -0.382 118.685 119.070 -0.006 0.000 2.423 348 H HA 0.020 4.576 4.556 -0.000 0.000 0.297 348 H C 1.543 176.808 175.328 -0.104 0.000 1.075 348 H CA 1.493 57.528 56.048 -0.021 0.000 1.342 348 H CB 0.146 29.894 29.762 -0.022 0.000 1.395 348 H HN 0.164 nan 8.280 nan 0.000 0.530 349 L N 0.186 121.367 121.223 -0.069 0.000 2.591 349 L HA 0.048 4.388 4.340 -0.000 0.000 0.228 349 L C 0.184 176.998 176.870 -0.094 0.000 1.133 349 L CA 0.374 55.146 54.840 -0.113 0.000 0.880 349 L CB 0.045 42.007 42.059 -0.161 0.000 1.033 349 L HN 0.310 nan 8.230 nan 0.000 0.450 350 E N 0.581 120.736 120.200 -0.075 0.000 2.389 350 E HA -0.191 4.159 4.350 -0.000 0.000 0.243 350 E C -0.014 176.557 176.600 -0.048 0.000 1.154 350 E CA 0.599 56.964 56.400 -0.059 0.000 0.723 350 E CB -1.608 28.050 29.700 -0.069 0.000 1.261 350 E HN 0.607 nan 8.360 nan 0.000 0.390 351 T N -1.927 112.602 114.554 -0.042 0.000 2.762 351 T HA 0.751 5.101 4.350 -0.000 0.000 0.272 351 T C 0.729 175.430 174.700 0.002 0.000 0.982 351 T CA -0.964 61.119 62.100 -0.028 0.000 1.013 351 T CB 1.389 70.234 68.868 -0.037 0.000 1.309 351 T HN 0.294 nan 8.240 nan 0.000 0.572 352 I N 0.116 120.702 120.570 0.028 0.000 2.577 352 I HA 0.427 4.597 4.170 -0.000 0.000 0.300 352 I C 1.107 177.298 176.117 0.123 0.000 0.990 352 I CA -1.116 60.244 61.300 0.100 0.000 1.283 352 I CB 0.842 38.933 38.000 0.151 0.000 1.411 352 I HN 0.682 nan 8.210 nan 0.000 0.515 353 N N 3.345 122.126 118.700 0.134 0.000 2.192 353 N HA -0.293 4.447 4.740 -0.000 0.000 0.188 353 N C 1.257 176.803 175.510 0.061 0.000 1.013 353 N CA 1.682 54.766 53.050 0.056 0.000 0.863 353 N CB -1.027 37.461 38.487 0.002 0.000 0.990 353 N HN 0.801 nan 8.380 nan 0.000 0.430 354 Y N 0.606 120.896 120.300 -0.016 0.000 2.241 354 Y HA -0.141 4.409 4.550 -0.000 0.000 0.286 354 Y C 2.545 178.379 175.900 -0.110 0.000 1.166 354 Y CA 1.491 59.567 58.100 -0.040 0.000 1.203 354 Y CB -0.391 38.044 38.460 -0.043 0.000 0.977 354 Y HN 0.305 nan 8.280 nan 0.000 0.529 355 E N -0.337 119.917 120.200 0.090 0.000 2.216 355 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 355 E C 2.021 178.584 176.600 -0.062 0.000 0.988 355 E CA 0.665 57.057 56.400 -0.012 0.000 0.834 355 E CB 0.069 29.755 29.700 -0.024 0.000 0.772 355 E HN 0.252 nan 8.360 nan 0.000 0.479 356 V N 2.097 121.966 119.914 -0.076 0.000 2.244 356 V HA -0.131 3.989 4.120 -0.000 0.000 0.244 356 V C -0.844 175.130 176.094 -0.200 0.000 1.042 356 V CA 1.967 64.195 62.300 -0.120 0.000 1.006 356 V CB -1.292 30.467 31.823 -0.107 0.000 0.641 356 V HN 0.338 nan 8.190 nan 0.000 0.446 357 P HA -0.072 nan 4.420 nan 0.000 0.223 357 P C 1.713 178.790 177.300 -0.371 0.000 1.151 357 P CA 1.124 63.792 63.100 -0.720 0.000 0.787 357 P CB -0.240 30.706 31.700 -1.256 0.000 0.788 358 C N -0.358 118.814 119.300 -0.214 0.000 2.422 358 C HA -0.057 4.403 4.460 -0.000 0.000 0.279 358 C C 2.663 177.619 174.990 -0.056 0.000 1.305 358 C CA 1.679 60.629 59.018 -0.114 0.000 1.757 358 C CB -1.912 25.759 27.740 -0.115 0.000 1.962 358 C HN 0.305 nan 8.230 nan 0.000 0.499 359 T N 0.511 115.029 114.554 -0.059 0.000 3.067 359 T HA 0.157 4.507 4.350 -0.000 0.000 0.257 359 T C 0.614 175.329 174.700 0.025 0.000 1.105 359 T CA 0.343 62.436 62.100 -0.013 0.000 1.104 359 T CB -0.093 68.757 68.868 -0.030 0.000 0.925 359 T HN 0.176 nan 8.240 nan 0.000 0.498 360 I N 4.082 124.671 120.570 0.031 0.000 2.581 360 I HA 0.096 4.266 4.170 -0.000 0.000 0.285 360 I C 1.217 177.372 176.117 0.065 0.000 1.129 360 I CA -0.230 61.124 61.300 0.090 0.000 1.397 360 I CB -0.546 37.572 38.000 0.197 0.000 1.399 360 I HN 0.227 nan 8.210 nan 0.000 0.537 361 S N 7.133 122.846 115.700 0.022 0.000 2.661 361 S HA 0.137 4.607 4.470 -0.000 0.000 0.265 361 S C 1.365 175.923 174.600 -0.069 0.000 1.225 361 S CA -0.336 57.863 58.200 -0.002 0.000 0.986 361 S CB 0.461 63.628 63.200 -0.054 0.000 1.008 361 S HN 0.570 nan 8.310 nan 0.000 0.565 362 Y N -0.218 120.116 120.300 0.057 0.000 2.298 362 Y HA -0.062 4.488 4.550 -0.000 0.000 0.287 362 Y C 2.313 178.239 175.900 0.042 0.000 1.164 362 Y CA 1.443 59.575 58.100 0.055 0.000 1.229 362 Y CB -0.646 37.848 38.460 0.057 0.000 0.977 362 Y HN 0.599 nan 8.280 nan 0.000 0.538 363 R N 0.586 120.503 120.500 -0.971 0.000 2.193 363 R HA 0.031 4.371 4.340 -0.000 0.000 0.229 363 R C -0.321 175.821 176.300 -0.263 0.000 1.110 363 R CA 0.684 56.404 56.100 -0.634 0.000 0.988 363 R CB -0.077 29.821 30.300 -0.670 0.000 0.871 363 R HN 0.233 nan 8.270 nan 0.000 0.458 364 V N 3.109 122.900 119.914 -0.205 0.000 2.350 364 V HA 0.227 4.347 4.120 -0.000 0.000 0.276 364 V C -2.172 173.822 176.094 -0.166 0.000 1.028 364 V CA -2.148 60.053 62.300 -0.165 0.000 0.860 364 V CB 1.332 33.076 31.823 -0.132 0.000 0.990 364 V HN 0.057 nan 8.190 nan 0.000 0.453 365 P HA 0.216 nan 4.420 nan 0.000 0.267 365 P C -0.559 176.575 177.300 -0.277 0.000 1.200 365 P CA -0.316 62.608 63.100 -0.293 0.000 0.772 365 P CB 0.506 31.832 31.700 -0.622 0.000 0.855 366 R N 2.450 122.803 120.500 -0.245 0.000 2.294 366 R HA 0.513 4.853 4.340 -0.000 0.000 0.319 366 R C -0.309 175.675 176.300 -0.526 0.000 0.984 366 R CA -0.348 55.493 56.100 -0.430 0.000 0.861 366 R CB 0.337 30.350 30.300 -0.479 0.000 1.104 366 R HN 0.470 nan 8.270 nan 0.000 0.451 367 I N 4.432 124.742 120.570 -0.433 0.000 2.377 367 I HA 0.350 4.520 4.170 -0.000 0.000 0.293 367 I C -0.619 175.269 176.117 -0.382 0.000 0.987 367 I CA -0.627 60.510 61.300 -0.272 0.000 1.185 367 I CB 1.007 38.967 38.000 -0.067 0.000 1.341 367 I HN 0.360 nan 8.210 nan 0.000 0.455 368 F N 5.560 125.477 119.950 -0.056 0.000 2.450 368 F HA 0.520 5.047 4.527 -0.000 0.000 0.332 368 F C -0.363 175.361 175.800 -0.126 0.000 1.093 368 F CA -0.491 57.520 58.000 0.019 0.000 1.003 368 F CB 1.304 40.317 39.000 0.022 0.000 1.151 368 F HN 0.150 nan 8.300 nan 0.000 0.474 369 F N 2.030 122.113 119.950 0.223 0.000 2.507 369 F HA 0.710 5.237 4.527 -0.000 0.000 0.325 369 F C -0.199 175.655 175.800 0.090 0.000 1.116 369 F CA -0.834 57.242 58.000 0.126 0.000 0.930 369 F CB 2.111 41.161 39.000 0.083 0.000 1.146 369 F HN 0.292 nan 8.300 nan 0.000 0.447 370 R N 0.684 121.291 120.500 0.179 0.000 2.651 370 R HA 0.442 4.782 4.340 -0.000 0.000 0.278 370 R C -0.900 175.419 176.300 0.031 0.000 1.010 370 R CA -0.889 55.214 56.100 0.004 0.000 0.896 370 R CB 0.553 30.825 30.300 -0.048 0.000 1.211 370 R HN 0.736 nan 8.270 nan 0.000 0.456 371 H N 3.725 122.824 119.070 0.047 0.000 2.690 371 H HA -0.205 4.351 4.556 -0.000 0.000 0.309 371 H C -0.420 174.943 175.328 0.060 0.000 1.138 371 H CA 1.287 57.347 56.048 0.020 0.000 1.142 371 H CB -0.720 29.036 29.762 -0.010 0.000 1.410 371 H HN 0.703 nan 8.280 nan 0.000 0.409 372 K N -1.976 118.528 120.400 0.173 0.000 3.209 372 K HA -0.244 4.076 4.320 -0.000 0.000 0.289 372 K C -0.065 176.690 176.600 0.258 0.000 1.191 372 K CA 1.456 57.855 56.287 0.186 0.000 0.851 372 K CB -0.764 31.804 32.500 0.114 0.000 1.242 372 K HN 0.568 nan 8.250 nan 0.000 0.480 373 R N 0.108 120.767 120.500 0.265 0.000 2.807 373 R HA 0.499 4.839 4.340 -0.000 0.000 0.276 373 R C 0.239 176.570 176.300 0.051 0.000 0.979 373 R CA -1.039 55.172 56.100 0.186 0.000 0.928 373 R CB 1.374 31.735 30.300 0.102 0.000 1.191 373 R HN -0.012 nan 8.270 nan 0.000 0.471 374 I N 3.059 123.524 120.570 -0.176 0.000 2.581 374 I HA -0.084 4.086 4.170 -0.000 0.000 0.285 374 I C 1.268 177.269 176.117 -0.194 0.000 1.129 374 I CA 0.554 61.569 61.300 -0.475 0.000 1.397 374 I CB 0.656 38.386 38.000 -0.451 0.000 1.399 374 I HN 0.658 nan 8.210 nan 0.000 0.537 375 M N 4.799 124.307 119.600 -0.153 0.000 2.384 375 M HA 0.126 4.606 4.480 -0.000 0.000 0.258 375 M C 0.616 176.908 176.300 -0.014 0.000 1.130 375 M CA 1.385 56.663 55.300 -0.037 0.000 1.187 375 M CB 0.649 33.258 32.600 0.015 0.000 1.307 375 M HN 0.606 nan 8.290 nan 0.000 0.468 376 E N -0.250 119.979 120.200 0.049 0.000 2.372 376 E HA 0.366 4.716 4.350 -0.000 0.000 0.279 376 E C -1.825 174.911 176.600 0.227 0.000 0.946 376 E CA -0.535 55.941 56.400 0.128 0.000 0.769 376 E CB 2.812 32.578 29.700 0.110 0.000 1.230 376 E HN -0.013 nan 8.360 nan 0.000 0.442 377 V N 3.458 123.471 119.914 0.165 0.000 2.398 377 V HA 0.442 4.562 4.120 -0.000 0.000 0.286 377 V C -0.146 176.072 176.094 0.208 0.000 1.026 377 V CA -0.520 61.875 62.300 0.158 0.000 0.868 377 V CB 1.502 33.407 31.823 0.137 0.000 0.982 377 V HN 0.537 nan 8.190 nan 0.000 0.443 378 R N 4.555 125.197 120.500 0.238 0.000 2.272 378 R HA 0.362 4.702 4.340 -0.000 0.000 0.323 378 R C -0.328 176.039 176.300 0.112 0.000 1.002 378 R CA -0.206 56.029 56.100 0.225 0.000 0.900 378 R CB 0.441 30.979 30.300 0.397 0.000 1.151 378 R HN 0.853 nan 8.270 nan 0.000 0.507 379 N N 2.835 121.598 118.700 0.105 0.000 2.511 379 N HA 0.168 4.908 4.740 -0.000 0.000 0.249 379 N C 0.605 176.183 175.510 0.114 0.000 0.971 379 N CA -0.178 52.922 53.050 0.083 0.000 0.938 379 N CB 1.535 40.090 38.487 0.114 0.000 1.131 379 N HN 0.671 nan 8.380 nan 0.000 0.505 380 A N 4.290 127.186 122.820 0.127 0.000 2.019 380 A HA -0.028 4.292 4.320 -0.000 0.000 0.219 380 A C 0.986 178.683 177.584 0.189 0.000 1.164 380 A CA 0.924 53.064 52.037 0.173 0.000 0.644 380 A CB -0.555 18.592 19.000 0.245 0.000 0.805 380 A HN 0.765 nan 8.150 nan 0.000 0.449 381 I N 0.000 120.686 120.570 0.193 0.000 2.984 381 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 381 I CA 0.000 61.411 61.300 0.185 0.000 1.566 381 I CB 0.000 38.145 38.000 0.241 0.000 1.214 381 I HN 0.000 nan 8.210 nan 0.000 0.494