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 1l6f_1_B DATA FIRST_RESID 2 DATA SEQUENCE NDFHRDTWAE VDLDAIYDNV ENLRRLLPDD THIMAVVKAN AYGHGDVQVA DATA SEQUENCE RTALEAGASR LAVAFLDEAL ALREKGIEAP ILVLGASRPA DAALAAQQRI DATA SEQUENCE ALTVFRSDWL EEASALYSGP FPIHFHLXMD 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 GR 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 0.000 175.541 175.510 0.052 0.000 1.280 2 N CA 0.000 53.085 53.050 0.059 0.000 0.885 2 N CB 0.000 38.540 38.487 0.088 0.000 1.341 3 D N 0.826 121.243 120.400 0.028 0.000 2.581 3 D HA 0.634 5.274 4.640 -0.000 0.000 0.232 3 D C -1.485 174.771 176.300 -0.073 0.000 1.143 3 D CA -0.212 53.745 54.000 -0.072 0.000 0.881 3 D CB 1.408 42.093 40.800 -0.191 0.000 1.500 3 D HN 0.260 nan 8.370 nan 0.000 0.458 4 F N -0.621 119.105 119.950 -0.372 0.000 2.603 4 F HA 0.554 5.081 4.527 -0.000 0.000 0.317 4 F C -0.050 175.415 175.800 -0.559 0.000 1.066 4 F CA -0.695 57.088 58.000 -0.362 0.000 0.941 4 F CB 1.492 40.403 39.000 -0.148 0.000 1.291 4 F HN 0.271 nan 8.300 nan 0.000 0.472 5 H N 0.988 120.127 119.070 0.116 0.000 2.475 5 H HA 0.353 4.909 4.556 -0.000 0.000 0.276 5 H C -0.631 174.747 175.328 0.083 0.000 1.126 5 H CA -0.155 55.902 56.048 0.014 0.000 1.023 5 H CB 0.475 30.241 29.762 0.007 0.000 1.669 5 H HN 0.636 nan 8.280 nan 0.000 0.573 6 R N 1.050 121.714 120.500 0.274 0.000 2.564 6 R HA 0.129 4.469 4.340 -0.000 0.000 0.284 6 R C -1.194 175.320 176.300 0.356 0.000 1.031 6 R CA -0.578 55.667 56.100 0.243 0.000 0.904 6 R CB 1.302 31.715 30.300 0.188 0.000 1.199 6 R HN -0.067 nan 8.270 nan 0.000 0.443 7 D N 3.278 123.843 120.400 0.275 0.000 2.848 7 D HA 0.086 4.726 4.640 -0.000 0.000 0.232 7 D C -0.788 175.805 176.300 0.488 0.000 1.107 7 D CA 0.725 54.962 54.000 0.394 0.000 1.020 7 D CB 0.514 41.474 40.800 0.267 0.000 1.148 7 D HN 0.353 nan 8.370 nan 0.000 0.453 8 T N 0.891 115.737 114.554 0.488 0.000 2.991 8 T HA 0.495 4.845 4.350 -0.000 0.000 0.303 8 T C -0.971 173.859 174.700 0.218 0.000 1.015 8 T CA -0.897 61.333 62.100 0.216 0.000 1.007 8 T CB 1.266 70.136 68.868 0.003 0.000 1.034 8 T HN 0.352 nan 8.240 nan 0.000 0.446 9 W N 1.891 123.060 121.300 -0.218 0.000 3.275 9 W HA 0.807 5.467 4.660 -0.000 0.000 0.306 9 W C -1.625 174.729 176.519 -0.276 0.000 1.259 9 W CA -1.346 55.788 57.345 -0.351 0.000 1.194 9 W CB 0.491 29.653 29.460 -0.497 0.000 1.375 9 W HN 0.773 nan 8.180 nan 0.000 0.564 10 A N 1.680 124.326 122.820 -0.290 0.000 2.306 10 A HA 0.791 5.111 4.320 -0.000 0.000 0.330 10 A C -0.802 176.593 177.584 -0.315 0.000 1.146 10 A CA -0.770 50.947 52.037 -0.533 0.000 0.827 10 A CB 1.145 19.749 19.000 -0.661 0.000 1.178 10 A HN 0.669 nan 8.150 nan 0.000 0.490 11 E N 0.463 120.436 120.200 -0.378 0.000 2.210 11 E HA 0.507 4.857 4.350 -0.000 0.000 0.266 11 E C -1.558 174.925 176.600 -0.196 0.000 0.883 11 E CA -0.695 55.660 56.400 -0.074 0.000 0.761 11 E CB 2.320 32.127 29.700 0.178 0.000 1.156 11 E HN 0.318 nan 8.360 nan 0.000 0.412 12 V N 2.771 122.646 119.914 -0.065 0.000 2.350 12 V HA 0.105 4.225 4.120 -0.000 0.000 0.285 12 V C -0.483 175.779 176.094 0.280 0.000 1.014 12 V CA -0.786 61.572 62.300 0.096 0.000 0.831 12 V CB 1.523 33.416 31.823 0.116 0.000 1.000 12 V HN 0.628 nan 8.190 nan 0.000 0.433 13 D N 4.450 124.989 120.400 0.232 0.000 2.393 13 D HA 0.234 4.874 4.640 -0.000 0.000 0.232 13 D C 0.929 177.369 176.300 0.233 0.000 1.192 13 D CA -0.009 54.117 54.000 0.210 0.000 0.882 13 D CB 1.218 42.075 40.800 0.094 0.000 1.038 13 D HN 0.457 nan 8.370 nan 0.000 0.499 14 L N 2.563 123.939 121.223 0.256 0.000 2.376 14 L HA -0.060 4.280 4.340 -0.000 0.000 0.219 14 L C 1.426 178.375 176.870 0.132 0.000 1.133 14 L CA 0.455 55.417 54.840 0.204 0.000 0.816 14 L CB 0.056 42.227 42.059 0.187 0.000 0.933 14 L HN 0.293 nan 8.230 nan 0.000 0.449 15 D N 0.407 120.858 120.400 0.085 0.000 2.183 15 D HA -0.098 4.542 4.640 -0.000 0.000 0.203 15 D C 2.221 178.593 176.300 0.121 0.000 0.969 15 D CA 1.273 55.297 54.000 0.040 0.000 0.842 15 D CB 0.188 40.982 40.800 -0.010 0.000 0.957 15 D HN 0.288 nan 8.370 nan 0.000 0.484 16 A N 0.700 123.592 122.820 0.120 0.000 1.897 16 A HA -0.079 4.241 4.320 -0.000 0.000 0.215 16 A C 2.330 179.989 177.584 0.125 0.000 1.181 16 A CA 0.624 52.734 52.037 0.121 0.000 0.620 16 A CB -0.591 18.480 19.000 0.117 0.000 0.821 16 A HN 0.150 nan 8.150 nan 0.000 0.443 17 I N -1.926 118.717 120.570 0.122 0.000 2.226 17 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 17 I C 2.451 178.617 176.117 0.081 0.000 1.100 17 I CA 1.744 63.080 61.300 0.060 0.000 1.374 17 I CB -0.350 37.678 38.000 0.048 0.000 1.057 17 I HN 0.567 nan 8.210 nan 0.000 0.413 18 Y N 1.881 122.183 120.300 0.003 0.000 2.145 18 Y HA -0.327 4.223 4.550 -0.000 0.000 0.286 18 Y C 2.166 178.061 175.900 -0.008 0.000 1.145 18 Y CA 1.946 60.040 58.100 -0.009 0.000 1.148 18 Y CB -0.147 38.301 38.460 -0.020 0.000 0.981 18 Y HN 0.174 nan 8.280 nan 0.000 0.507 19 D N -0.149 120.393 120.400 0.237 0.000 2.117 19 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 19 D C 1.742 178.055 176.300 0.021 0.000 0.987 19 D CA 1.275 55.349 54.000 0.124 0.000 0.829 19 D CB -0.407 40.475 40.800 0.137 0.000 0.961 19 D HN 0.388 nan 8.370 nan 0.000 0.460 20 N N 0.030 118.787 118.700 0.095 0.000 2.166 20 N HA -0.100 4.640 4.740 -0.000 0.000 0.186 20 N C 1.905 177.524 175.510 0.181 0.000 1.019 20 N CA 0.479 53.655 53.050 0.211 0.000 0.856 20 N CB -0.294 38.311 38.487 0.196 0.000 0.993 20 N HN 0.117 nan 8.380 nan 0.000 0.426 21 V N 1.215 121.147 119.914 0.031 0.000 2.346 21 V HA -0.094 4.026 4.120 -0.000 0.000 0.244 21 V C 2.329 178.257 176.094 -0.277 0.000 1.037 21 V CA 1.155 63.394 62.300 -0.102 0.000 1.029 21 V CB -0.398 31.350 31.823 -0.125 0.000 0.663 21 V HN 0.299 nan 8.190 nan 0.000 0.454 22 E N 0.447 120.440 120.200 -0.345 0.000 2.118 22 E HA -0.263 4.087 4.350 -0.000 0.000 0.195 22 E C 2.001 178.408 176.600 -0.323 0.000 0.992 22 E CA 1.345 57.528 56.400 -0.361 0.000 0.804 22 E CB -0.066 29.399 29.700 -0.390 0.000 0.741 22 E HN 0.541 nan 8.360 nan 0.000 0.458 23 N N 0.654 119.111 118.700 -0.406 0.000 2.309 23 N HA -0.152 4.588 4.740 -0.000 0.000 0.182 23 N C 1.830 176.970 175.510 -0.616 0.000 1.018 23 N CA 0.544 53.194 53.050 -0.667 0.000 0.876 23 N CB -0.169 37.520 38.487 -1.331 0.000 0.972 23 N HN 0.202 nan 8.380 nan 0.000 0.434 24 L N 1.186 122.149 121.223 -0.432 0.000 2.095 24 L HA 0.023 4.363 4.340 -0.000 0.000 0.204 24 L C 2.331 179.042 176.870 -0.264 0.000 1.080 24 L CA 1.339 56.002 54.840 -0.295 0.000 0.759 24 L CB -0.417 41.310 42.059 -0.553 0.000 0.914 24 L HN -0.111 nan 8.230 nan 0.000 0.439 25 R N 0.055 120.390 120.500 -0.276 0.000 2.105 25 R HA -0.146 4.194 4.340 -0.000 0.000 0.239 25 R C 2.328 178.530 176.300 -0.164 0.000 1.135 25 R CA 1.780 57.755 56.100 -0.208 0.000 0.967 25 R CB -0.343 29.834 30.300 -0.205 0.000 0.861 25 R HN 0.367 nan 8.270 nan 0.000 0.442 26 R N -0.514 119.880 120.500 -0.177 0.000 2.090 26 R HA -0.058 4.282 4.340 -0.000 0.000 0.228 26 R C 2.212 178.447 176.300 -0.108 0.000 1.110 26 R CA 1.281 57.299 56.100 -0.136 0.000 0.973 26 R CB -0.482 29.728 30.300 -0.150 0.000 0.869 26 R HN 0.192 nan 8.270 nan 0.000 0.440 27 L N 1.044 122.197 121.223 -0.116 0.000 2.093 27 L HA -0.013 4.327 4.340 -0.000 0.000 0.208 27 L C 0.651 177.494 176.870 -0.045 0.000 1.085 27 L CA 1.392 56.197 54.840 -0.058 0.000 0.755 27 L CB -0.051 42.002 42.059 -0.010 0.000 0.904 27 L HN -0.004 nan 8.230 nan 0.000 0.435 28 L N 0.046 121.229 121.223 -0.066 0.000 2.439 28 L HA 0.299 4.639 4.340 -0.000 0.000 0.261 28 L C -1.902 174.939 176.870 -0.048 0.000 1.153 28 L CA -2.123 52.688 54.840 -0.048 0.000 0.808 28 L CB -0.244 41.778 42.059 -0.061 0.000 1.126 28 L HN -0.061 nan 8.230 nan 0.000 0.460 29 P HA 0.033 nan 4.420 nan 0.000 0.271 29 P C -0.096 177.169 177.300 -0.057 0.000 1.218 29 P CA -0.271 62.807 63.100 -0.036 0.000 0.780 29 P CB 0.488 32.176 31.700 -0.020 0.000 0.901 30 D N 1.173 121.538 120.400 -0.058 0.000 2.271 30 D HA -0.178 4.462 4.640 -0.000 0.000 0.207 30 D C 0.941 177.178 176.300 -0.104 0.000 0.983 30 D CA 1.332 55.288 54.000 -0.074 0.000 0.878 30 D CB -0.070 40.696 40.800 -0.056 0.000 0.920 30 D HN 0.610 nan 8.370 nan 0.000 0.479 31 D N -0.025 120.320 120.400 -0.092 0.000 2.350 31 D HA -0.053 4.587 4.640 -0.000 0.000 0.213 31 D C 0.240 176.435 176.300 -0.175 0.000 1.031 31 D CA 0.164 54.091 54.000 -0.121 0.000 0.861 31 D CB -0.059 40.710 40.800 -0.051 0.000 0.926 31 D HN -0.119 nan 8.370 nan 0.000 0.520 32 T N 1.777 116.257 114.554 -0.123 0.000 2.749 32 T HA 0.107 4.457 4.350 -0.000 0.000 0.295 32 T C 0.113 174.734 174.700 -0.131 0.000 0.936 32 T CA -0.344 61.713 62.100 -0.071 0.000 1.060 32 T CB 0.931 69.802 68.868 0.006 0.000 0.904 32 T HN 0.120 nan 8.240 nan 0.000 0.500 33 H N 2.347 121.423 119.070 0.009 0.000 2.615 33 H HA 0.348 4.904 4.556 -0.000 0.000 0.363 33 H C 0.094 175.403 175.328 -0.031 0.000 1.148 33 H CA -0.142 55.894 56.048 -0.020 0.000 1.401 33 H CB 0.996 30.743 29.762 -0.026 0.000 1.461 33 H HN 0.447 nan 8.280 nan 0.000 0.588 34 I N 3.051 123.666 120.570 0.076 0.000 2.389 34 I HA 0.153 4.323 4.170 -0.000 0.000 0.288 34 I C 0.070 176.196 176.117 0.014 0.000 0.999 34 I CA -0.348 60.956 61.300 0.007 0.000 1.129 34 I CB 1.461 39.413 38.000 -0.080 0.000 1.288 34 I HN 0.298 nan 8.210 nan 0.000 0.444 35 M N 6.955 126.565 119.600 0.016 0.000 2.066 35 M HA 0.584 5.064 4.480 -0.000 0.000 0.340 35 M C -0.454 175.861 176.300 0.025 0.000 1.053 35 M CA -0.399 54.887 55.300 -0.022 0.000 0.983 35 M CB 1.070 33.615 32.600 -0.092 0.000 1.520 35 M HN 0.662 nan 8.290 nan 0.000 0.428 36 A N 4.996 127.821 122.820 0.008 0.000 2.409 36 A HA 0.505 4.825 4.320 -0.000 0.000 0.267 36 A C -0.444 177.132 177.584 -0.012 0.000 1.127 36 A CA -0.561 51.482 52.037 0.011 0.000 0.795 36 A CB 0.187 19.173 19.000 -0.023 0.000 1.061 36 A HN 0.701 nan 8.150 nan 0.000 0.502 37 V N 4.402 124.307 119.914 -0.015 0.000 2.353 37 V HA 0.245 4.365 4.120 -0.000 0.000 0.264 37 V C 0.766 176.876 176.094 0.028 0.000 1.049 37 V CA 0.214 62.529 62.300 0.024 0.000 0.896 37 V CB 0.743 32.619 31.823 0.089 0.000 1.025 37 V HN 0.959 nan 8.190 nan 0.000 0.475 38 V N 2.415 122.370 119.914 0.068 0.000 2.915 38 V HA 0.335 4.455 4.120 -0.000 0.000 0.364 38 V C 0.630 176.806 176.094 0.137 0.000 1.354 38 V CA -0.693 61.676 62.300 0.114 0.000 1.213 38 V CB -0.569 31.293 31.823 0.065 0.000 1.268 38 V HN 0.821 nan 8.190 nan 0.000 0.557 39 K N 0.733 121.241 120.400 0.179 0.000 2.149 39 K HA 0.690 5.010 4.320 -0.000 0.000 0.245 39 K C 0.712 177.407 176.600 0.158 0.000 1.024 39 K CA 0.124 56.475 56.287 0.107 0.000 0.899 39 K CB 0.654 33.209 32.500 0.092 0.000 1.038 39 K HN 1.214 nan 8.250 nan 0.000 0.496 40 A N 1.379 124.240 122.820 0.070 0.000 2.739 40 A HA -0.239 4.081 4.320 -0.000 0.000 0.296 40 A C 0.388 178.039 177.584 0.111 0.000 1.488 40 A CA 1.047 53.132 52.037 0.081 0.000 0.746 40 A CB -2.479 16.538 19.000 0.028 0.000 1.047 40 A HN 1.058 nan 8.150 nan 0.000 0.477 41 N N -2.207 116.553 118.700 0.099 0.000 2.727 41 N HA 0.045 4.785 4.740 -0.000 0.000 0.249 41 N C 0.447 176.069 175.510 0.186 0.000 1.048 41 N CA 2.420 55.546 53.050 0.128 0.000 0.714 41 N CB -1.586 36.981 38.487 0.134 0.000 0.959 41 N HN 2.415 nan 8.380 nan 0.000 0.544 42 A N -0.134 122.810 122.820 0.206 0.000 2.734 42 A HA -0.194 4.126 4.320 -0.000 0.000 0.296 42 A C 0.568 178.243 177.584 0.152 0.000 1.474 42 A CA 1.034 53.220 52.037 0.247 0.000 0.735 42 A CB -2.372 16.803 19.000 0.292 0.000 1.062 42 A HN 1.256 nan 8.150 nan 0.000 0.463 43 Y N -2.715 117.499 120.300 -0.143 0.000 3.225 43 Y HA -0.137 4.413 4.550 0.000 0.000 0.211 43 Y C 1.959 177.792 175.900 -0.110 0.000 1.223 43 Y CA 1.939 59.885 58.100 -0.255 0.000 1.284 43 Y CB -1.898 36.124 38.460 -0.731 0.000 1.367 43 Y HN 2.419 nan 8.280 nan 0.000 0.566 44 G N -1.567 107.301 108.800 0.113 0.000 2.162 44 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.260 44 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.260 44 G C 0.561 175.519 174.900 0.097 0.000 0.976 44 G CA 0.708 45.828 45.100 0.034 0.000 0.655 44 G HN 0.649 nan 8.290 nan 0.000 0.533 45 H N -0.096 119.049 119.070 0.126 0.000 2.592 45 H HA 0.467 5.023 4.556 -0.000 0.000 0.265 45 H C 1.530 177.117 175.328 0.431 0.000 0.955 45 H CA 1.177 57.418 56.048 0.321 0.000 1.175 45 H CB 0.847 30.825 29.762 0.359 0.000 1.433 45 H HN 1.451 nan 8.280 nan 0.000 0.537 46 G N 1.609 110.679 108.800 0.449 0.000 3.199 46 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.680 46 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.680 46 G C 0.280 175.328 174.900 0.246 0.000 1.197 46 G CA -0.047 45.297 45.100 0.407 0.000 1.143 46 G HN 0.310 nan 8.290 nan 0.000 0.492 47 D N 1.570 122.068 120.400 0.163 0.000 2.108 47 D HA -0.183 4.457 4.640 -0.000 0.000 0.190 47 D C 2.317 178.645 176.300 0.046 0.000 0.995 47 D CA 1.925 55.986 54.000 0.101 0.000 0.834 47 D CB -0.522 40.316 40.800 0.063 0.000 0.967 47 D HN 0.995 nan 8.370 nan 0.000 0.446 48 V N 0.000 119.918 119.914 0.006 0.000 2.626 48 V HA -0.226 3.894 4.120 -0.000 0.000 0.252 48 V C 2.180 178.228 176.094 -0.077 0.000 1.067 48 V CA 1.900 64.179 62.300 -0.034 0.000 1.081 48 V CB -0.405 31.392 31.823 -0.044 0.000 0.686 48 V HN 0.063 nan 8.190 nan 0.000 0.468 49 Q N -0.465 119.248 119.800 -0.145 0.000 2.083 49 Q HA -0.068 4.272 4.340 -0.000 0.000 0.198 49 Q C 2.129 178.088 176.000 -0.068 0.000 0.969 49 Q CA 2.038 57.692 55.803 -0.248 0.000 0.838 49 Q CB -0.446 27.854 28.738 -0.730 0.000 0.900 49 Q HN 0.556 nan 8.270 nan 0.000 0.436 50 V N 0.549 120.484 119.914 0.035 0.000 2.453 50 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 50 V C 2.114 178.216 176.094 0.013 0.000 1.048 50 V CA 1.510 63.851 62.300 0.068 0.000 1.049 50 V CB -1.028 30.880 31.823 0.142 0.000 0.672 50 V HN 0.398 nan 8.190 nan 0.000 0.457 51 A N 0.216 123.040 122.820 0.007 0.000 1.883 51 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 51 A C 2.396 179.973 177.584 -0.012 0.000 1.186 51 A CA 1.853 53.884 52.037 -0.009 0.000 0.624 51 A CB -0.497 18.497 19.000 -0.011 0.000 0.822 51 A HN 0.475 nan 8.150 nan 0.000 0.444 52 R N -1.025 119.466 120.500 -0.014 0.000 2.073 52 R HA -0.097 4.243 4.340 -0.000 0.000 0.234 52 R C 2.281 178.594 176.300 0.021 0.000 1.134 52 R CA 1.868 57.965 56.100 -0.005 0.000 0.952 52 R CB -0.998 29.290 30.300 -0.020 0.000 0.850 52 R HN 0.561 nan 8.270 nan 0.000 0.433 53 T N 1.133 115.706 114.554 0.031 0.000 2.788 53 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 53 T C 1.969 176.706 174.700 0.062 0.000 1.044 53 T CA 1.359 63.511 62.100 0.087 0.000 1.139 53 T CB -0.205 68.721 68.868 0.097 0.000 0.867 53 T HN 0.370 nan 8.240 nan 0.000 0.454 54 A N 1.370 124.191 122.820 0.002 0.000 1.877 54 A HA 0.016 4.336 4.320 -0.000 0.000 0.216 54 A C 2.295 179.850 177.584 -0.049 0.000 1.186 54 A CA 1.219 53.230 52.037 -0.043 0.000 0.620 54 A CB -0.890 18.081 19.000 -0.049 0.000 0.822 54 A HN 0.465 nan 8.150 nan 0.000 0.443 55 L N -0.885 120.325 121.223 -0.022 0.000 2.083 55 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 55 L C 2.616 179.482 176.870 -0.006 0.000 1.083 55 L CA 1.682 56.511 54.840 -0.018 0.000 0.752 55 L CB -0.449 41.605 42.059 -0.008 0.000 0.899 55 L HN 0.526 nan 8.230 nan 0.000 0.433 56 E N 0.129 120.348 120.200 0.031 0.000 2.110 56 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 56 E C 2.103 178.737 176.600 0.057 0.000 0.988 56 E CA 1.066 57.523 56.400 0.096 0.000 0.804 56 E CB 0.033 29.848 29.700 0.191 0.000 0.745 56 E HN 0.491 nan 8.360 nan 0.000 0.458 57 A N -0.673 122.063 122.820 -0.140 0.000 2.169 57 A HA 0.192 4.512 4.320 -0.000 0.000 0.212 57 A C 1.617 179.009 177.584 -0.320 0.000 1.153 57 A CA 1.138 52.854 52.037 -0.534 0.000 0.756 57 A CB 0.234 18.722 19.000 -0.854 0.000 0.813 57 A HN 0.426 nan 8.150 nan 0.000 0.471 58 G N -2.673 106.024 108.800 -0.172 0.000 2.613 58 G HA2 0.286 4.246 3.960 -0.000 0.000 0.199 58 G HA3 0.286 4.246 3.960 -0.000 0.000 0.199 58 G C 0.384 175.227 174.900 -0.096 0.000 0.991 58 G CA 0.043 45.062 45.100 -0.134 0.000 0.756 58 G HN 1.199 nan 8.290 nan 0.000 0.515 59 A N 0.667 123.436 122.820 -0.086 0.000 2.366 59 A HA 0.730 5.050 4.320 -0.000 0.000 0.249 59 A C 1.420 178.992 177.584 -0.021 0.000 1.084 59 A CA 1.149 53.157 52.037 -0.049 0.000 0.794 59 A CB 0.669 19.644 19.000 -0.042 0.000 1.034 59 A HN 1.441 nan 8.150 nan 0.000 0.491 60 S N 0.090 115.793 115.700 0.005 0.000 2.649 60 S HA 0.345 4.815 4.470 -0.000 0.000 0.246 60 S C 0.558 175.142 174.600 -0.027 0.000 1.057 60 S CA -0.325 57.885 58.200 0.016 0.000 1.051 60 S CB 0.249 63.512 63.200 0.106 0.000 1.018 60 S HN 0.727 nan 8.310 nan 0.000 0.569 61 R N -0.167 120.304 120.500 -0.048 0.000 2.817 61 R HA 0.789 5.129 4.340 -0.000 0.000 0.268 61 R C -1.743 174.511 176.300 -0.077 0.000 1.027 61 R CA -0.742 55.306 56.100 -0.086 0.000 0.928 61 R CB 1.473 31.687 30.300 -0.143 0.000 1.228 61 R HN 0.113 nan 8.270 nan 0.000 0.469 62 L N 0.259 121.429 121.223 -0.089 0.000 2.350 62 L HA 0.899 5.239 4.340 -0.000 0.000 0.260 62 L C -0.879 175.935 176.870 -0.094 0.000 1.015 62 L CA -1.087 53.709 54.840 -0.073 0.000 0.821 62 L CB 2.271 44.297 42.059 -0.056 0.000 1.370 62 L HN 0.706 nan 8.230 nan 0.000 0.416 63 A N 1.245 124.025 122.820 -0.067 0.000 2.393 63 A HA 0.890 5.210 4.320 -0.000 0.000 0.306 63 A C -0.866 176.697 177.584 -0.035 0.000 1.050 63 A CA -0.575 51.419 52.037 -0.071 0.000 0.724 63 A CB 1.890 20.850 19.000 -0.067 0.000 1.248 63 A HN 0.584 nan 8.150 nan 0.000 0.424 64 V N -1.358 118.526 119.914 -0.051 0.000 3.141 64 V HA 0.903 5.023 4.120 -0.000 0.000 0.312 64 V C 0.853 176.920 176.094 -0.045 0.000 1.157 64 V CA -0.048 62.215 62.300 -0.062 0.000 1.041 64 V CB 1.179 32.924 31.823 -0.130 0.000 1.071 64 V HN 1.540 nan 8.190 nan 0.000 0.441 65 A N 1.012 123.792 122.820 -0.067 0.000 1.903 65 A HA 0.545 4.865 4.320 -0.000 0.000 0.213 65 A C 0.683 178.380 177.584 0.188 0.000 1.185 65 A CA 1.668 53.748 52.037 0.071 0.000 0.628 65 A CB -0.432 18.681 19.000 0.187 0.000 0.830 65 A HN 1.545 nan 8.150 nan 0.000 0.446 66 F N -5.650 114.318 119.950 0.030 0.000 2.662 66 F HA 0.612 5.139 4.527 0.000 0.000 0.312 66 F C 0.268 176.086 175.800 0.031 0.000 1.113 66 F CA -1.332 56.689 58.000 0.035 0.000 0.951 66 F CB 0.428 39.450 39.000 0.037 0.000 1.344 66 F HN -0.091 nan 8.300 nan 0.000 0.462 67 L N 1.732 123.088 121.223 0.221 0.000 2.010 67 L HA -0.223 4.117 4.340 -0.000 0.000 0.219 67 L C 1.504 178.402 176.870 0.046 0.000 1.077 67 L CA 2.413 57.318 54.840 0.109 0.000 0.773 67 L CB -1.185 40.958 42.059 0.140 0.000 0.892 67 L HN 0.855 nan 8.230 nan 0.000 0.436 68 D N -0.967 119.531 120.400 0.162 0.000 2.158 68 D HA -0.228 4.412 4.640 -0.000 0.000 0.197 68 D C 2.028 178.263 176.300 -0.108 0.000 0.995 68 D CA 1.681 55.734 54.000 0.089 0.000 0.846 68 D CB -0.105 40.884 40.800 0.316 0.000 0.941 68 D HN 0.547 nan 8.370 nan 0.000 0.456 69 E N 0.038 120.001 120.200 -0.395 0.000 2.150 69 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 69 E C 2.102 178.593 176.600 -0.182 0.000 0.985 69 E CA 0.802 56.991 56.400 -0.353 0.000 0.814 69 E CB -0.034 29.326 29.700 -0.567 0.000 0.752 69 E HN 0.306 nan 8.360 nan 0.000 0.466 70 A N 1.001 123.731 122.820 -0.150 0.000 1.897 70 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 70 A C 2.144 179.690 177.584 -0.062 0.000 1.181 70 A CA 0.737 52.719 52.037 -0.091 0.000 0.620 70 A CB -0.496 18.459 19.000 -0.074 0.000 0.821 70 A HN 0.110 nan 8.150 nan 0.000 0.443 71 L N -0.549 120.646 121.223 -0.048 0.000 2.131 71 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 71 L C 2.993 179.848 176.870 -0.026 0.000 1.092 71 L CA 0.968 55.790 54.840 -0.030 0.000 0.759 71 L CB -0.487 41.565 42.059 -0.011 0.000 0.903 71 L HN 0.427 nan 8.230 nan 0.000 0.435 72 A N -0.051 122.751 122.820 -0.030 0.000 1.969 72 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 72 A C 2.268 179.840 177.584 -0.021 0.000 1.169 72 A CA 1.230 53.256 52.037 -0.019 0.000 0.635 72 A CB -0.519 18.470 19.000 -0.019 0.000 0.810 72 A HN 0.353 nan 8.150 nan 0.000 0.445 73 L N -1.169 120.034 121.223 -0.033 0.000 2.072 73 L HA -0.131 4.209 4.340 -0.000 0.000 0.205 73 L C 2.866 179.719 176.870 -0.027 0.000 1.079 73 L CA 0.811 55.633 54.840 -0.029 0.000 0.752 73 L CB -0.390 41.647 42.059 -0.038 0.000 0.906 73 L HN 0.272 nan 8.230 nan 0.000 0.436 74 R N 0.370 120.852 120.500 -0.030 0.000 2.073 74 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 74 R C 2.021 178.308 176.300 -0.020 0.000 1.134 74 R CA 1.293 57.376 56.100 -0.028 0.000 0.952 74 R CB -0.565 29.714 30.300 -0.035 0.000 0.850 74 R HN 0.501 nan 8.270 nan 0.000 0.433 75 E N 0.611 120.801 120.200 -0.016 0.000 2.153 75 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 75 E C 1.426 178.022 176.600 -0.007 0.000 0.988 75 E CA 0.960 57.354 56.400 -0.009 0.000 0.811 75 E CB -0.042 29.656 29.700 -0.003 0.000 0.746 75 E HN 0.299 nan 8.360 nan 0.000 0.466 76 K N -0.499 119.896 120.400 -0.009 0.000 2.505 76 K HA 0.049 4.369 4.320 -0.000 0.000 0.192 76 K C 0.856 177.448 176.600 -0.014 0.000 1.025 76 K CA 0.418 56.699 56.287 -0.010 0.000 1.086 76 K CB 0.600 33.093 32.500 -0.011 0.000 0.840 76 K HN 0.247 nan 8.250 nan 0.000 0.514 77 G N 1.215 110.007 108.800 -0.014 0.000 2.175 77 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.244 77 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.244 77 G C 0.095 174.985 174.900 -0.016 0.000 0.982 77 G CA -0.496 44.596 45.100 -0.013 0.000 0.641 77 G HN 0.149 nan 8.290 nan 0.000 0.527 78 I N 1.059 121.617 120.570 -0.020 0.000 2.471 78 I HA 0.265 4.435 4.170 -0.000 0.000 0.286 78 I C 1.162 177.265 176.117 -0.024 0.000 1.079 78 I CA 0.376 61.663 61.300 -0.022 0.000 1.398 78 I CB 1.178 39.162 38.000 -0.027 0.000 1.403 78 I HN 0.263 nan 8.210 nan 0.000 0.530 79 E N 3.518 123.705 120.200 -0.021 0.000 2.526 79 E HA 0.247 4.597 4.350 -0.000 0.000 0.208 79 E C 0.563 177.148 176.600 -0.026 0.000 0.997 79 E CA -0.199 56.188 56.400 -0.021 0.000 0.961 79 E CB 0.861 30.553 29.700 -0.012 0.000 1.030 79 E HN 0.787 nan 8.360 nan 0.000 0.483 80 A N 2.030 124.831 122.820 -0.031 0.000 2.327 80 A HA 0.360 4.680 4.320 -0.000 0.000 0.255 80 A C -2.315 175.236 177.584 -0.055 0.000 1.099 80 A CA -1.109 50.905 52.037 -0.039 0.000 0.801 80 A CB -0.171 18.806 19.000 -0.038 0.000 1.062 80 A HN -0.086 nan 8.150 nan 0.000 0.496 81 P HA 0.429 nan 4.420 nan 0.000 0.271 81 P C -0.960 176.280 177.300 -0.100 0.000 1.218 81 P CA 0.331 63.376 63.100 -0.093 0.000 0.780 81 P CB 0.445 32.073 31.700 -0.120 0.000 0.901 82 I N 2.336 122.844 120.570 -0.103 0.000 2.533 82 I HA 0.359 4.529 4.170 -0.000 0.000 0.290 82 I C -0.712 175.326 176.117 -0.132 0.000 1.056 82 I CA -1.054 60.182 61.300 -0.108 0.000 1.057 82 I CB 2.062 40.012 38.000 -0.083 0.000 1.240 82 I HN 0.157 nan 8.210 nan 0.000 0.423 83 L N 7.588 128.711 121.223 -0.167 0.000 2.322 83 L HA 0.588 4.928 4.340 -0.000 0.000 0.281 83 L C -0.927 175.867 176.870 -0.126 0.000 1.014 83 L CA -0.399 54.319 54.840 -0.204 0.000 0.815 83 L CB 1.816 43.642 42.059 -0.388 0.000 1.247 83 L HN 0.313 nan 8.230 nan 0.000 0.421 84 V N 7.018 126.889 119.914 -0.071 0.000 2.408 84 V HA 0.148 4.268 4.120 -0.000 0.000 0.267 84 V C 1.184 177.292 176.094 0.024 0.000 1.047 84 V CA -0.126 62.166 62.300 -0.012 0.000 0.937 84 V CB 1.075 32.916 31.823 0.029 0.000 0.999 84 V HN 0.843 nan 8.190 nan 0.000 0.472 85 L N 4.224 125.470 121.223 0.037 0.000 2.341 85 L HA 0.231 4.571 4.340 -0.000 0.000 0.214 85 L C 1.571 178.514 176.870 0.121 0.000 1.115 85 L CA 0.860 55.755 54.840 0.092 0.000 0.820 85 L CB -0.336 41.757 42.059 0.057 0.000 0.944 85 L HN 0.765 nan 8.230 nan 0.000 0.452 86 G N -0.565 108.306 108.800 0.119 0.000 2.583 86 G HA2 0.625 4.585 3.960 -0.000 0.000 0.280 86 G HA3 0.625 4.585 3.960 -0.000 0.000 0.280 86 G C -0.470 174.533 174.900 0.171 0.000 1.376 86 G CA -0.003 45.175 45.100 0.130 0.000 1.043 86 G HN 0.161 nan 8.290 nan 0.000 0.538 87 A N -0.941 121.993 122.820 0.190 0.000 2.296 87 A HA 0.713 5.033 4.320 -0.000 0.000 0.264 87 A C 0.560 178.250 177.584 0.177 0.000 1.097 87 A CA 0.540 52.702 52.037 0.208 0.000 0.811 87 A CB 0.398 19.552 19.000 0.256 0.000 1.072 87 A HN 1.917 nan 8.150 nan 0.000 0.495 88 S N -0.384 115.438 115.700 0.203 0.000 2.625 88 S HA 0.660 5.130 4.470 -0.000 0.000 0.271 88 S C -0.923 173.949 174.600 0.454 0.000 1.161 88 S CA -1.078 57.291 58.200 0.282 0.000 0.820 88 S CB 1.010 64.376 63.200 0.277 0.000 1.137 88 S HN 0.758 nan 8.310 nan 0.000 0.470 89 R N 0.614 121.303 120.500 0.314 0.000 2.349 89 R HA 0.399 4.739 4.340 -0.000 0.000 0.299 89 R C -2.129 174.192 176.300 0.034 0.000 1.027 89 R CA -2.075 54.140 56.100 0.191 0.000 0.958 89 R CB 0.225 30.571 30.300 0.077 0.000 1.047 89 R HN 0.397 nan 8.270 nan 0.000 0.468 90 P HA -0.211 nan 4.420 nan 0.000 0.216 90 P C 0.888 177.974 177.300 -0.357 0.000 1.150 90 P CA 1.381 63.957 63.100 -0.874 0.000 0.843 90 P CB 0.163 31.292 31.700 -0.952 0.000 0.787 91 A N -0.744 121.965 122.820 -0.184 0.000 2.172 91 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 91 A C 1.524 179.086 177.584 -0.036 0.000 1.154 91 A CA 1.503 53.492 52.037 -0.081 0.000 0.701 91 A CB -0.952 18.020 19.000 -0.046 0.000 0.789 91 A HN 0.071 nan 8.150 nan 0.000 0.465 92 D N -0.929 119.459 120.400 -0.019 0.000 2.363 92 D HA 0.345 4.985 4.640 -0.000 0.000 0.214 92 D C 1.830 178.126 176.300 -0.006 0.000 1.093 92 D CA 0.729 54.737 54.000 0.014 0.000 0.837 92 D CB 0.244 41.083 40.800 0.064 0.000 0.948 92 D HN 0.362 nan 8.370 nan 0.000 0.507 93 A N 1.018 123.813 122.820 -0.042 0.000 1.902 93 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 93 A C 2.291 179.676 177.584 -0.333 0.000 1.181 93 A CA 1.908 53.882 52.037 -0.104 0.000 0.623 93 A CB -0.518 18.426 19.000 -0.093 0.000 0.818 93 A HN 0.235 nan 8.150 nan 0.000 0.443 94 A N -0.556 122.059 122.820 -0.343 0.000 1.908 94 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 94 A C 2.144 179.623 177.584 -0.176 0.000 1.181 94 A CA 1.805 53.639 52.037 -0.339 0.000 0.627 94 A CB -0.597 18.442 19.000 0.065 0.000 0.818 94 A HN 0.753 nan 8.150 nan 0.000 0.445 95 L N -0.427 120.731 121.223 -0.108 0.000 2.056 95 L HA 0.008 4.348 4.340 -0.000 0.000 0.207 95 L C 2.610 179.409 176.870 -0.118 0.000 1.078 95 L CA 2.162 56.949 54.840 -0.088 0.000 0.749 95 L CB -0.742 41.294 42.059 -0.038 0.000 0.901 95 L HN 0.315 nan 8.230 nan 0.000 0.433 96 A N -0.446 122.308 122.820 -0.110 0.000 1.898 96 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 96 A C 2.454 179.949 177.584 -0.150 0.000 1.181 96 A CA 1.609 53.585 52.037 -0.101 0.000 0.620 96 A CB -1.134 17.830 19.000 -0.061 0.000 0.819 96 A HN 0.568 nan 8.150 nan 0.000 0.442 97 A N -0.705 121.987 122.820 -0.213 0.000 1.883 97 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 97 A C 2.218 179.639 177.584 -0.271 0.000 1.186 97 A CA 1.884 53.809 52.037 -0.187 0.000 0.624 97 A CB -0.669 18.196 19.000 -0.225 0.000 0.822 97 A HN 0.644 nan 8.150 nan 0.000 0.444 98 Q N -1.146 118.390 119.800 -0.439 0.000 2.124 98 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 98 Q C 1.586 177.316 176.000 -0.450 0.000 0.977 98 Q CA 1.446 56.778 55.803 -0.786 0.000 0.850 98 Q CB -0.057 28.335 28.738 -0.577 0.000 0.901 98 Q HN 0.640 nan 8.270 nan 0.000 0.429 99 Q N 0.071 119.722 119.800 -0.249 0.000 2.403 99 Q HA 0.065 4.405 4.340 -0.000 0.000 0.203 99 Q C -0.400 175.534 176.000 -0.110 0.000 0.932 99 Q CA 0.188 55.901 55.803 -0.152 0.000 0.945 99 Q CB 0.463 29.139 28.738 -0.104 0.000 1.045 99 Q HN 0.347 nan 8.270 nan 0.000 0.511 100 R N 0.317 120.751 120.500 -0.109 0.000 3.201 100 R HA -0.152 4.188 4.340 -0.000 0.000 0.254 100 R C -0.807 175.467 176.300 -0.044 0.000 0.978 100 R CA 0.289 56.364 56.100 -0.042 0.000 0.661 100 R CB -2.403 27.883 30.300 -0.023 0.000 1.170 100 R HN 0.188 nan 8.270 nan 0.000 0.430 101 I N 0.614 121.151 120.570 -0.054 0.000 2.406 101 I HA 0.461 4.631 4.170 -0.000 0.000 0.290 101 I C 0.765 176.853 176.117 -0.050 0.000 0.999 101 I CA -0.711 60.556 61.300 -0.056 0.000 1.124 101 I CB 1.877 39.844 38.000 -0.055 0.000 1.289 101 I HN 0.283 nan 8.210 nan 0.000 0.441 102 A N 7.687 130.479 122.820 -0.048 0.000 2.354 102 A HA 0.744 5.064 4.320 -0.000 0.000 0.269 102 A C -0.505 177.068 177.584 -0.019 0.000 1.109 102 A CA -0.196 51.830 52.037 -0.018 0.000 0.800 102 A CB 0.371 19.367 19.000 -0.006 0.000 1.045 102 A HN 0.697 nan 8.150 nan 0.000 0.489 103 L N 1.397 122.636 121.223 0.027 0.000 2.342 103 L HA 0.442 4.782 4.340 -0.000 0.000 0.271 103 L C 0.327 177.304 176.870 0.179 0.000 1.008 103 L CA -0.635 54.257 54.840 0.087 0.000 0.818 103 L CB 2.142 44.269 42.059 0.113 0.000 1.296 103 L HN 0.650 nan 8.230 nan 0.000 0.427 104 T N 1.713 116.337 114.554 0.116 0.000 2.897 104 T HA 0.408 4.758 4.350 -0.000 0.000 0.294 104 T C -0.558 174.100 174.700 -0.069 0.000 1.004 104 T CA -0.139 62.069 62.100 0.181 0.000 1.106 104 T CB 1.693 70.717 68.868 0.260 0.000 0.949 104 T HN 0.310 nan 8.240 nan 0.000 0.520 105 V N 4.938 124.790 119.914 -0.103 0.000 2.925 105 V HA 0.752 4.872 4.120 -0.000 0.000 0.311 105 V C -1.210 174.733 176.094 -0.251 0.000 1.104 105 V CA -0.796 61.195 62.300 -0.516 0.000 0.954 105 V CB 1.653 33.077 31.823 -0.665 0.000 1.022 105 V HN 0.939 nan 8.190 nan 0.000 0.427 106 F N 3.188 122.974 119.950 -0.273 0.000 3.110 106 F HA 0.610 5.137 4.527 -0.000 0.000 0.342 106 F C 0.015 175.751 175.800 -0.107 0.000 1.251 106 F CA -0.710 57.193 58.000 -0.162 0.000 0.987 106 F CB 0.032 38.941 39.000 -0.151 0.000 1.472 106 F HN 0.301 nan 8.300 nan 0.000 0.501 107 R N 0.564 120.841 120.500 -0.371 0.000 2.651 107 R HA 0.437 4.777 4.340 -0.000 0.000 0.278 107 R C 0.665 176.911 176.300 -0.091 0.000 1.010 107 R CA 0.026 56.038 56.100 -0.145 0.000 0.896 107 R CB 2.071 32.285 30.300 -0.143 0.000 1.211 107 R HN 0.159 nan 8.270 nan 0.000 0.456 108 S N 0.125 115.815 115.700 -0.018 0.000 2.436 108 S HA -0.133 4.337 4.470 -0.000 0.000 0.228 108 S C 1.228 175.854 174.600 0.043 0.000 1.014 108 S CA 1.250 59.454 58.200 0.007 0.000 0.950 108 S CB -0.092 63.114 63.200 0.011 0.000 0.784 108 S HN 0.744 nan 8.310 nan 0.000 0.504 109 D N 0.406 120.835 120.400 0.048 0.000 2.219 109 D HA -0.152 4.488 4.640 -0.000 0.000 0.205 109 D C 1.531 177.878 176.300 0.079 0.000 0.970 109 D CA 0.559 54.591 54.000 0.054 0.000 0.851 109 D CB -1.007 39.820 40.800 0.045 0.000 0.943 109 D HN 0.649 nan 8.370 nan 0.000 0.488 110 W N 1.089 122.315 121.300 -0.123 0.000 2.379 110 W HA 0.019 4.679 4.660 -0.000 0.000 0.307 110 W C 2.037 178.483 176.519 -0.122 0.000 1.200 110 W CA 1.077 58.334 57.345 -0.147 0.000 1.297 110 W CB -0.224 29.075 29.460 -0.269 0.000 1.140 110 W HN -0.086 nan 8.180 nan 0.000 0.507 111 L N 0.440 121.840 121.223 0.294 0.000 2.131 111 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 111 L C 2.333 179.294 176.870 0.152 0.000 1.092 111 L CA 1.602 56.561 54.840 0.198 0.000 0.759 111 L CB -0.680 41.428 42.059 0.082 0.000 0.903 111 L HN 0.039 nan 8.230 nan 0.000 0.435 112 E N -0.394 119.860 120.200 0.090 0.000 2.106 112 E HA -0.258 4.092 4.350 -0.000 0.000 0.192 112 E C 2.067 178.686 176.600 0.032 0.000 0.984 112 E CA 1.086 57.528 56.400 0.071 0.000 0.806 112 E CB 0.077 29.803 29.700 0.043 0.000 0.750 112 E HN 0.421 nan 8.360 nan 0.000 0.458 113 E N 0.108 120.281 120.200 -0.045 0.000 2.072 113 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 113 E C 2.008 178.530 176.600 -0.130 0.000 0.982 113 E CA 0.819 57.150 56.400 -0.115 0.000 0.803 113 E CB -0.017 29.554 29.700 -0.216 0.000 0.755 113 E HN 0.217 nan 8.360 nan 0.000 0.453 114 A N 0.362 123.054 122.820 -0.214 0.000 1.933 114 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 114 A C 2.329 180.063 177.584 0.249 0.000 1.175 114 A CA 1.617 53.590 52.037 -0.107 0.000 0.628 114 A CB -0.484 18.346 19.000 -0.283 0.000 0.814 114 A HN 0.210 nan 8.150 nan 0.000 0.444 115 S N -0.285 115.599 115.700 0.306 0.000 2.370 115 S HA -0.076 4.394 4.470 -0.000 0.000 0.226 115 S C 2.190 176.897 174.600 0.179 0.000 1.033 115 S CA 1.221 59.575 58.200 0.258 0.000 1.011 115 S CB -0.372 62.972 63.200 0.241 0.000 0.852 115 S HN 0.797 nan 8.310 nan 0.000 0.457 116 A N 0.358 123.244 122.820 0.110 0.000 2.119 116 A HA 0.169 4.489 4.320 -0.000 0.000 0.217 116 A C 1.904 179.530 177.584 0.071 0.000 1.153 116 A CA 0.773 52.850 52.037 0.066 0.000 0.692 116 A CB -0.319 18.700 19.000 0.031 0.000 0.799 116 A HN 0.474 nan 8.150 nan 0.000 0.458 117 L N -3.115 118.166 121.223 0.098 0.000 2.316 117 L HA 0.212 4.552 4.340 -0.000 0.000 0.207 117 L C 0.826 177.818 176.870 0.203 0.000 1.070 117 L CA 0.222 55.126 54.840 0.107 0.000 0.820 117 L CB -0.019 42.075 42.059 0.057 0.000 0.992 117 L HN 0.482 nan 8.230 nan 0.000 0.466 118 Y N 0.069 120.433 120.300 0.107 0.000 2.387 118 Y HA 0.284 4.834 4.550 0.000 0.000 0.336 118 Y C 0.255 176.277 175.900 0.202 0.000 1.067 118 Y CA -0.618 57.563 58.100 0.136 0.000 1.114 118 Y CB 1.558 40.129 38.460 0.185 0.000 1.208 118 Y HN -0.044 nan 8.280 nan 0.000 0.458 119 S N 2.833 118.259 115.700 -0.458 0.000 2.828 119 S HA 0.587 5.057 4.470 -0.000 0.000 0.240 119 S C -0.010 174.224 174.600 -0.610 0.000 0.912 119 S CA -0.188 57.849 58.200 -0.272 0.000 1.100 119 S CB 0.043 63.170 63.200 -0.122 0.000 1.271 119 S HN 1.548 nan 8.310 nan 0.000 0.476 120 G N 3.005 110.935 108.800 -1.451 0.000 2.685 120 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.387 120 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.387 120 G C -2.364 172.092 174.900 -0.740 0.000 1.324 120 G CA -0.203 43.956 45.100 -1.567 0.000 0.878 120 G HN 0.297 nan 8.290 nan 0.000 0.527 121 P HA 0.249 nan 4.420 nan 0.000 0.245 121 P C 0.385 177.436 177.300 -0.416 0.000 1.203 121 P CA 0.344 63.109 63.100 -0.558 0.000 0.792 121 P CB 0.109 31.521 31.700 -0.479 0.000 0.997 122 F N 3.352 123.302 119.950 0.000 0.000 2.412 122 F HA 0.342 4.869 4.527 0.000 0.000 0.348 122 F C -1.647 174.292 175.800 0.232 0.000 1.102 122 F CA -2.665 55.420 58.000 0.141 0.000 1.196 122 F CB -0.147 38.951 39.000 0.163 0.000 1.144 122 F HN -0.124 nan 8.300 nan 0.000 0.541 123 P HA 0.324 nan 4.420 nan 0.000 0.282 123 P C -0.682 176.650 177.300 0.054 0.000 1.249 123 P CA -0.203 63.045 63.100 0.247 0.000 0.806 123 P CB 1.479 33.234 31.700 0.092 0.000 0.984 124 I N 2.811 123.351 120.570 -0.050 0.000 2.362 124 I HA 0.266 4.436 4.170 -0.000 0.000 0.289 124 I C 0.229 175.942 176.117 -0.673 0.000 0.994 124 I CA -0.769 60.306 61.300 -0.376 0.000 1.158 124 I CB 0.684 38.359 38.000 -0.543 0.000 1.315 124 I HN 0.343 nan 8.210 nan 0.000 0.451 125 H N 5.853 124.706 119.070 -0.362 0.000 2.604 125 H HA 0.432 4.988 4.556 -0.000 0.000 0.306 125 H C -0.938 174.211 175.328 -0.299 0.000 1.075 125 H CA 0.012 55.924 56.048 -0.227 0.000 1.357 125 H CB 0.712 30.450 29.762 -0.040 0.000 1.426 125 H HN 0.294 nan 8.280 nan 0.000 0.470 126 F N 1.554 121.584 119.950 0.134 0.000 2.458 126 F HA 0.311 4.838 4.527 -0.000 0.000 0.330 126 F C 0.521 176.408 175.800 0.144 0.000 1.082 126 F CA -0.549 57.505 58.000 0.090 0.000 0.995 126 F CB 1.221 40.193 39.000 -0.048 0.000 1.170 126 F HN 0.514 nan 8.300 nan 0.000 0.478 127 H N 3.244 122.491 119.070 0.295 0.000 2.646 127 H HA 0.297 4.853 4.556 -0.000 0.000 0.328 127 H C -0.622 174.873 175.328 0.278 0.000 0.998 127 H CA -0.821 55.403 56.048 0.293 0.000 1.225 127 H CB 2.242 32.187 29.762 0.305 0.000 1.457 127 H HN 0.457 nan 8.280 nan 0.000 0.505 131 D N 2.290 122.618 120.400 -0.121 0.000 2.339 131 D HA 0.289 4.929 4.640 -0.000 0.000 0.241 131 D C 0.736 176.995 176.300 -0.068 0.000 1.183 131 D CA 0.369 54.304 54.000 -0.108 0.000 0.859 131 D CB 1.157 41.920 40.800 -0.062 0.000 1.067 131 D HN 0.707 nan 8.370 nan 0.000 0.484 132 T N 0.347 114.835 114.554 -0.110 0.000 3.129 132 T HA 0.436 4.786 4.350 -0.000 0.000 0.267 132 T C 1.118 175.815 174.700 -0.004 0.000 1.018 132 T CA 0.129 62.164 62.100 -0.108 0.000 0.903 132 T CB 0.431 69.170 68.868 -0.215 0.000 1.067 132 T HN 0.457 nan 8.240 nan 0.000 0.549 133 G N 1.101 109.959 108.800 0.096 0.000 2.870 133 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.216 133 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.216 133 G C 0.456 175.537 174.900 0.302 0.000 0.973 133 G CA 0.178 45.444 45.100 0.278 0.000 0.807 133 G HN 0.362 nan 8.290 nan 0.000 0.573 134 M N 1.127 120.821 119.600 0.156 0.000 2.435 134 M HA 0.446 4.926 4.480 -0.000 0.000 0.265 134 M C 1.972 178.318 176.300 0.076 0.000 1.104 134 M CA 2.241 57.622 55.300 0.135 0.000 1.140 134 M CB 0.031 32.687 32.600 0.094 0.000 1.372 134 M HN 1.356 nan 8.290 nan 0.000 0.456 135 G N 0.712 109.539 108.800 0.044 0.000 2.155 135 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.257 135 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.257 135 G C 0.953 175.832 174.900 -0.036 0.000 0.983 135 G CA 0.894 46.000 45.100 0.011 0.000 0.676 135 G HN 0.539 nan 8.290 nan 0.000 0.528 136 R N -0.921 119.541 120.500 -0.063 0.000 2.023 136 R HA 0.621 4.961 4.340 -0.000 0.000 0.217 136 R C 0.964 177.135 176.300 -0.216 0.000 1.255 136 R CA 0.642 56.675 56.100 -0.111 0.000 0.981 136 R CB 0.031 30.275 30.300 -0.093 0.000 0.853 136 R HN 0.353 nan 8.270 nan 0.000 0.463 137 L N -0.782 120.257 121.223 -0.306 0.000 2.309 137 L HA 0.596 4.936 4.340 -0.000 0.000 0.261 137 L C -0.528 176.060 176.870 -0.470 0.000 1.021 137 L CA -0.561 53.930 54.840 -0.581 0.000 0.823 137 L CB 2.284 43.889 42.059 -0.756 0.000 1.366 137 L HN 0.725 nan 8.230 nan 0.000 0.423 138 G N 0.252 108.736 108.800 -0.527 0.000 2.484 138 G HA2 0.006 3.966 3.960 -0.000 0.000 0.685 138 G HA3 0.006 3.966 3.960 -0.000 0.000 0.685 138 G C -1.480 173.414 174.900 -0.010 0.000 1.294 138 G CA -0.580 44.411 45.100 -0.182 0.000 0.879 138 G HN 0.474 nan 8.290 nan 0.000 0.646 139 V N 1.286 121.237 119.914 0.062 0.000 3.051 139 V HA 0.594 4.714 4.120 -0.000 0.000 0.306 139 V C 1.095 177.259 176.094 0.117 0.000 1.083 139 V CA 0.775 63.139 62.300 0.106 0.000 1.104 139 V CB 1.434 33.331 31.823 0.124 0.000 1.027 139 V HN 0.856 nan 8.190 nan 0.000 0.483 140 K N 1.840 122.325 120.400 0.142 0.000 2.462 140 K HA 0.208 4.528 4.320 -0.000 0.000 0.201 140 K C -0.037 176.720 176.600 0.261 0.000 1.268 140 K CA 0.045 56.439 56.287 0.179 0.000 0.933 140 K CB 0.454 33.021 32.500 0.111 0.000 1.162 140 K HN 0.917 nan 8.250 nan 0.000 0.527 141 D N 0.478 120.948 120.400 0.117 0.000 2.299 141 D HA 0.035 4.675 4.640 -0.000 0.000 0.243 141 D C 0.498 176.554 176.300 -0.406 0.000 0.982 141 D CA -0.344 53.594 54.000 -0.103 0.000 0.924 141 D CB 2.203 42.939 40.800 -0.106 0.000 1.238 141 D HN -0.014 nan 8.370 nan 0.000 0.484 142 E N 0.562 120.097 120.200 -1.107 0.000 2.106 142 E HA -0.248 4.102 4.350 -0.000 0.000 0.192 142 E C 1.410 177.711 176.600 -0.500 0.000 0.984 142 E CA 0.843 56.492 56.400 -1.252 0.000 0.806 142 E CB 0.089 28.675 29.700 -1.857 0.000 0.750 142 E HN 0.598 nan 8.360 nan 0.000 0.458 143 E N 0.548 120.535 120.200 -0.355 0.000 2.058 143 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 143 E C 1.988 178.517 176.600 -0.119 0.000 0.997 143 E CA 1.634 57.919 56.400 -0.193 0.000 0.801 143 E CB -0.024 29.592 29.700 -0.141 0.000 0.746 143 E HN 0.250 nan 8.360 nan 0.000 0.450 144 E N -0.150 119.992 120.200 -0.097 0.000 2.106 144 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 144 E C 1.936 178.527 176.600 -0.015 0.000 0.984 144 E CA 1.917 58.295 56.400 -0.036 0.000 0.806 144 E CB -0.269 29.427 29.700 -0.007 0.000 0.750 144 E HN 0.138 nan 8.360 nan 0.000 0.458 145 T N 1.123 115.672 114.554 -0.008 0.000 2.674 145 T HA -0.125 4.225 4.350 -0.000 0.000 0.265 145 T C 1.577 176.294 174.700 0.028 0.000 1.039 145 T CA 1.591 63.725 62.100 0.056 0.000 1.150 145 T CB -0.143 68.833 68.868 0.180 0.000 0.864 145 T HN 0.135 nan 8.240 nan 0.000 0.427 146 K N 0.991 121.383 120.400 -0.014 0.000 2.147 146 K HA -0.035 4.285 4.320 -0.000 0.000 0.205 146 K C 2.357 178.956 176.600 -0.002 0.000 1.049 146 K CA 0.886 57.167 56.287 -0.010 0.000 0.936 146 K CB -0.255 32.218 32.500 -0.046 0.000 0.722 146 K HN 0.286 nan 8.250 nan 0.000 0.446 147 R N 0.977 121.471 120.500 -0.010 0.000 2.075 147 R HA 0.011 4.351 4.340 -0.000 0.000 0.232 147 R C 2.378 178.687 176.300 0.016 0.000 1.126 147 R CA 0.751 56.852 56.100 0.002 0.000 0.963 147 R CB -0.140 30.157 30.300 -0.005 0.000 0.858 147 R HN 0.070 nan 8.270 nan 0.000 0.435 148 I N 0.079 120.654 120.570 0.008 0.000 2.142 148 I HA -0.281 3.889 4.170 -0.000 0.000 0.240 148 I C 2.138 178.267 176.117 0.021 0.000 1.078 148 I CA 1.139 62.438 61.300 -0.003 0.000 1.343 148 I CB -0.134 37.850 38.000 -0.026 0.000 1.046 148 I HN 0.030 nan 8.210 nan 0.000 0.405 149 V N 1.013 120.947 119.914 0.033 0.000 2.332 149 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 149 V C 2.663 178.798 176.094 0.069 0.000 1.055 149 V CA 2.023 64.355 62.300 0.054 0.000 1.038 149 V CB -1.188 30.665 31.823 0.050 0.000 0.651 149 V HN 0.519 nan 8.190 nan 0.000 0.450 150 A N -0.334 122.519 122.820 0.055 0.000 1.877 150 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 150 A C 2.239 179.874 177.584 0.085 0.000 1.186 150 A CA 1.842 53.913 52.037 0.057 0.000 0.620 150 A CB -0.560 18.462 19.000 0.036 0.000 0.822 150 A HN 0.487 nan 8.150 nan 0.000 0.443 151 L N -0.512 120.770 121.223 0.098 0.000 2.083 151 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 151 L C 2.487 179.509 176.870 0.254 0.000 1.083 151 L CA 1.077 56.008 54.840 0.152 0.000 0.752 151 L CB -0.360 41.788 42.059 0.147 0.000 0.899 151 L HN 0.415 nan 8.230 nan 0.000 0.433 152 I N -0.542 120.173 120.570 0.243 0.000 2.163 152 I HA -0.290 3.880 4.170 -0.000 0.000 0.240 152 I C 2.451 178.747 176.117 0.299 0.000 1.081 152 I CA 1.274 62.789 61.300 0.359 0.000 1.353 152 I CB -0.209 37.935 38.000 0.240 0.000 1.054 152 I HN 0.244 nan 8.210 nan 0.000 0.407 153 E N 0.714 121.023 120.200 0.182 0.000 2.070 153 E HA -0.278 4.072 4.350 -0.000 0.000 0.197 153 E C 2.340 179.003 176.600 0.104 0.000 1.004 153 E CA 1.396 57.873 56.400 0.128 0.000 0.805 153 E CB -0.061 29.689 29.700 0.084 0.000 0.744 153 E HN 0.187 nan 8.360 nan 0.000 0.451 154 R N -0.060 120.498 120.500 0.098 0.000 2.083 154 R HA -0.129 4.211 4.340 -0.000 0.000 0.237 154 R C 0.862 177.168 176.300 0.010 0.000 1.137 154 R CA 0.899 57.026 56.100 0.046 0.000 0.951 154 R CB -0.305 30.023 30.300 0.046 0.000 0.851 154 R HN 0.264 nan 8.270 nan 0.000 0.434 155 H N 1.317 120.356 119.070 -0.052 0.000 2.848 155 H HA 0.042 4.598 4.556 -0.000 0.000 0.317 155 H C -1.682 173.549 175.328 -0.161 0.000 1.046 155 H CA -1.703 54.218 56.048 -0.211 0.000 1.470 155 H CB 1.700 31.096 29.762 -0.609 0.000 1.483 155 H HN 0.111 nan 8.280 nan 0.000 0.548 156 P HA -0.103 nan 4.420 nan 0.000 0.226 156 P C 0.570 177.716 177.300 -0.257 0.000 1.153 156 P CA 1.243 64.163 63.100 -0.300 0.000 0.777 156 P CB 0.444 31.824 31.700 -0.533 0.000 0.794 157 H N -2.481 116.819 119.070 0.384 0.000 2.652 157 H HA 0.221 4.777 4.556 -0.000 0.000 0.274 157 H C 0.231 175.825 175.328 0.443 0.000 1.021 157 H CA -0.299 55.954 56.048 0.343 0.000 1.187 157 H CB 0.116 30.092 29.762 0.357 0.000 1.505 157 H HN 0.076 nan 8.280 nan 0.000 0.530 158 F N 1.816 121.949 119.950 0.306 0.000 2.404 158 F HA 0.340 4.867 4.527 -0.000 0.000 0.345 158 F C 0.425 176.336 175.800 0.184 0.000 1.110 158 F CA -1.202 56.953 58.000 0.259 0.000 1.130 158 F CB 1.317 40.536 39.000 0.365 0.000 1.129 158 F HN -0.314 nan 8.300 nan 0.000 0.500 159 V N 5.314 125.384 119.914 0.261 0.000 2.577 159 V HA 0.262 4.382 4.120 -0.000 0.000 0.303 159 V C -0.722 175.494 176.094 0.204 0.000 1.042 159 V CA -0.879 61.515 62.300 0.157 0.000 0.872 159 V CB 2.326 34.134 31.823 -0.025 0.000 0.998 159 V HN 0.463 nan 8.190 nan 0.000 0.423 160 L N 4.224 125.568 121.223 0.201 0.000 2.334 160 L HA 0.364 4.704 4.340 -0.000 0.000 0.286 160 L C 1.271 178.196 176.870 0.091 0.000 1.108 160 L CA 0.736 55.675 54.840 0.165 0.000 0.875 160 L CB 0.339 42.474 42.059 0.126 0.000 1.246 160 L HN 0.851 nan 8.230 nan 0.000 0.439 161 E N 2.713 122.946 120.200 0.055 0.000 2.299 161 E HA 0.183 4.533 4.350 -0.000 0.000 0.193 161 E C 0.547 176.990 176.600 -0.260 0.000 0.998 161 E CA 0.607 56.984 56.400 -0.037 0.000 0.851 161 E CB 0.363 30.087 29.700 0.041 0.000 0.795 161 E HN 0.781 nan 8.360 nan 0.000 0.492 162 G N 0.251 108.790 108.800 -0.435 0.000 2.548 162 G HA2 0.484 4.444 3.960 -0.000 0.000 0.301 162 G HA3 0.484 4.444 3.960 -0.000 0.000 0.301 162 G C -1.774 173.091 174.900 -0.057 0.000 1.349 162 G CA -0.493 44.412 45.100 -0.324 0.000 0.792 162 G HN 0.223 nan 8.290 nan 0.000 0.481 163 L N -1.099 120.202 121.223 0.130 0.000 2.556 163 L HA 0.926 5.266 4.340 -0.000 0.000 0.257 163 L C -1.434 175.540 176.870 0.173 0.000 0.955 163 L CA -1.091 53.855 54.840 0.178 0.000 0.850 163 L CB 2.238 44.340 42.059 0.072 0.000 1.398 163 L HN 1.347 nan 8.230 nan 0.000 0.412 164 Y N -0.301 119.878 120.300 -0.202 0.000 2.725 164 Y HA 0.893 5.443 4.550 -0.000 0.000 0.333 164 Y C -1.004 174.603 175.900 -0.489 0.000 1.242 164 Y CA -0.509 57.308 58.100 -0.471 0.000 1.059 164 Y CB 1.216 39.022 38.460 -1.089 0.000 1.306 164 Y HN 0.822 nan 8.280 nan 0.000 0.454 165 T N -0.684 113.381 114.554 -0.816 0.000 2.716 165 T HA 0.566 4.916 4.350 -0.000 0.000 0.286 165 T C -2.327 172.027 174.700 -0.578 0.000 1.052 165 T CA -0.435 61.156 62.100 -0.848 0.000 1.024 165 T CB 1.343 69.517 68.868 -1.157 0.000 1.349 165 T HN 0.996 nan 8.240 nan 0.000 0.525 166 H N -0.331 118.361 119.070 -0.631 0.000 2.894 166 H HA 0.596 5.152 4.556 -0.000 0.000 0.367 166 H C -1.572 173.520 175.328 -0.393 0.000 1.144 166 H CA -0.741 55.040 56.048 -0.444 0.000 1.180 166 H CB 0.834 30.498 29.762 -0.163 0.000 1.758 166 H HN 0.469 nan 8.280 nan 0.000 0.541 167 F N 2.609 122.294 119.950 -0.442 0.000 2.404 167 F HA 0.441 4.968 4.527 -0.000 0.000 0.339 167 F C 1.258 176.957 175.800 -0.168 0.000 1.105 167 F CA -0.133 57.761 58.000 -0.177 0.000 1.087 167 F CB 1.730 40.778 39.000 0.079 0.000 1.143 167 F HN 0.737 nan 8.300 nan 0.000 0.491 168 A N 1.137 124.123 122.820 0.276 0.000 2.081 168 A HA 0.024 4.344 4.320 -0.000 0.000 0.214 168 A C 1.378 179.097 177.584 0.224 0.000 1.158 168 A CA 1.272 53.447 52.037 0.231 0.000 0.724 168 A CB -0.487 18.690 19.000 0.295 0.000 0.826 168 A HN 0.775 nan 8.150 nan 0.000 0.463 169 T N -5.014 109.725 114.554 0.309 0.000 3.460 169 T HA 0.519 4.869 4.350 -0.000 0.000 0.304 169 T C 1.009 175.810 174.700 0.168 0.000 0.991 169 T CA 0.593 62.829 62.100 0.226 0.000 0.975 169 T CB 0.151 69.173 68.868 0.258 0.000 1.196 169 T HN 0.400 nan 8.240 nan 0.000 0.490 170 A N 2.272 125.188 122.820 0.160 0.000 2.178 170 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 170 A C 1.825 179.359 177.584 -0.084 0.000 1.157 170 A CA 1.301 53.305 52.037 -0.055 0.000 0.689 170 A CB -0.452 18.575 19.000 0.045 0.000 0.787 170 A HN 0.723 nan 8.150 nan 0.000 0.465 171 D N -0.383 120.022 120.400 0.009 0.000 2.368 171 D HA 0.051 4.691 4.640 -0.000 0.000 0.218 171 D C -0.067 176.232 176.300 -0.003 0.000 1.112 171 D CA -0.087 53.914 54.000 0.001 0.000 0.834 171 D CB -0.231 40.603 40.800 0.058 0.000 0.953 171 D HN 0.501 nan 8.370 nan 0.000 0.505 172 E N 0.322 120.523 120.200 0.003 0.000 2.231 172 E HA 0.213 4.562 4.350 -0.000 0.000 0.277 172 E C 0.935 177.533 176.600 -0.003 0.000 0.999 172 E CA -0.712 55.695 56.400 0.012 0.000 0.827 172 E CB 2.924 32.647 29.700 0.038 0.000 1.101 172 E HN -0.187 nan 8.360 nan 0.000 0.393 173 V N 1.684 121.597 119.914 -0.002 0.000 2.407 173 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 173 V C 1.202 177.309 176.094 0.021 0.000 1.055 173 V CA 1.258 63.556 62.300 -0.002 0.000 1.049 173 V CB -0.590 31.231 31.823 -0.003 0.000 0.662 173 V HN 0.685 nan 8.190 nan 0.000 0.455 174 N N 1.356 120.076 118.700 0.032 0.000 2.458 174 N HA -0.009 4.731 4.740 -0.000 0.000 0.270 174 N C 0.834 176.392 175.510 0.080 0.000 1.102 174 N CA 0.772 53.852 53.050 0.051 0.000 0.967 174 N CB 1.504 40.020 38.487 0.048 0.000 1.078 174 N HN 0.432 nan 8.380 nan 0.000 0.471 175 T N 0.027 114.637 114.554 0.094 0.000 3.186 175 T HA 0.115 4.465 4.350 -0.000 0.000 0.257 175 T C 0.596 175.402 174.700 0.176 0.000 1.029 175 T CA -0.307 61.879 62.100 0.142 0.000 0.916 175 T CB 0.135 69.071 68.868 0.113 0.000 1.041 175 T HN 0.309 nan 8.240 nan 0.000 0.562 176 D N 1.212 121.704 120.400 0.152 0.000 2.087 176 D HA -0.111 4.529 4.640 -0.000 0.000 0.192 176 D C 1.361 177.799 176.300 0.229 0.000 0.993 176 D CA 1.319 55.412 54.000 0.155 0.000 0.828 176 D CB -0.370 40.505 40.800 0.126 0.000 0.968 176 D HN 0.465 nan 8.370 nan 0.000 0.448 177 Y N 0.107 120.484 120.300 0.127 0.000 2.242 177 Y HA -0.146 4.404 4.550 0.000 0.000 0.291 177 Y C 2.138 178.178 175.900 0.233 0.000 1.137 177 Y CA 0.753 58.955 58.100 0.171 0.000 1.181 177 Y CB -0.547 37.990 38.460 0.127 0.000 0.989 177 Y HN -0.079 nan 8.280 nan 0.000 0.527 178 F N 0.064 120.055 119.950 0.069 0.000 2.095 178 F HA -0.252 4.275 4.527 -0.000 0.000 0.298 178 F C 2.442 178.145 175.800 -0.162 0.000 1.104 178 F CA 2.149 60.072 58.000 -0.128 0.000 1.232 178 F CB -0.814 38.078 39.000 -0.179 0.000 0.987 178 F HN -0.094 nan 8.300 nan 0.000 0.475 179 S N -0.770 114.883 115.700 -0.079 0.000 2.383 179 S HA -0.254 4.216 4.470 -0.000 0.000 0.229 179 S C 1.763 176.295 174.600 -0.113 0.000 1.030 179 S CA 1.360 59.468 58.200 -0.153 0.000 1.002 179 S CB -0.863 62.326 63.200 -0.019 0.000 0.829 179 S HN 0.698 nan 8.310 nan 0.000 0.467 180 Y N 1.985 122.181 120.300 -0.173 0.000 2.242 180 Y HA -0.088 4.463 4.550 0.000 0.000 0.291 180 Y C 2.297 178.060 175.900 -0.229 0.000 1.137 180 Y CA 1.444 59.434 58.100 -0.183 0.000 1.181 180 Y CB -0.416 37.924 38.460 -0.200 0.000 0.989 180 Y HN 0.214 nan 8.280 nan 0.000 0.527 181 Q N -1.127 118.402 119.800 -0.451 0.000 2.079 181 Q HA -0.228 4.112 4.340 -0.000 0.000 0.200 181 Q C 2.032 177.925 176.000 -0.178 0.000 0.974 181 Q CA 1.815 57.392 55.803 -0.377 0.000 0.840 181 Q CB -0.508 28.192 28.738 -0.065 0.000 0.898 181 Q HN 0.657 nan 8.270 nan 0.000 0.430 182 Y N 1.322 121.437 120.300 -0.309 0.000 2.181 182 Y HA -0.226 4.324 4.550 -0.000 0.000 0.288 182 Y C 2.364 178.206 175.900 -0.097 0.000 1.146 182 Y CA 1.800 59.803 58.100 -0.163 0.000 1.164 182 Y CB -0.231 37.939 38.460 -0.484 0.000 0.982 182 Y HN -0.001 nan 8.280 nan 0.000 0.515 183 T N 0.652 115.143 114.554 -0.105 0.000 2.777 183 T HA -0.151 4.199 4.350 -0.000 0.000 0.266 183 T C 2.026 176.588 174.700 -0.229 0.000 1.040 183 T CA 1.175 63.190 62.100 -0.140 0.000 1.141 183 T CB -0.186 68.614 68.868 -0.113 0.000 0.868 183 T HN 0.167 nan 8.240 nan 0.000 0.444 184 R N 0.142 120.423 120.500 -0.364 0.000 2.120 184 R HA -0.015 4.325 4.340 -0.000 0.000 0.234 184 R C 2.138 178.306 176.300 -0.220 0.000 1.123 184 R CA 0.949 56.831 56.100 -0.364 0.000 0.975 184 R CB -0.794 29.160 30.300 -0.577 0.000 0.866 184 R HN 0.383 nan 8.270 nan 0.000 0.446 185 F N 1.282 120.998 119.950 -0.389 0.000 2.113 185 F HA -0.106 4.421 4.527 0.000 0.000 0.297 185 F C 2.068 177.626 175.800 -0.402 0.000 1.103 185 F CA 1.121 58.879 58.000 -0.404 0.000 1.248 185 F CB -0.569 38.185 39.000 -0.410 0.000 0.999 185 F HN -0.083 nan 8.300 nan 0.000 0.475 186 L N -0.655 120.332 121.223 -0.393 0.000 2.131 186 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 186 L C 2.497 179.151 176.870 -0.358 0.000 1.092 186 L CA 1.803 56.398 54.840 -0.408 0.000 0.759 186 L CB -0.936 40.967 42.059 -0.259 0.000 0.903 186 L HN 0.271 nan 8.230 nan 0.000 0.435 187 H N -0.248 118.581 119.070 -0.402 0.000 2.395 187 H HA -0.085 4.471 4.556 -0.000 0.000 0.299 187 H C 2.278 177.162 175.328 -0.741 0.000 1.070 187 H CA 1.387 57.188 56.048 -0.413 0.000 1.356 187 H CB 0.133 29.714 29.762 -0.302 0.000 1.401 187 H HN 0.148 nan 8.280 nan 0.000 0.524 188 M N -0.240 118.834 119.600 -0.878 0.000 2.319 188 M HA -0.039 4.441 4.480 -0.000 0.000 0.265 188 M C 1.898 177.622 176.300 -0.961 0.000 1.068 188 M CA 0.777 55.202 55.300 -1.458 0.000 1.118 188 M CB 0.151 32.178 32.600 -0.955 0.000 1.395 188 M HN 0.305 nan 8.290 nan 0.000 0.435 189 L N -0.023 120.765 121.223 -0.725 0.000 2.191 189 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 189 L C 2.189 178.844 176.870 -0.358 0.000 1.103 189 L CA 0.691 55.206 54.840 -0.541 0.000 0.769 189 L CB -0.526 41.153 42.059 -0.633 0.000 0.908 189 L HN 0.250 nan 8.230 nan 0.000 0.438 190 E N -0.694 119.257 120.200 -0.414 0.000 2.338 190 E HA -0.190 4.160 4.350 -0.000 0.000 0.197 190 E C 1.806 178.387 176.600 -0.032 0.000 1.007 190 E CA 0.740 57.003 56.400 -0.229 0.000 0.849 190 E CB -0.181 29.360 29.700 -0.264 0.000 0.774 190 E HN 0.530 nan 8.360 nan 0.000 0.506 191 W N 0.717 121.908 121.300 -0.182 0.000 2.699 191 W HA 0.089 4.749 4.660 -0.000 0.000 0.249 191 W C 0.596 177.061 176.519 -0.089 0.000 1.280 191 W CA -0.075 57.194 57.345 -0.127 0.000 1.345 191 W CB -0.609 28.785 29.460 -0.111 0.000 1.128 191 W HN -0.054 nan 8.180 nan 0.000 0.642 192 L N 3.332 124.612 121.223 0.095 0.000 2.305 192 L HA 0.108 4.448 4.340 -0.000 0.000 0.281 192 L C -0.362 176.525 176.870 0.027 0.000 1.085 192 L CA -1.444 53.424 54.840 0.047 0.000 0.813 192 L CB 0.955 43.012 42.059 -0.005 0.000 1.157 192 L HN -0.326 nan 8.230 nan 0.000 0.436 193 P HA -0.067 nan 4.420 nan 0.000 0.221 193 P C -0.028 177.282 177.300 0.015 0.000 1.150 193 P CA 0.699 63.812 63.100 0.023 0.000 0.800 193 P CB 0.324 32.039 31.700 0.026 0.000 0.787 194 S N -1.690 114.019 115.700 0.015 0.000 2.533 194 S HA 0.511 4.981 4.470 -0.000 0.000 0.271 194 S C -0.732 173.872 174.600 0.005 0.000 1.143 194 S CA -1.105 57.102 58.200 0.012 0.000 0.891 194 S CB 2.068 65.282 63.200 0.023 0.000 1.105 194 S HN -0.146 nan 8.310 nan 0.000 0.468 195 R N 1.919 122.419 120.500 0.000 0.000 2.316 195 R HA 0.477 4.817 4.340 -0.000 0.000 0.314 195 R C -2.472 173.837 176.300 0.015 0.000 1.069 195 R CA -1.170 54.926 56.100 -0.006 0.000 0.959 195 R CB -0.152 30.148 30.300 0.000 0.000 0.987 195 R HN 0.462 nan 8.270 nan 0.000 0.446 196 P HA 0.068 nan 4.420 nan 0.000 0.271 196 P C -2.081 175.241 177.300 0.037 0.000 1.233 196 P CA -1.113 62.001 63.100 0.022 0.000 0.789 196 P CB 0.398 32.101 31.700 0.005 0.000 0.951 197 P HA -0.034 nan 4.420 nan 0.000 0.225 197 P C -0.149 177.195 177.300 0.074 0.000 1.148 197 P CA 1.321 64.454 63.100 0.055 0.000 0.779 197 P CB 0.372 32.099 31.700 0.044 0.000 0.780 198 L N -0.081 121.179 121.223 0.063 0.000 2.415 198 L HA 0.354 4.694 4.340 -0.000 0.000 0.268 198 L C -0.728 176.275 176.870 0.222 0.000 0.984 198 L CA -0.794 54.118 54.840 0.121 0.000 0.853 198 L CB 2.705 44.802 42.059 0.062 0.000 1.215 198 L HN -0.392 nan 8.230 nan 0.000 0.419 199 V N 2.606 122.671 119.914 0.252 0.000 2.384 199 V HA 0.477 4.597 4.120 -0.000 0.000 0.287 199 V C -0.576 175.718 176.094 0.332 0.000 1.020 199 V CA -0.521 61.901 62.300 0.203 0.000 0.850 199 V CB 1.435 33.245 31.823 -0.022 0.000 0.987 199 V HN 0.825 nan 8.190 nan 0.000 0.436 200 H N 1.583 120.740 119.070 0.146 0.000 2.895 200 H HA 0.713 5.269 4.556 -0.000 0.000 0.373 200 H C 0.297 175.684 175.328 0.099 0.000 1.174 200 H CA -0.463 55.688 56.048 0.172 0.000 1.144 200 H CB 1.756 31.595 29.762 0.129 0.000 1.793 200 H HN 0.626 nan 8.280 nan 0.000 0.551 201 C N -0.200 119.212 119.300 0.187 0.000 4.717 201 C HA 0.742 5.202 4.460 -0.000 0.000 0.495 201 C C 0.879 175.946 174.990 0.128 0.000 1.530 201 C CA 0.264 59.217 59.018 -0.108 0.000 2.309 201 C CB -0.496 27.065 27.740 -0.299 0.000 3.351 201 C HN 1.013 nan 8.230 nan 0.000 0.587 202 A N 3.402 126.479 122.820 0.430 0.000 2.363 202 A HA 0.641 4.961 4.320 -0.000 0.000 0.270 202 A C 0.251 178.089 177.584 0.424 0.000 1.121 202 A CA 0.185 52.539 52.037 0.528 0.000 0.800 202 A CB 0.307 19.613 19.000 0.510 0.000 1.052 202 A HN 0.817 nan 8.150 nan 0.000 0.493 203 N N 1.147 120.108 118.700 0.435 0.000 2.717 203 N HA 0.287 5.027 4.740 -0.000 0.000 0.314 203 N C 0.865 176.578 175.510 0.338 0.000 1.324 203 N CA -0.074 53.207 53.050 0.385 0.000 0.902 203 N CB -0.312 38.422 38.487 0.411 0.000 1.126 203 N HN 0.273 nan 8.380 nan 0.000 0.579 204 S N -0.582 115.281 115.700 0.272 0.000 2.353 204 S HA -0.123 4.347 4.470 -0.000 0.000 0.222 204 S C 1.884 176.589 174.600 0.174 0.000 1.035 204 S CA 1.633 59.966 58.200 0.221 0.000 1.025 204 S CB -0.907 62.295 63.200 0.003 0.000 0.902 204 S HN 0.721 nan 8.310 nan 0.000 0.440 205 A N 1.546 124.440 122.820 0.124 0.000 1.877 205 A HA 0.069 4.389 4.320 -0.000 0.000 0.216 205 A C 2.374 179.939 177.584 -0.032 0.000 1.186 205 A CA 1.868 53.919 52.037 0.022 0.000 0.620 205 A CB -1.207 17.806 19.000 0.023 0.000 0.822 205 A HN 0.529 nan 8.150 nan 0.000 0.443 206 A N 0.255 123.132 122.820 0.095 0.000 1.902 206 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 206 A C 2.507 180.197 177.584 0.176 0.000 1.181 206 A CA 2.430 54.561 52.037 0.157 0.000 0.623 206 A CB -1.001 18.280 19.000 0.469 0.000 0.818 206 A HN 0.976 nan 8.150 nan 0.000 0.443 207 S N -0.144 115.688 115.700 0.220 0.000 2.402 207 S HA -0.003 4.467 4.470 -0.000 0.000 0.229 207 S C 1.742 176.389 174.600 0.079 0.000 1.021 207 S CA 1.316 59.629 58.200 0.189 0.000 0.974 207 S CB -0.548 62.787 63.200 0.224 0.000 0.800 207 S HN 0.427 nan 8.310 nan 0.000 0.484 208 L N 0.172 121.416 121.223 0.033 0.000 2.341 208 L HA 0.179 4.519 4.340 -0.000 0.000 0.214 208 L C 2.946 179.702 176.870 -0.189 0.000 1.115 208 L CA 0.663 55.476 54.840 -0.044 0.000 0.820 208 L CB -0.188 41.839 42.059 -0.054 0.000 0.944 208 L HN 0.254 nan 8.230 nan 0.000 0.452 209 R N -0.680 119.601 120.500 -0.365 0.000 2.105 209 R HA 0.096 4.436 4.340 -0.000 0.000 0.214 209 R C -0.094 175.644 176.300 -0.937 0.000 1.091 209 R CA 0.657 56.272 56.100 -0.808 0.000 1.007 209 R CB 0.338 29.837 30.300 -1.334 0.000 0.912 209 R HN 0.108 nan 8.270 nan 0.000 0.450 210 F N 0.877 120.802 119.950 -0.041 0.000 2.584 210 F HA 0.338 4.865 4.527 -0.000 0.000 0.328 210 F C -1.865 173.956 175.800 0.035 0.000 1.407 210 F CA -2.549 55.441 58.000 -0.016 0.000 1.145 210 F CB 1.338 40.323 39.000 -0.025 0.000 1.440 210 F HN -0.153 nan 8.300 nan 0.000 0.580 211 P HA -0.186 nan 4.420 nan 0.000 0.223 211 P C 0.660 178.023 177.300 0.106 0.000 1.144 211 P CA 1.555 64.719 63.100 0.106 0.000 0.783 211 P CB 0.048 31.779 31.700 0.051 0.000 0.771 212 D N -1.156 119.304 120.400 0.101 0.000 2.347 212 D HA -0.063 4.577 4.640 -0.000 0.000 0.213 212 D C 1.227 177.552 176.300 0.041 0.000 0.985 212 D CA 0.212 54.245 54.000 0.056 0.000 0.879 212 D CB -0.280 40.543 40.800 0.038 0.000 0.919 212 D HN 0.065 nan 8.370 nan 0.000 0.526 213 R N 0.565 121.130 120.500 0.108 0.000 2.791 213 R HA 0.174 4.514 4.340 -0.000 0.000 0.357 213 R C 0.484 176.981 176.300 0.327 0.000 1.173 213 R CA 0.290 56.460 56.100 0.117 0.000 1.060 213 R CB 0.329 30.605 30.300 -0.040 0.000 1.406 213 R HN 0.312 nan 8.270 nan 0.000 0.580 214 T N -3.120 111.593 114.554 0.265 0.000 3.022 214 T HA 0.177 4.527 4.350 -0.000 0.000 0.250 214 T C 0.656 175.687 174.700 0.551 0.000 1.060 214 T CA -0.170 62.187 62.100 0.428 0.000 1.013 214 T CB -0.193 68.854 68.868 0.298 0.000 0.982 214 T HN 0.160 nan 8.240 nan 0.000 0.508 215 F N 2.432 122.529 119.950 0.245 0.000 2.183 215 F HA -0.317 4.210 4.527 -0.000 0.000 0.318 215 F C 1.144 177.047 175.800 0.172 0.000 0.276 215 F CA 1.514 59.637 58.000 0.206 0.000 0.912 215 F CB -1.316 37.834 39.000 0.250 0.000 4.135 215 F HN 0.387 nan 8.300 nan 0.000 0.137 216 N N 0.604 119.559 118.700 0.425 0.000 2.236 216 N HA 0.345 5.085 4.740 -0.000 0.000 0.196 216 N C -0.290 175.393 175.510 0.287 0.000 1.114 216 N CA 0.632 53.855 53.050 0.287 0.000 0.859 216 N CB 0.945 39.595 38.487 0.272 0.000 0.982 216 N HN 0.596 nan 8.380 nan 0.000 0.493 217 M N 0.740 120.517 119.600 0.295 0.000 2.365 217 M HA 0.341 4.821 4.480 -0.000 0.000 0.288 217 M C -2.027 174.412 176.300 0.231 0.000 1.152 217 M CA -0.950 54.478 55.300 0.212 0.000 0.948 217 M CB 2.072 34.712 32.600 0.066 0.000 1.729 217 M HN -0.073 nan 8.290 nan 0.000 0.487 218 V N 1.987 122.006 119.914 0.175 0.000 2.715 218 V HA 0.720 4.840 4.120 -0.000 0.000 0.310 218 V C -0.898 175.301 176.094 0.175 0.000 1.054 218 V CA -0.696 61.731 62.300 0.212 0.000 0.928 218 V CB 1.979 33.916 31.823 0.189 0.000 1.007 218 V HN 0.973 nan 8.190 nan 0.000 0.437 219 R N 3.791 124.428 120.500 0.228 0.000 2.233 219 R HA 0.420 4.760 4.340 -0.000 0.000 0.334 219 R C -1.332 175.136 176.300 0.281 0.000 1.037 219 R CA -0.352 55.865 56.100 0.195 0.000 0.920 219 R CB 1.046 31.453 30.300 0.179 0.000 1.137 219 R HN 0.739 nan 8.270 nan 0.000 0.492 220 F N 2.519 122.491 119.950 0.037 0.000 2.413 220 F HA 0.338 4.865 4.527 0.000 0.000 0.359 220 F C 0.733 176.503 175.800 -0.050 0.000 1.122 220 F CA -0.212 57.790 58.000 0.004 0.000 1.160 220 F CB 0.875 39.850 39.000 -0.041 0.000 1.146 220 F HN 0.559 nan 8.300 nan 0.000 0.514 221 G N 4.844 113.481 108.800 -0.272 0.000 2.694 221 G HA2 0.002 3.962 3.960 -0.000 0.000 0.212 221 G HA3 0.002 3.962 3.960 -0.000 0.000 0.212 221 G C 1.096 175.731 174.900 -0.440 0.000 2.030 221 G CA 0.184 45.113 45.100 -0.285 0.000 0.731 221 G HN 0.541 nan 8.290 nan 0.000 0.795 222 I N 1.970 122.471 120.570 -0.116 0.000 2.145 222 I HA -0.218 3.952 4.170 -0.000 0.000 0.244 222 I C 2.929 178.883 176.117 -0.271 0.000 1.075 222 I CA 2.176 63.410 61.300 -0.110 0.000 1.332 222 I CB -0.242 37.544 38.000 -0.356 0.000 1.033 222 I HN 0.263 nan 8.210 nan 0.000 0.410 223 A N -0.259 122.282 122.820 -0.466 0.000 2.070 223 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 223 A C 2.409 179.663 177.584 -0.550 0.000 1.159 223 A CA 1.871 53.635 52.037 -0.454 0.000 0.656 223 A CB -0.905 17.880 19.000 -0.360 0.000 0.800 223 A HN 0.672 nan 8.150 nan 0.000 0.453 224 M N -1.625 117.381 119.600 -0.991 0.000 2.229 224 M HA -0.114 4.366 4.480 -0.000 0.000 0.264 224 M C 1.014 176.943 176.300 -0.619 0.000 1.063 224 M CA 1.611 56.476 55.300 -0.725 0.000 1.114 224 M CB -0.170 31.883 32.600 -0.911 0.000 1.387 224 M HN 0.423 nan 8.290 nan 0.000 0.420 225 Y N 0.355 120.449 120.300 -0.343 0.000 2.490 225 Y HA 0.348 4.898 4.550 0.000 0.000 0.281 225 Y C 1.579 177.421 175.900 -0.097 0.000 1.174 225 Y CA 0.429 58.358 58.100 -0.285 0.000 1.295 225 Y CB -0.434 37.750 38.460 -0.459 0.000 1.062 225 Y HN 0.510 nan 8.280 nan 0.000 0.522 226 G N 0.447 109.241 108.800 -0.011 0.000 2.136 226 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.242 226 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.242 226 G C -0.290 174.620 174.900 0.016 0.000 0.989 226 G CA -0.064 45.056 45.100 0.032 0.000 0.682 226 G HN 0.282 nan 8.290 nan 0.000 0.522 227 L N 0.428 121.636 121.223 -0.025 0.000 2.322 227 L HA 0.778 5.118 4.340 -0.000 0.000 0.281 227 L C 0.860 177.668 176.870 -0.104 0.000 1.014 227 L CA -0.702 54.106 54.840 -0.055 0.000 0.815 227 L CB 1.921 43.932 42.059 -0.080 0.000 1.247 227 L HN 0.267 nan 8.230 nan 0.000 0.421 228 A N 4.112 126.886 122.820 -0.075 0.000 2.450 228 A HA 0.383 4.703 4.320 -0.000 0.000 0.255 228 A C -1.634 175.915 177.584 -0.058 0.000 1.096 228 A CA -1.082 50.913 52.037 -0.070 0.000 0.778 228 A CB 0.081 19.053 19.000 -0.046 0.000 1.031 228 A HN 0.628 nan 8.150 nan 0.000 0.494 229 P HA -0.103 nan 4.420 nan 0.000 0.218 229 P C 0.357 177.732 177.300 0.124 0.000 1.146 229 P CA 2.030 65.174 63.100 0.073 0.000 0.813 229 P CB 0.094 31.845 31.700 0.086 0.000 0.778 230 S N -5.690 110.041 115.700 0.051 0.000 2.578 230 S HA 0.406 4.876 4.470 -0.000 0.000 0.272 230 S C -2.738 171.872 174.600 0.015 0.000 1.145 230 S CA -1.196 57.035 58.200 0.050 0.000 0.835 230 S CB 1.306 64.536 63.200 0.049 0.000 1.104 230 S HN -0.293 nan 8.310 nan 0.000 0.458 231 P HA 0.148 nan 4.420 nan 0.000 0.219 231 P C 1.669 178.967 177.300 -0.003 0.000 1.150 231 P CA 1.528 64.632 63.100 0.006 0.000 0.814 231 P CB -0.396 31.311 31.700 0.012 0.000 0.787 232 G N 1.232 110.030 108.800 -0.002 0.000 2.418 232 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 232 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 232 G C 1.358 176.243 174.900 -0.025 0.000 1.158 232 G CA 0.824 45.918 45.100 -0.010 0.000 0.771 232 G HN 0.434 nan 8.290 nan 0.000 0.545 233 I N -2.534 118.015 120.570 -0.035 0.000 3.684 233 I HA 0.275 4.445 4.170 -0.000 0.000 0.304 233 I C 2.038 178.115 176.117 -0.068 0.000 1.278 233 I CA 0.123 61.385 61.300 -0.063 0.000 1.272 233 I CB 0.012 37.960 38.000 -0.087 0.000 1.029 233 I HN -0.061 nan 8.210 nan 0.000 0.458 234 K N 2.199 122.570 120.400 -0.048 0.000 2.059 234 K HA -0.119 4.201 4.320 -0.000 0.000 0.212 234 K C -0.394 176.173 176.600 -0.055 0.000 1.050 234 K CA 2.057 58.314 56.287 -0.049 0.000 0.927 234 K CB -1.286 31.197 32.500 -0.028 0.000 0.714 234 K HN 0.429 nan 8.250 nan 0.000 0.447 235 P HA -0.047 nan 4.420 nan 0.000 0.242 235 P C 0.835 178.102 177.300 -0.055 0.000 1.197 235 P CA 0.945 64.020 63.100 -0.041 0.000 0.765 235 P CB 0.014 31.698 31.700 -0.028 0.000 0.936 236 L N -1.735 119.442 121.223 -0.077 0.000 2.640 236 L HA 0.154 4.494 4.340 -0.000 0.000 0.230 236 L C 0.544 177.338 176.870 -0.127 0.000 1.123 236 L CA -0.487 54.293 54.840 -0.100 0.000 0.900 236 L CB -0.270 41.714 42.059 -0.124 0.000 1.146 236 L HN -0.107 nan 8.230 nan 0.000 0.484 237 L N 1.435 122.580 121.223 -0.130 0.000 2.453 237 L HA 0.099 4.439 4.340 -0.000 0.000 0.272 237 L C -0.865 175.916 176.870 -0.148 0.000 1.182 237 L CA -0.917 53.818 54.840 -0.175 0.000 0.858 237 L CB -0.239 41.696 42.059 -0.207 0.000 1.120 237 L HN -0.126 nan 8.230 nan 0.000 0.474 238 P HA -0.070 nan 4.420 nan 0.000 0.217 238 P C -0.950 176.402 177.300 0.087 0.000 1.151 238 P CA 1.188 64.278 63.100 -0.016 0.000 0.828 238 P CB 0.111 31.852 31.700 0.067 0.000 0.788 239 Y N -3.263 117.031 120.300 -0.011 0.000 2.581 239 Y HA 0.734 5.284 4.550 0.000 0.000 0.345 239 Y C -2.951 172.953 175.900 0.007 0.000 1.036 239 Y CA -3.576 54.523 58.100 -0.002 0.000 1.042 239 Y CB -0.404 38.055 38.460 -0.001 0.000 1.289 239 Y HN -0.329 nan 8.280 nan 0.000 0.471 240 P HA 0.261 nan 4.420 nan 0.000 0.276 240 P C -0.857 176.527 177.300 0.139 0.000 1.243 240 P CA -0.037 63.113 63.100 0.085 0.000 0.768 240 P CB 1.336 33.088 31.700 0.086 0.000 0.856 241 L N 3.272 124.520 121.223 0.042 0.000 2.395 241 L HA 0.341 4.681 4.340 -0.000 0.000 0.269 241 L C 0.987 177.909 176.870 0.087 0.000 1.133 241 L CA -0.463 54.422 54.840 0.076 0.000 0.812 241 L CB 0.405 42.461 42.059 -0.006 0.000 1.125 241 L HN 0.234 nan 8.230 nan 0.000 0.452 242 K N 2.141 122.605 120.400 0.107 0.000 2.293 242 K HA 0.276 4.596 4.320 -0.000 0.000 0.267 242 K C -0.674 175.984 176.600 0.096 0.000 1.010 242 K CA -0.562 55.781 56.287 0.094 0.000 0.875 242 K CB 1.706 34.267 32.500 0.101 0.000 1.106 242 K HN 0.435 nan 8.250 nan 0.000 0.450 243 E N 1.707 121.963 120.200 0.093 0.000 2.344 243 E HA 0.061 4.411 4.350 -0.000 0.000 0.270 243 E C 0.148 176.840 176.600 0.153 0.000 1.021 243 E CA -0.014 56.461 56.400 0.124 0.000 0.887 243 E CB 0.862 30.628 29.700 0.109 0.000 0.997 243 E HN 0.742 nan 8.360 nan 0.000 0.429 244 A N 5.120 128.082 122.820 0.236 0.000 2.229 244 A HA 0.140 4.460 4.320 -0.000 0.000 0.211 244 A C 0.035 177.805 177.584 0.310 0.000 1.193 244 A CA -0.258 51.941 52.037 0.269 0.000 0.879 244 A CB 0.279 19.473 19.000 0.324 0.000 0.911 244 A HN 0.603 nan 8.150 nan 0.000 0.492 245 F N 1.696 121.736 119.950 0.149 0.000 2.408 245 F HA 0.535 5.062 4.527 -0.000 0.000 0.344 245 F C 0.404 176.170 175.800 -0.057 0.000 1.112 245 F CA 0.025 58.023 58.000 -0.004 0.000 1.096 245 F CB 1.428 40.343 39.000 -0.142 0.000 1.129 245 F HN 0.099 nan 8.300 nan 0.000 0.486 246 S N 6.278 121.695 115.700 -0.472 0.000 2.564 246 S HA 0.805 5.275 4.470 -0.000 0.000 0.274 246 S C -1.907 172.190 174.600 -0.839 0.000 1.124 246 S CA -0.846 57.092 58.200 -0.437 0.000 0.869 246 S CB 1.997 65.075 63.200 -0.204 0.000 1.105 246 S HN 0.774 nan 8.310 nan 0.000 0.472 247 L N 2.355 123.005 121.223 -0.955 0.000 2.436 247 L HA 0.693 5.033 4.340 -0.000 0.000 0.268 247 L C -1.259 174.815 176.870 -1.327 0.000 0.974 247 L CA -0.058 54.194 54.840 -0.980 0.000 0.826 247 L CB 1.741 43.471 42.059 -0.549 0.000 1.291 247 L HN 1.011 nan 8.230 nan 0.000 0.406 248 H N 2.208 120.719 119.070 -0.932 0.000 2.949 248 H HA 0.807 5.363 4.556 -0.000 0.000 0.356 248 H C -1.136 173.566 175.328 -1.043 0.000 1.212 248 H CA -0.845 54.589 56.048 -1.024 0.000 1.136 248 H CB 2.213 31.209 29.762 -1.276 0.000 1.869 248 H HN 0.599 nan 8.280 nan 0.000 0.556 249 S N -0.455 114.923 115.700 -0.537 0.000 2.727 249 S HA 0.603 5.073 4.470 -0.000 0.000 0.278 249 S C -1.400 173.190 174.600 -0.016 0.000 1.186 249 S CA -0.772 57.294 58.200 -0.224 0.000 0.836 249 S CB 1.981 65.056 63.200 -0.209 0.000 1.186 249 S HN 0.629 nan 8.310 nan 0.000 0.499 250 R N 0.551 121.098 120.500 0.079 0.000 2.740 250 R HA 0.530 4.870 4.340 -0.000 0.000 0.273 250 R C -1.209 175.125 176.300 0.056 0.000 0.998 250 R CA -0.847 55.309 56.100 0.094 0.000 0.900 250 R CB 1.186 31.585 30.300 0.164 0.000 1.223 250 R HN 0.502 nan 8.270 nan 0.000 0.466 251 L N 2.253 123.503 121.223 0.044 0.000 2.455 251 L HA 0.070 4.410 4.340 -0.000 0.000 0.272 251 L C 1.329 178.239 176.870 0.067 0.000 1.174 251 L CA -0.149 54.717 54.840 0.044 0.000 0.869 251 L CB 0.773 42.852 42.059 0.032 0.000 1.130 251 L HN 0.615 nan 8.230 nan 0.000 0.474 252 V N -1.482 118.483 119.914 0.085 0.000 3.605 252 V HA 0.299 4.419 4.120 -0.000 0.000 0.284 252 V C -0.030 176.166 176.094 0.170 0.000 1.386 252 V CA 0.058 62.416 62.300 0.097 0.000 1.053 252 V CB -0.236 31.632 31.823 0.074 0.000 0.857 252 V HN 0.843 nan 8.190 nan 0.000 0.436 253 H N -0.605 118.484 119.070 0.032 0.000 3.112 253 H HA 0.761 5.316 4.556 -0.000 0.000 0.347 253 H C -1.810 173.555 175.328 0.062 0.000 1.188 253 H CA -0.593 55.480 56.048 0.043 0.000 1.240 253 H CB 2.194 31.977 29.762 0.035 0.000 1.920 253 H HN -0.015 nan 8.280 nan 0.000 0.535 254 V N 5.059 124.848 119.914 -0.208 0.000 2.686 254 V HA 0.531 4.651 4.120 -0.000 0.000 0.306 254 V C -0.814 175.170 176.094 -0.182 0.000 1.065 254 V CA -0.814 61.417 62.300 -0.115 0.000 0.894 254 V CB 1.848 33.694 31.823 0.039 0.000 1.004 254 V HN 0.871 nan 8.190 nan 0.000 0.424 255 K N 2.473 122.848 120.400 -0.041 0.000 2.555 255 K HA 0.712 5.032 4.320 -0.000 0.000 0.279 255 K C -1.440 175.048 176.600 -0.187 0.000 0.986 255 K CA -1.163 55.083 56.287 -0.068 0.000 0.880 255 K CB 2.836 35.208 32.500 -0.214 0.000 1.474 255 K HN 0.450 nan 8.250 nan 0.000 0.433 256 K N 2.297 122.374 120.400 -0.539 0.000 2.206 256 K HA 0.400 4.720 4.320 -0.000 0.000 0.264 256 K C -1.062 175.280 176.600 -0.430 0.000 0.967 256 K CA -0.747 55.007 56.287 -0.888 0.000 0.844 256 K CB 0.996 32.646 32.500 -1.415 0.000 1.099 256 K HN 0.585 nan 8.250 nan 0.000 0.441 257 L N 3.771 124.799 121.223 -0.325 0.000 2.325 257 L HA 0.343 4.683 4.340 -0.000 0.000 0.278 257 L C -0.028 176.747 176.870 -0.159 0.000 1.023 257 L CA -1.106 53.630 54.840 -0.172 0.000 0.811 257 L CB 1.790 43.803 42.059 -0.077 0.000 1.249 257 L HN 0.635 nan 8.230 nan 0.000 0.431 258 Q N 2.245 121.977 119.800 -0.113 0.000 2.227 258 Q HA 0.378 4.718 4.340 -0.000 0.000 0.245 258 Q C -2.258 173.701 176.000 -0.069 0.000 0.926 258 Q CA -2.055 53.693 55.803 -0.092 0.000 0.895 258 Q CB 1.098 29.791 28.738 -0.074 0.000 1.230 258 Q HN 0.262 nan 8.270 nan 0.000 0.450 259 P HA -0.028 nan 4.420 nan 0.000 0.263 259 P C 0.597 177.864 177.300 -0.055 0.000 1.175 259 P CA 1.287 64.352 63.100 -0.057 0.000 0.761 259 P CB 0.332 32.002 31.700 -0.049 0.000 0.794 260 G N 1.452 110.214 108.800 -0.064 0.000 2.234 260 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.235 260 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.235 260 G C 0.026 174.898 174.900 -0.047 0.000 0.997 260 G CA -0.359 44.707 45.100 -0.056 0.000 0.623 260 G HN 0.563 nan 8.290 nan 0.000 0.514 261 E N 1.431 121.605 120.200 -0.042 0.000 2.338 261 E HA 0.389 4.739 4.350 -0.000 0.000 0.272 261 E C 0.235 176.832 176.600 -0.005 0.000 1.029 261 E CA 0.079 56.466 56.400 -0.021 0.000 0.872 261 E CB 0.738 30.426 29.700 -0.020 0.000 1.015 261 E HN 0.413 nan 8.360 nan 0.000 0.417 262 K N 1.055 121.464 120.400 0.015 0.000 2.139 262 K HA 0.579 4.899 4.320 -0.000 0.000 0.243 262 K C -0.643 176.012 176.600 0.092 0.000 0.983 262 K CA -0.837 55.480 56.287 0.050 0.000 0.890 262 K CB 1.621 34.141 32.500 0.033 0.000 1.090 262 K HN 0.160 nan 8.250 nan 0.000 0.445 263 V N 0.836 120.843 119.914 0.155 0.000 2.638 263 V HA 0.278 4.398 4.120 -0.000 0.000 0.306 263 V C -0.021 176.113 176.094 0.067 0.000 1.052 263 V CA -0.598 61.771 62.300 0.115 0.000 0.885 263 V CB 1.372 33.287 31.823 0.154 0.000 0.999 263 V HN 1.047 nan 8.190 nan 0.000 0.424 264 S N 2.676 118.363 115.700 -0.023 0.000 3.756 264 S HA -0.204 4.266 4.470 -0.000 0.000 0.640 264 S C -0.373 174.183 174.600 -0.073 0.000 2.059 264 S CA 0.041 58.181 58.200 -0.100 0.000 2.224 264 S CB -0.630 62.557 63.200 -0.021 0.000 0.327 264 S HN 0.717 nan 8.310 nan 0.000 1.789 265 Y N 1.349 121.688 120.300 0.066 0.000 2.811 265 Y HA 0.233 4.783 4.550 -0.000 0.000 0.334 265 Y C 1.937 177.873 175.900 0.060 0.000 1.247 265 Y CA 1.322 59.459 58.100 0.062 0.000 1.526 265 Y CB -0.047 38.454 38.460 0.068 0.000 1.284 265 Y HN 1.305 nan 8.280 nan 0.000 0.586 266 G N 1.991 110.934 108.800 0.237 0.000 2.189 266 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.267 266 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.267 266 G C 0.665 175.630 174.900 0.108 0.000 0.975 266 G CA 0.225 45.413 45.100 0.146 0.000 0.644 266 G HN 1.910 nan 8.290 nan 0.000 0.537 267 A N -1.158 121.723 122.820 0.103 0.000 2.704 267 A HA 0.001 4.321 4.320 -0.000 0.000 0.299 267 A C 2.082 179.721 177.584 0.091 0.000 1.507 267 A CA 2.563 54.649 52.037 0.082 0.000 0.776 267 A CB -2.314 16.720 19.000 0.056 0.000 1.027 267 A HN 2.466 nan 8.150 nan 0.000 0.475 268 T N -3.560 111.067 114.554 0.122 0.000 3.148 268 T HA 0.293 4.643 4.350 -0.000 0.000 0.253 268 T C 0.275 175.079 174.700 0.173 0.000 1.134 268 T CA 1.200 63.378 62.100 0.130 0.000 1.051 268 T CB -0.148 68.803 68.868 0.139 0.000 0.959 268 T HN 1.257 nan 8.240 nan 0.000 0.525 269 Y N 1.294 121.622 120.300 0.047 0.000 2.409 269 Y HA 0.553 5.104 4.550 0.000 0.000 0.343 269 Y C -0.992 174.924 175.900 0.027 0.000 0.973 269 Y CA -0.861 57.265 58.100 0.044 0.000 1.064 269 Y CB 2.119 40.606 38.460 0.045 0.000 1.207 269 Y HN 0.000 nan 8.280 nan 0.000 0.452 270 T N 5.170 119.326 114.554 -0.663 0.000 2.848 270 T HA 0.652 5.002 4.350 -0.000 0.000 0.285 270 T C -0.701 173.619 174.700 -0.633 0.000 0.995 270 T CA -0.595 61.240 62.100 -0.442 0.000 0.970 270 T CB 1.279 70.004 68.868 -0.238 0.000 0.976 270 T HN 0.843 nan 8.240 nan 0.000 0.441 271 A N 2.837 125.484 122.820 -0.290 0.000 2.484 271 A HA 0.243 4.563 4.320 -0.000 0.000 0.268 271 A C 1.385 178.884 177.584 -0.142 0.000 1.114 271 A CA -0.221 51.725 52.037 -0.151 0.000 0.780 271 A CB 0.212 19.197 19.000 -0.025 0.000 1.061 271 A HN 0.747 nan 8.150 nan 0.000 0.505 272 Q N 0.991 120.716 119.800 -0.125 0.000 2.245 272 Q HA 0.006 4.346 4.340 -0.000 0.000 0.201 272 Q C 1.064 177.035 176.000 -0.049 0.000 0.955 272 Q CA 1.680 57.433 55.803 -0.084 0.000 0.870 272 Q CB -0.081 28.620 28.738 -0.063 0.000 0.945 272 Q HN 1.003 nan 8.270 nan 0.000 0.461 273 T N -3.988 110.545 114.554 -0.034 0.000 2.647 273 T HA 0.340 4.690 4.350 -0.000 0.000 0.295 273 T C -0.625 174.049 174.700 -0.043 0.000 1.126 273 T CA -0.913 61.169 62.100 -0.030 0.000 1.040 273 T CB 1.475 70.336 68.868 -0.010 0.000 1.472 273 T HN -0.124 nan 8.240 nan 0.000 0.500 274 E N 1.949 122.115 120.200 -0.055 0.000 2.081 274 E HA 0.214 4.564 4.350 -0.000 0.000 0.270 274 E C -0.117 176.412 176.600 -0.118 0.000 1.180 274 E CA -0.052 56.282 56.400 -0.109 0.000 0.926 274 E CB 0.198 29.836 29.700 -0.104 0.000 1.035 274 E HN 0.564 nan 8.360 nan 0.000 0.418 275 E N 2.714 122.825 120.200 -0.148 0.000 2.343 275 E HA 0.316 4.666 4.350 -0.000 0.000 0.270 275 E C -1.081 175.395 176.600 -0.207 0.000 0.895 275 E CA -1.051 55.296 56.400 -0.088 0.000 0.767 275 E CB 0.889 30.615 29.700 0.044 0.000 1.248 275 E HN 0.215 nan 8.360 nan 0.000 0.440 276 W N 1.859 123.163 121.300 0.007 0.000 2.331 276 W HA 0.347 5.007 4.660 0.000 0.000 0.306 276 W C -0.450 176.057 176.519 -0.021 0.000 1.162 276 W CA -0.521 56.816 57.345 -0.014 0.000 1.232 276 W CB 0.844 30.293 29.460 -0.020 0.000 1.235 276 W HN 0.306 nan 8.180 nan 0.000 0.479 277 I N 3.598 124.253 120.570 0.142 0.000 2.404 277 I HA 0.530 4.700 4.170 -0.000 0.000 0.293 277 I C 0.573 176.718 176.117 0.047 0.000 0.992 277 I CA -0.707 60.631 61.300 0.064 0.000 1.149 277 I CB 0.994 38.998 38.000 0.006 0.000 1.315 277 I HN 0.514 nan 8.210 nan 0.000 0.446 278 G N 3.800 112.618 108.800 0.031 0.000 2.448 278 G HA2 0.639 4.599 3.960 -0.000 0.000 0.324 278 G HA3 0.639 4.599 3.960 -0.000 0.000 0.324 278 G C -0.887 174.022 174.900 0.015 0.000 1.203 278 G CA -0.274 44.837 45.100 0.019 0.000 0.954 278 G HN 0.482 nan 8.290 nan 0.000 0.480 279 T N 1.773 116.351 114.554 0.039 0.000 2.794 279 T HA 0.554 4.904 4.350 -0.000 0.000 0.280 279 T C 0.227 174.951 174.700 0.040 0.000 0.987 279 T CA -0.169 61.961 62.100 0.050 0.000 0.993 279 T CB 1.020 69.947 68.868 0.099 0.000 0.939 279 T HN 0.602 nan 8.240 nan 0.000 0.449 280 I N 0.722 121.298 120.570 0.011 0.000 2.569 280 I HA 0.584 4.754 4.170 -0.000 0.000 0.296 280 I C -2.641 173.465 176.117 -0.018 0.000 1.028 280 I CA -3.456 57.837 61.300 -0.011 0.000 1.082 280 I CB 2.448 40.412 38.000 -0.060 0.000 1.264 280 I HN 0.240 nan 8.210 nan 0.000 0.429 281 P HA 0.361 nan 4.420 nan 0.000 0.226 281 P C -0.626 176.644 177.300 -0.049 0.000 1.783 281 P CA 0.338 63.432 63.100 -0.011 0.000 0.980 281 P CB -0.171 31.545 31.700 0.026 0.000 1.967 282 I N -0.190 120.333 120.570 -0.078 0.000 2.644 282 I HA 0.708 4.878 4.170 -0.000 0.000 0.291 282 I C -0.640 175.451 176.117 -0.043 0.000 1.180 282 I CA -0.583 60.650 61.300 -0.112 0.000 1.040 282 I CB 2.159 40.005 38.000 -0.258 0.000 1.255 282 I HN 0.195 nan 8.210 nan 0.000 0.422 283 G N 4.055 112.851 108.800 -0.007 0.000 3.021 283 G HA2 0.225 4.185 3.960 -0.000 0.000 0.290 283 G HA3 0.225 4.185 3.960 -0.000 0.000 0.290 283 G C -0.444 174.524 174.900 0.113 0.000 1.291 283 G CA -0.119 45.003 45.100 0.036 0.000 0.834 283 G HN 0.684 nan 8.290 nan 0.000 0.564 284 Y N -1.200 119.177 120.300 0.129 0.000 2.509 284 Y HA 0.367 4.917 4.550 -0.000 0.000 0.293 284 Y C 2.305 178.248 175.900 0.072 0.000 1.133 284 Y CA 0.949 59.108 58.100 0.098 0.000 1.283 284 Y CB -0.595 37.898 38.460 0.055 0.000 1.001 284 Y HN 0.329 nan 8.280 nan 0.000 0.555 285 A N 0.252 123.069 122.820 -0.006 0.000 2.206 285 A HA -0.023 4.297 4.320 -0.000 0.000 0.211 285 A C 1.318 178.909 177.584 0.010 0.000 1.158 285 A CA 1.056 53.119 52.037 0.043 0.000 0.761 285 A CB -0.409 18.562 19.000 -0.048 0.000 0.801 285 A HN 0.483 nan 8.150 nan 0.000 0.473 286 D N -1.359 119.051 120.400 0.016 0.000 2.369 286 D HA 0.254 4.894 4.640 -0.000 0.000 0.211 286 D C 1.293 177.638 176.300 0.075 0.000 1.077 286 D CA 1.004 54.997 54.000 -0.011 0.000 0.842 286 D CB 0.577 41.357 40.800 -0.034 0.000 0.947 286 D HN 0.531 nan 8.370 nan 0.000 0.509 287 G N 0.742 109.626 108.800 0.139 0.000 2.179 287 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 287 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 287 G C 0.015 175.054 174.900 0.233 0.000 0.990 287 G CA -0.345 44.847 45.100 0.153 0.000 0.646 287 G HN 0.366 nan 8.290 nan 0.000 0.517 288 W N 3.678 124.987 121.300 0.015 0.000 1.738 288 W HA 0.545 5.205 4.660 -0.000 0.000 0.399 288 W C 0.600 177.158 176.519 0.064 0.000 0.744 288 W CA -0.772 56.578 57.345 0.008 0.000 1.695 288 W CB -0.359 29.097 29.460 -0.007 0.000 1.820 288 W HN 0.077 nan 8.180 nan 0.000 0.262 289 L N 3.737 124.924 121.223 -0.060 0.000 2.554 289 L HA -0.107 4.233 4.340 -0.000 0.000 0.293 289 L C 1.860 178.670 176.870 -0.101 0.000 1.252 289 L CA 0.402 55.207 54.840 -0.059 0.000 0.862 289 L CB 0.251 42.234 42.059 -0.126 0.000 1.113 289 L HN 0.370 nan 8.230 nan 0.000 0.510 290 R N 1.387 121.859 120.500 -0.047 0.000 2.139 290 R HA -0.216 4.124 4.340 -0.000 0.000 0.243 290 R C 2.142 178.397 176.300 -0.075 0.000 1.145 290 R CA 1.695 57.773 56.100 -0.037 0.000 0.976 290 R CB -0.336 29.905 30.300 -0.099 0.000 0.866 290 R HN 0.517 nan 8.270 nan 0.000 0.449 291 R N 1.140 121.581 120.500 -0.099 0.000 2.303 291 R HA -0.097 4.243 4.340 -0.000 0.000 0.225 291 R C 1.336 177.625 176.300 -0.017 0.000 1.114 291 R CA 0.930 56.992 56.100 -0.064 0.000 1.007 291 R CB -0.109 30.139 30.300 -0.086 0.000 0.861 291 R HN 0.236 nan 8.270 nan 0.000 0.471 292 L N 0.704 121.835 121.223 -0.154 0.000 2.627 292 L HA 0.004 4.344 4.340 -0.000 0.000 0.233 292 L C 2.228 179.029 176.870 -0.114 0.000 1.144 292 L CA 0.181 54.870 54.840 -0.250 0.000 0.892 292 L CB -0.209 41.405 42.059 -0.742 0.000 1.039 292 L HN 0.361 nan 8.230 nan 0.000 0.442 293 Q N 0.338 120.094 119.800 -0.074 0.000 2.217 293 Q HA -0.263 4.077 4.340 -0.000 0.000 0.209 293 Q C 0.962 176.833 176.000 -0.216 0.000 0.988 293 Q CA 1.894 57.596 55.803 -0.168 0.000 0.878 293 Q CB -0.006 28.550 28.738 -0.304 0.000 0.909 293 Q HN 0.616 nan 8.270 nan 0.000 0.424 294 H N -1.561 117.630 119.070 0.201 0.000 2.542 294 H HA 0.218 4.774 4.556 -0.000 0.000 0.283 294 H C -0.352 175.080 175.328 0.174 0.000 1.059 294 H CA -0.627 55.544 56.048 0.206 0.000 1.162 294 H CB 0.252 30.170 29.762 0.260 0.000 1.539 294 H HN 0.196 nan 8.280 nan 0.000 0.543 295 F N 2.070 121.903 119.950 -0.195 0.000 2.239 295 F HA 0.148 4.675 4.527 -0.000 0.000 0.288 295 F C 0.887 176.677 175.800 -0.017 0.000 1.225 295 F CA -0.474 57.319 58.000 -0.344 0.000 1.162 295 F CB 0.655 39.272 39.000 -0.639 0.000 1.484 295 F HN 0.194 nan 8.300 nan 0.000 0.512 296 H N -0.417 118.230 119.070 -0.705 0.000 2.977 296 H HA 0.609 5.165 4.556 -0.000 0.000 0.350 296 H C -1.586 173.524 175.328 -0.363 0.000 1.238 296 H CA -0.783 55.019 56.048 -0.410 0.000 1.124 296 H CB 0.905 30.438 29.762 -0.382 0.000 1.866 296 H HN 0.600 nan 8.280 nan 0.000 0.550 297 V N -0.700 119.130 119.914 -0.139 0.000 3.164 297 V HA 0.626 4.746 4.120 -0.000 0.000 0.313 297 V C -0.694 175.401 176.094 0.002 0.000 1.188 297 V CA -1.275 60.957 62.300 -0.113 0.000 1.058 297 V CB 1.970 33.759 31.823 -0.058 0.000 1.110 297 V HN 0.659 nan 8.190 nan 0.000 0.453 298 L N 1.546 122.755 121.223 -0.024 0.000 2.307 298 L HA 0.830 5.170 4.340 -0.000 0.000 0.284 298 L C -0.757 176.105 176.870 -0.012 0.000 1.023 298 L CA -0.771 54.072 54.840 0.005 0.000 0.810 298 L CB 1.661 43.723 42.059 0.005 0.000 1.231 298 L HN 0.596 nan 8.230 nan 0.000 0.423 299 V N 2.765 122.676 119.914 -0.005 0.000 2.711 299 V HA 0.283 4.403 4.120 -0.000 0.000 0.304 299 V C -0.429 175.658 176.094 -0.012 0.000 1.097 299 V CA -0.174 62.119 62.300 -0.012 0.000 0.906 299 V CB 1.809 33.624 31.823 -0.014 0.000 1.015 299 V HN 0.913 nan 8.190 nan 0.000 0.427 300 D N 4.797 125.189 120.400 -0.013 0.000 2.751 300 D HA -0.143 4.497 4.640 -0.000 0.000 0.233 300 D C 1.075 177.367 176.300 -0.013 0.000 1.149 300 D CA 2.195 56.185 54.000 -0.017 0.000 0.682 300 D CB -1.118 39.666 40.800 -0.027 0.000 1.068 300 D HN 2.078 nan 8.370 nan 0.000 0.429 301 G N -0.720 108.075 108.800 -0.007 0.000 2.153 301 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.252 301 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.252 301 G C 0.023 174.919 174.900 -0.007 0.000 0.994 301 G CA 0.778 45.875 45.100 -0.005 0.000 0.698 301 G HN 0.713 nan 8.290 nan 0.000 0.521 302 Q N -0.570 119.226 119.800 -0.007 0.000 2.423 302 Q HA 0.568 4.908 4.340 -0.000 0.000 0.278 302 Q C -0.610 175.388 176.000 -0.004 0.000 1.097 302 Q CA -1.163 54.633 55.803 -0.013 0.000 0.809 302 Q CB 1.794 30.522 28.738 -0.018 0.000 1.391 302 Q HN 0.274 nan 8.270 nan 0.000 0.428 303 K N 0.760 121.145 120.400 -0.026 0.000 2.322 303 K HA 0.570 4.890 4.320 -0.000 0.000 0.283 303 K C -0.758 175.834 176.600 -0.013 0.000 1.042 303 K CA -0.224 56.055 56.287 -0.014 0.000 0.958 303 K CB 0.967 33.323 32.500 -0.240 0.000 0.984 303 K HN 0.639 nan 8.250 nan 0.000 0.473 304 A N 4.857 127.698 122.820 0.035 0.000 2.353 304 A HA 0.445 4.765 4.320 -0.000 0.000 0.299 304 A C -2.532 175.076 177.584 0.040 0.000 1.089 304 A CA -1.778 50.271 52.037 0.021 0.000 0.736 304 A CB 0.962 19.971 19.000 0.014 0.000 1.195 304 A HN 0.417 nan 8.150 nan 0.000 0.447 305 P HA 0.268 nan 4.420 nan 0.000 0.275 305 P C -0.425 176.879 177.300 0.007 0.000 1.228 305 P CA 0.097 63.220 63.100 0.039 0.000 0.786 305 P CB 0.777 32.503 31.700 0.042 0.000 0.927 306 I N 2.632 123.216 120.570 0.023 0.000 2.441 306 I HA 0.134 4.304 4.170 -0.000 0.000 0.287 306 I C 0.698 176.765 176.117 -0.083 0.000 1.049 306 I CA -0.554 60.746 61.300 0.000 0.000 1.381 306 I CB 1.118 39.161 38.000 0.071 0.000 1.409 306 I HN 0.156 nan 8.210 nan 0.000 0.523 307 V N 3.245 123.038 119.914 -0.201 0.000 2.628 307 V HA 0.997 5.117 4.120 -0.000 0.000 0.306 307 V C 0.285 176.206 176.094 -0.289 0.000 1.045 307 V CA -0.225 61.810 62.300 -0.441 0.000 0.905 307 V CB 0.822 32.005 31.823 -1.068 0.000 0.997 307 V HN 1.083 nan 8.190 nan 0.000 0.436 308 G N 3.596 112.303 108.800 -0.154 0.000 2.855 308 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.352 308 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.352 308 G C -0.257 174.648 174.900 0.008 0.000 1.415 308 G CA -0.274 44.834 45.100 0.013 0.000 0.871 308 G HN 1.121 nan 8.290 nan 0.000 0.543 309 R N -0.854 119.688 120.500 0.070 0.000 2.643 309 R HA 0.332 4.672 4.340 -0.000 0.000 0.270 309 R C 0.725 177.106 176.300 0.135 0.000 1.061 309 R CA -0.161 56.000 56.100 0.103 0.000 1.107 309 R CB 0.442 30.854 30.300 0.187 0.000 0.999 309 R HN 0.456 nan 8.270 nan 0.000 0.460 310 I N 1.958 122.622 120.570 0.157 0.000 2.474 310 I HA 0.067 4.237 4.170 -0.000 0.000 0.287 310 I C 0.453 176.766 176.117 0.326 0.000 1.048 310 I CA -0.355 61.073 61.300 0.212 0.000 1.383 310 I CB 0.922 39.056 38.000 0.224 0.000 1.412 310 I HN 0.518 nan 8.210 nan 0.000 0.531 311 C N 5.178 124.622 119.300 0.239 0.000 2.328 311 C HA 0.209 4.669 4.460 -0.000 0.000 0.378 311 C C 1.929 176.792 174.990 -0.211 0.000 1.249 311 C CA -0.545 58.599 59.018 0.209 0.000 2.204 311 C CB 1.396 29.237 27.740 0.169 0.000 2.218 311 C HN 0.908 nan 8.230 nan 0.000 0.564 312 M N 1.060 120.316 119.600 -0.573 0.000 2.149 312 M HA -0.150 4.330 4.480 -0.000 0.000 0.261 312 M C 0.743 176.747 176.300 -0.492 0.000 1.064 312 M CA 2.048 56.669 55.300 -1.133 0.000 1.102 312 M CB -0.128 32.091 32.600 -0.636 0.000 1.369 312 M HN 0.721 nan 8.290 nan 0.000 0.408 313 D N -1.142 119.125 120.400 -0.221 0.000 2.520 313 D HA 0.150 4.790 4.640 -0.000 0.000 0.223 313 D C -0.165 176.102 176.300 -0.056 0.000 1.186 313 D CA 0.129 54.062 54.000 -0.113 0.000 0.821 313 D CB 0.638 41.397 40.800 -0.070 0.000 1.072 313 D HN 0.490 nan 8.370 nan 0.000 0.518 314 Q N 0.246 120.027 119.800 -0.032 0.000 2.511 314 Q HA 0.629 4.969 4.340 -0.000 0.000 0.289 314 Q C -0.815 175.205 176.000 0.033 0.000 1.021 314 Q CA -0.994 54.809 55.803 -0.001 0.000 0.785 314 Q CB 2.966 31.706 28.738 0.003 0.000 1.472 314 Q HN 0.235 nan 8.270 nan 0.000 0.411 315 C N -1.074 118.246 119.300 0.034 0.000 3.285 315 C HA 0.872 5.332 4.460 -0.000 0.000 0.325 315 C C -1.411 173.592 174.990 0.022 0.000 1.304 315 C CA -0.750 58.300 59.018 0.055 0.000 1.319 315 C CB 0.849 28.663 27.740 0.123 0.000 1.640 315 C HN 0.866 nan 8.230 nan 0.000 0.477 316 M N 2.697 122.300 119.600 0.004 0.000 2.578 316 M HA 0.820 5.300 4.480 -0.000 0.000 0.321 316 M C -0.131 176.144 176.300 -0.043 0.000 1.182 316 M CA -0.751 54.536 55.300 -0.022 0.000 0.965 316 M CB 1.663 34.238 32.600 -0.042 0.000 1.694 316 M HN 0.855 nan 8.290 nan 0.000 0.461 317 I N -1.736 118.811 120.570 -0.038 0.000 2.934 317 I HA 0.699 4.869 4.170 -0.000 0.000 0.306 317 I C -0.890 175.207 176.117 -0.033 0.000 1.110 317 I CA -1.121 60.156 61.300 -0.039 0.000 1.019 317 I CB 2.279 40.273 38.000 -0.010 0.000 1.227 317 I HN 0.644 nan 8.210 nan 0.000 0.434 318 R N 4.103 124.585 120.500 -0.029 0.000 2.221 318 R HA 0.624 4.964 4.340 -0.000 0.000 0.327 318 R C -1.187 175.143 176.300 0.049 0.000 1.033 318 R CA -0.503 55.608 56.100 0.018 0.000 0.887 318 R CB 0.825 31.142 30.300 0.028 0.000 1.057 318 R HN 0.690 nan 8.270 nan 0.000 0.455 319 L N 6.359 127.635 121.223 0.088 0.000 2.421 319 L HA 0.377 4.717 4.340 -0.000 0.000 0.263 319 L C -1.316 175.604 176.870 0.083 0.000 1.122 319 L CA -2.098 52.786 54.840 0.074 0.000 0.804 319 L CB 1.012 43.115 42.059 0.073 0.000 1.150 319 L HN 0.561 nan 8.230 nan 0.000 0.457 320 P HA -0.001 nan 4.420 nan 0.000 0.218 320 P C 0.400 177.714 177.300 0.024 0.000 1.149 320 P CA 0.655 63.769 63.100 0.023 0.000 0.817 320 P CB 0.307 32.001 31.700 -0.011 0.000 0.785 321 G N -1.852 106.910 108.800 -0.063 0.000 2.578 321 G HA2 0.368 4.328 3.960 -0.000 0.000 0.302 321 G HA3 0.368 4.328 3.960 -0.000 0.000 0.302 321 G C -3.180 171.309 174.900 -0.685 0.000 1.243 321 G CA -0.669 44.282 45.100 -0.250 0.000 0.843 321 G HN -0.281 nan 8.290 nan 0.000 0.486 322 P HA 0.428 nan 4.420 nan 0.000 0.280 322 P C -0.679 176.278 177.300 -0.571 0.000 1.300 322 P CA 0.049 62.364 63.100 -1.308 0.000 0.785 322 P CB 0.985 31.794 31.700 -1.484 0.000 0.874 323 L N 6.424 127.423 121.223 -0.373 0.000 2.331 323 L HA 0.538 4.878 4.340 -0.000 0.000 0.275 323 L C -1.834 174.951 176.870 -0.141 0.000 1.022 323 L CA -2.489 52.232 54.840 -0.198 0.000 0.812 323 L CB 2.000 43.986 42.059 -0.122 0.000 1.257 323 L HN 0.220 nan 8.230 nan 0.000 0.435 324 P HA 0.097 nan 4.420 nan 0.000 0.274 324 P C -0.414 176.875 177.300 -0.019 0.000 1.231 324 P CA -0.297 62.771 63.100 -0.053 0.000 0.790 324 P CB 1.074 32.749 31.700 -0.042 0.000 0.951 325 V N 1.735 121.654 119.914 0.009 0.000 2.872 325 V HA 0.277 4.397 4.120 -0.000 0.000 0.307 325 V C 1.729 177.840 176.094 0.028 0.000 1.072 325 V CA 2.078 64.399 62.300 0.036 0.000 1.148 325 V CB -0.040 31.821 31.823 0.063 0.000 0.954 325 V HN 1.083 nan 8.190 nan 0.000 0.490 326 G N 3.343 112.166 108.800 0.039 0.000 2.194 326 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.236 326 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.236 326 G C 0.359 175.284 174.900 0.042 0.000 0.987 326 G CA 0.106 45.231 45.100 0.042 0.000 0.635 326 G HN 0.778 nan 8.290 nan 0.000 0.520 327 T N 1.558 116.129 114.554 0.027 0.000 2.888 327 T HA 0.365 4.715 4.350 -0.000 0.000 0.301 327 T C 0.584 175.306 174.700 0.037 0.000 1.001 327 T CA 0.551 62.662 62.100 0.019 0.000 1.147 327 T CB 1.250 70.115 68.868 -0.005 0.000 0.931 327 T HN 0.488 nan 8.240 nan 0.000 0.541 328 K N 2.831 123.258 120.400 0.046 0.000 2.350 328 K HA 0.333 4.653 4.320 -0.000 0.000 0.279 328 K C -0.955 175.652 176.600 0.012 0.000 1.027 328 K CA -0.377 55.946 56.287 0.060 0.000 0.969 328 K CB 0.389 32.936 32.500 0.079 0.000 0.954 328 K HN 0.305 nan 8.250 nan 0.000 0.474 329 V N 3.547 123.449 119.914 -0.020 0.000 2.540 329 V HA 0.251 4.371 4.120 -0.000 0.000 0.302 329 V C -0.473 175.557 176.094 -0.106 0.000 1.035 329 V CA -0.781 61.481 62.300 -0.063 0.000 0.873 329 V CB 2.019 33.788 31.823 -0.090 0.000 0.992 329 V HN 0.845 nan 8.190 nan 0.000 0.428 330 T N 5.756 120.257 114.554 -0.087 0.000 2.758 330 T HA 0.490 4.840 4.350 -0.000 0.000 0.285 330 T C 0.711 175.280 174.700 -0.219 0.000 0.981 330 T CA -0.191 61.829 62.100 -0.134 0.000 0.965 330 T CB 1.423 70.290 68.868 -0.003 0.000 0.927 330 T HN 0.395 nan 8.240 nan 0.000 0.448 331 L N 3.373 124.372 121.223 -0.374 0.000 2.253 331 L HA 0.461 4.801 4.340 -0.000 0.000 0.205 331 L C 0.349 177.151 176.870 -0.113 0.000 1.078 331 L CA 0.886 55.527 54.840 -0.332 0.000 0.805 331 L CB 0.197 41.775 42.059 -0.802 0.000 0.963 331 L HN 0.546 nan 8.230 nan 0.000 0.459 332 I N -0.563 119.877 120.570 -0.218 0.000 2.534 332 I HA 0.612 4.782 4.170 -0.000 0.000 0.286 332 I C 0.065 176.075 176.117 -0.179 0.000 1.094 332 I CA -0.442 60.811 61.300 -0.077 0.000 1.055 332 I CB 1.642 39.648 38.000 0.011 0.000 1.225 332 I HN 0.132 nan 8.210 nan 0.000 0.435 333 G N 5.387 114.149 108.800 -0.064 0.000 2.302 333 G HA2 0.141 4.101 3.960 -0.000 0.000 0.264 333 G HA3 0.141 4.101 3.960 -0.000 0.000 0.264 333 G C -1.850 173.055 174.900 0.009 0.000 1.335 333 G CA -0.919 44.159 45.100 -0.037 0.000 0.982 333 G HN 0.688 nan 8.290 nan 0.000 0.473 334 R N 0.015 120.532 120.500 0.028 0.000 2.750 334 R HA 0.749 5.089 4.340 -0.000 0.000 0.281 334 R C -1.402 174.913 176.300 0.025 0.000 0.972 334 R CA -0.645 55.471 56.100 0.026 0.000 0.912 334 R CB 1.741 32.053 30.300 0.020 0.000 1.187 334 R HN 0.559 nan 8.270 nan 0.000 0.464 335 Q N 2.076 121.887 119.800 0.018 0.000 2.269 335 Q HA 0.292 4.632 4.340 -0.000 0.000 0.263 335 Q C -0.193 175.811 176.000 0.007 0.000 0.983 335 Q CA 0.077 55.886 55.803 0.011 0.000 0.777 335 Q CB 2.168 30.913 28.738 0.011 0.000 1.273 335 Q HN 1.052 nan 8.270 nan 0.000 0.440 336 G N 3.338 112.139 108.800 0.002 0.000 2.596 336 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.304 336 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.304 336 G C 0.267 175.169 174.900 0.003 0.000 1.189 336 G CA 0.603 45.703 45.100 0.000 0.000 0.986 336 G HN 0.715 nan 8.290 nan 0.000 0.548 337 D N 2.135 122.536 120.400 0.003 0.000 2.339 337 D HA 0.152 4.792 4.640 -0.000 0.000 0.217 337 D C 0.773 177.079 176.300 0.010 0.000 1.050 337 D CA 0.529 54.532 54.000 0.005 0.000 0.856 337 D CB 0.270 41.070 40.800 0.002 0.000 0.922 337 D HN 0.490 nan 8.370 nan 0.000 0.518 338 E N 0.713 120.920 120.200 0.012 0.000 2.248 338 E HA 0.430 4.780 4.350 -0.000 0.000 0.272 338 E C -0.388 176.231 176.600 0.031 0.000 1.008 338 E CA -0.709 55.704 56.400 0.022 0.000 0.856 338 E CB 3.164 32.877 29.700 0.021 0.000 1.120 338 E HN -0.178 nan 8.360 nan 0.000 0.397 339 V N 2.115 122.057 119.914 0.047 0.000 2.969 339 V HA 0.486 4.606 4.120 -0.000 0.000 0.304 339 V C -1.670 174.470 176.094 0.076 0.000 1.192 339 V CA -0.608 61.723 62.300 0.051 0.000 0.962 339 V CB 1.798 33.648 31.823 0.044 0.000 1.045 339 V HN 0.593 nan 8.190 nan 0.000 0.428 340 I N 5.947 126.560 120.570 0.073 0.000 2.418 340 I HA 0.564 4.734 4.170 -0.000 0.000 0.287 340 I C 0.257 176.438 176.117 0.106 0.000 1.008 340 I CA -0.330 61.036 61.300 0.109 0.000 1.104 340 I CB 2.188 40.246 38.000 0.096 0.000 1.264 340 I HN 0.847 nan 8.210 nan 0.000 0.438 341 S N 5.582 121.354 115.700 0.119 0.000 2.722 341 S HA 0.529 4.999 4.470 -0.000 0.000 0.292 341 S C 1.011 175.671 174.600 0.100 0.000 1.135 341 S CA -0.788 57.470 58.200 0.098 0.000 1.003 341 S CB 1.755 65.003 63.200 0.080 0.000 1.067 341 S HN 0.581 nan 8.310 nan 0.000 0.546 342 I N 0.616 121.235 120.570 0.080 0.000 2.454 342 I HA -0.142 4.028 4.170 -0.000 0.000 0.254 342 I C 1.463 177.593 176.117 0.022 0.000 1.156 342 I CA 1.139 62.469 61.300 0.050 0.000 1.433 342 I CB -0.403 37.616 38.000 0.032 0.000 1.082 342 I HN 0.653 nan 8.210 nan 0.000 0.432 343 D N 0.881 121.303 120.400 0.037 0.000 2.144 343 D HA -0.163 4.477 4.640 -0.000 0.000 0.200 343 D C 1.744 178.069 176.300 0.041 0.000 0.978 343 D CA 1.111 55.130 54.000 0.031 0.000 0.833 343 D CB -0.213 40.609 40.800 0.037 0.000 0.961 343 D HN 0.275 nan 8.370 nan 0.000 0.470 344 D N -0.150 120.299 120.400 0.083 0.000 2.117 344 D HA -0.085 4.555 4.640 -0.000 0.000 0.198 344 D C 2.251 178.569 176.300 0.030 0.000 0.982 344 D CA 0.427 54.515 54.000 0.147 0.000 0.828 344 D CB -0.127 40.839 40.800 0.277 0.000 0.967 344 D HN 0.092 nan 8.370 nan 0.000 0.464 345 V N 1.442 121.298 119.914 -0.096 0.000 2.358 345 V HA -0.175 3.945 4.120 -0.000 0.000 0.246 345 V C 2.540 178.462 176.094 -0.285 0.000 1.047 345 V CA 1.621 63.672 62.300 -0.415 0.000 1.035 345 V CB -0.745 30.908 31.823 -0.284 0.000 0.658 345 V HN 0.160 nan 8.190 nan 0.000 0.452 346 A N 0.038 122.777 122.820 -0.135 0.000 1.933 346 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 346 A C 2.430 179.970 177.584 -0.074 0.000 1.175 346 A CA 1.931 53.911 52.037 -0.095 0.000 0.628 346 A CB -0.562 18.413 19.000 -0.041 0.000 0.814 346 A HN 0.456 nan 8.150 nan 0.000 0.444 347 R N -1.250 119.227 120.500 -0.037 0.000 2.080 347 R HA -0.234 4.106 4.340 -0.000 0.000 0.236 347 R C 2.145 178.427 176.300 -0.030 0.000 1.137 347 R CA 2.144 58.239 56.100 -0.010 0.000 0.943 347 R CB -0.557 29.770 30.300 0.044 0.000 0.846 347 R HN 0.730 nan 8.270 nan 0.000 0.431 348 H N -0.048 118.938 119.070 -0.140 0.000 2.421 348 H HA -0.029 4.527 4.556 -0.000 0.000 0.298 348 H C 1.701 176.917 175.328 -0.187 0.000 1.087 348 H CA 1.654 57.605 56.048 -0.162 0.000 1.330 348 H CB 0.046 29.609 29.762 -0.332 0.000 1.388 348 H HN 0.179 nan 8.280 nan 0.000 0.526 349 L N 0.187 121.332 121.223 -0.130 0.000 2.591 349 L HA 0.045 4.385 4.340 -0.000 0.000 0.228 349 L C 0.125 176.920 176.870 -0.125 0.000 1.133 349 L CA 0.343 55.095 54.840 -0.147 0.000 0.880 349 L CB 0.053 42.004 42.059 -0.181 0.000 1.033 349 L HN 0.329 nan 8.230 nan 0.000 0.450 350 E N 0.497 120.630 120.200 -0.112 0.000 2.252 350 E HA -0.221 4.129 4.350 -0.000 0.000 0.218 350 E C 0.197 176.755 176.600 -0.070 0.000 1.253 350 E CA 0.625 56.974 56.400 -0.086 0.000 0.705 350 E CB -1.219 28.427 29.700 -0.091 0.000 1.172 350 E HN 0.401 nan 8.360 nan 0.000 0.369 351 T N -1.114 113.403 114.554 -0.063 0.000 2.618 351 T HA 0.737 5.087 4.350 -0.000 0.000 0.286 351 T C -0.712 173.975 174.700 -0.021 0.000 1.027 351 T CA -0.484 61.586 62.100 -0.049 0.000 1.063 351 T CB 1.171 70.002 68.868 -0.062 0.000 1.440 351 T HN 0.323 nan 8.240 nan 0.000 0.505 352 I N 1.126 121.699 120.570 0.005 0.000 2.676 352 I HA 0.547 4.717 4.170 -0.000 0.000 0.309 352 I C 1.328 177.496 176.117 0.084 0.000 0.990 352 I CA -1.078 60.262 61.300 0.067 0.000 1.168 352 I CB 1.462 39.536 38.000 0.123 0.000 1.343 352 I HN 0.730 nan 8.210 nan 0.000 0.482 353 N N 2.575 121.330 118.700 0.092 0.000 2.205 353 N HA -0.282 4.457 4.740 -0.000 0.000 0.186 353 N C 1.321 176.849 175.510 0.029 0.000 1.015 353 N CA 1.681 54.745 53.050 0.023 0.000 0.862 353 N CB -1.007 37.467 38.487 -0.023 0.000 0.986 353 N HN 0.804 nan 8.380 nan 0.000 0.429 354 Y N 0.888 121.158 120.300 -0.050 0.000 2.102 354 Y HA -0.187 4.363 4.550 -0.000 0.000 0.280 354 Y C 2.650 178.456 175.900 -0.157 0.000 1.178 354 Y CA 1.809 59.851 58.100 -0.097 0.000 1.146 354 Y CB -0.560 37.826 38.460 -0.123 0.000 0.968 354 Y HN 0.271 nan 8.280 nan 0.000 0.504 355 E N -0.108 120.121 120.200 0.049 0.000 2.204 355 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 355 E C 2.051 178.605 176.600 -0.077 0.000 0.989 355 E CA 0.916 57.292 56.400 -0.040 0.000 0.824 355 E CB -0.030 29.643 29.700 -0.044 0.000 0.756 355 E HN 0.276 nan 8.360 nan 0.000 0.477 356 V N 1.527 121.389 119.914 -0.087 0.000 2.270 356 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 356 V C -0.849 175.135 176.094 -0.185 0.000 1.043 356 V CA 1.981 64.211 62.300 -0.116 0.000 1.014 356 V CB -1.348 30.412 31.823 -0.104 0.000 0.645 356 V HN 0.321 nan 8.190 nan 0.000 0.447 357 P HA -0.048 nan 4.420 nan 0.000 0.221 357 P C 1.649 178.746 177.300 -0.337 0.000 1.150 357 P CA 1.194 63.941 63.100 -0.588 0.000 0.800 357 P CB -0.247 30.961 31.700 -0.820 0.000 0.787 358 C N -1.286 117.897 119.300 -0.194 0.000 2.446 358 C HA -0.037 4.423 4.460 -0.000 0.000 0.279 358 C C 2.526 177.484 174.990 -0.053 0.000 1.366 358 C CA 1.470 60.424 59.018 -0.105 0.000 1.763 358 C CB -1.863 25.814 27.740 -0.105 0.000 1.929 358 C HN 0.287 nan 8.230 nan 0.000 0.509 359 T N 1.042 115.561 114.554 -0.058 0.000 3.043 359 T HA 0.109 4.459 4.350 -0.000 0.000 0.263 359 T C 0.705 175.420 174.700 0.024 0.000 1.094 359 T CA 0.543 62.637 62.100 -0.010 0.000 1.127 359 T CB -0.143 68.712 68.868 -0.021 0.000 0.905 359 T HN 0.248 nan 8.240 nan 0.000 0.490 360 I N 4.378 124.954 120.570 0.010 0.000 2.576 360 I HA 0.069 4.239 4.170 -0.000 0.000 0.288 360 I C 1.300 177.445 176.117 0.046 0.000 1.126 360 I CA -0.162 61.172 61.300 0.057 0.000 1.362 360 I CB -1.177 36.887 38.000 0.106 0.000 1.419 360 I HN 0.254 nan 8.210 nan 0.000 0.533 361 S N 7.108 122.826 115.700 0.031 0.000 2.612 361 S HA -0.021 4.449 4.470 -0.000 0.000 0.253 361 S C 1.361 175.940 174.600 -0.034 0.000 1.346 361 S CA -0.078 58.137 58.200 0.024 0.000 0.976 361 S CB 0.274 63.454 63.200 -0.033 0.000 0.949 361 S HN 0.580 nan 8.310 nan 0.000 0.584 362 Y N -0.271 120.062 120.300 0.054 0.000 2.403 362 Y HA 0.115 4.665 4.550 -0.000 0.000 0.291 362 Y C 2.215 178.142 175.900 0.045 0.000 1.143 362 Y CA 0.814 58.947 58.100 0.055 0.000 1.257 362 Y CB -0.526 37.968 38.460 0.057 0.000 0.984 362 Y HN 0.489 nan 8.280 nan 0.000 0.550 363 R N 0.720 120.627 120.500 -0.987 0.000 2.148 363 R HA 0.026 4.366 4.340 -0.000 0.000 0.227 363 R C -0.095 176.052 176.300 -0.256 0.000 1.103 363 R CA 0.795 56.516 56.100 -0.630 0.000 0.983 363 R CB -0.227 29.725 30.300 -0.580 0.000 0.874 363 R HN 0.210 nan 8.270 nan 0.000 0.451 364 V N 4.533 124.329 119.914 -0.197 0.000 2.385 364 V HA 0.158 4.278 4.120 -0.000 0.000 0.269 364 V C -1.971 174.046 176.094 -0.129 0.000 1.043 364 V CA -1.844 60.370 62.300 -0.142 0.000 0.906 364 V CB 1.091 32.846 31.823 -0.112 0.000 0.995 364 V HN 0.066 nan 8.190 nan 0.000 0.467 365 P HA 0.303 nan 4.420 nan 0.000 0.271 365 P C -0.666 176.502 177.300 -0.220 0.000 1.218 365 P CA -0.544 62.419 63.100 -0.228 0.000 0.780 365 P CB 0.901 32.310 31.700 -0.484 0.000 0.901 366 R N 2.032 122.427 120.500 -0.174 0.000 2.387 366 R HA 0.539 4.879 4.340 -0.000 0.000 0.314 366 R C -0.198 175.837 176.300 -0.442 0.000 0.958 366 R CA -0.493 55.409 56.100 -0.331 0.000 0.846 366 R CB 0.508 30.605 30.300 -0.338 0.000 1.147 366 R HN 0.472 nan 8.270 nan 0.000 0.447 367 I N 4.597 124.928 120.570 -0.400 0.000 2.336 367 I HA 0.339 4.509 4.170 -0.000 0.000 0.292 367 I C -0.589 175.286 176.117 -0.404 0.000 0.991 367 I CA -0.564 60.581 61.300 -0.257 0.000 1.227 367 I CB 0.909 38.900 38.000 -0.015 0.000 1.366 367 I HN 0.376 nan 8.210 nan 0.000 0.466 368 F N 5.614 125.538 119.950 -0.044 0.000 2.450 368 F HA 0.529 5.056 4.527 0.000 0.000 0.332 368 F C -0.292 175.413 175.800 -0.159 0.000 1.093 368 F CA -0.491 57.520 58.000 0.018 0.000 1.003 368 F CB 1.218 40.237 39.000 0.032 0.000 1.151 368 F HN 0.154 nan 8.300 nan 0.000 0.474 369 F N 1.525 121.597 119.950 0.203 0.000 2.532 369 F HA 0.754 5.281 4.527 -0.000 0.000 0.321 369 F C -0.323 175.524 175.800 0.079 0.000 1.089 369 F CA -0.927 57.142 58.000 0.115 0.000 0.926 369 F CB 2.257 41.301 39.000 0.073 0.000 1.168 369 F HN 0.272 nan 8.300 nan 0.000 0.459 370 R N 0.889 121.496 120.500 0.179 0.000 2.523 370 R HA 0.391 4.731 4.340 -0.000 0.000 0.278 370 R C -1.233 175.046 176.300 -0.036 0.000 1.150 370 R CA -0.883 55.194 56.100 -0.037 0.000 0.987 370 R CB 0.088 30.335 30.300 -0.089 0.000 1.232 370 R HN 0.750 nan 8.270 nan 0.000 0.424 371 H N 4.036 123.137 119.070 0.051 0.000 2.941 371 H HA -0.145 4.411 4.556 0.000 0.000 0.279 371 H C -0.350 175.015 175.328 0.061 0.000 1.247 371 H CA 0.936 56.998 56.048 0.023 0.000 1.129 371 H CB -0.457 29.304 29.762 -0.002 0.000 1.313 371 H HN 0.708 nan 8.280 nan 0.000 0.384 372 K N -2.129 118.372 120.400 0.168 0.000 3.341 372 K HA -0.215 4.105 4.320 -0.000 0.000 0.305 372 K C -0.082 176.662 176.600 0.241 0.000 1.270 372 K CA 1.651 58.047 56.287 0.181 0.000 0.897 372 K CB -1.499 31.070 32.500 0.115 0.000 1.264 372 K HN 0.747 nan 8.250 nan 0.000 0.468 373 R N -0.039 120.608 120.500 0.245 0.000 2.795 373 R HA 0.567 4.907 4.340 -0.000 0.000 0.275 373 R C 0.321 176.632 176.300 0.017 0.000 0.981 373 R CA -1.117 55.077 56.100 0.158 0.000 0.917 373 R CB 1.262 31.619 30.300 0.094 0.000 1.202 373 R HN -0.067 nan 8.270 nan 0.000 0.469 374 I N 2.619 123.070 120.570 -0.199 0.000 2.598 374 I HA -0.070 4.100 4.170 -0.000 0.000 0.284 374 I C 1.459 177.451 176.117 -0.209 0.000 1.140 374 I CA 0.351 61.344 61.300 -0.512 0.000 1.420 374 I CB 0.795 38.517 38.000 -0.464 0.000 1.387 374 I HN 0.628 nan 8.210 nan 0.000 0.553 375 M N 5.716 125.225 119.600 -0.151 0.000 2.369 375 M HA 0.076 4.556 4.480 -0.000 0.000 0.254 375 M C 0.580 176.877 176.300 -0.005 0.000 1.136 375 M CA 1.294 56.579 55.300 -0.024 0.000 1.190 375 M CB 0.504 33.126 32.600 0.038 0.000 1.289 375 M HN 0.727 nan 8.290 nan 0.000 0.468 376 E N -0.776 119.461 120.200 0.063 0.000 2.445 376 E HA 0.487 4.837 4.350 -0.000 0.000 0.279 376 E C -1.617 175.103 176.600 0.201 0.000 1.018 376 E CA -1.003 55.457 56.400 0.099 0.000 0.816 376 E CB 2.227 31.971 29.700 0.074 0.000 1.356 376 E HN 0.072 nan 8.360 nan 0.000 0.462 377 V N 0.891 120.902 119.914 0.161 0.000 2.540 377 V HA 0.515 4.635 4.120 -0.000 0.000 0.302 377 V C -0.491 175.719 176.094 0.193 0.000 1.035 377 V CA -0.745 61.647 62.300 0.154 0.000 0.873 377 V CB 1.621 33.512 31.823 0.112 0.000 0.992 377 V HN 0.652 nan 8.190 nan 0.000 0.428 378 R N 3.758 124.390 120.500 0.219 0.000 2.358 378 R HA 0.397 4.737 4.340 -0.000 0.000 0.309 378 R C -0.808 175.563 176.300 0.119 0.000 1.026 378 R CA -0.424 55.807 56.100 0.219 0.000 0.909 378 R CB 0.634 31.177 30.300 0.404 0.000 1.153 378 R HN 0.719 nan 8.270 nan 0.000 0.515 379 N N 3.420 122.182 118.700 0.103 0.000 2.546 379 N HA 0.185 4.925 4.740 -0.000 0.000 0.238 379 N C 0.608 176.184 175.510 0.110 0.000 0.984 379 N CA -0.039 53.059 53.050 0.081 0.000 0.935 379 N CB 1.715 40.261 38.487 0.099 0.000 1.122 379 N HN 0.658 nan 8.380 nan 0.000 0.510 380 A N 4.081 126.977 122.820 0.126 0.000 1.884 380 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 380 A C 1.607 179.295 177.584 0.174 0.000 1.197 380 A CA 1.777 53.916 52.037 0.170 0.000 0.637 380 A CB -0.803 18.347 19.000 0.251 0.000 0.827 380 A HN 0.820 nan 8.150 nan 0.000 0.450 381 I N -2.112 118.572 120.570 0.190 0.000 3.826 381 I HA 0.418 4.588 4.170 -0.000 0.000 0.319 381 I C 0.837 177.036 176.117 0.137 0.000 1.394 381 I CA -0.281 61.125 61.300 0.177 0.000 1.197 381 I CB -0.890 37.242 38.000 0.220 0.000 1.096 381 I HN 0.132 nan 8.210 nan 0.000 0.409 382 G N 1.382 110.256 108.800 0.123 0.000 2.636 382 G HA2 0.465 4.425 3.960 -0.000 0.000 0.246 382 G HA3 0.465 4.425 3.960 -0.000 0.000 0.246 382 G C 0.439 175.400 174.900 0.101 0.000 1.216 382 G CA 0.088 45.256 45.100 0.113 0.000 0.854 382 G HN 0.697 nan 8.290 nan 0.000 0.572 383 R N 0.000 120.560 120.500 0.100 0.000 2.786 383 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 383 R CA 0.000 56.150 56.100 0.083 0.000 0.921 383 R CB 0.000 30.354 30.300 0.089 0.000 0.687 383 R HN 0.000 nan 8.270 nan 0.000 0.535