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 3c7g_1_A DATA FIRST_RESID 0 DATA SEQUENCE SATSTTIAKH IGNSNPLIDH HLGADPVALT YNGRVYIYMS SDDYEYNSNG DATA SEQUENCE TIKDNSFANL NRVFVISSAD MVNWTDHGAI PVAGANGANG GRGIAKWAGA DATA SEQUENCE SWAPSIAVKK INGKDKFFLY FANSGGGIGV LTADSPIGPW TDPIGKPLVT DATA SEQUENCE PSTPGMSGVV WLFDPAVFVD DDGTGYLYAG GGVPGVSNPT QGQWANPKTA DATA SEQUENCE RVIKLGPDMT SVVGSASTID APFMFEDSGL HKYNGTYYYS YCINFGGTHP DATA SEQUENCE ADKPPGEIGY MTSSSPMGPF TYRGHFLKNP GAFFGGGGNN HHAVFNFKNE DATA SEQUENCE WYVVYHAQTV SSALFGAGKG YRSPHINKLV HNADGSIQEV AANYAGVTQI DATA SEQUENCE SNLNPYNRVE AETFAWNGRI LTEKSTAPGG PVNNQHVTSI QNGDWIAVGN DATA SEQUENCE ADFGAGGARS FKANVASTLG GKIEVRLDSA DGKLVGTLNV PSTGGAQTWR DATA SEQUENCE EIETAVSGAT GVHKVFFVFT GTGTGNLFNF DYWQFTQR 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.612 174.600 0.020 0.000 1.055 0 S CA 0.000 58.194 58.200 -0.009 0.000 1.107 0 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 1 A N 2.569 125.379 122.820 -0.018 0.000 2.316 1 A HA 0.683 5.012 4.320 0.015 0.000 0.311 1 A C 1.057 178.682 177.584 0.068 0.000 1.339 1 A CA 0.305 52.368 52.037 0.044 0.000 0.960 1 A CB 0.211 19.117 19.000 -0.157 0.000 1.152 1 A HN 0.857 nan 8.150 nan 0.000 0.547 2 T N -0.988 113.662 114.554 0.159 0.000 2.978 2 T HA 0.136 4.495 4.350 0.015 0.000 0.248 2 T C 0.834 175.643 174.700 0.182 0.000 1.018 2 T CA 0.584 62.756 62.100 0.120 0.000 1.026 2 T CB -0.210 68.701 68.868 0.072 0.000 1.032 2 T HN 0.404 nan 8.240 nan 0.000 0.485 3 S N 3.164 119.023 115.700 0.264 0.000 2.572 3 S HA 0.445 4.924 4.470 0.015 0.000 0.279 3 S C 0.560 175.359 174.600 0.332 0.000 1.341 3 S CA -0.411 57.913 58.200 0.208 0.000 1.043 3 S CB 0.842 64.084 63.200 0.069 0.000 0.887 3 S HN 0.787 nan 8.310 nan 0.000 0.516 4 T N -0.696 113.978 114.554 0.199 0.000 2.943 4 T HA 0.582 4.941 4.350 0.015 0.000 0.284 4 T C 0.156 174.984 174.700 0.213 0.000 1.015 4 T CA -1.039 61.202 62.100 0.235 0.000 1.042 4 T CB 0.833 69.780 68.868 0.132 0.000 1.055 4 T HN 0.595 nan 8.240 nan 0.000 0.500 5 T N 0.396 115.139 114.554 0.315 0.000 2.919 5 T HA 0.345 4.704 4.350 0.015 0.000 0.302 5 T C 1.514 176.351 174.700 0.228 0.000 1.031 5 T CA -0.780 61.489 62.100 0.281 0.000 1.127 5 T CB 0.170 69.312 68.868 0.458 0.000 0.952 5 T HN 0.557 nan 8.240 nan 0.000 0.540 6 I N 1.520 122.156 120.570 0.111 0.000 2.163 6 I HA 0.006 4.186 4.170 0.015 0.000 0.240 6 I C 2.376 178.531 176.117 0.062 0.000 1.081 6 I CA 1.775 63.117 61.300 0.070 0.000 1.353 6 I CB -0.346 37.665 38.000 0.018 0.000 1.054 6 I HN 0.884 nan 8.210 nan 0.000 0.407 7 A N -1.258 121.497 122.820 -0.109 0.000 1.827 7 A HA 0.138 4.467 4.320 0.015 0.000 0.196 7 A C 1.000 178.210 177.584 -0.622 0.000 1.833 7 A CA -0.313 51.534 52.037 -0.317 0.000 1.363 7 A CB 0.151 19.118 19.000 -0.055 0.000 1.439 7 A HN 0.071 nan 8.150 nan 0.000 0.391 8 K N 2.522 122.761 120.400 -0.269 0.000 2.183 8 K HA 0.234 4.563 4.320 0.015 0.000 0.272 8 K C -0.900 175.749 176.600 0.082 0.000 1.113 8 K CA -0.425 55.823 56.287 -0.066 0.000 0.949 8 K CB -0.153 32.415 32.500 0.113 0.000 1.365 8 K HN 0.487 nan 8.250 nan 0.000 0.420 9 H N 3.096 122.292 119.070 0.210 0.000 2.551 9 H HA 0.119 4.684 4.556 0.016 0.000 0.358 9 H C 0.652 175.938 175.328 -0.070 0.000 1.151 9 H CA -0.560 55.551 56.048 0.105 0.000 1.374 9 H CB 0.679 30.452 29.762 0.017 0.000 1.473 9 H HN 0.466 nan 8.280 nan 0.000 0.574 10 I N 1.130 121.563 120.570 -0.228 0.000 2.826 10 I HA -0.092 4.088 4.170 0.015 0.000 0.295 10 I C 1.492 177.217 176.117 -0.655 0.000 1.213 10 I CA 1.569 62.258 61.300 -1.020 0.000 1.436 10 I CB 0.093 37.748 38.000 -0.575 0.000 1.348 10 I HN 0.973 nan 8.210 nan 0.000 0.570 11 G N 3.915 112.236 108.800 -0.798 0.000 2.234 11 G HA2 -0.240 3.729 3.960 0.015 0.000 0.235 11 G HA3 -0.240 3.729 3.960 0.015 0.000 0.235 11 G C 0.155 175.181 174.900 0.211 0.000 0.997 11 G CA -0.415 44.610 45.100 -0.124 0.000 0.623 11 G HN 0.551 nan 8.290 nan 0.000 0.514 12 N N 0.099 118.990 118.700 0.318 0.000 2.466 12 N HA 0.686 5.435 4.740 0.015 0.000 0.294 12 N C 0.739 176.548 175.510 0.497 0.000 1.129 12 N CA 0.104 53.374 53.050 0.366 0.000 0.931 12 N CB 1.735 40.397 38.487 0.292 0.000 1.193 12 N HN 0.027 nan 8.380 nan 0.000 0.500 13 S N 0.018 115.904 115.700 0.310 0.000 2.512 13 S HA 0.232 4.711 4.470 0.015 0.000 0.216 13 S C 0.009 174.658 174.600 0.082 0.000 1.006 13 S CA -0.146 58.190 58.200 0.227 0.000 0.915 13 S CB 0.138 63.460 63.200 0.202 0.000 0.824 13 S HN 0.475 nan 8.310 nan 0.000 0.497 14 N N 2.227 120.933 118.700 0.009 0.000 2.370 14 N HA 0.435 5.184 4.740 0.015 0.000 0.303 14 N C -2.947 172.416 175.510 -0.244 0.000 1.103 14 N CA -1.750 51.109 53.050 -0.318 0.000 0.848 14 N CB 1.243 39.381 38.487 -0.581 0.000 1.235 14 N HN 0.039 nan 8.380 nan 0.000 0.496 15 P HA 0.097 nan 4.420 nan 0.000 0.271 15 P C 1.019 178.122 177.300 -0.329 0.000 1.233 15 P CA -0.274 62.486 63.100 -0.568 0.000 0.789 15 P CB 1.164 32.714 31.700 -0.249 0.000 0.951 16 L N 0.357 121.337 121.223 -0.404 0.000 2.079 16 L HA -0.085 4.264 4.340 0.015 0.000 0.210 16 L C 1.398 177.982 176.870 -0.476 0.000 1.081 16 L CA 1.705 56.213 54.840 -0.553 0.000 0.752 16 L CB -0.792 40.609 42.059 -1.098 0.000 0.896 16 L HN 0.427 nan 8.230 nan 0.000 0.433 17 I N -3.942 116.398 120.570 -0.383 0.000 2.865 17 I HA 0.373 4.552 4.170 0.015 0.000 0.302 17 I C -0.837 175.195 176.117 -0.142 0.000 1.140 17 I CA -0.806 60.363 61.300 -0.218 0.000 1.021 17 I CB 2.179 39.958 38.000 -0.369 0.000 1.233 17 I HN -0.112 nan 8.210 nan 0.000 0.427 18 D N 1.059 121.467 120.400 0.013 0.000 2.562 18 D HA -0.014 4.635 4.640 0.015 0.000 0.246 18 D C 0.847 177.173 176.300 0.044 0.000 1.347 18 D CA 0.129 54.124 54.000 -0.009 0.000 0.800 18 D CB -0.345 40.461 40.800 0.010 0.000 1.111 18 D HN 0.790 nan 8.370 nan 0.000 0.508 19 H N -0.286 118.740 119.070 -0.073 0.000 2.575 19 H HA 0.230 4.796 4.556 0.015 0.000 0.267 19 H C -0.100 175.253 175.328 0.041 0.000 0.966 19 H CA 0.450 56.498 56.048 0.000 0.000 1.165 19 H CB -0.189 29.630 29.762 0.095 0.000 1.433 19 H HN 0.440 nan 8.280 nan 0.000 0.544 20 H N -1.238 117.487 119.070 -0.575 0.000 3.448 20 H HA 0.613 5.178 4.556 0.015 0.000 0.311 20 H C -0.767 174.425 175.328 -0.226 0.000 1.666 20 H CA -1.098 54.756 56.048 -0.324 0.000 1.221 20 H CB 0.805 30.299 29.762 -0.446 0.000 1.749 20 H HN -0.006 nan 8.280 nan 0.000 0.659 21 L N -0.636 120.638 121.223 0.085 0.000 2.416 21 L HA 0.746 5.095 4.340 0.015 0.000 0.263 21 L C 0.113 177.137 176.870 0.257 0.000 1.065 21 L CA -0.467 54.417 54.840 0.073 0.000 0.798 21 L CB 1.514 43.574 42.059 0.002 0.000 1.267 21 L HN 1.014 nan 8.230 nan 0.000 0.467 22 G N 0.025 108.895 108.800 0.117 0.000 2.378 22 G HA2 0.558 4.527 3.960 0.015 0.000 0.306 22 G HA3 0.558 4.527 3.960 0.015 0.000 0.306 22 G C -1.601 173.295 174.900 -0.006 0.000 1.413 22 G CA 0.030 45.207 45.100 0.127 0.000 1.123 22 G HN 0.763 nan 8.290 nan 0.000 0.587 23 A N 2.067 124.840 122.820 -0.079 0.000 2.313 23 A HA 0.863 5.192 4.320 0.015 0.000 0.323 23 A C 0.322 177.885 177.584 -0.034 0.000 1.133 23 A CA -0.108 51.880 52.037 -0.082 0.000 0.847 23 A CB 0.688 19.524 19.000 -0.274 0.000 1.308 23 A HN 1.189 nan 8.150 nan 0.000 0.475 24 D N -0.654 119.818 120.400 0.121 0.000 2.697 24 D HA -0.104 4.545 4.640 0.015 0.000 0.238 24 D C -2.378 173.881 176.300 -0.069 0.000 1.152 24 D CA 1.083 54.847 54.000 -0.393 0.000 0.666 24 D CB -1.748 38.583 40.800 -0.782 0.000 1.037 24 D HN 0.400 nan 8.370 nan 0.000 0.423 25 P HA 0.266 nan 4.420 nan 0.000 0.275 25 P C -0.070 177.318 177.300 0.146 0.000 1.228 25 P CA -0.332 62.820 63.100 0.087 0.000 0.786 25 P CB 1.768 33.495 31.700 0.045 0.000 0.927 26 V N 1.421 121.421 119.914 0.143 0.000 3.007 26 V HA 0.758 4.887 4.120 0.015 0.000 0.311 26 V C -1.184 174.991 176.094 0.135 0.000 1.120 26 V CA -0.995 61.400 62.300 0.158 0.000 0.980 26 V CB 2.186 34.115 31.823 0.177 0.000 1.033 26 V HN 0.772 nan 8.190 nan 0.000 0.429 27 A N 4.765 127.615 122.820 0.050 0.000 2.342 27 A HA 0.871 5.200 4.320 0.015 0.000 0.323 27 A C -1.360 176.278 177.584 0.091 0.000 1.125 27 A CA -0.534 51.422 52.037 -0.135 0.000 0.785 27 A CB 1.449 19.861 19.000 -0.979 0.000 1.221 27 A HN 1.131 nan 8.150 nan 0.000 0.463 28 L N 2.478 123.840 121.223 0.231 0.000 2.322 28 L HA 0.718 5.067 4.340 0.015 0.000 0.281 28 L C 0.266 177.337 176.870 0.334 0.000 1.014 28 L CA 0.178 55.218 54.840 0.334 0.000 0.815 28 L CB 1.996 44.331 42.059 0.460 0.000 1.247 28 L HN 0.748 nan 8.230 nan 0.000 0.421 29 T N 1.950 116.715 114.554 0.352 0.000 2.758 29 T HA 0.545 4.904 4.350 0.015 0.000 0.285 29 T C -0.895 174.116 174.700 0.519 0.000 0.981 29 T CA -0.431 61.909 62.100 0.400 0.000 0.965 29 T CB 0.695 69.841 68.868 0.464 0.000 0.927 29 T HN 0.583 nan 8.240 nan 0.000 0.448 30 Y N 3.006 123.548 120.300 0.403 0.000 2.323 30 Y HA 0.322 4.880 4.550 0.014 0.000 0.322 30 Y C -0.369 175.742 175.900 0.352 0.000 1.133 30 Y CA -0.690 57.636 58.100 0.377 0.000 1.093 30 Y CB 1.115 39.821 38.460 0.409 0.000 1.203 30 Y HN 0.819 nan 8.280 nan 0.000 0.427 31 N N 4.251 122.750 118.700 -0.335 0.000 2.714 31 N HA -0.196 4.553 4.740 0.015 0.000 0.252 31 N C 0.765 176.263 175.510 -0.021 0.000 1.014 31 N CA 2.038 54.905 53.050 -0.305 0.000 0.735 31 N CB -1.059 37.075 38.487 -0.589 0.000 0.924 31 N HN 1.416 nan 8.380 nan 0.000 0.540 32 G N -1.534 107.326 108.800 0.100 0.000 2.159 32 G HA2 -0.346 3.623 3.960 0.015 0.000 0.256 32 G HA3 -0.346 3.623 3.960 0.015 0.000 0.256 32 G C 0.061 175.151 174.900 0.317 0.000 0.977 32 G CA 0.530 45.724 45.100 0.156 0.000 0.652 32 G HN 0.629 nan 8.290 nan 0.000 0.531 33 R N -1.075 119.616 120.500 0.317 0.000 2.795 33 R HA 0.667 5.016 4.340 0.015 0.000 0.275 33 R C -0.954 175.164 176.300 -0.303 0.000 0.981 33 R CA -0.763 55.328 56.100 -0.014 0.000 0.917 33 R CB 2.768 32.877 30.300 -0.318 0.000 1.202 33 R HN 0.320 nan 8.270 nan 0.000 0.469 34 V N 3.831 123.168 119.914 -0.961 0.000 2.350 34 V HA 0.360 4.489 4.120 0.015 0.000 0.276 34 V C -1.136 174.677 176.094 -0.468 0.000 1.028 34 V CA -0.497 61.342 62.300 -0.768 0.000 0.860 34 V CB 0.436 31.578 31.823 -1.136 0.000 0.990 34 V HN 0.555 nan 8.190 nan 0.000 0.453 35 Y N 7.085 127.327 120.300 -0.096 0.000 2.359 35 Y HA 0.494 5.054 4.550 0.016 0.000 0.334 35 Y C 0.507 176.342 175.900 -0.108 0.000 1.058 35 Y CA -0.833 57.217 58.100 -0.085 0.000 1.244 35 Y CB 0.665 39.071 38.460 -0.090 0.000 1.187 35 Y HN 0.354 nan 8.280 nan 0.000 0.510 36 I N 4.722 125.256 120.570 -0.060 0.000 2.362 36 I HA 0.239 4.418 4.170 0.015 0.000 0.289 36 I C -0.757 175.270 176.117 -0.151 0.000 0.994 36 I CA -1.489 59.758 61.300 -0.088 0.000 1.158 36 I CB 0.517 38.377 38.000 -0.235 0.000 1.315 36 I HN 0.591 nan 8.210 nan 0.000 0.451 37 Y N 6.264 126.584 120.300 0.034 0.000 2.377 37 Y HA 0.682 5.243 4.550 0.018 0.000 0.339 37 Y C 0.198 176.100 175.900 0.004 0.000 1.011 37 Y CA -0.712 57.410 58.100 0.037 0.000 1.093 37 Y CB 2.140 40.618 38.460 0.030 0.000 1.201 37 Y HN 0.425 nan 8.280 nan 0.000 0.455 38 M N 1.094 120.766 119.600 0.120 0.000 2.484 38 M HA 0.336 4.825 4.480 0.015 0.000 0.289 38 M C -0.660 175.566 176.300 -0.124 0.000 1.206 38 M CA -0.690 54.616 55.300 0.010 0.000 0.892 38 M CB 2.380 35.004 32.600 0.041 0.000 1.712 38 M HN 0.514 nan 8.290 nan 0.000 0.462 39 S N 1.276 116.859 115.700 -0.196 0.000 2.552 39 S HA 0.050 4.529 4.470 0.015 0.000 0.289 39 S C 0.407 174.694 174.600 -0.522 0.000 1.304 39 S CA -0.299 57.708 58.200 -0.321 0.000 1.063 39 S CB 0.168 63.155 63.200 -0.354 0.000 0.848 39 S HN 0.700 nan 8.310 nan 0.000 0.499 40 S N 1.945 117.195 115.700 -0.750 0.000 4.183 40 S HA 0.136 4.615 4.470 0.015 0.000 0.195 40 S C -0.350 173.900 174.600 -0.583 0.000 1.421 40 S CA -0.868 56.513 58.200 -1.366 0.000 0.920 40 S CB -0.455 61.943 63.200 -1.336 0.000 1.525 40 S HN 0.564 nan 8.310 nan 0.000 0.447 41 D N 2.323 122.533 120.400 -0.317 0.000 2.488 41 D HA 0.341 4.990 4.640 0.015 0.000 0.238 41 D C -0.302 175.974 176.300 -0.040 0.000 1.138 41 D CA 1.166 55.108 54.000 -0.097 0.000 0.873 41 D CB 0.566 41.345 40.800 -0.035 0.000 1.183 41 D HN 0.545 nan 8.370 nan 0.000 0.458 42 D N 1.097 121.467 120.400 -0.049 0.000 2.812 42 D HA 0.068 4.717 4.640 0.015 0.000 0.210 42 D C -1.192 175.006 176.300 -0.171 0.000 1.260 42 D CA -0.518 53.398 54.000 -0.140 0.000 0.817 42 D CB 0.324 41.132 40.800 0.013 0.000 1.694 42 D HN 0.093 nan 8.370 nan 0.000 0.530 43 Y N 1.333 121.507 120.300 -0.210 0.000 2.610 43 Y HA 0.175 4.735 4.550 0.016 0.000 0.332 43 Y C 1.341 177.035 175.900 -0.344 0.000 1.201 43 Y CA 0.396 58.117 58.100 -0.631 0.000 1.465 43 Y CB 0.395 38.331 38.460 -0.873 0.000 1.283 43 Y HN 0.099 nan 8.280 nan 0.000 0.563 44 E N 2.254 122.420 120.200 -0.056 0.000 2.248 44 E HA 0.400 4.760 4.350 0.015 0.000 0.272 44 E C -1.463 174.973 176.600 -0.273 0.000 1.008 44 E CA -0.681 55.715 56.400 -0.006 0.000 0.856 44 E CB 1.063 30.825 29.700 0.103 0.000 1.120 44 E HN 0.499 nan 8.360 nan 0.000 0.397 45 Y N 0.647 120.970 120.300 0.039 0.000 2.462 45 Y HA 0.253 4.813 4.550 0.015 0.000 0.346 45 Y C 0.423 176.322 175.900 -0.001 0.000 0.976 45 Y CA -1.205 56.893 58.100 -0.003 0.000 1.044 45 Y CB 1.420 39.879 38.460 -0.002 0.000 1.230 45 Y HN 0.400 nan 8.280 nan 0.000 0.455 46 N N 0.195 118.974 118.700 0.130 0.000 2.399 46 N HA -0.014 4.735 4.740 0.015 0.000 0.250 46 N C 1.088 176.654 175.510 0.094 0.000 1.272 46 N CA 0.617 53.716 53.050 0.082 0.000 0.928 46 N CB 1.056 39.568 38.487 0.042 0.000 1.158 46 N HN 0.810 nan 8.380 nan 0.000 0.463 47 S N 0.363 116.097 115.700 0.056 0.000 2.440 47 S HA -0.198 4.281 4.470 0.015 0.000 0.238 47 S C 1.047 175.663 174.600 0.028 0.000 1.010 47 S CA 1.114 59.336 58.200 0.038 0.000 0.972 47 S CB -0.374 62.841 63.200 0.025 0.000 0.774 47 S HN 0.726 nan 8.310 nan 0.000 0.501 48 N N 1.271 119.991 118.700 0.033 0.000 2.383 48 N HA 0.231 4.980 4.740 0.015 0.000 0.192 48 N C 1.176 176.706 175.510 0.033 0.000 1.141 48 N CA 0.632 53.696 53.050 0.025 0.000 0.851 48 N CB -0.506 37.993 38.487 0.021 0.000 0.976 48 N HN 0.640 nan 8.380 nan 0.000 0.465 49 G N -0.624 108.211 108.800 0.059 0.000 2.157 49 G HA2 -0.285 3.684 3.960 0.015 0.000 0.248 49 G HA3 -0.285 3.684 3.960 0.015 0.000 0.248 49 G C 0.140 175.151 174.900 0.185 0.000 0.979 49 G CA 0.523 45.670 45.100 0.078 0.000 0.650 49 G HN 0.811 nan 8.290 nan 0.000 0.529 50 T N -0.653 113.975 114.554 0.123 0.000 2.899 50 T HA 0.717 5.076 4.350 0.015 0.000 0.284 50 T C 0.665 175.352 174.700 -0.021 0.000 1.004 50 T CA -0.933 61.197 62.100 0.049 0.000 1.043 50 T CB 1.887 70.754 68.868 -0.001 0.000 1.013 50 T HN 0.334 nan 8.240 nan 0.000 0.518 51 I N 2.557 122.976 120.570 -0.253 0.000 2.474 51 I HA 0.280 4.460 4.170 0.015 0.000 0.287 51 I C 0.821 176.773 176.117 -0.275 0.000 1.048 51 I CA -0.432 60.566 61.300 -0.503 0.000 1.383 51 I CB 0.764 38.137 38.000 -1.045 0.000 1.412 51 I HN 0.879 nan 8.210 nan 0.000 0.531 52 K N 3.958 124.253 120.400 -0.174 0.000 2.211 52 K HA 0.453 4.783 4.320 0.015 0.000 0.237 52 K C -0.766 175.838 176.600 0.007 0.000 1.002 52 K CA -0.917 55.326 56.287 -0.073 0.000 0.885 52 K CB 1.132 33.607 32.500 -0.041 0.000 1.136 52 K HN 0.243 nan 8.250 nan 0.000 0.448 53 D N 1.429 121.797 120.400 -0.054 0.000 2.449 53 D HA -0.049 4.600 4.640 0.015 0.000 0.236 53 D C -0.161 175.978 176.300 -0.269 0.000 1.149 53 D CA 0.217 54.130 54.000 -0.145 0.000 0.878 53 D CB 0.320 41.019 40.800 -0.169 0.000 1.198 53 D HN 0.459 nan 8.370 nan 0.000 0.446 54 N N 0.343 118.625 118.700 -0.697 0.000 2.411 54 N HA -0.090 4.659 4.740 0.015 0.000 0.265 54 N C 0.342 175.486 175.510 -0.609 0.000 1.266 54 N CA 0.261 52.845 53.050 -0.777 0.000 0.889 54 N CB 0.370 38.199 38.487 -1.096 0.000 1.069 54 N HN 0.257 nan 8.380 nan 0.000 0.476 55 S N 3.082 118.510 115.700 -0.453 0.000 2.578 55 S HA 0.184 4.664 4.470 0.015 0.000 0.231 55 S C 0.051 174.341 174.600 -0.517 0.000 0.994 55 S CA -0.429 57.447 58.200 -0.539 0.000 0.956 55 S CB -0.278 62.780 63.200 -0.238 0.000 0.870 55 S HN 0.471 nan 8.310 nan 0.000 0.494 56 F N -0.335 119.503 119.950 -0.186 0.000 2.840 56 F HA -0.285 4.252 4.527 0.016 0.000 0.310 56 F C 1.688 177.476 175.800 -0.021 0.000 0.688 56 F CA -0.265 57.604 58.000 -0.219 0.000 1.286 56 F CB -2.179 36.549 39.000 -0.452 0.000 1.612 56 F HN 0.405 nan 8.300 nan 0.000 0.335 57 A N -0.171 122.730 122.820 0.136 0.000 2.024 57 A HA -0.167 4.162 4.320 0.015 0.000 0.220 57 A C 1.991 179.645 177.584 0.117 0.000 1.164 57 A CA 2.101 54.216 52.037 0.130 0.000 0.643 57 A CB -0.342 18.709 19.000 0.084 0.000 0.806 57 A HN 0.460 nan 8.150 nan 0.000 0.451 58 N N -0.243 118.512 118.700 0.092 0.000 2.268 58 N HA 0.166 4.915 4.740 0.015 0.000 0.204 58 N C -0.184 175.317 175.510 -0.015 0.000 1.124 58 N CA 0.126 53.202 53.050 0.044 0.000 0.838 58 N CB 0.275 38.788 38.487 0.044 0.000 0.994 58 N HN 0.423 nan 8.380 nan 0.000 0.489 59 L N 1.962 123.202 121.223 0.028 0.000 2.480 59 L HA 0.173 4.522 4.340 0.015 0.000 0.243 59 L C 0.344 177.238 176.870 0.041 0.000 1.315 59 L CA -0.127 54.698 54.840 -0.024 0.000 1.231 59 L CB -0.588 41.415 42.059 -0.093 0.000 1.444 59 L HN 0.085 nan 8.230 nan 0.000 0.409 60 N N -0.214 118.442 118.700 -0.074 0.000 2.170 60 N HA 0.123 4.872 4.740 0.015 0.000 0.222 60 N C 0.217 175.607 175.510 -0.199 0.000 1.218 60 N CA -0.431 52.550 53.050 -0.116 0.000 0.889 60 N CB 0.666 39.105 38.487 -0.080 0.000 1.083 60 N HN 0.262 nan 8.380 nan 0.000 0.520 61 R N -0.703 119.653 120.500 -0.241 0.000 2.912 61 R HA 0.723 5.072 4.340 0.015 0.000 0.262 61 R C -1.348 174.753 176.300 -0.331 0.000 1.057 61 R CA -0.994 54.951 56.100 -0.258 0.000 0.981 61 R CB 2.293 32.496 30.300 -0.162 0.000 1.201 61 R HN -0.147 nan 8.270 nan 0.000 0.484 62 V N 2.444 122.214 119.914 -0.241 0.000 2.444 62 V HA 0.407 4.536 4.120 0.015 0.000 0.294 62 V C -0.996 175.123 176.094 0.041 0.000 1.022 62 V CA -0.664 61.533 62.300 -0.172 0.000 0.850 62 V CB 1.178 32.915 31.823 -0.143 0.000 0.992 62 V HN 0.458 nan 8.190 nan 0.000 0.426 63 F N 4.237 124.148 119.950 -0.065 0.000 2.412 63 F HA 0.575 5.111 4.527 0.015 0.000 0.348 63 F C 0.313 176.078 175.800 -0.058 0.000 1.102 63 F CA -0.920 57.042 58.000 -0.064 0.000 1.196 63 F CB 1.426 40.399 39.000 -0.045 0.000 1.144 63 F HN 0.137 nan 8.300 nan 0.000 0.541 64 V N 5.227 125.215 119.914 0.123 0.000 2.577 64 V HA 0.545 4.674 4.120 0.015 0.000 0.303 64 V C -0.123 175.992 176.094 0.035 0.000 1.042 64 V CA -0.808 61.460 62.300 -0.053 0.000 0.872 64 V CB 1.829 33.573 31.823 -0.132 0.000 0.998 64 V HN 0.616 nan 8.190 nan 0.000 0.423 65 I N 1.972 122.534 120.570 -0.012 0.000 3.002 65 I HA 1.036 5.215 4.170 0.015 0.000 0.310 65 I C -0.238 175.978 176.117 0.165 0.000 1.087 65 I CA -0.570 60.760 61.300 0.050 0.000 1.017 65 I CB 2.647 40.606 38.000 -0.069 0.000 1.226 65 I HN 0.667 nan 8.210 nan 0.000 0.443 66 S N 2.151 117.942 115.700 0.151 0.000 2.579 66 S HA 0.782 5.261 4.470 0.015 0.000 0.272 66 S C -0.886 173.522 174.600 -0.320 0.000 1.141 66 S CA -0.647 57.482 58.200 -0.118 0.000 0.843 66 S CB 1.773 64.643 63.200 -0.550 0.000 1.122 66 S HN 0.951 nan 8.310 nan 0.000 0.468 67 S N -0.451 114.846 115.700 -0.673 0.000 2.541 67 S HA 0.705 5.185 4.470 0.015 0.000 0.271 67 S C 0.309 174.577 174.600 -0.555 0.000 1.133 67 S CA -0.094 57.572 58.200 -0.889 0.000 0.876 67 S CB 1.423 63.506 63.200 -1.862 0.000 1.105 67 S HN 1.545 nan 8.310 nan 0.000 0.470 68 A N 2.132 124.753 122.820 -0.332 0.000 2.195 68 A HA 0.233 4.562 4.320 0.015 0.000 0.210 68 A C 0.785 178.389 177.584 0.033 0.000 1.165 68 A CA 1.186 53.199 52.037 -0.040 0.000 0.806 68 A CB -0.343 18.619 19.000 -0.064 0.000 0.847 68 A HN 0.877 nan 8.150 nan 0.000 0.482 69 D N -4.557 115.740 120.400 -0.171 0.000 2.516 69 D HA 0.148 4.797 4.640 0.015 0.000 0.241 69 D C 0.663 176.854 176.300 -0.181 0.000 1.246 69 D CA 0.206 54.129 54.000 -0.130 0.000 0.808 69 D CB 0.167 40.874 40.800 -0.155 0.000 1.147 69 D HN -0.024 nan 8.370 nan 0.000 0.527 70 M N -0.691 118.675 119.600 -0.390 0.000 2.961 70 M HA -0.191 4.298 4.480 0.015 0.000 0.198 70 M C 0.385 176.554 176.300 -0.217 0.000 0.610 70 M CA 0.697 55.826 55.300 -0.285 0.000 0.755 70 M CB -2.010 30.559 32.600 -0.052 0.000 2.707 70 M HN 0.249 nan 8.290 nan 0.000 0.299 71 V N -1.274 118.378 119.914 -0.437 0.000 3.103 71 V HA 0.206 4.336 4.120 0.015 0.000 0.229 71 V C 0.875 176.651 176.094 -0.531 0.000 1.304 71 V CA 0.498 62.614 62.300 -0.307 0.000 1.298 71 V CB 0.430 32.145 31.823 -0.180 0.000 1.093 71 V HN 0.366 nan 8.190 nan 0.000 0.489 72 N N 0.681 119.018 118.700 -0.605 0.000 2.408 72 N HA 0.209 4.958 4.740 0.015 0.000 0.257 72 N C -1.501 173.557 175.510 -0.753 0.000 1.064 72 N CA 0.013 52.750 53.050 -0.522 0.000 0.952 72 N CB 0.806 39.097 38.487 -0.327 0.000 1.093 72 N HN 0.352 nan 8.380 nan 0.000 0.490 73 W N 0.934 121.996 121.300 -0.397 0.000 2.417 73 W HA 0.250 4.919 4.660 0.014 0.000 0.315 73 W C 0.265 176.475 176.519 -0.515 0.000 1.045 73 W CA -0.614 56.476 57.345 -0.426 0.000 1.221 73 W CB 1.067 30.279 29.460 -0.413 0.000 1.309 73 W HN 0.166 nan 8.180 nan 0.000 0.453 74 T N 3.008 117.385 114.554 -0.295 0.000 2.794 74 T HA -0.007 4.352 4.350 0.015 0.000 0.296 74 T C -0.354 174.045 174.700 -0.503 0.000 0.949 74 T CA -0.181 61.654 62.100 -0.441 0.000 1.101 74 T CB 0.385 68.933 68.868 -0.533 0.000 0.905 74 T HN 0.220 nan 8.240 nan 0.000 0.516 75 D N 1.698 121.848 120.400 -0.417 0.000 2.316 75 D HA 0.051 4.700 4.640 0.015 0.000 0.245 75 D C 0.605 176.725 176.300 -0.301 0.000 1.171 75 D CA -0.291 53.554 54.000 -0.259 0.000 0.856 75 D CB 0.555 41.323 40.800 -0.054 0.000 1.090 75 D HN 0.576 nan 8.370 nan 0.000 0.476 76 H N 2.785 121.830 119.070 -0.042 0.000 2.529 76 H HA 0.215 4.780 4.556 0.016 0.000 0.277 76 H C 1.453 176.761 175.328 -0.034 0.000 1.004 76 H CA 0.519 56.548 56.048 -0.032 0.000 1.167 76 H CB 0.711 30.472 29.762 -0.003 0.000 1.445 76 H HN 0.711 nan 8.280 nan 0.000 0.554 77 G N 0.919 109.724 108.800 0.009 0.000 2.512 77 G HA2 -0.126 3.843 3.960 0.015 0.000 0.240 77 G HA3 -0.126 3.843 3.960 0.015 0.000 0.240 77 G C -0.545 174.351 174.900 -0.008 0.000 1.246 77 G CA -0.194 44.870 45.100 -0.061 0.000 0.919 77 G HN 0.612 nan 8.290 nan 0.000 0.577 78 A N -0.684 122.154 122.820 0.030 0.000 2.343 78 A HA 0.784 5.113 4.320 0.015 0.000 0.316 78 A C -0.097 177.532 177.584 0.075 0.000 1.104 78 A CA -0.446 51.675 52.037 0.141 0.000 0.768 78 A CB 0.961 20.075 19.000 0.191 0.000 1.213 78 A HN 1.158 nan 8.150 nan 0.000 0.456 79 I N 3.859 124.451 120.570 0.038 0.000 2.352 79 I HA 0.267 4.446 4.170 0.015 0.000 0.290 79 I C -1.810 174.239 176.117 -0.114 0.000 1.036 79 I CA -1.784 59.487 61.300 -0.048 0.000 1.336 79 I CB 1.633 39.501 38.000 -0.219 0.000 1.407 79 I HN 0.417 nan 8.210 nan 0.000 0.497 80 P HA 0.076 nan 4.420 nan 0.000 0.237 80 P C 0.944 178.117 177.300 -0.212 0.000 1.788 80 P CA -0.018 63.009 63.100 -0.121 0.000 1.061 80 P CB 0.393 32.053 31.700 -0.068 0.000 1.967 81 V N 1.878 121.592 119.914 -0.333 0.000 2.261 81 V HA -0.169 3.960 4.120 0.015 0.000 0.246 81 V C 1.551 177.330 176.094 -0.525 0.000 1.047 81 V CA 2.070 64.050 62.300 -0.533 0.000 1.015 81 V CB -1.138 30.186 31.823 -0.832 0.000 0.642 81 V HN 0.418 nan 8.190 nan 0.000 0.446 82 A N 0.157 122.709 122.820 -0.446 0.000 2.450 82 A HA 0.528 4.857 4.320 0.015 0.000 0.255 82 A C 1.120 178.546 177.584 -0.264 0.000 1.096 82 A CA 0.433 52.239 52.037 -0.386 0.000 0.778 82 A CB 0.478 19.311 19.000 -0.277 0.000 1.031 82 A HN 0.509 nan 8.150 nan 0.000 0.494 83 G N 0.976 109.621 108.800 -0.259 0.000 3.274 83 G HA2 0.456 4.425 3.960 0.015 0.000 0.250 83 G HA3 0.456 4.425 3.960 0.015 0.000 0.250 83 G C 0.526 175.361 174.900 -0.108 0.000 1.024 83 G CA 0.776 45.782 45.100 -0.157 0.000 0.840 83 G HN 1.171 nan 8.290 nan 0.000 0.522 84 A N 0.381 123.128 122.820 -0.123 0.000 2.316 84 A HA 0.567 4.896 4.320 0.015 0.000 0.284 84 A C 0.752 178.311 177.584 -0.042 0.000 1.115 84 A CA 0.073 52.075 52.037 -0.059 0.000 0.812 84 A CB -0.166 18.808 19.000 -0.043 0.000 1.064 84 A HN 0.550 nan 8.150 nan 0.000 0.489 85 N N -0.384 118.307 118.700 -0.016 0.000 2.776 85 N HA -0.160 4.589 4.740 0.015 0.000 0.249 85 N C 0.220 175.726 175.510 -0.007 0.000 1.111 85 N CA 0.703 53.749 53.050 -0.006 0.000 0.711 85 N CB -1.103 37.383 38.487 -0.001 0.000 1.065 85 N HN 1.340 nan 8.380 nan 0.000 0.556 86 G N -0.270 108.524 108.800 -0.011 0.000 5.061 86 G HA2 0.626 4.595 3.960 0.015 0.000 0.213 86 G HA3 0.626 4.595 3.960 0.015 0.000 0.213 86 G C -0.175 174.714 174.900 -0.019 0.000 1.463 86 G CA 0.516 45.605 45.100 -0.019 0.000 0.617 86 G HN 1.177 nan 8.290 nan 0.000 0.289 87 A N 0.767 123.575 122.820 -0.021 0.000 2.348 87 A HA -0.109 4.220 4.320 0.015 0.000 0.653 87 A C 0.969 178.526 177.584 -0.044 0.000 0.215 87 A CA 0.293 52.316 52.037 -0.024 0.000 0.165 87 A CB -1.182 17.811 19.000 -0.012 0.000 3.786 87 A HN 1.295 nan 8.150 nan 0.000 0.522 88 N N 0.986 119.655 118.700 -0.052 0.000 2.830 88 N HA -0.154 4.595 4.740 0.015 0.000 0.275 88 N C 1.349 176.844 175.510 -0.026 0.000 1.028 88 N CA 2.369 55.395 53.050 -0.041 0.000 0.886 88 N CB -0.844 37.607 38.487 -0.060 0.000 0.937 88 N HN 2.309 nan 8.380 nan 0.000 0.604 89 G N -1.074 107.716 108.800 -0.017 0.000 2.390 89 G HA2 -0.189 3.780 3.960 0.015 0.000 0.299 89 G HA3 -0.189 3.780 3.960 0.015 0.000 0.299 89 G C 1.083 175.977 174.900 -0.010 0.000 1.002 89 G CA 1.057 46.152 45.100 -0.009 0.000 0.979 89 G HN 0.997 nan 8.290 nan 0.000 0.513 90 G N -1.417 107.374 108.800 -0.015 0.000 2.612 90 G HA2 -0.190 3.779 3.960 0.015 0.000 0.200 90 G HA3 -0.190 3.779 3.960 0.015 0.000 0.200 90 G C 0.917 175.807 174.900 -0.017 0.000 1.053 90 G CA 0.730 45.823 45.100 -0.011 0.000 0.707 90 G HN 0.829 nan 8.290 nan 0.000 0.497 91 R N 0.773 121.258 120.500 -0.026 0.000 2.419 91 R HA 0.361 4.710 4.340 0.015 0.000 0.235 91 R C 1.044 177.325 176.300 -0.032 0.000 0.899 91 R CA 0.731 56.819 56.100 -0.021 0.000 1.048 91 R CB 0.922 31.211 30.300 -0.019 0.000 1.182 91 R HN 0.440 nan 8.270 nan 0.000 0.544 92 G N -0.205 108.564 108.800 -0.052 0.000 2.420 92 G HA2 0.428 4.397 3.960 0.015 0.000 0.331 92 G HA3 0.428 4.397 3.960 0.015 0.000 0.331 92 G C 0.217 175.057 174.900 -0.101 0.000 1.168 92 G CA -0.520 44.525 45.100 -0.092 0.000 0.936 92 G HN -0.020 nan 8.290 nan 0.000 0.479 93 I N 1.073 121.561 120.570 -0.136 0.000 3.039 93 I HA 0.188 4.367 4.170 0.015 0.000 0.270 93 I C 1.827 177.902 176.117 -0.070 0.000 1.150 93 I CA 0.261 61.521 61.300 -0.067 0.000 1.448 93 I CB 0.440 38.416 38.000 -0.040 0.000 1.197 93 I HN 0.461 nan 8.210 nan 0.000 0.450 94 A N 1.474 124.175 122.820 -0.199 0.000 2.506 94 A HA 0.230 4.559 4.320 0.015 0.000 0.320 94 A C 0.885 178.232 177.584 -0.395 0.000 1.424 94 A CA -0.370 51.494 52.037 -0.289 0.000 1.044 94 A CB 0.002 18.702 19.000 -0.501 0.000 1.140 94 A HN 0.025 nan 8.150 nan 0.000 0.538 95 K N 2.125 122.456 120.400 -0.114 0.000 2.283 95 K HA -0.105 4.224 4.320 0.015 0.000 0.202 95 K C 1.502 178.101 176.600 -0.002 0.000 1.048 95 K CA 1.115 57.378 56.287 -0.040 0.000 0.948 95 K CB -0.095 32.439 32.500 0.057 0.000 0.742 95 K HN 1.038 nan 8.250 nan 0.000 0.458 96 W N 0.594 121.919 121.300 0.042 0.000 2.770 96 W HA 0.320 4.990 4.660 0.016 0.000 0.256 96 W C 0.110 176.655 176.519 0.043 0.000 1.291 96 W CA -0.303 57.065 57.345 0.038 0.000 1.396 96 W CB -0.259 29.226 29.460 0.041 0.000 1.114 96 W HN -0.192 nan 8.180 nan 0.000 0.637 97 A N 1.575 124.020 122.820 -0.626 0.000 2.276 97 A HA 0.600 4.929 4.320 0.015 0.000 0.316 97 A C 1.110 178.514 177.584 -0.300 0.000 1.229 97 A CA 0.075 51.747 52.037 -0.608 0.000 0.851 97 A CB 1.007 19.351 19.000 -1.095 0.000 1.165 97 A HN 0.226 nan 8.150 nan 0.000 0.513 98 G N 1.011 109.719 108.800 -0.154 0.000 2.777 98 G HA2 0.448 4.417 3.960 0.015 0.000 0.211 98 G HA3 0.448 4.417 3.960 0.015 0.000 0.211 98 G C 0.487 175.322 174.900 -0.108 0.000 1.149 98 G CA 0.988 46.025 45.100 -0.105 0.000 0.785 98 G HN 1.425 nan 8.290 nan 0.000 0.536 99 A N -0.342 122.385 122.820 -0.154 0.000 2.587 99 A HA 0.709 5.038 4.320 0.015 0.000 0.293 99 A C -0.471 177.040 177.584 -0.122 0.000 1.087 99 A CA -0.077 51.893 52.037 -0.111 0.000 0.692 99 A CB 1.284 20.153 19.000 -0.219 0.000 1.291 99 A HN 0.750 nan 8.150 nan 0.000 0.407 100 S N 0.259 115.945 115.700 -0.024 0.000 2.293 100 S HA 0.480 4.959 4.470 0.015 0.000 0.154 100 S C -1.396 173.315 174.600 0.185 0.000 1.602 100 S CA -0.427 57.761 58.200 -0.020 0.000 1.260 100 S CB -0.244 62.672 63.200 -0.473 0.000 1.270 100 S HN 0.580 nan 8.310 nan 0.000 0.416 101 W N 1.597 122.892 121.300 -0.008 0.000 2.316 101 W HA 0.660 5.329 4.660 0.015 0.000 0.321 101 W C 0.834 177.300 176.519 -0.088 0.000 1.203 101 W CA -0.517 56.753 57.345 -0.124 0.000 1.214 101 W CB 0.378 29.743 29.460 -0.160 0.000 1.169 101 W HN 1.238 nan 8.180 nan 0.000 0.561 102 A N 3.110 125.943 122.820 0.021 0.000 2.546 102 A HA -0.146 4.184 4.320 0.015 0.000 0.295 102 A C -2.152 175.493 177.584 0.102 0.000 1.455 102 A CA -0.307 51.700 52.037 -0.051 0.000 0.730 102 A CB -2.070 16.878 19.000 -0.086 0.000 1.111 102 A HN 0.282 nan 8.150 nan 0.000 0.411 103 P HA 0.396 nan 4.420 nan 0.000 0.270 103 P C 0.166 177.561 177.300 0.157 0.000 1.223 103 P CA 0.305 63.489 63.100 0.140 0.000 0.785 103 P CB 1.383 33.130 31.700 0.079 0.000 0.923 104 S N 0.624 116.437 115.700 0.189 0.000 2.569 104 S HA 0.715 5.194 4.470 0.015 0.000 0.280 104 S C -1.280 173.437 174.600 0.195 0.000 1.111 104 S CA -0.654 57.663 58.200 0.196 0.000 0.887 104 S CB 0.702 64.034 63.200 0.218 0.000 1.095 104 S HN 0.363 nan 8.310 nan 0.000 0.476 105 I N 2.651 123.300 120.570 0.132 0.000 2.619 105 I HA 0.878 5.057 4.170 0.015 0.000 0.292 105 I C -0.838 175.419 176.117 0.233 0.000 1.100 105 I CA -0.242 61.076 61.300 0.030 0.000 1.043 105 I CB 1.637 39.369 38.000 -0.448 0.000 1.239 105 I HN 0.859 nan 8.210 nan 0.000 0.420 106 A N 5.792 128.820 122.820 0.346 0.000 2.498 106 A HA 0.851 5.180 4.320 0.015 0.000 0.298 106 A C -1.847 175.912 177.584 0.291 0.000 1.075 106 A CA -0.620 51.617 52.037 0.332 0.000 0.714 106 A CB 1.851 21.070 19.000 0.365 0.000 1.299 106 A HN 0.950 nan 8.150 nan 0.000 0.407 107 V N 0.993 120.985 119.914 0.130 0.000 2.680 107 V HA 0.845 4.974 4.120 0.015 0.000 0.309 107 V C -0.682 175.394 176.094 -0.030 0.000 1.052 107 V CA -0.549 61.648 62.300 -0.173 0.000 0.908 107 V CB 1.694 33.236 31.823 -0.468 0.000 1.001 107 V HN 1.016 nan 8.190 nan 0.000 0.431 108 K N 4.672 125.054 120.400 -0.029 0.000 2.513 108 K HA 0.458 4.787 4.320 0.015 0.000 0.251 108 K C -1.040 175.549 176.600 -0.019 0.000 0.939 108 K CA -0.758 55.548 56.287 0.032 0.000 0.793 108 K CB 1.875 34.437 32.500 0.103 0.000 1.241 108 K HN 0.712 nan 8.250 nan 0.000 0.431 109 K N 4.906 125.298 120.400 -0.012 0.000 2.349 109 K HA 0.243 4.572 4.320 0.015 0.000 0.289 109 K C -0.887 175.722 176.600 0.014 0.000 1.064 109 K CA -0.099 56.184 56.287 -0.008 0.000 0.947 109 K CB 0.326 32.833 32.500 0.012 0.000 1.007 109 K HN 0.480 nan 8.250 nan 0.000 0.478 110 I N 4.547 125.128 120.570 0.017 0.000 2.418 110 I HA 0.134 4.314 4.170 0.015 0.000 0.287 110 I C -0.363 175.765 176.117 0.018 0.000 1.008 110 I CA -0.872 60.446 61.300 0.030 0.000 1.104 110 I CB 1.668 39.708 38.000 0.067 0.000 1.264 110 I HN 0.741 nan 8.210 nan 0.000 0.438 111 N N 4.912 123.621 118.700 0.015 0.000 2.738 111 N HA -0.193 4.556 4.740 0.015 0.000 0.249 111 N C 0.926 176.442 175.510 0.010 0.000 1.047 111 N CA 1.212 54.269 53.050 0.011 0.000 0.707 111 N CB -1.182 37.312 38.487 0.010 0.000 0.937 111 N HN 1.197 nan 8.380 nan 0.000 0.545 112 G N -0.975 107.832 108.800 0.011 0.000 2.175 112 G HA2 -0.382 3.587 3.960 0.015 0.000 0.265 112 G HA3 -0.382 3.587 3.960 0.015 0.000 0.265 112 G C 0.005 174.914 174.900 0.015 0.000 0.979 112 G CA 1.139 46.247 45.100 0.013 0.000 0.663 112 G HN 0.741 nan 8.290 nan 0.000 0.533 113 K N 0.635 121.040 120.400 0.009 0.000 2.345 113 K HA 0.424 4.753 4.320 0.015 0.000 0.255 113 K C -1.028 175.559 176.600 -0.022 0.000 0.934 113 K CA -0.936 55.354 56.287 0.006 0.000 0.801 113 K CB 0.926 33.426 32.500 -0.000 0.000 1.137 113 K HN -0.027 nan 8.250 nan 0.000 0.424 114 D N 3.551 123.940 120.400 -0.018 0.000 2.417 114 D HA 0.034 4.683 4.640 0.015 0.000 0.250 114 D C -0.503 175.602 176.300 -0.326 0.000 1.166 114 D CA 0.652 54.554 54.000 -0.164 0.000 0.881 114 D CB 0.935 41.688 40.800 -0.079 0.000 1.164 114 D HN 0.304 nan 8.370 nan 0.000 0.467 115 K N 2.356 122.477 120.400 -0.466 0.000 2.259 115 K HA 0.438 4.767 4.320 0.015 0.000 0.252 115 K C -1.187 174.852 176.600 -0.935 0.000 0.936 115 K CA -0.664 55.313 56.287 -0.518 0.000 0.810 115 K CB 1.022 33.361 32.500 -0.269 0.000 1.143 115 K HN 0.148 nan 8.250 nan 0.000 0.427 116 F N 2.991 122.508 119.950 -0.723 0.000 2.508 116 F HA 0.507 5.045 4.527 0.019 0.000 0.325 116 F C -0.626 174.739 175.800 -0.726 0.000 1.090 116 F CA -0.725 56.950 58.000 -0.542 0.000 0.945 116 F CB 1.204 39.961 39.000 -0.406 0.000 1.156 116 F HN 0.304 nan 8.300 nan 0.000 0.463 117 F N 3.485 123.587 119.950 0.252 0.000 2.539 117 F HA 0.463 5.005 4.527 0.024 0.000 0.328 117 F C -0.891 174.869 175.800 -0.066 0.000 1.148 117 F CA -0.785 57.255 58.000 0.066 0.000 0.940 117 F CB 1.654 40.658 39.000 0.006 0.000 1.194 117 F HN 0.170 nan 8.300 nan 0.000 0.438 118 L N 5.214 126.383 121.223 -0.090 0.000 2.280 118 L HA 0.568 4.917 4.340 0.015 0.000 0.287 118 L C -1.457 175.277 176.870 -0.226 0.000 1.023 118 L CA -0.556 54.122 54.840 -0.270 0.000 0.819 118 L CB 0.218 41.839 42.059 -0.730 0.000 1.212 118 L HN 0.444 nan 8.230 nan 0.000 0.420 119 Y N 5.498 125.863 120.300 0.110 0.000 2.457 119 Y HA 0.720 5.280 4.550 0.016 0.000 0.333 119 Y C -0.237 175.778 175.900 0.191 0.000 1.119 119 Y CA -0.427 57.737 58.100 0.107 0.000 1.143 119 Y CB 1.520 40.020 38.460 0.066 0.000 1.230 119 Y HN 0.570 nan 8.280 nan 0.000 0.469 120 F N -0.931 119.132 119.950 0.188 0.000 2.719 120 F HA 0.880 5.418 4.527 0.018 0.000 0.309 120 F C -1.522 174.362 175.800 0.140 0.000 1.138 120 F CA -1.870 56.194 58.000 0.106 0.000 0.943 120 F CB 0.838 39.834 39.000 -0.008 0.000 1.304 120 F HN 0.508 nan 8.300 nan 0.000 0.445 121 A N 1.733 124.705 122.820 0.255 0.000 2.304 121 A HA 0.531 4.861 4.320 0.015 0.000 0.323 121 A C -0.796 176.830 177.584 0.070 0.000 1.195 121 A CA -0.740 51.380 52.037 0.139 0.000 0.826 121 A CB 0.595 19.720 19.000 0.208 0.000 1.184 121 A HN 0.757 nan 8.150 nan 0.000 0.496 122 N N 2.398 121.120 118.700 0.037 0.000 2.895 122 N HA 0.255 5.005 4.740 0.015 0.000 0.277 122 N C 0.553 175.838 175.510 -0.374 0.000 1.185 122 N CA 1.135 54.144 53.050 -0.070 0.000 1.106 122 N CB -0.841 37.743 38.487 0.161 0.000 1.422 122 N HN 0.692 nan 8.380 nan 0.000 0.521 123 S N 1.193 116.301 115.700 -0.987 0.000 3.938 123 S HA -0.250 4.229 4.470 0.015 0.000 0.624 123 S C 1.180 175.338 174.600 -0.737 0.000 2.186 123 S CA 1.206 58.374 58.200 -1.720 0.000 4.144 123 S CB -1.339 61.185 63.200 -1.127 0.000 0.230 123 S HN 0.655 nan 8.310 nan 0.000 0.755 124 G N 0.439 108.943 108.800 -0.493 0.000 3.284 124 G HA2 0.463 4.433 3.960 0.015 0.000 0.236 124 G HA3 0.463 4.433 3.960 0.015 0.000 0.236 124 G C 0.734 175.563 174.900 -0.119 0.000 1.158 124 G CA 0.771 45.705 45.100 -0.276 0.000 0.774 124 G HN 1.034 nan 8.290 nan 0.000 0.545 125 G N -0.835 107.905 108.800 -0.100 0.000 2.850 125 G HA2 0.499 4.468 3.960 0.015 0.000 0.211 125 G HA3 0.499 4.468 3.960 0.015 0.000 0.211 125 G C 0.532 175.436 174.900 0.006 0.000 1.124 125 G CA 0.575 45.656 45.100 -0.032 0.000 0.769 125 G HN 0.785 nan 8.290 nan 0.000 0.535 126 G N -0.442 108.376 108.800 0.030 0.000 2.368 126 G HA2 0.416 4.385 3.960 0.015 0.000 0.293 126 G HA3 0.416 4.385 3.960 0.015 0.000 0.293 126 G C -1.870 173.062 174.900 0.053 0.000 1.467 126 G CA -0.784 44.337 45.100 0.034 0.000 0.804 126 G HN 0.042 nan 8.290 nan 0.000 0.535 127 I N 0.984 121.554 120.570 0.001 0.000 2.404 127 I HA 0.649 4.828 4.170 0.015 0.000 0.293 127 I C 0.875 176.906 176.117 -0.143 0.000 0.992 127 I CA -0.465 60.805 61.300 -0.051 0.000 1.149 127 I CB 0.875 38.882 38.000 0.012 0.000 1.315 127 I HN 0.745 nan 8.210 nan 0.000 0.446 128 G N 4.031 112.554 108.800 -0.461 0.000 2.644 128 G HA2 0.663 4.632 3.960 0.015 0.000 0.307 128 G HA3 0.663 4.632 3.960 0.015 0.000 0.307 128 G C -1.432 173.173 174.900 -0.493 0.000 1.250 128 G CA -0.622 44.229 45.100 -0.415 0.000 0.996 128 G HN 0.420 nan 8.290 nan 0.000 0.489 129 V N 0.150 120.029 119.914 -0.057 0.000 2.808 129 V HA 0.703 4.833 4.120 0.015 0.000 0.308 129 V C -0.975 175.235 176.094 0.193 0.000 1.099 129 V CA -0.787 61.471 62.300 -0.070 0.000 0.920 129 V CB 1.610 33.288 31.823 -0.240 0.000 1.014 129 V HN 0.641 nan 8.190 nan 0.000 0.425 130 L N 4.933 126.255 121.223 0.165 0.000 2.322 130 L HA 0.832 5.181 4.340 0.015 0.000 0.269 130 L C 0.113 177.174 176.870 0.319 0.000 1.012 130 L CA -0.573 54.411 54.840 0.240 0.000 0.815 130 L CB 2.358 44.518 42.059 0.169 0.000 1.295 130 L HN 0.815 nan 8.230 nan 0.000 0.438 131 T N -1.167 113.588 114.554 0.335 0.000 2.908 131 T HA 0.911 5.270 4.350 0.015 0.000 0.290 131 T C -0.660 173.994 174.700 -0.075 0.000 1.034 131 T CA -0.681 61.466 62.100 0.079 0.000 1.010 131 T CB 2.375 71.210 68.868 -0.055 0.000 1.068 131 T HN 0.879 nan 8.240 nan 0.000 0.481 132 A N 0.950 123.514 122.820 -0.426 0.000 2.610 132 A HA 0.665 4.995 4.320 0.015 0.000 0.291 132 A C -0.435 176.917 177.584 -0.387 0.000 1.086 132 A CA -0.769 50.875 52.037 -0.654 0.000 0.677 132 A CB 1.092 19.131 19.000 -1.602 0.000 1.278 132 A HN 0.736 nan 8.150 nan 0.000 0.414 133 D N 0.648 120.850 120.400 -0.331 0.000 2.349 133 D HA 0.189 4.838 4.640 0.015 0.000 0.214 133 D C 0.504 176.709 176.300 -0.159 0.000 1.063 133 D CA 1.381 55.297 54.000 -0.140 0.000 0.847 133 D CB 0.552 41.272 40.800 -0.134 0.000 0.933 133 D HN 0.632 nan 8.370 nan 0.000 0.513 134 S N -0.466 114.901 115.700 -0.555 0.000 2.579 134 S HA 0.423 4.903 4.470 0.015 0.000 0.272 134 S C -2.533 171.114 174.600 -1.589 0.000 1.141 134 S CA -1.138 56.490 58.200 -0.953 0.000 0.843 134 S CB 2.674 65.541 63.200 -0.554 0.000 1.122 134 S HN -0.343 nan 8.310 nan 0.000 0.468 135 P HA 0.108 nan 4.420 nan 0.000 0.230 135 P C 1.065 178.058 177.300 -0.511 0.000 1.158 135 P CA 0.699 62.976 63.100 -1.371 0.000 0.769 135 P CB -0.409 30.331 31.700 -1.601 0.000 0.807 136 I N -6.177 114.076 120.570 -0.527 0.000 4.025 136 I HA 0.545 4.725 4.170 0.015 0.000 0.336 136 I C 0.679 176.672 176.117 -0.206 0.000 1.390 136 I CA -0.273 60.915 61.300 -0.188 0.000 1.099 136 I CB 0.062 37.876 38.000 -0.310 0.000 1.049 136 I HN -0.038 nan 8.210 nan 0.000 0.394 137 G N 2.427 110.764 108.800 -0.771 0.000 2.526 137 G HA2 -0.130 3.839 3.960 0.015 0.000 0.250 137 G HA3 -0.130 3.839 3.960 0.015 0.000 0.250 137 G C -2.991 171.551 174.900 -0.596 0.000 1.289 137 G CA -0.502 43.945 45.100 -1.088 0.000 0.947 137 G HN 0.201 nan 8.290 nan 0.000 0.517 138 P HA 0.408 nan 4.420 nan 0.000 0.272 138 P C -0.823 176.168 177.300 -0.516 0.000 1.230 138 P CA -0.014 62.881 63.100 -0.342 0.000 0.788 138 P CB 0.447 32.057 31.700 -0.151 0.000 0.949 139 W N -0.210 121.045 121.300 -0.076 0.000 2.570 139 W HA 0.463 5.131 4.660 0.013 0.000 0.337 139 W C 0.084 176.576 176.519 -0.045 0.000 1.067 139 W CA -0.097 57.207 57.345 -0.069 0.000 1.229 139 W CB 1.336 30.755 29.460 -0.067 0.000 1.355 139 W HN 0.107 nan 8.180 nan 0.000 0.555 140 T N 1.553 116.231 114.554 0.207 0.000 2.863 140 T HA 0.135 4.494 4.350 0.015 0.000 0.285 140 T C -1.355 173.454 174.700 0.183 0.000 1.009 140 T CA -0.615 61.567 62.100 0.137 0.000 0.989 140 T CB 1.425 70.333 68.868 0.066 0.000 1.004 140 T HN 0.233 nan 8.240 nan 0.000 0.455 141 D N 3.388 123.889 120.400 0.168 0.000 2.456 141 D HA 0.268 4.917 4.640 0.015 0.000 0.219 141 D C -0.925 175.480 176.300 0.175 0.000 1.126 141 D CA -2.324 51.806 54.000 0.216 0.000 0.890 141 D CB 1.150 42.104 40.800 0.258 0.000 1.025 141 D HN 0.127 nan 8.370 nan 0.000 0.511 142 P HA -0.077 nan 4.420 nan 0.000 0.221 142 P C 1.133 178.487 177.300 0.091 0.000 1.145 142 P CA 0.865 64.032 63.100 0.111 0.000 0.795 142 P CB 0.779 32.548 31.700 0.116 0.000 0.775 143 I N -2.370 118.261 120.570 0.101 0.000 3.673 143 I HA 0.199 4.378 4.170 0.015 0.000 0.281 143 I C 1.591 177.721 176.117 0.022 0.000 1.182 143 I CA 0.749 62.069 61.300 0.033 0.000 1.391 143 I CB -0.262 37.730 38.000 -0.014 0.000 1.383 143 I HN -0.013 nan 8.210 nan 0.000 0.456 144 G N 2.238 111.105 108.800 0.112 0.000 2.162 144 G HA2 -0.262 3.707 3.960 0.015 0.000 0.260 144 G HA3 -0.262 3.707 3.960 0.015 0.000 0.260 144 G C 0.146 174.994 174.900 -0.086 0.000 0.976 144 G CA 0.484 45.684 45.100 0.165 0.000 0.655 144 G HN 0.389 nan 8.290 nan 0.000 0.533 145 K N -0.244 119.825 120.400 -0.551 0.000 2.548 145 K HA 0.518 4.847 4.320 0.015 0.000 0.282 145 K C -2.835 172.848 176.600 -1.529 0.000 1.006 145 K CA -2.051 53.582 56.287 -1.089 0.000 0.892 145 K CB 2.595 34.793 32.500 -0.504 0.000 1.499 145 K HN -0.074 nan 8.250 nan 0.000 0.433 146 P HA -0.055 nan 4.420 nan 0.000 0.267 146 P C 0.250 177.242 177.300 -0.513 0.000 1.200 146 P CA -0.059 62.345 63.100 -1.160 0.000 0.772 146 P CB 0.624 31.890 31.700 -0.722 0.000 0.855 147 L N 4.032 125.079 121.223 -0.293 0.000 2.072 147 L HA 0.023 4.372 4.340 0.015 0.000 0.205 147 L C 0.406 177.206 176.870 -0.118 0.000 1.079 147 L CA 1.775 56.531 54.840 -0.140 0.000 0.752 147 L CB 0.138 42.181 42.059 -0.025 0.000 0.906 147 L HN 0.113 nan 8.230 nan 0.000 0.436 148 V N -0.144 119.703 119.914 -0.112 0.000 2.638 148 V HA 0.547 4.676 4.120 0.015 0.000 0.306 148 V C -0.147 175.897 176.094 -0.083 0.000 1.052 148 V CA -0.029 62.225 62.300 -0.077 0.000 0.885 148 V CB 1.567 33.368 31.823 -0.035 0.000 0.999 148 V HN 0.436 nan 8.190 nan 0.000 0.424 149 T N 1.884 116.392 114.554 -0.076 0.000 2.864 149 T HA 0.540 4.899 4.350 0.015 0.000 0.289 149 T C -2.459 172.216 174.700 -0.041 0.000 1.082 149 T CA -2.120 59.942 62.100 -0.063 0.000 1.009 149 T CB 2.214 71.033 68.868 -0.082 0.000 1.234 149 T HN 0.302 nan 8.240 nan 0.000 0.526 150 P HA 0.026 nan 4.420 nan 0.000 0.223 150 P C 1.170 178.450 177.300 -0.034 0.000 1.144 150 P CA 0.776 63.859 63.100 -0.028 0.000 0.783 150 P CB -0.031 31.655 31.700 -0.023 0.000 0.771 151 S N -2.346 113.329 115.700 -0.041 0.000 2.558 151 S HA 0.032 4.511 4.470 0.015 0.000 0.217 151 S C 0.796 175.369 174.600 -0.045 0.000 0.975 151 S CA 0.380 58.555 58.200 -0.042 0.000 0.912 151 S CB -0.684 62.488 63.200 -0.046 0.000 0.776 151 S HN 0.190 nan 8.310 nan 0.000 0.526 152 T N 4.929 119.454 114.554 -0.049 0.000 2.902 152 T HA 0.139 4.498 4.350 0.015 0.000 0.301 152 T C -2.561 172.113 174.700 -0.043 0.000 1.012 152 T CA -0.763 61.307 62.100 -0.049 0.000 1.151 152 T CB 0.355 69.192 68.868 -0.052 0.000 0.946 152 T HN 0.042 nan 8.240 nan 0.000 0.542 153 P HA 0.174 nan 4.420 nan 0.000 0.262 153 P C 1.057 178.333 177.300 -0.040 0.000 1.182 153 P CA 0.854 63.931 63.100 -0.040 0.000 0.761 153 P CB 0.208 31.885 31.700 -0.039 0.000 0.795 154 G N 3.028 111.805 108.800 -0.038 0.000 2.217 154 G HA2 -0.279 3.690 3.960 0.015 0.000 0.246 154 G HA3 -0.279 3.690 3.960 0.015 0.000 0.246 154 G C 0.827 175.704 174.900 -0.038 0.000 0.990 154 G CA -0.011 45.065 45.100 -0.039 0.000 0.627 154 G HN 0.419 nan 8.290 nan 0.000 0.522 155 M N 1.752 121.331 119.600 -0.035 0.000 2.502 155 M HA 0.220 4.710 4.480 0.015 0.000 0.243 155 M C 1.701 177.984 176.300 -0.029 0.000 1.130 155 M CA 0.913 56.195 55.300 -0.029 0.000 1.055 155 M CB -0.388 32.196 32.600 -0.026 0.000 1.457 155 M HN 0.675 nan 8.290 nan 0.000 0.488 156 S N 0.001 115.681 115.700 -0.034 0.000 2.576 156 S HA 0.477 4.956 4.470 0.015 0.000 0.276 156 S C 1.319 175.894 174.600 -0.042 0.000 1.339 156 S CA 0.487 58.666 58.200 -0.036 0.000 1.039 156 S CB 1.088 64.267 63.200 -0.036 0.000 0.902 156 S HN 0.661 nan 8.310 nan 0.000 0.516 157 G N 0.800 109.571 108.800 -0.048 0.000 2.213 157 G HA2 -0.227 3.742 3.960 0.015 0.000 0.236 157 G HA3 -0.227 3.742 3.960 0.015 0.000 0.236 157 G C 0.019 174.878 174.900 -0.067 0.000 0.991 157 G CA -0.120 44.944 45.100 -0.060 0.000 0.629 157 G HN 1.217 nan 8.290 nan 0.000 0.517 158 V N 1.760 121.643 119.914 -0.051 0.000 2.508 158 V HA 0.317 4.446 4.120 0.015 0.000 0.281 158 V C 1.830 177.882 176.094 -0.071 0.000 1.041 158 V CA 0.316 62.589 62.300 -0.046 0.000 1.016 158 V CB 1.454 33.273 31.823 -0.007 0.000 0.984 158 V HN 0.150 nan 8.190 nan 0.000 0.478 159 V N 4.320 124.152 119.914 -0.138 0.000 2.302 159 V HA -0.007 4.122 4.120 0.015 0.000 0.243 159 V C 0.349 176.370 176.094 -0.122 0.000 1.036 159 V CA 1.175 63.340 62.300 -0.224 0.000 1.020 159 V CB -0.014 31.535 31.823 -0.457 0.000 0.657 159 V HN 0.806 nan 8.190 nan 0.000 0.453 160 W N 0.628 121.772 121.300 -0.260 0.000 2.336 160 W HA 0.488 5.156 4.660 0.014 0.000 0.315 160 W C -0.623 175.652 176.519 -0.406 0.000 1.016 160 W CA -1.709 55.306 57.345 -0.550 0.000 1.318 160 W CB 0.976 29.735 29.460 -1.168 0.000 1.247 160 W HN -0.020 nan 8.180 nan 0.000 0.414 161 L N 7.752 128.970 121.223 -0.009 0.000 2.399 161 L HA 0.316 4.665 4.340 0.015 0.000 0.257 161 L C -0.453 176.562 176.870 0.242 0.000 1.236 161 L CA -0.187 54.714 54.840 0.101 0.000 1.144 161 L CB -1.510 40.580 42.059 0.053 0.000 1.379 161 L HN 0.301 nan 8.230 nan 0.000 0.414 162 F N -1.046 118.999 119.950 0.158 0.000 3.168 162 F HA 0.470 5.005 4.527 0.014 0.000 0.330 162 F C -0.499 175.424 175.800 0.206 0.000 1.220 162 F CA -1.476 56.618 58.000 0.157 0.000 0.960 162 F CB 0.648 39.741 39.000 0.155 0.000 1.501 162 F HN -0.058 nan 8.300 nan 0.000 0.521 163 D N 1.615 122.077 120.400 0.103 0.000 2.803 163 D HA -0.096 4.553 4.640 0.015 0.000 0.233 163 D C -2.515 173.897 176.300 0.187 0.000 1.182 163 D CA 0.495 54.516 54.000 0.035 0.000 0.726 163 D CB -1.115 39.607 40.800 -0.130 0.000 0.987 163 D HN 0.326 nan 8.370 nan 0.000 0.412 164 P HA 0.376 nan 4.420 nan 0.000 0.275 164 P C -0.892 176.520 177.300 0.187 0.000 1.228 164 P CA -0.372 62.840 63.100 0.187 0.000 0.786 164 P CB 1.410 33.206 31.700 0.160 0.000 0.927 165 A N 2.730 125.681 122.820 0.219 0.000 2.353 165 A HA 0.540 4.869 4.320 0.015 0.000 0.299 165 A C -0.951 176.794 177.584 0.269 0.000 1.089 165 A CA -0.639 51.535 52.037 0.229 0.000 0.736 165 A CB 1.131 20.258 19.000 0.212 0.000 1.195 165 A HN 0.294 nan 8.150 nan 0.000 0.447 166 V N 2.890 122.896 119.914 0.153 0.000 2.417 166 V HA 0.565 4.695 4.120 0.015 0.000 0.291 166 V C -0.980 175.304 176.094 0.317 0.000 1.024 166 V CA -0.345 62.002 62.300 0.077 0.000 0.861 166 V CB 1.264 32.790 31.823 -0.495 0.000 0.985 166 V HN 0.794 nan 8.190 nan 0.000 0.436 167 F N 5.663 125.775 119.950 0.270 0.000 2.493 167 F HA 0.705 5.236 4.527 0.007 0.000 0.329 167 F C -0.479 175.516 175.800 0.326 0.000 1.126 167 F CA -0.728 57.473 58.000 0.336 0.000 0.937 167 F CB 1.729 40.998 39.000 0.447 0.000 1.146 167 F HN 0.252 nan 8.300 nan 0.000 0.442 168 V N 5.823 125.559 119.914 -0.296 0.000 2.364 168 V HA 0.195 4.325 4.120 0.015 0.000 0.272 168 V C 0.013 175.716 176.094 -0.652 0.000 1.036 168 V CA -0.573 61.548 62.300 -0.299 0.000 0.880 168 V CB 0.903 32.658 31.823 -0.114 0.000 0.991 168 V HN 0.679 nan 8.190 nan 0.000 0.460 169 D N 2.949 123.159 120.400 -0.318 0.000 2.358 169 D HA 0.073 4.722 4.640 0.015 0.000 0.244 169 D C 1.102 177.412 176.300 0.017 0.000 1.163 169 D CA -0.364 53.587 54.000 -0.082 0.000 0.945 169 D CB 1.168 42.242 40.800 0.455 0.000 1.152 169 D HN 0.541 nan 8.370 nan 0.000 0.451 170 D N 0.057 120.533 120.400 0.126 0.000 2.190 170 D HA -0.186 4.464 4.640 0.015 0.000 0.200 170 D C 1.031 177.385 176.300 0.090 0.000 0.992 170 D CA 1.037 55.101 54.000 0.106 0.000 0.854 170 D CB -0.021 40.859 40.800 0.133 0.000 0.936 170 D HN 0.562 nan 8.370 nan 0.000 0.462 171 D N -0.810 119.660 120.400 0.117 0.000 2.363 171 D HA 0.040 4.689 4.640 0.015 0.000 0.226 171 D C 1.529 177.862 176.300 0.055 0.000 1.020 171 D CA 0.924 54.977 54.000 0.089 0.000 0.892 171 D CB -0.153 40.713 40.800 0.109 0.000 0.900 171 D HN 0.253 nan 8.370 nan 0.000 0.531 172 G N -0.686 108.137 108.800 0.038 0.000 2.175 172 G HA2 -0.246 3.723 3.960 0.015 0.000 0.244 172 G HA3 -0.246 3.723 3.960 0.015 0.000 0.244 172 G C 0.303 175.184 174.900 -0.031 0.000 0.982 172 G CA 0.262 45.362 45.100 0.000 0.000 0.641 172 G HN 0.450 nan 8.290 nan 0.000 0.527 173 T N 1.578 116.128 114.554 -0.008 0.000 2.794 173 T HA 0.548 4.908 4.350 0.015 0.000 0.296 173 T C 0.894 175.486 174.700 -0.180 0.000 0.949 173 T CA 0.433 62.463 62.100 -0.116 0.000 1.101 173 T CB 1.593 70.403 68.868 -0.096 0.000 0.905 173 T HN 0.978 nan 8.240 nan 0.000 0.516 174 G N 2.129 110.753 108.800 -0.293 0.000 2.444 174 G HA2 0.540 4.509 3.960 0.015 0.000 0.268 174 G HA3 0.540 4.509 3.960 0.015 0.000 0.268 174 G C -1.379 173.228 174.900 -0.488 0.000 1.203 174 G CA -0.385 44.574 45.100 -0.235 0.000 0.835 174 G HN 0.649 nan 8.290 nan 0.000 0.543 175 Y N -0.111 120.247 120.300 0.095 0.000 2.477 175 Y HA 0.478 5.023 4.550 -0.007 0.000 0.347 175 Y C -0.299 175.601 175.900 0.001 0.000 0.981 175 Y CA -0.994 57.127 58.100 0.036 0.000 1.033 175 Y CB 2.611 41.162 38.460 0.151 0.000 1.245 175 Y HN 0.513 nan 8.280 nan 0.000 0.455 176 L N 3.771 124.962 121.223 -0.053 0.000 2.305 176 L HA 0.581 4.931 4.340 0.015 0.000 0.284 176 L C -1.896 174.860 176.870 -0.189 0.000 1.013 176 L CA -0.896 53.901 54.840 -0.072 0.000 0.819 176 L CB 0.299 42.277 42.059 -0.136 0.000 1.227 176 L HN 0.507 nan 8.230 nan 0.000 0.417 177 Y N 4.404 124.772 120.300 0.113 0.000 2.360 177 Y HA 0.849 5.409 4.550 0.017 0.000 0.337 177 Y C 0.446 176.434 175.900 0.148 0.000 1.039 177 Y CA -0.104 58.082 58.100 0.143 0.000 1.109 177 Y CB 1.886 40.498 38.460 0.253 0.000 1.201 177 Y HN 0.862 nan 8.280 nan 0.000 0.458 178 A N 1.326 124.301 122.820 0.257 0.000 2.564 178 A HA 0.888 5.217 4.320 0.015 0.000 0.291 178 A C -0.224 177.512 177.584 0.254 0.000 1.102 178 A CA -0.190 51.997 52.037 0.250 0.000 0.660 178 A CB 1.145 20.250 19.000 0.174 0.000 1.283 178 A HN 1.533 nan 8.150 nan 0.000 0.430 179 G N -1.573 107.425 108.800 0.330 0.000 2.409 179 G HA2 0.655 4.624 3.960 0.015 0.000 0.421 179 G HA3 0.655 4.624 3.960 0.015 0.000 0.421 179 G C 0.735 175.893 174.900 0.429 0.000 1.259 179 G CA 0.855 46.134 45.100 0.299 0.000 1.011 179 G HN 3.116 nan 8.290 nan 0.000 0.497 180 G N -2.304 106.657 108.800 0.268 0.000 2.315 180 G HA2 0.599 4.569 3.960 0.015 0.000 0.296 180 G HA3 0.599 4.569 3.960 0.015 0.000 0.296 180 G C 0.972 175.855 174.900 -0.028 0.000 1.289 180 G CA 1.301 46.564 45.100 0.272 0.000 0.996 180 G HN 3.210 nan 8.290 nan 0.000 0.487 181 G N -2.674 105.965 108.800 -0.268 0.000 2.730 181 G HA2 0.390 4.359 3.960 0.015 0.000 0.686 181 G HA3 0.390 4.359 3.960 0.015 0.000 0.686 181 G C -0.600 174.014 174.900 -0.478 0.000 1.343 181 G CA 0.325 44.767 45.100 -1.097 0.000 0.826 181 G HN 1.921 nan 8.290 nan 0.000 0.582 182 V N 2.911 122.515 119.914 -0.517 0.000 2.531 182 V HA 0.667 4.796 4.120 0.015 0.000 0.301 182 V C -1.627 174.225 176.094 -0.403 0.000 1.034 182 V CA -0.941 61.153 62.300 -0.343 0.000 0.865 182 V CB 2.085 33.687 31.823 -0.369 0.000 0.995 182 V HN 0.873 nan 8.190 nan 0.000 0.424 183 P HA 0.403 nan 4.420 nan 0.000 0.274 183 P C 0.681 177.800 177.300 -0.301 0.000 1.246 183 P CA 0.530 63.466 63.100 -0.274 0.000 0.795 183 P CB 1.226 32.800 31.700 -0.210 0.000 1.006 184 G N -0.401 108.266 108.800 -0.222 0.000 2.168 184 G HA2 -0.073 3.896 3.960 0.015 0.000 0.197 184 G HA3 -0.073 3.896 3.960 0.015 0.000 0.197 184 G C 0.331 175.137 174.900 -0.157 0.000 0.997 184 G CA 0.546 45.529 45.100 -0.197 0.000 0.658 184 G HN 0.886 nan 8.290 nan 0.000 0.513 185 V N -2.111 117.718 119.914 -0.141 0.000 0.690 185 V HA -0.430 3.699 4.120 0.015 0.000 0.092 185 V C 2.373 178.445 176.094 -0.036 0.000 0.789 185 V CA 3.592 65.851 62.300 -0.068 0.000 3.100 185 V CB -1.792 30.015 31.823 -0.026 0.000 0.195 185 V HN 2.307 nan 8.190 nan 0.000 0.099 186 S N 0.779 116.486 115.700 0.012 0.000 2.515 186 S HA 0.116 4.595 4.470 0.015 0.000 0.231 186 S C 0.760 175.400 174.600 0.066 0.000 0.987 186 S CA 1.435 59.670 58.200 0.059 0.000 0.936 186 S CB -0.770 62.467 63.200 0.063 0.000 0.766 186 S HN 1.198 nan 8.310 nan 0.000 0.528 187 N N 1.973 120.679 118.700 0.011 0.000 2.711 187 N HA 0.450 5.199 4.740 0.015 0.000 0.263 187 N C -3.219 172.251 175.510 -0.067 0.000 1.667 187 N CA -1.282 51.785 53.050 0.028 0.000 0.785 187 N CB 1.371 39.882 38.487 0.040 0.000 1.231 187 N HN 0.199 nan 8.380 nan 0.000 0.503 188 P HA 0.037 nan 4.420 nan 0.000 0.269 188 P C 0.251 177.421 177.300 -0.217 0.000 1.209 188 P CA -0.097 62.729 63.100 -0.457 0.000 0.776 188 P CB 0.499 31.462 31.700 -1.230 0.000 0.876 189 T N -0.749 113.714 114.554 -0.152 0.000 2.766 189 T HA 0.021 4.381 4.350 0.015 0.000 0.295 189 T C 1.299 176.047 174.700 0.080 0.000 1.024 189 T CA -0.233 61.861 62.100 -0.011 0.000 1.018 189 T CB 0.453 69.300 68.868 -0.034 0.000 1.002 189 T HN 0.272 nan 8.240 nan 0.000 0.532 190 Q N 1.416 121.324 119.800 0.179 0.000 2.096 190 Q HA -0.063 4.286 4.340 0.015 0.000 0.208 190 Q C 2.326 178.379 176.000 0.088 0.000 0.993 190 Q CA 2.647 58.587 55.803 0.229 0.000 0.862 190 Q CB -1.254 27.566 28.738 0.137 0.000 0.915 190 Q HN 0.983 nan 8.270 nan 0.000 0.416 191 G N -0.717 108.074 108.800 -0.015 0.000 2.448 191 G HA2 -0.229 3.740 3.960 0.015 0.000 0.218 191 G HA3 -0.229 3.740 3.960 0.015 0.000 0.218 191 G C 1.234 176.036 174.900 -0.162 0.000 1.135 191 G CA 0.614 45.654 45.100 -0.100 0.000 0.784 191 G HN 0.449 nan 8.290 nan 0.000 0.543 192 Q N -0.722 118.976 119.800 -0.170 0.000 2.083 192 Q HA -0.088 4.262 4.340 0.015 0.000 0.198 192 Q C 2.306 178.138 176.000 -0.280 0.000 0.969 192 Q CA 0.987 56.636 55.803 -0.257 0.000 0.838 192 Q CB -0.187 28.354 28.738 -0.328 0.000 0.900 192 Q HN 0.729 nan 8.270 nan 0.000 0.436 193 W N 0.705 121.909 121.300 -0.160 0.000 2.318 193 W HA -0.251 4.418 4.660 0.015 0.000 0.313 193 W C 2.521 178.664 176.519 -0.627 0.000 1.221 193 W CA 0.952 58.191 57.345 -0.177 0.000 1.266 193 W CB -0.233 29.226 29.460 -0.002 0.000 1.150 193 W HN 0.176 nan 8.180 nan 0.000 0.496 194 A N -0.206 122.190 122.820 -0.708 0.000 1.929 194 A HA -0.090 4.239 4.320 0.015 0.000 0.216 194 A C 0.534 177.624 177.584 -0.824 0.000 1.176 194 A CA 1.345 52.443 52.037 -1.566 0.000 0.628 194 A CB -0.598 17.841 19.000 -0.935 0.000 0.816 194 A HN 0.348 nan 8.150 nan 0.000 0.444 195 N N -0.991 117.453 118.700 -0.428 0.000 2.790 195 N HA 0.334 5.083 4.740 0.015 0.000 0.256 195 N C -2.602 172.794 175.510 -0.190 0.000 1.409 195 N CA -1.050 51.845 53.050 -0.259 0.000 0.799 195 N CB 1.652 40.020 38.487 -0.197 0.000 1.170 195 N HN 0.021 nan 8.380 nan 0.000 0.507 196 P HA -0.148 nan 4.420 nan 0.000 0.218 196 P C -0.441 176.788 177.300 -0.118 0.000 1.149 196 P CA 0.907 63.928 63.100 -0.133 0.000 0.817 196 P CB 0.216 31.877 31.700 -0.066 0.000 0.785 197 K N -1.393 118.946 120.400 -0.102 0.000 3.096 197 K HA -0.143 4.186 4.320 0.015 0.000 0.266 197 K C 0.332 176.885 176.600 -0.078 0.000 1.043 197 K CA 1.025 57.258 56.287 -0.091 0.000 0.758 197 K CB -2.540 29.906 32.500 -0.090 0.000 1.260 197 K HN 0.397 nan 8.250 nan 0.000 0.481 198 T N -3.366 111.150 114.554 -0.062 0.000 3.044 198 T HA 0.399 4.758 4.350 0.015 0.000 0.260 198 T C 0.650 175.353 174.700 0.005 0.000 1.019 198 T CA 0.121 62.195 62.100 -0.042 0.000 0.921 198 T CB 0.555 69.385 68.868 -0.062 0.000 1.053 198 T HN 0.371 nan 8.240 nan 0.000 0.533 199 A N 2.166 124.981 122.820 -0.009 0.000 2.354 199 A HA 0.738 5.067 4.320 0.015 0.000 0.269 199 A C 0.105 177.659 177.584 -0.051 0.000 1.109 199 A CA -0.654 51.387 52.037 0.006 0.000 0.800 199 A CB 0.456 19.420 19.000 -0.060 0.000 1.045 199 A HN 0.315 nan 8.150 nan 0.000 0.489 200 R N 0.559 121.047 120.500 -0.020 0.000 2.771 200 R HA 0.643 4.992 4.340 0.015 0.000 0.274 200 R C -1.629 174.610 176.300 -0.101 0.000 0.987 200 R CA -0.694 55.371 56.100 -0.058 0.000 0.908 200 R CB 1.731 32.015 30.300 -0.027 0.000 1.213 200 R HN 0.636 nan 8.270 nan 0.000 0.468 201 V N 3.260 123.069 119.914 -0.175 0.000 2.656 201 V HA 0.669 4.798 4.120 0.015 0.000 0.307 201 V C -0.894 175.077 176.094 -0.205 0.000 1.051 201 V CA -0.829 61.259 62.300 -0.354 0.000 0.893 201 V CB 2.114 33.597 31.823 -0.567 0.000 0.999 201 V HN 0.736 nan 8.190 nan 0.000 0.426 202 I N 5.031 125.484 120.570 -0.196 0.000 2.647 202 I HA 0.519 4.698 4.170 0.015 0.000 0.295 202 I C -0.324 175.743 176.117 -0.084 0.000 1.078 202 I CA -0.790 60.447 61.300 -0.105 0.000 1.048 202 I CB 1.791 39.737 38.000 -0.090 0.000 1.239 202 I HN 0.756 nan 8.210 nan 0.000 0.421 203 K N 6.921 127.282 120.400 -0.066 0.000 2.270 203 K HA 0.415 4.744 4.320 0.015 0.000 0.276 203 K C -1.239 175.223 176.600 -0.230 0.000 1.023 203 K CA -0.343 55.815 56.287 -0.215 0.000 0.955 203 K CB 0.735 33.122 32.500 -0.187 0.000 0.975 203 K HN 0.580 nan 8.250 nan 0.000 0.471 204 L N 2.524 123.558 121.223 -0.316 0.000 2.379 204 L HA 0.357 4.706 4.340 0.015 0.000 0.269 204 L C 1.032 177.775 176.870 -0.212 0.000 1.084 204 L CA -0.823 53.882 54.840 -0.226 0.000 0.802 204 L CB 1.406 43.332 42.059 -0.223 0.000 1.175 204 L HN 0.817 nan 8.230 nan 0.000 0.448 205 G N 0.900 109.608 108.800 -0.153 0.000 2.636 205 G HA2 0.193 4.162 3.960 0.015 0.000 0.246 205 G HA3 0.193 4.162 3.960 0.015 0.000 0.246 205 G C -1.925 172.888 174.900 -0.145 0.000 1.216 205 G CA -0.852 44.171 45.100 -0.129 0.000 0.854 205 G HN 0.484 nan 8.290 nan 0.000 0.572 206 P HA -0.102 nan 4.420 nan 0.000 0.217 206 P C 1.205 178.434 177.300 -0.117 0.000 1.148 206 P CA 1.573 64.610 63.100 -0.104 0.000 0.828 206 P CB 0.159 31.821 31.700 -0.062 0.000 0.783 207 D N -2.292 118.044 120.400 -0.106 0.000 2.349 207 D HA -0.061 4.589 4.640 0.015 0.000 0.224 207 D C 0.970 177.102 176.300 -0.279 0.000 1.029 207 D CA 0.332 54.278 54.000 -0.091 0.000 0.879 207 D CB -0.625 40.167 40.800 -0.014 0.000 0.906 207 D HN -0.045 nan 8.370 nan 0.000 0.528 208 M N -0.593 118.791 119.600 -0.360 0.000 2.901 208 M HA -0.169 4.320 4.480 0.015 0.000 0.182 208 M C 0.426 176.555 176.300 -0.284 0.000 0.641 208 M CA 1.580 56.559 55.300 -0.535 0.000 0.689 208 M CB -3.070 28.676 32.600 -1.424 0.000 2.484 208 M HN 0.449 nan 8.290 nan 0.000 0.302 209 T N -1.790 112.688 114.554 -0.128 0.000 3.331 209 T HA 0.545 4.904 4.350 0.015 0.000 0.282 209 T C 0.284 174.980 174.700 -0.007 0.000 1.010 209 T CA 0.475 62.578 62.100 0.006 0.000 0.928 209 T CB 0.275 69.193 68.868 0.082 0.000 1.154 209 T HN 0.541 nan 8.240 nan 0.000 0.516 210 S N 0.011 115.689 115.700 -0.037 0.000 2.588 210 S HA 0.761 5.240 4.470 0.015 0.000 0.269 210 S C -0.663 173.898 174.600 -0.065 0.000 1.157 210 S CA -0.574 57.599 58.200 -0.045 0.000 0.824 210 S CB 1.362 64.533 63.200 -0.048 0.000 1.126 210 S HN 0.901 nan 8.310 nan 0.000 0.464 211 V N -1.186 118.688 119.914 -0.066 0.000 2.975 211 V HA 0.987 5.117 4.120 0.015 0.000 0.318 211 V C -0.680 175.367 176.094 -0.079 0.000 1.077 211 V CA -0.805 61.447 62.300 -0.080 0.000 1.000 211 V CB 1.399 33.179 31.823 -0.072 0.000 1.066 211 V HN 0.881 nan 8.190 nan 0.000 0.452 212 V N 2.934 122.795 119.914 -0.088 0.000 2.588 212 V HA 0.866 4.995 4.120 0.015 0.000 0.304 212 V C 0.924 176.980 176.094 -0.063 0.000 1.042 212 V CA 0.647 62.901 62.300 -0.076 0.000 0.877 212 V CB 0.597 32.366 31.823 -0.091 0.000 0.996 212 V HN 1.865 nan 8.190 nan 0.000 0.425 213 G N 4.775 113.545 108.800 -0.050 0.000 2.552 213 G HA2 -0.157 3.812 3.960 0.015 0.000 0.265 213 G HA3 -0.157 3.812 3.960 0.015 0.000 0.265 213 G C 0.051 174.925 174.900 -0.043 0.000 1.234 213 G CA 0.069 45.144 45.100 -0.041 0.000 0.944 213 G HN 1.658 nan 8.290 nan 0.000 0.568 214 S N -0.480 115.196 115.700 -0.039 0.000 2.664 214 S HA 0.870 5.349 4.470 0.015 0.000 0.304 214 S C 0.281 174.854 174.600 -0.044 0.000 1.099 214 S CA 0.486 58.661 58.200 -0.041 0.000 1.003 214 S CB 1.861 65.039 63.200 -0.037 0.000 1.092 214 S HN 2.389 nan 8.310 nan 0.000 0.525 215 A N 1.562 124.353 122.820 -0.049 0.000 2.425 215 A HA 0.604 4.933 4.320 0.015 0.000 0.249 215 A C 0.369 177.922 177.584 -0.052 0.000 1.084 215 A CA -0.456 51.547 52.037 -0.057 0.000 0.781 215 A CB -0.190 18.776 19.000 -0.056 0.000 1.019 215 A HN 0.794 nan 8.150 nan 0.000 0.490 216 S N 0.415 116.080 115.700 -0.058 0.000 2.565 216 S HA 0.490 4.969 4.470 0.015 0.000 0.290 216 S C 0.220 174.785 174.600 -0.059 0.000 1.150 216 S CA -0.424 57.746 58.200 -0.049 0.000 1.058 216 S CB 1.331 64.508 63.200 -0.038 0.000 1.032 216 S HN 0.742 nan 8.310 nan 0.000 0.510 217 T N 2.662 117.184 114.554 -0.053 0.000 2.832 217 T HA 0.349 4.709 4.350 0.015 0.000 0.296 217 T C 0.084 174.742 174.700 -0.069 0.000 0.968 217 T CA -0.034 62.027 62.100 -0.064 0.000 1.107 217 T CB -0.109 68.725 68.868 -0.058 0.000 0.916 217 T HN 0.365 nan 8.240 nan 0.000 0.517 218 I N 3.157 123.651 120.570 -0.127 0.000 2.304 218 I HA 0.164 4.343 4.170 0.015 0.000 0.291 218 I C 0.407 176.438 176.117 -0.144 0.000 1.018 218 I CA -0.544 60.657 61.300 -0.164 0.000 1.260 218 I CB 1.046 38.754 38.000 -0.486 0.000 1.390 218 I HN 0.491 nan 8.210 nan 0.000 0.475 219 D N 6.890 127.246 120.400 -0.073 0.000 2.608 219 D HA 0.225 4.874 4.640 0.015 0.000 0.224 219 D C 0.154 176.411 176.300 -0.072 0.000 1.123 219 D CA -0.148 53.809 54.000 -0.072 0.000 1.030 219 D CB 0.318 41.092 40.800 -0.043 0.000 1.093 219 D HN 0.539 nan 8.370 nan 0.000 0.497 220 A N 3.814 126.535 122.820 -0.164 0.000 2.396 220 A HA 0.416 4.746 4.320 0.015 0.000 0.279 220 A C -2.214 175.291 177.584 -0.133 0.000 1.165 220 A CA -1.186 50.690 52.037 -0.269 0.000 0.824 220 A CB 0.182 18.658 19.000 -0.874 0.000 1.100 220 A HN 0.335 nan 8.150 nan 0.000 0.516 221 P HA 0.199 nan 4.420 nan 0.000 0.267 221 P C -0.185 177.260 177.300 0.242 0.000 1.205 221 P CA 0.222 63.325 63.100 0.006 0.000 0.765 221 P CB -0.168 31.484 31.700 -0.079 0.000 0.828 222 F N -1.594 118.359 119.950 0.004 0.000 3.090 222 F HA -0.236 4.300 4.527 0.015 0.000 0.282 222 F C 0.970 176.941 175.800 0.285 0.000 0.923 222 F CA 0.096 58.147 58.000 0.085 0.000 0.977 222 F CB -1.875 37.087 39.000 -0.063 0.000 0.954 222 F HN 0.257 nan 8.300 nan 0.000 0.695 223 M N 0.140 119.922 119.600 0.303 0.000 2.245 223 M HA 0.146 4.636 4.480 0.015 0.000 0.335 223 M C 0.410 177.034 176.300 0.539 0.000 1.155 223 M CA 0.774 56.263 55.300 0.314 0.000 1.055 223 M CB 0.219 32.853 32.600 0.057 0.000 1.670 223 M HN 0.231 nan 8.290 nan 0.000 0.447 224 F N 2.063 122.267 119.950 0.423 0.000 2.347 224 F HA 0.376 4.912 4.527 0.015 0.000 0.266 224 F C 0.079 176.210 175.800 0.551 0.000 0.884 224 F CA 1.116 59.381 58.000 0.442 0.000 1.123 224 F CB 0.209 39.499 39.000 0.484 0.000 1.098 224 F HN 0.757 nan 8.300 nan 0.000 0.803 225 E N -1.300 119.216 120.200 0.525 0.000 2.331 225 E HA 0.242 4.601 4.350 0.015 0.000 0.263 225 E C -1.224 175.562 176.600 0.309 0.000 1.224 225 E CA -0.184 56.481 56.400 0.442 0.000 0.898 225 E CB 0.804 30.722 29.700 0.364 0.000 1.591 225 E HN -0.117 nan 8.360 nan 0.000 0.463 226 D N -0.042 120.425 120.400 0.111 0.000 2.739 226 D HA -0.134 4.516 4.640 0.015 0.000 0.240 226 D C -1.131 175.147 176.300 -0.036 0.000 1.114 226 D CA 1.079 54.984 54.000 -0.158 0.000 0.695 226 D CB -1.357 39.326 40.800 -0.195 0.000 1.078 226 D HN 0.547 nan 8.370 nan 0.000 0.434 227 S N 0.121 115.880 115.700 0.098 0.000 2.558 227 S HA 0.496 4.976 4.470 0.015 0.000 0.291 227 S C 0.737 175.294 174.600 -0.071 0.000 1.306 227 S CA 0.480 58.742 58.200 0.104 0.000 1.056 227 S CB 1.334 64.774 63.200 0.399 0.000 0.836 227 S HN 0.653 nan 8.310 nan 0.000 0.504 228 G N 1.509 110.176 108.800 -0.222 0.000 2.696 228 G HA2 0.606 4.576 3.960 0.015 0.000 0.295 228 G HA3 0.606 4.576 3.960 0.015 0.000 0.295 228 G C -1.877 172.910 174.900 -0.189 0.000 1.398 228 G CA -0.426 44.581 45.100 -0.155 0.000 0.920 228 G HN 0.556 nan 8.290 nan 0.000 0.492 229 L N 2.886 124.050 121.223 -0.098 0.000 2.476 229 L HA 0.565 4.915 4.340 0.015 0.000 0.269 229 L C -1.106 175.805 176.870 0.069 0.000 0.965 229 L CA -0.678 54.037 54.840 -0.209 0.000 0.845 229 L CB 1.486 43.151 42.059 -0.657 0.000 1.259 229 L HN 0.919 nan 8.230 nan 0.000 0.403 230 H N 2.814 121.899 119.070 0.026 0.000 2.894 230 H HA 0.531 5.097 4.556 0.017 0.000 0.368 230 H C -1.737 173.657 175.328 0.111 0.000 1.181 230 H CA -0.980 55.158 56.048 0.150 0.000 1.146 230 H CB 2.746 32.662 29.762 0.256 0.000 1.839 230 H HN 0.539 nan 8.280 nan 0.000 0.557 231 K N 1.784 122.328 120.400 0.240 0.000 2.450 231 K HA 0.281 4.610 4.320 0.015 0.000 0.257 231 K C -2.112 174.604 176.600 0.194 0.000 0.953 231 K CA -0.769 55.572 56.287 0.091 0.000 0.844 231 K CB 1.299 33.923 32.500 0.207 0.000 1.103 231 K HN 0.574 nan 8.250 nan 0.000 0.429 232 Y N 4.744 124.945 120.300 -0.165 0.000 2.338 232 Y HA 0.225 4.784 4.550 0.015 0.000 0.333 232 Y C -0.213 175.605 175.900 -0.138 0.000 0.968 232 Y CA -0.632 57.279 58.100 -0.314 0.000 1.123 232 Y CB 1.134 38.904 38.460 -1.151 0.000 1.165 232 Y HN 0.922 nan 8.280 nan 0.000 0.452 233 N N 4.360 122.632 118.700 -0.713 0.000 2.714 233 N HA -0.202 4.548 4.740 0.015 0.000 0.252 233 N C 0.776 176.126 175.510 -0.268 0.000 1.014 233 N CA 1.907 54.610 53.050 -0.578 0.000 0.735 233 N CB -1.131 36.833 38.487 -0.872 0.000 0.924 233 N HN 1.583 nan 8.380 nan 0.000 0.540 234 G N -2.231 106.445 108.800 -0.207 0.000 2.184 234 G HA2 -0.286 3.683 3.960 0.015 0.000 0.264 234 G HA3 -0.286 3.683 3.960 0.015 0.000 0.264 234 G C 0.276 175.013 174.900 -0.272 0.000 0.975 234 G CA 0.751 45.735 45.100 -0.194 0.000 0.642 234 G HN 0.737 nan 8.290 nan 0.000 0.536 235 T N 0.412 114.836 114.554 -0.217 0.000 2.823 235 T HA 0.587 4.946 4.350 0.015 0.000 0.279 235 T C -0.591 173.984 174.700 -0.208 0.000 0.998 235 T CA -0.307 61.686 62.100 -0.179 0.000 0.994 235 T CB 1.143 69.967 68.868 -0.073 0.000 0.960 235 T HN 0.202 nan 8.240 nan 0.000 0.448 236 Y N 1.652 121.945 120.300 -0.011 0.000 2.313 236 Y HA 0.407 4.970 4.550 0.022 0.000 0.332 236 Y C -0.272 175.681 175.900 0.088 0.000 1.071 236 Y CA -0.734 57.389 58.100 0.037 0.000 1.169 236 Y CB 0.591 39.068 38.460 0.028 0.000 1.192 236 Y HN 0.590 nan 8.280 nan 0.000 0.487 237 Y N 3.063 123.365 120.300 0.003 0.000 2.345 237 Y HA 0.224 4.782 4.550 0.014 0.000 0.331 237 Y C -0.805 175.128 175.900 0.055 0.000 0.959 237 Y CA -1.129 56.982 58.100 0.019 0.000 1.204 237 Y CB 0.826 39.020 38.460 -0.444 0.000 1.135 237 Y HN 0.564 nan 8.280 nan 0.000 0.477 238 Y N 4.450 124.792 120.300 0.071 0.000 2.383 238 Y HA 0.467 5.027 4.550 0.017 0.000 0.344 238 Y C -0.110 175.901 175.900 0.186 0.000 0.986 238 Y CA -0.777 57.208 58.100 -0.191 0.000 1.175 238 Y CB 0.553 38.435 38.460 -0.962 0.000 1.152 238 Y HN 0.569 nan 8.280 nan 0.000 0.511 239 S N 6.006 121.485 115.700 -0.368 0.000 2.607 239 S HA 0.857 5.337 4.470 0.015 0.000 0.303 239 S C -1.370 173.111 174.600 -0.197 0.000 1.086 239 S CA -0.601 57.566 58.200 -0.055 0.000 0.995 239 S CB 2.062 65.465 63.200 0.337 0.000 1.084 239 S HN 0.820 nan 8.310 nan 0.000 0.507 240 Y N -2.497 117.697 120.300 -0.177 0.000 2.702 240 Y HA 0.656 5.215 4.550 0.016 0.000 0.336 240 Y C -1.001 174.902 175.900 0.005 0.000 1.203 240 Y CA -1.612 56.453 58.100 -0.058 0.000 1.072 240 Y CB 0.318 38.780 38.460 0.004 0.000 1.327 240 Y HN 0.891 nan 8.280 nan 0.000 0.456 241 C N 3.711 123.113 119.300 0.169 0.000 2.415 241 C HA 0.654 5.123 4.460 0.015 0.000 0.369 241 C C 0.367 175.518 174.990 0.268 0.000 1.279 241 C CA -0.559 58.516 59.018 0.095 0.000 1.886 241 C CB -1.450 26.445 27.740 0.258 0.000 2.468 241 C HN 0.684 nan 8.230 nan 0.000 0.553 242 I N 6.673 127.243 120.570 -0.001 0.000 2.588 242 I HA 0.132 4.311 4.170 0.015 0.000 0.283 242 I C 0.763 176.871 176.117 -0.015 0.000 1.119 242 I CA 0.150 61.525 61.300 0.124 0.000 1.419 242 I CB 0.592 38.559 38.000 -0.057 0.000 1.394 242 I HN 0.825 nan 8.210 nan 0.000 0.562 243 N N 4.773 123.583 118.700 0.183 0.000 2.263 243 N HA 0.062 4.811 4.740 0.015 0.000 0.239 243 N C -0.109 175.129 175.510 -0.453 0.000 1.317 243 N CA 0.254 53.201 53.050 -0.172 0.000 0.909 243 N CB 0.263 38.886 38.487 0.228 0.000 1.171 243 N HN 0.448 nan 8.380 nan 0.000 0.492 244 F N -2.719 116.988 119.950 -0.405 0.000 2.706 244 F HA 0.455 4.991 4.527 0.015 0.000 0.308 244 F C 1.426 176.872 175.800 -0.590 0.000 1.095 244 F CA -0.233 57.495 58.000 -0.454 0.000 1.244 244 F CB 0.349 39.139 39.000 -0.351 0.000 1.063 244 F HN 0.610 nan 8.300 nan 0.000 0.582 245 G N -0.492 107.850 108.800 -0.763 0.000 2.509 245 G HA2 0.538 4.507 3.960 0.015 0.000 0.328 245 G HA3 0.538 4.507 3.960 0.015 0.000 0.328 245 G C 0.081 174.140 174.900 -1.401 0.000 1.194 245 G CA -0.163 43.906 45.100 -1.718 0.000 0.967 245 G HN 0.457 nan 8.290 nan 0.000 0.488 246 G N -0.907 107.160 108.800 -1.223 0.000 2.828 246 G HA2 0.258 4.227 3.960 0.015 0.000 0.463 246 G HA3 0.258 4.227 3.960 0.015 0.000 0.463 246 G C 0.241 175.109 174.900 -0.053 0.000 1.394 246 G CA 0.172 45.011 45.100 -0.435 0.000 0.862 246 G HN 1.912 nan 8.290 nan 0.000 0.540 247 T N -1.589 113.004 114.554 0.065 0.000 2.910 247 T HA 0.632 4.991 4.350 0.015 0.000 0.293 247 T C 0.137 174.889 174.700 0.087 0.000 1.015 247 T CA -0.032 62.108 62.100 0.066 0.000 1.094 247 T CB 1.256 70.148 68.868 0.039 0.000 0.968 247 T HN 0.731 nan 8.240 nan 0.000 0.521 248 H N 1.928 120.834 119.070 -0.272 0.000 2.622 248 H HA 0.442 5.007 4.556 0.015 0.000 0.363 248 H C -2.025 173.101 175.328 -0.336 0.000 1.151 248 H CA -1.846 53.864 56.048 -0.563 0.000 1.184 248 H CB 2.045 31.365 29.762 -0.737 0.000 1.643 248 H HN 0.608 nan 8.280 nan 0.000 0.531 249 P HA 0.089 nan 4.420 nan 0.000 0.274 249 P C 0.446 177.671 177.300 -0.124 0.000 1.246 249 P CA -0.306 62.726 63.100 -0.112 0.000 0.795 249 P CB 0.837 32.496 31.700 -0.068 0.000 1.006 250 A N 1.482 124.261 122.820 -0.069 0.000 1.978 250 A HA -0.194 4.135 4.320 0.015 0.000 0.220 250 A C 1.554 179.117 177.584 -0.036 0.000 1.170 250 A CA 1.995 53.997 52.037 -0.059 0.000 0.636 250 A CB -1.143 17.846 19.000 -0.018 0.000 0.810 250 A HN 0.720 nan 8.150 nan 0.000 0.448 251 D N -0.968 119.442 120.400 0.017 0.000 2.340 251 D HA 0.010 4.659 4.640 0.015 0.000 0.220 251 D C 0.243 176.630 176.300 0.146 0.000 1.039 251 D CA 0.464 54.560 54.000 0.160 0.000 0.866 251 D CB -0.093 40.832 40.800 0.209 0.000 0.913 251 D HN 0.396 nan 8.370 nan 0.000 0.523 252 K N 1.439 121.767 120.400 -0.119 0.000 2.954 252 K HA 0.276 4.605 4.320 0.015 0.000 0.171 252 K C -2.733 173.693 176.600 -0.290 0.000 1.079 252 K CA -1.494 54.667 56.287 -0.210 0.000 0.908 252 K CB 1.980 34.269 32.500 -0.353 0.000 1.142 252 K HN 0.055 nan 8.250 nan 0.000 0.613 253 P HA 0.096 nan 4.420 nan 0.000 0.271 253 P C -2.564 174.441 177.300 -0.492 0.000 1.216 253 P CA -1.466 61.365 63.100 -0.449 0.000 0.771 253 P CB 0.068 31.459 31.700 -0.515 0.000 0.864 254 P HA -0.011 nan 4.420 nan 0.000 0.264 254 P C 0.962 177.803 177.300 -0.766 0.000 1.193 254 P CA 1.036 63.608 63.100 -0.881 0.000 0.763 254 P CB -0.021 31.097 31.700 -0.970 0.000 0.810 255 G N 1.831 109.974 108.800 -1.095 0.000 2.148 255 G HA2 -0.218 3.752 3.960 0.015 0.000 0.254 255 G HA3 -0.218 3.752 3.960 0.015 0.000 0.254 255 G C -0.036 174.621 174.900 -0.405 0.000 0.981 255 G CA -0.051 44.370 45.100 -1.132 0.000 0.670 255 G HN 0.608 nan 8.290 nan 0.000 0.528 256 E N -0.463 119.510 120.200 -0.378 0.000 2.232 256 E HA 0.574 4.934 4.350 0.015 0.000 0.265 256 E C 0.016 176.414 176.600 -0.337 0.000 1.001 256 E CA -1.199 55.027 56.400 -0.290 0.000 0.870 256 E CB 1.224 30.740 29.700 -0.306 0.000 1.175 256 E HN 0.046 nan 8.360 nan 0.000 0.407 257 I N 2.073 122.383 120.570 -0.434 0.000 2.337 257 I HA 0.180 4.359 4.170 0.015 0.000 0.291 257 I C 0.749 176.420 176.117 -0.742 0.000 1.046 257 I CA 0.179 61.050 61.300 -0.715 0.000 1.324 257 I CB 0.011 37.316 38.000 -1.158 0.000 1.409 257 I HN 0.483 nan 8.210 nan 0.000 0.494 258 G N 6.643 114.993 108.800 -0.750 0.000 2.477 258 G HA2 0.539 4.509 3.960 0.015 0.000 0.304 258 G HA3 0.539 4.509 3.960 0.015 0.000 0.304 258 G C -1.191 173.469 174.900 -0.399 0.000 1.175 258 G CA -0.285 44.499 45.100 -0.526 0.000 0.907 258 G HN 0.616 nan 8.290 nan 0.000 0.509 259 Y N -1.716 118.431 120.300 -0.255 0.000 2.571 259 Y HA 0.789 5.347 4.550 0.014 0.000 0.341 259 Y C -0.758 175.171 175.900 0.049 0.000 1.076 259 Y CA -1.651 56.469 58.100 0.034 0.000 1.029 259 Y CB 1.620 40.245 38.460 0.274 0.000 1.308 259 Y HN 0.491 nan 8.280 nan 0.000 0.461 260 M N 2.593 122.337 119.600 0.240 0.000 2.619 260 M HA 0.649 5.138 4.480 0.015 0.000 0.297 260 M C -1.109 175.379 176.300 0.315 0.000 1.229 260 M CA -0.834 54.589 55.300 0.204 0.000 0.860 260 M CB 3.007 35.842 32.600 0.391 0.000 1.741 260 M HN 0.874 nan 8.290 nan 0.000 0.462 261 T N -1.851 112.827 114.554 0.207 0.000 2.924 261 T HA 0.843 5.202 4.350 0.015 0.000 0.291 261 T C -0.680 174.044 174.700 0.039 0.000 1.045 261 T CA -0.845 61.282 62.100 0.045 0.000 1.015 261 T CB 2.042 70.732 68.868 -0.297 0.000 1.103 261 T HN 0.724 nan 8.240 nan 0.000 0.496 262 S N -0.463 115.153 115.700 -0.140 0.000 2.565 262 S HA 0.502 4.981 4.470 0.015 0.000 0.269 262 S C 0.630 175.162 174.600 -0.112 0.000 1.153 262 S CA -0.081 57.911 58.200 -0.347 0.000 0.835 262 S CB 1.351 63.888 63.200 -1.105 0.000 1.122 262 S HN 1.219 nan 8.310 nan 0.000 0.462 263 S N 1.277 116.924 115.700 -0.089 0.000 2.593 263 S HA 0.357 4.836 4.470 0.015 0.000 0.217 263 S C 0.286 174.978 174.600 0.152 0.000 0.966 263 S CA -0.161 58.073 58.200 0.057 0.000 0.914 263 S CB -0.189 63.011 63.200 -0.000 0.000 0.776 263 S HN 0.532 nan 8.310 nan 0.000 0.523 264 S N 2.399 118.041 115.700 -0.097 0.000 2.548 264 S HA 0.521 5.000 4.470 0.015 0.000 0.286 264 S C -2.352 171.774 174.600 -0.790 0.000 1.098 264 S CA -1.330 56.659 58.200 -0.351 0.000 0.930 264 S CB 2.127 65.173 63.200 -0.256 0.000 1.070 264 S HN 0.013 nan 8.310 nan 0.000 0.480 265 P HA -0.025 nan 4.420 nan 0.000 0.220 265 P C 0.606 177.704 177.300 -0.338 0.000 1.148 265 P CA 1.300 63.775 63.100 -1.042 0.000 0.803 265 P CB -0.003 30.826 31.700 -1.451 0.000 0.782 266 M N -1.479 117.908 119.600 -0.355 0.000 2.431 266 M HA 0.299 4.788 4.480 0.015 0.000 0.237 266 M C 0.780 177.023 176.300 -0.095 0.000 1.130 266 M CA 0.221 55.459 55.300 -0.104 0.000 1.002 266 M CB 0.209 32.759 32.600 -0.083 0.000 1.524 266 M HN -0.024 nan 8.290 nan 0.000 0.482 267 G N 1.579 110.108 108.800 -0.451 0.000 2.549 267 G HA2 -0.108 3.861 3.960 0.015 0.000 0.404 267 G HA3 -0.108 3.861 3.960 0.015 0.000 0.404 267 G C -3.076 171.601 174.900 -0.372 0.000 1.292 267 G CA -1.275 43.446 45.100 -0.631 0.000 0.935 267 G HN 0.151 nan 8.290 nan 0.000 0.512 268 P HA 0.564 nan 4.420 nan 0.000 0.275 268 P C -0.794 176.341 177.300 -0.274 0.000 1.227 268 P CA -0.007 62.986 63.100 -0.178 0.000 0.781 268 P CB 0.445 32.094 31.700 -0.086 0.000 0.906 269 F N 0.504 120.444 119.950 -0.016 0.000 2.399 269 F HA 0.357 4.894 4.527 0.016 0.000 0.334 269 F C 1.040 176.859 175.800 0.032 0.000 1.097 269 F CA 0.191 58.200 58.000 0.015 0.000 1.076 269 F CB 1.416 40.439 39.000 0.038 0.000 1.162 269 F HN 0.108 nan 8.300 nan 0.000 0.495 270 T N 2.685 117.368 114.554 0.214 0.000 2.812 270 T HA 0.180 4.539 4.350 0.015 0.000 0.282 270 T C -1.084 173.716 174.700 0.166 0.000 0.990 270 T CA -0.488 61.703 62.100 0.151 0.000 0.960 270 T CB 0.482 69.389 68.868 0.065 0.000 0.948 270 T HN 0.364 nan 8.240 nan 0.000 0.438 271 Y N 3.715 124.060 120.300 0.075 0.000 2.717 271 Y HA 0.073 4.631 4.550 0.014 0.000 0.330 271 Y C 1.294 177.143 175.900 -0.085 0.000 1.217 271 Y CA 0.124 58.245 58.100 0.036 0.000 1.506 271 Y CB 0.538 39.047 38.460 0.082 0.000 1.268 271 Y HN 0.495 nan 8.280 nan 0.000 0.561 272 R N 3.423 123.365 120.500 -0.929 0.000 2.191 272 R HA 0.301 4.651 4.340 0.015 0.000 0.196 272 R C 0.337 176.177 176.300 -0.767 0.000 0.991 272 R CA 0.720 56.348 56.100 -0.787 0.000 1.075 272 R CB 0.294 30.166 30.300 -0.713 0.000 1.040 272 R HN 0.834 nan 8.270 nan 0.000 0.526 273 G N 1.886 110.034 108.800 -1.087 0.000 4.494 273 G HA2 0.178 4.147 3.960 0.015 0.000 0.238 273 G HA3 0.178 4.147 3.960 0.015 0.000 0.238 273 G C -1.380 173.163 174.900 -0.594 0.000 3.102 273 G CA -0.581 43.558 45.100 -1.602 0.000 0.616 273 G HN 0.387 nan 8.290 nan 0.000 0.237 274 H N -1.551 117.488 119.070 -0.051 0.000 2.679 274 H HA 0.725 5.290 4.556 0.015 0.000 0.360 274 H C -0.143 175.241 175.328 0.092 0.000 1.105 274 H CA -1.703 54.342 56.048 -0.005 0.000 1.196 274 H CB 1.675 31.393 29.762 -0.073 0.000 1.636 274 H HN 0.279 nan 8.280 nan 0.000 0.531 275 F N 1.478 121.441 119.950 0.023 0.000 2.856 275 F HA 0.441 4.976 4.527 0.014 0.000 0.338 275 F C -1.347 174.389 175.800 -0.107 0.000 1.100 275 F CA -0.609 57.321 58.000 -0.116 0.000 1.150 275 F CB 0.906 39.730 39.000 -0.293 0.000 1.101 275 F HN 0.426 nan 8.300 nan 0.000 0.548 276 L N 2.658 123.776 121.223 -0.176 0.000 2.491 276 L HA 0.488 4.837 4.340 0.015 0.000 0.267 276 L C -0.557 176.285 176.870 -0.047 0.000 0.971 276 L CA -0.881 53.912 54.840 -0.079 0.000 0.857 276 L CB 1.634 43.575 42.059 -0.197 0.000 1.226 276 L HN 0.042 nan 8.230 nan 0.000 0.408 277 K N 2.584 123.053 120.400 0.115 0.000 2.187 277 K HA 0.138 4.468 4.320 0.015 0.000 0.247 277 K C 0.299 176.926 176.600 0.044 0.000 1.019 277 K CA -0.419 55.846 56.287 -0.037 0.000 0.893 277 K CB 0.321 32.622 32.500 -0.332 0.000 1.025 277 K HN 0.640 nan 8.250 nan 0.000 0.500 278 N N 2.052 120.726 118.700 -0.044 0.000 2.356 278 N HA -0.060 4.689 4.740 0.015 0.000 0.252 278 N C -1.683 173.933 175.510 0.178 0.000 1.241 278 N CA -0.973 52.121 53.050 0.074 0.000 0.861 278 N CB 0.707 39.240 38.487 0.077 0.000 1.075 278 N HN 0.278 nan 8.380 nan 0.000 0.461 279 P HA -0.126 nan 4.420 nan 0.000 0.218 279 P C 1.120 178.645 177.300 0.376 0.000 1.146 279 P CA 1.169 64.559 63.100 0.484 0.000 0.813 279 P CB -0.094 31.890 31.700 0.473 0.000 0.778 280 G N 0.452 109.384 108.800 0.219 0.000 2.448 280 G HA2 -0.202 3.767 3.960 0.015 0.000 0.219 280 G HA3 -0.202 3.767 3.960 0.015 0.000 0.219 280 G C 1.753 176.650 174.900 -0.004 0.000 1.127 280 G CA 0.839 46.017 45.100 0.131 0.000 0.766 280 G HN 0.374 nan 8.290 nan 0.000 0.552 281 A N -0.019 122.705 122.820 -0.160 0.000 1.969 281 A HA 0.228 4.557 4.320 0.015 0.000 0.218 281 A C 2.017 179.293 177.584 -0.512 0.000 1.169 281 A CA 1.182 52.981 52.037 -0.397 0.000 0.635 281 A CB -0.317 18.296 19.000 -0.646 0.000 0.810 281 A HN 0.328 nan 8.150 nan 0.000 0.445 282 F N -2.790 116.986 119.950 -0.289 0.000 2.383 282 F HA 0.248 4.784 4.527 0.015 0.000 0.287 282 F C 1.371 176.798 175.800 -0.622 0.000 1.069 282 F CA 0.466 58.090 58.000 -0.626 0.000 1.402 282 F CB -0.087 38.163 39.000 -1.252 0.000 1.116 282 F HN 0.156 nan 8.300 nan 0.000 0.549 283 F N 0.000 120.099 119.950 0.248 0.000 2.682 283 F HA 0.517 5.053 4.527 0.015 0.000 0.308 283 F C 1.096 177.007 175.800 0.186 0.000 1.093 283 F CA -0.254 57.874 58.000 0.213 0.000 1.244 283 F CB -0.241 38.855 39.000 0.160 0.000 1.052 283 F HN -0.016 nan 8.300 nan 0.000 0.573 284 G N 0.536 109.472 108.800 0.226 0.000 2.778 284 G HA2 0.235 4.205 3.960 0.015 0.000 0.686 284 G HA3 0.235 4.205 3.960 0.015 0.000 0.686 284 G C -0.070 174.931 174.900 0.169 0.000 1.309 284 G CA -0.483 44.713 45.100 0.159 0.000 0.904 284 G HN 0.823 nan 8.290 nan 0.000 0.593 285 G N 0.685 109.555 108.800 0.117 0.000 2.975 285 G HA2 0.942 4.912 3.960 0.015 0.000 0.299 285 G HA3 0.942 4.912 3.960 0.015 0.000 0.299 285 G C 0.360 175.301 174.900 0.068 0.000 1.587 285 G CA 1.242 46.390 45.100 0.080 0.000 1.052 285 G HN 2.313 nan 8.290 nan 0.000 0.545 286 G N -0.284 108.562 108.800 0.078 0.000 2.392 286 G HA2 0.892 4.861 3.960 0.015 0.000 0.260 286 G HA3 0.892 4.861 3.960 0.015 0.000 0.260 286 G C -0.082 174.877 174.900 0.100 0.000 1.226 286 G CA 0.494 45.665 45.100 0.119 0.000 0.913 286 G HN 1.794 nan 8.290 nan 0.000 0.483 287 G N -0.719 108.165 108.800 0.140 0.000 2.392 287 G HA2 0.571 4.540 3.960 0.015 0.000 0.260 287 G HA3 0.571 4.540 3.960 0.015 0.000 0.260 287 G C -0.973 174.081 174.900 0.257 0.000 1.226 287 G CA 0.296 45.458 45.100 0.104 0.000 0.913 287 G HN 1.652 nan 8.290 nan 0.000 0.483 288 N N 0.212 119.098 118.700 0.309 0.000 2.444 288 N HA 0.489 5.238 4.740 0.015 0.000 0.255 288 N C -0.448 175.405 175.510 0.572 0.000 1.255 288 N CA -0.273 53.086 53.050 0.514 0.000 0.933 288 N CB 1.002 39.775 38.487 0.475 0.000 1.143 288 N HN 0.579 nan 8.380 nan 0.000 0.453 289 N N -0.705 118.287 118.700 0.488 0.000 2.310 289 N HA 0.327 5.076 4.740 0.015 0.000 0.292 289 N C -2.229 173.367 175.510 0.144 0.000 1.049 289 N CA -0.524 52.692 53.050 0.278 0.000 0.849 289 N CB 0.838 39.466 38.487 0.234 0.000 1.532 289 N HN 0.851 nan 8.380 nan 0.000 0.479 290 H N 1.766 120.737 119.070 -0.165 0.000 3.154 290 H HA 0.342 4.907 4.556 0.015 0.000 0.330 290 H C -1.442 173.832 175.328 -0.089 0.000 1.033 290 H CA -0.529 55.400 56.048 -0.198 0.000 1.393 290 H CB 0.565 30.108 29.762 -0.364 0.000 1.951 290 H HN 0.678 nan 8.280 nan 0.000 0.466 291 H N 3.009 122.057 119.070 -0.036 0.000 3.094 291 H HA 0.757 5.322 4.556 0.015 0.000 0.346 291 H C -2.136 173.276 175.328 0.141 0.000 1.238 291 H CA -0.512 55.607 56.048 0.118 0.000 1.209 291 H CB 1.170 31.002 29.762 0.117 0.000 1.911 291 H HN 0.700 nan 8.280 nan 0.000 0.540 292 A N 2.566 125.403 122.820 0.028 0.000 2.488 292 A HA 0.544 4.873 4.320 0.015 0.000 0.298 292 A C -1.307 176.507 177.584 0.384 0.000 1.044 292 A CA -0.523 51.551 52.037 0.061 0.000 0.693 292 A CB 1.803 20.894 19.000 0.151 0.000 1.272 292 A HN 0.406 nan 8.150 nan 0.000 0.402 293 V N 2.539 122.658 119.914 0.342 0.000 2.481 293 V HA 0.778 4.907 4.120 0.015 0.000 0.286 293 V C -0.423 175.956 176.094 0.476 0.000 1.042 293 V CA -0.092 62.346 62.300 0.229 0.000 0.928 293 V CB 0.572 32.225 31.823 -0.283 0.000 0.986 293 V HN 0.986 nan 8.190 nan 0.000 0.462 294 F N 1.605 121.774 119.950 0.366 0.000 2.686 294 F HA 0.589 5.124 4.527 0.014 0.000 0.311 294 F C -0.922 174.992 175.800 0.190 0.000 1.128 294 F CA -1.080 57.133 58.000 0.355 0.000 0.946 294 F CB 1.896 41.077 39.000 0.302 0.000 1.336 294 F HN 0.353 nan 8.300 nan 0.000 0.457 295 N N 1.778 120.432 118.700 -0.077 0.000 2.446 295 N HA 0.375 5.124 4.740 0.015 0.000 0.265 295 N C -2.264 173.352 175.510 0.176 0.000 0.975 295 N CA -0.169 52.597 53.050 -0.473 0.000 0.928 295 N CB 1.515 39.237 38.487 -1.275 0.000 1.160 295 N HN 0.680 nan 8.380 nan 0.000 0.495 296 F N 3.565 123.615 119.950 0.168 0.000 2.529 296 F HA 0.380 4.916 4.527 0.014 0.000 0.320 296 F C 0.384 176.294 175.800 0.182 0.000 1.118 296 F CA -0.834 57.342 58.000 0.293 0.000 0.915 296 F CB 0.887 40.191 39.000 0.506 0.000 1.161 296 F HN 0.505 nan 8.300 nan 0.000 0.445 297 K N 5.211 125.273 120.400 -0.564 0.000 3.311 297 K HA -0.343 3.986 4.320 0.015 0.000 0.270 297 K C 0.026 176.480 176.600 -0.243 0.000 0.927 297 K CA 1.299 57.273 56.287 -0.522 0.000 0.706 297 K CB -1.531 30.490 32.500 -0.798 0.000 1.418 297 K HN 0.961 nan 8.250 nan 0.000 0.459 298 N N -1.209 117.376 118.700 -0.192 0.000 2.782 298 N HA -0.225 4.524 4.740 0.015 0.000 0.251 298 N C -0.391 174.990 175.510 -0.216 0.000 1.101 298 N CA 1.248 54.189 53.050 -0.181 0.000 0.764 298 N CB -0.415 37.998 38.487 -0.122 0.000 1.122 298 N HN 0.637 nan 8.380 nan 0.000 0.561 299 E N -0.194 119.840 120.200 -0.277 0.000 2.293 299 E HA 0.498 4.857 4.350 0.015 0.000 0.270 299 E C -1.489 174.676 176.600 -0.725 0.000 0.879 299 E CA -0.669 55.465 56.400 -0.442 0.000 0.756 299 E CB 0.891 30.319 29.700 -0.454 0.000 1.208 299 E HN 0.218 nan 8.360 nan 0.000 0.428 300 W N 3.720 124.699 121.300 -0.536 0.000 2.316 300 W HA 0.431 5.099 4.660 0.012 0.000 0.311 300 W C -0.622 175.391 176.519 -0.843 0.000 1.217 300 W CA -0.048 56.980 57.345 -0.529 0.000 1.199 300 W CB 0.622 29.895 29.460 -0.313 0.000 1.202 300 W HN 0.414 nan 8.180 nan 0.000 0.528 301 Y N 1.490 121.604 120.300 -0.310 0.000 2.605 301 Y HA 0.615 5.174 4.550 0.015 0.000 0.343 301 Y C -0.533 175.126 175.900 -0.401 0.000 1.036 301 Y CA -1.534 56.295 58.100 -0.452 0.000 1.065 301 Y CB 1.542 39.516 38.460 -0.810 0.000 1.288 301 Y HN 0.066 nan 8.280 nan 0.000 0.481 302 V N 2.658 122.626 119.914 0.090 0.000 2.540 302 V HA 0.671 4.800 4.120 0.015 0.000 0.302 302 V C -1.378 175.016 176.094 0.500 0.000 1.035 302 V CA -0.789 61.675 62.300 0.274 0.000 0.873 302 V CB 1.748 33.721 31.823 0.251 0.000 0.992 302 V HN 0.625 nan 8.190 nan 0.000 0.428 303 V N 8.721 128.994 119.914 0.598 0.000 2.481 303 V HA 0.766 4.895 4.120 0.015 0.000 0.286 303 V C -0.715 175.620 176.094 0.402 0.000 1.042 303 V CA 0.094 62.650 62.300 0.427 0.000 0.928 303 V CB 1.362 33.383 31.823 0.330 0.000 0.986 303 V HN 1.039 nan 8.190 nan 0.000 0.462 304 Y N 4.027 124.441 120.300 0.189 0.000 2.744 304 Y HA 0.694 5.253 4.550 0.015 0.000 0.330 304 Y C -0.623 175.338 175.900 0.101 0.000 1.263 304 Y CA -1.203 56.970 58.100 0.121 0.000 1.065 304 Y CB 1.172 39.708 38.460 0.126 0.000 1.306 304 Y HN 0.810 nan 8.280 nan 0.000 0.459 305 H N 0.894 120.065 119.070 0.169 0.000 2.771 305 H HA 1.011 5.576 4.556 0.016 0.000 0.367 305 H C -1.554 173.787 175.328 0.022 0.000 1.172 305 H CA -1.079 54.961 56.048 -0.013 0.000 1.186 305 H CB 2.214 31.983 29.762 0.011 0.000 1.790 305 H HN 1.144 nan 8.280 nan 0.000 0.556 306 A N 1.118 123.983 122.820 0.075 0.000 2.610 306 A HA 0.196 4.525 4.320 0.015 0.000 0.291 306 A C -0.900 176.675 177.584 -0.014 0.000 1.086 306 A CA -0.923 51.121 52.037 0.011 0.000 0.677 306 A CB 1.804 20.567 19.000 -0.396 0.000 1.278 306 A HN 0.796 nan 8.150 nan 0.000 0.414 307 Q N 0.999 120.840 119.800 0.068 0.000 2.620 307 Q HA 0.115 4.465 4.340 0.015 0.000 0.333 307 Q C 0.867 176.950 176.000 0.138 0.000 1.017 307 Q CA 0.473 56.342 55.803 0.110 0.000 0.962 307 Q CB -0.260 28.564 28.738 0.144 0.000 1.297 307 Q HN 0.871 nan 8.270 nan 0.000 0.419 308 T N -4.666 109.941 114.554 0.089 0.000 3.043 308 T HA 0.009 4.368 4.350 0.015 0.000 0.263 308 T C 1.632 176.427 174.700 0.158 0.000 1.094 308 T CA 0.271 62.461 62.100 0.151 0.000 1.127 308 T CB 0.155 69.110 68.868 0.145 0.000 0.905 308 T HN 0.125 nan 8.240 nan 0.000 0.490 309 V N 2.397 122.388 119.914 0.128 0.000 2.374 309 V HA -0.069 4.060 4.120 0.015 0.000 0.241 309 V C 3.114 179.281 176.094 0.122 0.000 1.034 309 V CA 1.596 63.955 62.300 0.099 0.000 1.037 309 V CB -0.528 31.340 31.823 0.075 0.000 0.682 309 V HN 0.680 nan 8.190 nan 0.000 0.463 310 S N 0.198 116.045 115.700 0.245 0.000 2.374 310 S HA -0.247 4.233 4.470 0.015 0.000 0.227 310 S C 2.062 176.821 174.600 0.264 0.000 1.037 310 S CA 2.015 60.442 58.200 0.377 0.000 1.024 310 S CB -0.778 62.804 63.200 0.637 0.000 0.861 310 S HN 0.456 nan 8.310 nan 0.000 0.456 311 S N 2.358 118.196 115.700 0.229 0.000 2.368 311 S HA 0.069 4.548 4.470 0.015 0.000 0.225 311 S C 2.325 176.994 174.600 0.115 0.000 1.030 311 S CA 1.073 59.390 58.200 0.194 0.000 0.999 311 S CB -0.854 62.468 63.200 0.204 0.000 0.844 311 S HN 0.804 nan 8.310 nan 0.000 0.459 312 A N 0.917 123.785 122.820 0.079 0.000 1.969 312 A HA 0.047 4.376 4.320 0.015 0.000 0.218 312 A C 2.047 179.583 177.584 -0.081 0.000 1.169 312 A CA 1.026 53.081 52.037 0.031 0.000 0.635 312 A CB -0.493 18.537 19.000 0.050 0.000 0.810 312 A HN 0.466 nan 8.150 nan 0.000 0.445 313 L N -2.713 118.362 121.223 -0.246 0.000 2.162 313 L HA 0.042 4.391 4.340 0.015 0.000 0.205 313 L C 1.709 178.210 176.870 -0.615 0.000 1.086 313 L CA 0.848 55.345 54.840 -0.572 0.000 0.778 313 L CB -0.132 41.298 42.059 -1.048 0.000 0.928 313 L HN 0.414 nan 8.230 nan 0.000 0.446 314 F N -1.344 118.598 119.950 -0.013 0.000 2.746 314 F HA 0.372 4.908 4.527 0.015 0.000 0.313 314 F C 1.730 177.535 175.800 0.010 0.000 1.095 314 F CA 0.273 58.256 58.000 -0.028 0.000 1.224 314 F CB 0.010 38.970 39.000 -0.067 0.000 1.060 314 F HN 0.038 nan 8.300 nan 0.000 0.584 315 G N 0.768 109.664 108.800 0.160 0.000 2.179 315 G HA2 0.031 4.000 3.960 0.015 0.000 0.260 315 G HA3 0.031 4.000 3.960 0.015 0.000 0.260 315 G C 0.104 175.091 174.900 0.145 0.000 0.977 315 G CA 0.077 45.255 45.100 0.131 0.000 0.641 315 G HN 0.882 nan 8.290 nan 0.000 0.533 316 A N -1.449 121.486 122.820 0.192 0.000 2.540 316 A HA 0.813 5.142 4.320 0.015 0.000 0.297 316 A C 0.988 178.707 177.584 0.225 0.000 1.056 316 A CA 0.560 52.697 52.037 0.166 0.000 0.700 316 A CB 0.720 19.789 19.000 0.114 0.000 1.280 316 A HN 1.545 nan 8.150 nan 0.000 0.398 317 G N 0.418 109.337 108.800 0.198 0.000 2.421 317 G HA2 0.061 4.030 3.960 0.015 0.000 0.217 317 G HA3 0.061 4.030 3.960 0.015 0.000 0.217 317 G C 0.707 175.760 174.900 0.255 0.000 1.143 317 G CA 0.727 45.970 45.100 0.238 0.000 0.784 317 G HN 1.100 nan 8.290 nan 0.000 0.541 318 K N -1.168 119.312 120.400 0.132 0.000 3.130 318 K HA -0.231 4.098 4.320 0.015 0.000 0.282 318 K C 1.312 177.794 176.600 -0.197 0.000 1.145 318 K CA 0.419 56.725 56.287 0.032 0.000 0.831 318 K CB -1.750 30.834 32.500 0.139 0.000 1.226 318 K HN 1.160 nan 8.250 nan 0.000 0.478 319 G N -1.009 107.702 108.800 -0.148 0.000 2.179 319 G HA2 -0.343 3.626 3.960 0.015 0.000 0.260 319 G HA3 -0.343 3.626 3.960 0.015 0.000 0.260 319 G C -0.234 174.458 174.900 -0.347 0.000 0.977 319 G CA 0.493 45.429 45.100 -0.273 0.000 0.641 319 G HN 0.307 nan 8.290 nan 0.000 0.533 320 Y N 0.673 120.991 120.300 0.031 0.000 2.320 320 Y HA 0.734 5.293 4.550 0.015 0.000 0.334 320 Y C 1.060 176.947 175.900 -0.021 0.000 1.055 320 Y CA -0.546 57.562 58.100 0.014 0.000 1.143 320 Y CB 1.023 39.574 38.460 0.152 0.000 1.193 320 Y HN 0.187 nan 8.280 nan 0.000 0.477 321 R N 1.005 121.516 120.500 0.018 0.000 2.854 321 R HA 0.807 5.156 4.340 0.015 0.000 0.271 321 R C -0.969 175.304 176.300 -0.045 0.000 0.996 321 R CA -0.894 55.141 56.100 -0.109 0.000 0.961 321 R CB 2.137 32.139 30.300 -0.497 0.000 1.182 321 R HN 0.546 nan 8.270 nan 0.000 0.479 322 S N 1.663 117.353 115.700 -0.017 0.000 2.549 322 S HA 0.547 5.026 4.470 0.015 0.000 0.280 322 S C -2.722 171.887 174.600 0.015 0.000 1.109 322 S CA -1.346 56.851 58.200 -0.004 0.000 0.905 322 S CB 2.351 65.563 63.200 0.020 0.000 1.081 322 S HN 0.418 nan 8.310 nan 0.000 0.477 323 P HA 0.338 nan 4.420 nan 0.000 0.284 323 P C -1.223 175.994 177.300 -0.137 0.000 1.253 323 P CA -0.162 62.864 63.100 -0.123 0.000 0.800 323 P CB 0.624 32.181 31.700 -0.239 0.000 0.961 324 H N 1.326 120.063 119.070 -0.555 0.000 2.821 324 H HA 0.562 5.127 4.556 0.015 0.000 0.373 324 H C -0.394 174.614 175.328 -0.534 0.000 1.165 324 H CA -0.923 54.736 56.048 -0.649 0.000 1.154 324 H CB 2.218 31.296 29.762 -1.140 0.000 1.765 324 H HN 0.286 nan 8.280 nan 0.000 0.549 325 I N 2.000 122.519 120.570 -0.085 0.000 2.545 325 I HA 0.219 4.398 4.170 0.015 0.000 0.292 325 I C -0.759 175.532 176.117 0.290 0.000 1.040 325 I CA -0.430 60.965 61.300 0.157 0.000 1.068 325 I CB 2.171 40.279 38.000 0.180 0.000 1.251 325 I HN 0.535 nan 8.210 nan 0.000 0.424 326 N N 3.445 122.395 118.700 0.418 0.000 2.405 326 N HA 0.349 5.098 4.740 0.015 0.000 0.285 326 N C -1.155 174.539 175.510 0.308 0.000 1.262 326 N CA -1.040 52.208 53.050 0.330 0.000 0.773 326 N CB 2.013 40.659 38.487 0.266 0.000 1.490 326 N HN 0.435 nan 8.380 nan 0.000 0.486 327 K N 1.078 121.616 120.400 0.231 0.000 2.414 327 K HA 0.253 4.582 4.320 0.015 0.000 0.272 327 K C -1.102 175.445 176.600 -0.088 0.000 0.993 327 K CA -0.012 56.303 56.287 0.046 0.000 0.964 327 K CB 0.432 32.923 32.500 -0.015 0.000 0.925 327 K HN 0.472 nan 8.250 nan 0.000 0.487 328 L N 4.083 125.171 121.223 -0.225 0.000 2.365 328 L HA 0.486 4.835 4.340 0.015 0.000 0.273 328 L C -1.553 175.041 176.870 -0.459 0.000 1.000 328 L CA -0.850 53.753 54.840 -0.395 0.000 0.819 328 L CB 1.944 43.668 42.059 -0.559 0.000 1.284 328 L HN 0.378 nan 8.230 nan 0.000 0.418 329 V N 3.441 123.046 119.914 -0.516 0.000 2.444 329 V HA 0.386 4.515 4.120 0.015 0.000 0.294 329 V C -0.777 174.944 176.094 -0.621 0.000 1.022 329 V CA -0.556 61.487 62.300 -0.428 0.000 0.850 329 V CB 1.363 33.044 31.823 -0.237 0.000 0.992 329 V HN 0.730 nan 8.190 nan 0.000 0.426 330 H N 3.119 121.836 119.070 -0.588 0.000 2.548 330 H HA 0.413 4.979 4.556 0.016 0.000 0.331 330 H C 0.290 175.410 175.328 -0.347 0.000 1.093 330 H CA -0.261 55.378 56.048 -0.680 0.000 1.367 330 H CB 0.690 29.619 29.762 -1.388 0.000 1.455 330 H HN 0.548 nan 8.280 nan 0.000 0.519 331 N N 0.805 119.440 118.700 -0.107 0.000 2.408 331 N HA 0.116 4.865 4.740 0.015 0.000 0.260 331 N C 1.087 176.624 175.510 0.045 0.000 1.242 331 N CA 0.138 53.172 53.050 -0.026 0.000 0.959 331 N CB 0.987 39.463 38.487 -0.018 0.000 1.201 331 N HN 0.745 nan 8.380 nan 0.000 0.511 332 A N 0.478 123.329 122.820 0.052 0.000 1.986 332 A HA -0.212 4.117 4.320 0.015 0.000 0.220 332 A C 1.228 178.865 177.584 0.088 0.000 1.171 332 A CA 2.048 54.130 52.037 0.075 0.000 0.640 332 A CB -0.502 18.528 19.000 0.049 0.000 0.811 332 A HN 0.790 nan 8.150 nan 0.000 0.451 333 D N -2.205 118.240 120.400 0.074 0.000 2.349 333 D HA 0.261 4.910 4.640 0.015 0.000 0.224 333 D C 1.188 177.561 176.300 0.122 0.000 1.029 333 D CA 1.005 55.053 54.000 0.080 0.000 0.879 333 D CB -0.607 40.227 40.800 0.057 0.000 0.906 333 D HN 0.817 nan 8.370 nan 0.000 0.528 334 G N 0.217 109.117 108.800 0.166 0.000 2.199 334 G HA2 -0.314 3.656 3.960 0.015 0.000 0.254 334 G HA3 -0.314 3.656 3.960 0.015 0.000 0.254 334 G C 0.496 175.568 174.900 0.287 0.000 0.982 334 G CA 0.541 45.803 45.100 0.270 0.000 0.632 334 G HN 0.853 nan 8.290 nan 0.000 0.529 335 S N -0.168 115.642 115.700 0.185 0.000 2.600 335 S HA 0.681 5.160 4.470 0.015 0.000 0.265 335 S C 0.275 174.874 174.600 -0.001 0.000 1.325 335 S CA -0.242 58.083 58.200 0.209 0.000 1.002 335 S CB 1.459 64.743 63.200 0.141 0.000 0.921 335 S HN 0.669 nan 8.310 nan 0.000 0.554 336 I N 1.406 121.916 120.570 -0.099 0.000 2.433 336 I HA 0.266 4.446 4.170 0.015 0.000 0.292 336 I C 0.291 176.263 176.117 -0.242 0.000 1.001 336 I CA -0.675 60.357 61.300 -0.447 0.000 1.119 336 I CB 1.788 39.208 38.000 -0.967 0.000 1.289 336 I HN 0.691 nan 8.210 nan 0.000 0.438 337 Q N 4.526 124.169 119.800 -0.262 0.000 2.394 337 Q HA 0.140 4.490 4.340 0.015 0.000 0.248 337 Q C -0.379 175.556 176.000 -0.110 0.000 0.992 337 Q CA -0.510 55.202 55.803 -0.152 0.000 0.888 337 Q CB 0.831 29.483 28.738 -0.143 0.000 1.257 337 Q HN 0.391 nan 8.270 nan 0.000 0.462 338 E N 1.299 121.475 120.200 -0.040 0.000 2.480 338 E HA -0.019 4.340 4.350 0.015 0.000 0.258 338 E C -0.635 175.969 176.600 0.007 0.000 0.984 338 E CA 0.147 56.562 56.400 0.025 0.000 0.930 338 E CB 0.565 30.293 29.700 0.047 0.000 0.936 338 E HN 0.268 nan 8.360 nan 0.000 0.466 339 V N 2.651 122.579 119.914 0.024 0.000 2.572 339 V HA 0.070 4.199 4.120 0.015 0.000 0.291 339 V C 0.675 176.736 176.094 -0.056 0.000 1.039 339 V CA -0.064 62.207 62.300 -0.049 0.000 1.055 339 V CB 1.098 32.878 31.823 -0.072 0.000 0.969 339 V HN 0.700 nan 8.190 nan 0.000 0.482 340 A N 5.473 128.257 122.820 -0.060 0.000 3.004 340 A HA 0.647 4.977 4.320 0.015 0.000 0.286 340 A C 0.798 178.263 177.584 -0.198 0.000 1.632 340 A CA -0.026 51.979 52.037 -0.052 0.000 1.339 340 A CB -0.494 18.514 19.000 0.014 0.000 1.136 340 A HN 1.173 nan 8.150 nan 0.000 0.577 341 A N 3.137 125.562 122.820 -0.659 0.000 2.488 341 A HA 0.510 4.840 4.320 0.015 0.000 0.249 341 A C 0.454 177.802 177.584 -0.394 0.000 1.083 341 A CA 0.230 51.832 52.037 -0.724 0.000 0.768 341 A CB -0.128 17.894 19.000 -1.631 0.000 1.017 341 A HN 1.136 nan 8.150 nan 0.000 0.496 342 N N 0.442 119.241 118.700 0.164 0.000 3.378 342 N HA 0.244 4.994 4.740 0.015 0.000 0.294 342 N C -0.366 175.359 175.510 0.359 0.000 1.544 342 N CA -0.520 52.682 53.050 0.254 0.000 0.872 342 N CB 0.059 38.656 38.487 0.183 0.000 1.670 342 N HN 0.211 nan 8.380 nan 0.000 0.551 343 Y N -0.518 120.038 120.300 0.427 0.000 2.347 343 Y HA 0.420 4.979 4.550 0.016 0.000 0.294 343 Y C 2.451 178.449 175.900 0.164 0.000 1.117 343 Y CA 1.450 59.699 58.100 0.248 0.000 1.184 343 Y CB -0.551 38.062 38.460 0.256 0.000 1.047 343 Y HN 0.746 nan 8.280 nan 0.000 0.546 344 A N 0.416 123.438 122.820 0.336 0.000 1.917 344 A HA 0.113 4.442 4.320 0.015 0.000 0.219 344 A C 2.050 179.764 177.584 0.216 0.000 1.182 344 A CA 1.767 53.954 52.037 0.250 0.000 0.633 344 A CB -1.400 17.725 19.000 0.207 0.000 0.819 344 A HN 0.589 nan 8.150 nan 0.000 0.448 345 G N -2.314 106.606 108.800 0.199 0.000 2.552 345 G HA2 -0.176 3.793 3.960 0.015 0.000 0.265 345 G HA3 -0.176 3.793 3.960 0.015 0.000 0.265 345 G C -0.032 174.980 174.900 0.186 0.000 1.234 345 G CA 0.007 45.215 45.100 0.179 0.000 0.944 345 G HN 1.128 nan 8.290 nan 0.000 0.568 346 V N 1.436 121.460 119.914 0.184 0.000 2.407 346 V HA 0.502 4.631 4.120 0.015 0.000 0.278 346 V C 1.040 177.234 176.094 0.168 0.000 1.037 346 V CA 0.198 62.613 62.300 0.193 0.000 0.900 346 V CB 1.189 33.120 31.823 0.181 0.000 0.983 346 V HN 0.912 nan 8.190 nan 0.000 0.459 347 T N 4.791 119.441 114.554 0.161 0.000 2.928 347 T HA 0.057 4.416 4.350 0.015 0.000 0.305 347 T C 0.264 175.032 174.700 0.112 0.000 1.035 347 T CA 0.187 62.371 62.100 0.139 0.000 1.145 347 T CB 0.311 69.251 68.868 0.119 0.000 0.963 347 T HN 0.796 nan 8.240 nan 0.000 0.545 348 Q N 2.381 122.239 119.800 0.096 0.000 2.283 348 Q HA 0.009 4.359 4.340 0.015 0.000 0.301 348 Q C 1.184 177.206 176.000 0.036 0.000 1.063 348 Q CA 0.119 55.948 55.803 0.044 0.000 0.952 348 Q CB 0.194 28.956 28.738 0.040 0.000 1.166 348 Q HN 0.806 nan 8.270 nan 0.000 0.381 349 I N -0.117 120.463 120.570 0.017 0.000 3.462 349 I HA 0.200 4.379 4.170 0.015 0.000 0.290 349 I C 0.051 176.159 176.117 -0.015 0.000 1.236 349 I CA -0.083 61.227 61.300 0.017 0.000 1.418 349 I CB 0.410 38.429 38.000 0.032 0.000 1.102 349 I HN 0.432 nan 8.210 nan 0.000 0.441 350 S N 0.423 116.104 115.700 -0.031 0.000 2.570 350 S HA 0.474 4.953 4.470 0.015 0.000 0.270 350 S C -0.836 173.738 174.600 -0.045 0.000 1.149 350 S CA -0.983 57.194 58.200 -0.039 0.000 0.837 350 S CB 1.542 64.711 63.200 -0.052 0.000 1.124 350 S HN 0.158 nan 8.310 nan 0.000 0.465 351 N N 0.465 119.141 118.700 -0.041 0.000 2.399 351 N HA 0.385 5.134 4.740 0.015 0.000 0.250 351 N C -0.682 174.790 175.510 -0.062 0.000 1.272 351 N CA -0.448 52.573 53.050 -0.049 0.000 0.928 351 N CB 0.257 38.715 38.487 -0.048 0.000 1.158 351 N HN 0.684 nan 8.380 nan 0.000 0.463 352 L N 1.396 122.577 121.223 -0.071 0.000 2.307 352 L HA 0.333 4.682 4.340 0.015 0.000 0.282 352 L C -0.095 176.722 176.870 -0.090 0.000 1.051 352 L CA -0.508 54.292 54.840 -0.068 0.000 0.804 352 L CB 0.665 42.706 42.059 -0.031 0.000 1.197 352 L HN 0.403 nan 8.230 nan 0.000 0.431 353 N N 6.210 124.871 118.700 -0.065 0.000 2.437 353 N HA 0.325 5.075 4.740 0.015 0.000 0.243 353 N C -2.072 173.396 175.510 -0.069 0.000 1.041 353 N CA -2.046 50.969 53.050 -0.057 0.000 0.940 353 N CB 1.213 39.713 38.487 0.021 0.000 1.133 353 N HN 0.447 nan 8.380 nan 0.000 0.506 354 P HA 0.040 nan 4.420 nan 0.000 0.249 354 P C -0.008 177.355 177.300 0.104 0.000 1.229 354 P CA 0.481 63.592 63.100 0.019 0.000 0.788 354 P CB 0.014 31.444 31.700 -0.451 0.000 1.072 355 Y N -0.848 119.615 120.300 0.271 0.000 2.462 355 Y HA 0.187 4.746 4.550 0.015 0.000 0.261 355 Y C 1.188 177.183 175.900 0.158 0.000 1.146 355 Y CA -0.437 57.822 58.100 0.265 0.000 1.283 355 Y CB -0.477 38.100 38.460 0.195 0.000 1.090 355 Y HN -0.053 nan 8.280 nan 0.000 0.526 356 N N 0.948 119.755 118.700 0.179 0.000 2.476 356 N HA 0.130 4.879 4.740 0.015 0.000 0.275 356 N C 0.005 175.500 175.510 -0.024 0.000 1.190 356 N CA -0.684 52.399 53.050 0.054 0.000 0.977 356 N CB 0.627 39.105 38.487 -0.015 0.000 1.200 356 N HN 0.102 nan 8.380 nan 0.000 0.515 357 R N 0.634 121.071 120.500 -0.105 0.000 2.484 357 R HA 0.139 4.488 4.340 0.015 0.000 0.293 357 R C -1.133 174.961 176.300 -0.343 0.000 1.023 357 R CA 0.115 56.080 56.100 -0.225 0.000 1.037 357 R CB 0.040 30.120 30.300 -0.367 0.000 0.951 357 R HN 0.218 nan 8.270 nan 0.000 0.418 358 V N 4.908 124.472 119.914 -0.584 0.000 2.487 358 V HA 0.174 4.303 4.120 0.015 0.000 0.298 358 V C -0.392 175.231 176.094 -0.785 0.000 1.028 358 V CA -0.960 60.854 62.300 -0.811 0.000 0.860 358 V CB 1.702 32.666 31.823 -1.433 0.000 0.991 358 V HN 0.791 nan 8.190 nan 0.000 0.427 359 E N 2.470 122.401 120.200 -0.448 0.000 2.414 359 E HA 0.152 4.511 4.350 0.015 0.000 0.263 359 E C 1.219 177.639 176.600 -0.300 0.000 1.000 359 E CA 0.462 56.688 56.400 -0.291 0.000 0.914 359 E CB 1.259 30.835 29.700 -0.206 0.000 0.948 359 E HN 0.769 nan 8.360 nan 0.000 0.444 360 A N 4.022 126.673 122.820 -0.282 0.000 1.940 360 A HA -0.205 4.125 4.320 0.015 0.000 0.219 360 A C 1.494 179.117 177.584 0.066 0.000 1.176 360 A CA 1.635 53.487 52.037 -0.308 0.000 0.631 360 A CB -0.347 18.039 19.000 -1.023 0.000 0.814 360 A HN 0.631 nan 8.150 nan 0.000 0.446 361 E N 0.221 120.440 120.200 0.030 0.000 2.485 361 E HA -0.015 4.344 4.350 0.015 0.000 0.194 361 E C -0.626 175.869 176.600 -0.174 0.000 1.098 361 E CA 0.448 56.895 56.400 0.078 0.000 0.878 361 E CB -0.683 29.015 29.700 -0.004 0.000 0.939 361 E HN 0.285 nan 8.360 nan 0.000 0.503 362 T N 2.588 117.090 114.554 -0.086 0.000 2.910 362 T HA 0.431 4.790 4.350 0.015 0.000 0.323 362 T C -0.741 173.990 174.700 0.052 0.000 1.091 362 T CA -0.576 61.426 62.100 -0.164 0.000 0.960 362 T CB -0.511 68.262 68.868 -0.157 0.000 1.024 362 T HN 0.234 nan 8.240 nan 0.000 0.509 363 F N -0.249 119.684 119.950 -0.029 0.000 2.662 363 F HA 0.822 5.359 4.527 0.016 0.000 0.312 363 F C 0.442 176.138 175.800 -0.175 0.000 1.113 363 F CA -1.649 56.336 58.000 -0.026 0.000 0.951 363 F CB 0.772 39.795 39.000 0.038 0.000 1.344 363 F HN 0.284 nan 8.300 nan 0.000 0.462 364 A N -0.077 122.686 122.820 -0.095 0.000 1.973 364 A HA 0.390 4.719 4.320 0.015 0.000 0.210 364 A C -0.232 176.868 177.584 -0.807 0.000 1.200 364 A CA 0.402 52.013 52.037 -0.710 0.000 0.707 364 A CB 0.030 18.131 19.000 -1.498 0.000 0.862 364 A HN 0.665 nan 8.150 nan 0.000 0.461 365 W N -0.818 120.683 121.300 0.334 0.000 3.083 365 W HA 0.497 5.166 4.660 0.016 0.000 0.333 365 W C -1.127 175.434 176.519 0.070 0.000 1.217 365 W CA -0.597 56.917 57.345 0.282 0.000 1.170 365 W CB 0.951 30.639 29.460 0.381 0.000 1.437 365 W HN 0.476 nan 8.180 nan 0.000 0.557 366 N N -0.359 118.292 118.700 -0.083 0.000 2.598 366 N HA 0.711 5.461 4.740 0.015 0.000 0.263 366 N C -1.244 173.579 175.510 -1.144 0.000 1.254 366 N CA -0.729 51.801 53.050 -0.867 0.000 0.863 366 N CB 2.155 40.123 38.487 -0.865 0.000 1.586 366 N HN 0.567 nan 8.380 nan 0.000 0.491 367 G N 0.832 108.609 108.800 -1.704 0.000 2.513 367 G HA2 0.530 4.499 3.960 0.015 0.000 0.282 367 G HA3 0.530 4.499 3.960 0.015 0.000 0.282 367 G C -1.450 173.036 174.900 -0.690 0.000 1.397 367 G CA -0.705 43.823 45.100 -0.953 0.000 1.291 367 G HN 0.536 nan 8.290 nan 0.000 0.596 368 R N 1.794 122.105 120.500 -0.316 0.000 2.483 368 R HA 0.573 4.922 4.340 0.015 0.000 0.303 368 R C -0.497 175.718 176.300 -0.141 0.000 0.987 368 R CA -0.676 55.292 56.100 -0.220 0.000 0.881 368 R CB 1.882 32.123 30.300 -0.099 0.000 1.177 368 R HN 0.600 nan 8.270 nan 0.000 0.451 369 I N -0.397 120.089 120.570 -0.140 0.000 3.445 369 I HA 0.654 4.834 4.170 0.015 0.000 0.303 369 I C -0.949 175.194 176.117 0.044 0.000 1.129 369 I CA -1.191 60.065 61.300 -0.073 0.000 0.989 369 I CB 0.988 38.920 38.000 -0.113 0.000 1.314 369 I HN 0.364 nan 8.210 nan 0.000 0.488 370 L N 0.230 121.506 121.223 0.087 0.000 2.309 370 L HA 0.816 5.165 4.340 0.015 0.000 0.261 370 L C -0.595 176.419 176.870 0.241 0.000 1.021 370 L CA -0.674 54.288 54.840 0.204 0.000 0.823 370 L CB 2.464 44.597 42.059 0.123 0.000 1.366 370 L HN 0.926 nan 8.230 nan 0.000 0.423 371 T N -1.769 112.975 114.554 0.317 0.000 2.887 371 T HA 0.707 5.066 4.350 0.015 0.000 0.288 371 T C -0.878 173.877 174.700 0.092 0.000 1.021 371 T CA -0.768 61.474 62.100 0.236 0.000 1.000 371 T CB 2.175 71.218 68.868 0.291 0.000 1.034 371 T HN 0.737 nan 8.240 nan 0.000 0.467 372 E N 0.892 121.112 120.200 0.032 0.000 2.390 372 E HA 0.403 4.762 4.350 0.015 0.000 0.277 372 E C -1.085 175.384 176.600 -0.218 0.000 0.939 372 E CA -1.343 55.011 56.400 -0.076 0.000 0.769 372 E CB 1.504 31.198 29.700 -0.010 0.000 1.251 372 E HN 0.647 nan 8.360 nan 0.000 0.450 373 K N 1.188 121.477 120.400 -0.185 0.000 2.403 373 K HA -0.179 4.150 4.320 0.015 0.000 0.244 373 K C -0.745 175.636 176.600 -0.365 0.000 1.095 373 K CA 0.737 56.900 56.287 -0.208 0.000 1.146 373 K CB -0.143 32.295 32.500 -0.103 0.000 0.784 373 K HN 0.492 nan 8.250 nan 0.000 0.504 374 S N 1.967 117.447 115.700 -0.368 0.000 2.565 374 S HA 0.223 4.703 4.470 0.015 0.000 0.290 374 S C 1.147 175.701 174.600 -0.076 0.000 1.150 374 S CA -0.333 57.662 58.200 -0.342 0.000 1.058 374 S CB 1.330 64.356 63.200 -0.290 0.000 1.032 374 S HN 0.631 nan 8.310 nan 0.000 0.510 375 T N 1.484 116.132 114.554 0.157 0.000 3.129 375 T HA 0.342 4.702 4.350 0.015 0.000 0.251 375 T C 0.670 175.324 174.700 -0.077 0.000 1.117 375 T CA 0.158 62.352 62.100 0.158 0.000 1.034 375 T CB -0.278 68.814 68.868 0.375 0.000 0.968 375 T HN 0.704 nan 8.240 nan 0.000 0.526 376 A N 3.124 125.573 122.820 -0.619 0.000 2.520 376 A HA 0.472 4.801 4.320 0.015 0.000 0.245 376 A C -2.106 175.209 177.584 -0.448 0.000 1.072 376 A CA -1.185 50.118 52.037 -1.224 0.000 0.761 376 A CB -0.330 17.737 19.000 -1.555 0.000 1.004 376 A HN 0.275 nan 8.150 nan 0.000 0.499 377 P HA 0.342 nan 4.420 nan 0.000 0.267 377 P C 1.045 178.279 177.300 -0.110 0.000 1.200 377 P CA 1.711 64.751 63.100 -0.101 0.000 0.772 377 P CB 0.467 32.158 31.700 -0.014 0.000 0.855 378 G N 1.298 110.045 108.800 -0.088 0.000 2.569 378 G HA2 0.269 4.238 3.960 0.015 0.000 0.259 378 G HA3 0.269 4.238 3.960 0.015 0.000 0.259 378 G C 0.169 174.995 174.900 -0.123 0.000 1.263 378 G CA 0.165 45.209 45.100 -0.093 0.000 0.928 378 G HN 1.188 nan 8.290 nan 0.000 0.572 379 G N -1.539 107.176 108.800 -0.141 0.000 2.756 379 G HA2 0.380 4.349 3.960 0.015 0.000 0.678 379 G HA3 0.380 4.349 3.960 0.015 0.000 0.678 379 G C -1.458 173.367 174.900 -0.125 0.000 1.349 379 G CA 0.674 45.681 45.100 -0.156 0.000 0.847 379 G HN 1.583 nan 8.290 nan 0.000 0.548 380 P HA 0.493 nan 4.420 nan 0.000 0.275 380 P C 0.505 177.764 177.300 -0.069 0.000 1.266 380 P CA -0.454 62.598 63.100 -0.080 0.000 0.793 380 P CB 0.377 32.050 31.700 -0.045 0.000 1.074 381 V N 1.384 121.255 119.914 -0.071 0.000 2.617 381 V HA -0.094 4.036 4.120 0.015 0.000 0.304 381 V C 1.250 177.323 176.094 -0.036 0.000 1.040 381 V CA 0.886 63.139 62.300 -0.077 0.000 1.149 381 V CB -1.312 30.434 31.823 -0.128 0.000 0.914 381 V HN 0.832 nan 8.190 nan 0.000 0.487 382 N N 2.367 121.045 118.700 -0.037 0.000 2.735 382 N HA -0.214 4.535 4.740 0.015 0.000 0.248 382 N C 0.146 175.639 175.510 -0.028 0.000 1.083 382 N CA 0.933 53.973 53.050 -0.018 0.000 0.703 382 N CB -1.377 37.125 38.487 0.025 0.000 1.005 382 N HN 0.927 nan 8.380 nan 0.000 0.550 383 N N 0.938 119.603 118.700 -0.058 0.000 2.217 383 N HA -0.087 4.663 4.740 0.015 0.000 0.268 383 N C -0.186 175.252 175.510 -0.120 0.000 1.290 383 N CA 0.804 53.803 53.050 -0.086 0.000 0.831 383 N CB 0.449 38.864 38.487 -0.120 0.000 1.057 383 N HN 0.207 nan 8.380 nan 0.000 0.481 384 Q N 1.763 121.496 119.800 -0.111 0.000 2.252 384 Q HA 0.378 4.727 4.340 0.015 0.000 0.256 384 Q C -0.232 175.716 176.000 -0.088 0.000 1.020 384 Q CA -0.551 55.167 55.803 -0.142 0.000 0.913 384 Q CB 1.581 30.271 28.738 -0.080 0.000 1.286 384 Q HN 0.886 nan 8.270 nan 0.000 0.480 385 H N -3.261 115.831 119.070 0.038 0.000 2.949 385 H HA 0.612 5.177 4.556 0.016 0.000 0.356 385 H C -0.902 174.491 175.328 0.109 0.000 1.212 385 H CA -1.109 54.990 56.048 0.085 0.000 1.136 385 H CB 0.949 30.840 29.762 0.215 0.000 1.869 385 H HN 0.220 nan 8.280 nan 0.000 0.556 386 V N 1.490 121.595 119.914 0.319 0.000 2.530 386 V HA 0.239 4.368 4.120 0.015 0.000 0.282 386 V C 0.550 176.726 176.094 0.136 0.000 1.048 386 V CA 0.282 62.708 62.300 0.210 0.000 0.997 386 V CB 0.968 32.872 31.823 0.136 0.000 0.987 386 V HN 0.923 nan 8.190 nan 0.000 0.477 387 T N 2.170 116.783 114.554 0.098 0.000 2.654 387 T HA 0.437 4.796 4.350 0.015 0.000 0.289 387 T C 0.275 174.941 174.700 -0.056 0.000 1.062 387 T CA 0.325 62.420 62.100 -0.008 0.000 1.041 387 T CB 1.669 70.603 68.868 0.110 0.000 1.417 387 T HN 1.063 nan 8.240 nan 0.000 0.510 388 S N 0.256 115.910 115.700 -0.075 0.000 3.631 388 S HA -0.138 4.341 4.470 0.015 0.000 0.366 388 S C -0.076 174.444 174.600 -0.133 0.000 0.993 388 S CA 0.396 58.550 58.200 -0.077 0.000 1.167 388 S CB -1.944 61.246 63.200 -0.018 0.000 0.909 388 S HN 0.479 nan 8.310 nan 0.000 0.478 389 I N 2.117 122.535 120.570 -0.254 0.000 2.312 389 I HA 0.326 4.505 4.170 0.015 0.000 0.291 389 I C 0.474 176.426 176.117 -0.274 0.000 1.031 389 I CA -0.379 60.705 61.300 -0.361 0.000 1.293 389 I CB 1.240 38.736 38.000 -0.841 0.000 1.403 389 I HN 0.347 nan 8.210 nan 0.000 0.484 390 Q N 4.053 123.777 119.800 -0.126 0.000 2.378 390 Q HA 0.325 4.674 4.340 0.015 0.000 0.276 390 Q C -0.302 175.699 176.000 0.000 0.000 1.083 390 Q CA -0.960 54.799 55.803 -0.074 0.000 0.856 390 Q CB 1.033 29.749 28.738 -0.037 0.000 1.383 390 Q HN 0.469 nan 8.270 nan 0.000 0.458 391 N N 0.107 118.816 118.700 0.015 0.000 2.359 391 N HA 0.183 4.932 4.740 0.015 0.000 0.261 391 N C 0.643 176.208 175.510 0.091 0.000 1.267 391 N CA 1.919 55.007 53.050 0.063 0.000 0.864 391 N CB 0.152 38.666 38.487 0.045 0.000 1.063 391 N HN 0.743 nan 8.380 nan 0.000 0.474 392 G N 2.093 110.975 108.800 0.137 0.000 2.195 392 G HA2 -0.249 3.720 3.960 0.015 0.000 0.246 392 G HA3 -0.249 3.720 3.960 0.015 0.000 0.246 392 G C -0.158 174.885 174.900 0.238 0.000 0.984 392 G CA 0.169 45.365 45.100 0.160 0.000 0.633 392 G HN 0.665 nan 8.290 nan 0.000 0.525 393 D N 0.479 121.007 120.400 0.214 0.000 2.360 393 D HA 0.564 5.213 4.640 0.015 0.000 0.242 393 D C 0.915 177.385 176.300 0.284 0.000 1.184 393 D CA 0.914 55.025 54.000 0.186 0.000 0.930 393 D CB 0.405 41.314 40.800 0.182 0.000 1.161 393 D HN 0.625 nan 8.370 nan 0.000 0.447 394 W N 0.301 121.652 121.300 0.085 0.000 3.066 394 W HA 0.548 5.217 4.660 0.015 0.000 0.330 394 W C -1.441 175.053 176.519 -0.041 0.000 1.253 394 W CA -0.992 56.245 57.345 -0.180 0.000 1.187 394 W CB 0.108 29.541 29.460 -0.044 0.000 1.434 394 W HN 0.285 nan 8.180 nan 0.000 0.572 395 I N 0.236 120.927 120.570 0.202 0.000 2.892 395 I HA 0.983 5.162 4.170 0.015 0.000 0.306 395 I C -0.923 175.373 176.117 0.298 0.000 1.078 395 I CA -1.148 60.239 61.300 0.146 0.000 1.032 395 I CB 2.027 40.020 38.000 -0.012 0.000 1.229 395 I HN 0.630 nan 8.210 nan 0.000 0.435 396 A N 3.432 126.364 122.820 0.186 0.000 2.515 396 A HA 0.778 5.108 4.320 0.015 0.000 0.298 396 A C -0.763 176.854 177.584 0.055 0.000 1.059 396 A CA -0.596 51.316 52.037 -0.209 0.000 0.698 396 A CB 1.783 20.181 19.000 -1.003 0.000 1.289 396 A HN 1.068 nan 8.150 nan 0.000 0.404 397 V N -0.145 119.772 119.914 0.005 0.000 2.630 397 V HA 0.919 5.048 4.120 0.015 0.000 0.305 397 V C 0.560 176.695 176.094 0.068 0.000 1.046 397 V CA -0.152 62.191 62.300 0.072 0.000 0.934 397 V CB 1.271 33.234 31.823 0.233 0.000 1.003 397 V HN 1.415 nan 8.190 nan 0.000 0.451 398 G N 1.490 110.291 108.800 0.001 0.000 2.395 398 G HA2 0.431 4.400 3.960 0.015 0.000 0.283 398 G HA3 0.431 4.400 3.960 0.015 0.000 0.283 398 G C -0.000 174.942 174.900 0.071 0.000 1.178 398 G CA -0.550 44.637 45.100 0.146 0.000 0.837 398 G HN 1.093 nan 8.290 nan 0.000 0.518 399 N N -1.042 117.717 118.700 0.098 0.000 2.686 399 N HA -0.163 4.587 4.740 0.015 0.000 0.261 399 N C 0.467 175.952 175.510 -0.041 0.000 1.001 399 N CA 0.807 53.873 53.050 0.026 0.000 0.764 399 N CB -1.071 37.428 38.487 0.020 0.000 0.898 399 N HN 1.021 nan 8.380 nan 0.000 0.544 400 A N 0.181 122.953 122.820 -0.080 0.000 2.450 400 A HA 0.297 4.626 4.320 0.015 0.000 0.255 400 A C 0.376 177.747 177.584 -0.355 0.000 1.096 400 A CA -0.190 51.690 52.037 -0.263 0.000 0.778 400 A CB 0.460 19.200 19.000 -0.434 0.000 1.031 400 A HN 0.252 nan 8.150 nan 0.000 0.494 401 D N 2.315 122.510 120.400 -0.341 0.000 2.454 401 D HA 0.395 5.044 4.640 0.015 0.000 0.225 401 D C -0.081 176.082 176.300 -0.229 0.000 1.081 401 D CA -0.401 53.481 54.000 -0.197 0.000 0.864 401 D CB -0.026 40.734 40.800 -0.066 0.000 1.040 401 D HN 0.331 nan 8.370 nan 0.000 0.517 402 F N 2.279 122.234 119.950 0.009 0.000 2.661 402 F HA 0.227 4.764 4.527 0.016 0.000 0.298 402 F C 1.939 177.909 175.800 0.283 0.000 1.137 402 F CA 0.851 58.901 58.000 0.084 0.000 1.454 402 F CB -0.302 38.710 39.000 0.019 0.000 1.103 402 F HN 0.570 nan 8.300 nan 0.000 0.577 403 G N 0.145 109.129 108.800 0.308 0.000 2.828 403 G HA2 -0.067 3.902 3.960 0.015 0.000 0.463 403 G HA3 -0.067 3.902 3.960 0.015 0.000 0.463 403 G C 0.851 175.860 174.900 0.182 0.000 1.394 403 G CA -0.424 44.806 45.100 0.216 0.000 0.862 403 G HN 0.463 nan 8.290 nan 0.000 0.540 404 A N -0.521 122.368 122.820 0.116 0.000 1.930 404 A HA 0.286 4.615 4.320 0.015 0.000 0.217 404 A C 2.833 180.469 177.584 0.087 0.000 1.175 404 A CA 2.639 54.729 52.037 0.087 0.000 0.627 404 A CB -0.880 18.154 19.000 0.057 0.000 0.815 404 A HN 2.334 nan 8.150 nan 0.000 0.443 405 G N -1.247 107.603 108.800 0.084 0.000 2.421 405 G HA2 0.380 4.349 3.960 0.015 0.000 0.217 405 G HA3 0.380 4.349 3.960 0.015 0.000 0.217 405 G C 1.110 176.070 174.900 0.100 0.000 1.143 405 G CA 0.754 45.895 45.100 0.068 0.000 0.784 405 G HN 1.746 nan 8.290 nan 0.000 0.541 406 G N -1.136 107.773 108.800 0.182 0.000 2.728 406 G HA2 0.386 4.355 3.960 0.015 0.000 0.294 406 G HA3 0.386 4.355 3.960 0.015 0.000 0.294 406 G C -0.056 175.025 174.900 0.302 0.000 1.342 406 G CA -0.238 45.002 45.100 0.233 0.000 0.866 406 G HN 1.373 nan 8.290 nan 0.000 0.534 407 A N -0.519 122.468 122.820 0.280 0.000 2.303 407 A HA 0.843 5.172 4.320 0.015 0.000 0.317 407 A C 1.213 178.962 177.584 0.276 0.000 1.149 407 A CA 0.761 53.063 52.037 0.442 0.000 0.822 407 A CB 1.391 20.691 19.000 0.500 0.000 1.131 407 A HN 1.361 nan 8.150 nan 0.000 0.493 408 R N 0.356 121.040 120.500 0.307 0.000 2.142 408 R HA 0.153 4.503 4.340 0.015 0.000 0.204 408 R C 0.461 176.901 176.300 0.233 0.000 1.059 408 R CA 1.339 57.563 56.100 0.208 0.000 1.055 408 R CB 0.120 30.517 30.300 0.160 0.000 0.976 408 R HN 0.867 nan 8.270 nan 0.000 0.483 409 S N -1.451 114.444 115.700 0.325 0.000 2.638 409 S HA 0.492 4.971 4.470 0.015 0.000 0.274 409 S C -1.358 173.471 174.600 0.382 0.000 1.157 409 S CA -0.939 57.435 58.200 0.289 0.000 0.826 409 S CB 1.674 64.985 63.200 0.185 0.000 1.139 409 S HN 0.136 nan 8.310 nan 0.000 0.474 410 F N 1.081 121.047 119.950 0.028 0.000 2.539 410 F HA 0.689 5.225 4.527 0.015 0.000 0.318 410 F C -0.907 174.828 175.800 -0.109 0.000 1.135 410 F CA -0.559 57.305 58.000 -0.227 0.000 0.915 410 F CB 1.685 40.455 39.000 -0.384 0.000 1.176 410 F HN 0.735 nan 8.300 nan 0.000 0.440 411 K N 4.787 124.781 120.400 -0.677 0.000 2.207 411 K HA 0.881 5.210 4.320 0.015 0.000 0.255 411 K C -1.350 174.740 176.600 -0.849 0.000 0.941 411 K CA -1.192 54.778 56.287 -0.527 0.000 0.825 411 K CB 2.115 34.516 32.500 -0.165 0.000 1.119 411 K HN 0.664 nan 8.250 nan 0.000 0.430 412 A N 2.215 124.679 122.820 -0.593 0.000 2.398 412 A HA 0.373 4.702 4.320 0.015 0.000 0.301 412 A C -1.264 176.110 177.584 -0.350 0.000 1.041 412 A CA -0.773 51.007 52.037 -0.427 0.000 0.711 412 A CB 1.119 19.851 19.000 -0.447 0.000 1.240 412 A HN 0.695 nan 8.150 nan 0.000 0.420 413 N N 1.057 119.485 118.700 -0.454 0.000 2.414 413 N HA 0.543 5.292 4.740 0.015 0.000 0.256 413 N C -0.616 175.007 175.510 0.188 0.000 1.029 413 N CA 0.069 52.930 53.050 -0.315 0.000 0.948 413 N CB 1.179 39.148 38.487 -0.863 0.000 1.102 413 N HN 0.867 nan 8.380 nan 0.000 0.496 414 V N 0.294 120.321 119.914 0.188 0.000 3.007 414 V HA 1.006 5.135 4.120 0.015 0.000 0.311 414 V C -0.797 175.098 176.094 -0.331 0.000 1.120 414 V CA -1.278 61.033 62.300 0.017 0.000 0.980 414 V CB 1.342 32.988 31.823 -0.296 0.000 1.033 414 V HN 0.658 nan 8.190 nan 0.000 0.429 415 A N 1.632 124.009 122.820 -0.738 0.000 2.381 415 A HA 0.929 5.259 4.320 0.015 0.000 0.299 415 A C -0.529 176.773 177.584 -0.470 0.000 1.049 415 A CA -0.240 51.249 52.037 -0.913 0.000 0.715 415 A CB 1.783 19.675 19.000 -1.846 0.000 1.222 415 A HN 1.613 nan 8.150 nan 0.000 0.428 416 S N 0.213 115.727 115.700 -0.310 0.000 2.543 416 S HA 0.545 5.024 4.470 0.015 0.000 0.271 416 S C 0.987 175.508 174.600 -0.131 0.000 1.148 416 S CA 0.280 58.389 58.200 -0.151 0.000 0.914 416 S CB 1.381 64.537 63.200 -0.074 0.000 1.096 416 S HN 1.433 nan 8.310 nan 0.000 0.471 417 T N 2.386 116.883 114.554 -0.094 0.000 2.852 417 T HA 0.154 4.513 4.350 0.015 0.000 0.256 417 T C 1.406 176.075 174.700 -0.052 0.000 1.038 417 T CA 0.721 62.777 62.100 -0.073 0.000 1.141 417 T CB -0.341 68.490 68.868 -0.061 0.000 0.869 417 T HN 0.494 nan 8.240 nan 0.000 0.439 418 L N 0.362 121.565 121.223 -0.033 0.000 2.701 418 L HA 0.515 4.864 4.340 0.015 0.000 0.238 418 L C 1.333 178.200 176.870 -0.006 0.000 1.106 418 L CA 0.131 54.959 54.840 -0.019 0.000 0.898 418 L CB 0.071 42.123 42.059 -0.012 0.000 1.188 418 L HN 0.753 nan 8.230 nan 0.000 0.508 419 G N -0.460 108.345 108.800 0.008 0.000 2.710 419 G HA2 0.232 4.202 3.960 0.015 0.000 0.668 419 G HA3 0.232 4.202 3.960 0.015 0.000 0.668 419 G C -0.294 174.672 174.900 0.109 0.000 1.320 419 G CA -0.539 44.570 45.100 0.014 0.000 0.860 419 G HN 0.539 nan 8.290 nan 0.000 0.538 420 G N -1.106 107.747 108.800 0.088 0.000 2.364 420 G HA2 0.709 4.678 3.960 0.015 0.000 0.286 420 G HA3 0.709 4.678 3.960 0.015 0.000 0.286 420 G C -1.401 173.544 174.900 0.076 0.000 1.241 420 G CA 0.086 45.307 45.100 0.201 0.000 0.887 420 G HN 0.890 nan 8.290 nan 0.000 0.484 421 K N -0.547 119.963 120.400 0.184 0.000 2.469 421 K HA 0.641 4.971 4.320 0.015 0.000 0.254 421 K C -1.253 175.458 176.600 0.185 0.000 0.939 421 K CA -0.690 55.643 56.287 0.076 0.000 0.812 421 K CB 2.809 35.353 32.500 0.073 0.000 1.301 421 K HN 0.345 nan 8.250 nan 0.000 0.433 422 I N 2.357 122.961 120.570 0.056 0.000 2.354 422 I HA 0.189 4.368 4.170 0.015 0.000 0.286 422 I C -0.327 175.824 176.117 0.057 0.000 1.007 422 I CA -0.503 60.886 61.300 0.149 0.000 1.167 422 I CB 1.483 39.517 38.000 0.057 0.000 1.320 422 I HN 0.406 nan 8.210 nan 0.000 0.458 423 E N 5.298 125.527 120.200 0.048 0.000 2.259 423 E HA 0.327 4.687 4.350 0.015 0.000 0.281 423 E C -0.887 175.680 176.600 -0.056 0.000 1.027 423 E CA -0.526 55.861 56.400 -0.022 0.000 0.838 423 E CB 2.046 31.728 29.700 -0.031 0.000 1.066 423 E HN 0.282 nan 8.360 nan 0.000 0.401 424 V N 5.006 124.845 119.914 -0.125 0.000 2.333 424 V HA 0.319 4.449 4.120 0.015 0.000 0.274 424 V C 0.065 176.049 176.094 -0.184 0.000 1.028 424 V CA -0.449 61.737 62.300 -0.190 0.000 0.851 424 V CB 0.566 32.209 31.823 -0.299 0.000 1.000 424 V HN 0.584 nan 8.190 nan 0.000 0.456 425 R N 4.449 124.829 120.500 -0.201 0.000 2.740 425 R HA 0.713 5.062 4.340 0.015 0.000 0.282 425 R C -1.182 175.025 176.300 -0.154 0.000 0.969 425 R CA -0.872 55.118 56.100 -0.184 0.000 0.918 425 R CB 2.375 32.557 30.300 -0.197 0.000 1.175 425 R HN 0.532 nan 8.270 nan 0.000 0.464 426 L N 2.446 123.558 121.223 -0.187 0.000 2.357 426 L HA 0.227 4.577 4.340 0.015 0.000 0.273 426 L C 0.338 177.160 176.870 -0.080 0.000 1.080 426 L CA -0.194 54.558 54.840 -0.146 0.000 0.803 426 L CB 0.914 42.742 42.059 -0.384 0.000 1.174 426 L HN 0.785 nan 8.230 nan 0.000 0.443 427 D N -0.480 119.975 120.400 0.092 0.000 2.719 427 D HA -0.209 4.440 4.640 0.015 0.000 0.170 427 D C 0.283 176.526 176.300 -0.095 0.000 1.631 427 D CA 1.964 56.009 54.000 0.076 0.000 1.883 427 D CB -0.709 40.098 40.800 0.011 0.000 1.378 427 D HN 0.711 nan 8.370 nan 0.000 0.448 428 S N -1.455 113.912 115.700 -0.556 0.000 2.596 428 S HA 0.746 5.226 4.470 0.015 0.000 0.270 428 S C 0.715 174.256 174.600 -1.766 0.000 1.155 428 S CA -0.078 57.344 58.200 -1.298 0.000 0.827 428 S CB 1.943 64.732 63.200 -0.686 0.000 1.130 428 S HN 0.352 nan 8.310 nan 0.000 0.467 429 A N 0.601 122.220 122.820 -2.002 0.000 2.070 429 A HA 0.012 4.342 4.320 0.015 0.000 0.220 429 A C 1.210 178.390 177.584 -0.673 0.000 1.159 429 A CA 1.769 53.020 52.037 -1.310 0.000 0.656 429 A CB -0.903 17.341 19.000 -1.261 0.000 0.800 429 A HN 0.920 nan 8.150 nan 0.000 0.453 430 D N -1.326 118.726 120.400 -0.581 0.000 2.501 430 D HA 0.300 4.950 4.640 0.015 0.000 0.226 430 D C 0.753 176.865 176.300 -0.314 0.000 1.198 430 D CA 0.371 54.156 54.000 -0.358 0.000 0.830 430 D CB -0.631 40.001 40.800 -0.280 0.000 1.014 430 D HN 0.209 nan 8.370 nan 0.000 0.496 431 G N 0.187 108.763 108.800 -0.373 0.000 2.508 431 G HA2 0.183 4.152 3.960 0.015 0.000 0.278 431 G HA3 0.183 4.152 3.960 0.015 0.000 0.278 431 G C -0.347 174.420 174.900 -0.222 0.000 1.389 431 G CA -0.997 43.932 45.100 -0.285 0.000 1.050 431 G HN 0.232 nan 8.290 nan 0.000 0.522 432 K N -0.311 119.969 120.400 -0.199 0.000 2.453 432 K HA 0.040 4.369 4.320 0.015 0.000 0.280 432 K C -0.312 176.178 176.600 -0.182 0.000 1.045 432 K CA -0.383 55.796 56.287 -0.180 0.000 1.059 432 K CB 0.076 32.462 32.500 -0.191 0.000 0.901 432 K HN 0.212 nan 8.250 nan 0.000 0.475 433 L N 6.967 128.100 121.223 -0.150 0.000 2.385 433 L HA 0.033 4.383 4.340 0.015 0.000 0.281 433 L C 0.649 177.441 176.870 -0.130 0.000 1.106 433 L CA 0.227 54.987 54.840 -0.134 0.000 0.856 433 L CB 1.174 43.170 42.059 -0.104 0.000 1.186 433 L HN 0.622 nan 8.230 nan 0.000 0.453 434 V N 2.104 121.931 119.914 -0.145 0.000 3.650 434 V HA 0.697 4.827 4.120 0.015 0.000 0.271 434 V C 0.732 176.781 176.094 -0.075 0.000 1.281 434 V CA 0.571 62.790 62.300 -0.135 0.000 1.120 434 V CB -0.624 31.072 31.823 -0.213 0.000 0.856 434 V HN 0.865 nan 8.190 nan 0.000 0.443 435 G N -1.015 107.741 108.800 -0.074 0.000 2.411 435 G HA2 0.517 4.487 3.960 0.015 0.000 0.295 435 G HA3 0.517 4.487 3.960 0.015 0.000 0.295 435 G C -1.209 173.659 174.900 -0.054 0.000 1.542 435 G CA -0.047 45.029 45.100 -0.040 0.000 0.814 435 G HN 0.085 nan 8.290 nan 0.000 0.557 436 T N 0.968 115.510 114.554 -0.020 0.000 2.949 436 T HA 0.476 4.835 4.350 0.015 0.000 0.300 436 T C -0.573 174.134 174.700 0.011 0.000 0.988 436 T CA -0.354 61.738 62.100 -0.014 0.000 0.993 436 T CB 1.473 70.333 68.868 -0.014 0.000 0.984 436 T HN 0.609 nan 8.240 nan 0.000 0.442 437 L N 4.393 125.630 121.223 0.024 0.000 2.265 437 L HA 0.450 4.799 4.340 0.015 0.000 0.288 437 L C -0.229 176.604 176.870 -0.061 0.000 1.058 437 L CA -0.601 54.251 54.840 0.020 0.000 0.809 437 L CB 0.444 42.560 42.059 0.094 0.000 1.179 437 L HN 0.508 nan 8.230 nan 0.000 0.429 438 N N 4.902 123.563 118.700 -0.066 0.000 2.401 438 N HA 0.124 4.873 4.740 0.015 0.000 0.255 438 N C -0.787 174.629 175.510 -0.157 0.000 1.110 438 N CA -0.251 52.744 53.050 -0.091 0.000 0.949 438 N CB 1.649 40.102 38.487 -0.056 0.000 1.110 438 N HN 0.312 nan 8.380 nan 0.000 0.490 439 V N 5.433 125.202 119.914 -0.242 0.000 2.405 439 V HA 0.174 4.303 4.120 0.015 0.000 0.264 439 V C -1.526 174.453 176.094 -0.193 0.000 1.048 439 V CA -1.114 60.987 62.300 -0.330 0.000 0.966 439 V CB 0.623 32.047 31.823 -0.664 0.000 1.015 439 V HN 0.523 nan 8.190 nan 0.000 0.477 440 P HA 0.252 nan 4.420 nan 0.000 0.279 440 P C -0.213 177.024 177.300 -0.104 0.000 1.276 440 P CA -0.573 62.465 63.100 -0.103 0.000 0.801 440 P CB 0.719 32.367 31.700 -0.086 0.000 1.127 441 S N 0.007 115.662 115.700 -0.076 0.000 2.525 441 S HA 0.110 4.589 4.470 0.015 0.000 0.285 441 S C 1.359 175.906 174.600 -0.090 0.000 1.283 441 S CA 0.211 58.364 58.200 -0.077 0.000 1.072 441 S CB -0.503 62.663 63.200 -0.056 0.000 0.867 441 S HN 0.621 nan 8.310 nan 0.000 0.492 442 T N -0.318 114.166 114.554 -0.117 0.000 3.040 442 T HA 0.428 4.787 4.350 0.015 0.000 0.250 442 T C 1.349 175.990 174.700 -0.100 0.000 1.058 442 T CA 0.359 62.387 62.100 -0.121 0.000 0.988 442 T CB 0.239 68.997 68.868 -0.183 0.000 0.993 442 T HN 1.010 nan 8.240 nan 0.000 0.519 443 G N -0.152 108.592 108.800 -0.093 0.000 2.211 443 G HA2 0.321 4.290 3.960 0.015 0.000 0.201 443 G HA3 0.321 4.290 3.960 0.015 0.000 0.201 443 G C 0.486 175.336 174.900 -0.084 0.000 0.997 443 G CA -0.345 44.712 45.100 -0.072 0.000 0.652 443 G HN 1.617 nan 8.290 nan 0.000 0.500 444 G N -1.852 106.872 108.800 -0.126 0.000 2.336 444 G HA2 0.566 4.535 3.960 0.015 0.000 0.300 444 G HA3 0.566 4.535 3.960 0.015 0.000 0.300 444 G C 0.546 175.313 174.900 -0.221 0.000 1.375 444 G CA 1.020 46.040 45.100 -0.133 0.000 0.885 444 G HN 1.627 nan 8.290 nan 0.000 0.599 445 A N -0.929 121.779 122.820 -0.187 0.000 2.216 445 A HA 0.204 4.533 4.320 0.015 0.000 0.214 445 A C 1.577 178.983 177.584 -0.296 0.000 1.160 445 A CA 2.021 53.909 52.037 -0.248 0.000 0.725 445 A CB -0.251 18.674 19.000 -0.126 0.000 0.784 445 A HN 0.610 nan 8.150 nan 0.000 0.472 446 Q N -0.765 118.914 119.800 -0.202 0.000 2.139 446 Q HA 0.136 4.485 4.340 0.015 0.000 0.219 446 Q C -0.792 175.157 176.000 -0.086 0.000 0.805 446 Q CA -0.033 55.763 55.803 -0.012 0.000 1.024 446 Q CB 0.760 29.582 28.738 0.142 0.000 1.163 446 Q HN 0.338 nan 8.270 nan 0.000 0.485 447 T N 0.945 115.291 114.554 -0.347 0.000 2.788 447 T HA 0.326 4.685 4.350 0.015 0.000 0.296 447 T C -1.187 173.286 174.700 -0.377 0.000 1.009 447 T CA -0.408 61.574 62.100 -0.197 0.000 0.949 447 T CB 0.393 69.195 68.868 -0.110 0.000 0.946 447 T HN 0.135 nan 8.240 nan 0.000 0.453 448 W N 2.772 124.074 121.300 0.002 0.000 2.433 448 W HA 0.610 5.280 4.660 0.016 0.000 0.315 448 W C 0.613 177.117 176.519 -0.025 0.000 1.087 448 W CA -0.946 56.394 57.345 -0.008 0.000 1.205 448 W CB 1.052 30.524 29.460 0.020 0.000 1.288 448 W HN 0.277 nan 8.180 nan 0.000 0.504 449 R N 1.694 122.268 120.500 0.122 0.000 2.628 449 R HA 0.216 4.565 4.340 0.015 0.000 0.288 449 R C -0.808 175.505 176.300 0.022 0.000 0.980 449 R CA -1.112 55.020 56.100 0.054 0.000 0.891 449 R CB 2.384 32.670 30.300 -0.023 0.000 1.188 449 R HN 0.467 nan 8.270 nan 0.000 0.450 450 E N 4.257 124.464 120.200 0.013 0.000 2.152 450 E HA 0.154 4.514 4.350 0.015 0.000 0.285 450 E C -0.491 176.068 176.600 -0.067 0.000 1.043 450 E CA -0.434 55.935 56.400 -0.052 0.000 0.839 450 E CB 0.621 30.327 29.700 0.011 0.000 1.069 450 E HN 0.279 nan 8.360 nan 0.000 0.399 451 I N 3.679 124.175 120.570 -0.124 0.000 2.460 451 I HA 0.298 4.478 4.170 0.015 0.000 0.298 451 I C 0.215 176.260 176.117 -0.121 0.000 0.989 451 I CA -0.486 60.746 61.300 -0.113 0.000 1.173 451 I CB 1.387 39.301 38.000 -0.143 0.000 1.338 451 I HN 0.644 nan 8.210 nan 0.000 0.456 452 E N 2.843 123.004 120.200 -0.065 0.000 2.212 452 E HA 0.615 4.974 4.350 0.015 0.000 0.268 452 E C -1.233 175.370 176.600 0.005 0.000 0.902 452 E CA -0.332 56.046 56.400 -0.036 0.000 0.779 452 E CB 2.104 31.803 29.700 -0.001 0.000 1.172 452 E HN 0.651 nan 8.360 nan 0.000 0.409 453 T N 1.246 115.833 114.554 0.055 0.000 2.843 453 T HA 0.631 4.990 4.350 0.015 0.000 0.302 453 T C -1.267 173.503 174.700 0.117 0.000 1.232 453 T CA -0.218 61.929 62.100 0.080 0.000 1.009 453 T CB 1.281 70.202 68.868 0.088 0.000 1.254 453 T HN 0.581 nan 8.240 nan 0.000 0.504 454 A N 1.851 124.726 122.820 0.091 0.000 2.407 454 A HA 0.647 4.976 4.320 0.015 0.000 0.248 454 A C -0.417 177.236 177.584 0.115 0.000 1.082 454 A CA -0.214 51.882 52.037 0.098 0.000 0.785 454 A CB 0.164 19.201 19.000 0.061 0.000 1.020 454 A HN 0.700 nan 8.150 nan 0.000 0.489 455 V N 1.678 121.675 119.914 0.139 0.000 2.735 455 V HA 0.715 4.844 4.120 0.015 0.000 0.310 455 V C -0.087 176.044 176.094 0.061 0.000 1.061 455 V CA -0.019 62.355 62.300 0.122 0.000 0.913 455 V CB 2.068 34.049 31.823 0.264 0.000 1.005 455 V HN 1.268 nan 8.190 nan 0.000 0.428 456 S N 1.322 117.020 115.700 -0.003 0.000 2.541 456 S HA 0.783 5.262 4.470 0.015 0.000 0.271 456 S C 0.359 174.907 174.600 -0.086 0.000 1.133 456 S CA -0.012 58.172 58.200 -0.028 0.000 0.876 456 S CB 1.838 65.030 63.200 -0.013 0.000 1.105 456 S HN 2.256 nan 8.310 nan 0.000 0.470 457 G N 0.169 108.912 108.800 -0.095 0.000 2.157 457 G HA2 0.092 4.061 3.960 0.015 0.000 0.248 457 G HA3 0.092 4.061 3.960 0.015 0.000 0.248 457 G C 0.253 175.014 174.900 -0.231 0.000 0.979 457 G CA -0.109 44.911 45.100 -0.133 0.000 0.650 457 G HN 1.833 nan 8.290 nan 0.000 0.529 458 A N 1.012 123.642 122.820 -0.317 0.000 2.582 458 A HA 0.779 5.108 4.320 0.015 0.000 0.336 458 A C 0.534 177.875 177.584 -0.405 0.000 1.445 458 A CA 0.847 52.487 52.037 -0.662 0.000 0.997 458 A CB 0.139 18.414 19.000 -1.207 0.000 1.148 458 A HN 1.648 nan 8.150 nan 0.000 0.514 459 T N -1.097 113.415 114.554 -0.071 0.000 2.906 459 T HA 0.841 5.201 4.350 0.015 0.000 0.295 459 T C 0.369 175.266 174.700 0.328 0.000 1.061 459 T CA -0.013 62.186 62.100 0.165 0.000 1.000 459 T CB 1.402 70.336 68.868 0.109 0.000 1.103 459 T HN 2.330 nan 8.240 nan 0.000 0.486 460 G N 0.370 109.335 108.800 0.275 0.000 2.693 460 G HA2 -0.019 3.950 3.960 0.015 0.000 0.226 460 G HA3 -0.019 3.950 3.960 0.015 0.000 0.226 460 G C -0.729 174.234 174.900 0.105 0.000 1.354 460 G CA -0.458 44.725 45.100 0.137 0.000 0.873 460 G HN 1.529 nan 8.290 nan 0.000 0.562 461 V N 2.609 122.423 119.914 -0.165 0.000 2.407 461 V HA 0.678 4.807 4.120 0.015 0.000 0.278 461 V C 0.175 175.999 176.094 -0.450 0.000 1.037 461 V CA -0.306 61.886 62.300 -0.180 0.000 0.900 461 V CB 1.233 32.983 31.823 -0.121 0.000 0.983 461 V HN 0.829 nan 8.190 nan 0.000 0.459 462 H N 2.591 121.711 119.070 0.083 0.000 3.012 462 H HA 0.399 4.964 4.556 0.015 0.000 0.367 462 H C -0.698 174.680 175.328 0.083 0.000 1.211 462 H CA -1.020 55.085 56.048 0.095 0.000 1.139 462 H CB 2.099 31.940 29.762 0.131 0.000 1.838 462 H HN 0.536 nan 8.280 nan 0.000 0.550 463 K N 1.353 121.895 120.400 0.237 0.000 2.485 463 K HA 0.253 4.582 4.320 0.015 0.000 0.277 463 K C -0.367 176.340 176.600 0.178 0.000 0.990 463 K CA -0.049 56.370 56.287 0.221 0.000 0.994 463 K CB 0.658 33.344 32.500 0.311 0.000 0.906 463 K HN 0.105 nan 8.250 nan 0.000 0.488 464 V N 4.550 124.456 119.914 -0.014 0.000 2.487 464 V HA 0.358 4.487 4.120 0.015 0.000 0.298 464 V C -0.839 174.966 176.094 -0.481 0.000 1.028 464 V CA -0.769 61.414 62.300 -0.196 0.000 0.860 464 V CB 0.863 32.512 31.823 -0.290 0.000 0.991 464 V HN 0.529 nan 8.190 nan 0.000 0.427 465 F N 4.303 123.947 119.950 -0.510 0.000 2.458 465 F HA 0.649 5.185 4.527 0.016 0.000 0.336 465 F C -0.383 175.055 175.800 -0.603 0.000 1.114 465 F CA -0.489 57.253 58.000 -0.430 0.000 0.987 465 F CB 1.635 40.434 39.000 -0.335 0.000 1.130 465 F HN 0.333 nan 8.300 nan 0.000 0.458 466 F N 3.347 123.292 119.950 -0.008 0.000 2.332 466 F HA 0.513 5.049 4.527 0.015 0.000 0.368 466 F C -0.374 175.101 175.800 -0.540 0.000 1.110 466 F CA -1.130 56.755 58.000 -0.192 0.000 1.087 466 F CB 1.019 40.022 39.000 0.005 0.000 1.235 466 F HN -0.021 nan 8.300 nan 0.000 0.470 467 V N 4.589 124.366 119.914 -0.229 0.000 2.398 467 V HA 0.398 4.528 4.120 0.015 0.000 0.286 467 V C -0.488 175.533 176.094 -0.123 0.000 1.026 467 V CA -0.835 61.342 62.300 -0.207 0.000 0.868 467 V CB 1.147 32.946 31.823 -0.040 0.000 0.982 467 V HN 0.342 nan 8.190 nan 0.000 0.443 468 F N 2.922 123.020 119.950 0.247 0.000 2.420 468 F HA 0.711 5.247 4.527 0.015 0.000 0.342 468 F C 0.673 176.554 175.800 0.135 0.000 1.113 468 F CA -0.667 57.461 58.000 0.214 0.000 1.059 468 F CB 1.806 40.857 39.000 0.085 0.000 1.128 468 F HN 0.566 nan 8.300 nan 0.000 0.475 469 T N -0.306 114.451 114.554 0.337 0.000 2.896 469 T HA 0.976 5.335 4.350 0.015 0.000 0.297 469 T C -0.409 174.405 174.700 0.189 0.000 1.108 469 T CA -0.693 61.524 62.100 0.195 0.000 1.004 469 T CB 2.049 70.994 68.868 0.128 0.000 1.159 469 T HN 1.149 nan 8.240 nan 0.000 0.499 470 G N 0.596 109.464 108.800 0.113 0.000 2.316 470 G HA2 0.512 4.482 3.960 0.015 0.000 0.296 470 G HA3 0.512 4.482 3.960 0.015 0.000 0.296 470 G C -0.880 174.048 174.900 0.047 0.000 1.399 470 G CA -0.264 44.890 45.100 0.089 0.000 0.833 470 G HN 1.269 nan 8.290 nan 0.000 0.565 471 T N -1.106 113.467 114.554 0.032 0.000 2.859 471 T HA 0.787 5.147 4.350 0.015 0.000 0.281 471 T C 1.247 175.950 174.700 0.006 0.000 1.005 471 T CA 0.752 62.862 62.100 0.017 0.000 1.025 471 T CB 1.312 70.188 68.868 0.013 0.000 0.977 471 T HN 2.619 nan 8.240 nan 0.000 0.458 472 G N 2.684 111.485 108.800 0.002 0.000 2.581 472 G HA2 0.054 4.023 3.960 0.015 0.000 0.291 472 G HA3 0.054 4.023 3.960 0.015 0.000 0.291 472 G C 0.318 175.209 174.900 -0.014 0.000 1.277 472 G CA 0.907 46.003 45.100 -0.005 0.000 0.959 472 G HN 2.768 nan 8.290 nan 0.000 0.554 473 T N -3.328 111.214 114.554 -0.019 0.000 0.541 473 T HA 0.360 4.719 4.350 0.015 0.000 0.774 473 T C 1.805 176.485 174.700 -0.034 0.000 0.992 473 T CA 1.735 63.817 62.100 -0.031 0.000 4.077 473 T CB -1.382 67.460 68.868 -0.042 0.000 2.303 473 T HN 3.400 nan 8.240 nan 0.000 0.398 474 G N 0.964 109.740 108.800 -0.041 0.000 2.582 474 G HA2 0.147 4.117 3.960 0.015 0.000 0.222 474 G HA3 0.147 4.117 3.960 0.015 0.000 0.222 474 G C -0.708 174.145 174.900 -0.078 0.000 1.311 474 G CA 0.310 45.380 45.100 -0.050 0.000 0.915 474 G HN 1.866 nan 8.290 nan 0.000 0.528 475 N N 0.201 118.845 118.700 -0.093 0.000 2.437 475 N HA 0.569 5.319 4.740 0.015 0.000 0.259 475 N C 1.677 177.080 175.510 -0.177 0.000 0.983 475 N CA -0.494 52.467 53.050 -0.148 0.000 0.937 475 N CB 0.915 39.325 38.487 -0.129 0.000 1.122 475 N HN 0.517 nan 8.380 nan 0.000 0.499 476 L N 2.403 123.456 121.223 -0.283 0.000 2.017 476 L HA 0.072 4.421 4.340 0.015 0.000 0.208 476 L C 0.018 176.803 176.870 -0.143 0.000 1.073 476 L CA 0.976 55.664 54.840 -0.253 0.000 0.745 476 L CB -0.488 41.325 42.059 -0.410 0.000 0.894 476 L HN 0.603 nan 8.230 nan 0.000 0.432 477 F N -4.048 115.785 119.950 -0.195 0.000 2.842 477 F HA 0.476 5.012 4.527 0.015 0.000 0.319 477 F C -1.218 174.418 175.800 -0.273 0.000 1.159 477 F CA -1.595 56.257 58.000 -0.246 0.000 0.902 477 F CB 0.568 39.419 39.000 -0.249 0.000 1.311 477 F HN -0.303 nan 8.300 nan 0.000 0.453 478 N N 0.497 119.172 118.700 -0.041 0.000 2.362 478 N HA 0.643 5.392 4.740 0.015 0.000 0.299 478 N C -2.135 173.521 175.510 0.244 0.000 1.170 478 N CA -0.366 52.628 53.050 -0.094 0.000 0.825 478 N CB 2.536 40.712 38.487 -0.518 0.000 1.299 478 N HN 0.668 nan 8.380 nan 0.000 0.502 479 F N 1.323 121.398 119.950 0.208 0.000 3.287 479 F HA 0.193 4.730 4.527 0.016 0.000 0.379 479 F C -0.033 175.947 175.800 0.300 0.000 1.268 479 F CA -1.291 56.858 58.000 0.247 0.000 1.220 479 F CB 0.710 39.822 39.000 0.186 0.000 1.687 479 F HN 0.467 nan 8.300 nan 0.000 0.648 480 D N 3.978 124.670 120.400 0.488 0.000 2.414 480 D HA 0.118 4.767 4.640 0.015 0.000 0.237 480 D C -0.369 175.953 176.300 0.036 0.000 0.975 480 D CA 1.681 55.769 54.000 0.146 0.000 0.917 480 D CB 0.414 41.124 40.800 -0.151 0.000 1.061 480 D HN 0.392 nan 8.370 nan 0.000 0.480 481 Y N -2.064 118.231 120.300 -0.008 0.000 2.689 481 Y HA 0.525 5.085 4.550 0.016 0.000 0.333 481 Y C -1.658 174.284 175.900 0.070 0.000 1.208 481 Y CA -1.770 56.232 58.100 -0.164 0.000 1.055 481 Y CB 0.384 38.721 38.460 -0.204 0.000 1.304 481 Y HN 0.025 nan 8.280 nan 0.000 0.455 482 W N 1.222 122.612 121.300 0.150 0.000 3.062 482 W HA 0.791 5.460 4.660 0.016 0.000 0.336 482 W C -2.226 174.355 176.519 0.103 0.000 1.224 482 W CA -1.026 56.294 57.345 -0.042 0.000 1.159 482 W CB 2.032 31.438 29.460 -0.091 0.000 1.454 482 W HN 0.987 nan 8.180 nan 0.000 0.569 483 Q N 1.420 121.391 119.800 0.284 0.000 2.327 483 Q HA 0.384 4.733 4.340 0.015 0.000 0.265 483 Q C -2.175 174.018 176.000 0.322 0.000 0.993 483 Q CA -0.469 55.539 55.803 0.342 0.000 0.885 483 Q CB 2.523 31.391 28.738 0.216 0.000 1.379 483 Q HN 0.411 nan 8.270 nan 0.000 0.408 484 F N 1.026 121.320 119.950 0.573 0.000 2.370 484 F HA 0.483 5.020 4.527 0.015 0.000 0.324 484 F C 1.040 177.194 175.800 0.589 0.000 1.116 484 F CA -0.051 58.297 58.000 0.580 0.000 1.123 484 F CB 1.638 40.985 39.000 0.579 0.000 1.238 484 F HN 0.485 nan 8.300 nan 0.000 0.536 485 T N -0.720 114.255 114.554 0.701 0.000 2.918 485 T HA 0.488 4.847 4.350 0.015 0.000 0.286 485 T C -0.735 174.225 174.700 0.434 0.000 1.026 485 T CA -1.060 61.331 62.100 0.485 0.000 1.031 485 T CB 1.400 70.431 68.868 0.272 0.000 1.046 485 T HN 0.570 nan 8.240 nan 0.000 0.479 486 Q N 1.317 121.155 119.800 0.063 0.000 2.235 486 Q HA 0.702 5.051 4.340 0.015 0.000 0.250 486 Q C -0.436 175.576 176.000 0.020 0.000 0.909 486 Q CA -0.919 54.809 55.803 -0.124 0.000 0.910 486 Q CB 1.115 29.603 28.738 -0.418 0.000 1.223 486 Q HN 0.727 nan 8.270 nan 0.000 0.432 487 R N 0.000 120.529 120.500 0.049 0.000 2.786 487 R HA 0.000 4.349 4.340 0.015 0.000 0.208 487 R CA 0.000 56.127 56.100 0.045 0.000 0.921 487 R CB 0.000 30.299 30.300 -0.002 0.000 0.687 487 R HN 0.000 nan 8.270 nan 0.000 0.535