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 2r5k_1_C DATA FIRST_RESID 19 DATA SEQUENCE AVVATDAYVK RTNIFYHASS SRLLAVGHPY YSIKKVNKTV VPKVSGYQYR DATA SEQUENCE VFKVVLPDPN KFALPDSSLF DPTTQRLVWA CTGLEVGRGQ PLGVGVSGHP DATA SEQUENCE LLNKYDDVEN SGGYGGNPGQ DNRVNVGMDY KQTQLCMVGC APPLGEHWGK DATA SEQUENCE GTQSSNTSVQ NGDCPPLELI TSVIQDGDMV DTGFGAMNFA DLQTNKSDVP DATA SEQUENCE LDICGTVCKY PDYLQMAADP YGDRLFFYLR KEQMFARHFF NRAGTVGEPV DATA SEQUENCE PDDLLVKGGN NRSSVASSIY VHTPSGSLVS SEAQLFNKPY WLQKAQGHNN DATA SEQUENCE GICWGNHLSV TVVDTTRSTN MTLCASVSKS ATYTNSDYKE YMRHVEEFDL DATA SEQUENCE QFIFQLCSIT LSAEVMAYIH TMNPSVLEDW NXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXKQDPYK DMSFWEVNLK EKFSSELDQF PLGRKFLLQS DATA SEQUENCE GY 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 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.612 177.584 0.047 0.000 1.274 19 A CA 0.000 52.048 52.037 0.019 0.000 0.836 19 A CB 0.000 19.009 19.000 0.015 0.000 0.831 20 V N 2.278 122.175 119.914 -0.028 0.000 2.583 20 V HA 0.505 4.627 4.120 0.002 0.000 0.287 20 V C 0.796 176.772 176.094 -0.197 0.000 1.051 20 V CA 0.128 62.417 62.300 -0.019 0.000 1.010 20 V CB 1.175 32.861 31.823 -0.229 0.000 0.988 20 V HN 1.497 nan 8.190 nan 0.000 0.478 21 V N 2.259 122.124 119.914 -0.080 0.000 2.769 21 V HA 0.952 5.073 4.120 0.002 0.000 0.312 21 V C 0.323 176.415 176.094 -0.005 0.000 1.058 21 V CA -0.905 61.285 62.300 -0.182 0.000 0.952 21 V CB 1.580 33.261 31.823 -0.235 0.000 1.019 21 V HN 1.072 nan 8.190 nan 0.000 0.445 22 A N 2.727 125.627 122.820 0.134 0.000 2.488 22 A HA 0.436 4.757 4.320 0.002 0.000 0.249 22 A C 1.558 179.308 177.584 0.277 0.000 1.083 22 A CA 0.417 52.666 52.037 0.354 0.000 0.768 22 A CB 0.171 19.370 19.000 0.332 0.000 1.017 22 A HN 1.736 nan 8.150 nan 0.000 0.496 23 T N -0.065 114.630 114.554 0.236 0.000 2.778 23 T HA -0.198 4.154 4.350 0.002 0.000 0.269 23 T C 0.825 175.375 174.700 -0.250 0.000 1.050 23 T CA 1.899 63.899 62.100 -0.166 0.000 1.137 23 T CB -0.505 68.329 68.868 -0.056 0.000 0.860 23 T HN 0.616 nan 8.240 nan 0.000 0.468 24 D N 1.812 122.189 120.400 -0.038 0.000 2.389 24 D HA 0.068 4.710 4.640 0.002 0.000 0.221 24 D C 2.007 178.304 176.300 -0.006 0.000 0.974 24 D CA 1.040 55.024 54.000 -0.026 0.000 0.923 24 D CB -0.384 40.434 40.800 0.029 0.000 0.892 24 D HN 0.698 nan 8.370 nan 0.000 0.518 25 A N -0.318 122.524 122.820 0.036 0.000 2.095 25 A HA 0.004 4.325 4.320 0.002 0.000 0.212 25 A C 1.205 178.895 177.584 0.177 0.000 1.162 25 A CA 0.201 52.305 52.037 0.111 0.000 0.753 25 A CB -0.240 18.850 19.000 0.149 0.000 0.840 25 A HN 0.416 nan 8.150 nan 0.000 0.468 26 Y N -3.524 116.804 120.300 0.048 0.000 2.717 26 Y HA 0.639 5.191 4.550 0.002 0.000 0.250 26 Y C -0.446 175.521 175.900 0.113 0.000 1.149 26 Y CA -0.691 57.450 58.100 0.069 0.000 1.211 26 Y CB 0.086 38.584 38.460 0.064 0.000 1.289 26 Y HN -0.132 nan 8.280 nan 0.000 0.552 27 V N 3.658 123.470 119.914 -0.169 0.000 2.325 27 V HA 0.310 4.432 4.120 0.002 0.000 0.280 27 V C -0.602 175.441 176.094 -0.084 0.000 1.016 27 V CA -1.084 61.136 62.300 -0.133 0.000 0.818 27 V CB 1.040 32.705 31.823 -0.263 0.000 1.019 27 V HN 0.087 nan 8.190 nan 0.000 0.434 28 K N 4.795 125.167 120.400 -0.045 0.000 2.350 28 K HA 0.452 4.774 4.320 0.002 0.000 0.279 28 K C 0.142 176.694 176.600 -0.080 0.000 1.027 28 K CA -0.230 56.028 56.287 -0.047 0.000 0.969 28 K CB 0.943 33.425 32.500 -0.030 0.000 0.954 28 K HN 0.477 nan 8.250 nan 0.000 0.474 29 R N 0.702 121.159 120.500 -0.070 0.000 2.674 29 R HA 0.425 4.766 4.340 0.002 0.000 0.266 29 R C 0.689 176.931 176.300 -0.097 0.000 1.016 29 R CA -0.448 55.599 56.100 -0.088 0.000 1.062 29 R CB 1.303 31.571 30.300 -0.054 0.000 1.142 29 R HN 0.896 nan 8.270 nan 0.000 0.517 30 T N -3.284 111.185 114.554 -0.142 0.000 2.645 30 T HA 0.281 4.633 4.350 0.002 0.000 0.273 30 T C 0.374 174.970 174.700 -0.172 0.000 0.960 30 T CA -0.803 61.215 62.100 -0.137 0.000 1.051 30 T CB 1.137 69.912 68.868 -0.154 0.000 1.366 30 T HN 0.571 nan 8.240 nan 0.000 0.536 31 N N -0.393 118.233 118.700 -0.123 0.000 2.205 31 N HA 0.243 4.985 4.740 0.002 0.000 0.201 31 N C -0.255 175.186 175.510 -0.115 0.000 1.128 31 N CA -0.258 52.764 53.050 -0.046 0.000 0.867 31 N CB 0.200 38.722 38.487 0.059 0.000 0.996 31 N HN 0.468 nan 8.380 nan 0.000 0.503 32 I N 1.858 122.298 120.570 -0.216 0.000 2.421 32 I HA 0.148 4.319 4.170 0.002 0.000 0.291 32 I C -0.343 175.650 176.117 -0.206 0.000 1.089 32 I CA 0.312 61.559 61.300 -0.090 0.000 1.354 32 I CB -1.263 36.777 38.000 0.067 0.000 1.413 32 I HN -0.092 nan 8.210 nan 0.000 0.513 33 F N 6.179 126.198 119.950 0.115 0.000 2.546 33 F HA 0.576 5.105 4.527 0.002 0.000 0.320 33 F C -0.229 175.559 175.800 -0.020 0.000 1.076 33 F CA -0.612 57.454 58.000 0.110 0.000 0.928 33 F CB 1.850 40.875 39.000 0.040 0.000 1.189 33 F HN 0.220 nan 8.300 nan 0.000 0.465 34 Y N 0.468 120.855 120.300 0.144 0.000 2.576 34 Y HA 0.384 4.935 4.550 0.002 0.000 0.346 34 Y C -0.454 175.292 175.900 -0.257 0.000 1.018 34 Y CA -0.964 57.112 58.100 -0.039 0.000 1.050 34 Y CB 1.757 40.126 38.460 -0.151 0.000 1.280 34 Y HN 0.501 nan 8.280 nan 0.000 0.474 35 H N 1.208 120.126 119.070 -0.252 0.000 2.529 35 H HA 0.889 5.447 4.556 0.002 0.000 0.348 35 H C -1.753 173.220 175.328 -0.593 0.000 1.152 35 H CA -0.668 55.106 56.048 -0.457 0.000 1.202 35 H CB 1.771 31.177 29.762 -0.592 0.000 1.562 35 H HN 0.831 nan 8.280 nan 0.000 0.515 36 A N 2.708 124.816 122.820 -1.186 0.000 2.547 36 A HA 0.529 4.851 4.320 0.002 0.000 0.297 36 A C -1.261 176.043 177.584 -0.466 0.000 1.056 36 A CA -0.178 51.494 52.037 -0.608 0.000 0.688 36 A CB 1.238 19.943 19.000 -0.491 0.000 1.282 36 A HN 0.849 nan 8.150 nan 0.000 0.400 37 S N 0.037 115.688 115.700 -0.082 0.000 2.536 37 S HA 0.573 5.044 4.470 0.002 0.000 0.271 37 S C 0.501 175.150 174.600 0.082 0.000 1.134 37 S CA 0.151 58.373 58.200 0.036 0.000 0.897 37 S CB 1.458 64.740 63.200 0.137 0.000 1.094 37 S HN 1.804 nan 8.310 nan 0.000 0.473 38 S N 1.475 117.210 115.700 0.059 0.000 2.527 38 S HA 0.250 4.722 4.470 0.002 0.000 0.222 38 S C 1.014 175.637 174.600 0.039 0.000 0.985 38 S CA 0.552 58.775 58.200 0.038 0.000 0.921 38 S CB -1.277 61.900 63.200 -0.039 0.000 0.772 38 S HN 2.500 nan 8.310 nan 0.000 0.529 39 S N 0.931 116.653 115.700 0.038 0.000 3.633 39 S HA -0.301 4.171 4.470 0.002 0.000 0.637 39 S C -0.109 174.507 174.600 0.027 0.000 2.289 39 S CA 0.087 58.316 58.200 0.048 0.000 2.476 39 S CB -1.377 61.869 63.200 0.076 0.000 0.330 39 S HN 0.990 nan 8.310 nan 0.000 1.787 40 R N 0.644 121.169 120.500 0.042 0.000 2.538 40 R HA 0.451 4.792 4.340 0.002 0.000 0.282 40 R C -0.563 175.791 176.300 0.089 0.000 1.009 40 R CA 0.514 56.643 56.100 0.049 0.000 1.063 40 R CB -0.253 30.077 30.300 0.049 0.000 0.945 40 R HN 0.501 nan 8.270 nan 0.000 0.414 41 L N 6.045 127.335 121.223 0.113 0.000 2.381 41 L HA 0.431 4.773 4.340 0.002 0.000 0.274 41 L C -1.248 175.811 176.870 0.316 0.000 0.988 41 L CA -1.138 53.837 54.840 0.226 0.000 0.824 41 L CB 1.661 43.758 42.059 0.064 0.000 1.263 41 L HN 0.486 nan 8.230 nan 0.000 0.410 42 L N 2.860 124.308 121.223 0.375 0.000 2.362 42 L HA 0.833 5.175 4.340 0.002 0.000 0.271 42 L C -0.126 176.963 176.870 0.365 0.000 1.002 42 L CA -0.317 54.706 54.840 0.304 0.000 0.818 42 L CB 2.008 44.160 42.059 0.156 0.000 1.298 42 L HN 0.678 nan 8.230 nan 0.000 0.420 43 A N 2.919 125.917 122.820 0.297 0.000 2.359 43 A HA 0.872 5.193 4.320 0.002 0.000 0.303 43 A C -1.485 176.140 177.584 0.068 0.000 1.066 43 A CA -0.520 51.629 52.037 0.188 0.000 0.730 43 A CB 1.555 20.739 19.000 0.307 0.000 1.211 43 A HN 0.381 nan 8.150 nan 0.000 0.439 44 V N 2.300 122.229 119.914 0.024 0.000 2.567 44 V HA 0.797 4.918 4.120 0.002 0.000 0.298 44 V C 0.493 176.590 176.094 0.006 0.000 1.047 44 V CA 0.438 62.737 62.300 -0.001 0.000 0.880 44 V CB 1.215 33.035 31.823 -0.005 0.000 1.009 44 V HN 1.519 nan 8.190 nan 0.000 0.429 45 G N 2.423 111.233 108.800 0.017 0.000 2.772 45 G HA2 0.386 4.348 3.960 0.002 0.000 0.284 45 G HA3 0.386 4.348 3.960 0.002 0.000 0.284 45 G C -1.540 173.390 174.900 0.051 0.000 1.217 45 G CA -0.484 44.642 45.100 0.043 0.000 0.831 45 G HN 0.599 nan 8.290 nan 0.000 0.523 46 H N 2.015 121.062 119.070 -0.038 0.000 2.489 46 H HA 0.376 4.933 4.556 0.002 0.000 0.322 46 H C -1.459 173.769 175.328 -0.167 0.000 1.091 46 H CA -1.713 54.258 56.048 -0.129 0.000 1.291 46 H CB 2.673 32.354 29.762 -0.135 0.000 1.436 46 H HN 0.144 nan 8.280 nan 0.000 0.480 47 P HA -0.144 nan 4.420 nan 0.000 0.218 47 P C 0.588 177.842 177.300 -0.078 0.000 1.149 47 P CA 1.430 64.324 63.100 -0.343 0.000 0.817 47 P CB 0.195 31.465 31.700 -0.716 0.000 0.785 48 Y N -1.173 119.148 120.300 0.034 0.000 2.464 48 Y HA 0.129 4.681 4.550 0.003 0.000 0.288 48 Y C 1.032 176.960 175.900 0.046 0.000 1.133 48 Y CA -0.657 57.434 58.100 -0.015 0.000 1.223 48 Y CB 0.103 38.468 38.460 -0.160 0.000 1.187 48 Y HN -0.059 nan 8.280 nan 0.000 0.539 49 Y N -1.740 118.745 120.300 0.309 0.000 2.609 49 Y HA 0.550 5.101 4.550 0.002 0.000 0.336 49 Y C -0.515 175.360 175.900 -0.041 0.000 1.129 49 Y CA -2.733 55.406 58.100 0.064 0.000 1.040 49 Y CB 0.290 38.739 38.460 -0.018 0.000 1.310 49 Y HN -0.123 nan 8.280 nan 0.000 0.460 50 S N 0.874 116.706 115.700 0.220 0.000 2.592 50 S HA 0.604 5.075 4.470 0.002 0.000 0.271 50 S C -0.684 173.985 174.600 0.115 0.000 1.326 50 S CA -0.406 57.869 58.200 0.125 0.000 1.024 50 S CB 0.738 63.984 63.200 0.076 0.000 0.921 50 S HN 0.482 nan 8.310 nan 0.000 0.527 51 I N 2.539 123.153 120.570 0.074 0.000 2.388 51 I HA 0.281 4.453 4.170 0.002 0.000 0.281 51 I C 0.177 176.312 176.117 0.031 0.000 1.046 51 I CA -0.421 60.913 61.300 0.056 0.000 1.187 51 I CB 0.785 38.830 38.000 0.075 0.000 1.351 51 I HN 0.701 nan 8.210 nan 0.000 0.472 52 K N 5.381 125.787 120.400 0.011 0.000 2.159 52 K HA 0.448 4.769 4.320 0.002 0.000 0.266 52 K C -0.009 176.591 176.600 -0.000 0.000 0.975 52 K CA -0.865 55.423 56.287 0.003 0.000 0.865 52 K CB 1.207 33.704 32.500 -0.006 0.000 1.087 52 K HN 0.428 nan 8.250 nan 0.000 0.446 53 K N 1.850 122.252 120.400 0.003 0.000 3.245 53 K HA 0.063 4.385 4.320 0.002 0.000 0.285 53 K C -0.193 176.405 176.600 -0.003 0.000 1.156 53 K CA -0.331 55.958 56.287 0.004 0.000 1.162 53 K CB -0.609 31.895 32.500 0.007 0.000 1.365 53 K HN 0.484 nan 8.250 nan 0.000 0.316 54 V N -0.665 119.243 119.914 -0.011 0.000 3.774 54 V HA -0.400 3.722 4.120 0.002 0.000 0.216 54 V C -0.027 176.060 176.094 -0.013 0.000 0.441 54 V CA 1.964 64.254 62.300 -0.015 0.000 0.985 54 V CB -2.586 29.229 31.823 -0.013 0.000 1.085 54 V HN 0.862 nan 8.190 nan 0.000 1.240 55 N N -1.443 117.251 118.700 -0.010 0.000 3.085 55 N HA 0.275 5.017 4.740 0.002 0.000 0.270 55 N C -0.047 175.457 175.510 -0.009 0.000 1.319 55 N CA -0.159 52.886 53.050 -0.009 0.000 1.379 55 N CB 0.297 38.780 38.487 -0.007 0.000 0.903 55 N HN 0.244 nan 8.380 nan 0.000 1.080 56 K N 1.017 121.412 120.400 -0.008 0.000 2.139 56 K HA 0.466 4.788 4.320 0.002 0.000 0.243 56 K C -0.736 175.860 176.600 -0.007 0.000 0.983 56 K CA -0.260 56.022 56.287 -0.008 0.000 0.890 56 K CB 1.161 33.656 32.500 -0.008 0.000 1.090 56 K HN 0.140 nan 8.250 nan 0.000 0.445 57 T N 1.379 115.928 114.554 -0.008 0.000 2.761 57 T HA 0.166 4.518 4.350 0.002 0.000 0.296 57 T C 1.344 176.040 174.700 -0.005 0.000 0.934 57 T CA -0.370 61.727 62.100 -0.005 0.000 1.091 57 T CB 0.506 69.369 68.868 -0.008 0.000 0.896 57 T HN 0.242 nan 8.240 nan 0.000 0.515 58 V N 3.397 123.312 119.914 0.002 0.000 2.735 58 V HA 0.142 4.263 4.120 0.002 0.000 0.234 58 V C 0.859 176.954 176.094 0.003 0.000 1.121 58 V CA 0.082 62.382 62.300 -0.000 0.000 1.160 58 V CB 0.004 31.828 31.823 0.003 0.000 0.908 58 V HN 0.579 nan 8.190 nan 0.000 0.495 59 V N 4.687 124.612 119.914 0.018 0.000 2.372 59 V HA 0.282 4.403 4.120 0.002 0.000 0.261 59 V C -2.031 174.088 176.094 0.041 0.000 1.055 59 V CA -1.411 60.907 62.300 0.031 0.000 0.930 59 V CB 0.630 32.486 31.823 0.055 0.000 1.031 59 V HN 0.399 nan 8.190 nan 0.000 0.479 60 P HA 0.174 nan 4.420 nan 0.000 0.276 60 P C -0.703 176.634 177.300 0.062 0.000 1.252 60 P CA -0.741 62.374 63.100 0.026 0.000 0.802 60 P CB 1.188 32.880 31.700 -0.015 0.000 1.035 61 K N 1.287 121.731 120.400 0.074 0.000 2.312 61 K HA 0.315 4.636 4.320 0.002 0.000 0.287 61 K C -1.121 175.542 176.600 0.104 0.000 1.062 61 K CA -0.397 55.956 56.287 0.110 0.000 0.934 61 K CB 0.080 32.656 32.500 0.127 0.000 1.027 61 K HN 0.202 nan 8.250 nan 0.000 0.478 62 V N 3.664 123.650 119.914 0.121 0.000 2.385 62 V HA 0.163 4.285 4.120 0.002 0.000 0.277 62 V C -0.388 175.849 176.094 0.239 0.000 1.012 62 V CA -0.791 61.599 62.300 0.150 0.000 0.832 62 V CB 0.994 32.882 31.823 0.107 0.000 1.028 62 V HN 0.790 nan 8.190 nan 0.000 0.436 63 S N 3.058 118.907 115.700 0.249 0.000 2.638 63 S HA 0.666 5.137 4.470 0.002 0.000 0.298 63 S C 1.374 176.146 174.600 0.287 0.000 1.111 63 S CA 0.286 58.642 58.200 0.261 0.000 1.027 63 S CB 1.883 65.241 63.200 0.264 0.000 1.064 63 S HN 0.839 nan 8.310 nan 0.000 0.525 64 G N 0.968 109.841 108.800 0.121 0.000 2.448 64 G HA2 -0.038 3.924 3.960 0.002 0.000 0.218 64 G HA3 -0.038 3.924 3.960 0.002 0.000 0.218 64 G C 0.303 175.103 174.900 -0.168 0.000 1.135 64 G CA 0.477 45.583 45.100 0.010 0.000 0.784 64 G HN 0.769 nan 8.290 nan 0.000 0.543 65 Y N 0.840 121.229 120.300 0.148 0.000 2.627 65 Y HA 0.355 4.906 4.550 0.003 0.000 0.339 65 Y C 1.264 177.222 175.900 0.097 0.000 1.137 65 Y CA -0.277 57.901 58.100 0.131 0.000 1.361 65 Y CB -0.157 38.426 38.460 0.204 0.000 1.180 65 Y HN 0.145 nan 8.280 nan 0.000 0.512 66 Q N -0.653 119.252 119.800 0.175 0.000 2.215 66 Q HA 0.339 4.681 4.340 0.002 0.000 0.256 66 Q C -1.203 174.865 176.000 0.113 0.000 0.972 66 Q CA -0.882 55.028 55.803 0.179 0.000 0.889 66 Q CB 1.268 30.126 28.738 0.200 0.000 1.281 66 Q HN 0.326 nan 8.270 nan 0.000 0.456 67 Y N 0.620 120.979 120.300 0.099 0.000 2.320 67 Y HA 0.336 4.888 4.550 0.003 0.000 0.324 67 Y C -0.011 175.892 175.900 0.005 0.000 1.190 67 Y CA -0.261 57.876 58.100 0.061 0.000 1.215 67 Y CB 1.029 39.508 38.460 0.033 0.000 1.221 67 Y HN 0.272 nan 8.280 nan 0.000 0.486 68 R N 2.666 123.237 120.500 0.118 0.000 2.412 68 R HA 0.360 4.702 4.340 0.002 0.000 0.304 68 R C -1.769 174.331 176.300 -0.334 0.000 1.066 68 R CA -0.673 55.296 56.100 -0.218 0.000 0.923 68 R CB 0.921 30.997 30.300 -0.373 0.000 1.156 68 R HN 0.407 nan 8.270 nan 0.000 0.513 69 V N 5.241 125.003 119.914 -0.255 0.000 2.294 69 V HA 0.381 4.503 4.120 0.002 0.000 0.272 69 V C -0.082 175.910 176.094 -0.170 0.000 1.027 69 V CA -0.623 61.618 62.300 -0.097 0.000 0.823 69 V CB 0.217 32.123 31.823 0.137 0.000 1.030 69 V HN 0.386 nan 8.190 nan 0.000 0.457 70 F N 3.240 123.202 119.950 0.019 0.000 2.420 70 F HA 0.398 4.927 4.527 0.002 0.000 0.352 70 F C 0.750 176.518 175.800 -0.053 0.000 1.108 70 F CA -0.401 57.587 58.000 -0.020 0.000 1.162 70 F CB 1.023 39.931 39.000 -0.154 0.000 1.118 70 F HN 0.292 nan 8.300 nan 0.000 0.510 71 K N 4.281 124.748 120.400 0.112 0.000 2.296 71 K HA 0.386 4.708 4.320 0.002 0.000 0.257 71 K C -1.257 175.327 176.600 -0.026 0.000 1.088 71 K CA -0.308 55.918 56.287 -0.102 0.000 0.980 71 K CB 0.546 32.929 32.500 -0.195 0.000 1.430 71 K HN 0.503 nan 8.250 nan 0.000 0.441 72 V N 5.077 124.966 119.914 -0.042 0.000 2.405 72 V HA 0.099 4.220 4.120 0.002 0.000 0.264 72 V C 0.104 176.137 176.094 -0.102 0.000 1.048 72 V CA -0.667 61.586 62.300 -0.078 0.000 0.966 72 V CB 1.123 32.830 31.823 -0.194 0.000 1.015 72 V HN 0.390 nan 8.190 nan 0.000 0.477 73 V N 7.449 127.321 119.914 -0.070 0.000 2.432 73 V HA 0.415 4.536 4.120 0.002 0.000 0.275 73 V C 0.166 176.169 176.094 -0.152 0.000 1.043 73 V CA -0.301 61.973 62.300 -0.043 0.000 0.925 73 V CB 1.310 33.136 31.823 0.006 0.000 0.985 73 V HN 0.619 nan 8.190 nan 0.000 0.466 74 L N 6.853 127.944 121.223 -0.220 0.000 2.332 74 L HA 0.609 4.950 4.340 0.002 0.000 0.269 74 L C -2.267 174.355 176.870 -0.413 0.000 1.016 74 L CA -2.004 52.550 54.840 -0.477 0.000 0.809 74 L CB 2.182 43.862 42.059 -0.631 0.000 1.280 74 L HN 0.406 nan 8.230 nan 0.000 0.447 75 P HA 0.027 nan 4.420 nan 0.000 0.285 75 P C -1.179 175.996 177.300 -0.209 0.000 1.259 75 P CA -0.335 62.508 63.100 -0.429 0.000 0.794 75 P CB 1.063 32.364 31.700 -0.663 0.000 0.940 76 D N 5.441 125.779 120.400 -0.103 0.000 2.349 76 D HA 0.004 4.646 4.640 0.002 0.000 0.266 76 D C -0.951 175.289 176.300 -0.100 0.000 1.293 76 D CA -1.774 52.191 54.000 -0.057 0.000 0.926 76 D CB 0.707 41.505 40.800 -0.003 0.000 1.090 76 D HN 0.236 nan 8.370 nan 0.000 0.502 77 P HA -0.143 nan 4.420 nan 0.000 0.221 77 P C 0.371 177.589 177.300 -0.136 0.000 1.145 77 P CA 0.641 63.529 63.100 -0.355 0.000 0.795 77 P CB 0.285 31.427 31.700 -0.931 0.000 0.775 78 N N 0.236 118.879 118.700 -0.095 0.000 2.466 78 N HA 0.004 4.745 4.740 0.002 0.000 0.211 78 N C 1.039 176.577 175.510 0.046 0.000 1.256 78 N CA 0.552 53.595 53.050 -0.011 0.000 0.840 78 N CB 0.160 38.635 38.487 -0.020 0.000 1.079 78 N HN 0.453 nan 8.380 nan 0.000 0.466 79 K N -0.916 119.528 120.400 0.073 0.000 2.937 79 K HA 0.071 4.392 4.320 0.002 0.000 0.194 79 K C 0.157 176.842 176.600 0.142 0.000 1.589 79 K CA -0.537 55.805 56.287 0.091 0.000 1.303 79 K CB 0.151 32.699 32.500 0.079 0.000 1.864 79 K HN -0.092 nan 8.250 nan 0.000 0.608 80 F N 3.161 123.093 119.950 -0.030 0.000 2.569 80 F HA -0.142 4.387 4.527 0.002 0.000 0.372 80 F C 0.228 176.034 175.800 0.010 0.000 1.053 80 F CA -0.073 57.914 58.000 -0.020 0.000 1.282 80 F CB 0.331 39.304 39.000 -0.044 0.000 0.956 80 F HN 0.150 nan 8.300 nan 0.000 0.591 81 A N 8.107 130.710 122.820 -0.361 0.000 2.341 81 A HA 0.553 4.874 4.320 0.002 0.000 0.326 81 A C -0.516 176.867 177.584 -0.334 0.000 1.402 81 A CA -0.694 51.186 52.037 -0.261 0.000 0.957 81 A CB -0.280 18.609 19.000 -0.185 0.000 1.151 81 A HN 0.717 nan 8.150 nan 0.000 0.533 82 L N 3.447 124.597 121.223 -0.122 0.000 2.456 82 L HA 0.333 4.675 4.340 0.002 0.000 0.257 82 L C -0.672 176.198 176.870 0.000 0.000 1.162 82 L CA -1.601 53.231 54.840 -0.013 0.000 0.808 82 L CB 0.828 42.939 42.059 0.086 0.000 1.136 82 L HN 0.550 nan 8.230 nan 0.000 0.466 83 P HA -0.030 nan 4.420 nan 0.000 0.229 83 P C -0.256 177.063 177.300 0.031 0.000 1.160 83 P CA 0.752 63.870 63.100 0.029 0.000 0.777 83 P CB 0.298 32.024 31.700 0.043 0.000 0.814 84 D N -1.718 118.707 120.400 0.042 0.000 2.450 84 D HA 0.465 5.106 4.640 0.002 0.000 0.238 84 D C 0.071 176.403 176.300 0.052 0.000 1.020 84 D CA -0.804 53.221 54.000 0.042 0.000 1.010 84 D CB 1.522 42.347 40.800 0.042 0.000 1.342 84 D HN -0.364 nan 8.370 nan 0.000 0.530 85 S N -0.762 114.976 115.700 0.063 0.000 2.752 85 S HA 0.078 4.550 4.470 0.002 0.000 0.242 85 S C 0.398 175.068 174.600 0.115 0.000 0.914 85 S CA -0.288 57.970 58.200 0.096 0.000 1.427 85 S CB 0.201 63.444 63.200 0.071 0.000 1.244 85 S HN 0.358 nan 8.310 nan 0.000 0.655 86 S N 1.561 117.313 115.700 0.088 0.000 2.548 86 S HA 0.159 4.630 4.470 0.002 0.000 0.215 86 S C 1.608 176.277 174.600 0.115 0.000 0.976 86 S CA -0.124 58.122 58.200 0.077 0.000 0.908 86 S CB -0.151 63.076 63.200 0.045 0.000 0.781 86 S HN 0.558 nan 8.310 nan 0.000 0.519 87 L N 1.544 122.850 121.223 0.137 0.000 2.270 87 L HA -0.044 4.297 4.340 0.002 0.000 0.217 87 L C 0.222 177.256 176.870 0.274 0.000 1.107 87 L CA 1.153 56.068 54.840 0.125 0.000 0.772 87 L CB -0.072 41.988 42.059 0.002 0.000 0.902 87 L HN 0.503 nan 8.230 nan 0.000 0.439 88 F N -3.699 116.228 119.950 -0.039 0.000 2.878 88 F HA 0.248 4.776 4.527 0.002 0.000 0.322 88 F C -1.495 174.275 175.800 -0.049 0.000 1.154 88 F CA -1.499 56.472 58.000 -0.049 0.000 0.896 88 F CB 0.243 39.202 39.000 -0.069 0.000 1.313 88 F HN -0.299 nan 8.300 nan 0.000 0.451 89 D N 3.807 123.985 120.400 -0.370 0.000 2.411 89 D HA 0.355 4.996 4.640 0.002 0.000 0.225 89 D C -1.558 174.297 176.300 -0.742 0.000 1.156 89 D CA -2.577 51.145 54.000 -0.464 0.000 0.874 89 D CB 1.315 41.987 40.800 -0.212 0.000 1.034 89 D HN 0.298 nan 8.370 nan 0.000 0.502 90 P HA -0.092 nan 4.420 nan 0.000 0.236 90 P C 0.579 177.670 177.300 -0.349 0.000 1.172 90 P CA 0.656 63.325 63.100 -0.718 0.000 0.759 90 P CB 0.331 31.729 31.700 -0.502 0.000 0.843 91 T N -1.263 113.122 114.554 -0.281 0.000 3.031 91 T HA -0.007 4.345 4.350 0.002 0.000 0.254 91 T C 1.692 176.319 174.700 -0.122 0.000 1.060 91 T CA 1.775 63.778 62.100 -0.161 0.000 1.135 91 T CB -0.225 68.569 68.868 -0.124 0.000 0.896 91 T HN 0.323 nan 8.240 nan 0.000 0.472 92 T N -0.156 114.317 114.554 -0.134 0.000 2.971 92 T HA 0.242 4.593 4.350 0.002 0.000 0.252 92 T C 0.490 175.152 174.700 -0.064 0.000 1.022 92 T CA -0.501 61.553 62.100 -0.077 0.000 0.980 92 T CB 0.128 68.965 68.868 -0.053 0.000 1.044 92 T HN 0.475 nan 8.240 nan 0.000 0.501 93 Q N 0.112 119.856 119.800 -0.093 0.000 2.451 93 Q HA 0.731 5.073 4.340 0.002 0.000 0.281 93 Q C -1.274 174.695 176.000 -0.052 0.000 1.099 93 Q CA -1.362 54.421 55.803 -0.034 0.000 0.806 93 Q CB 2.091 30.883 28.738 0.091 0.000 1.419 93 Q HN -0.068 nan 8.270 nan 0.000 0.427 94 R N 0.770 121.142 120.500 -0.212 0.000 2.854 94 R HA 0.618 4.959 4.340 0.002 0.000 0.271 94 R C -0.806 175.258 176.300 -0.393 0.000 0.996 94 R CA -0.915 54.908 56.100 -0.463 0.000 0.961 94 R CB 1.663 31.134 30.300 -1.381 0.000 1.182 94 R HN 0.646 nan 8.270 nan 0.000 0.479 95 L N 1.128 122.107 121.223 -0.407 0.000 2.334 95 L HA 0.663 5.004 4.340 0.002 0.000 0.275 95 L C -0.414 176.261 176.870 -0.324 0.000 1.036 95 L CA -0.985 53.605 54.840 -0.417 0.000 0.807 95 L CB 1.806 43.555 42.059 -0.518 0.000 1.231 95 L HN 0.148 nan 8.230 nan 0.000 0.438 96 V N 0.171 119.874 119.914 -0.351 0.000 2.888 96 V HA 0.338 4.460 4.120 0.002 0.000 0.309 96 V C -1.240 174.647 176.094 -0.345 0.000 1.114 96 V CA -0.861 61.294 62.300 -0.242 0.000 0.940 96 V CB 2.077 33.834 31.823 -0.111 0.000 1.021 96 V HN 0.641 nan 8.190 nan 0.000 0.426 97 W N 2.030 123.241 121.300 -0.147 0.000 2.315 97 W HA 0.711 5.373 4.660 0.003 0.000 0.316 97 W C 0.261 176.725 176.519 -0.092 0.000 1.211 97 W CA -0.315 56.949 57.345 -0.135 0.000 1.201 97 W CB 1.526 30.842 29.460 -0.240 0.000 1.184 97 W HN 0.726 nan 8.180 nan 0.000 0.544 98 A N 3.183 126.187 122.820 0.307 0.000 2.331 98 A HA 0.487 4.808 4.320 0.002 0.000 0.320 98 A C -1.056 176.689 177.584 0.269 0.000 1.138 98 A CA -0.676 51.449 52.037 0.146 0.000 0.790 98 A CB 0.862 19.872 19.000 0.015 0.000 1.206 98 A HN 0.743 nan 8.150 nan 0.000 0.470 99 C N 2.360 121.764 119.300 0.172 0.000 2.566 99 C HA 0.445 4.907 4.460 0.002 0.000 0.393 99 C C 1.576 176.538 174.990 -0.047 0.000 1.309 99 C CA 0.576 59.635 59.018 0.068 0.000 1.801 99 C CB -0.848 26.941 27.740 0.081 0.000 2.493 99 C HN 0.889 nan 8.230 nan 0.000 0.575 100 T N 3.356 117.865 114.554 -0.075 0.000 3.033 100 T HA 0.361 4.712 4.350 0.002 0.000 0.248 100 T C 0.643 175.390 174.700 0.078 0.000 1.040 100 T CA 0.953 63.074 62.100 0.036 0.000 1.133 100 T CB 0.195 69.113 68.868 0.084 0.000 0.895 100 T HN 1.004 nan 8.240 nan 0.000 0.465 101 G N 0.704 109.454 108.800 -0.083 0.000 2.519 101 G HA2 0.564 4.525 3.960 0.002 0.000 0.292 101 G HA3 0.564 4.525 3.960 0.002 0.000 0.292 101 G C -2.108 172.527 174.900 -0.441 0.000 1.507 101 G CA -0.848 44.127 45.100 -0.207 0.000 0.806 101 G HN 0.432 nan 8.290 nan 0.000 0.523 102 L N -1.892 118.990 121.223 -0.568 0.000 2.491 102 L HA 1.052 5.394 4.340 0.002 0.000 0.254 102 L C -1.238 175.197 176.870 -0.725 0.000 1.048 102 L CA -1.046 53.407 54.840 -0.645 0.000 0.855 102 L CB 2.673 44.395 42.059 -0.563 0.000 1.466 102 L HN 0.704 nan 8.230 nan 0.000 0.409 103 E N 0.856 120.627 120.200 -0.714 0.000 2.287 103 E HA 0.449 4.801 4.350 0.002 0.000 0.274 103 E C -1.906 174.413 176.600 -0.469 0.000 0.896 103 E CA -0.721 55.304 56.400 -0.624 0.000 0.788 103 E CB 2.482 31.872 29.700 -0.518 0.000 1.244 103 E HN 0.571 nan 8.360 nan 0.000 0.408 104 V N 4.393 124.139 119.914 -0.280 0.000 2.322 104 V HA 0.372 4.494 4.120 0.002 0.000 0.258 104 V C 0.874 176.909 176.094 -0.099 0.000 1.074 104 V CA 0.025 62.244 62.300 -0.134 0.000 0.909 104 V CB 0.638 32.537 31.823 0.128 0.000 1.090 104 V HN 0.733 nan 8.190 nan 0.000 0.486 105 G N 5.383 114.090 108.800 -0.154 0.000 2.398 105 G HA2 0.396 4.357 3.960 0.002 0.000 0.246 105 G HA3 0.396 4.357 3.960 0.002 0.000 0.246 105 G C -0.080 174.721 174.900 -0.165 0.000 1.289 105 G CA -0.430 44.593 45.100 -0.129 0.000 0.869 105 G HN 0.517 nan 8.290 nan 0.000 0.543 106 R N 1.456 121.853 120.500 -0.172 0.000 2.483 106 R HA 0.419 4.761 4.340 0.002 0.000 0.303 106 R C 0.402 176.582 176.300 -0.200 0.000 0.987 106 R CA -0.523 55.407 56.100 -0.284 0.000 0.881 106 R CB 1.742 31.866 30.300 -0.292 0.000 1.177 106 R HN 0.661 nan 8.270 nan 0.000 0.451 107 G N 0.980 109.646 108.800 -0.224 0.000 2.532 107 G HA2 0.399 4.360 3.960 0.002 0.000 0.291 107 G HA3 0.399 4.360 3.960 0.002 0.000 0.291 107 G C -0.802 174.013 174.900 -0.141 0.000 1.349 107 G CA -0.155 44.858 45.100 -0.145 0.000 1.038 107 G HN 0.408 nan 8.290 nan 0.000 0.518 108 Q N -1.310 118.432 119.800 -0.097 0.000 3.243 108 Q HA -0.130 4.212 4.340 0.002 0.000 0.024 108 Q C -2.506 173.459 176.000 -0.058 0.000 1.715 108 Q CA 0.409 56.166 55.803 -0.078 0.000 0.237 108 Q CB -1.386 27.290 28.738 -0.104 0.000 0.590 108 Q HN 0.597 nan 8.270 nan 0.000 0.322 109 P HA 0.246 nan 4.420 nan 0.000 0.273 109 P C -0.082 177.213 177.300 -0.009 0.000 1.250 109 P CA -0.585 62.504 63.100 -0.018 0.000 0.793 109 P CB 0.548 32.242 31.700 -0.010 0.000 1.011 110 L N 0.125 121.349 121.223 0.001 0.000 2.436 110 L HA 0.625 4.966 4.340 0.002 0.000 0.265 110 L C 1.145 178.027 176.870 0.019 0.000 1.168 110 L CA 1.172 56.020 54.840 0.013 0.000 0.815 110 L CB 0.101 42.172 42.059 0.019 0.000 1.109 110 L HN 0.827 nan 8.230 nan 0.000 0.462 111 G N 1.015 109.832 108.800 0.027 0.000 2.338 111 G HA2 0.504 4.466 3.960 0.002 0.000 0.295 111 G HA3 0.504 4.466 3.960 0.002 0.000 0.295 111 G C -1.675 173.247 174.900 0.038 0.000 1.461 111 G CA -0.119 45.000 45.100 0.032 0.000 0.817 111 G HN 0.701 nan 8.290 nan 0.000 0.556 112 V N -1.525 118.417 119.914 0.046 0.000 2.769 112 V HA 1.000 5.122 4.120 0.002 0.000 0.312 112 V C 0.518 176.647 176.094 0.057 0.000 1.058 112 V CA -0.212 62.130 62.300 0.070 0.000 0.952 112 V CB 1.698 33.575 31.823 0.089 0.000 1.019 112 V HN 1.780 nan 8.190 nan 0.000 0.445 113 G N 1.957 110.826 108.800 0.116 0.000 2.368 113 G HA2 0.581 4.542 3.960 0.002 0.000 0.320 113 G HA3 0.581 4.542 3.960 0.002 0.000 0.320 113 G C -0.719 174.207 174.900 0.043 0.000 1.158 113 G CA -0.641 44.507 45.100 0.078 0.000 0.912 113 G HN 0.971 nan 8.290 nan 0.000 0.456 114 V N 1.867 121.774 119.914 -0.011 0.000 2.583 114 V HA 0.516 4.638 4.120 0.002 0.000 0.287 114 V C 0.399 176.459 176.094 -0.056 0.000 1.051 114 V CA -0.248 62.014 62.300 -0.063 0.000 1.010 114 V CB 1.073 32.885 31.823 -0.019 0.000 0.988 114 V HN 0.727 nan 8.190 nan 0.000 0.478 115 S N 1.905 117.432 115.700 -0.288 0.000 2.599 115 S HA 0.964 5.435 4.470 0.002 0.000 0.294 115 S C 0.219 174.587 174.600 -0.385 0.000 1.094 115 S CA -0.109 57.836 58.200 -0.424 0.000 0.931 115 S CB 2.149 64.875 63.200 -0.790 0.000 1.093 115 S HN 1.220 nan 8.310 nan 0.000 0.488 116 G N 0.316 108.841 108.800 -0.458 0.000 2.561 116 G HA2 0.582 4.543 3.960 0.002 0.000 0.310 116 G HA3 0.582 4.543 3.960 0.002 0.000 0.310 116 G C -2.211 172.562 174.900 -0.212 0.000 1.292 116 G CA -0.389 44.561 45.100 -0.249 0.000 0.811 116 G HN 0.667 nan 8.290 nan 0.000 0.482 117 H N -0.400 118.558 119.070 -0.187 0.000 3.137 117 H HA 0.382 4.940 4.556 0.003 0.000 0.336 117 H C -2.345 172.925 175.328 -0.096 0.000 1.055 117 H CA -1.206 54.755 56.048 -0.144 0.000 1.349 117 H CB 2.777 32.453 29.762 -0.143 0.000 1.939 117 H HN 0.141 nan 8.280 nan 0.000 0.487 118 P HA 0.003 nan 4.420 nan 0.000 0.218 118 P C 0.326 177.686 177.300 0.101 0.000 1.149 118 P CA 1.079 64.266 63.100 0.143 0.000 0.817 118 P CB 0.493 32.258 31.700 0.108 0.000 0.785 119 L N -0.960 120.349 121.223 0.143 0.000 2.784 119 L HA 0.297 4.639 4.340 0.002 0.000 0.241 119 L C -0.192 176.356 176.870 -0.537 0.000 1.352 119 L CA -0.921 53.822 54.840 -0.161 0.000 0.911 119 L CB 0.393 42.406 42.059 -0.077 0.000 1.227 119 L HN -0.069 nan 8.230 nan 0.000 0.501 120 L N 1.149 122.118 121.223 -0.422 0.000 2.397 120 L HA 0.236 4.578 4.340 0.002 0.000 0.271 120 L C 0.924 177.631 176.870 -0.272 0.000 1.148 120 L CA 0.396 54.984 54.840 -0.419 0.000 0.825 120 L CB 0.652 42.576 42.059 -0.225 0.000 1.117 120 L HN 0.242 nan 8.230 nan 0.000 0.456 121 N N 4.561 123.123 118.700 -0.229 0.000 3.103 121 N HA -0.008 4.733 4.740 0.002 0.000 0.305 121 N C -0.820 174.632 175.510 -0.095 0.000 1.232 121 N CA 0.137 53.105 53.050 -0.136 0.000 1.190 121 N CB -0.248 38.177 38.487 -0.103 0.000 1.461 121 N HN 0.453 nan 8.380 nan 0.000 0.538 122 K N 3.166 123.474 120.400 -0.153 0.000 2.419 122 K HA 0.014 4.336 4.320 0.002 0.000 0.244 122 K C -0.013 176.478 176.600 -0.181 0.000 1.045 122 K CA -0.550 55.586 56.287 -0.251 0.000 1.004 122 K CB 0.204 32.348 32.500 -0.594 0.000 1.376 122 K HN 0.234 nan 8.250 nan 0.000 0.460 123 Y N 3.015 123.214 120.300 -0.169 0.000 2.277 123 Y HA -0.001 4.553 4.550 0.006 0.000 0.258 123 Y C 0.369 176.196 175.900 -0.121 0.000 1.056 123 Y CA 1.322 59.346 58.100 -0.126 0.000 1.057 123 Y CB 0.136 38.550 38.460 -0.077 0.000 1.018 123 Y HN 0.497 nan 8.280 nan 0.000 0.471 124 D N 0.507 120.714 120.400 -0.320 0.000 2.248 124 D HA 0.096 4.738 4.640 0.002 0.000 0.246 124 D C -1.513 174.774 176.300 -0.022 0.000 1.027 124 D CA -0.437 53.359 54.000 -0.341 0.000 0.853 124 D CB 1.276 41.843 40.800 -0.389 0.000 1.243 124 D HN 0.281 nan 8.370 nan 0.000 0.462 125 D N 2.024 122.427 120.400 0.004 0.000 2.339 125 D HA -0.006 4.635 4.640 0.002 0.000 0.256 125 D C 1.103 177.523 176.300 0.199 0.000 1.214 125 D CA -0.331 53.800 54.000 0.219 0.000 0.877 125 D CB 1.017 41.921 40.800 0.173 0.000 1.111 125 D HN 0.122 nan 8.370 nan 0.000 0.478 126 V N 1.456 121.538 119.914 0.280 0.000 3.650 126 V HA 0.112 4.234 4.120 0.002 0.000 0.271 126 V C 1.774 177.944 176.094 0.127 0.000 1.281 126 V CA 0.757 63.169 62.300 0.185 0.000 1.120 126 V CB -0.431 31.509 31.823 0.195 0.000 0.856 126 V HN 0.590 nan 8.190 nan 0.000 0.443 127 E N 1.589 121.927 120.200 0.229 0.000 2.058 127 E HA -0.219 4.132 4.350 0.002 0.000 0.194 127 E C 0.519 177.182 176.600 0.104 0.000 0.997 127 E CA 1.543 58.069 56.400 0.211 0.000 0.801 127 E CB 0.128 30.048 29.700 0.368 0.000 0.746 127 E HN 0.652 nan 8.360 nan 0.000 0.450 128 N N -0.245 118.523 118.700 0.113 0.000 2.747 128 N HA 0.091 4.832 4.740 0.002 0.000 0.262 128 N C -2.083 173.469 175.510 0.069 0.000 1.261 128 N CA -0.119 52.975 53.050 0.074 0.000 0.809 128 N CB 1.710 40.243 38.487 0.075 0.000 1.450 128 N HN 0.106 nan 8.380 nan 0.000 0.560 129 S N -0.190 115.543 115.700 0.055 0.000 2.532 129 S HA 0.693 5.164 4.470 0.002 0.000 0.299 129 S C 1.206 175.830 174.600 0.039 0.000 1.105 129 S CA -0.302 57.922 58.200 0.040 0.000 1.018 129 S CB 1.761 64.978 63.200 0.028 0.000 1.021 129 S HN 0.376 nan 8.310 nan 0.000 0.483 130 G N 2.780 111.598 108.800 0.031 0.000 2.981 130 G HA2 0.313 4.274 3.960 0.002 0.000 0.199 130 G HA3 0.313 4.274 3.960 0.002 0.000 0.199 130 G C 0.619 175.553 174.900 0.056 0.000 1.434 130 G CA 0.552 45.674 45.100 0.037 0.000 0.800 130 G HN 1.224 nan 8.290 nan 0.000 0.702 131 G N -2.871 105.964 108.800 0.059 0.000 2.597 131 G HA2 0.444 4.406 3.960 0.002 0.000 0.317 131 G HA3 0.444 4.406 3.960 0.002 0.000 0.317 131 G C -1.338 173.641 174.900 0.131 0.000 1.230 131 G CA -0.844 44.318 45.100 0.103 0.000 0.996 131 G HN 0.234 nan 8.290 nan 0.000 0.490 132 Y N 1.815 122.132 120.300 0.029 0.000 2.601 132 Y HA 0.287 4.838 4.550 0.001 0.000 0.350 132 Y C 1.526 177.449 175.900 0.039 0.000 1.230 132 Y CA 0.365 58.489 58.100 0.040 0.000 1.733 132 Y CB -0.377 38.106 38.460 0.039 0.000 1.497 132 Y HN 0.576 nan 8.280 nan 0.000 0.472 133 G N 2.221 111.009 108.800 -0.020 0.000 2.661 133 G HA2 0.256 4.217 3.960 0.002 0.000 0.272 133 G HA3 0.256 4.217 3.960 0.002 0.000 0.272 133 G C 0.777 175.692 174.900 0.025 0.000 1.296 133 G CA -0.236 44.863 45.100 -0.002 0.000 0.998 133 G HN 0.799 nan 8.290 nan 0.000 0.553 134 G N -1.383 107.443 108.800 0.044 0.000 2.529 134 G HA2 0.330 4.291 3.960 0.002 0.000 0.277 134 G HA3 0.330 4.291 3.960 0.002 0.000 0.277 134 G C -0.081 174.870 174.900 0.085 0.000 1.383 134 G CA -0.602 44.536 45.100 0.064 0.000 1.050 134 G HN 0.702 nan 8.290 nan 0.000 0.526 135 N N 0.659 119.400 118.700 0.070 0.000 2.405 135 N HA 0.421 5.163 4.740 0.002 0.000 0.299 135 N C -2.409 173.112 175.510 0.018 0.000 1.075 135 N CA -1.028 52.045 53.050 0.039 0.000 0.884 135 N CB 1.887 40.375 38.487 0.001 0.000 1.194 135 N HN 0.359 nan 8.380 nan 0.000 0.491 136 P HA 0.072 nan 4.420 nan 0.000 0.268 136 P C 0.074 177.306 177.300 -0.113 0.000 1.205 136 P CA -0.182 62.820 63.100 -0.164 0.000 0.771 136 P CB 1.055 32.328 31.700 -0.711 0.000 0.858 137 G N 2.354 111.122 108.800 -0.053 0.000 3.199 137 G HA2 0.154 4.116 3.960 0.002 0.000 0.184 137 G HA3 0.154 4.116 3.960 0.002 0.000 0.184 137 G C -0.459 174.404 174.900 -0.061 0.000 1.974 137 G CA -0.205 44.868 45.100 -0.045 0.000 0.885 137 G HN 0.636 nan 8.290 nan 0.000 0.575 138 Q N 0.368 120.143 119.800 -0.042 0.000 2.330 138 Q HA 0.387 4.728 4.340 0.002 0.000 0.269 138 Q C -1.620 174.357 176.000 -0.037 0.000 1.022 138 Q CA -0.698 55.078 55.803 -0.045 0.000 0.796 138 Q CB 2.470 31.187 28.738 -0.035 0.000 1.271 138 Q HN 0.497 nan 8.270 nan 0.000 0.450 139 D N 2.079 122.451 120.400 -0.046 0.000 4.621 139 D HA -0.141 4.501 4.640 0.002 0.000 0.241 139 D C -0.888 175.398 176.300 -0.024 0.000 1.065 139 D CA 0.650 54.626 54.000 -0.039 0.000 1.247 139 D CB -0.422 40.358 40.800 -0.033 0.000 0.793 139 D HN 0.810 nan 8.370 nan 0.000 0.391 140 N N 1.686 120.376 118.700 -0.017 0.000 2.170 140 N HA 0.115 4.856 4.740 0.002 0.000 0.222 140 N C -0.051 175.451 175.510 -0.014 0.000 1.218 140 N CA -0.429 52.633 53.050 0.022 0.000 0.889 140 N CB 0.500 39.068 38.487 0.135 0.000 1.083 140 N HN 0.250 nan 8.380 nan 0.000 0.520 141 R N 0.824 121.293 120.500 -0.051 0.000 2.619 141 R HA 0.162 4.503 4.340 0.002 0.000 0.268 141 R C 0.017 176.261 176.300 -0.093 0.000 0.990 141 R CA 0.292 56.335 56.100 -0.096 0.000 1.092 141 R CB 0.267 30.494 30.300 -0.121 0.000 0.935 141 R HN -0.018 nan 8.270 nan 0.000 0.415 142 V N -1.080 118.759 119.914 -0.125 0.000 3.078 142 V HA 0.322 4.443 4.120 0.002 0.000 0.311 142 V C -0.355 175.677 176.094 -0.104 0.000 1.138 142 V CA -1.204 61.029 62.300 -0.111 0.000 1.007 142 V CB 2.116 33.856 31.823 -0.138 0.000 1.045 142 V HN 0.823 nan 8.190 nan 0.000 0.432 143 N N 1.108 119.767 118.700 -0.069 0.000 2.431 143 N HA 0.469 5.211 4.740 0.002 0.000 0.265 143 N C -0.838 174.637 175.510 -0.058 0.000 1.184 143 N CA -0.168 52.856 53.050 -0.042 0.000 0.943 143 N CB 0.774 39.247 38.487 -0.024 0.000 1.080 143 N HN 0.647 nan 8.380 nan 0.000 0.477 144 V N 1.565 121.451 119.914 -0.048 0.000 2.823 144 V HA 0.767 4.889 4.120 0.002 0.000 0.312 144 V C 0.469 176.548 176.094 -0.026 0.000 1.072 144 V CA -0.803 61.474 62.300 -0.039 0.000 0.937 144 V CB 1.949 33.749 31.823 -0.038 0.000 1.013 144 V HN 0.736 nan 8.190 nan 0.000 0.430 145 G N 4.160 112.949 108.800 -0.019 0.000 2.701 145 G HA2 0.762 4.723 3.960 0.002 0.000 0.300 145 G HA3 0.762 4.723 3.960 0.002 0.000 0.300 145 G C -1.091 173.786 174.900 -0.038 0.000 1.410 145 G CA -0.520 44.552 45.100 -0.048 0.000 1.014 145 G HN 0.710 nan 8.290 nan 0.000 0.509 146 M N 0.796 120.341 119.600 -0.092 0.000 3.213 146 M HA 0.617 5.099 4.480 0.002 0.000 0.278 146 M C -2.202 173.986 176.300 -0.186 0.000 1.332 146 M CA -0.866 54.379 55.300 -0.091 0.000 0.810 146 M CB 1.966 34.538 32.600 -0.046 0.000 1.676 146 M HN 0.516 nan 8.290 nan 0.000 0.463 147 D N 0.719 121.031 120.400 -0.147 0.000 2.256 147 D HA 0.429 5.071 4.640 0.002 0.000 0.246 147 D C -1.095 175.149 176.300 -0.094 0.000 1.042 147 D CA -0.217 53.693 54.000 -0.150 0.000 0.841 147 D CB 1.305 42.087 40.800 -0.030 0.000 1.223 147 D HN 0.671 nan 8.370 nan 0.000 0.470 148 Y N 0.258 120.443 120.300 -0.191 0.000 2.220 148 Y HA 0.045 4.597 4.550 0.003 0.000 0.347 148 Y C 1.540 177.401 175.900 -0.064 0.000 1.311 148 Y CA -0.959 56.983 58.100 -0.262 0.000 1.593 148 Y CB 0.904 38.908 38.460 -0.759 0.000 1.419 148 Y HN 0.279 nan 8.280 nan 0.000 0.614 149 K N 2.042 122.522 120.400 0.134 0.000 2.368 149 K HA 0.016 4.338 4.320 0.002 0.000 0.282 149 K C -0.481 176.272 176.600 0.254 0.000 1.035 149 K CA -0.408 55.951 56.287 0.120 0.000 0.973 149 K CB 0.660 33.186 32.500 0.043 0.000 0.957 149 K HN 0.621 nan 8.250 nan 0.000 0.474 150 Q N 2.664 122.592 119.800 0.213 0.000 2.352 150 Q HA 0.098 4.440 4.340 0.002 0.000 0.260 150 Q C -1.183 174.924 176.000 0.178 0.000 0.976 150 Q CA 0.280 56.210 55.803 0.212 0.000 0.881 150 Q CB 0.905 29.737 28.738 0.158 0.000 1.235 150 Q HN 0.720 nan 8.270 nan 0.000 0.419 151 T N 4.296 118.948 114.554 0.164 0.000 3.172 151 T HA 0.303 4.654 4.350 0.002 0.000 0.320 151 T C -1.406 173.378 174.700 0.141 0.000 1.085 151 T CA -0.719 61.471 62.100 0.150 0.000 1.052 151 T CB 1.474 70.440 68.868 0.163 0.000 1.107 151 T HN 0.591 nan 8.240 nan 0.000 0.458 152 Q N 2.313 122.197 119.800 0.140 0.000 2.304 152 Q HA 0.766 5.107 4.340 0.002 0.000 0.270 152 Q C -1.266 174.817 176.000 0.138 0.000 1.035 152 Q CA -1.077 54.828 55.803 0.170 0.000 0.781 152 Q CB 2.755 31.535 28.738 0.069 0.000 1.261 152 Q HN 0.637 nan 8.270 nan 0.000 0.444 153 L N -0.460 120.903 121.223 0.234 0.000 2.622 153 L HA 0.932 5.273 4.340 0.002 0.000 0.258 153 L C -1.785 175.273 176.870 0.314 0.000 0.996 153 L CA -0.676 54.286 54.840 0.203 0.000 0.858 153 L CB 2.268 44.454 42.059 0.211 0.000 1.449 153 L HN 0.758 nan 8.230 nan 0.000 0.411 154 C N 4.210 123.659 119.300 0.249 0.000 3.046 154 C HA 0.866 5.328 4.460 0.002 0.000 0.388 154 C C -1.289 173.866 174.990 0.276 0.000 1.041 154 C CA -0.430 58.787 59.018 0.332 0.000 1.241 154 C CB 1.072 29.066 27.740 0.423 0.000 1.638 154 C HN 1.188 nan 8.230 nan 0.000 0.539 155 M N 5.444 125.220 119.600 0.293 0.000 2.322 155 M HA 0.736 5.217 4.480 0.002 0.000 0.286 155 M C -1.556 174.892 176.300 0.246 0.000 1.111 155 M CA -0.544 54.927 55.300 0.286 0.000 0.941 155 M CB 1.510 34.242 32.600 0.221 0.000 1.671 155 M HN 0.307 nan 8.290 nan 0.000 0.470 156 V N 1.878 121.969 119.914 0.295 0.000 2.713 156 V HA 1.035 5.156 4.120 0.002 0.000 0.307 156 V C 0.484 176.444 176.094 -0.224 0.000 1.052 156 V CA -0.006 62.408 62.300 0.191 0.000 0.967 156 V CB 1.638 33.701 31.823 0.400 0.000 1.019 156 V HN 1.109 nan 8.190 nan 0.000 0.459 157 G N 0.353 108.938 108.800 -0.358 0.000 2.506 157 G HA2 0.387 4.348 3.960 0.002 0.000 0.292 157 G HA3 0.387 4.348 3.960 0.002 0.000 0.292 157 G C -0.243 174.504 174.900 -0.255 0.000 1.425 157 G CA 0.105 44.732 45.100 -0.788 0.000 0.788 157 G HN 1.078 nan 8.290 nan 0.000 0.490 158 C N -0.681 118.554 119.300 -0.108 0.000 2.688 158 C HA 0.789 5.250 4.460 0.002 0.000 0.297 158 C C 0.915 175.967 174.990 0.105 0.000 1.308 158 C CA -0.017 59.081 59.018 0.133 0.000 1.726 158 C CB -1.533 26.390 27.740 0.305 0.000 1.982 158 C HN 1.508 nan 8.230 nan 0.000 0.604 159 A N 1.201 124.021 122.820 -0.001 0.000 2.572 159 A HA 0.876 5.197 4.320 0.002 0.000 0.295 159 A C -2.956 174.556 177.584 -0.120 0.000 1.072 159 A CA -1.176 50.862 52.037 0.001 0.000 0.691 159 A CB 0.999 20.038 19.000 0.066 0.000 1.291 159 A HN 0.179 nan 8.150 nan 0.000 0.404 160 P HA 0.230 nan 4.420 nan 0.000 0.269 160 P C -2.646 174.562 177.300 -0.154 0.000 1.209 160 P CA -0.630 62.313 63.100 -0.262 0.000 0.776 160 P CB 0.013 31.465 31.700 -0.414 0.000 0.876 161 P HA 0.209 nan 4.420 nan 0.000 0.274 161 P C -0.523 176.686 177.300 -0.152 0.000 1.237 161 P CA 0.035 63.054 63.100 -0.136 0.000 0.793 161 P CB 0.879 32.500 31.700 -0.132 0.000 0.977 162 L N 1.000 122.122 121.223 -0.167 0.000 2.325 162 L HA 0.696 5.038 4.340 0.002 0.000 0.278 162 L C 0.956 177.700 176.870 -0.209 0.000 1.023 162 L CA -0.405 54.341 54.840 -0.157 0.000 0.811 162 L CB 1.868 43.858 42.059 -0.116 0.000 1.249 162 L HN 0.530 nan 8.230 nan 0.000 0.431 163 G N 1.491 110.188 108.800 -0.171 0.000 2.714 163 G HA2 0.741 4.702 3.960 0.002 0.000 0.292 163 G HA3 0.741 4.702 3.960 0.002 0.000 0.292 163 G C -1.613 173.240 174.900 -0.078 0.000 1.308 163 G CA -0.379 44.628 45.100 -0.155 0.000 0.964 163 G HN 0.642 nan 8.290 nan 0.000 0.484 164 E N -0.630 119.559 120.200 -0.018 0.000 2.356 164 E HA 0.636 4.987 4.350 0.002 0.000 0.275 164 E C -1.341 175.278 176.600 0.031 0.000 0.904 164 E CA -1.050 55.308 56.400 -0.069 0.000 0.757 164 E CB 2.435 32.066 29.700 -0.115 0.000 1.232 164 E HN 0.785 nan 8.360 nan 0.000 0.442 165 H N 0.146 119.101 119.070 -0.193 0.000 3.014 165 H HA 0.317 4.874 4.556 0.002 0.000 0.337 165 H C -1.849 173.311 175.328 -0.281 0.000 1.320 165 H CA -1.208 54.758 56.048 -0.138 0.000 1.128 165 H CB 0.458 30.193 29.762 -0.044 0.000 1.862 165 H HN 0.625 nan 8.280 nan 0.000 0.536 166 W N 1.013 122.304 121.300 -0.014 0.000 2.361 166 W HA 0.606 5.267 4.660 0.003 0.000 0.309 166 W C 0.496 177.006 176.519 -0.015 0.000 1.122 166 W CA -0.067 57.234 57.345 -0.074 0.000 1.208 166 W CB 1.912 31.342 29.460 -0.050 0.000 1.246 166 W HN 0.867 nan 8.180 nan 0.000 0.490 167 G N 1.906 110.779 108.800 0.121 0.000 2.685 167 G HA2 0.419 4.380 3.960 0.002 0.000 0.298 167 G HA3 0.419 4.380 3.960 0.002 0.000 0.298 167 G C -1.412 173.550 174.900 0.102 0.000 1.277 167 G CA -1.184 43.986 45.100 0.118 0.000 0.986 167 G HN 0.292 nan 8.290 nan 0.000 0.487 168 K N 0.314 120.760 120.400 0.076 0.000 2.412 168 K HA 0.335 4.657 4.320 0.002 0.000 0.284 168 K C 0.929 177.559 176.600 0.049 0.000 1.046 168 K CA -0.006 56.318 56.287 0.061 0.000 0.999 168 K CB 0.117 32.644 32.500 0.046 0.000 0.941 168 K HN 0.510 nan 8.250 nan 0.000 0.474 169 G N 2.139 110.971 108.800 0.055 0.000 2.516 169 G HA2 0.138 4.100 3.960 0.002 0.000 0.276 169 G HA3 0.138 4.100 3.960 0.002 0.000 0.276 169 G C -0.830 174.087 174.900 0.028 0.000 1.390 169 G CA -0.429 44.696 45.100 0.041 0.000 1.050 169 G HN 0.579 nan 8.290 nan 0.000 0.519 170 T N 0.957 115.524 114.554 0.022 0.000 2.815 170 T HA 0.365 4.716 4.350 0.002 0.000 0.289 170 T C 0.062 174.771 174.700 0.016 0.000 1.000 170 T CA -0.391 61.719 62.100 0.016 0.000 0.958 170 T CB 1.228 70.102 68.868 0.010 0.000 0.944 170 T HN 0.630 nan 8.240 nan 0.000 0.442 171 Q N 2.268 122.076 119.800 0.015 0.000 2.337 171 Q HA 0.409 4.750 4.340 0.002 0.000 0.270 171 Q C 0.444 176.450 176.000 0.010 0.000 1.002 171 Q CA -0.563 55.248 55.803 0.013 0.000 0.888 171 Q CB 0.431 29.176 28.738 0.011 0.000 1.222 171 Q HN 0.639 nan 8.270 nan 0.000 0.400 172 S N 2.143 117.850 115.700 0.010 0.000 2.598 172 S HA 0.150 4.622 4.470 0.002 0.000 0.267 172 S C 0.315 174.919 174.600 0.007 0.000 1.189 172 S CA -0.638 57.567 58.200 0.008 0.000 1.010 172 S CB 0.485 63.690 63.200 0.008 0.000 1.084 172 S HN 0.617 nan 8.310 nan 0.000 0.541 173 S N 1.473 117.177 115.700 0.005 0.000 3.870 173 S HA 0.194 4.665 4.470 0.002 0.000 0.198 173 S C 0.105 174.708 174.600 0.004 0.000 1.336 173 S CA -0.328 57.875 58.200 0.004 0.000 1.049 173 S CB -1.676 61.526 63.200 0.004 0.000 1.412 173 S HN 0.550 nan 8.310 nan 0.000 0.448 174 N N 0.343 119.046 118.700 0.005 0.000 2.518 174 N HA 0.257 4.999 4.740 0.002 0.000 0.284 174 N C -0.479 175.034 175.510 0.004 0.000 1.230 174 N CA -0.751 52.302 53.050 0.005 0.000 0.941 174 N CB 0.829 39.319 38.487 0.005 0.000 1.219 174 N HN 0.080 nan 8.380 nan 0.000 0.560 175 T N 0.945 115.501 114.554 0.003 0.000 2.723 175 T HA -0.136 4.216 4.350 0.002 0.000 0.260 175 T C 0.429 175.131 174.700 0.002 0.000 1.019 175 T CA 0.577 62.678 62.100 0.002 0.000 1.155 175 T CB 0.015 68.884 68.868 0.002 0.000 1.024 175 T HN 0.360 nan 8.240 nan 0.000 0.491 176 S N 2.746 118.447 115.700 0.002 0.000 2.737 176 S HA 0.045 4.517 4.470 0.002 0.000 0.315 176 S C 0.929 175.530 174.600 0.002 0.000 1.236 176 S CA -0.760 57.441 58.200 0.002 0.000 1.093 176 S CB -0.367 62.834 63.200 0.001 0.000 0.832 176 S HN 0.720 nan 8.310 nan 0.000 0.507 177 V N 5.897 125.813 119.914 0.003 0.000 2.399 177 V HA 0.176 4.297 4.120 0.002 0.000 0.245 177 V C 0.543 176.637 176.094 0.001 0.000 1.089 177 V CA -0.633 61.668 62.300 0.003 0.000 1.196 177 V CB -0.534 31.291 31.823 0.005 0.000 1.221 177 V HN 0.733 nan 8.190 nan 0.000 0.482 178 Q N 3.739 123.539 119.800 -0.000 0.000 2.304 178 Q HA -0.006 4.336 4.340 0.002 0.000 0.315 178 Q C 0.431 176.430 176.000 -0.002 0.000 1.075 178 Q CA 0.716 56.519 55.803 -0.001 0.000 0.988 178 Q CB -0.115 28.621 28.738 -0.003 0.000 1.146 178 Q HN 0.920 nan 8.270 nan 0.000 0.383 179 N N 0.533 119.232 118.700 -0.002 0.000 2.294 179 N HA 0.027 4.769 4.740 0.002 0.000 0.263 179 N C 0.936 176.444 175.510 -0.004 0.000 1.281 179 N CA 0.769 53.818 53.050 -0.002 0.000 0.846 179 N CB 0.172 38.657 38.487 -0.003 0.000 1.061 179 N HN 0.824 nan 8.380 nan 0.000 0.478 180 G N 1.503 110.301 108.800 -0.003 0.000 2.195 180 G HA2 -0.223 3.738 3.960 0.002 0.000 0.224 180 G HA3 -0.223 3.738 3.960 0.002 0.000 0.224 180 G C -0.262 174.636 174.900 -0.004 0.000 0.990 180 G CA -0.441 44.656 45.100 -0.005 0.000 0.639 180 G HN 0.581 nan 8.290 nan 0.000 0.514 181 D N 0.346 120.744 120.400 -0.002 0.000 2.399 181 D HA 0.300 4.942 4.640 0.002 0.000 0.241 181 D C 1.141 177.441 176.300 -0.000 0.000 1.133 181 D CA 0.217 54.216 54.000 -0.002 0.000 0.890 181 D CB 1.236 42.036 40.800 -0.000 0.000 1.201 181 D HN 0.362 nan 8.370 nan 0.000 0.432 182 C N 4.620 123.919 119.300 -0.002 0.000 2.592 182 C HA 0.130 4.592 4.460 0.002 0.000 0.408 182 C C -1.531 173.461 174.990 0.003 0.000 1.436 182 C CA -1.285 57.732 59.018 -0.002 0.000 1.595 182 C CB -0.784 26.952 27.740 -0.008 0.000 2.487 182 C HN 0.432 nan 8.230 nan 0.000 0.610 183 P HA 0.254 nan 4.420 nan 0.000 0.270 183 P C -2.718 174.594 177.300 0.019 0.000 1.223 183 P CA -0.813 62.296 63.100 0.016 0.000 0.785 183 P CB 0.080 31.793 31.700 0.022 0.000 0.923 184 P HA 0.208 nan 4.420 nan 0.000 0.293 184 P C -0.421 176.921 177.300 0.070 0.000 1.300 184 P CA -0.301 62.822 63.100 0.038 0.000 0.792 184 P CB 0.752 32.474 31.700 0.036 0.000 0.925 185 L N 3.057 124.333 121.223 0.088 0.000 2.349 185 L HA 0.352 4.694 4.340 0.002 0.000 0.275 185 L C 0.830 177.887 176.870 0.311 0.000 1.115 185 L CA 0.373 55.333 54.840 0.200 0.000 0.820 185 L CB 0.252 42.368 42.059 0.095 0.000 1.135 185 L HN 0.592 nan 8.230 nan 0.000 0.445 186 E N 2.707 123.108 120.200 0.334 0.000 2.275 186 E HA 0.259 4.610 4.350 0.002 0.000 0.270 186 E C -1.471 175.035 176.600 -0.157 0.000 0.882 186 E CA -0.889 55.586 56.400 0.124 0.000 0.758 186 E CB 2.283 31.996 29.700 0.022 0.000 1.195 186 E HN 0.354 nan 8.360 nan 0.000 0.419 187 L N 5.887 126.813 121.223 -0.494 0.000 2.363 187 L HA 0.314 4.656 4.340 0.002 0.000 0.286 187 L C -1.208 175.328 176.870 -0.557 0.000 1.106 187 L CA -0.018 54.262 54.840 -0.935 0.000 0.859 187 L CB 0.112 41.615 42.059 -0.927 0.000 1.223 187 L HN 0.493 nan 8.230 nan 0.000 0.446 188 I N 4.245 124.441 120.570 -0.623 0.000 2.365 188 I HA 0.301 4.473 4.170 0.002 0.000 0.291 188 I C 0.596 176.447 176.117 -0.445 0.000 1.004 188 I CA 0.296 61.293 61.300 -0.505 0.000 1.311 188 I CB 1.429 39.080 38.000 -0.582 0.000 1.401 188 I HN 0.522 nan 8.210 nan 0.000 0.491 189 T N 5.446 119.853 114.554 -0.246 0.000 2.829 189 T HA 0.722 5.074 4.350 0.002 0.000 0.282 189 T C -0.142 174.509 174.700 -0.083 0.000 0.990 189 T CA -0.582 61.424 62.100 -0.157 0.000 1.028 189 T CB 1.048 69.845 68.868 -0.119 0.000 0.951 189 T HN 0.751 nan 8.240 nan 0.000 0.460 190 S N 0.893 116.564 115.700 -0.048 0.000 2.656 190 S HA 0.607 5.079 4.470 0.002 0.000 0.273 190 S C -1.112 173.455 174.600 -0.056 0.000 1.168 190 S CA -0.900 57.288 58.200 -0.021 0.000 0.817 190 S CB 0.865 64.088 63.200 0.037 0.000 1.146 190 S HN 0.377 nan 8.310 nan 0.000 0.475 191 V N 2.132 122.010 119.914 -0.059 0.000 2.389 191 V HA 0.317 4.439 4.120 0.002 0.000 0.264 191 V C 0.057 176.065 176.094 -0.144 0.000 1.049 191 V CA -0.504 61.738 62.300 -0.096 0.000 0.932 191 V CB 0.235 32.004 31.823 -0.090 0.000 1.011 191 V HN 0.731 nan 8.190 nan 0.000 0.475 192 I N 6.000 126.453 120.570 -0.196 0.000 2.671 192 I HA 0.026 4.197 4.170 0.002 0.000 0.285 192 I C 0.721 176.704 176.117 -0.223 0.000 1.148 192 I CA 0.585 61.698 61.300 -0.313 0.000 1.386 192 I CB -0.003 37.691 38.000 -0.510 0.000 1.406 192 I HN 0.665 nan 8.210 nan 0.000 0.540 193 Q N 4.248 123.903 119.800 -0.242 0.000 2.215 193 Q HA 0.240 4.581 4.340 0.002 0.000 0.256 193 Q C -0.491 175.420 176.000 -0.149 0.000 0.972 193 Q CA -0.941 54.709 55.803 -0.254 0.000 0.889 193 Q CB 1.527 30.049 28.738 -0.361 0.000 1.281 193 Q HN 0.495 nan 8.270 nan 0.000 0.456 194 D N -0.556 119.773 120.400 -0.119 0.000 2.458 194 D HA 0.197 4.839 4.640 0.002 0.000 0.243 194 D C 0.718 177.005 176.300 -0.023 0.000 1.146 194 D CA 1.839 55.819 54.000 -0.034 0.000 0.877 194 D CB 0.242 41.029 40.800 -0.021 0.000 1.176 194 D HN 0.673 nan 8.370 nan 0.000 0.461 195 G N 2.665 111.499 108.800 0.057 0.000 2.157 195 G HA2 -0.238 3.723 3.960 0.002 0.000 0.248 195 G HA3 -0.238 3.723 3.960 0.002 0.000 0.248 195 G C 0.100 175.059 174.900 0.098 0.000 0.979 195 G CA 0.097 45.239 45.100 0.070 0.000 0.650 195 G HN 0.623 nan 8.290 nan 0.000 0.529 196 D N 0.271 120.746 120.400 0.124 0.000 2.358 196 D HA 0.598 5.240 4.640 0.002 0.000 0.244 196 D C 1.058 177.547 176.300 0.314 0.000 1.163 196 D CA -0.029 54.054 54.000 0.138 0.000 0.945 196 D CB 0.370 41.165 40.800 -0.008 0.000 1.152 196 D HN 0.010 nan 8.370 nan 0.000 0.451 197 M N 0.916 120.680 119.600 0.273 0.000 2.264 197 M HA 0.293 4.775 4.480 0.002 0.000 0.352 197 M C -0.404 176.118 176.300 0.371 0.000 1.173 197 M CA -0.825 54.650 55.300 0.292 0.000 1.075 197 M CB 1.370 34.101 32.600 0.218 0.000 1.621 197 M HN 0.018 nan 8.290 nan 0.000 0.457 198 V N 1.995 122.052 119.914 0.238 0.000 2.785 198 V HA 0.065 4.186 4.120 0.002 0.000 0.300 198 V C 0.145 176.353 176.094 0.190 0.000 1.062 198 V CA -0.698 61.700 62.300 0.163 0.000 1.029 198 V CB 1.579 33.379 31.823 -0.038 0.000 1.024 198 V HN 0.909 nan 8.190 nan 0.000 0.477 199 D N 2.040 122.580 120.400 0.232 0.000 2.493 199 D HA 0.011 4.653 4.640 0.002 0.000 0.240 199 D C 0.928 177.259 176.300 0.052 0.000 1.142 199 D CA 0.719 54.823 54.000 0.175 0.000 0.872 199 D CB 1.189 42.096 40.800 0.179 0.000 1.173 199 D HN 0.736 nan 8.370 nan 0.000 0.467 200 T N 0.152 114.652 114.554 -0.090 0.000 3.044 200 T HA 0.434 4.786 4.350 0.002 0.000 0.260 200 T C 1.331 175.851 174.700 -0.299 0.000 1.019 200 T CA 0.226 62.100 62.100 -0.376 0.000 0.921 200 T CB 0.305 68.394 68.868 -1.297 0.000 1.053 200 T HN 0.851 nan 8.240 nan 0.000 0.533 201 G N 0.818 109.505 108.800 -0.189 0.000 2.485 201 G HA2 -0.078 3.884 3.960 0.002 0.000 0.181 201 G HA3 -0.078 3.884 3.960 0.002 0.000 0.181 201 G C 0.203 174.840 174.900 -0.439 0.000 0.999 201 G CA -0.289 44.622 45.100 -0.316 0.000 0.721 201 G HN 0.441 nan 8.290 nan 0.000 0.486 202 F N 2.197 122.146 119.950 -0.002 0.000 2.647 202 F HA 0.522 5.050 4.527 0.001 0.000 0.300 202 F C 1.556 177.508 175.800 0.254 0.000 1.106 202 F CA 0.579 58.647 58.000 0.113 0.000 1.313 202 F CB 0.839 39.871 39.000 0.053 0.000 1.007 202 F HN 0.712 nan 8.300 nan 0.000 0.536 203 G N 0.932 109.886 108.800 0.257 0.000 2.795 203 G HA2 0.091 4.053 3.960 0.002 0.000 0.664 203 G HA3 0.091 4.053 3.960 0.002 0.000 0.664 203 G C -0.519 174.527 174.900 0.244 0.000 1.381 203 G CA -0.724 44.498 45.100 0.205 0.000 0.853 203 G HN 0.621 nan 8.290 nan 0.000 0.545 204 A N 0.836 123.776 122.820 0.201 0.000 2.478 204 A HA 0.794 5.116 4.320 0.002 0.000 0.327 204 A C 0.516 178.215 177.584 0.192 0.000 1.431 204 A CA 0.900 53.066 52.037 0.215 0.000 1.014 204 A CB -0.568 18.585 19.000 0.256 0.000 1.143 204 A HN 1.954 nan 8.150 nan 0.000 0.532 205 M N 0.320 119.870 119.600 -0.084 0.000 2.721 205 M HA 0.418 4.900 4.480 0.002 0.000 0.271 205 M C -0.809 175.226 176.300 -0.441 0.000 1.259 205 M CA -0.708 54.490 55.300 -0.171 0.000 0.835 205 M CB 1.750 34.186 32.600 -0.274 0.000 1.689 205 M HN 0.377 nan 8.290 nan 0.000 0.470 206 N N 0.201 118.780 118.700 -0.201 0.000 2.918 206 N HA 0.347 5.089 4.740 0.002 0.000 0.247 206 N C -0.400 175.017 175.510 -0.154 0.000 1.117 206 N CA -0.422 52.541 53.050 -0.145 0.000 1.005 206 N CB 0.212 38.714 38.487 0.025 0.000 1.297 206 N HN 0.586 nan 8.380 nan 0.000 0.513 207 F N 1.938 121.924 119.950 0.061 0.000 2.154 207 F HA -0.223 4.306 4.527 0.003 0.000 0.301 207 F C 2.536 178.354 175.800 0.030 0.000 1.087 207 F CA 1.081 59.104 58.000 0.038 0.000 1.274 207 F CB -0.288 38.718 39.000 0.011 0.000 1.009 207 F HN 0.538 nan 8.300 nan 0.000 0.485 208 A N -0.016 122.915 122.820 0.185 0.000 1.917 208 A HA -0.220 4.101 4.320 0.002 0.000 0.219 208 A C 1.938 179.569 177.584 0.079 0.000 1.182 208 A CA 2.325 54.429 52.037 0.113 0.000 0.633 208 A CB -0.678 18.370 19.000 0.079 0.000 0.819 208 A HN 0.342 nan 8.150 nan 0.000 0.448 209 D N -0.918 119.520 120.400 0.064 0.000 2.301 209 D HA 0.040 4.681 4.640 0.002 0.000 0.206 209 D C 1.440 177.770 176.300 0.050 0.000 0.979 209 D CA 0.411 54.442 54.000 0.050 0.000 0.874 209 D CB 0.065 40.893 40.800 0.046 0.000 0.968 209 D HN 0.258 nan 8.370 nan 0.000 0.510 210 L N 0.425 121.679 121.223 0.052 0.000 2.529 210 L HA 0.151 4.493 4.340 0.002 0.000 0.223 210 L C 0.308 177.221 176.870 0.071 0.000 1.113 210 L CA 0.877 55.746 54.840 0.049 0.000 0.861 210 L CB -0.233 41.842 42.059 0.026 0.000 1.012 210 L HN -0.072 nan 8.230 nan 0.000 0.461 211 Q N -0.613 119.247 119.800 0.100 0.000 2.674 211 Q HA 0.211 4.552 4.340 0.002 0.000 0.249 211 Q C 0.795 176.835 176.000 0.067 0.000 1.011 211 Q CA -0.175 55.685 55.803 0.097 0.000 0.734 211 Q CB 1.097 29.926 28.738 0.152 0.000 1.201 211 Q HN 0.064 nan 8.270 nan 0.000 0.498 212 T N 0.931 115.510 114.554 0.042 0.000 2.737 212 T HA -0.194 4.157 4.350 0.002 0.000 0.269 212 T C 1.487 176.198 174.700 0.019 0.000 1.040 212 T CA 2.137 64.253 62.100 0.028 0.000 1.142 212 T CB -0.144 68.734 68.868 0.017 0.000 0.861 212 T HN 0.655 nan 8.240 nan 0.000 0.456 213 N N 1.368 120.074 118.700 0.010 0.000 2.609 213 N HA -0.082 4.660 4.740 0.002 0.000 0.190 213 N C 0.505 176.015 175.510 0.001 0.000 1.157 213 N CA 0.509 53.556 53.050 -0.006 0.000 0.918 213 N CB -0.601 37.870 38.487 -0.026 0.000 0.978 213 N HN 0.362 nan 8.380 nan 0.000 0.448 214 K N -1.767 118.647 120.400 0.024 0.000 3.104 214 K HA -0.174 4.147 4.320 0.002 0.000 0.285 214 K C -0.500 176.142 176.600 0.070 0.000 1.136 214 K CA 1.065 57.383 56.287 0.051 0.000 0.842 214 K CB -1.929 30.603 32.500 0.053 0.000 1.217 214 K HN 0.365 nan 8.250 nan 0.000 0.467 215 S N -0.518 115.163 115.700 -0.032 0.000 3.031 215 S HA 0.099 4.570 4.470 0.002 0.000 0.253 215 S C -0.023 174.432 174.600 -0.241 0.000 0.996 215 S CA -0.519 57.556 58.200 -0.208 0.000 1.098 215 S CB 0.672 63.700 63.200 -0.285 0.000 1.042 215 S HN 0.172 nan 8.310 nan 0.000 0.593 216 D N 1.975 122.290 120.400 -0.142 0.000 2.354 216 D HA 0.144 4.785 4.640 0.002 0.000 0.209 216 D C 0.625 176.745 176.300 -0.300 0.000 1.015 216 D CA 0.625 54.533 54.000 -0.154 0.000 0.867 216 D CB 0.876 41.639 40.800 -0.062 0.000 0.933 216 D HN 0.440 nan 8.370 nan 0.000 0.520 217 V N -4.167 115.533 119.914 -0.357 0.000 3.178 217 V HA 0.545 4.666 4.120 0.002 0.000 0.302 217 V C -2.926 172.995 176.094 -0.288 0.000 1.262 217 V CA -2.530 59.398 62.300 -0.620 0.000 1.030 217 V CB 1.775 32.913 31.823 -1.142 0.000 1.074 217 V HN -0.350 nan 8.190 nan 0.000 0.438 218 P HA 0.007 nan 4.420 nan 0.000 0.269 218 P C 1.020 178.219 177.300 -0.169 0.000 1.185 218 P CA 0.104 63.119 63.100 -0.143 0.000 0.769 218 P CB 0.314 31.957 31.700 -0.094 0.000 0.809 219 L N 2.507 123.553 121.223 -0.294 0.000 2.043 219 L HA -0.197 4.144 4.340 0.002 0.000 0.212 219 L C 1.776 178.626 176.870 -0.033 0.000 1.075 219 L CA 2.308 57.012 54.840 -0.228 0.000 0.752 219 L CB -1.814 40.109 42.059 -0.226 0.000 0.891 219 L HN 0.515 nan 8.230 nan 0.000 0.432 220 D N -0.425 119.974 120.400 -0.002 0.000 2.384 220 D HA -0.187 4.454 4.640 0.002 0.000 0.222 220 D C 1.627 178.002 176.300 0.126 0.000 0.976 220 D CA 1.114 55.209 54.000 0.159 0.000 0.915 220 D CB -0.341 40.631 40.800 0.287 0.000 0.896 220 D HN 0.651 nan 8.370 nan 0.000 0.523 221 I N -3.160 117.427 120.570 0.029 0.000 4.779 221 I HA 0.214 4.385 4.170 0.002 0.000 0.339 221 I C 1.650 177.749 176.117 -0.031 0.000 1.293 221 I CA -0.356 60.950 61.300 0.010 0.000 1.324 221 I CB 0.042 37.987 38.000 -0.092 0.000 1.424 221 I HN 0.055 nan 8.210 nan 0.000 0.489 222 C N 1.214 120.457 119.300 -0.095 0.000 2.443 222 C HA 0.335 4.797 4.460 0.002 0.000 0.290 222 C C 1.847 176.883 174.990 0.077 0.000 1.476 222 C CA 0.574 59.563 59.018 -0.049 0.000 1.772 222 C CB -1.950 25.771 27.740 -0.031 0.000 1.714 222 C HN 0.670 nan 8.230 nan 0.000 0.562 223 G N -0.083 108.770 108.800 0.087 0.000 3.839 223 G HA2 0.468 4.429 3.960 0.002 0.000 0.286 223 G HA3 0.468 4.429 3.960 0.002 0.000 0.286 223 G C 0.239 175.196 174.900 0.097 0.000 1.005 223 G CA 0.798 45.950 45.100 0.088 0.000 0.824 223 G HN 0.710 nan 8.290 nan 0.000 0.489 224 T N -3.079 111.557 114.554 0.138 0.000 2.587 224 T HA 0.667 5.019 4.350 0.002 0.000 0.282 224 T C -1.034 173.742 174.700 0.127 0.000 1.018 224 T CA -0.642 61.521 62.100 0.106 0.000 1.120 224 T CB 2.021 70.947 68.868 0.097 0.000 1.538 224 T HN 0.071 nan 8.240 nan 0.000 0.480 225 V N -0.001 119.938 119.914 0.041 0.000 2.715 225 V HA 0.570 4.692 4.120 0.002 0.000 0.310 225 V C -0.498 175.618 176.094 0.036 0.000 1.054 225 V CA -0.820 61.446 62.300 -0.056 0.000 0.928 225 V CB 1.668 33.286 31.823 -0.342 0.000 1.007 225 V HN 1.150 nan 8.190 nan 0.000 0.437 226 C N 4.410 123.756 119.300 0.077 0.000 2.281 226 C HA 0.527 4.988 4.460 0.002 0.000 0.323 226 C C 0.357 175.443 174.990 0.160 0.000 1.270 226 C CA -1.013 58.123 59.018 0.196 0.000 1.559 226 C CB -0.052 27.894 27.740 0.344 0.000 2.239 226 C HN 0.851 nan 8.230 nan 0.000 0.488 227 K N 2.079 122.601 120.400 0.203 0.000 2.123 227 K HA 0.550 4.871 4.320 0.002 0.000 0.248 227 K C -1.291 175.527 176.600 0.364 0.000 0.969 227 K CA -0.546 55.865 56.287 0.206 0.000 0.882 227 K CB 1.788 34.304 32.500 0.027 0.000 1.080 227 K HN 0.601 nan 8.250 nan 0.000 0.441 228 Y N 1.540 121.918 120.300 0.130 0.000 2.391 228 Y HA 0.303 4.854 4.550 0.003 0.000 0.341 228 Y C -2.634 173.257 175.900 -0.015 0.000 0.965 228 Y CA -2.672 55.504 58.100 0.126 0.000 1.067 228 Y CB 1.658 40.195 38.460 0.128 0.000 1.199 228 Y HN 0.403 nan 8.280 nan 0.000 0.450 229 P HA -0.055 nan 4.420 nan 0.000 0.262 229 P C -0.609 176.235 177.300 -0.759 0.000 1.182 229 P CA 0.556 63.151 63.100 -0.840 0.000 0.761 229 P CB 0.482 31.327 31.700 -1.425 0.000 0.795 230 D N 2.845 122.975 120.400 -0.450 0.000 2.845 230 D HA 0.039 4.681 4.640 0.002 0.000 0.235 230 D C 0.724 176.899 176.300 -0.209 0.000 1.158 230 D CA -0.178 53.685 54.000 -0.227 0.000 0.990 230 D CB -0.556 40.159 40.800 -0.142 0.000 1.094 230 D HN 0.299 nan 8.370 nan 0.000 0.486 231 Y N 0.556 120.739 120.300 -0.194 0.000 2.040 231 Y HA -0.297 4.254 4.550 0.002 0.000 0.275 231 Y C 2.390 178.220 175.900 -0.116 0.000 1.171 231 Y CA 1.105 59.071 58.100 -0.224 0.000 1.123 231 Y CB -0.306 37.968 38.460 -0.309 0.000 0.963 231 Y HN 0.223 nan 8.280 nan 0.000 0.493 232 L N -0.192 121.105 121.223 0.123 0.000 2.043 232 L HA -0.327 4.015 4.340 0.002 0.000 0.212 232 L C 2.621 179.517 176.870 0.044 0.000 1.075 232 L CA 2.048 56.934 54.840 0.075 0.000 0.752 232 L CB -0.679 41.425 42.059 0.074 0.000 0.891 232 L HN 0.353 nan 8.230 nan 0.000 0.432 233 Q N 0.027 119.837 119.800 0.017 0.000 2.083 233 Q HA -0.180 4.161 4.340 0.002 0.000 0.198 233 Q C 2.295 178.301 176.000 0.010 0.000 0.969 233 Q CA 1.423 57.228 55.803 0.003 0.000 0.838 233 Q CB -0.057 28.667 28.738 -0.024 0.000 0.900 233 Q HN 0.435 nan 8.270 nan 0.000 0.436 234 M N -0.031 119.566 119.600 -0.006 0.000 2.132 234 M HA -0.067 4.415 4.480 0.002 0.000 0.263 234 M C 2.354 178.686 176.300 0.053 0.000 1.065 234 M CA 1.333 56.638 55.300 0.008 0.000 1.122 234 M CB -0.363 32.217 32.600 -0.035 0.000 1.365 234 M HN 0.410 nan 8.290 nan 0.000 0.411 235 A N 0.504 123.362 122.820 0.064 0.000 1.978 235 A HA -0.040 4.281 4.320 0.002 0.000 0.220 235 A C 2.169 179.802 177.584 0.081 0.000 1.170 235 A CA 1.883 53.975 52.037 0.091 0.000 0.636 235 A CB -0.720 18.337 19.000 0.095 0.000 0.810 235 A HN 0.525 nan 8.150 nan 0.000 0.448 236 A N -0.738 122.121 122.820 0.064 0.000 2.251 236 A HA 0.244 4.565 4.320 0.002 0.000 0.209 236 A C 0.375 177.997 177.584 0.063 0.000 1.187 236 A CA 0.151 52.223 52.037 0.058 0.000 0.823 236 A CB -0.526 18.500 19.000 0.043 0.000 0.846 236 A HN 0.434 nan 8.150 nan 0.000 0.486 237 D N 1.418 121.865 120.400 0.080 0.000 2.520 237 D HA 0.064 4.706 4.640 0.002 0.000 0.243 237 D C -0.659 175.707 176.300 0.110 0.000 1.160 237 D CA -0.734 53.327 54.000 0.102 0.000 0.877 237 D CB 1.045 41.923 40.800 0.131 0.000 1.150 237 D HN 0.182 nan 8.370 nan 0.000 0.494 238 P HA -0.223 nan 4.420 nan 0.000 0.216 238 P C 0.642 177.915 177.300 -0.045 0.000 1.150 238 P CA 1.592 64.663 63.100 -0.049 0.000 0.843 238 P CB 0.073 31.660 31.700 -0.188 0.000 0.787 239 Y N -0.936 119.474 120.300 0.184 0.000 2.396 239 Y HA 0.355 4.907 4.550 0.002 0.000 0.292 239 Y C 1.821 177.902 175.900 0.302 0.000 1.128 239 Y CA 0.789 59.043 58.100 0.257 0.000 1.194 239 Y CB -0.366 38.206 38.460 0.185 0.000 1.124 239 Y HN 0.031 nan 8.280 nan 0.000 0.543 240 G N 0.787 109.819 108.800 0.387 0.000 2.255 240 G HA2 -0.207 3.754 3.960 0.002 0.000 0.239 240 G HA3 -0.207 3.754 3.960 0.002 0.000 0.239 240 G C -0.019 175.078 174.900 0.328 0.000 1.083 240 G CA 0.343 45.632 45.100 0.314 0.000 0.826 240 G HN 0.331 nan 8.290 nan 0.000 0.493 241 D N -0.539 120.026 120.400 0.276 0.000 2.346 241 D HA 0.055 4.696 4.640 0.002 0.000 0.206 241 D C 2.462 178.776 176.300 0.025 0.000 1.001 241 D CA -0.014 54.120 54.000 0.224 0.000 0.871 241 D CB 0.101 41.046 40.800 0.242 0.000 0.943 241 D HN 0.317 nan 8.370 nan 0.000 0.518 242 R N 0.617 121.135 120.500 0.031 0.000 2.070 242 R HA 0.013 4.354 4.340 0.002 0.000 0.233 242 R C 1.144 177.365 176.300 -0.131 0.000 1.137 242 R CA 0.670 56.746 56.100 -0.039 0.000 0.945 242 R CB -0.462 29.835 30.300 -0.004 0.000 0.845 242 R HN 0.282 nan 8.270 nan 0.000 0.430 243 L N -2.728 118.433 121.223 -0.103 0.000 2.614 243 L HA 0.377 4.719 4.340 0.002 0.000 0.264 243 L C -0.764 176.146 176.870 0.067 0.000 0.940 243 L CA -0.832 53.937 54.840 -0.117 0.000 0.903 243 L CB 1.487 43.563 42.059 0.029 0.000 1.306 243 L HN -0.066 nan 8.230 nan 0.000 0.410 244 F N 2.046 122.148 119.950 0.254 0.000 2.647 244 F HA 0.680 5.208 4.527 0.003 0.000 0.300 244 F C -0.479 175.530 175.800 0.348 0.000 1.106 244 F CA -1.449 56.705 58.000 0.256 0.000 1.313 244 F CB -0.190 38.938 39.000 0.212 0.000 1.007 244 F HN 0.395 nan 8.300 nan 0.000 0.536 245 F N 1.312 121.475 119.950 0.355 0.000 2.725 245 F HA 0.527 5.056 4.527 0.003 0.000 0.311 245 F C -2.094 173.842 175.800 0.227 0.000 1.121 245 F CA -1.760 56.371 58.000 0.218 0.000 0.978 245 F CB 1.180 40.327 39.000 0.245 0.000 1.274 245 F HN 0.079 nan 8.300 nan 0.000 0.440 246 Y N 4.461 124.443 120.300 -0.530 0.000 2.457 246 Y HA 0.700 5.251 4.550 0.002 0.000 0.322 246 Y C -2.611 172.985 175.900 -0.507 0.000 1.218 246 Y CA -1.873 56.034 58.100 -0.322 0.000 1.116 246 Y CB 0.760 39.213 38.460 -0.011 0.000 1.335 246 Y HN 0.620 nan 8.280 nan 0.000 0.452 247 L N 5.493 126.578 121.223 -0.231 0.000 2.406 247 L HA 0.737 5.079 4.340 0.002 0.000 0.272 247 L C -0.807 176.057 176.870 -0.011 0.000 0.980 247 L CA -1.024 53.645 54.840 -0.286 0.000 0.831 247 L CB 2.248 44.032 42.059 -0.457 0.000 1.253 247 L HN 0.874 nan 8.230 nan 0.000 0.406 248 R N 1.822 122.348 120.500 0.044 0.000 2.670 248 R HA 0.805 5.147 4.340 0.002 0.000 0.289 248 R C -1.129 175.191 176.300 0.032 0.000 0.965 248 R CA -1.029 55.127 56.100 0.093 0.000 0.899 248 R CB 2.361 32.740 30.300 0.132 0.000 1.173 248 R HN 0.384 nan 8.270 nan 0.000 0.456 249 K N 1.925 122.358 120.400 0.055 0.000 2.731 249 K HA 0.131 4.452 4.320 0.002 0.000 0.257 249 K C -1.615 175.035 176.600 0.084 0.000 1.032 249 K CA -0.407 55.905 56.287 0.042 0.000 0.983 249 K CB 1.483 33.983 32.500 0.001 0.000 1.248 249 K HN 0.860 nan 8.250 nan 0.000 0.484 250 E N 3.520 123.779 120.200 0.099 0.000 2.266 250 E HA 0.367 4.719 4.350 0.002 0.000 0.268 250 E C -1.164 175.494 176.600 0.096 0.000 0.879 250 E CA -1.039 55.432 56.400 0.118 0.000 0.762 250 E CB 2.332 32.127 29.700 0.159 0.000 1.199 250 E HN 0.473 nan 8.360 nan 0.000 0.422 251 Q N 3.060 122.921 119.800 0.102 0.000 2.418 251 Q HA 0.679 5.021 4.340 0.002 0.000 0.282 251 Q C -1.142 174.924 176.000 0.112 0.000 1.044 251 Q CA -1.103 54.759 55.803 0.097 0.000 0.813 251 Q CB 2.795 31.590 28.738 0.094 0.000 1.428 251 Q HN 0.682 nan 8.270 nan 0.000 0.402 252 M N 2.129 121.803 119.600 0.122 0.000 2.724 252 M HA 0.549 5.031 4.480 0.002 0.000 0.280 252 M C -2.209 174.200 176.300 0.182 0.000 1.090 252 M CA -0.588 54.781 55.300 0.116 0.000 0.838 252 M CB 2.071 34.695 32.600 0.040 0.000 1.729 252 M HN 0.900 nan 8.290 nan 0.000 0.530 253 F N 1.376 121.321 119.950 -0.008 0.000 2.650 253 F HA 0.970 5.497 4.527 0.001 0.000 0.320 253 F C -1.120 174.655 175.800 -0.041 0.000 1.091 253 F CA -0.787 57.196 58.000 -0.028 0.000 0.962 253 F CB 1.294 40.274 39.000 -0.033 0.000 1.363 253 F HN 0.663 nan 8.300 nan 0.000 0.482 254 A N 2.446 125.282 122.820 0.026 0.000 2.343 254 A HA 0.501 4.823 4.320 0.002 0.000 0.305 254 A C 0.932 178.320 177.584 -0.328 0.000 1.308 254 A CA -0.465 51.468 52.037 -0.175 0.000 0.949 254 A CB 0.434 19.339 19.000 -0.159 0.000 1.148 254 A HN 0.921 nan 8.150 nan 0.000 0.545 255 R N 1.824 121.974 120.500 -0.585 0.000 2.052 255 R HA 0.077 4.418 4.340 0.002 0.000 0.226 255 R C -0.024 175.813 176.300 -0.773 0.000 1.145 255 R CA 1.679 57.455 56.100 -0.540 0.000 0.952 255 R CB -0.206 29.807 30.300 -0.478 0.000 0.847 255 R HN 0.862 nan 8.270 nan 0.000 0.431 256 H N -2.686 115.992 119.070 -0.653 0.000 2.834 256 H HA 0.422 4.979 4.556 0.002 0.000 0.369 256 H C -1.329 173.351 175.328 -1.080 0.000 1.174 256 H CA -0.709 54.899 56.048 -0.733 0.000 1.165 256 H CB 1.619 31.023 29.762 -0.597 0.000 1.820 256 H HN -0.048 nan 8.280 nan 0.000 0.558 257 F N 1.868 121.716 119.950 -0.170 0.000 2.449 257 F HA 0.406 4.933 4.527 0.000 0.000 0.342 257 F C -0.632 175.253 175.800 0.142 0.000 1.127 257 F CA -0.483 57.467 58.000 -0.084 0.000 0.975 257 F CB 0.882 39.879 39.000 -0.005 0.000 1.146 257 F HN 0.273 nan 8.300 nan 0.000 0.444 258 F N 1.215 121.347 119.950 0.304 0.000 2.572 258 F HA 0.432 4.960 4.527 0.002 0.000 0.342 258 F C -0.115 175.860 175.800 0.293 0.000 1.064 258 F CA -1.203 56.936 58.000 0.230 0.000 1.008 258 F CB 1.967 41.057 39.000 0.151 0.000 1.303 258 F HN 0.385 nan 8.300 nan 0.000 0.492 259 N N 0.606 119.572 118.700 0.443 0.000 2.295 259 N HA 0.280 5.022 4.740 0.002 0.000 0.293 259 N C -1.129 174.512 175.510 0.218 0.000 1.040 259 N CA -0.804 52.434 53.050 0.314 0.000 0.840 259 N CB 1.342 40.008 38.487 0.298 0.000 1.468 259 N HN 0.469 nan 8.380 nan 0.000 0.478 260 R N 1.202 121.782 120.500 0.133 0.000 2.577 260 R HA 0.490 4.832 4.340 0.002 0.000 0.269 260 R C -0.382 175.927 176.300 0.014 0.000 1.084 260 R CA -0.385 55.758 56.100 0.072 0.000 1.163 260 R CB 0.959 31.281 30.300 0.037 0.000 1.100 260 R HN 0.562 nan 8.270 nan 0.000 0.547 261 A N -0.193 122.602 122.820 -0.041 0.000 2.337 261 A HA 0.760 5.081 4.320 0.002 0.000 0.329 261 A C -0.088 177.419 177.584 -0.129 0.000 1.146 261 A CA 0.044 51.983 52.037 -0.164 0.000 0.800 261 A CB 1.576 20.474 19.000 -0.170 0.000 1.220 261 A HN 0.800 nan 8.150 nan 0.000 0.472 262 G N 0.085 108.792 108.800 -0.155 0.000 2.375 262 G HA2 0.477 4.439 3.960 0.002 0.000 0.663 262 G HA3 0.477 4.439 3.960 0.002 0.000 0.663 262 G C -0.234 174.607 174.900 -0.098 0.000 1.391 262 G CA -0.169 44.868 45.100 -0.106 0.000 0.949 262 G HN 2.011 nan 8.290 nan 0.000 0.646 263 T N -1.631 112.877 114.554 -0.076 0.000 2.940 263 T HA 0.421 4.772 4.350 0.002 0.000 0.309 263 T C 0.660 175.326 174.700 -0.055 0.000 1.056 263 T CA 0.011 62.073 62.100 -0.064 0.000 1.137 263 T CB 1.356 70.195 68.868 -0.048 0.000 0.976 263 T HN 1.437 nan 8.240 nan 0.000 0.547 264 V N 4.977 124.859 119.914 -0.054 0.000 2.326 264 V HA 0.276 4.397 4.120 0.002 0.000 0.249 264 V C 1.984 178.057 176.094 -0.035 0.000 1.114 264 V CA 0.270 62.541 62.300 -0.049 0.000 1.028 264 V CB -0.376 31.416 31.823 -0.052 0.000 1.170 264 V HN 1.226 nan 8.190 nan 0.000 0.494 265 G N 4.601 113.383 108.800 -0.030 0.000 2.596 265 G HA2 -0.221 3.741 3.960 0.002 0.000 0.223 265 G HA3 -0.221 3.741 3.960 0.002 0.000 0.223 265 G C 0.596 175.485 174.900 -0.019 0.000 1.120 265 G CA 0.634 45.721 45.100 -0.022 0.000 0.752 265 G HN 0.705 nan 8.290 nan 0.000 0.596 266 E N 0.693 120.880 120.200 -0.021 0.000 2.675 266 E HA 0.280 4.631 4.350 0.002 0.000 0.236 266 E C -2.499 174.091 176.600 -0.017 0.000 1.059 266 E CA -1.651 54.739 56.400 -0.016 0.000 0.775 266 E CB 1.816 31.508 29.700 -0.014 0.000 1.356 266 E HN 0.161 nan 8.360 nan 0.000 0.403 267 P HA -0.079 nan 4.420 nan 0.000 0.270 267 P C -0.388 176.909 177.300 -0.004 0.000 1.221 267 P CA -0.291 62.803 63.100 -0.011 0.000 0.788 267 P CB 0.539 32.235 31.700 -0.007 0.000 0.904 268 V N 3.346 123.261 119.914 0.002 0.000 2.572 268 V HA 0.100 4.221 4.120 0.002 0.000 0.291 268 V C -1.772 174.328 176.094 0.011 0.000 1.039 268 V CA -1.004 61.302 62.300 0.011 0.000 1.055 268 V CB -0.152 31.685 31.823 0.024 0.000 0.969 268 V HN 0.607 nan 8.190 nan 0.000 0.482 269 P HA 0.089 nan 4.420 nan 0.000 0.267 269 P C 0.577 177.882 177.300 0.009 0.000 1.200 269 P CA -0.153 62.951 63.100 0.008 0.000 0.772 269 P CB 0.520 32.225 31.700 0.007 0.000 0.855 270 D N 1.582 121.986 120.400 0.007 0.000 2.104 270 D HA -0.182 4.459 4.640 0.002 0.000 0.194 270 D C 1.222 177.526 176.300 0.006 0.000 0.994 270 D CA 1.448 55.452 54.000 0.006 0.000 0.830 270 D CB -0.395 40.407 40.800 0.004 0.000 0.959 270 D HN 0.598 nan 8.370 nan 0.000 0.452 271 D N 0.799 121.202 120.400 0.006 0.000 2.315 271 D HA -0.173 4.469 4.640 0.002 0.000 0.211 271 D C 2.018 178.322 176.300 0.007 0.000 0.977 271 D CA 0.465 54.468 54.000 0.005 0.000 0.894 271 D CB -0.349 40.454 40.800 0.004 0.000 0.910 271 D HN 0.299 nan 8.370 nan 0.000 0.490 272 L N 0.107 121.336 121.223 0.010 0.000 2.567 272 L HA 0.246 4.587 4.340 0.002 0.000 0.225 272 L C 0.844 177.723 176.870 0.015 0.000 1.119 272 L CA -0.018 54.830 54.840 0.013 0.000 0.871 272 L CB 0.184 42.254 42.059 0.018 0.000 1.036 272 L HN 0.153 nan 8.230 nan 0.000 0.459 273 L N -3.984 117.247 121.223 0.013 0.000 2.479 273 L HA 0.583 4.925 4.340 0.002 0.000 0.255 273 L C -1.022 175.851 176.870 0.005 0.000 1.026 273 L CA -0.887 53.960 54.840 0.012 0.000 0.842 273 L CB 2.244 44.316 42.059 0.021 0.000 1.444 273 L HN -0.470 nan 8.230 nan 0.000 0.409 274 V N 2.662 122.576 119.914 0.000 0.000 2.288 274 V HA 0.280 4.402 4.120 0.002 0.000 0.266 274 V C 0.249 176.335 176.094 -0.013 0.000 1.048 274 V CA -0.781 61.516 62.300 -0.007 0.000 0.842 274 V CB 0.601 32.418 31.823 -0.010 0.000 1.064 274 V HN 0.660 nan 8.190 nan 0.000 0.472 275 K N 3.146 123.540 120.400 -0.010 0.000 2.586 275 K HA 0.036 4.358 4.320 0.002 0.000 0.280 275 K C 0.634 177.216 176.600 -0.030 0.000 0.972 275 K CA 0.462 56.740 56.287 -0.015 0.000 1.040 275 K CB 0.473 32.967 32.500 -0.009 0.000 0.870 275 K HN 0.796 nan 8.250 nan 0.000 0.497 276 G N 0.519 109.291 108.800 -0.047 0.000 2.471 276 G HA2 0.594 4.555 3.960 0.002 0.000 0.332 276 G HA3 0.594 4.555 3.960 0.002 0.000 0.332 276 G C -0.223 174.643 174.900 -0.056 0.000 1.176 276 G CA -0.526 44.533 45.100 -0.068 0.000 0.949 276 G HN 0.546 nan 8.290 nan 0.000 0.488 277 G N -0.613 108.155 108.800 -0.053 0.000 2.521 277 G HA2 0.539 4.500 3.960 0.002 0.000 0.323 277 G HA3 0.539 4.500 3.960 0.002 0.000 0.323 277 G C 0.018 174.895 174.900 -0.039 0.000 1.211 277 G CA -0.215 44.864 45.100 -0.036 0.000 0.979 277 G HN 0.894 nan 8.290 nan 0.000 0.490 278 N N -0.608 118.080 118.700 -0.020 0.000 1.870 278 N HA -0.284 4.457 4.740 0.002 0.000 0.135 278 N C 1.392 176.900 175.510 -0.003 0.000 0.856 278 N CA 1.272 54.316 53.050 -0.010 0.000 0.877 278 N CB -0.832 37.645 38.487 -0.017 0.000 0.915 278 N HN 0.692 nan 8.380 nan 0.000 0.658 279 N N 1.374 120.083 118.700 0.014 0.000 2.069 279 N HA -0.217 4.525 4.740 0.002 0.000 0.196 279 N C 1.203 176.742 175.510 0.048 0.000 1.024 279 N CA 2.274 55.362 53.050 0.064 0.000 0.869 279 N CB -0.382 38.170 38.487 0.108 0.000 1.035 279 N HN 0.441 nan 8.380 nan 0.000 0.434 280 R N 0.572 120.993 120.500 -0.132 0.000 2.200 280 R HA -0.043 4.298 4.340 0.002 0.000 0.234 280 R C 2.104 178.334 176.300 -0.117 0.000 1.127 280 R CA 1.170 57.057 56.100 -0.355 0.000 0.989 280 R CB -1.331 28.717 30.300 -0.420 0.000 0.869 280 R HN 0.687 nan 8.270 nan 0.000 0.459 281 S N -0.035 115.642 115.700 -0.038 0.000 2.462 281 S HA -0.064 4.408 4.470 0.002 0.000 0.243 281 S C 0.846 175.468 174.600 0.036 0.000 1.003 281 S CA 0.670 58.868 58.200 -0.004 0.000 0.970 281 S CB -0.036 63.166 63.200 0.003 0.000 0.762 281 S HN 0.040 nan 8.310 nan 0.000 0.510 282 S N 2.027 117.780 115.700 0.088 0.000 2.488 282 S HA 0.480 4.952 4.470 0.002 0.000 0.310 282 S C -0.275 174.442 174.600 0.195 0.000 1.093 282 S CA -0.713 57.555 58.200 0.113 0.000 1.129 282 S CB 1.245 64.507 63.200 0.104 0.000 0.989 282 S HN 0.297 nan 8.310 nan 0.000 0.479 283 V N 3.496 123.496 119.914 0.143 0.000 2.617 283 V HA 0.125 4.246 4.120 0.002 0.000 0.304 283 V C 1.036 177.223 176.094 0.155 0.000 1.040 283 V CA -0.030 62.379 62.300 0.181 0.000 1.149 283 V CB -0.137 31.746 31.823 0.101 0.000 0.914 283 V HN 0.905 nan 8.190 nan 0.000 0.487 284 A N 4.444 127.376 122.820 0.188 0.000 2.280 284 A HA 0.436 4.757 4.320 0.002 0.000 0.268 284 A C 0.764 178.353 177.584 0.007 0.000 1.111 284 A CA -0.068 51.994 52.037 0.042 0.000 0.814 284 A CB 0.253 19.220 19.000 -0.056 0.000 1.093 284 A HN 0.843 nan 8.150 nan 0.000 0.498 285 S N -0.241 115.439 115.700 -0.033 0.000 2.498 285 S HA 0.226 4.697 4.470 0.002 0.000 0.281 285 S C 0.930 175.394 174.600 -0.226 0.000 1.265 285 S CA 0.055 58.195 58.200 -0.100 0.000 1.071 285 S CB -0.220 62.925 63.200 -0.090 0.000 0.894 285 S HN 0.873 nan 8.310 nan 0.000 0.491 286 S N 4.914 120.431 115.700 -0.305 0.000 2.622 286 S HA 0.315 4.787 4.470 0.002 0.000 0.236 286 S C 0.265 174.371 174.600 -0.822 0.000 0.956 286 S CA -0.426 57.398 58.200 -0.627 0.000 0.971 286 S CB -0.407 62.666 63.200 -0.212 0.000 0.782 286 S HN 0.733 nan 8.310 nan 0.000 0.468 287 I N 2.911 123.146 120.570 -0.558 0.000 2.257 287 I HA 0.273 4.444 4.170 0.002 0.000 0.290 287 I C -0.630 175.376 176.117 -0.186 0.000 1.137 287 I CA -0.656 60.473 61.300 -0.285 0.000 1.255 287 I CB -0.140 37.790 38.000 -0.117 0.000 1.485 287 I HN 0.262 nan 8.210 nan 0.000 0.534 288 Y N 4.071 124.445 120.300 0.124 0.000 2.314 288 Y HA 0.521 5.072 4.550 0.001 0.000 0.334 288 Y C 0.568 176.594 175.900 0.210 0.000 1.266 288 Y CA -0.543 57.660 58.100 0.172 0.000 1.391 288 Y CB 0.921 39.471 38.460 0.150 0.000 1.306 288 Y HN 0.106 nan 8.280 nan 0.000 0.558 289 V N 0.431 120.618 119.914 0.455 0.000 3.232 289 V HA 0.333 4.455 4.120 0.002 0.000 0.303 289 V C -1.086 175.201 176.094 0.322 0.000 1.311 289 V CA -1.021 61.508 62.300 0.382 0.000 1.061 289 V CB 2.455 34.491 31.823 0.355 0.000 1.085 289 V HN 0.908 nan 8.190 nan 0.000 0.447 290 H N -0.985 118.087 119.070 0.004 0.000 2.806 290 H HA 0.531 5.088 4.556 0.002 0.000 0.367 290 H C -1.117 173.974 175.328 -0.395 0.000 1.136 290 H CA -0.651 55.213 56.048 -0.306 0.000 1.178 290 H CB 1.752 31.330 29.762 -0.306 0.000 1.718 290 H HN 0.483 nan 8.280 nan 0.000 0.540 291 T N 6.341 120.473 114.554 -0.703 0.000 2.779 291 T HA 0.214 4.566 4.350 0.002 0.000 0.296 291 T C -2.165 172.186 174.700 -0.581 0.000 0.938 291 T CA -0.737 61.042 62.100 -0.536 0.000 1.119 291 T CB 0.798 69.444 68.868 -0.369 0.000 0.891 291 T HN 0.493 nan 8.240 nan 0.000 0.526 292 P HA 0.406 nan 4.420 nan 0.000 0.277 292 P C -0.741 176.306 177.300 -0.421 0.000 1.271 292 P CA -0.567 62.239 63.100 -0.490 0.000 0.795 292 P CB 1.038 32.441 31.700 -0.497 0.000 1.101 293 S N -0.999 114.415 115.700 -0.477 0.000 2.579 293 S HA 0.543 5.015 4.470 0.002 0.000 0.290 293 S C -0.821 173.625 174.600 -0.256 0.000 1.123 293 S CA -0.621 57.304 58.200 -0.458 0.000 0.894 293 S CB 0.250 62.953 63.200 -0.829 0.000 1.095 293 S HN 0.648 nan 8.310 nan 0.000 0.450 294 G N 2.612 111.416 108.800 0.008 0.000 2.348 294 G HA2 0.532 4.494 3.960 0.002 0.000 0.312 294 G HA3 0.532 4.494 3.960 0.002 0.000 0.312 294 G C 0.387 175.432 174.900 0.242 0.000 1.126 294 G CA -0.329 44.859 45.100 0.146 0.000 0.865 294 G HN 0.756 nan 8.290 nan 0.000 0.474 295 S N -0.071 115.804 115.700 0.291 0.000 2.459 295 S HA 0.175 4.646 4.470 0.002 0.000 0.231 295 S C 1.008 175.694 174.600 0.144 0.000 1.353 295 S CA -0.097 58.242 58.200 0.233 0.000 0.988 295 S CB -0.236 63.028 63.200 0.107 0.000 0.860 295 S HN 0.731 nan 8.310 nan 0.000 0.494 296 L N 0.772 122.048 121.223 0.087 0.000 2.453 296 L HA 0.725 5.067 4.340 0.002 0.000 0.261 296 L C -0.348 176.561 176.870 0.065 0.000 1.179 296 L CA -1.110 53.771 54.840 0.068 0.000 0.813 296 L CB 0.443 42.527 42.059 0.041 0.000 1.110 296 L HN 0.374 nan 8.230 nan 0.000 0.466 297 V N 0.236 120.185 119.914 0.059 0.000 2.581 297 V HA 0.909 5.031 4.120 0.002 0.000 0.303 297 V C -0.039 176.079 176.094 0.040 0.000 1.041 297 V CA 0.199 62.532 62.300 0.055 0.000 0.907 297 V CB 1.094 32.952 31.823 0.059 0.000 0.994 297 V HN 1.134 nan 8.190 nan 0.000 0.442 298 S N 1.751 117.472 115.700 0.035 0.000 2.579 298 S HA 0.499 4.970 4.470 0.002 0.000 0.272 298 S C 0.515 175.130 174.600 0.025 0.000 1.141 298 S CA -0.029 58.187 58.200 0.026 0.000 0.843 298 S CB 1.402 64.614 63.200 0.020 0.000 1.122 298 S HN 0.811 nan 8.310 nan 0.000 0.468 299 S N 0.825 116.536 115.700 0.019 0.000 2.382 299 S HA -0.097 4.375 4.470 0.002 0.000 0.228 299 S C 1.572 176.181 174.600 0.014 0.000 1.027 299 S CA 1.673 59.883 58.200 0.018 0.000 0.991 299 S CB -0.590 62.618 63.200 0.012 0.000 0.823 299 S HN 0.805 nan 8.310 nan 0.000 0.469 300 E N 1.522 121.728 120.200 0.011 0.000 2.147 300 E HA -0.103 4.249 4.350 0.002 0.000 0.199 300 E C 1.777 178.381 176.600 0.006 0.000 1.005 300 E CA 1.250 57.654 56.400 0.007 0.000 0.810 300 E CB -0.312 29.391 29.700 0.006 0.000 0.736 300 E HN 0.530 nan 8.360 nan 0.000 0.460 301 A N 0.016 122.842 122.820 0.010 0.000 2.275 301 A HA 0.042 4.363 4.320 0.002 0.000 0.212 301 A C 0.463 178.046 177.584 -0.001 0.000 1.201 301 A CA -0.203 51.837 52.037 0.005 0.000 0.843 301 A CB 0.097 19.105 19.000 0.014 0.000 0.873 301 A HN -0.013 nan 8.150 nan 0.000 0.492 302 Q N -0.166 119.639 119.800 0.009 0.000 2.263 302 Q HA 0.056 4.398 4.340 0.002 0.000 0.289 302 Q C 0.680 176.658 176.000 -0.037 0.000 1.061 302 Q CA 0.113 55.924 55.803 0.014 0.000 0.927 302 Q CB 1.056 29.818 28.738 0.039 0.000 1.154 302 Q HN 0.430 nan 8.270 nan 0.000 0.378 303 L N 3.702 124.843 121.223 -0.137 0.000 2.145 303 L HA 0.115 4.456 4.340 0.002 0.000 0.201 303 L C 0.377 177.091 176.870 -0.259 0.000 1.075 303 L CA 1.156 55.813 54.840 -0.305 0.000 0.773 303 L CB -0.032 41.639 42.059 -0.646 0.000 0.936 303 L HN 0.499 nan 8.230 nan 0.000 0.451 304 F N 0.089 120.116 119.950 0.129 0.000 2.299 304 F HA 0.180 4.709 4.527 0.002 0.000 0.293 304 F C 1.423 177.200 175.800 -0.038 0.000 1.252 304 F CA -0.013 58.033 58.000 0.075 0.000 1.160 304 F CB -0.361 38.666 39.000 0.044 0.000 1.405 304 F HN 0.052 nan 8.300 nan 0.000 0.517 305 N N -0.573 118.188 118.700 0.101 0.000 2.741 305 N HA -0.223 4.519 4.740 0.002 0.000 0.250 305 N C -1.453 173.991 175.510 -0.109 0.000 1.115 305 N CA 0.508 53.536 53.050 -0.036 0.000 0.724 305 N CB -0.883 37.604 38.487 0.001 0.000 1.090 305 N HN 0.415 nan 8.380 nan 0.000 0.558 306 K N 0.071 120.335 120.400 -0.226 0.000 2.535 306 K HA 0.370 4.692 4.320 0.002 0.000 0.250 306 K C -2.731 173.482 176.600 -0.644 0.000 0.948 306 K CA -1.625 54.497 56.287 -0.275 0.000 0.796 306 K CB 2.581 35.022 32.500 -0.100 0.000 1.216 306 K HN -0.148 nan 8.250 nan 0.000 0.432 307 P HA 0.017 nan 4.420 nan 0.000 0.271 307 P C -1.260 175.530 177.300 -0.850 0.000 1.216 307 P CA 0.057 62.653 63.100 -0.841 0.000 0.776 307 P CB 0.331 31.600 31.700 -0.718 0.000 0.881 308 Y N 0.886 120.753 120.300 -0.721 0.000 2.328 308 Y HA 0.329 4.881 4.550 0.002 0.000 0.333 308 Y C -0.133 175.334 175.900 -0.721 0.000 0.958 308 Y CA -0.902 56.879 58.100 -0.532 0.000 1.167 308 Y CB 1.280 39.536 38.460 -0.341 0.000 1.151 308 Y HN 0.344 nan 8.280 nan 0.000 0.470 309 W N 6.013 127.317 121.300 0.005 0.000 2.311 309 W HA 0.515 5.176 4.660 0.003 0.000 0.317 309 W C -0.641 175.823 176.519 -0.092 0.000 1.065 309 W CA -1.001 56.313 57.345 -0.053 0.000 1.364 309 W CB 0.851 30.319 29.460 0.014 0.000 1.233 309 W HN 0.359 nan 8.180 nan 0.000 0.409 310 L N 2.188 123.419 121.223 0.014 0.000 2.283 310 L HA 0.357 4.698 4.340 0.002 0.000 0.287 310 L C 1.004 177.911 176.870 0.061 0.000 1.073 310 L CA -0.360 54.456 54.840 -0.039 0.000 0.822 310 L CB 0.658 42.605 42.059 -0.187 0.000 1.186 310 L HN 0.600 nan 8.230 nan 0.000 0.436 311 Q N 1.865 121.723 119.800 0.098 0.000 2.402 311 Q HA 0.187 4.528 4.340 0.002 0.000 0.231 311 Q C 0.092 176.129 176.000 0.063 0.000 0.888 311 Q CA -0.149 55.705 55.803 0.085 0.000 0.938 311 Q CB 0.448 29.242 28.738 0.094 0.000 1.086 311 Q HN 0.552 nan 8.270 nan 0.000 0.543 312 K N 1.522 121.966 120.400 0.074 0.000 2.764 312 K HA 0.479 4.801 4.320 0.002 0.000 0.239 312 K C -1.307 175.346 176.600 0.088 0.000 1.048 312 K CA -0.188 56.139 56.287 0.067 0.000 1.057 312 K CB 1.113 33.652 32.500 0.066 0.000 1.251 312 K HN 0.251 nan 8.250 nan 0.000 0.524 313 A N 2.307 125.176 122.820 0.081 0.000 2.507 313 A HA 0.120 4.442 4.320 0.002 0.000 0.235 313 A C 0.641 178.303 177.584 0.130 0.000 1.070 313 A CA 0.365 52.487 52.037 0.142 0.000 0.768 313 A CB 0.289 19.374 19.000 0.141 0.000 1.011 313 A HN 0.792 nan 8.150 nan 0.000 0.502 314 Q N 1.194 121.086 119.800 0.154 0.000 2.389 314 Q HA 0.240 4.582 4.340 0.002 0.000 0.204 314 Q C 0.857 176.897 176.000 0.067 0.000 0.944 314 Q CA 0.919 56.781 55.803 0.099 0.000 0.908 314 Q CB -0.819 27.982 28.738 0.105 0.000 1.002 314 Q HN 0.746 nan 8.270 nan 0.000 0.493 315 G N -0.810 108.065 108.800 0.124 0.000 2.583 315 G HA2 0.294 4.256 3.960 0.002 0.000 0.280 315 G HA3 0.294 4.256 3.960 0.002 0.000 0.280 315 G C -0.450 174.481 174.900 0.053 0.000 1.376 315 G CA -0.561 44.591 45.100 0.087 0.000 1.043 315 G HN 0.282 nan 8.290 nan 0.000 0.538 316 H N -1.127 118.097 119.070 0.257 0.000 2.512 316 H HA 0.074 4.631 4.556 0.002 0.000 0.279 316 H C 0.740 176.248 175.328 0.299 0.000 0.999 316 H CA 0.224 56.434 56.048 0.270 0.000 1.283 316 H CB 0.436 30.387 29.762 0.316 0.000 1.421 316 H HN 0.264 nan 8.280 nan 0.000 0.554 317 N N 1.470 120.445 118.700 0.460 0.000 2.415 317 N HA -0.076 4.665 4.740 0.002 0.000 0.246 317 N C -0.759 174.877 175.510 0.211 0.000 1.078 317 N CA 0.017 53.310 53.050 0.406 0.000 0.942 317 N CB 0.048 38.868 38.487 0.554 0.000 1.140 317 N HN 0.199 nan 8.380 nan 0.000 0.501 318 N N 3.033 121.761 118.700 0.047 0.000 3.303 318 N HA 0.111 4.852 4.740 0.002 0.000 0.304 318 N C 0.382 175.688 175.510 -0.340 0.000 1.302 318 N CA 0.437 53.424 53.050 -0.105 0.000 1.213 318 N CB -0.497 37.968 38.487 -0.037 0.000 1.481 318 N HN 0.832 nan 8.380 nan 0.000 0.546 319 G N 1.490 109.804 108.800 -0.810 0.000 2.176 319 G HA2 -0.221 3.741 3.960 0.002 0.000 0.252 319 G HA3 -0.221 3.741 3.960 0.002 0.000 0.252 319 G C 0.097 174.756 174.900 -0.403 0.000 1.024 319 G CA -0.377 44.078 45.100 -1.075 0.000 0.755 319 G HN 0.423 nan 8.290 nan 0.000 0.507 320 I N 0.920 121.317 120.570 -0.289 0.000 2.363 320 I HA 0.162 4.334 4.170 0.002 0.000 0.292 320 I C 1.166 177.101 176.117 -0.303 0.000 1.075 320 I CA -0.941 60.117 61.300 -0.404 0.000 1.333 320 I CB 0.490 38.010 38.000 -0.800 0.000 1.415 320 I HN 0.155 nan 8.210 nan 0.000 0.502 321 C N 6.645 125.879 119.300 -0.111 0.000 3.183 321 C HA 0.095 4.556 4.460 0.002 0.000 0.545 321 C C 0.658 175.677 174.990 0.050 0.000 1.044 321 C CA -1.070 57.984 59.018 0.059 0.000 1.117 321 C CB -2.315 25.500 27.740 0.125 0.000 1.393 321 C HN 0.605 nan 8.230 nan 0.000 0.611 322 W N 0.597 121.976 121.300 0.131 0.000 2.314 322 W HA 0.334 4.996 4.660 0.002 0.000 0.339 322 W C 1.405 177.891 176.519 -0.055 0.000 1.293 322 W CA 1.299 58.664 57.345 0.033 0.000 1.288 322 W CB 0.218 29.676 29.460 -0.003 0.000 1.186 322 W HN 0.885 nan 8.180 nan 0.000 0.566 323 G N 2.528 111.412 108.800 0.140 0.000 2.155 323 G HA2 -0.434 3.528 3.960 0.002 0.000 0.257 323 G HA3 -0.434 3.528 3.960 0.002 0.000 0.257 323 G C 0.442 175.219 174.900 -0.205 0.000 0.983 323 G CA 0.190 45.208 45.100 -0.137 0.000 0.676 323 G HN 0.875 nan 8.290 nan 0.000 0.528 324 N N -0.990 117.703 118.700 -0.012 0.000 2.741 324 N HA -0.186 4.556 4.740 0.002 0.000 0.250 324 N C 0.092 175.620 175.510 0.030 0.000 1.115 324 N CA 1.910 54.966 53.050 0.010 0.000 0.724 324 N CB -1.869 36.610 38.487 -0.014 0.000 1.090 324 N HN 0.892 nan 8.380 nan 0.000 0.558 325 H N -0.218 118.858 119.070 0.011 0.000 2.595 325 H HA 0.753 5.311 4.556 0.003 0.000 0.346 325 H C 0.045 175.370 175.328 -0.005 0.000 1.181 325 H CA -0.788 55.250 56.048 -0.017 0.000 1.242 325 H CB 1.967 31.735 29.762 0.009 0.000 1.652 325 H HN -0.007 nan 8.280 nan 0.000 0.548 326 L N 1.622 122.897 121.223 0.086 0.000 2.737 326 L HA 0.170 4.512 4.340 0.002 0.000 0.261 326 L C -1.277 175.593 176.870 -0.001 0.000 0.949 326 L CA -0.225 54.655 54.840 0.067 0.000 0.952 326 L CB 1.687 43.774 42.059 0.047 0.000 1.337 326 L HN 0.549 nan 8.230 nan 0.000 0.430 327 S N 2.898 118.589 115.700 -0.015 0.000 2.442 327 S HA 0.598 5.070 4.470 0.002 0.000 0.297 327 S C -0.396 174.242 174.600 0.063 0.000 1.131 327 S CA -0.427 57.738 58.200 -0.057 0.000 1.092 327 S CB 1.746 64.834 63.200 -0.187 0.000 0.998 327 S HN 0.308 nan 8.310 nan 0.000 0.478 328 V N 4.226 124.234 119.914 0.157 0.000 2.350 328 V HA 0.362 4.484 4.120 0.002 0.000 0.285 328 V C 0.101 176.357 176.094 0.270 0.000 1.014 328 V CA -0.596 61.857 62.300 0.256 0.000 0.831 328 V CB 1.529 33.557 31.823 0.340 0.000 1.000 328 V HN 0.849 nan 8.190 nan 0.000 0.433 329 T N 4.691 119.374 114.554 0.215 0.000 2.837 329 T HA 0.698 5.049 4.350 0.002 0.000 0.285 329 T C -0.322 174.547 174.700 0.281 0.000 0.984 329 T CA -0.330 61.893 62.100 0.205 0.000 1.049 329 T CB 1.676 70.642 68.868 0.164 0.000 0.947 329 T HN 0.368 nan 8.240 nan 0.000 0.472 330 V N 3.052 123.124 119.914 0.264 0.000 2.888 330 V HA 0.615 4.736 4.120 0.002 0.000 0.309 330 V C -0.881 175.347 176.094 0.223 0.000 1.114 330 V CA -0.769 61.712 62.300 0.302 0.000 0.940 330 V CB 2.403 34.402 31.823 0.294 0.000 1.021 330 V HN 0.690 nan 8.190 nan 0.000 0.426 331 V N 2.838 122.900 119.914 0.246 0.000 2.569 331 V HA 0.626 4.748 4.120 0.002 0.000 0.301 331 V C -1.487 174.735 176.094 0.213 0.000 1.044 331 V CA -0.347 62.015 62.300 0.105 0.000 0.874 331 V CB 2.038 33.819 31.823 -0.070 0.000 1.002 331 V HN 0.996 nan 8.190 nan 0.000 0.424 332 D N 2.480 122.947 120.400 0.112 0.000 2.478 332 D HA 0.336 4.978 4.640 0.002 0.000 0.240 332 D C 0.649 176.944 176.300 -0.008 0.000 1.364 332 D CA 0.165 54.247 54.000 0.136 0.000 0.987 332 D CB 2.124 42.945 40.800 0.035 0.000 1.328 332 D HN 0.593 nan 8.370 nan 0.000 0.584 333 T N -0.664 113.863 114.554 -0.045 0.000 3.086 333 T HA 0.010 4.362 4.350 0.002 0.000 0.250 333 T C 1.530 176.175 174.700 -0.092 0.000 1.074 333 T CA 0.719 62.679 62.100 -0.233 0.000 0.988 333 T CB -0.180 68.472 68.868 -0.360 0.000 0.988 333 T HN 0.325 nan 8.240 nan 0.000 0.530 334 T N -0.016 114.545 114.554 0.012 0.000 3.163 334 T HA 0.142 4.493 4.350 0.002 0.000 0.260 334 T C 1.187 175.898 174.700 0.019 0.000 1.156 334 T CA 0.037 62.160 62.100 0.040 0.000 1.072 334 T CB -0.371 68.546 68.868 0.082 0.000 0.937 334 T HN 0.442 nan 8.240 nan 0.000 0.528 335 R N 0.919 121.417 120.500 -0.004 0.000 2.688 335 R HA 0.236 4.578 4.340 0.002 0.000 0.396 335 R C 0.637 176.990 176.300 0.088 0.000 1.081 335 R CA 0.087 56.193 56.100 0.010 0.000 1.093 335 R CB 0.695 30.968 30.300 -0.044 0.000 1.338 335 R HN 0.435 nan 8.270 nan 0.000 0.613 336 S N -1.064 114.654 115.700 0.030 0.000 2.622 336 S HA 0.014 4.485 4.470 0.002 0.000 0.236 336 S C 0.622 175.170 174.600 -0.086 0.000 0.956 336 S CA -0.552 57.619 58.200 -0.047 0.000 0.971 336 S CB -0.055 62.987 63.200 -0.264 0.000 0.782 336 S HN 0.131 nan 8.310 nan 0.000 0.468 337 T N 2.566 117.156 114.554 0.059 0.000 2.867 337 T HA 0.122 4.473 4.350 0.002 0.000 0.297 337 T C -0.133 174.588 174.700 0.034 0.000 0.989 337 T CA -0.209 61.909 62.100 0.031 0.000 1.159 337 T CB -0.185 68.712 68.868 0.049 0.000 0.928 337 T HN 0.440 nan 8.240 nan 0.000 0.538 338 N N 3.714 122.381 118.700 -0.056 0.000 2.678 338 N HA 0.269 5.010 4.740 0.002 0.000 0.231 338 N C 0.461 175.941 175.510 -0.049 0.000 1.038 338 N CA -0.583 52.410 53.050 -0.094 0.000 0.932 338 N CB 0.482 38.853 38.487 -0.194 0.000 1.176 338 N HN 0.665 nan 8.380 nan 0.000 0.511 339 M N -0.365 119.232 119.600 -0.006 0.000 2.232 339 M HA 0.276 4.757 4.480 0.002 0.000 0.321 339 M C -0.009 176.273 176.300 -0.030 0.000 1.101 339 M CA 0.188 55.481 55.300 -0.011 0.000 1.181 339 M CB 0.367 32.969 32.600 0.004 0.000 1.432 339 M HN 0.040 nan 8.290 nan 0.000 0.457 340 T N 3.383 117.930 114.554 -0.012 0.000 2.887 340 T HA 0.833 5.185 4.350 0.002 0.000 0.288 340 T C -0.747 173.970 174.700 0.028 0.000 1.021 340 T CA -0.931 61.171 62.100 0.004 0.000 1.000 340 T CB 1.428 70.296 68.868 0.000 0.000 1.034 340 T HN 0.703 nan 8.240 nan 0.000 0.467 341 L N 0.629 121.895 121.223 0.072 0.000 2.505 341 L HA 0.947 5.289 4.340 0.002 0.000 0.259 341 L C -0.981 175.991 176.870 0.170 0.000 0.952 341 L CA -1.146 53.747 54.840 0.088 0.000 0.840 341 L CB 1.433 43.532 42.059 0.067 0.000 1.358 341 L HN 0.842 nan 8.230 nan 0.000 0.409 342 C N 1.096 120.475 119.300 0.132 0.000 2.698 342 C HA 1.000 5.462 4.460 0.002 0.000 0.309 342 C C 0.159 175.257 174.990 0.180 0.000 1.186 342 C CA 0.125 59.246 59.018 0.172 0.000 1.474 342 C CB 0.909 28.683 27.740 0.056 0.000 2.020 342 C HN 1.315 nan 8.230 nan 0.000 0.474 343 A N 3.096 126.071 122.820 0.259 0.000 2.350 343 A HA 0.892 5.214 4.320 0.002 0.000 0.324 343 A C 0.206 177.951 177.584 0.268 0.000 1.118 343 A CA 0.020 52.191 52.037 0.224 0.000 0.783 343 A CB 1.087 20.205 19.000 0.196 0.000 1.236 343 A HN 1.943 nan 8.150 nan 0.000 0.457 344 S N 0.387 116.235 115.700 0.247 0.000 2.652 344 S HA 0.533 5.004 4.470 0.002 0.000 0.270 344 S C 0.152 174.756 174.600 0.007 0.000 1.243 344 S CA -0.173 58.116 58.200 0.148 0.000 0.999 344 S CB 1.349 64.618 63.200 0.115 0.000 0.973 344 S HN 0.948 nan 8.310 nan 0.000 0.544 345 V N 0.345 120.188 119.914 -0.120 0.000 3.382 345 V HA 0.316 4.438 4.120 0.002 0.000 0.296 345 V C 0.221 176.241 176.094 -0.124 0.000 1.529 345 V CA -0.075 62.173 62.300 -0.086 0.000 1.048 345 V CB 0.299 32.080 31.823 -0.070 0.000 0.878 345 V HN 0.909 nan 8.190 nan 0.000 0.442 346 S N -0.287 115.294 115.700 -0.198 0.000 2.801 346 S HA 0.214 4.685 4.470 0.002 0.000 0.236 346 S C 0.176 174.676 174.600 -0.167 0.000 0.852 346 S CA -0.625 57.473 58.200 -0.171 0.000 1.089 346 S CB 0.112 63.198 63.200 -0.190 0.000 1.376 346 S HN 0.344 nan 8.310 nan 0.000 0.470 347 K N 1.987 122.314 120.400 -0.121 0.000 2.188 347 K HA 0.006 4.327 4.320 0.002 0.000 0.203 347 K C 0.847 177.426 176.600 -0.035 0.000 1.033 347 K CA 0.294 56.545 56.287 -0.059 0.000 1.296 347 K CB -0.330 32.168 32.500 -0.004 0.000 1.009 347 K HN 0.362 nan 8.250 nan 0.000 0.243 348 S N -0.623 115.047 115.700 -0.050 0.000 3.294 348 S HA 0.084 4.555 4.470 0.002 0.000 0.195 348 S C -0.191 174.395 174.600 -0.024 0.000 0.943 348 S CA 0.146 58.332 58.200 -0.023 0.000 1.266 348 S CB -0.371 62.815 63.200 -0.023 0.000 1.152 348 S HN 0.491 nan 8.310 nan 0.000 0.386 349 A N 2.015 124.802 122.820 -0.054 0.000 2.577 349 A HA 0.417 4.738 4.320 0.002 0.000 0.233 349 A C 0.312 177.887 177.584 -0.016 0.000 1.076 349 A CA 0.988 52.998 52.037 -0.045 0.000 0.767 349 A CB -0.351 18.600 19.000 -0.082 0.000 1.017 349 A HN 0.452 nan 8.150 nan 0.000 0.511 350 T N 2.061 116.623 114.554 0.013 0.000 2.769 350 T HA 0.238 4.589 4.350 0.002 0.000 0.293 350 T C -0.083 174.675 174.700 0.096 0.000 0.931 350 T CA 0.620 62.759 62.100 0.064 0.000 1.139 350 T CB -0.635 68.270 68.868 0.061 0.000 0.881 350 T HN 0.473 nan 8.240 nan 0.000 0.532 351 Y N 3.842 124.176 120.300 0.057 0.000 2.501 351 Y HA -0.247 4.304 4.550 0.002 0.000 0.409 351 Y C 0.345 176.292 175.900 0.078 0.000 1.119 351 Y CA 0.888 59.047 58.100 0.097 0.000 1.469 351 Y CB -0.519 37.996 38.460 0.091 0.000 1.192 351 Y HN 0.577 nan 8.280 nan 0.000 0.433 352 T N 6.089 120.419 114.554 -0.374 0.000 2.949 352 T HA 0.176 4.527 4.350 0.002 0.000 0.300 352 T C 0.882 175.421 174.700 -0.268 0.000 0.988 352 T CA -0.481 61.493 62.100 -0.211 0.000 0.993 352 T CB 1.129 69.904 68.868 -0.156 0.000 0.984 352 T HN 0.682 nan 8.240 nan 0.000 0.442 353 N N 1.594 120.238 118.700 -0.093 0.000 2.091 353 N HA -0.200 4.542 4.740 0.002 0.000 0.193 353 N C 2.142 177.647 175.510 -0.008 0.000 1.021 353 N CA 1.628 54.690 53.050 0.019 0.000 0.862 353 N CB 0.043 38.579 38.487 0.083 0.000 1.018 353 N HN 0.639 nan 8.380 nan 0.000 0.429 354 S N 0.233 115.894 115.700 -0.064 0.000 2.465 354 S HA -0.118 4.354 4.470 0.002 0.000 0.241 354 S C 0.940 175.442 174.600 -0.162 0.000 1.000 354 S CA 1.178 59.330 58.200 -0.080 0.000 0.964 354 S CB -0.101 63.056 63.200 -0.070 0.000 0.763 354 S HN 0.208 nan 8.310 nan 0.000 0.512 355 D N 0.405 120.607 120.400 -0.330 0.000 2.371 355 D HA 0.160 4.801 4.640 0.002 0.000 0.221 355 D C -0.340 175.538 176.300 -0.702 0.000 0.986 355 D CA 0.695 54.336 54.000 -0.598 0.000 0.899 355 D CB -0.065 40.166 40.800 -0.948 0.000 0.902 355 D HN 0.612 nan 8.370 nan 0.000 0.530 356 Y N -0.676 119.570 120.300 -0.090 0.000 2.576 356 Y HA 0.447 4.998 4.550 0.002 0.000 0.346 356 Y C 0.221 176.087 175.900 -0.056 0.000 1.018 356 Y CA -1.238 56.830 58.100 -0.054 0.000 1.050 356 Y CB 1.831 40.260 38.460 -0.052 0.000 1.280 356 Y HN -0.516 nan 8.280 nan 0.000 0.474 357 K N 2.132 122.611 120.400 0.131 0.000 2.450 357 K HA 0.309 4.631 4.320 0.002 0.000 0.257 357 K C -1.079 175.411 176.600 -0.182 0.000 0.953 357 K CA -0.806 55.436 56.287 -0.075 0.000 0.844 357 K CB 1.787 34.235 32.500 -0.087 0.000 1.103 357 K HN 0.579 nan 8.250 nan 0.000 0.429 358 E N 2.313 122.361 120.200 -0.252 0.000 2.277 358 E HA 0.282 4.633 4.350 0.002 0.000 0.274 358 E C -0.662 175.707 176.600 -0.386 0.000 1.022 358 E CA -0.212 56.083 56.400 -0.174 0.000 0.853 358 E CB 1.087 30.746 29.700 -0.068 0.000 1.086 358 E HN 0.369 nan 8.360 nan 0.000 0.397 359 Y N -0.055 120.264 120.300 0.033 0.000 2.665 359 Y HA 0.466 5.018 4.550 0.003 0.000 0.336 359 Y C 0.247 176.121 175.900 -0.043 0.000 1.085 359 Y CA -1.060 57.057 58.100 0.029 0.000 1.096 359 Y CB 1.500 39.982 38.460 0.037 0.000 1.301 359 Y HN 0.201 nan 8.280 nan 0.000 0.493 360 M N 2.070 121.712 119.600 0.071 0.000 2.259 360 M HA 0.496 4.977 4.480 0.002 0.000 0.304 360 M C -1.274 174.858 176.300 -0.279 0.000 1.019 360 M CA -0.689 54.468 55.300 -0.237 0.000 0.922 360 M CB 1.998 34.227 32.600 -0.618 0.000 1.600 360 M HN 0.554 nan 8.290 nan 0.000 0.433 361 R N 1.459 121.845 120.500 -0.190 0.000 2.564 361 R HA 0.486 4.828 4.340 0.002 0.000 0.284 361 R C -1.277 175.001 176.300 -0.037 0.000 1.031 361 R CA -0.508 55.525 56.100 -0.112 0.000 0.904 361 R CB 2.061 32.333 30.300 -0.047 0.000 1.199 361 R HN 0.808 nan 8.270 nan 0.000 0.443 362 H N 0.820 119.805 119.070 -0.141 0.000 2.710 362 H HA 0.724 5.282 4.556 0.003 0.000 0.361 362 H C -1.029 174.275 175.328 -0.039 0.000 1.175 362 H CA -0.967 55.025 56.048 -0.094 0.000 1.206 362 H CB 2.205 31.911 29.762 -0.093 0.000 1.750 362 H HN 0.194 nan 8.280 nan 0.000 0.553 363 V N 2.207 121.704 119.914 -0.694 0.000 3.049 363 V HA 0.219 4.340 4.120 0.002 0.000 0.309 363 V C -1.043 174.713 176.094 -0.564 0.000 1.148 363 V CA -0.680 61.349 62.300 -0.451 0.000 0.990 363 V CB 2.240 33.939 31.823 -0.206 0.000 1.039 363 V HN 0.754 nan 8.190 nan 0.000 0.430 364 E N 1.865 121.929 120.200 -0.225 0.000 2.292 364 E HA 0.542 4.894 4.350 0.002 0.000 0.272 364 E C -1.259 175.305 176.600 -0.060 0.000 0.881 364 E CA -0.452 55.864 56.400 -0.140 0.000 0.754 364 E CB 2.095 31.871 29.700 0.128 0.000 1.201 364 E HN 0.695 nan 8.360 nan 0.000 0.425 365 E N 3.948 123.993 120.200 -0.259 0.000 2.255 365 E HA 0.383 4.734 4.350 0.002 0.000 0.256 365 E C -1.241 175.131 176.600 -0.381 0.000 0.887 365 E CA -0.379 55.915 56.400 -0.177 0.000 0.782 365 E CB 0.597 30.207 29.700 -0.151 0.000 1.214 365 E HN 0.300 nan 8.360 nan 0.000 0.417 366 F N 1.705 121.589 119.950 -0.110 0.000 2.613 366 F HA 0.467 4.995 4.527 0.002 0.000 0.342 366 F C 0.104 175.776 175.800 -0.212 0.000 1.066 366 F CA -0.671 57.201 58.000 -0.213 0.000 1.002 366 F CB 1.643 40.437 39.000 -0.343 0.000 1.319 366 F HN 0.290 nan 8.300 nan 0.000 0.495 367 D N 1.482 121.863 120.400 -0.032 0.000 2.881 367 D HA 0.176 4.818 4.640 0.002 0.000 0.238 367 D C -1.527 174.654 176.300 -0.198 0.000 1.368 367 D CA -0.113 53.825 54.000 -0.103 0.000 0.871 367 D CB 0.214 40.972 40.800 -0.071 0.000 1.516 367 D HN 0.357 nan 8.370 nan 0.000 0.544 368 L N 2.946 123.988 121.223 -0.301 0.000 2.369 368 L HA 0.280 4.622 4.340 0.002 0.000 0.279 368 L C 0.699 177.311 176.870 -0.430 0.000 1.108 368 L CA -0.008 54.560 54.840 -0.454 0.000 0.852 368 L CB 0.457 42.244 42.059 -0.453 0.000 1.169 368 L HN 0.264 nan 8.230 nan 0.000 0.452 369 Q N 3.199 122.603 119.800 -0.660 0.000 2.353 369 Q HA 0.723 5.065 4.340 0.002 0.000 0.268 369 Q C -1.362 174.104 176.000 -0.889 0.000 1.045 369 Q CA -0.743 54.743 55.803 -0.528 0.000 0.811 369 Q CB 2.278 30.860 28.738 -0.260 0.000 1.305 369 Q HN 0.312 nan 8.270 nan 0.000 0.447 370 F N 0.732 120.327 119.950 -0.592 0.000 2.740 370 F HA 0.687 5.215 4.527 0.002 0.000 0.357 370 F C -0.275 175.001 175.800 -0.874 0.000 1.141 370 F CA -1.390 56.168 58.000 -0.737 0.000 1.044 370 F CB 1.487 39.949 39.000 -0.896 0.000 1.430 370 F HN 0.403 nan 8.300 nan 0.000 0.518 371 I N 1.369 121.497 120.570 -0.737 0.000 2.560 371 I HA 0.266 4.437 4.170 0.002 0.000 0.283 371 I C -1.619 174.104 176.117 -0.655 0.000 1.115 371 I CA -0.150 60.781 61.300 -0.615 0.000 1.066 371 I CB 1.364 39.094 38.000 -0.450 0.000 1.221 371 I HN 0.314 nan 8.210 nan 0.000 0.450 372 F N 3.792 123.594 119.950 -0.247 0.000 2.483 372 F HA 0.547 5.076 4.527 0.002 0.000 0.329 372 F C 0.337 176.223 175.800 0.144 0.000 1.064 372 F CA -0.601 57.339 58.000 -0.100 0.000 0.986 372 F CB 1.370 40.170 39.000 -0.333 0.000 1.218 372 F HN 0.344 nan 8.300 nan 0.000 0.484 373 Q N 2.445 122.491 119.800 0.410 0.000 2.310 373 Q HA 0.432 4.774 4.340 0.002 0.000 0.270 373 Q C -1.496 174.634 176.000 0.217 0.000 1.025 373 Q CA -1.163 54.711 55.803 0.119 0.000 0.772 373 Q CB 1.860 30.519 28.738 -0.132 0.000 1.253 373 Q HN 0.713 nan 8.270 nan 0.000 0.450 374 L N 3.890 125.215 121.223 0.170 0.000 2.499 374 L HA 0.214 4.555 4.340 0.002 0.000 0.273 374 L C -1.218 175.518 176.870 -0.224 0.000 1.195 374 L CA 0.674 55.423 54.840 -0.153 0.000 0.882 374 L CB 0.425 42.367 42.059 -0.194 0.000 1.133 374 L HN 0.854 nan 8.230 nan 0.000 0.483 375 C N 2.623 121.749 119.300 -0.291 0.000 2.971 375 C HA 0.887 5.349 4.460 0.002 0.000 0.310 375 C C 0.039 174.868 174.990 -0.268 0.000 1.285 375 C CA -0.516 58.362 59.018 -0.233 0.000 1.593 375 C CB 1.763 29.392 27.740 -0.185 0.000 2.076 375 C HN 0.946 nan 8.230 nan 0.000 0.472 376 S N 0.133 115.718 115.700 -0.192 0.000 2.667 376 S HA 0.895 5.367 4.470 0.002 0.000 0.292 376 S C -1.359 173.204 174.600 -0.062 0.000 1.126 376 S CA -0.556 57.544 58.200 -0.167 0.000 0.881 376 S CB 1.128 64.239 63.200 -0.148 0.000 1.132 376 S HN 0.653 nan 8.310 nan 0.000 0.492 377 I N 1.949 122.498 120.570 -0.035 0.000 2.560 377 I HA 0.218 4.390 4.170 0.002 0.000 0.283 377 I C -0.313 175.831 176.117 0.044 0.000 1.115 377 I CA -0.549 60.788 61.300 0.061 0.000 1.066 377 I CB 2.250 40.355 38.000 0.175 0.000 1.221 377 I HN 0.888 nan 8.210 nan 0.000 0.450 378 T N 4.166 118.762 114.554 0.070 0.000 2.799 378 T HA 0.352 4.703 4.350 0.002 0.000 0.296 378 T C 0.236 174.980 174.700 0.073 0.000 0.947 378 T CA -0.411 61.720 62.100 0.052 0.000 1.141 378 T CB 0.513 69.410 68.868 0.048 0.000 0.891 378 T HN 0.395 nan 8.240 nan 0.000 0.533 379 L N 4.287 125.540 121.223 0.050 0.000 2.376 379 L HA 0.167 4.509 4.340 0.002 0.000 0.250 379 L C 1.357 178.266 176.870 0.064 0.000 1.335 379 L CA -0.630 54.259 54.840 0.082 0.000 1.214 379 L CB -1.021 41.081 42.059 0.073 0.000 1.395 379 L HN 0.880 nan 8.230 nan 0.000 0.424 380 S N 0.047 115.787 115.700 0.066 0.000 2.624 380 S HA 0.385 4.856 4.470 0.002 0.000 0.263 380 S C 1.469 176.095 174.600 0.044 0.000 1.287 380 S CA -0.174 58.053 58.200 0.045 0.000 0.990 380 S CB 1.696 64.921 63.200 0.042 0.000 0.950 380 S HN 0.433 nan 8.310 nan 0.000 0.561 381 A N 1.306 124.142 122.820 0.028 0.000 1.892 381 A HA -0.201 4.120 4.320 0.002 0.000 0.218 381 A C 2.221 179.820 177.584 0.025 0.000 1.188 381 A CA 1.933 53.982 52.037 0.021 0.000 0.631 381 A CB -1.406 17.600 19.000 0.010 0.000 0.822 381 A HN 1.031 nan 8.150 nan 0.000 0.447 382 E N -0.348 119.866 120.200 0.023 0.000 2.072 382 E HA -0.118 4.234 4.350 0.002 0.000 0.191 382 E C 1.776 178.395 176.600 0.033 0.000 0.985 382 E CA 1.478 57.892 56.400 0.022 0.000 0.801 382 E CB -0.652 29.053 29.700 0.007 0.000 0.750 382 E HN 0.298 nan 8.360 nan 0.000 0.452 383 V N 1.222 121.159 119.914 0.038 0.000 2.343 383 V HA -0.276 3.845 4.120 0.002 0.000 0.247 383 V C 2.531 178.684 176.094 0.097 0.000 1.051 383 V CA 2.067 64.397 62.300 0.051 0.000 1.036 383 V CB -0.498 31.395 31.823 0.116 0.000 0.654 383 V HN 0.236 nan 8.190 nan 0.000 0.451 384 M N 0.284 119.942 119.600 0.097 0.000 2.108 384 M HA -0.149 4.332 4.480 0.002 0.000 0.261 384 M C 2.037 178.383 176.300 0.077 0.000 1.066 384 M CA 2.155 57.515 55.300 0.100 0.000 1.107 384 M CB -0.570 32.074 32.600 0.072 0.000 1.356 384 M HN 0.320 nan 8.290 nan 0.000 0.406 385 A N -1.062 121.794 122.820 0.059 0.000 1.835 385 A HA -0.224 4.098 4.320 0.002 0.000 0.215 385 A C 2.068 179.699 177.584 0.078 0.000 1.199 385 A CA 1.844 53.912 52.037 0.052 0.000 0.615 385 A CB -1.552 17.472 19.000 0.038 0.000 0.838 385 A HN 0.647 nan 8.150 nan 0.000 0.444 386 Y N 0.762 121.027 120.300 -0.058 0.000 2.069 386 Y HA -0.296 4.255 4.550 0.002 0.000 0.278 386 Y C 2.086 177.911 175.900 -0.125 0.000 1.175 386 Y CA 2.140 60.181 58.100 -0.098 0.000 1.134 386 Y CB -0.366 37.966 38.460 -0.214 0.000 0.965 386 Y HN 0.299 nan 8.280 nan 0.000 0.498 387 I N -0.705 119.811 120.570 -0.089 0.000 2.179 387 I HA -0.373 3.799 4.170 0.002 0.000 0.242 387 I C 2.632 178.566 176.117 -0.304 0.000 1.088 387 I CA 1.836 62.976 61.300 -0.267 0.000 1.357 387 I CB -0.809 37.109 38.000 -0.136 0.000 1.051 387 I HN 0.419 nan 8.210 nan 0.000 0.409 388 H N 1.002 119.941 119.070 -0.218 0.000 2.422 388 H HA -0.155 4.403 4.556 0.003 0.000 0.298 388 H C 2.028 177.229 175.328 -0.213 0.000 1.098 388 H CA 2.061 57.992 56.048 -0.195 0.000 1.315 388 H CB 0.142 29.836 29.762 -0.114 0.000 1.382 388 H HN 0.256 nan 8.280 nan 0.000 0.523 389 T N 0.908 115.366 114.554 -0.160 0.000 2.851 389 T HA -0.073 4.278 4.350 0.002 0.000 0.262 389 T C 2.194 176.715 174.700 -0.298 0.000 1.043 389 T CA 1.039 63.038 62.100 -0.169 0.000 1.140 389 T CB -0.058 68.768 68.868 -0.071 0.000 0.872 389 T HN 0.332 nan 8.240 nan 0.000 0.446 390 M N 1.122 120.421 119.600 -0.500 0.000 2.062 390 M HA -0.001 4.481 4.480 0.002 0.000 0.259 390 M C 0.653 176.513 176.300 -0.733 0.000 1.076 390 M CA 1.607 56.385 55.300 -0.870 0.000 1.122 390 M CB 0.147 32.013 32.600 -1.222 0.000 1.312 390 M HN 0.079 nan 8.290 nan 0.000 0.412 391 N N -0.156 118.144 118.700 -0.666 0.000 2.675 391 N HA 0.226 4.968 4.740 0.002 0.000 0.254 391 N C -2.330 172.872 175.510 -0.514 0.000 1.224 391 N CA -1.312 51.403 53.050 -0.558 0.000 0.777 391 N CB 1.386 39.509 38.487 -0.607 0.000 1.256 391 N HN 0.064 nan 8.380 nan 0.000 0.531 392 P HA -0.175 nan 4.420 nan 0.000 0.218 392 P C 1.039 178.131 177.300 -0.347 0.000 1.146 392 P CA 1.205 64.018 63.100 -0.480 0.000 0.820 392 P CB 0.430 31.795 31.700 -0.559 0.000 0.778 393 S N 0.320 115.821 115.700 -0.332 0.000 2.353 393 S HA -0.124 4.348 4.470 0.002 0.000 0.222 393 S C 2.191 176.575 174.600 -0.360 0.000 1.035 393 S CA 1.605 59.634 58.200 -0.285 0.000 1.025 393 S CB -1.457 61.592 63.200 -0.252 0.000 0.902 393 S HN 0.003 nan 8.310 nan 0.000 0.440 394 V N 2.191 121.814 119.914 -0.485 0.000 2.313 394 V HA -0.255 3.867 4.120 0.002 0.000 0.253 394 V C 2.186 177.746 176.094 -0.890 0.000 1.070 394 V CA 1.841 63.701 62.300 -0.732 0.000 1.057 394 V CB -0.822 30.465 31.823 -0.893 0.000 0.653 394 V HN 0.400 nan 8.190 nan 0.000 0.450 395 L N -0.621 120.274 121.223 -0.546 0.000 2.023 395 L HA -0.122 4.220 4.340 0.002 0.000 0.205 395 L C 2.599 179.404 176.870 -0.109 0.000 1.073 395 L CA 1.511 56.203 54.840 -0.247 0.000 0.745 395 L CB -0.662 41.358 42.059 -0.065 0.000 0.900 395 L HN 0.336 nan 8.230 nan 0.000 0.435 396 E N 0.090 120.214 120.200 -0.127 0.000 2.273 396 E HA -0.249 4.102 4.350 0.002 0.000 0.198 396 E C 1.353 177.921 176.600 -0.053 0.000 1.002 396 E CA 1.230 57.589 56.400 -0.067 0.000 0.828 396 E CB -0.083 29.565 29.700 -0.086 0.000 0.747 396 E HN 0.520 nan 8.360 nan 0.000 0.491 397 D N -0.484 119.847 120.400 -0.115 0.000 2.216 397 D HA -0.071 4.571 4.640 0.002 0.000 0.208 397 D C 0.294 176.655 176.300 0.100 0.000 0.960 397 D CA 0.361 54.327 54.000 -0.057 0.000 0.861 397 D CB -0.097 40.617 40.800 -0.143 0.000 0.985 397 D HN 0.174 nan 8.370 nan 0.000 0.493 398 W N 3.206 124.502 121.300 -0.006 0.000 1.872 398 W HA 0.170 4.831 4.660 0.002 0.000 0.503 398 W C -0.004 176.517 176.519 0.004 0.000 0.794 398 W CA -0.146 57.203 57.345 0.007 0.000 1.972 398 W CB -1.724 27.751 29.460 0.025 0.000 1.730 398 W HN -0.078 nan 8.180 nan 0.000 0.253 434 Q N 0.275 120.066 119.800 -0.015 0.000 2.204 434 Q HA 0.482 4.824 4.340 0.002 0.000 0.254 434 Q C -1.189 174.807 176.000 -0.007 0.000 0.981 434 Q CA -0.459 55.338 55.803 -0.009 0.000 0.897 434 Q CB 1.627 30.354 28.738 -0.018 0.000 1.273 434 Q HN 0.593 nan 8.270 nan 0.000 0.464 435 D N 2.061 122.468 120.400 0.012 0.000 2.295 435 D HA 0.212 4.854 4.640 0.002 0.000 0.248 435 D C -1.679 174.612 176.300 -0.016 0.000 1.154 435 D CA -1.848 52.172 54.000 0.033 0.000 0.857 435 D CB 1.292 42.141 40.800 0.082 0.000 1.117 435 D HN 0.397 nan 8.370 nan 0.000 0.468 436 P HA -0.111 nan 4.420 nan 0.000 0.231 436 P C -0.174 176.851 177.300 -0.458 0.000 1.158 436 P CA 0.845 63.749 63.100 -0.327 0.000 0.763 436 P CB 0.048 31.466 31.700 -0.470 0.000 0.805 437 Y N -1.189 119.164 120.300 0.087 0.000 2.720 437 Y HA 0.253 4.805 4.550 0.003 0.000 0.264 437 Y C 1.884 177.858 175.900 0.123 0.000 0.989 437 Y CA -0.708 57.474 58.100 0.136 0.000 1.100 437 Y CB 0.587 39.208 38.460 0.269 0.000 1.196 437 Y HN -0.232 nan 8.280 nan 0.000 0.631 438 K N 0.755 121.257 120.400 0.171 0.000 2.097 438 K HA -0.164 4.158 4.320 0.002 0.000 0.206 438 K C 0.720 177.362 176.600 0.069 0.000 1.049 438 K CA 2.069 58.421 56.287 0.109 0.000 0.933 438 K CB 0.136 32.670 32.500 0.057 0.000 0.717 438 K HN 0.438 nan 8.250 nan 0.000 0.442 439 D N 0.991 121.425 120.400 0.057 0.000 2.144 439 D HA -0.100 4.542 4.640 0.002 0.000 0.200 439 D C 1.073 177.345 176.300 -0.046 0.000 0.978 439 D CA 0.779 54.784 54.000 0.009 0.000 0.833 439 D CB -0.041 40.766 40.800 0.012 0.000 0.961 439 D HN 0.316 nan 8.370 nan 0.000 0.470 440 M N 0.970 120.537 119.600 -0.055 0.000 2.232 440 M HA 0.110 4.591 4.480 0.002 0.000 0.321 440 M C 0.437 176.453 176.300 -0.474 0.000 1.101 440 M CA 0.126 55.247 55.300 -0.299 0.000 1.181 440 M CB 0.621 32.992 32.600 -0.382 0.000 1.432 440 M HN -0.208 nan 8.290 nan 0.000 0.457 441 S N 1.363 116.659 115.700 -0.673 0.000 2.498 441 S HA 0.796 5.267 4.470 0.002 0.000 0.317 441 S C -1.049 173.145 174.600 -0.676 0.000 1.090 441 S CA -0.808 57.086 58.200 -0.510 0.000 1.089 441 S CB 0.450 63.487 63.200 -0.272 0.000 0.997 441 S HN 0.533 nan 8.310 nan 0.000 0.470 442 F N 0.673 120.598 119.950 -0.042 0.000 2.593 442 F HA 0.523 5.052 4.527 0.002 0.000 0.320 442 F C -0.277 175.553 175.800 0.050 0.000 1.060 442 F CA -1.280 56.704 58.000 -0.028 0.000 0.940 442 F CB 0.990 39.965 39.000 -0.042 0.000 1.268 442 F HN 0.647 nan 8.300 nan 0.000 0.475 443 W N 3.996 125.322 121.300 0.044 0.000 2.497 443 W HA 0.217 4.879 4.660 0.002 0.000 0.354 443 W C -0.302 176.289 176.519 0.121 0.000 1.111 443 W CA -0.608 56.746 57.345 0.016 0.000 1.510 443 W CB -0.038 29.333 29.460 -0.148 0.000 1.466 443 W HN 0.473 nan 8.180 nan 0.000 0.409 444 E N 3.783 124.245 120.200 0.437 0.000 2.415 444 E HA 0.042 4.393 4.350 0.002 0.000 0.260 444 E C -0.543 176.279 176.600 0.370 0.000 1.016 444 E CA 0.215 56.800 56.400 0.309 0.000 0.924 444 E CB 1.492 31.307 29.700 0.190 0.000 0.961 444 E HN 0.126 nan 8.360 nan 0.000 0.459 445 V N 4.739 124.793 119.914 0.234 0.000 2.325 445 V HA 0.093 4.214 4.120 0.002 0.000 0.280 445 V C 0.084 176.225 176.094 0.079 0.000 1.016 445 V CA -0.948 61.447 62.300 0.160 0.000 0.818 445 V CB 1.323 33.194 31.823 0.080 0.000 1.019 445 V HN 0.454 nan 8.190 nan 0.000 0.434 446 N N 4.833 123.583 118.700 0.083 0.000 2.422 446 N HA 0.371 5.112 4.740 0.002 0.000 0.264 446 N C 0.100 175.626 175.510 0.028 0.000 1.063 446 N CA -0.168 52.907 53.050 0.042 0.000 0.959 446 N CB 1.148 39.667 38.487 0.053 0.000 1.087 446 N HN 0.625 nan 8.380 nan 0.000 0.483 447 L N 3.187 124.400 121.223 -0.016 0.000 3.014 447 L HA 0.228 4.569 4.340 0.002 0.000 0.263 447 L C 1.598 178.444 176.870 -0.041 0.000 1.207 447 L CA -0.127 54.722 54.840 0.014 0.000 1.017 447 L CB 0.145 42.225 42.059 0.035 0.000 1.360 447 L HN 0.518 nan 8.230 nan 0.000 0.560 448 K N 0.874 121.217 120.400 -0.095 0.000 2.009 448 K HA -0.206 4.115 4.320 0.002 0.000 0.210 448 K C 1.157 177.724 176.600 -0.055 0.000 1.049 448 K CA 1.586 57.778 56.287 -0.158 0.000 0.929 448 K CB 0.062 32.512 32.500 -0.084 0.000 0.714 448 K HN 0.098 nan 8.250 nan 0.000 0.440 449 E N 0.270 120.494 120.200 0.040 0.000 2.403 449 E HA -0.001 4.351 4.350 0.002 0.000 0.187 449 E C 0.478 177.170 176.600 0.154 0.000 1.073 449 E CA 0.211 56.673 56.400 0.105 0.000 0.888 449 E CB 0.416 30.173 29.700 0.094 0.000 1.035 449 E HN 0.039 nan 8.360 nan 0.000 0.471 450 K N -0.385 120.122 120.400 0.177 0.000 2.358 450 K HA 0.139 4.460 4.320 0.002 0.000 0.200 450 K C -0.254 176.518 176.600 0.286 0.000 1.030 450 K CA -0.068 56.348 56.287 0.216 0.000 1.097 450 K CB 0.340 32.938 32.500 0.165 0.000 0.862 450 K HN 0.047 nan 8.250 nan 0.000 0.534 451 F N 1.072 121.019 119.950 -0.004 0.000 2.410 451 F HA 0.248 4.776 4.527 0.002 0.000 0.334 451 F C 0.906 176.849 175.800 0.238 0.000 1.134 451 F CA -0.542 57.469 58.000 0.018 0.000 1.227 451 F CB 1.053 39.929 39.000 -0.206 0.000 1.194 451 F HN -0.270 nan 8.300 nan 0.000 0.571 452 S N -0.179 115.773 115.700 0.421 0.000 2.548 452 S HA 0.324 4.796 4.470 0.002 0.000 0.278 452 S C -0.076 174.697 174.600 0.288 0.000 1.150 452 S CA -0.220 58.225 58.200 0.409 0.000 0.907 452 S CB 0.974 64.344 63.200 0.282 0.000 1.108 452 S HN 0.666 nan 8.310 nan 0.000 0.459 453 S N 2.244 118.023 115.700 0.131 0.000 2.605 453 S HA 0.274 4.746 4.470 0.002 0.000 0.217 453 S C 0.168 174.791 174.600 0.038 0.000 0.958 453 S CA -0.055 58.036 58.200 -0.181 0.000 0.919 453 S CB -0.111 62.833 63.200 -0.426 0.000 0.780 453 S HN 0.579 nan 8.310 nan 0.000 0.507 454 E N 1.865 122.173 120.200 0.180 0.000 2.232 454 E HA 0.390 4.742 4.350 0.002 0.000 0.296 454 E C 1.008 177.786 176.600 0.297 0.000 1.372 454 E CA -0.283 56.241 56.400 0.206 0.000 1.527 454 E CB -0.565 29.261 29.700 0.210 0.000 1.424 454 E HN 0.472 nan 8.360 nan 0.000 0.485 455 L N 0.733 122.098 121.223 0.236 0.000 2.034 455 L HA -0.307 4.035 4.340 0.002 0.000 0.217 455 L C 1.884 178.905 176.870 0.252 0.000 1.077 455 L CA 1.876 56.880 54.840 0.274 0.000 0.769 455 L CB -0.650 41.556 42.059 0.244 0.000 0.890 455 L HN 0.431 nan 8.230 nan 0.000 0.435 456 D N -0.615 119.868 120.400 0.138 0.000 2.403 456 D HA -0.192 4.450 4.640 0.002 0.000 0.227 456 D C 1.587 177.870 176.300 -0.029 0.000 0.995 456 D CA 0.715 54.749 54.000 0.057 0.000 0.928 456 D CB -0.114 40.701 40.800 0.025 0.000 0.887 456 D HN 0.435 nan 8.370 nan 0.000 0.529 457 Q N -0.608 119.141 119.800 -0.085 0.000 2.319 457 Q HA 0.171 4.512 4.340 0.002 0.000 0.202 457 Q C -0.458 175.008 176.000 -0.891 0.000 0.896 457 Q CA 0.155 55.670 55.803 -0.479 0.000 0.942 457 Q CB 0.325 28.680 28.738 -0.639 0.000 1.083 457 Q HN 0.322 nan 8.270 nan 0.000 0.510 458 F N 0.301 120.142 119.950 -0.182 0.000 2.565 458 F HA 0.322 4.850 4.527 0.002 0.000 0.313 458 F C -1.490 174.240 175.800 -0.116 0.000 1.091 458 F CA -2.461 55.377 58.000 -0.271 0.000 0.915 458 F CB 1.353 39.861 39.000 -0.820 0.000 1.208 458 F HN -0.253 nan 8.300 nan 0.000 0.453 459 P HA -0.223 nan 4.420 nan 0.000 0.215 459 P C 1.794 179.171 177.300 0.128 0.000 1.163 459 P CA 1.641 64.787 63.100 0.076 0.000 0.894 459 P CB 0.675 32.403 31.700 0.046 0.000 0.791 460 L N -0.809 120.519 121.223 0.176 0.000 2.093 460 L HA -0.058 4.283 4.340 0.002 0.000 0.208 460 L C 2.658 179.721 176.870 0.321 0.000 1.085 460 L CA 1.884 56.838 54.840 0.191 0.000 0.755 460 L CB -1.230 40.889 42.059 0.101 0.000 0.904 460 L HN 0.049 nan 8.230 nan 0.000 0.435 461 G N -0.468 108.532 108.800 0.333 0.000 2.421 461 G HA2 -0.282 3.680 3.960 0.002 0.000 0.216 461 G HA3 -0.282 3.680 3.960 0.002 0.000 0.216 461 G C 1.647 176.712 174.900 0.275 0.000 1.171 461 G CA 0.531 45.829 45.100 0.330 0.000 0.775 461 G HN 0.282 nan 8.290 nan 0.000 0.543 462 R N 0.317 120.925 120.500 0.181 0.000 2.083 462 R HA -0.042 4.299 4.340 0.002 0.000 0.237 462 R C 2.714 179.080 176.300 0.109 0.000 1.137 462 R CA 1.615 57.777 56.100 0.104 0.000 0.951 462 R CB -0.228 30.107 30.300 0.057 0.000 0.851 462 R HN 0.293 nan 8.270 nan 0.000 0.434 463 K N -0.411 120.095 120.400 0.176 0.000 2.103 463 K HA -0.195 4.126 4.320 0.002 0.000 0.207 463 K C 1.881 178.624 176.600 0.239 0.000 1.048 463 K CA 1.508 57.929 56.287 0.223 0.000 0.930 463 K CB -0.285 32.398 32.500 0.306 0.000 0.716 463 K HN 0.084 nan 8.250 nan 0.000 0.444 464 F N 2.056 122.079 119.950 0.123 0.000 2.031 464 F HA -0.197 4.332 4.527 0.002 0.000 0.295 464 F C 1.828 177.432 175.800 -0.327 0.000 1.133 464 F CA 1.384 59.230 58.000 -0.257 0.000 1.188 464 F CB -0.668 38.261 39.000 -0.118 0.000 0.974 464 F HN -0.134 nan 8.300 nan 0.000 0.473 465 L N -0.217 120.779 121.223 -0.377 0.000 2.010 465 L HA -0.290 4.052 4.340 0.002 0.000 0.219 465 L C 2.536 179.164 176.870 -0.403 0.000 1.077 465 L CA 1.580 56.146 54.840 -0.455 0.000 0.773 465 L CB -1.169 40.798 42.059 -0.153 0.000 0.892 465 L HN 0.333 nan 8.230 nan 0.000 0.436 466 L N -0.323 120.754 121.223 -0.243 0.000 1.944 466 L HA -0.302 4.039 4.340 0.002 0.000 0.218 466 L C 2.793 179.488 176.870 -0.291 0.000 1.075 466 L CA 1.974 56.692 54.840 -0.204 0.000 0.767 466 L CB -0.791 41.208 42.059 -0.100 0.000 0.890 466 L HN 0.321 nan 8.230 nan 0.000 0.434 467 Q N -0.324 119.285 119.800 -0.319 0.000 2.112 467 Q HA -0.228 4.114 4.340 0.002 0.000 0.206 467 Q C 2.002 177.696 176.000 -0.510 0.000 0.987 467 Q CA 2.325 57.889 55.803 -0.399 0.000 0.858 467 Q CB -0.400 28.004 28.738 -0.556 0.000 0.905 467 Q HN 0.738 nan 8.270 nan 0.000 0.420 468 S N -1.232 114.042 115.700 -0.710 0.000 2.727 468 S HA 0.154 4.626 4.470 0.002 0.000 0.226 468 S C 1.432 175.780 174.600 -0.420 0.000 0.963 468 S CA 0.823 58.647 58.200 -0.627 0.000 0.950 468 S CB -0.267 62.332 63.200 -1.003 0.000 0.779 468 S HN 0.641 nan 8.310 nan 0.000 0.532 469 G N 0.748 109.268 108.800 -0.466 0.000 3.019 469 G HA2 -0.371 3.591 3.960 0.002 0.000 0.231 469 G HA3 -0.371 3.591 3.960 0.002 0.000 0.231 469 G C 0.074 174.604 174.900 -0.616 0.000 1.225 469 G CA 1.169 45.909 45.100 -0.600 0.000 0.845 469 G HN 0.691 nan 8.290 nan 0.000 0.527 470 Y N 0.000 120.156 120.300 -0.240 0.000 2.660 470 Y HA 0.000 4.551 4.550 0.002 0.000 0.201 470 Y CA 0.000 57.989 58.100 -0.184 0.000 1.940 470 Y CB 0.000 38.379 38.460 -0.135 0.000 1.050 470 Y HN 0.000 nan 8.280 nan 0.000 0.758