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 3l63_1_A DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPFIP REAGEAYDFI PTSMDPPEQR DATA SEQUENCE QFRALANQVV GMPVVDKLEN RIQELACSLI ESLRPQGQCN FTEDYAEPFP DATA SEQUENCE IRIFMLLAGL PEEDIPHLKY LTDQMTRPDG SMTFAEAKEA LYDYLIPIIE DATA SEQUENCE QRRQKPGTDA ISIVANGQVN GRPITSDEAK RMCGLLLVGG LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIERPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENAAPMHVD FSRQKVSHTT FGHGSHLCLG DATA SEQUENCE QHLARREIIV TLKEWLTRIP DFSIAPGAQI QHKSGIVSGV QALPLVWDPA DATA SEQUENCE TTKAV 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 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.491 175.510 -0.031 0.000 1.280 10 N CA 0.000 53.032 53.050 -0.030 0.000 0.885 10 N CB 0.000 38.475 38.487 -0.019 0.000 1.341 11 L N 2.171 123.378 121.223 -0.028 0.000 2.257 11 L HA 0.764 5.118 4.340 0.024 0.000 0.290 11 L C 0.835 177.707 176.870 0.003 0.000 1.044 11 L CA -1.073 53.753 54.840 -0.023 0.000 0.810 11 L CB 1.319 43.361 42.059 -0.029 0.000 1.193 11 L HN 0.686 nan 8.230 nan 0.000 0.425 12 A N 5.591 128.423 122.820 0.021 0.000 2.477 12 A HA 0.457 4.792 4.320 0.024 0.000 0.246 12 A C -2.198 175.428 177.584 0.070 0.000 1.078 12 A CA -1.046 51.022 52.037 0.052 0.000 0.770 12 A CB -0.423 18.625 19.000 0.080 0.000 1.011 12 A HN 0.465 nan 8.150 nan 0.000 0.494 13 P HA 0.064 nan 4.420 nan 0.000 0.262 13 P C -0.261 177.050 177.300 0.020 0.000 1.182 13 P CA -0.154 62.961 63.100 0.025 0.000 0.761 13 P CB 0.239 31.947 31.700 0.013 0.000 0.795 14 L N 7.334 128.541 121.223 -0.027 0.000 2.615 14 L HA 0.146 4.500 4.340 0.024 0.000 0.271 14 L C -2.008 174.726 176.870 -0.227 0.000 1.183 14 L CA -1.175 53.577 54.840 -0.146 0.000 0.933 14 L CB -0.800 41.158 42.059 -0.168 0.000 1.199 14 L HN 0.327 nan 8.230 nan 0.000 0.487 15 P HA 0.122 nan 4.420 nan 0.000 0.268 15 P C -2.056 175.069 177.300 -0.292 0.000 1.205 15 P CA -0.917 62.010 63.100 -0.288 0.000 0.771 15 P CB 0.067 31.544 31.700 -0.372 0.000 0.858 16 P HA -0.189 nan 4.420 nan 0.000 0.221 16 P C 1.048 178.314 177.300 -0.057 0.000 1.145 16 P CA 1.512 64.570 63.100 -0.070 0.000 0.795 16 P CB -0.428 31.268 31.700 -0.006 0.000 0.775 17 H N -1.480 117.509 119.070 -0.134 0.000 2.551 17 H HA 0.135 4.705 4.556 0.024 0.000 0.266 17 H C -0.061 175.214 175.328 -0.089 0.000 0.977 17 H CA 0.097 56.096 56.048 -0.080 0.000 1.163 17 H CB -0.678 29.069 29.762 -0.025 0.000 1.381 17 H HN -0.095 nan 8.280 nan 0.000 0.581 18 V N 4.480 124.034 119.914 -0.601 0.000 2.364 18 V HA 0.233 4.367 4.120 0.024 0.000 0.272 18 V C -2.084 173.818 176.094 -0.321 0.000 1.036 18 V CA -1.730 60.235 62.300 -0.558 0.000 0.880 18 V CB 1.345 32.497 31.823 -1.119 0.000 0.991 18 V HN 0.199 nan 8.190 nan 0.000 0.460 19 P HA 0.217 nan 4.420 nan 0.000 0.271 19 P C 0.770 177.901 177.300 -0.282 0.000 1.216 19 P CA -0.214 62.736 63.100 -0.250 0.000 0.776 19 P CB 0.899 32.360 31.700 -0.399 0.000 0.881 20 E N 1.071 121.175 120.200 -0.161 0.000 2.160 20 E HA -0.235 4.130 4.350 0.024 0.000 0.195 20 E C 1.539 178.118 176.600 -0.035 0.000 0.991 20 E CA 1.015 57.367 56.400 -0.079 0.000 0.810 20 E CB -0.225 29.468 29.700 -0.012 0.000 0.742 20 E HN 0.677 nan 8.360 nan 0.000 0.466 21 H N -0.382 118.710 119.070 0.038 0.000 2.559 21 H HA 0.022 4.593 4.556 0.025 0.000 0.273 21 H C 1.614 176.994 175.328 0.088 0.000 1.000 21 H CA 0.444 56.526 56.048 0.055 0.000 1.195 21 H CB -0.056 29.730 29.762 0.041 0.000 1.368 21 H HN 0.183 nan 8.280 nan 0.000 0.592 22 L N 1.379 122.521 121.223 -0.134 0.000 2.607 22 L HA 0.173 4.527 4.340 0.024 0.000 0.228 22 L C 0.234 177.193 176.870 0.148 0.000 1.123 22 L CA -0.238 54.639 54.840 0.061 0.000 0.890 22 L CB 0.664 42.781 42.059 0.096 0.000 1.103 22 L HN -0.002 nan 8.230 nan 0.000 0.468 23 V N 0.800 120.778 119.914 0.107 0.000 2.508 23 V HA 0.054 4.189 4.120 0.024 0.000 0.281 23 V C -0.569 175.653 176.094 0.213 0.000 1.041 23 V CA 0.225 62.612 62.300 0.145 0.000 1.016 23 V CB 0.873 32.742 31.823 0.077 0.000 0.984 23 V HN 0.085 nan 8.190 nan 0.000 0.478 24 F N 3.760 123.726 119.950 0.026 0.000 2.831 24 F HA 0.397 4.938 4.527 0.023 0.000 0.346 24 F C -0.019 175.769 175.800 -0.020 0.000 1.224 24 F CA -0.710 57.295 58.000 0.009 0.000 1.048 24 F CB 1.496 40.503 39.000 0.012 0.000 1.339 24 F HN 0.503 nan 8.300 nan 0.000 0.514 25 D N 6.706 126.862 120.400 -0.407 0.000 2.688 25 D HA 0.021 4.676 4.640 0.024 0.000 0.228 25 D C -0.333 175.802 176.300 -0.275 0.000 1.116 25 D CA 0.309 54.141 54.000 -0.280 0.000 1.023 25 D CB -0.108 40.550 40.800 -0.235 0.000 1.100 25 D HN 0.280 nan 8.370 nan 0.000 0.487 26 F N 1.824 121.605 119.950 -0.282 0.000 2.456 26 F HA 0.103 4.643 4.527 0.022 0.000 0.358 26 F C 0.485 176.152 175.800 -0.220 0.000 1.095 26 F CA -0.614 57.263 58.000 -0.205 0.000 1.216 26 F CB 0.818 39.792 39.000 -0.043 0.000 1.125 26 F HN -0.116 nan 8.300 nan 0.000 0.549 27 D N 7.330 127.253 120.400 -0.796 0.000 2.443 27 D HA 0.097 4.752 4.640 0.024 0.000 0.221 27 D C 0.918 176.685 176.300 -0.888 0.000 1.097 27 D CA -0.441 53.211 54.000 -0.580 0.000 0.865 27 D CB 0.909 41.498 40.800 -0.352 0.000 1.034 27 D HN 0.746 nan 8.370 nan 0.000 0.511 28 M N 2.027 121.286 119.600 -0.568 0.000 2.460 28 M HA -0.084 4.411 4.480 0.024 0.000 0.263 28 M C 0.198 176.272 176.300 -0.376 0.000 1.071 28 M CA 1.213 56.202 55.300 -0.519 0.000 1.096 28 M CB -0.152 32.353 32.600 -0.158 0.000 1.408 28 M HN 0.191 nan 8.290 nan 0.000 0.463 29 Y N 0.194 120.429 120.300 -0.109 0.000 2.462 29 Y HA 0.276 4.839 4.550 0.020 0.000 0.261 29 Y C 0.405 176.272 175.900 -0.056 0.000 1.146 29 Y CA -0.104 57.982 58.100 -0.022 0.000 1.283 29 Y CB 0.417 38.871 38.460 -0.009 0.000 1.090 29 Y HN 0.430 nan 8.280 nan 0.000 0.526 30 N N 0.280 118.946 118.700 -0.056 0.000 2.732 30 N HA 0.150 4.904 4.740 0.024 0.000 0.230 30 N C -3.315 172.056 175.510 -0.230 0.000 1.487 30 N CA -1.575 51.427 53.050 -0.079 0.000 0.765 30 N CB 0.795 39.261 38.487 -0.035 0.000 1.384 30 N HN -0.211 nan 8.380 nan 0.000 0.530 31 P HA 0.174 nan 4.420 nan 0.000 0.275 31 P C 0.615 177.789 177.300 -0.210 0.000 1.228 31 P CA -0.124 62.679 63.100 -0.496 0.000 0.786 31 P CB 1.303 32.662 31.700 -0.568 0.000 0.927 32 S N 1.412 117.002 115.700 -0.184 0.000 2.374 32 S HA -0.196 4.288 4.470 0.024 0.000 0.227 32 S C 1.389 175.976 174.600 -0.021 0.000 1.037 32 S CA 1.782 59.931 58.200 -0.084 0.000 1.024 32 S CB -0.681 62.479 63.200 -0.066 0.000 0.861 32 S HN 0.613 nan 8.310 nan 0.000 0.456 33 N N 0.739 119.451 118.700 0.020 0.000 2.376 33 N HA 0.178 4.932 4.740 0.024 0.000 0.249 33 N C 0.821 176.372 175.510 0.069 0.000 1.140 33 N CA -0.134 52.947 53.050 0.051 0.000 0.870 33 N CB -0.154 38.380 38.487 0.079 0.000 1.124 33 N HN 0.131 nan 8.380 nan 0.000 0.505 34 L N 0.389 121.648 121.223 0.058 0.000 2.129 34 L HA -0.144 4.211 4.340 0.024 0.000 0.212 34 L C 2.088 179.004 176.870 0.077 0.000 1.087 34 L CA 1.868 56.767 54.840 0.098 0.000 0.757 34 L CB -1.016 41.094 42.059 0.086 0.000 0.896 34 L HN 0.367 nan 8.230 nan 0.000 0.434 35 S N -0.998 114.727 115.700 0.041 0.000 2.442 35 S HA -0.102 4.382 4.470 0.024 0.000 0.236 35 S C 1.951 176.550 174.600 -0.002 0.000 1.007 35 S CA 0.745 58.951 58.200 0.011 0.000 0.965 35 S CB -0.827 62.380 63.200 0.011 0.000 0.773 35 S HN 0.495 nan 8.310 nan 0.000 0.504 36 A N 1.088 123.926 122.820 0.031 0.000 2.208 36 A HA 0.565 4.900 4.320 0.024 0.000 0.209 36 A C 1.208 178.822 177.584 0.050 0.000 1.161 36 A CA 0.423 52.484 52.037 0.039 0.000 0.782 36 A CB -0.809 18.227 19.000 0.060 0.000 0.816 36 A HN 1.616 nan 8.150 nan 0.000 0.477 37 G N -2.442 106.388 108.800 0.050 0.000 2.627 37 G HA2 0.114 4.089 3.960 0.024 0.000 0.680 37 G HA3 0.114 4.089 3.960 0.024 0.000 0.680 37 G C 0.345 175.451 174.900 0.343 0.000 1.341 37 G CA -0.175 45.019 45.100 0.156 0.000 0.835 37 G HN 0.805 nan 8.290 nan 0.000 0.643 38 V N 1.363 121.646 119.914 0.614 0.000 2.358 38 V HA -0.132 4.003 4.120 0.024 0.000 0.246 38 V C 2.682 178.983 176.094 0.345 0.000 1.047 38 V CA 3.296 65.862 62.300 0.444 0.000 1.035 38 V CB -0.293 31.776 31.823 0.411 0.000 0.658 38 V HN 0.798 nan 8.190 nan 0.000 0.452 39 Q N 0.049 119.936 119.800 0.144 0.000 2.084 39 Q HA -0.223 4.132 4.340 0.024 0.000 0.202 39 Q C 2.082 178.166 176.000 0.141 0.000 0.978 39 Q CA 2.230 58.059 55.803 0.044 0.000 0.844 39 Q CB -0.333 28.336 28.738 -0.114 0.000 0.898 39 Q HN 0.692 nan 8.270 nan 0.000 0.426 40 E N 0.266 120.556 120.200 0.150 0.000 2.085 40 E HA -0.172 4.193 4.350 0.024 0.000 0.194 40 E C 1.838 178.546 176.600 0.180 0.000 0.994 40 E CA 1.329 57.809 56.400 0.134 0.000 0.801 40 E CB -0.382 29.389 29.700 0.118 0.000 0.743 40 E HN 0.417 nan 8.360 nan 0.000 0.453 41 A N -0.121 122.847 122.820 0.246 0.000 1.902 41 A HA -0.165 4.169 4.320 0.024 0.000 0.217 41 A C 1.798 179.580 177.584 0.330 0.000 1.181 41 A CA 1.314 53.504 52.037 0.255 0.000 0.623 41 A CB -0.968 18.175 19.000 0.239 0.000 0.818 41 A HN 0.366 nan 8.150 nan 0.000 0.443 42 W N -0.346 121.073 121.300 0.199 0.000 2.402 42 W HA 0.109 4.781 4.660 0.020 0.000 0.286 42 W C 2.609 179.095 176.519 -0.055 0.000 1.221 42 W CA 1.082 58.489 57.345 0.104 0.000 1.257 42 W CB -0.300 29.183 29.460 0.039 0.000 1.120 42 W HN 0.354 nan 8.180 nan 0.000 0.551 43 A N -0.096 122.837 122.820 0.188 0.000 2.178 43 A HA -0.079 4.256 4.320 0.024 0.000 0.218 43 A C 1.922 179.515 177.584 0.014 0.000 1.157 43 A CA 1.446 53.518 52.037 0.058 0.000 0.689 43 A CB -0.843 18.179 19.000 0.037 0.000 0.787 43 A HN 0.105 nan 8.150 nan 0.000 0.465 44 V N -0.089 119.858 119.914 0.056 0.000 2.568 44 V HA -0.264 3.870 4.120 0.024 0.000 0.253 44 V C 2.342 178.378 176.094 -0.096 0.000 1.072 44 V CA 1.859 64.189 62.300 0.050 0.000 1.084 44 V CB -0.714 31.218 31.823 0.182 0.000 0.676 44 V HN 0.644 nan 8.190 nan 0.000 0.469 45 L N -0.614 120.488 121.223 -0.202 0.000 2.456 45 L HA -0.152 4.202 4.340 0.024 0.000 0.224 45 L C 2.114 178.801 176.870 -0.305 0.000 1.148 45 L CA 1.225 55.824 54.840 -0.403 0.000 0.825 45 L CB -0.332 41.462 42.059 -0.442 0.000 0.937 45 L HN 0.409 nan 8.230 nan 0.000 0.450 46 Q N -0.761 118.930 119.800 -0.182 0.000 2.219 46 Q HA 0.125 4.480 4.340 0.024 0.000 0.209 46 Q C -0.049 175.884 176.000 -0.112 0.000 0.854 46 Q CA -0.185 55.536 55.803 -0.137 0.000 0.960 46 Q CB 0.586 29.268 28.738 -0.093 0.000 1.116 46 Q HN 0.468 nan 8.270 nan 0.000 0.500 47 E N 0.610 120.738 120.200 -0.120 0.000 2.409 47 E HA -0.011 4.353 4.350 0.024 0.000 0.257 47 E C 0.871 177.420 176.600 -0.085 0.000 1.150 47 E CA 0.311 56.664 56.400 -0.077 0.000 0.942 47 E CB 0.754 30.427 29.700 -0.045 0.000 0.979 47 E HN 0.167 nan 8.360 nan 0.000 0.447 48 S N 1.416 117.086 115.700 -0.051 0.000 2.469 48 S HA -0.179 4.306 4.470 0.024 0.000 0.238 48 S C 1.210 175.785 174.600 -0.041 0.000 0.998 48 S CA 1.181 59.354 58.200 -0.044 0.000 0.957 48 S CB -0.275 62.909 63.200 -0.026 0.000 0.764 48 S HN 0.622 nan 8.310 nan 0.000 0.514 49 N N 1.305 119.983 118.700 -0.036 0.000 2.461 49 N HA 0.011 4.766 4.740 0.024 0.000 0.188 49 N C -0.163 175.316 175.510 -0.052 0.000 1.134 49 N CA 0.144 53.186 53.050 -0.012 0.000 0.878 49 N CB -0.153 38.360 38.487 0.044 0.000 0.972 49 N HN 0.381 nan 8.380 nan 0.000 0.456 50 V N 1.985 121.808 119.914 -0.152 0.000 2.384 50 V HA 0.383 4.517 4.120 0.024 0.000 0.287 50 V C -2.099 173.897 176.094 -0.163 0.000 1.020 50 V CA -1.672 60.464 62.300 -0.273 0.000 0.850 50 V CB 1.465 32.935 31.823 -0.589 0.000 0.987 50 V HN -0.024 nan 8.190 nan 0.000 0.436 51 P HA 0.134 nan 4.420 nan 0.000 0.272 51 P C 0.191 177.448 177.300 -0.072 0.000 1.248 51 P CA -0.148 62.929 63.100 -0.038 0.000 0.799 51 P CB 0.676 32.404 31.700 0.047 0.000 0.997 52 D N -0.772 119.590 120.400 -0.062 0.000 2.323 52 D HA 0.057 4.712 4.640 0.024 0.000 0.209 52 D C 0.150 176.416 176.300 -0.058 0.000 0.973 52 D CA 0.968 54.914 54.000 -0.091 0.000 0.874 52 D CB -0.040 40.684 40.800 -0.128 0.000 0.930 52 D HN 0.028 nan 8.370 nan 0.000 0.521 53 L N 1.179 122.404 121.223 0.004 0.000 2.446 53 L HA 0.331 4.685 4.340 0.024 0.000 0.268 53 L C -0.835 176.175 176.870 0.233 0.000 0.975 53 L CA -1.043 53.855 54.840 0.095 0.000 0.848 53 L CB 1.639 43.719 42.059 0.036 0.000 1.225 53 L HN -0.176 nan 8.230 nan 0.000 0.410 54 V N 1.557 121.656 119.914 0.309 0.000 3.074 54 V HA 0.680 4.815 4.120 0.024 0.000 0.314 54 V C -1.284 175.078 176.094 0.445 0.000 1.117 54 V CA -0.814 61.696 62.300 0.350 0.000 1.014 54 V CB 2.163 34.096 31.823 0.183 0.000 1.057 54 V HN 0.893 nan 8.190 nan 0.000 0.438 55 W N 2.291 123.604 121.300 0.022 0.000 2.417 55 W HA 0.622 5.293 4.660 0.019 0.000 0.315 55 W C -0.723 175.656 176.519 -0.233 0.000 1.045 55 W CA -0.210 56.928 57.345 -0.345 0.000 1.221 55 W CB 1.859 30.873 29.460 -0.743 0.000 1.309 55 W HN 0.870 nan 8.180 nan 0.000 0.453 56 T N 5.274 119.370 114.554 -0.763 0.000 2.837 56 T HA 0.342 4.707 4.350 0.024 0.000 0.285 56 T C 1.061 175.273 174.700 -0.814 0.000 0.984 56 T CA -0.348 61.387 62.100 -0.608 0.000 1.049 56 T CB 1.055 69.617 68.868 -0.509 0.000 0.947 56 T HN 0.630 nan 8.240 nan 0.000 0.472 57 R N 2.010 122.318 120.500 -0.321 0.000 2.297 57 R HA 0.182 4.537 4.340 0.024 0.000 0.197 57 R C 0.606 176.811 176.300 -0.158 0.000 0.943 57 R CA -0.162 55.852 56.100 -0.142 0.000 1.038 57 R CB -0.264 30.047 30.300 0.018 0.000 0.957 57 R HN 0.555 nan 8.270 nan 0.000 0.484 58 C N 1.301 120.475 119.300 -0.211 0.000 2.656 58 C HA 0.107 4.581 4.460 0.024 0.000 0.391 58 C C 0.878 175.837 174.990 -0.052 0.000 1.300 58 C CA -0.419 58.527 59.018 -0.121 0.000 2.302 58 C CB -0.021 27.642 27.740 -0.127 0.000 2.655 58 C HN 0.685 nan 8.230 nan 0.000 0.656 59 N N 0.435 119.144 118.700 0.016 0.000 2.735 59 N HA -0.151 4.604 4.740 0.024 0.000 0.248 59 N C 0.725 176.280 175.510 0.076 0.000 1.083 59 N CA 0.924 54.022 53.050 0.081 0.000 0.703 59 N CB -1.185 37.417 38.487 0.191 0.000 1.005 59 N HN 1.382 nan 8.380 nan 0.000 0.550 60 G N -1.845 106.974 108.800 0.033 0.000 2.241 60 G HA2 0.106 4.080 3.960 0.024 0.000 0.244 60 G HA3 0.106 4.080 3.960 0.024 0.000 0.244 60 G C 0.543 175.465 174.900 0.036 0.000 0.998 60 G CA 0.340 45.467 45.100 0.044 0.000 0.621 60 G HN 1.605 nan 8.290 nan 0.000 0.519 61 G N -0.734 108.012 108.800 -0.089 0.000 3.209 61 G HA2 0.589 4.563 3.960 0.024 0.000 0.686 61 G HA3 0.589 4.563 3.960 0.024 0.000 0.686 61 G C -0.576 173.861 174.900 -0.772 0.000 1.065 61 G CA 0.583 45.431 45.100 -0.420 0.000 0.812 61 G HN 2.820 nan 8.290 nan 0.000 0.573 62 H N -1.643 116.452 119.070 -1.626 0.000 3.024 62 H HA 0.649 5.220 4.556 0.026 0.000 0.324 62 H C -0.570 174.117 175.328 -1.069 0.000 1.347 62 H CA -1.600 53.746 56.048 -1.169 0.000 1.182 62 H CB 0.145 29.676 29.762 -0.386 0.000 1.889 62 H HN 0.670 nan 8.280 nan 0.000 0.528 63 W N 1.043 122.282 121.300 -0.101 0.000 2.161 63 W HA 0.577 5.247 4.660 0.017 0.000 0.344 63 W C -0.222 176.369 176.519 0.119 0.000 1.262 63 W CA -0.451 56.956 57.345 0.104 0.000 1.270 63 W CB 0.684 30.307 29.460 0.271 0.000 1.126 63 W HN 0.450 nan 8.180 nan 0.000 0.598 64 I N 2.173 122.956 120.570 0.354 0.000 2.534 64 I HA 0.440 4.625 4.170 0.024 0.000 0.288 64 I C -0.361 175.845 176.117 0.149 0.000 1.077 64 I CA -1.244 60.180 61.300 0.207 0.000 1.051 64 I CB 1.560 39.609 38.000 0.081 0.000 1.234 64 I HN 0.427 nan 8.210 nan 0.000 0.425 65 A N 2.926 125.792 122.820 0.076 0.000 2.290 65 A HA 0.571 4.906 4.320 0.024 0.000 0.310 65 A C 0.791 178.355 177.584 -0.033 0.000 1.202 65 A CA -0.208 51.835 52.037 0.011 0.000 0.837 65 A CB 0.525 19.509 19.000 -0.027 0.000 1.139 65 A HN 0.866 nan 8.150 nan 0.000 0.509 66 T N -0.439 114.075 114.554 -0.068 0.000 3.040 66 T HA 0.230 4.595 4.350 0.024 0.000 0.250 66 T C 0.550 175.196 174.700 -0.091 0.000 1.058 66 T CA -0.039 62.004 62.100 -0.096 0.000 0.988 66 T CB 0.041 68.823 68.868 -0.143 0.000 0.993 66 T HN 0.499 nan 8.240 nan 0.000 0.519 67 R N 0.431 120.875 120.500 -0.094 0.000 2.670 67 R HA 0.589 4.944 4.340 0.024 0.000 0.289 67 R C 1.534 177.780 176.300 -0.089 0.000 0.965 67 R CA -0.351 55.691 56.100 -0.097 0.000 0.899 67 R CB 1.113 31.341 30.300 -0.120 0.000 1.173 67 R HN 0.222 nan 8.270 nan 0.000 0.456 68 G N 1.221 109.973 108.800 -0.080 0.000 2.505 68 G HA2 -0.365 3.610 3.960 0.024 0.000 0.220 68 G HA3 -0.365 3.610 3.960 0.024 0.000 0.220 68 G C 1.131 175.976 174.900 -0.092 0.000 1.145 68 G CA 1.052 46.104 45.100 -0.080 0.000 0.761 68 G HN 0.525 nan 8.290 nan 0.000 0.571 69 Q N 0.143 119.888 119.800 -0.091 0.000 2.050 69 Q HA 0.010 4.364 4.340 0.024 0.000 0.202 69 Q C 2.537 178.490 176.000 -0.078 0.000 0.980 69 Q CA 1.301 57.055 55.803 -0.082 0.000 0.840 69 Q CB -0.405 28.278 28.738 -0.091 0.000 0.898 69 Q HN 0.521 nan 8.270 nan 0.000 0.424 70 L N -0.501 120.646 121.223 -0.126 0.000 2.056 70 L HA -0.106 4.248 4.340 0.024 0.000 0.207 70 L C 2.369 179.222 176.870 -0.029 0.000 1.078 70 L CA 0.859 55.645 54.840 -0.089 0.000 0.749 70 L CB -0.439 41.523 42.059 -0.162 0.000 0.901 70 L HN 0.282 nan 8.230 nan 0.000 0.433 71 I N -0.256 120.266 120.570 -0.081 0.000 2.179 71 I HA -0.276 3.909 4.170 0.024 0.000 0.242 71 I C 2.795 178.889 176.117 -0.038 0.000 1.088 71 I CA 1.291 62.527 61.300 -0.107 0.000 1.357 71 I CB -0.244 37.737 38.000 -0.032 0.000 1.051 71 I HN 0.165 nan 8.210 nan 0.000 0.409 72 R N 0.406 120.864 120.500 -0.069 0.000 2.073 72 R HA -0.227 4.127 4.340 0.024 0.000 0.234 72 R C 2.272 178.638 176.300 0.111 0.000 1.134 72 R CA 1.785 57.783 56.100 -0.169 0.000 0.952 72 R CB -0.427 29.624 30.300 -0.416 0.000 0.850 72 R HN 0.405 nan 8.270 nan 0.000 0.433 73 E N 0.571 120.839 120.200 0.114 0.000 2.058 73 E HA -0.219 4.146 4.350 0.024 0.000 0.194 73 E C 1.944 178.666 176.600 0.204 0.000 0.997 73 E CA 1.356 57.897 56.400 0.236 0.000 0.801 73 E CB -0.055 29.858 29.700 0.355 0.000 0.746 73 E HN 0.393 nan 8.360 nan 0.000 0.450 74 A N -0.082 122.716 122.820 -0.038 0.000 1.930 74 A HA -0.155 4.179 4.320 0.024 0.000 0.217 74 A C 1.835 179.294 177.584 -0.208 0.000 1.175 74 A CA 1.182 52.897 52.037 -0.537 0.000 0.627 74 A CB -0.757 17.472 19.000 -1.285 0.000 0.815 74 A HN 0.407 nan 8.150 nan 0.000 0.443 75 Y N 0.417 120.737 120.300 0.033 0.000 2.421 75 Y HA -0.071 4.491 4.550 0.019 0.000 0.292 75 Y C 2.303 178.357 175.900 0.256 0.000 1.136 75 Y CA 1.193 59.393 58.100 0.167 0.000 1.255 75 Y CB -0.238 38.352 38.460 0.216 0.000 0.991 75 Y HN 0.478 nan 8.280 nan 0.000 0.552 76 E N -0.804 119.638 120.200 0.404 0.000 2.158 76 E HA -0.125 4.239 4.350 0.024 0.000 0.191 76 E C 0.366 177.128 176.600 0.271 0.000 0.982 76 E CA 0.700 57.293 56.400 0.321 0.000 0.823 76 E CB 0.074 29.943 29.700 0.282 0.000 0.766 76 E HN 0.145 nan 8.360 nan 0.000 0.468 77 D N 0.264 120.827 120.400 0.272 0.000 2.631 77 D HA -0.022 4.632 4.640 0.024 0.000 0.227 77 D C 0.521 176.924 176.300 0.172 0.000 1.146 77 D CA -0.383 53.720 54.000 0.171 0.000 1.009 77 D CB -0.182 40.800 40.800 0.304 0.000 1.057 77 D HN 0.184 nan 8.370 nan 0.000 0.509 78 Y N 0.862 121.265 120.300 0.171 0.000 2.421 78 Y HA 0.064 4.626 4.550 0.019 0.000 0.292 78 Y C 1.843 177.758 175.900 0.025 0.000 1.136 78 Y CA 0.440 58.630 58.100 0.149 0.000 1.255 78 Y CB -0.367 38.186 38.460 0.155 0.000 0.991 78 Y HN 0.040 nan 8.280 nan 0.000 0.552 79 R N -0.194 120.025 120.500 -0.467 0.000 2.096 79 R HA -0.119 4.236 4.340 0.024 0.000 0.235 79 R C 1.510 177.519 176.300 -0.484 0.000 1.127 79 R CA 2.046 57.884 56.100 -0.436 0.000 0.968 79 R CB -0.448 29.492 30.300 -0.599 0.000 0.861 79 R HN 0.577 nan 8.270 nan 0.000 0.440 80 H N -2.028 116.782 119.070 -0.432 0.000 2.486 80 H HA 0.104 4.674 4.556 0.023 0.000 0.287 80 H C -0.231 174.697 175.328 -0.666 0.000 1.010 80 H CA 0.323 55.933 56.048 -0.730 0.000 1.324 80 H CB 0.462 29.397 29.762 -1.378 0.000 1.446 80 H HN -0.033 nan 8.280 nan 0.000 0.537 81 F N 1.016 120.966 119.950 0.000 0.000 2.359 81 F HA 0.291 4.830 4.527 0.020 0.000 0.370 81 F C 0.156 176.006 175.800 0.084 0.000 1.077 81 F CA -0.741 57.269 58.000 0.016 0.000 1.136 81 F CB 1.214 40.186 39.000 -0.048 0.000 1.387 81 F HN -0.115 nan 8.300 nan 0.000 0.468 82 S N 0.916 116.738 115.700 0.202 0.000 2.562 82 S HA 0.240 4.724 4.470 0.024 0.000 0.275 82 S C 1.118 175.805 174.600 0.145 0.000 1.281 82 S CA -0.281 58.025 58.200 0.176 0.000 1.045 82 S CB 0.849 64.117 63.200 0.113 0.000 0.962 82 S HN 0.622 nan 8.310 nan 0.000 0.503 83 S N 2.887 118.660 115.700 0.122 0.000 2.631 83 S HA 0.010 4.494 4.470 0.024 0.000 0.217 83 S C 1.338 175.932 174.600 -0.009 0.000 0.958 83 S CA 0.361 58.562 58.200 0.000 0.000 0.920 83 S CB -0.419 62.666 63.200 -0.191 0.000 0.776 83 S HN 0.897 nan 8.310 nan 0.000 0.517 84 E N -0.029 120.197 120.200 0.044 0.000 2.153 84 E HA -0.149 4.216 4.350 0.024 0.000 0.194 84 E C 0.517 177.125 176.600 0.012 0.000 0.988 84 E CA 0.915 57.340 56.400 0.043 0.000 0.811 84 E CB -0.290 29.442 29.700 0.054 0.000 0.746 84 E HN 0.482 nan 8.360 nan 0.000 0.466 85 C N 2.597 121.893 119.300 -0.006 0.000 3.002 85 C HA 0.396 4.871 4.460 0.024 0.000 0.248 85 C C -2.008 172.952 174.990 -0.050 0.000 1.153 85 C CA -1.528 57.472 59.018 -0.030 0.000 1.502 85 C CB 0.956 28.706 27.740 0.015 0.000 1.805 85 C HN 0.282 nan 8.230 nan 0.000 0.450 86 P HA 0.194 nan 4.420 nan 0.000 0.257 86 P C -0.095 177.304 177.300 0.166 0.000 1.241 86 P CA 0.328 63.378 63.100 -0.084 0.000 0.816 86 P CB 0.350 31.872 31.700 -0.296 0.000 1.150 87 F N 0.379 120.185 119.950 -0.239 0.000 2.522 87 F HA 0.402 4.951 4.527 0.036 0.000 0.324 87 F C 0.830 176.562 175.800 -0.114 0.000 1.077 87 F CA -2.293 55.618 58.000 -0.148 0.000 0.944 87 F CB 1.075 39.991 39.000 -0.141 0.000 1.175 87 F HN -0.296 nan 8.300 nan 0.000 0.468 88 I N 4.855 125.457 120.570 0.052 0.000 2.385 88 I HA 0.290 4.474 4.170 0.024 0.000 0.294 88 I C -2.027 174.194 176.117 0.173 0.000 0.988 88 I CA -2.445 58.856 61.300 0.001 0.000 1.265 88 I CB 1.396 39.262 38.000 -0.223 0.000 1.388 88 I HN 0.283 nan 8.210 nan 0.000 0.480 89 P HA 0.217 nan 4.420 nan 0.000 0.274 89 P C 0.642 177.950 177.300 0.013 0.000 1.256 89 P CA -0.495 62.633 63.100 0.047 0.000 0.795 89 P CB 1.151 32.867 31.700 0.027 0.000 1.038 90 R N 0.911 121.420 120.500 0.015 0.000 2.103 90 R HA -0.200 4.154 4.340 0.024 0.000 0.242 90 R C 2.215 178.503 176.300 -0.021 0.000 1.142 90 R CA 2.302 58.408 56.100 0.010 0.000 0.960 90 R CB -0.369 29.953 30.300 0.036 0.000 0.858 90 R HN 0.633 nan 8.270 nan 0.000 0.439 91 E N -0.341 119.847 120.200 -0.021 0.000 2.153 91 E HA -0.179 4.186 4.350 0.024 0.000 0.194 91 E C 1.761 178.290 176.600 -0.119 0.000 0.988 91 E CA 1.232 57.611 56.400 -0.034 0.000 0.811 91 E CB -0.230 29.469 29.700 -0.002 0.000 0.746 91 E HN 0.406 nan 8.360 nan 0.000 0.466 92 A N 1.660 124.362 122.820 -0.196 0.000 1.872 92 A HA 0.028 4.363 4.320 0.024 0.000 0.214 92 A C 2.566 179.781 177.584 -0.616 0.000 1.187 92 A CA 1.446 53.115 52.037 -0.613 0.000 0.614 92 A CB -1.289 17.470 19.000 -0.401 0.000 0.826 92 A HN 0.421 nan 8.150 nan 0.000 0.442 93 G N -0.467 108.193 108.800 -0.233 0.000 2.422 93 G HA2 -0.208 3.766 3.960 0.024 0.000 0.218 93 G HA3 -0.208 3.766 3.960 0.024 0.000 0.218 93 G C 1.428 176.262 174.900 -0.111 0.000 1.146 93 G CA 1.043 46.050 45.100 -0.154 0.000 0.769 93 G HN 0.659 nan 8.290 nan 0.000 0.547 94 E N 0.363 120.509 120.200 -0.089 0.000 2.072 94 E HA 0.033 4.398 4.350 0.024 0.000 0.190 94 E C 2.923 179.505 176.600 -0.030 0.000 0.982 94 E CA 0.682 57.060 56.400 -0.037 0.000 0.803 94 E CB -0.138 29.553 29.700 -0.015 0.000 0.755 94 E HN 0.403 nan 8.360 nan 0.000 0.453 95 A N 0.974 123.757 122.820 -0.061 0.000 1.969 95 A HA -0.152 4.183 4.320 0.024 0.000 0.218 95 A C 0.853 178.452 177.584 0.025 0.000 1.169 95 A CA 0.388 52.433 52.037 0.013 0.000 0.635 95 A CB -0.585 18.494 19.000 0.132 0.000 0.810 95 A HN 0.330 nan 8.150 nan 0.000 0.445 96 Y N 2.370 122.543 120.300 -0.210 0.000 2.804 96 Y HA 0.112 4.663 4.550 0.002 0.000 0.338 96 Y C 0.461 176.253 175.900 -0.181 0.000 1.252 96 Y CA 0.079 58.052 58.100 -0.212 0.000 1.576 96 Y CB 0.413 38.620 38.460 -0.422 0.000 1.223 96 Y HN 0.479 nan 8.280 nan 0.000 0.536 97 D N 4.153 124.327 120.400 -0.377 0.000 2.594 97 D HA 0.016 4.670 4.640 0.024 0.000 0.256 97 D C -0.537 175.619 176.300 -0.240 0.000 1.393 97 D CA -0.351 53.540 54.000 -0.182 0.000 0.797 97 D CB -1.006 39.721 40.800 -0.121 0.000 1.110 97 D HN 0.214 nan 8.370 nan 0.000 0.495 98 F N 1.229 120.969 119.950 -0.351 0.000 2.595 98 F HA 0.252 4.800 4.527 0.036 0.000 0.359 98 F C 1.223 176.992 175.800 -0.052 0.000 1.147 98 F CA -0.017 57.848 58.000 -0.225 0.000 1.341 98 F CB 0.525 39.280 39.000 -0.408 0.000 1.104 98 F HN -0.135 nan 8.300 nan 0.000 0.603 99 I N 4.340 124.998 120.570 0.147 0.000 2.441 99 I HA 0.232 4.416 4.170 0.024 0.000 0.295 99 I C -1.835 174.337 176.117 0.093 0.000 0.994 99 I CA -1.790 59.513 61.300 0.005 0.000 1.144 99 I CB 2.247 40.076 38.000 -0.285 0.000 1.314 99 I HN 0.370 nan 8.210 nan 0.000 0.445 100 P HA 0.077 nan 4.420 nan 0.000 0.255 100 P C 1.093 178.553 177.300 0.267 0.000 1.248 100 P CA 0.356 63.547 63.100 0.151 0.000 0.807 100 P CB 0.235 32.043 31.700 0.180 0.000 1.150 101 T N -0.381 114.360 114.554 0.311 0.000 2.833 101 T HA -0.128 4.237 4.350 0.024 0.000 0.269 101 T C 1.788 176.604 174.700 0.194 0.000 1.054 101 T CA 2.028 64.306 62.100 0.296 0.000 1.135 101 T CB -0.731 68.313 68.868 0.294 0.000 0.869 101 T HN 0.270 nan 8.240 nan 0.000 0.466 102 S N 0.140 116.010 115.700 0.284 0.000 2.607 102 S HA 0.221 4.705 4.470 0.024 0.000 0.224 102 S C 0.600 175.285 174.600 0.141 0.000 0.969 102 S CA -0.064 58.254 58.200 0.196 0.000 0.927 102 S CB -0.532 62.814 63.200 0.243 0.000 0.772 102 S HN 0.370 nan 8.310 nan 0.000 0.533 103 M N 1.720 121.431 119.600 0.185 0.000 2.537 103 M HA 0.518 5.013 4.480 0.024 0.000 0.324 103 M C -0.736 175.689 176.300 0.208 0.000 1.187 103 M CA -0.629 54.763 55.300 0.153 0.000 0.993 103 M CB 1.409 34.075 32.600 0.109 0.000 1.666 103 M HN 0.006 nan 8.290 nan 0.000 0.461 104 D N 1.209 121.672 120.400 0.105 0.000 2.449 104 D HA 0.519 5.174 4.640 0.024 0.000 0.250 104 D C -2.531 173.663 176.300 -0.177 0.000 1.050 104 D CA -1.363 52.627 54.000 -0.018 0.000 1.024 104 D CB 1.517 42.337 40.800 0.034 0.000 1.218 104 D HN 0.161 nan 8.370 nan 0.000 0.566 105 P HA 0.095 nan 4.420 nan 0.000 0.269 105 P C -1.761 175.446 177.300 -0.156 0.000 1.209 105 P CA -0.625 62.258 63.100 -0.362 0.000 0.776 105 P CB 0.302 31.646 31.700 -0.594 0.000 0.876 106 P HA 0.004 nan 4.420 nan 0.000 0.245 106 P C 1.211 178.495 177.300 -0.027 0.000 1.203 106 P CA 0.607 63.674 63.100 -0.055 0.000 0.792 106 P CB 0.255 31.945 31.700 -0.018 0.000 0.997 107 E N 1.330 121.538 120.200 0.014 0.000 2.097 107 E HA -0.253 4.112 4.350 0.024 0.000 0.196 107 E C 2.074 178.777 176.600 0.171 0.000 1.000 107 E CA 1.230 57.684 56.400 0.090 0.000 0.804 107 E CB -0.160 29.606 29.700 0.111 0.000 0.740 107 E HN 0.112 nan 8.360 nan 0.000 0.454 108 Q N 1.160 121.022 119.800 0.102 0.000 2.291 108 Q HA -0.188 4.167 4.340 0.024 0.000 0.205 108 Q C 1.810 177.877 176.000 0.111 0.000 0.970 108 Q CA 1.220 57.111 55.803 0.146 0.000 0.876 108 Q CB -0.297 28.448 28.738 0.011 0.000 0.935 108 Q HN 0.347 nan 8.270 nan 0.000 0.455 109 R N 0.081 120.583 120.500 0.003 0.000 2.081 109 R HA -0.080 4.275 4.340 0.024 0.000 0.235 109 R C 2.451 178.720 176.300 -0.051 0.000 1.131 109 R CA 1.396 57.474 56.100 -0.036 0.000 0.960 109 R CB -0.145 30.117 30.300 -0.063 0.000 0.856 109 R HN 0.376 nan 8.270 nan 0.000 0.436 110 Q N -0.101 119.623 119.800 -0.127 0.000 2.135 110 Q HA -0.144 4.210 4.340 0.024 0.000 0.204 110 Q C 1.982 177.797 176.000 -0.309 0.000 0.981 110 Q CA 1.561 57.194 55.803 -0.284 0.000 0.856 110 Q CB -0.135 28.322 28.738 -0.468 0.000 0.902 110 Q HN 0.333 nan 8.270 nan 0.000 0.425 111 F N 0.198 120.143 119.950 -0.007 0.000 2.234 111 F HA -0.023 4.525 4.527 0.034 0.000 0.296 111 F C 2.522 178.326 175.800 0.008 0.000 1.089 111 F CA 0.635 58.640 58.000 0.008 0.000 1.343 111 F CB -0.271 38.744 39.000 0.024 0.000 1.040 111 F HN -0.036 nan 8.300 nan 0.000 0.498 112 R N 0.313 120.906 120.500 0.156 0.000 2.091 112 R HA -0.177 4.178 4.340 0.024 0.000 0.238 112 R C 2.439 178.762 176.300 0.040 0.000 1.136 112 R CA 1.366 57.512 56.100 0.076 0.000 0.959 112 R CB -0.772 29.540 30.300 0.020 0.000 0.856 112 R HN 0.303 nan 8.270 nan 0.000 0.437 113 A N 0.937 123.760 122.820 0.004 0.000 1.902 113 A HA -0.159 4.176 4.320 0.024 0.000 0.217 113 A C 2.042 179.623 177.584 -0.005 0.000 1.181 113 A CA 1.074 53.102 52.037 -0.015 0.000 0.623 113 A CB -0.460 18.512 19.000 -0.046 0.000 0.818 113 A HN 0.249 nan 8.150 nan 0.000 0.443 114 L N -0.179 121.043 121.223 -0.002 0.000 2.046 114 L HA -0.036 4.318 4.340 0.024 0.000 0.208 114 L C 2.636 179.534 176.870 0.047 0.000 1.077 114 L CA 2.190 57.040 54.840 0.017 0.000 0.747 114 L CB -0.854 41.221 42.059 0.027 0.000 0.896 114 L HN 0.333 nan 8.230 nan 0.000 0.432 115 A N -0.598 122.267 122.820 0.075 0.000 1.972 115 A HA -0.210 4.125 4.320 0.024 0.000 0.219 115 A C 2.060 179.676 177.584 0.054 0.000 1.169 115 A CA 1.697 53.780 52.037 0.077 0.000 0.635 115 A CB -0.783 18.273 19.000 0.094 0.000 0.810 115 A HN 0.594 nan 8.150 nan 0.000 0.446 116 N N 0.045 118.769 118.700 0.040 0.000 2.289 116 N HA -0.148 4.606 4.740 0.024 0.000 0.184 116 N C 1.714 177.234 175.510 0.017 0.000 1.016 116 N CA 1.325 54.393 53.050 0.029 0.000 0.872 116 N CB -0.361 38.136 38.487 0.018 0.000 0.973 116 N HN 0.691 nan 8.380 nan 0.000 0.433 117 Q N -0.188 119.619 119.800 0.012 0.000 2.364 117 Q HA -0.034 4.320 4.340 0.024 0.000 0.207 117 Q C 1.852 177.855 176.000 0.005 0.000 0.970 117 Q CA 0.941 56.745 55.803 0.002 0.000 0.888 117 Q CB 0.269 29.006 28.738 -0.001 0.000 0.951 117 Q HN 0.388 nan 8.270 nan 0.000 0.469 118 V N -3.641 116.284 119.914 0.018 0.000 3.523 118 V HA 0.111 4.245 4.120 0.024 0.000 0.255 118 V C 1.424 177.531 176.094 0.022 0.000 1.226 118 V CA 0.425 62.733 62.300 0.014 0.000 1.092 118 V CB 0.686 32.521 31.823 0.020 0.000 0.817 118 V HN 0.193 nan 8.190 nan 0.000 0.458 119 V N -2.250 117.688 119.914 0.041 0.000 3.382 119 V HA 0.677 4.811 4.120 0.024 0.000 0.296 119 V C 1.167 177.300 176.094 0.064 0.000 1.529 119 V CA 0.224 62.556 62.300 0.054 0.000 1.048 119 V CB -0.628 31.241 31.823 0.076 0.000 0.878 119 V HN 0.461 nan 8.190 nan 0.000 0.442 120 G N 0.185 109.015 108.800 0.051 0.000 2.699 120 G HA2 0.247 4.221 3.960 0.024 0.000 0.246 120 G HA3 0.247 4.221 3.960 0.024 0.000 0.246 120 G C 0.551 175.449 174.900 -0.003 0.000 1.219 120 G CA 0.385 45.515 45.100 0.049 0.000 0.866 120 G HN 0.247 nan 8.290 nan 0.000 0.572 121 M N 1.469 120.983 119.600 -0.143 0.000 2.108 121 M HA -0.062 4.432 4.480 0.024 0.000 0.257 121 M C -0.278 175.955 176.300 -0.111 0.000 1.071 121 M CA 1.979 57.133 55.300 -0.243 0.000 1.093 121 M CB -0.881 31.410 32.600 -0.515 0.000 1.345 121 M HN 0.360 nan 8.290 nan 0.000 0.403 122 P HA -0.096 nan 4.420 nan 0.000 0.217 122 P C 1.741 179.021 177.300 -0.033 0.000 1.150 122 P CA 1.217 64.285 63.100 -0.054 0.000 0.832 122 P CB -0.162 31.510 31.700 -0.047 0.000 0.787 123 V N -0.336 119.563 119.914 -0.024 0.000 2.295 123 V HA -0.202 3.932 4.120 0.024 0.000 0.246 123 V C 2.472 178.561 176.094 -0.007 0.000 1.049 123 V CA 1.811 64.102 62.300 -0.014 0.000 1.024 123 V CB -1.289 30.530 31.823 -0.007 0.000 0.648 123 V HN -0.037 nan 8.190 nan 0.000 0.447 124 V N 0.111 120.026 119.914 0.001 0.000 2.343 124 V HA -0.262 3.872 4.120 0.024 0.000 0.247 124 V C 2.298 178.398 176.094 0.010 0.000 1.051 124 V CA 2.149 64.458 62.300 0.015 0.000 1.036 124 V CB -0.762 31.086 31.823 0.042 0.000 0.654 124 V HN 0.532 nan 8.190 nan 0.000 0.451 125 D N -0.038 120.359 120.400 -0.004 0.000 2.144 125 D HA -0.183 4.471 4.640 0.024 0.000 0.199 125 D C 2.194 178.495 176.300 0.002 0.000 0.984 125 D CA 1.319 55.317 54.000 -0.003 0.000 0.834 125 D CB -0.183 40.606 40.800 -0.018 0.000 0.955 125 D HN 0.406 nan 8.370 nan 0.000 0.465 126 K N 0.214 120.612 120.400 -0.004 0.000 2.211 126 K HA -0.003 4.331 4.320 0.024 0.000 0.203 126 K C 1.771 178.372 176.600 0.003 0.000 1.050 126 K CA 0.410 56.696 56.287 -0.003 0.000 0.945 126 K CB 0.054 32.548 32.500 -0.009 0.000 0.732 126 K HN 0.131 nan 8.250 nan 0.000 0.451 127 L N 0.529 121.755 121.223 0.006 0.000 2.591 127 L HA 0.002 4.357 4.340 0.024 0.000 0.228 127 L C 1.803 178.691 176.870 0.029 0.000 1.133 127 L CA -0.065 54.782 54.840 0.010 0.000 0.880 127 L CB -0.069 41.991 42.059 0.002 0.000 1.033 127 L HN 0.181 nan 8.230 nan 0.000 0.450 128 E N 1.512 121.732 120.200 0.034 0.000 2.033 128 E HA -0.274 4.090 4.350 0.024 0.000 0.199 128 E C 1.683 178.319 176.600 0.059 0.000 1.011 128 E CA 2.124 58.554 56.400 0.050 0.000 0.815 128 E CB -0.104 29.621 29.700 0.041 0.000 0.755 128 E HN 0.463 nan 8.360 nan 0.000 0.451 129 N N -0.793 117.934 118.700 0.045 0.000 2.104 129 N HA -0.203 4.552 4.740 0.024 0.000 0.190 129 N C 1.932 177.477 175.510 0.057 0.000 1.024 129 N CA 0.959 54.037 53.050 0.047 0.000 0.853 129 N CB -0.146 38.361 38.487 0.033 0.000 1.008 129 N HN -0.014 nan 8.380 nan 0.000 0.424 130 R N 1.446 121.975 120.500 0.049 0.000 2.073 130 R HA 0.005 4.359 4.340 0.024 0.000 0.234 130 R C 1.886 178.239 176.300 0.089 0.000 1.134 130 R CA 1.158 57.288 56.100 0.051 0.000 0.952 130 R CB -0.432 29.882 30.300 0.024 0.000 0.850 130 R HN 0.237 nan 8.270 nan 0.000 0.433 131 I N 0.179 120.811 120.570 0.103 0.000 2.179 131 I HA -0.296 3.888 4.170 0.024 0.000 0.242 131 I C 2.643 178.931 176.117 0.284 0.000 1.088 131 I CA 1.602 63.016 61.300 0.191 0.000 1.357 131 I CB -0.420 37.678 38.000 0.163 0.000 1.051 131 I HN 0.395 nan 8.210 nan 0.000 0.409 132 Q N 0.861 120.770 119.800 0.181 0.000 2.061 132 Q HA -0.282 4.072 4.340 0.024 0.000 0.204 132 Q C 2.286 178.363 176.000 0.127 0.000 0.984 132 Q CA 1.752 57.643 55.803 0.146 0.000 0.846 132 Q CB -0.115 28.681 28.738 0.096 0.000 0.902 132 Q HN 0.358 nan 8.270 nan 0.000 0.421 133 E N 0.461 120.727 120.200 0.109 0.000 2.058 133 E HA -0.210 4.154 4.350 0.024 0.000 0.194 133 E C 2.037 178.705 176.600 0.114 0.000 0.997 133 E CA 1.075 57.528 56.400 0.089 0.000 0.801 133 E CB -0.238 29.503 29.700 0.067 0.000 0.746 133 E HN 0.391 nan 8.360 nan 0.000 0.450 134 L N 0.588 121.911 121.223 0.167 0.000 2.056 134 L HA -0.085 4.270 4.340 0.024 0.000 0.207 134 L C 2.471 179.481 176.870 0.233 0.000 1.078 134 L CA 1.923 56.887 54.840 0.206 0.000 0.749 134 L CB -0.596 41.611 42.059 0.247 0.000 0.901 134 L HN 0.146 nan 8.230 nan 0.000 0.433 135 A N -1.271 121.692 122.820 0.239 0.000 1.865 135 A HA -0.267 4.068 4.320 0.024 0.000 0.217 135 A C 2.385 180.015 177.584 0.076 0.000 1.191 135 A CA 1.976 54.022 52.037 0.015 0.000 0.623 135 A CB -1.503 17.397 19.000 -0.167 0.000 0.826 135 A HN 0.608 nan 8.150 nan 0.000 0.444 136 C N -0.897 118.439 119.300 0.059 0.000 2.413 136 C HA -0.064 4.410 4.460 0.024 0.000 0.276 136 C C 3.300 178.306 174.990 0.026 0.000 1.248 136 C CA 1.355 60.386 59.018 0.022 0.000 1.742 136 C CB -1.307 26.446 27.740 0.022 0.000 2.017 136 C HN 0.618 nan 8.230 nan 0.000 0.481 137 S N 0.769 116.501 115.700 0.055 0.000 2.368 137 S HA -0.066 4.418 4.470 0.024 0.000 0.224 137 S C 1.744 176.381 174.600 0.062 0.000 1.029 137 S CA 1.185 59.415 58.200 0.050 0.000 0.988 137 S CB -0.340 62.893 63.200 0.055 0.000 0.838 137 S HN 0.543 nan 8.310 nan 0.000 0.462 138 L N 0.857 122.143 121.223 0.105 0.000 2.017 138 L HA -0.103 4.252 4.340 0.024 0.000 0.208 138 L C 2.159 179.105 176.870 0.126 0.000 1.073 138 L CA 1.217 56.144 54.840 0.145 0.000 0.745 138 L CB -0.491 41.700 42.059 0.221 0.000 0.894 138 L HN 0.308 nan 8.230 nan 0.000 0.432 139 I N -0.523 120.091 120.570 0.074 0.000 2.252 139 I HA -0.249 3.935 4.170 0.024 0.000 0.245 139 I C 2.561 178.577 176.117 -0.169 0.000 1.102 139 I CA 0.978 62.195 61.300 -0.139 0.000 1.385 139 I CB -0.189 37.646 38.000 -0.274 0.000 1.064 139 I HN 0.242 nan 8.210 nan 0.000 0.414 140 E N 1.240 121.387 120.200 -0.089 0.000 2.153 140 E HA -0.204 4.160 4.350 0.024 0.000 0.194 140 E C 2.187 178.773 176.600 -0.024 0.000 0.988 140 E CA 1.776 58.135 56.400 -0.069 0.000 0.811 140 E CB -0.170 29.506 29.700 -0.039 0.000 0.746 140 E HN 0.505 nan 8.360 nan 0.000 0.466 141 S N -0.243 115.461 115.700 0.007 0.000 2.383 141 S HA -0.103 4.381 4.470 0.024 0.000 0.227 141 S C 2.067 176.700 174.600 0.055 0.000 1.026 141 S CA 1.080 59.300 58.200 0.033 0.000 0.981 141 S CB -0.537 62.691 63.200 0.046 0.000 0.818 141 S HN 0.345 nan 8.310 nan 0.000 0.472 142 L N 0.991 122.254 121.223 0.066 0.000 2.109 142 L HA 0.077 4.432 4.340 0.024 0.000 0.207 142 L C 3.066 180.076 176.870 0.235 0.000 1.086 142 L CA 1.085 56.018 54.840 0.154 0.000 0.760 142 L CB -0.567 41.602 42.059 0.184 0.000 0.910 142 L HN 0.337 nan 8.230 nan 0.000 0.437 143 R N 1.002 121.541 120.500 0.065 0.000 2.112 143 R HA -0.191 4.163 4.340 0.024 0.000 0.242 143 R C -0.601 175.876 176.300 0.295 0.000 1.137 143 R CA 2.250 58.395 56.100 0.075 0.000 0.944 143 R CB -1.279 28.954 30.300 -0.110 0.000 0.857 143 R HN 0.257 nan 8.270 nan 0.000 0.435 144 P HA -0.058 nan 4.420 nan 0.000 0.237 144 P C 0.340 177.674 177.300 0.056 0.000 1.178 144 P CA 1.070 64.235 63.100 0.108 0.000 0.766 144 P CB 0.016 31.745 31.700 0.049 0.000 0.876 145 Q N -0.646 119.183 119.800 0.049 0.000 2.311 145 Q HA 0.108 4.462 4.340 0.024 0.000 0.203 145 Q C 1.549 177.337 176.000 -0.354 0.000 0.954 145 Q CA 0.788 56.533 55.803 -0.097 0.000 0.885 145 Q CB -0.408 28.301 28.738 -0.048 0.000 0.963 145 Q HN 0.251 nan 8.270 nan 0.000 0.471 146 G N 1.739 110.111 108.800 -0.715 0.000 2.155 146 G HA2 -0.320 3.654 3.960 0.024 0.000 0.257 146 G HA3 -0.320 3.654 3.960 0.024 0.000 0.257 146 G C -0.032 173.891 174.900 -1.629 0.000 0.983 146 G CA 0.906 45.145 45.100 -1.435 0.000 0.676 146 G HN 0.470 nan 8.290 nan 0.000 0.528 147 Q N -1.796 117.112 119.800 -1.488 0.000 2.702 147 Q HA 0.628 4.983 4.340 0.024 0.000 0.289 147 Q C -0.408 175.417 176.000 -0.293 0.000 0.923 147 Q CA -0.751 54.566 55.803 -0.810 0.000 0.787 147 Q CB 1.531 30.061 28.738 -0.347 0.000 1.476 147 Q HN 1.424 nan 8.270 nan 0.000 0.402 148 C N -0.474 118.884 119.300 0.096 0.000 3.312 148 C HA 0.631 5.106 4.460 0.024 0.000 0.332 148 C C -1.502 173.620 174.990 0.221 0.000 1.340 148 C CA -0.875 58.286 59.018 0.239 0.000 1.265 148 C CB 1.470 29.490 27.740 0.467 0.000 1.563 148 C HN 0.884 nan 8.230 nan 0.000 0.471 149 N N 1.351 120.154 118.700 0.172 0.000 2.645 149 N HA 0.222 4.977 4.740 0.024 0.000 0.233 149 N C 0.167 175.782 175.510 0.174 0.000 1.058 149 N CA -0.271 52.869 53.050 0.149 0.000 0.942 149 N CB 0.761 39.301 38.487 0.088 0.000 1.210 149 N HN 0.787 nan 8.380 nan 0.000 0.512 150 F N 2.756 122.753 119.950 0.079 0.000 2.161 150 F HA -0.242 4.299 4.527 0.024 0.000 0.300 150 F C 2.477 178.305 175.800 0.047 0.000 1.089 150 F CA 1.662 59.693 58.000 0.053 0.000 1.282 150 F CB -0.065 38.889 39.000 -0.076 0.000 1.010 150 F HN 0.399 nan 8.300 nan 0.000 0.485 151 T N -1.185 113.409 114.554 0.066 0.000 2.652 151 T HA -0.285 4.079 4.350 0.024 0.000 0.267 151 T C 1.715 176.363 174.700 -0.086 0.000 1.039 151 T CA 1.614 63.697 62.100 -0.029 0.000 1.153 151 T CB -0.879 67.996 68.868 0.013 0.000 0.863 151 T HN 0.676 nan 8.240 nan 0.000 0.428 152 E N 0.671 120.851 120.200 -0.034 0.000 2.318 152 E HA -0.030 4.334 4.350 0.024 0.000 0.193 152 E C 1.176 177.756 176.600 -0.034 0.000 0.998 152 E CA 0.768 57.151 56.400 -0.028 0.000 0.859 152 E CB -0.075 29.628 29.700 0.004 0.000 0.812 152 E HN 0.402 nan 8.360 nan 0.000 0.492 153 D N -0.795 119.588 120.400 -0.029 0.000 2.346 153 D HA 0.030 4.684 4.640 0.024 0.000 0.206 153 D C 0.599 176.914 176.300 0.025 0.000 1.001 153 D CA 0.644 54.661 54.000 0.028 0.000 0.871 153 D CB 0.325 41.194 40.800 0.115 0.000 0.943 153 D HN 0.278 nan 8.370 nan 0.000 0.518 154 Y N -0.197 119.905 120.300 -0.329 0.000 3.006 154 Y HA 0.323 4.887 4.550 0.024 0.000 0.236 154 Y C 1.947 177.610 175.900 -0.394 0.000 1.088 154 Y CA 0.590 58.463 58.100 -0.379 0.000 1.307 154 Y CB -0.193 37.940 38.460 -0.544 0.000 1.445 154 Y HN -0.151 nan 8.280 nan 0.000 0.433 155 A N 0.929 123.411 122.820 -0.565 0.000 1.948 155 A HA -0.210 4.125 4.320 0.024 0.000 0.220 155 A C 1.802 179.304 177.584 -0.138 0.000 1.177 155 A CA 2.404 54.287 52.037 -0.255 0.000 0.636 155 A CB -0.603 18.297 19.000 -0.166 0.000 0.815 155 A HN 0.690 nan 8.150 nan 0.000 0.449 156 E N -0.839 119.271 120.200 -0.150 0.000 2.014 156 E HA -0.082 4.282 4.350 0.024 0.000 0.190 156 E C -0.571 175.967 176.600 -0.104 0.000 0.980 156 E CA 0.926 57.267 56.400 -0.098 0.000 0.807 156 E CB -0.574 29.084 29.700 -0.069 0.000 0.770 156 E HN 0.493 nan 8.360 nan 0.000 0.451 157 P HA -0.161 nan 4.420 nan 0.000 0.219 157 P C 1.304 178.545 177.300 -0.098 0.000 1.150 157 P CA 1.012 64.061 63.100 -0.085 0.000 0.814 157 P CB -0.040 31.625 31.700 -0.060 0.000 0.787 158 F N 2.936 122.652 119.950 -0.391 0.000 2.031 158 F HA -0.057 4.485 4.527 0.025 0.000 0.295 158 F C -0.922 174.763 175.800 -0.191 0.000 1.133 158 F CA 1.732 59.483 58.000 -0.414 0.000 1.188 158 F CB -1.985 36.463 39.000 -0.919 0.000 0.974 158 F HN -0.038 nan 8.300 nan 0.000 0.473 159 P HA -0.105 nan 4.420 nan 0.000 0.217 159 P C 2.099 179.284 177.300 -0.191 0.000 1.151 159 P CA 1.915 64.773 63.100 -0.404 0.000 0.828 159 P CB -0.122 31.476 31.700 -0.170 0.000 0.788 160 I N -0.794 119.707 120.570 -0.116 0.000 2.252 160 I HA -0.206 3.979 4.170 0.024 0.000 0.245 160 I C 2.537 178.658 176.117 0.007 0.000 1.102 160 I CA 1.409 62.693 61.300 -0.027 0.000 1.385 160 I CB -0.413 37.568 38.000 -0.033 0.000 1.064 160 I HN -0.161 nan 8.210 nan 0.000 0.414 161 R N 0.416 120.888 120.500 -0.046 0.000 2.096 161 R HA -0.125 4.230 4.340 0.024 0.000 0.235 161 R C 2.281 178.550 176.300 -0.053 0.000 1.127 161 R CA 1.146 57.227 56.100 -0.032 0.000 0.968 161 R CB -0.189 30.095 30.300 -0.027 0.000 0.861 161 R HN 0.256 nan 8.270 nan 0.000 0.440 162 I N 0.124 120.622 120.570 -0.120 0.000 2.226 162 I HA -0.279 3.906 4.170 0.024 0.000 0.245 162 I C 2.156 178.231 176.117 -0.070 0.000 1.100 162 I CA 1.376 62.600 61.300 -0.127 0.000 1.374 162 I CB -0.869 36.985 38.000 -0.244 0.000 1.057 162 I HN 0.088 nan 8.210 nan 0.000 0.413 163 F N 1.463 121.339 119.950 -0.125 0.000 2.134 163 F HA -0.232 4.309 4.527 0.024 0.000 0.299 163 F C 2.579 178.351 175.800 -0.047 0.000 1.097 163 F CA 1.570 59.522 58.000 -0.080 0.000 1.264 163 F CB -0.125 38.828 39.000 -0.078 0.000 1.001 163 F HN -0.078 nan 8.300 nan 0.000 0.479 164 M N -0.098 119.496 119.600 -0.009 0.000 2.213 164 M HA -0.171 4.323 4.480 0.024 0.000 0.263 164 M C 2.312 178.531 176.300 -0.136 0.000 1.062 164 M CA 1.366 56.635 55.300 -0.052 0.000 1.105 164 M CB -1.407 31.223 32.600 0.051 0.000 1.385 164 M HN 0.279 nan 8.290 nan 0.000 0.417 165 L N -0.304 120.846 121.223 -0.121 0.000 1.994 165 L HA -0.228 4.126 4.340 0.024 0.000 0.208 165 L C 2.524 179.293 176.870 -0.169 0.000 1.071 165 L CA 0.815 55.587 54.840 -0.112 0.000 0.745 165 L CB -0.875 41.137 42.059 -0.078 0.000 0.892 165 L HN 0.223 nan 8.230 nan 0.000 0.431 166 L N 0.346 121.422 121.223 -0.245 0.000 2.043 166 L HA -0.205 4.149 4.340 0.024 0.000 0.212 166 L C 2.400 179.072 176.870 -0.329 0.000 1.075 166 L CA 2.164 56.836 54.840 -0.279 0.000 0.752 166 L CB -0.586 41.274 42.059 -0.331 0.000 0.891 166 L HN 0.179 nan 8.230 nan 0.000 0.432 167 A N -1.158 121.365 122.820 -0.496 0.000 2.208 167 A HA 0.344 4.679 4.320 0.024 0.000 0.209 167 A C 1.615 179.100 177.584 -0.164 0.000 1.161 167 A CA 0.584 52.398 52.037 -0.372 0.000 0.782 167 A CB -0.977 17.713 19.000 -0.517 0.000 0.816 167 A HN 0.863 nan 8.150 nan 0.000 0.477 168 G N -0.616 108.102 108.800 -0.137 0.000 2.295 168 G HA2 -0.216 3.758 3.960 0.024 0.000 0.287 168 G HA3 -0.216 3.758 3.960 0.024 0.000 0.287 168 G C -0.115 174.770 174.900 -0.024 0.000 1.055 168 G CA 0.624 45.684 45.100 -0.066 0.000 0.922 168 G HN 0.475 nan 8.290 nan 0.000 0.503 169 L N -0.400 120.820 121.223 -0.004 0.000 2.334 169 L HA 0.517 4.871 4.340 0.024 0.000 0.273 169 L C -1.973 174.942 176.870 0.075 0.000 1.013 169 L CA -2.567 52.319 54.840 0.075 0.000 0.816 169 L CB 1.967 44.121 42.059 0.158 0.000 1.278 169 L HN -0.119 nan 8.230 nan 0.000 0.431 170 P HA 0.080 nan 4.420 nan 0.000 0.271 170 P C 0.097 177.443 177.300 0.077 0.000 1.220 170 P CA -0.130 63.017 63.100 0.079 0.000 0.768 170 P CB 0.615 32.370 31.700 0.092 0.000 0.848 171 E N 2.527 122.757 120.200 0.049 0.000 2.160 171 E HA -0.251 4.113 4.350 0.024 0.000 0.195 171 E C 1.525 178.150 176.600 0.043 0.000 0.991 171 E CA 1.140 57.565 56.400 0.040 0.000 0.810 171 E CB 0.040 29.756 29.700 0.026 0.000 0.742 171 E HN 0.680 nan 8.360 nan 0.000 0.466 172 E N 1.000 121.228 120.200 0.047 0.000 2.331 172 E HA -0.220 4.145 4.350 0.024 0.000 0.199 172 E C 0.756 177.390 176.600 0.057 0.000 1.008 172 E CA 1.154 57.581 56.400 0.045 0.000 0.843 172 E CB -0.038 29.686 29.700 0.041 0.000 0.761 172 E HN 0.155 nan 8.360 nan 0.000 0.507 173 D N 0.676 121.123 120.400 0.077 0.000 2.349 173 D HA 0.104 4.759 4.640 0.024 0.000 0.215 173 D C 1.835 178.155 176.300 0.034 0.000 1.016 173 D CA 0.132 54.182 54.000 0.082 0.000 0.870 173 D CB 0.009 40.892 40.800 0.138 0.000 0.917 173 D HN 0.298 nan 8.370 nan 0.000 0.524 174 I N 1.519 122.107 120.570 0.031 0.000 2.127 174 I HA -0.226 3.958 4.170 0.024 0.000 0.241 174 I C -0.573 175.550 176.117 0.011 0.000 1.075 174 I CA 1.316 62.622 61.300 0.010 0.000 1.334 174 I CB -1.268 36.740 38.000 0.014 0.000 1.040 174 I HN 0.006 nan 8.210 nan 0.000 0.405 175 P HA -0.225 nan 4.420 nan 0.000 0.216 175 P C 1.466 178.817 177.300 0.085 0.000 1.153 175 P CA 1.710 64.838 63.100 0.047 0.000 0.858 175 P CB -0.099 31.624 31.700 0.039 0.000 0.789 176 H N -0.387 118.673 119.070 -0.017 0.000 2.293 176 H HA -0.057 4.514 4.556 0.025 0.000 0.300 176 H C 1.813 177.123 175.328 -0.030 0.000 1.082 176 H CA 1.582 57.622 56.048 -0.014 0.000 1.308 176 H CB -1.068 28.665 29.762 -0.049 0.000 1.375 176 H HN -0.046 nan 8.280 nan 0.000 0.495 177 L N -0.133 120.938 121.223 -0.254 0.000 2.093 177 L HA -0.124 4.230 4.340 0.024 0.000 0.208 177 L C 2.559 179.296 176.870 -0.222 0.000 1.085 177 L CA 1.566 56.191 54.840 -0.358 0.000 0.755 177 L CB -0.433 41.437 42.059 -0.316 0.000 0.904 177 L HN 0.227 nan 8.230 nan 0.000 0.435 178 K N 0.090 120.421 120.400 -0.116 0.000 2.057 178 K HA -0.260 4.074 4.320 0.024 0.000 0.207 178 K C 2.158 178.719 176.600 -0.064 0.000 1.049 178 K CA 1.630 57.868 56.287 -0.081 0.000 0.931 178 K CB -0.685 31.795 32.500 -0.033 0.000 0.714 178 K HN 0.199 nan 8.250 nan 0.000 0.440 179 Y N 0.870 121.099 120.300 -0.118 0.000 2.128 179 Y HA -0.173 4.393 4.550 0.026 0.000 0.284 179 Y C 1.672 177.495 175.900 -0.128 0.000 1.154 179 Y CA 1.978 60.021 58.100 -0.095 0.000 1.149 179 Y CB -0.247 38.177 38.460 -0.060 0.000 0.976 179 Y HN 0.043 nan 8.280 nan 0.000 0.505 180 L N -0.993 120.074 121.223 -0.260 0.000 2.017 180 L HA -0.269 4.085 4.340 0.024 0.000 0.208 180 L C 2.363 179.043 176.870 -0.317 0.000 1.073 180 L CA 1.936 56.577 54.840 -0.332 0.000 0.745 180 L CB -1.047 40.807 42.059 -0.341 0.000 0.894 180 L HN 0.203 nan 8.230 nan 0.000 0.432 181 T N -0.850 113.547 114.554 -0.260 0.000 2.684 181 T HA -0.206 4.158 4.350 0.024 0.000 0.267 181 T C 1.406 176.002 174.700 -0.172 0.000 1.036 181 T CA 1.689 63.664 62.100 -0.208 0.000 1.148 181 T CB -0.312 68.442 68.868 -0.189 0.000 0.863 181 T HN 0.313 nan 8.240 nan 0.000 0.436 182 D N 0.910 121.189 120.400 -0.203 0.000 2.218 182 D HA -0.059 4.595 4.640 0.024 0.000 0.204 182 D C 2.300 178.498 176.300 -0.171 0.000 0.976 182 D CA 0.651 54.555 54.000 -0.161 0.000 0.853 182 D CB -0.229 40.470 40.800 -0.168 0.000 0.939 182 D HN 0.280 nan 8.370 nan 0.000 0.481 183 Q N -0.577 119.051 119.800 -0.287 0.000 2.369 183 Q HA 0.079 4.433 4.340 0.024 0.000 0.206 183 Q C 1.900 177.860 176.000 -0.068 0.000 0.963 183 Q CA 0.447 56.115 55.803 -0.224 0.000 0.894 183 Q CB -0.117 28.432 28.738 -0.316 0.000 0.965 183 Q HN 0.447 nan 8.270 nan 0.000 0.475 184 M N -0.514 119.061 119.600 -0.043 0.000 2.514 184 M HA -0.016 4.478 4.480 0.024 0.000 0.258 184 M C 1.453 178.021 176.300 0.446 0.000 1.119 184 M CA 1.278 56.681 55.300 0.171 0.000 1.111 184 M CB 0.281 32.880 32.600 -0.000 0.000 1.390 184 M HN 0.202 nan 8.290 nan 0.000 0.475 185 T N -2.707 111.989 114.554 0.237 0.000 3.019 185 T HA 0.230 4.595 4.350 0.024 0.000 0.247 185 T C 1.040 175.881 174.700 0.234 0.000 0.992 185 T CA -0.253 61.971 62.100 0.207 0.000 1.036 185 T CB 0.262 69.195 68.868 0.109 0.000 1.063 185 T HN 0.219 nan 8.240 nan 0.000 0.476 186 R N 2.288 122.887 120.500 0.165 0.000 2.653 186 R HA 0.332 4.686 4.340 0.024 0.000 0.269 186 R C -2.974 173.372 176.300 0.077 0.000 1.603 186 R CA -1.561 54.647 56.100 0.179 0.000 1.671 186 R CB 1.249 31.629 30.300 0.133 0.000 1.300 186 R HN 0.361 nan 8.270 nan 0.000 0.668 187 P HA -0.026 nan 4.420 nan 0.000 0.268 187 P C -0.264 177.025 177.300 -0.020 0.000 1.204 187 P CA 0.182 63.264 63.100 -0.029 0.000 0.768 187 P CB 0.877 32.550 31.700 -0.045 0.000 0.842 188 D N 1.172 121.566 120.400 -0.010 0.000 2.340 188 D HA 0.088 4.742 4.640 0.024 0.000 0.220 188 D C 1.402 177.717 176.300 0.026 0.000 1.039 188 D CA 0.518 54.536 54.000 0.030 0.000 0.866 188 D CB -0.393 40.455 40.800 0.081 0.000 0.913 188 D HN 0.613 nan 8.370 nan 0.000 0.523 189 G N -0.028 108.776 108.800 0.008 0.000 2.213 189 G HA2 -0.348 3.627 3.960 0.024 0.000 0.236 189 G HA3 -0.348 3.627 3.960 0.024 0.000 0.236 189 G C 1.241 176.158 174.900 0.029 0.000 0.991 189 G CA 0.651 45.755 45.100 0.008 0.000 0.629 189 G HN 0.664 nan 8.290 nan 0.000 0.517 190 S N -0.605 115.129 115.700 0.058 0.000 2.496 190 S HA 0.527 5.011 4.470 0.024 0.000 0.224 190 S C 0.958 175.601 174.600 0.071 0.000 0.996 190 S CA 0.875 59.120 58.200 0.074 0.000 0.927 190 S CB 0.055 63.321 63.200 0.110 0.000 0.774 190 S HN 0.537 nan 8.310 nan 0.000 0.524 191 M N 2.373 122.005 119.600 0.053 0.000 2.395 191 M HA 0.359 4.854 4.480 0.024 0.000 0.307 191 M C -0.286 176.022 176.300 0.015 0.000 1.091 191 M CA -0.656 54.663 55.300 0.032 0.000 0.919 191 M CB 2.385 34.995 32.600 0.017 0.000 1.662 191 M HN 0.184 nan 8.290 nan 0.000 0.440 192 T N -1.244 113.325 114.554 0.025 0.000 2.813 192 T HA 0.178 4.542 4.350 0.024 0.000 0.297 192 T C 0.761 175.498 174.700 0.062 0.000 1.036 192 T CA -0.313 61.818 62.100 0.053 0.000 1.044 192 T CB 0.781 69.685 68.868 0.059 0.000 0.993 192 T HN 0.580 nan 8.240 nan 0.000 0.535 193 F N 1.804 121.746 119.950 -0.013 0.000 2.095 193 F HA -0.005 4.540 4.527 0.029 0.000 0.298 193 F C 2.600 178.372 175.800 -0.047 0.000 1.104 193 F CA 2.011 60.008 58.000 -0.005 0.000 1.232 193 F CB -0.995 38.029 39.000 0.039 0.000 0.987 193 F HN 0.763 nan 8.300 nan 0.000 0.475 194 A N -0.270 122.667 122.820 0.196 0.000 1.908 194 A HA -0.259 4.076 4.320 0.024 0.000 0.218 194 A C 2.248 179.795 177.584 -0.062 0.000 1.181 194 A CA 1.869 53.945 52.037 0.065 0.000 0.627 194 A CB -1.045 18.009 19.000 0.090 0.000 0.818 194 A HN 0.601 nan 8.150 nan 0.000 0.445 195 E N -0.166 120.010 120.200 -0.039 0.000 2.051 195 E HA -0.128 4.236 4.350 0.024 0.000 0.192 195 E C 2.182 178.721 176.600 -0.101 0.000 0.991 195 E CA 1.041 57.414 56.400 -0.044 0.000 0.799 195 E CB -0.260 29.436 29.700 -0.007 0.000 0.748 195 E HN 0.526 nan 8.360 nan 0.000 0.449 196 A N 1.416 124.135 122.820 -0.168 0.000 1.902 196 A HA -0.218 4.116 4.320 0.024 0.000 0.217 196 A C 2.123 179.513 177.584 -0.322 0.000 1.181 196 A CA 1.818 53.713 52.037 -0.236 0.000 0.623 196 A CB -0.475 18.345 19.000 -0.300 0.000 0.818 196 A HN 0.205 nan 8.150 nan 0.000 0.443 197 K N -0.336 119.783 120.400 -0.469 0.000 2.057 197 K HA -0.191 4.143 4.320 0.024 0.000 0.206 197 K C 2.079 178.356 176.600 -0.538 0.000 1.050 197 K CA 1.630 57.542 56.287 -0.624 0.000 0.935 197 K CB -0.163 31.859 32.500 -0.797 0.000 0.715 197 K HN 0.616 nan 8.250 nan 0.000 0.439 198 E N -0.124 119.908 120.200 -0.280 0.000 2.077 198 E HA -0.207 4.157 4.350 0.024 0.000 0.193 198 E C 1.708 178.299 176.600 -0.015 0.000 0.989 198 E CA 1.168 57.514 56.400 -0.090 0.000 0.800 198 E CB -0.125 29.562 29.700 -0.022 0.000 0.746 198 E HN 0.423 nan 8.360 nan 0.000 0.452 199 A N 0.829 123.626 122.820 -0.038 0.000 1.898 199 A HA -0.146 4.189 4.320 0.024 0.000 0.216 199 A C 2.125 179.752 177.584 0.071 0.000 1.181 199 A CA 1.257 53.321 52.037 0.044 0.000 0.620 199 A CB -0.629 18.396 19.000 0.042 0.000 0.819 199 A HN 0.395 nan 8.150 nan 0.000 0.442 200 L N -1.471 119.726 121.223 -0.043 0.000 2.017 200 L HA -0.132 4.223 4.340 0.024 0.000 0.208 200 L C 2.280 179.290 176.870 0.234 0.000 1.073 200 L CA 1.897 56.748 54.840 0.017 0.000 0.745 200 L CB -0.816 41.181 42.059 -0.104 0.000 0.894 200 L HN 0.445 nan 8.230 nan 0.000 0.432 201 Y N 0.137 120.479 120.300 0.069 0.000 2.181 201 Y HA -0.198 4.360 4.550 0.014 0.000 0.288 201 Y C 2.535 178.482 175.900 0.079 0.000 1.146 201 Y CA 1.082 59.218 58.100 0.060 0.000 1.164 201 Y CB -1.108 37.350 38.460 -0.003 0.000 0.982 201 Y HN 0.301 nan 8.280 nan 0.000 0.515 202 D N -1.295 119.253 120.400 0.246 0.000 2.144 202 D HA -0.212 4.443 4.640 0.024 0.000 0.199 202 D C 2.062 178.475 176.300 0.189 0.000 0.984 202 D CA 1.119 55.223 54.000 0.174 0.000 0.834 202 D CB -0.645 40.241 40.800 0.143 0.000 0.955 202 D HN 0.415 nan 8.370 nan 0.000 0.465 203 Y N 1.042 121.416 120.300 0.124 0.000 2.200 203 Y HA -0.102 4.461 4.550 0.022 0.000 0.290 203 Y C 2.084 178.045 175.900 0.101 0.000 1.137 203 Y CA 1.311 59.483 58.100 0.121 0.000 1.163 203 Y CB -0.256 38.295 38.460 0.151 0.000 0.988 203 Y HN -0.093 nan 8.280 nan 0.000 0.518 204 L N -0.585 120.750 121.223 0.187 0.000 2.179 204 L HA -0.140 4.214 4.340 0.024 0.000 0.208 204 L C 2.344 179.210 176.870 -0.008 0.000 1.096 204 L CA 0.769 55.654 54.840 0.076 0.000 0.779 204 L CB -0.433 41.752 42.059 0.209 0.000 0.922 204 L HN 0.269 nan 8.230 nan 0.000 0.443 205 I N 0.585 121.165 120.570 0.017 0.000 2.118 205 I HA -0.245 3.940 4.170 0.024 0.000 0.241 205 I C -0.212 175.882 176.117 -0.039 0.000 1.070 205 I CA 1.746 63.037 61.300 -0.014 0.000 1.327 205 I CB -1.369 36.632 38.000 0.001 0.000 1.034 205 I HN 0.246 nan 8.210 nan 0.000 0.405 206 P HA -0.111 nan 4.420 nan 0.000 0.219 206 P C 1.862 179.115 177.300 -0.079 0.000 1.150 206 P CA 1.568 64.630 63.100 -0.062 0.000 0.814 206 P CB -0.044 31.615 31.700 -0.068 0.000 0.787 207 I N -0.510 119.989 120.570 -0.118 0.000 2.202 207 I HA -0.202 3.982 4.170 0.024 0.000 0.242 207 I C 2.613 178.693 176.117 -0.061 0.000 1.091 207 I CA 1.248 62.480 61.300 -0.113 0.000 1.368 207 I CB -0.543 37.352 38.000 -0.175 0.000 1.058 207 I HN -0.193 nan 8.210 nan 0.000 0.410 208 I N 0.568 121.111 120.570 -0.045 0.000 2.226 208 I HA -0.298 3.887 4.170 0.024 0.000 0.245 208 I C 2.616 178.717 176.117 -0.026 0.000 1.100 208 I CA 1.398 62.683 61.300 -0.025 0.000 1.374 208 I CB -0.299 37.690 38.000 -0.018 0.000 1.057 208 I HN 0.235 nan 8.210 nan 0.000 0.413 209 E N 1.080 121.261 120.200 -0.031 0.000 2.085 209 E HA -0.313 4.051 4.350 0.024 0.000 0.194 209 E C 2.120 178.705 176.600 -0.025 0.000 0.994 209 E CA 1.706 58.091 56.400 -0.026 0.000 0.801 209 E CB -0.224 29.460 29.700 -0.027 0.000 0.743 209 E HN 0.430 nan 8.360 nan 0.000 0.453 210 Q N -0.352 119.429 119.800 -0.031 0.000 2.084 210 Q HA -0.123 4.231 4.340 0.024 0.000 0.202 210 Q C 1.964 177.950 176.000 -0.024 0.000 0.978 210 Q CA 1.587 57.373 55.803 -0.029 0.000 0.844 210 Q CB 0.035 28.751 28.738 -0.038 0.000 0.898 210 Q HN 0.195 nan 8.270 nan 0.000 0.426 211 R N -0.516 119.969 120.500 -0.024 0.000 2.276 211 R HA 0.140 4.495 4.340 0.024 0.000 0.196 211 R C 0.277 176.569 176.300 -0.014 0.000 0.961 211 R CA -0.137 55.951 56.100 -0.019 0.000 1.024 211 R CB 0.295 30.583 30.300 -0.020 0.000 0.940 211 R HN 0.039 nan 8.270 nan 0.000 0.480 212 R N 1.348 121.839 120.500 -0.014 0.000 2.543 212 R HA -0.006 4.349 4.340 0.024 0.000 0.277 212 R C 0.104 176.398 176.300 -0.011 0.000 1.074 212 R CA 0.140 56.234 56.100 -0.010 0.000 1.076 212 R CB 0.446 30.740 30.300 -0.010 0.000 0.993 212 R HN 0.032 nan 8.270 nan 0.000 0.459 213 Q N -0.245 119.549 119.800 -0.009 0.000 2.480 213 Q HA -0.246 4.108 4.340 0.024 0.000 0.265 213 Q C -1.141 174.853 176.000 -0.010 0.000 1.072 213 Q CA 1.369 57.167 55.803 -0.009 0.000 1.018 213 Q CB -0.930 27.802 28.738 -0.009 0.000 1.433 213 Q HN 0.364 nan 8.270 nan 0.000 0.513 214 K N -0.211 120.182 120.400 -0.011 0.000 2.385 214 K HA 0.455 4.789 4.320 0.024 0.000 0.248 214 K C -2.123 174.469 176.600 -0.012 0.000 0.955 214 K CA -1.847 54.433 56.287 -0.012 0.000 0.816 214 K CB 1.268 33.760 32.500 -0.014 0.000 1.250 214 K HN -0.247 nan 8.250 nan 0.000 0.434 215 P HA 0.097 nan 4.420 nan 0.000 0.256 215 P C 0.110 177.402 177.300 -0.014 0.000 1.384 215 P CA -0.261 62.831 63.100 -0.013 0.000 0.879 215 P CB 0.056 31.749 31.700 -0.012 0.000 1.403 216 G N 0.867 109.658 108.800 -0.016 0.000 2.474 216 G HA2 0.144 4.119 3.960 0.024 0.000 0.233 216 G HA3 0.144 4.119 3.960 0.024 0.000 0.233 216 G C 0.833 175.721 174.900 -0.020 0.000 1.278 216 G CA 0.250 45.338 45.100 -0.019 0.000 0.861 216 G HN 0.256 nan 8.290 nan 0.000 0.567 217 T N -1.618 112.922 114.554 -0.023 0.000 3.084 217 T HA 0.178 4.543 4.350 0.024 0.000 0.270 217 T C 0.581 175.260 174.700 -0.035 0.000 1.008 217 T CA 0.149 62.234 62.100 -0.025 0.000 0.900 217 T CB -0.116 68.739 68.868 -0.023 0.000 1.084 217 T HN 0.695 nan 8.240 nan 0.000 0.538 218 D N 1.285 121.660 120.400 -0.041 0.000 2.362 218 D HA 0.214 4.868 4.640 0.024 0.000 0.238 218 D C 1.448 177.713 176.300 -0.058 0.000 1.212 218 D CA 0.030 53.994 54.000 -0.061 0.000 0.902 218 D CB 1.209 41.970 40.800 -0.064 0.000 1.180 218 D HN 0.128 nan 8.370 nan 0.000 0.445 219 A N 1.342 124.109 122.820 -0.088 0.000 1.933 219 A HA -0.142 4.192 4.320 0.024 0.000 0.218 219 A C 2.385 179.956 177.584 -0.023 0.000 1.175 219 A CA 1.037 53.036 52.037 -0.063 0.000 0.628 219 A CB -0.681 18.254 19.000 -0.109 0.000 0.814 219 A HN 0.669 nan 8.150 nan 0.000 0.444 220 I N -0.548 120.007 120.570 -0.025 0.000 2.202 220 I HA -0.204 3.980 4.170 0.024 0.000 0.242 220 I C 2.697 178.816 176.117 0.005 0.000 1.091 220 I CA 1.333 62.639 61.300 0.009 0.000 1.368 220 I CB -0.379 37.630 38.000 0.015 0.000 1.058 220 I HN 0.223 nan 8.210 nan 0.000 0.410 221 S N 1.054 116.748 115.700 -0.010 0.000 2.359 221 S HA -0.170 4.315 4.470 0.024 0.000 0.224 221 S C 2.018 176.616 174.600 -0.004 0.000 1.035 221 S CA 1.484 59.678 58.200 -0.009 0.000 1.018 221 S CB -0.371 62.819 63.200 -0.017 0.000 0.876 221 S HN 0.324 nan 8.310 nan 0.000 0.448 222 I N 0.985 121.552 120.570 -0.005 0.000 2.179 222 I HA -0.151 4.034 4.170 0.024 0.000 0.242 222 I C 2.209 178.333 176.117 0.013 0.000 1.088 222 I CA 0.879 62.179 61.300 -0.001 0.000 1.357 222 I CB -0.534 37.462 38.000 -0.005 0.000 1.051 222 I HN 0.146 nan 8.210 nan 0.000 0.409 223 V N 1.170 121.099 119.914 0.025 0.000 2.255 223 V HA -0.313 3.822 4.120 0.024 0.000 0.247 223 V C 2.686 178.806 176.094 0.044 0.000 1.051 223 V CA 2.134 64.463 62.300 0.048 0.000 1.018 223 V CB -1.011 30.852 31.823 0.068 0.000 0.641 223 V HN 0.520 nan 8.190 nan 0.000 0.445 224 A N -0.239 122.599 122.820 0.029 0.000 2.070 224 A HA -0.143 4.191 4.320 0.024 0.000 0.220 224 A C 1.779 179.372 177.584 0.015 0.000 1.159 224 A CA 1.586 53.636 52.037 0.021 0.000 0.656 224 A CB -0.410 18.596 19.000 0.009 0.000 0.800 224 A HN 0.635 nan 8.150 nan 0.000 0.453 225 N N -0.183 118.523 118.700 0.010 0.000 2.204 225 N HA 0.100 4.855 4.740 0.024 0.000 0.219 225 N C 0.703 176.213 175.510 0.001 0.000 1.151 225 N CA 0.484 53.536 53.050 0.003 0.000 0.867 225 N CB 0.591 39.077 38.487 -0.003 0.000 1.043 225 N HN 0.380 nan 8.380 nan 0.000 0.516 226 G N 0.556 109.361 108.800 0.008 0.000 2.569 226 G HA2 0.167 4.142 3.960 0.024 0.000 0.249 226 G HA3 0.167 4.142 3.960 0.024 0.000 0.249 226 G C -0.022 174.869 174.900 -0.014 0.000 1.216 226 G CA -0.158 44.941 45.100 -0.002 0.000 0.845 226 G HN 0.008 nan 8.290 nan 0.000 0.568 227 Q N -0.182 119.597 119.800 -0.036 0.000 2.307 227 Q HA 0.462 4.816 4.340 0.024 0.000 0.262 227 Q C -0.126 175.816 176.000 -0.096 0.000 0.961 227 Q CA -0.680 55.093 55.803 -0.051 0.000 0.882 227 Q CB 1.760 30.471 28.738 -0.044 0.000 1.264 227 Q HN 0.591 nan 8.270 nan 0.000 0.446 228 V N -0.419 119.420 119.914 -0.125 0.000 2.709 228 V HA 0.547 4.681 4.120 0.024 0.000 0.308 228 V C 0.064 176.055 176.094 -0.172 0.000 1.062 228 V CA -0.991 61.168 62.300 -0.236 0.000 0.901 228 V CB 1.890 33.425 31.823 -0.480 0.000 1.003 228 V HN 0.823 nan 8.190 nan 0.000 0.425 229 N N 2.605 121.201 118.700 -0.173 0.000 2.735 229 N HA -0.198 4.557 4.740 0.024 0.000 0.248 229 N C 1.136 176.608 175.510 -0.064 0.000 1.083 229 N CA 1.780 54.766 53.050 -0.107 0.000 0.703 229 N CB -1.312 37.122 38.487 -0.088 0.000 1.005 229 N HN 2.300 nan 8.380 nan 0.000 0.550 230 G N -0.584 108.177 108.800 -0.064 0.000 2.143 230 G HA2 -0.355 3.620 3.960 0.024 0.000 0.248 230 G HA3 -0.355 3.620 3.960 0.024 0.000 0.248 230 G C 0.074 174.955 174.900 -0.033 0.000 0.991 230 G CA 1.024 46.098 45.100 -0.043 0.000 0.689 230 G HN 0.991 nan 8.290 nan 0.000 0.522 231 R N -2.040 118.439 120.500 -0.035 0.000 2.752 231 R HA 0.688 5.043 4.340 0.024 0.000 0.271 231 R C -3.426 172.862 176.300 -0.021 0.000 1.026 231 R CA -2.107 53.980 56.100 -0.021 0.000 0.901 231 R CB 0.568 30.861 30.300 -0.012 0.000 1.243 231 R HN 0.004 nan 8.270 nan 0.000 0.463 232 P HA 0.058 nan 4.420 nan 0.000 0.268 232 P C -0.157 177.150 177.300 0.012 0.000 1.205 232 P CA -0.211 62.887 63.100 -0.003 0.000 0.771 232 P CB 0.452 32.152 31.700 -0.000 0.000 0.858 233 I N 2.393 122.977 120.570 0.024 0.000 2.815 233 I HA -0.027 4.157 4.170 0.024 0.000 0.291 233 I C 0.845 176.995 176.117 0.055 0.000 1.209 233 I CA 0.338 61.680 61.300 0.070 0.000 1.431 233 I CB 0.545 38.606 38.000 0.102 0.000 1.351 233 I HN 0.426 nan 8.210 nan 0.000 0.585 234 T N 2.587 117.180 114.554 0.065 0.000 2.868 234 T HA 0.144 4.508 4.350 0.024 0.000 0.292 234 T C 1.144 175.849 174.700 0.008 0.000 1.028 234 T CA -0.304 61.813 62.100 0.028 0.000 1.059 234 T CB 1.427 70.306 68.868 0.020 0.000 0.991 234 T HN 0.688 nan 8.240 nan 0.000 0.531 235 S N 0.702 116.394 115.700 -0.013 0.000 2.370 235 S HA -0.151 4.333 4.470 0.024 0.000 0.226 235 S C 1.691 176.250 174.600 -0.068 0.000 1.033 235 S CA 1.644 59.825 58.200 -0.033 0.000 1.011 235 S CB -0.660 62.519 63.200 -0.036 0.000 0.852 235 S HN 0.974 nan 8.310 nan 0.000 0.457 236 D N 0.932 121.284 120.400 -0.080 0.000 2.097 236 D HA -0.127 4.528 4.640 0.024 0.000 0.195 236 D C 1.920 178.126 176.300 -0.156 0.000 0.989 236 D CA 1.338 55.254 54.000 -0.140 0.000 0.827 236 D CB -0.159 40.572 40.800 -0.115 0.000 0.966 236 D HN 0.453 nan 8.370 nan 0.000 0.456 237 E N -0.121 120.028 120.200 -0.085 0.000 2.085 237 E HA -0.175 4.190 4.350 0.024 0.000 0.194 237 E C 2.162 178.731 176.600 -0.051 0.000 0.994 237 E CA 1.072 57.422 56.400 -0.084 0.000 0.801 237 E CB -0.217 29.518 29.700 0.059 0.000 0.743 237 E HN 0.381 nan 8.360 nan 0.000 0.453 238 A N 1.685 124.501 122.820 -0.006 0.000 1.908 238 A HA -0.266 4.069 4.320 0.024 0.000 0.218 238 A C 2.081 179.657 177.584 -0.014 0.000 1.181 238 A CA 1.777 53.824 52.037 0.016 0.000 0.627 238 A CB -0.435 18.575 19.000 0.017 0.000 0.818 238 A HN 0.091 nan 8.150 nan 0.000 0.445 239 K N -0.434 119.908 120.400 -0.097 0.000 2.057 239 K HA -0.144 4.190 4.320 0.024 0.000 0.206 239 K C 2.221 178.726 176.600 -0.158 0.000 1.050 239 K CA 1.392 57.583 56.287 -0.160 0.000 0.935 239 K CB -0.185 32.113 32.500 -0.337 0.000 0.715 239 K HN 0.428 nan 8.250 nan 0.000 0.439 240 R N -0.161 120.200 120.500 -0.233 0.000 2.120 240 R HA -0.017 4.337 4.340 0.024 0.000 0.234 240 R C 2.427 178.828 176.300 0.168 0.000 1.123 240 R CA 1.383 57.457 56.100 -0.043 0.000 0.975 240 R CB -0.075 30.135 30.300 -0.150 0.000 0.866 240 R HN 0.281 nan 8.270 nan 0.000 0.446 241 M N -0.609 119.035 119.600 0.073 0.000 2.248 241 M HA -0.124 4.371 4.480 0.024 0.000 0.265 241 M C 2.214 178.594 176.300 0.134 0.000 1.079 241 M CA 1.173 56.536 55.300 0.105 0.000 1.150 241 M CB -0.105 32.554 32.600 0.099 0.000 1.366 241 M HN 0.297 nan 8.290 nan 0.000 0.433 242 C N 0.044 119.427 119.300 0.138 0.000 2.425 242 C HA -0.076 4.398 4.460 0.024 0.000 0.277 242 C C 2.764 177.866 174.990 0.186 0.000 1.280 242 C CA 1.091 60.206 59.018 0.163 0.000 1.744 242 C CB -1.747 26.082 27.740 0.147 0.000 1.989 242 C HN 0.730 nan 8.230 nan 0.000 0.491 243 G N 0.232 109.195 108.800 0.273 0.000 2.418 243 G HA2 -0.200 3.775 3.960 0.024 0.000 0.217 243 G HA3 -0.200 3.775 3.960 0.024 0.000 0.217 243 G C 1.511 176.334 174.900 -0.129 0.000 1.158 243 G CA 0.885 46.162 45.100 0.295 0.000 0.771 243 G HN 0.463 nan 8.290 nan 0.000 0.545 244 L N 0.412 121.524 121.223 -0.184 0.000 2.093 244 L HA 0.172 4.526 4.340 0.024 0.000 0.208 244 L C 2.676 179.390 176.870 -0.261 0.000 1.085 244 L CA 1.206 55.758 54.840 -0.481 0.000 0.755 244 L CB -0.396 41.537 42.059 -0.210 0.000 0.904 244 L HN 0.197 nan 8.230 nan 0.000 0.435 245 L N -1.472 119.703 121.223 -0.080 0.000 2.046 245 L HA -0.236 4.118 4.340 0.024 0.000 0.208 245 L C 2.495 179.161 176.870 -0.339 0.000 1.077 245 L CA 0.736 55.557 54.840 -0.031 0.000 0.747 245 L CB -0.638 41.553 42.059 0.220 0.000 0.896 245 L HN 0.296 nan 8.230 nan 0.000 0.432 246 L N -0.507 120.553 121.223 -0.270 0.000 2.012 246 L HA -0.213 4.141 4.340 0.024 0.000 0.210 246 L C 2.605 179.157 176.870 -0.530 0.000 1.073 246 L CA 1.671 56.225 54.840 -0.477 0.000 0.748 246 L CB -0.808 41.179 42.059 -0.120 0.000 0.891 246 L HN 0.136 nan 8.230 nan 0.000 0.431 247 V N -0.017 119.653 119.914 -0.406 0.000 2.343 247 V HA -0.211 3.924 4.120 0.024 0.000 0.247 247 V C 2.686 178.601 176.094 -0.298 0.000 1.051 247 V CA 1.818 63.911 62.300 -0.344 0.000 1.036 247 V CB -1.263 30.323 31.823 -0.396 0.000 0.654 247 V HN 0.569 nan 8.190 nan 0.000 0.451 248 G N 0.112 108.730 108.800 -0.303 0.000 2.440 248 G HA2 -0.179 3.795 3.960 0.024 0.000 0.218 248 G HA3 -0.179 3.795 3.960 0.024 0.000 0.218 248 G C 1.622 176.343 174.900 -0.297 0.000 1.154 248 G CA 0.962 45.926 45.100 -0.227 0.000 0.767 248 G HN 0.597 nan 8.290 nan 0.000 0.552 249 G N 0.140 108.579 108.800 -0.602 0.000 2.422 249 G HA2 0.012 3.986 3.960 0.024 0.000 0.218 249 G HA3 0.012 3.986 3.960 0.024 0.000 0.218 249 G C 1.489 176.156 174.900 -0.388 0.000 1.140 249 G CA 0.708 45.398 45.100 -0.682 0.000 0.775 249 G HN 0.358 nan 8.290 nan 0.000 0.545 250 L N -0.687 120.316 121.223 -0.366 0.000 2.556 250 L HA 0.376 4.730 4.340 0.024 0.000 0.226 250 L C 0.684 177.471 176.870 -0.139 0.000 1.089 250 L CA 0.628 55.338 54.840 -0.216 0.000 0.864 250 L CB 0.760 42.690 42.059 -0.215 0.000 1.067 250 L HN 0.065 nan 8.230 nan 0.000 0.477 251 D N -2.107 118.217 120.400 -0.128 0.000 2.785 251 D HA 0.111 4.765 4.640 0.024 0.000 0.324 251 D C 1.065 177.348 176.300 -0.028 0.000 1.523 251 D CA 0.859 54.818 54.000 -0.068 0.000 0.789 251 D CB 0.528 41.288 40.800 -0.066 0.000 1.171 251 D HN 0.227 nan 8.370 nan 0.000 0.447 252 T N -4.253 110.290 114.554 -0.018 0.000 3.447 252 T HA 0.077 4.442 4.350 0.024 0.000 0.218 252 T C 1.823 176.583 174.700 0.099 0.000 0.972 252 T CA 0.609 62.729 62.100 0.032 0.000 1.264 252 T CB -0.549 68.328 68.868 0.016 0.000 1.284 252 T HN -0.167 nan 8.240 nan 0.000 0.361 253 V N 2.504 122.476 119.914 0.097 0.000 2.392 253 V HA -0.155 3.979 4.120 0.024 0.000 0.249 253 V C 2.939 179.143 176.094 0.183 0.000 1.059 253 V CA 1.690 64.099 62.300 0.181 0.000 1.051 253 V CB -1.078 30.825 31.823 0.133 0.000 0.658 253 V HN 0.437 nan 8.190 nan 0.000 0.455 254 V N 0.910 120.872 119.914 0.080 0.000 2.278 254 V HA -0.314 3.820 4.120 0.024 0.000 0.251 254 V C 2.308 178.422 176.094 0.032 0.000 1.062 254 V CA 2.482 64.805 62.300 0.038 0.000 1.038 254 V CB -0.780 31.032 31.823 -0.019 0.000 0.646 254 V HN 0.635 nan 8.190 nan 0.000 0.447 255 N N -0.833 117.888 118.700 0.034 0.000 2.207 255 N HA -0.091 4.663 4.740 0.024 0.000 0.182 255 N C 1.772 177.262 175.510 -0.032 0.000 1.020 255 N CA 1.332 54.347 53.050 -0.059 0.000 0.858 255 N CB -0.370 38.118 38.487 0.002 0.000 0.991 255 N HN 0.512 nan 8.380 nan 0.000 0.427 256 F N 2.516 122.516 119.950 0.083 0.000 2.126 256 F HA -0.058 4.483 4.527 0.024 0.000 0.299 256 F C 2.134 178.012 175.800 0.130 0.000 1.096 256 F CA 0.989 59.104 58.000 0.193 0.000 1.255 256 F CB -0.396 38.684 39.000 0.132 0.000 0.997 256 F HN -0.095 nan 8.300 nan 0.000 0.479 257 L N -0.679 120.594 121.223 0.084 0.000 2.042 257 L HA -0.283 4.071 4.340 0.024 0.000 0.210 257 L C 2.545 179.385 176.870 -0.051 0.000 1.076 257 L CA 1.612 56.495 54.840 0.071 0.000 0.749 257 L CB -0.972 41.302 42.059 0.358 0.000 0.893 257 L HN 0.102 nan 8.230 nan 0.000 0.432 258 S N -0.646 115.024 115.700 -0.050 0.000 2.368 258 S HA -0.099 4.385 4.470 0.024 0.000 0.224 258 S C 1.747 176.100 174.600 -0.411 0.000 1.029 258 S CA 1.077 59.183 58.200 -0.157 0.000 0.988 258 S CB -0.287 62.821 63.200 -0.153 0.000 0.838 258 S HN 0.216 nan 8.310 nan 0.000 0.462 259 F N 2.207 121.916 119.950 -0.402 0.000 2.126 259 F HA -0.100 4.441 4.527 0.023 0.000 0.299 259 F C 2.759 178.010 175.800 -0.915 0.000 1.096 259 F CA 0.908 58.530 58.000 -0.629 0.000 1.255 259 F CB -1.023 37.623 39.000 -0.590 0.000 0.997 259 F HN 0.103 nan 8.300 nan 0.000 0.479 260 S N -0.370 114.926 115.700 -0.674 0.000 2.355 260 S HA -0.211 4.274 4.470 0.024 0.000 0.222 260 S C 2.003 176.378 174.600 -0.375 0.000 1.031 260 S CA 1.334 59.190 58.200 -0.574 0.000 0.993 260 S CB -0.408 62.480 63.200 -0.521 0.000 0.859 260 S HN 0.240 nan 8.310 nan 0.000 0.453 261 M N 1.875 121.172 119.600 -0.505 0.000 2.229 261 M HA -0.012 4.482 4.480 0.024 0.000 0.264 261 M C 1.897 177.958 176.300 -0.397 0.000 1.063 261 M CA 1.319 56.235 55.300 -0.640 0.000 1.114 261 M CB -0.459 31.237 32.600 -1.507 0.000 1.387 261 M HN 0.337 nan 8.290 nan 0.000 0.420 262 E N -1.005 118.987 120.200 -0.348 0.000 2.058 262 E HA -0.260 4.104 4.350 0.024 0.000 0.194 262 E C 1.951 178.471 176.600 -0.133 0.000 0.997 262 E CA 1.577 57.870 56.400 -0.178 0.000 0.801 262 E CB -0.384 29.260 29.700 -0.093 0.000 0.746 262 E HN 0.526 nan 8.360 nan 0.000 0.450 263 F N 1.413 121.169 119.950 -0.324 0.000 2.095 263 F HA -0.175 4.367 4.527 0.025 0.000 0.298 263 F C 1.984 177.692 175.800 -0.154 0.000 1.104 263 F CA 1.434 59.295 58.000 -0.231 0.000 1.232 263 F CB -0.300 38.513 39.000 -0.312 0.000 0.987 263 F HN 0.001 nan 8.300 nan 0.000 0.475 264 L N 0.014 121.095 121.223 -0.238 0.000 2.083 264 L HA -0.200 4.154 4.340 0.024 0.000 0.209 264 L C 2.799 179.398 176.870 -0.452 0.000 1.083 264 L CA 1.141 55.814 54.840 -0.277 0.000 0.752 264 L CB -1.227 40.844 42.059 0.020 0.000 0.899 264 L HN 0.278 nan 8.230 nan 0.000 0.433 265 A N 0.064 122.705 122.820 -0.299 0.000 1.972 265 A HA -0.211 4.124 4.320 0.024 0.000 0.219 265 A C 2.221 179.614 177.584 -0.318 0.000 1.169 265 A CA 1.656 53.484 52.037 -0.348 0.000 0.635 265 A CB -0.267 18.751 19.000 0.030 0.000 0.810 265 A HN 0.358 nan 8.150 nan 0.000 0.446 266 K N -1.028 119.183 120.400 -0.315 0.000 2.379 266 K HA 0.146 4.480 4.320 0.024 0.000 0.194 266 K C 0.296 176.697 176.600 -0.331 0.000 1.031 266 K CA 0.495 56.626 56.287 -0.261 0.000 1.037 266 K CB 0.364 32.752 32.500 -0.185 0.000 0.824 266 K HN 0.217 nan 8.250 nan 0.000 0.516 267 S N 1.091 116.498 115.700 -0.489 0.000 2.259 267 S HA 0.261 4.745 4.470 0.024 0.000 0.181 267 S C -2.311 172.134 174.600 -0.258 0.000 1.589 267 S CA -1.742 56.209 58.200 -0.413 0.000 1.234 267 S CB 0.603 63.332 63.200 -0.785 0.000 1.119 267 S HN -0.108 nan 8.310 nan 0.000 0.458 268 P HA -0.190 nan 4.420 nan 0.000 0.216 268 P C 1.335 178.580 177.300 -0.092 0.000 1.150 268 P CA 1.147 64.151 63.100 -0.160 0.000 0.843 268 P CB 0.072 31.695 31.700 -0.128 0.000 0.787 269 E N -1.080 119.073 120.200 -0.077 0.000 2.153 269 E HA -0.252 4.113 4.350 0.024 0.000 0.194 269 E C 1.469 177.988 176.600 -0.135 0.000 0.988 269 E CA 1.287 57.624 56.400 -0.105 0.000 0.811 269 E CB -1.087 28.530 29.700 -0.139 0.000 0.746 269 E HN 0.377 nan 8.360 nan 0.000 0.466 270 H N 0.708 119.730 119.070 -0.080 0.000 2.428 270 H HA 0.120 4.691 4.556 0.024 0.000 0.296 270 H C 2.114 177.549 175.328 0.179 0.000 1.062 270 H CA 1.402 57.461 56.048 0.017 0.000 1.350 270 H CB 0.107 29.852 29.762 -0.029 0.000 1.403 270 H HN 0.096 nan 8.280 nan 0.000 0.533 271 R N 0.386 120.974 120.500 0.146 0.000 2.073 271 R HA -0.133 4.222 4.340 0.024 0.000 0.234 271 R C 2.006 178.364 176.300 0.097 0.000 1.134 271 R CA 1.176 57.339 56.100 0.105 0.000 0.952 271 R CB -0.094 30.182 30.300 -0.040 0.000 0.850 271 R HN 0.370 nan 8.270 nan 0.000 0.433 272 Q N 0.746 120.573 119.800 0.045 0.000 2.124 272 Q HA -0.200 4.155 4.340 0.024 0.000 0.202 272 Q C 1.894 177.930 176.000 0.060 0.000 0.977 272 Q CA 1.359 57.182 55.803 0.032 0.000 0.850 272 Q CB -0.133 28.603 28.738 -0.003 0.000 0.901 272 Q HN 0.484 nan 8.270 nan 0.000 0.429 273 E N 0.283 120.537 120.200 0.091 0.000 2.085 273 E HA -0.158 4.206 4.350 0.024 0.000 0.194 273 E C 1.883 178.573 176.600 0.150 0.000 0.994 273 E CA 0.922 57.402 56.400 0.133 0.000 0.801 273 E CB 0.043 29.870 29.700 0.212 0.000 0.743 273 E HN 0.297 nan 8.360 nan 0.000 0.453 274 L N 0.004 121.331 121.223 0.173 0.000 2.307 274 L HA 0.036 4.391 4.340 0.024 0.000 0.211 274 L C 2.331 179.249 176.870 0.080 0.000 1.099 274 L CA 0.114 55.023 54.840 0.114 0.000 0.816 274 L CB -0.129 41.993 42.059 0.105 0.000 0.952 274 L HN 0.170 nan 8.230 nan 0.000 0.455 275 I N -0.000 120.619 120.570 0.081 0.000 2.179 275 I HA -0.215 3.970 4.170 0.024 0.000 0.242 275 I C 2.252 178.395 176.117 0.044 0.000 1.088 275 I CA 1.241 62.576 61.300 0.058 0.000 1.357 275 I CB -0.082 37.949 38.000 0.051 0.000 1.051 275 I HN 0.224 nan 8.210 nan 0.000 0.409 276 E N 0.732 120.960 120.200 0.046 0.000 2.474 276 E HA 0.088 4.453 4.350 0.024 0.000 0.194 276 E C 0.135 176.758 176.600 0.039 0.000 1.041 276 E CA 0.335 56.757 56.400 0.036 0.000 0.874 276 E CB 0.369 30.088 29.700 0.031 0.000 0.914 276 E HN 0.357 nan 8.360 nan 0.000 0.498 277 R N 0.334 120.863 120.500 0.048 0.000 2.687 277 R HA 0.213 4.568 4.340 0.024 0.000 0.264 277 R C -2.252 174.073 176.300 0.041 0.000 1.715 277 R CA -1.450 54.678 56.100 0.046 0.000 1.633 277 R CB 0.942 31.277 30.300 0.057 0.000 1.353 277 R HN -0.088 nan 8.270 nan 0.000 0.653 278 P HA -0.183 nan 4.420 nan 0.000 0.218 278 P C 1.200 178.513 177.300 0.022 0.000 1.149 278 P CA 1.111 64.227 63.100 0.028 0.000 0.817 278 P CB 0.352 32.068 31.700 0.026 0.000 0.785 279 E N 0.211 120.426 120.200 0.024 0.000 2.472 279 E HA -0.147 4.218 4.350 0.024 0.000 0.200 279 E C 1.436 178.047 176.600 0.019 0.000 1.046 279 E CA 0.786 57.200 56.400 0.022 0.000 0.871 279 E CB -0.641 29.073 29.700 0.024 0.000 0.806 279 E HN 0.315 nan 8.360 nan 0.000 0.533 280 R N 0.261 120.770 120.500 0.016 0.000 2.299 280 R HA 0.232 4.587 4.340 0.024 0.000 0.197 280 R C 2.228 178.493 176.300 -0.058 0.000 0.971 280 R CA 0.145 56.247 56.100 0.004 0.000 1.030 280 R CB -0.130 30.193 30.300 0.038 0.000 0.932 280 R HN 0.234 nan 8.270 nan 0.000 0.477 281 I N 1.465 122.006 120.570 -0.048 0.000 2.179 281 I HA -0.185 4.000 4.170 0.024 0.000 0.242 281 I C -0.780 175.299 176.117 -0.064 0.000 1.088 281 I CA 1.305 62.557 61.300 -0.079 0.000 1.357 281 I CB -1.006 36.981 38.000 -0.022 0.000 1.051 281 I HN 0.018 nan 8.210 nan 0.000 0.409 282 P HA -0.179 nan 4.420 nan 0.000 0.215 282 P C 1.472 178.775 177.300 0.005 0.000 1.153 282 P CA 1.815 64.922 63.100 0.013 0.000 0.853 282 P CB -0.016 31.702 31.700 0.031 0.000 0.788 283 A N -0.117 122.697 122.820 -0.009 0.000 1.898 283 A HA -0.087 4.247 4.320 0.024 0.000 0.216 283 A C 2.312 179.871 177.584 -0.041 0.000 1.181 283 A CA 1.995 54.036 52.037 0.007 0.000 0.620 283 A CB -1.585 17.435 19.000 0.032 0.000 0.819 283 A HN 0.184 nan 8.150 nan 0.000 0.442 284 A N -0.865 121.824 122.820 -0.219 0.000 1.902 284 A HA -0.226 4.108 4.320 0.024 0.000 0.217 284 A C 2.412 179.861 177.584 -0.225 0.000 1.181 284 A CA 1.725 53.416 52.037 -0.576 0.000 0.623 284 A CB -1.528 16.707 19.000 -1.275 0.000 0.818 284 A HN 0.905 nan 8.150 nan 0.000 0.443 285 C N -0.546 118.697 119.300 -0.094 0.000 2.385 285 C HA -0.187 4.288 4.460 0.024 0.000 0.275 285 C C 2.597 177.632 174.990 0.076 0.000 1.207 285 C CA 2.041 61.091 59.018 0.054 0.000 1.760 285 C CB -1.148 26.639 27.740 0.077 0.000 2.051 285 C HN 0.693 nan 8.230 nan 0.000 0.467 286 E N 0.496 120.731 120.200 0.058 0.000 2.077 286 E HA -0.184 4.181 4.350 0.024 0.000 0.193 286 E C 2.048 178.675 176.600 0.046 0.000 0.989 286 E CA 1.824 58.267 56.400 0.072 0.000 0.800 286 E CB -0.386 29.387 29.700 0.121 0.000 0.746 286 E HN 0.779 nan 8.360 nan 0.000 0.452 287 E N -0.053 120.196 120.200 0.080 0.000 2.106 287 E HA -0.120 4.244 4.350 0.024 0.000 0.192 287 E C 1.904 178.534 176.600 0.051 0.000 0.984 287 E CA 1.115 57.568 56.400 0.087 0.000 0.806 287 E CB -0.288 29.539 29.700 0.212 0.000 0.750 287 E HN 0.341 nan 8.360 nan 0.000 0.458 288 L N -0.068 121.250 121.223 0.159 0.000 2.093 288 L HA -0.132 4.222 4.340 0.024 0.000 0.208 288 L C 2.517 179.614 176.870 0.379 0.000 1.085 288 L CA 0.822 55.839 54.840 0.295 0.000 0.755 288 L CB -0.426 41.874 42.059 0.402 0.000 0.904 288 L HN 0.196 nan 8.230 nan 0.000 0.435 289 L N -0.490 120.821 121.223 0.146 0.000 2.131 289 L HA -0.222 4.132 4.340 0.024 0.000 0.210 289 L C 2.877 179.488 176.870 -0.431 0.000 1.092 289 L CA 1.177 55.826 54.840 -0.319 0.000 0.759 289 L CB -0.436 41.234 42.059 -0.650 0.000 0.903 289 L HN 0.273 nan 8.230 nan 0.000 0.435 290 R N 0.210 120.497 120.500 -0.355 0.000 2.055 290 R HA -0.189 4.165 4.340 0.024 0.000 0.228 290 R C 2.491 178.619 176.300 -0.287 0.000 1.143 290 R CA 1.456 57.377 56.100 -0.298 0.000 0.945 290 R CB -0.106 30.122 30.300 -0.121 0.000 0.841 290 R HN 0.062 nan 8.270 nan 0.000 0.429 291 R N -0.079 120.210 120.500 -0.351 0.000 2.092 291 R HA -0.069 4.285 4.340 0.024 0.000 0.231 291 R C 0.631 176.401 176.300 -0.884 0.000 1.119 291 R CA 1.529 57.232 56.100 -0.662 0.000 0.970 291 R CB -0.200 29.546 30.300 -0.922 0.000 0.864 291 R HN 0.236 nan 8.270 nan 0.000 0.440 292 F N 0.309 120.166 119.950 -0.156 0.000 2.850 292 F HA 0.432 4.973 4.527 0.023 0.000 0.306 292 F C 0.430 176.134 175.800 -0.159 0.000 1.162 292 F CA -0.533 57.328 58.000 -0.231 0.000 1.327 292 F CB -0.124 38.736 39.000 -0.234 0.000 0.953 292 F HN -0.142 nan 8.300 nan 0.000 0.507 293 S N 1.608 117.216 115.700 -0.153 0.000 2.558 293 S HA 0.205 4.690 4.470 0.024 0.000 0.287 293 S C 0.940 175.368 174.600 -0.288 0.000 1.321 293 S CA 0.130 58.187 58.200 -0.238 0.000 1.048 293 S CB 0.419 63.443 63.200 -0.294 0.000 0.844 293 S HN 0.565 nan 8.310 nan 0.000 0.512 294 L N 2.022 123.090 121.223 -0.257 0.000 3.689 294 L HA 0.566 4.921 4.340 0.024 0.000 0.344 294 L C -0.874 175.840 176.870 -0.260 0.000 1.221 294 L CA -0.530 54.164 54.840 -0.242 0.000 1.171 294 L CB 0.246 42.316 42.059 0.018 0.000 1.540 294 L HN 0.339 nan 8.230 nan 0.000 0.631 295 V N 1.891 121.640 119.914 -0.276 0.000 2.547 295 V HA 0.864 4.998 4.120 0.024 0.000 0.299 295 V C 0.172 176.074 176.094 -0.321 0.000 1.040 295 V CA 0.015 62.170 62.300 -0.242 0.000 0.913 295 V CB 1.506 33.237 31.823 -0.153 0.000 0.992 295 V HN 0.331 nan 8.190 nan 0.000 0.449 296 A N 3.458 126.094 122.820 -0.305 0.000 2.599 296 A HA 0.709 5.043 4.320 0.024 0.000 0.281 296 A C -0.792 176.705 177.584 -0.146 0.000 1.137 296 A CA -0.614 51.278 52.037 -0.241 0.000 0.767 296 A CB 0.771 19.508 19.000 -0.438 0.000 1.266 296 A HN 0.857 nan 8.150 nan 0.000 0.420 297 D N 1.452 121.818 120.400 -0.057 0.000 2.726 297 D HA 0.867 5.522 4.640 0.024 0.000 0.241 297 D C 0.509 176.857 176.300 0.081 0.000 1.150 297 D CA 0.055 54.027 54.000 -0.046 0.000 1.089 297 D CB 0.970 41.749 40.800 -0.035 0.000 1.260 297 D HN 0.935 nan 8.370 nan 0.000 0.637 298 G N -1.842 107.019 108.800 0.101 0.000 2.588 298 G HA2 0.555 4.530 3.960 0.024 0.000 0.281 298 G HA3 0.555 4.530 3.960 0.024 0.000 0.281 298 G C -1.189 173.767 174.900 0.094 0.000 1.223 298 G CA -0.739 44.412 45.100 0.085 0.000 0.871 298 G HN 0.456 nan 8.290 nan 0.000 0.492 299 R N -1.238 119.307 120.500 0.075 0.000 2.831 299 R HA 0.645 4.999 4.340 0.024 0.000 0.266 299 R C -1.473 174.926 176.300 0.164 0.000 1.051 299 R CA -0.732 55.444 56.100 0.126 0.000 0.943 299 R CB 1.665 32.069 30.300 0.174 0.000 1.228 299 R HN 0.611 nan 8.270 nan 0.000 0.467 300 I N 1.299 121.971 120.570 0.170 0.000 2.509 300 I HA 0.280 4.465 4.170 0.024 0.000 0.293 300 I C -0.618 175.593 176.117 0.157 0.000 1.020 300 I CA -1.055 60.346 61.300 0.168 0.000 1.088 300 I CB 1.333 39.402 38.000 0.114 0.000 1.267 300 I HN 0.229 nan 8.210 nan 0.000 0.430 301 L N 6.545 127.863 121.223 0.158 0.000 2.462 301 L HA 0.100 4.455 4.340 0.024 0.000 0.272 301 L C 1.587 178.472 176.870 0.025 0.000 1.166 301 L CA 0.498 55.369 54.840 0.051 0.000 0.880 301 L CB 0.929 43.044 42.059 0.094 0.000 1.142 301 L HN 0.811 nan 8.230 nan 0.000 0.473 302 T N -1.365 113.167 114.554 -0.036 0.000 3.067 302 T HA 0.032 4.397 4.350 0.024 0.000 0.261 302 T C 0.762 175.450 174.700 -0.020 0.000 1.110 302 T CA 0.501 62.585 62.100 -0.028 0.000 1.113 302 T CB 0.123 68.949 68.868 -0.069 0.000 0.917 302 T HN 0.621 nan 8.240 nan 0.000 0.499 303 S N -0.213 115.481 115.700 -0.009 0.000 2.588 303 S HA 0.476 4.960 4.470 0.024 0.000 0.269 303 S C -1.973 172.653 174.600 0.044 0.000 1.157 303 S CA -1.149 57.063 58.200 0.019 0.000 0.824 303 S CB 1.223 64.437 63.200 0.024 0.000 1.126 303 S HN 0.044 nan 8.310 nan 0.000 0.464 304 D N 1.229 121.655 120.400 0.044 0.000 2.488 304 D HA 0.393 5.047 4.640 0.024 0.000 0.238 304 D C -0.911 175.455 176.300 0.110 0.000 1.138 304 D CA 1.123 55.153 54.000 0.050 0.000 0.873 304 D CB 0.011 40.824 40.800 0.022 0.000 1.183 304 D HN 0.530 nan 8.370 nan 0.000 0.458 305 Y N 0.736 120.972 120.300 -0.107 0.000 2.390 305 Y HA 0.165 4.730 4.550 0.026 0.000 0.324 305 Y C -1.072 174.754 175.900 -0.123 0.000 1.151 305 Y CA -0.979 57.002 58.100 -0.198 0.000 1.053 305 Y CB 1.247 39.446 38.460 -0.435 0.000 1.277 305 Y HN 0.320 nan 8.280 nan 0.000 0.432 306 E N 6.071 126.007 120.200 -0.441 0.000 2.152 306 E HA 0.298 4.662 4.350 0.024 0.000 0.285 306 E C -1.820 174.366 176.600 -0.690 0.000 1.043 306 E CA -0.409 55.739 56.400 -0.420 0.000 0.839 306 E CB 0.531 30.093 29.700 -0.229 0.000 1.069 306 E HN 0.449 nan 8.360 nan 0.000 0.399 307 F N 5.401 124.967 119.950 -0.640 0.000 2.445 307 F HA 0.240 4.786 4.527 0.031 0.000 0.348 307 F C -0.278 175.426 175.800 -0.159 0.000 1.125 307 F CA -0.663 57.050 58.000 -0.478 0.000 0.983 307 F CB 0.424 39.280 39.000 -0.240 0.000 1.198 307 F HN 0.639 nan 8.300 nan 0.000 0.436 308 H N 4.130 122.868 119.070 -0.553 0.000 2.692 308 H HA -0.196 4.374 4.556 0.023 0.000 0.316 308 H C 1.445 176.619 175.328 -0.257 0.000 1.176 308 H CA 1.112 56.895 56.048 -0.442 0.000 1.142 308 H CB -1.074 28.335 29.762 -0.589 0.000 1.475 308 H HN 1.171 nan 8.280 nan 0.000 0.423 309 G N -1.170 107.532 108.800 -0.164 0.000 2.184 309 G HA2 -0.332 3.643 3.960 0.024 0.000 0.264 309 G HA3 -0.332 3.643 3.960 0.024 0.000 0.264 309 G C 0.324 175.180 174.900 -0.073 0.000 0.975 309 G CA 0.356 45.397 45.100 -0.100 0.000 0.642 309 G HN 0.469 nan 8.290 nan 0.000 0.536 310 V N 0.859 120.711 119.914 -0.104 0.000 2.394 310 V HA 0.570 4.705 4.120 0.024 0.000 0.282 310 V C 0.464 176.474 176.094 -0.139 0.000 1.031 310 V CA -0.682 61.549 62.300 -0.115 0.000 0.881 310 V CB 1.783 33.478 31.823 -0.212 0.000 0.982 310 V HN 0.351 nan 8.190 nan 0.000 0.451 311 Q N 4.688 124.461 119.800 -0.045 0.000 2.323 311 Q HA 0.404 4.758 4.340 0.024 0.000 0.257 311 Q C -1.015 175.038 176.000 0.089 0.000 1.022 311 Q CA 0.331 56.141 55.803 0.012 0.000 0.919 311 Q CB 0.434 29.224 28.738 0.087 0.000 1.220 311 Q HN 0.666 nan 8.270 nan 0.000 0.427 312 L N 3.463 124.681 121.223 -0.007 0.000 2.307 312 L HA 0.524 4.879 4.340 0.024 0.000 0.282 312 L C 0.175 177.118 176.870 0.122 0.000 1.051 312 L CA -0.807 54.091 54.840 0.098 0.000 0.804 312 L CB 1.351 43.387 42.059 -0.039 0.000 1.197 312 L HN 0.474 nan 8.230 nan 0.000 0.431 313 K N 2.821 123.313 120.400 0.154 0.000 2.138 313 K HA 0.240 4.574 4.320 0.024 0.000 0.263 313 K C -0.242 176.402 176.600 0.073 0.000 0.965 313 K CA -0.790 55.477 56.287 -0.033 0.000 0.868 313 K CB 1.345 33.617 32.500 -0.381 0.000 1.083 313 K HN 0.421 nan 8.250 nan 0.000 0.443 314 K N 2.142 122.563 120.400 0.035 0.000 2.530 314 K HA -0.123 4.212 4.320 0.024 0.000 0.280 314 K C 0.571 177.219 176.600 0.079 0.000 1.004 314 K CA 1.689 58.007 56.287 0.051 0.000 1.071 314 K CB -0.127 32.389 32.500 0.026 0.000 0.876 314 K HN 0.878 nan 8.250 nan 0.000 0.487 315 G N 3.162 112.025 108.800 0.105 0.000 2.241 315 G HA2 -0.233 3.741 3.960 0.024 0.000 0.244 315 G HA3 -0.233 3.741 3.960 0.024 0.000 0.244 315 G C -0.304 174.718 174.900 0.203 0.000 0.998 315 G CA 0.211 45.388 45.100 0.128 0.000 0.621 315 G HN 0.745 nan 8.290 nan 0.000 0.519 316 D N 1.732 122.305 120.400 0.288 0.000 2.472 316 D HA 0.371 5.026 4.640 0.024 0.000 0.237 316 D C 0.955 177.497 176.300 0.404 0.000 1.141 316 D CA 0.594 54.872 54.000 0.463 0.000 0.875 316 D CB 0.468 41.724 40.800 0.760 0.000 1.192 316 D HN 0.558 nan 8.370 nan 0.000 0.450 317 Q N 0.833 120.853 119.800 0.367 0.000 2.230 317 Q HA 0.580 4.934 4.340 0.024 0.000 0.248 317 Q C -0.268 175.963 176.000 0.385 0.000 0.915 317 Q CA -0.541 55.431 55.803 0.281 0.000 0.900 317 Q CB 2.282 31.105 28.738 0.141 0.000 1.229 317 Q HN 0.466 nan 8.270 nan 0.000 0.439 318 I N 2.577 123.330 120.570 0.304 0.000 2.447 318 I HA 0.247 4.432 4.170 0.024 0.000 0.287 318 I C -1.591 174.603 176.117 0.129 0.000 1.023 318 I CA -1.099 60.383 61.300 0.304 0.000 1.083 318 I CB 1.184 39.343 38.000 0.265 0.000 1.245 318 I HN 0.491 nan 8.210 nan 0.000 0.434 319 L N 8.435 129.753 121.223 0.157 0.000 2.319 319 L HA 0.435 4.790 4.340 0.024 0.000 0.280 319 L C -1.175 175.726 176.870 0.052 0.000 1.099 319 L CA 0.239 55.128 54.840 0.081 0.000 0.828 319 L CB 0.811 42.953 42.059 0.138 0.000 1.150 319 L HN 0.545 nan 8.230 nan 0.000 0.442 320 L N 7.698 128.915 121.223 -0.009 0.000 2.445 320 L HA 0.410 4.764 4.340 0.024 0.000 0.252 320 L C -2.250 174.667 176.870 0.078 0.000 1.105 320 L CA -1.602 53.177 54.840 -0.100 0.000 0.943 320 L CB 1.012 42.735 42.059 -0.560 0.000 1.277 320 L HN 0.488 nan 8.230 nan 0.000 0.465 321 P HA 0.143 nan 4.420 nan 0.000 0.275 321 P C 0.157 177.452 177.300 -0.009 0.000 1.276 321 P CA -0.186 62.927 63.100 0.022 0.000 0.782 321 P CB 1.103 32.845 31.700 0.069 0.000 0.851 322 Q N 2.651 122.445 119.800 -0.011 0.000 2.135 322 Q HA -0.194 4.161 4.340 0.024 0.000 0.204 322 Q C 1.892 177.821 176.000 -0.119 0.000 0.981 322 Q CA 1.647 57.432 55.803 -0.030 0.000 0.856 322 Q CB -0.581 28.110 28.738 -0.078 0.000 0.902 322 Q HN 0.510 nan 8.270 nan 0.000 0.425 323 M N -0.336 119.128 119.600 -0.226 0.000 2.144 323 M HA -0.213 4.281 4.480 0.024 0.000 0.260 323 M C 1.367 177.552 176.300 -0.193 0.000 1.067 323 M CA 1.535 56.665 55.300 -0.284 0.000 1.095 323 M CB 0.014 32.320 32.600 -0.489 0.000 1.365 323 M HN 0.297 nan 8.290 nan 0.000 0.406 324 L N -0.781 120.365 121.223 -0.129 0.000 2.240 324 L HA -0.098 4.257 4.340 0.024 0.000 0.211 324 L C 2.366 179.194 176.870 -0.070 0.000 1.106 324 L CA 0.485 55.279 54.840 -0.077 0.000 0.793 324 L CB -0.391 41.649 42.059 -0.031 0.000 0.927 324 L HN 0.302 nan 8.230 nan 0.000 0.446 325 S N 0.423 116.087 115.700 -0.060 0.000 2.353 325 S HA -0.162 4.323 4.470 0.024 0.000 0.222 325 S C 1.968 176.538 174.600 -0.050 0.000 1.035 325 S CA 1.508 59.676 58.200 -0.052 0.000 1.025 325 S CB -0.642 62.531 63.200 -0.044 0.000 0.902 325 S HN 0.591 nan 8.310 nan 0.000 0.440 326 G N 0.864 109.639 108.800 -0.043 0.000 2.534 326 G HA2 0.026 4.001 3.960 0.024 0.000 0.217 326 G HA3 0.026 4.001 3.960 0.024 0.000 0.217 326 G C 1.135 175.991 174.900 -0.074 0.000 1.128 326 G CA 0.198 45.278 45.100 -0.035 0.000 0.784 326 G HN 0.447 nan 8.290 nan 0.000 0.542 327 L N 0.110 121.278 121.223 -0.092 0.000 2.509 327 L HA 0.157 4.511 4.340 0.024 0.000 0.222 327 L C 0.617 177.445 176.870 -0.070 0.000 1.123 327 L CA -0.256 54.526 54.840 -0.096 0.000 0.856 327 L CB -0.035 41.962 42.059 -0.103 0.000 0.985 327 L HN 0.020 nan 8.230 nan 0.000 0.456 328 D N 1.773 122.135 120.400 -0.064 0.000 2.401 328 D HA -0.080 4.575 4.640 0.024 0.000 0.254 328 D C 1.329 177.599 176.300 -0.050 0.000 1.192 328 D CA 0.107 54.071 54.000 -0.059 0.000 0.885 328 D CB 1.073 41.836 40.800 -0.061 0.000 1.147 328 D HN 0.372 nan 8.370 nan 0.000 0.478 329 E N 3.663 123.835 120.200 -0.046 0.000 2.219 329 E HA -0.256 4.109 4.350 0.024 0.000 0.198 329 E C 1.095 177.675 176.600 -0.034 0.000 0.998 329 E CA 0.909 57.287 56.400 -0.037 0.000 0.818 329 E CB -0.061 29.618 29.700 -0.034 0.000 0.741 329 E HN 0.452 nan 8.360 nan 0.000 0.477 330 R N 0.462 120.938 120.500 -0.040 0.000 2.235 330 R HA 0.015 4.369 4.340 0.024 0.000 0.213 330 R C 1.796 178.076 176.300 -0.034 0.000 1.059 330 R CA 1.135 57.212 56.100 -0.038 0.000 0.997 330 R CB 0.039 30.312 30.300 -0.046 0.000 0.884 330 R HN 0.377 nan 8.270 nan 0.000 0.462 331 E N -0.142 120.036 120.200 -0.036 0.000 2.244 331 E HA 0.104 4.469 4.350 0.024 0.000 0.196 331 E C -0.052 176.535 176.600 -0.022 0.000 0.939 331 E CA 0.338 56.719 56.400 -0.031 0.000 0.884 331 E CB 0.476 30.154 29.700 -0.037 0.000 0.850 331 E HN 0.216 nan 8.360 nan 0.000 0.481 332 N N 0.467 119.154 118.700 -0.023 0.000 2.454 332 N HA 0.294 5.049 4.740 0.024 0.000 0.291 332 N C -1.157 174.345 175.510 -0.012 0.000 1.079 332 N CA -0.190 52.851 53.050 -0.014 0.000 0.893 332 N CB 2.182 40.658 38.487 -0.017 0.000 1.512 332 N HN -0.031 nan 8.380 nan 0.000 0.497 333 A N 1.454 124.273 122.820 -0.002 0.000 2.462 333 A HA 0.504 4.838 4.320 0.024 0.000 0.243 333 A C 0.990 178.582 177.584 0.012 0.000 1.076 333 A CA 0.489 52.526 52.037 0.001 0.000 0.773 333 A CB -0.145 18.858 19.000 0.005 0.000 1.010 333 A HN 1.246 nan 8.150 nan 0.000 0.493 334 A N 2.805 125.628 122.820 0.006 0.000 2.466 334 A HA -0.089 4.245 4.320 0.024 0.000 0.295 334 A C -0.694 176.905 177.584 0.025 0.000 1.465 334 A CA 0.641 52.689 52.037 0.019 0.000 0.744 334 A CB -1.511 17.508 19.000 0.031 0.000 1.098 334 A HN 0.762 nan 8.150 nan 0.000 0.402 335 P HA -0.170 nan 4.420 nan 0.000 0.220 335 P C 1.233 178.485 177.300 -0.081 0.000 1.148 335 P CA 1.246 64.318 63.100 -0.047 0.000 0.803 335 P CB -0.074 31.591 31.700 -0.057 0.000 0.782 336 M N -1.851 117.717 119.600 -0.053 0.000 2.595 336 M HA 0.033 4.527 4.480 0.024 0.000 0.248 336 M C 1.169 177.437 176.300 -0.054 0.000 1.119 336 M CA 0.186 55.435 55.300 -0.086 0.000 1.079 336 M CB -1.778 30.796 32.600 -0.043 0.000 1.472 336 M HN 0.105 nan 8.290 nan 0.000 0.501 337 H N 1.005 120.011 119.070 -0.105 0.000 2.646 337 H HA 0.301 4.871 4.556 0.024 0.000 0.325 337 H C -0.979 174.268 175.328 -0.135 0.000 1.075 337 H CA -0.354 55.647 56.048 -0.078 0.000 1.421 337 H CB 1.477 31.221 29.762 -0.029 0.000 1.461 337 H HN -0.164 nan 8.280 nan 0.000 0.525 338 V N 5.991 125.566 119.914 -0.566 0.000 2.389 338 V HA 0.005 4.139 4.120 0.024 0.000 0.264 338 V C 0.126 175.826 176.094 -0.657 0.000 1.049 338 V CA -0.108 61.825 62.300 -0.612 0.000 0.932 338 V CB 0.915 32.213 31.823 -0.874 0.000 1.011 338 V HN 0.712 nan 8.190 nan 0.000 0.475 339 D N 4.448 124.613 120.400 -0.391 0.000 2.440 339 D HA 0.328 4.983 4.640 0.024 0.000 0.252 339 D C 0.492 176.836 176.300 0.074 0.000 1.180 339 D CA -0.573 53.307 54.000 -0.199 0.000 0.894 339 D CB 0.966 41.718 40.800 -0.081 0.000 1.111 339 D HN 0.227 nan 8.370 nan 0.000 0.544 340 F N 1.275 121.260 119.950 0.060 0.000 2.408 340 F HA -0.023 4.518 4.527 0.024 0.000 0.300 340 F C 2.133 177.963 175.800 0.050 0.000 1.090 340 F CA 0.466 58.509 58.000 0.071 0.000 1.427 340 F CB -0.432 38.635 39.000 0.112 0.000 1.070 340 F HN 0.278 nan 8.300 nan 0.000 0.549 341 S N -0.835 114.990 115.700 0.209 0.000 2.582 341 S HA 0.100 4.585 4.470 0.024 0.000 0.234 341 S C 0.804 175.464 174.600 0.099 0.000 0.961 341 S CA -0.537 57.742 58.200 0.132 0.000 0.953 341 S CB -0.236 63.025 63.200 0.102 0.000 0.800 341 S HN 0.165 nan 8.310 nan 0.000 0.471 342 R N 1.818 122.378 120.500 0.100 0.000 2.537 342 R HA -0.003 4.351 4.340 0.024 0.000 0.281 342 R C 1.175 177.514 176.300 0.064 0.000 0.988 342 R CA 0.500 56.644 56.100 0.073 0.000 1.077 342 R CB 0.275 30.612 30.300 0.063 0.000 0.932 342 R HN 0.368 nan 8.270 nan 0.000 0.409 343 Q N 1.971 121.802 119.800 0.051 0.000 2.096 343 Q HA -0.108 4.246 4.340 0.024 0.000 0.197 343 Q C 0.094 176.116 176.000 0.037 0.000 0.964 343 Q CA 1.239 57.068 55.803 0.043 0.000 0.838 343 Q CB 0.175 28.935 28.738 0.035 0.000 0.906 343 Q HN 0.215 nan 8.270 nan 0.000 0.444 344 K N 0.582 121.002 120.400 0.033 0.000 2.579 344 K HA 0.232 4.566 4.320 0.024 0.000 0.250 344 K C -1.567 175.051 176.600 0.030 0.000 0.952 344 K CA -0.368 55.936 56.287 0.027 0.000 0.857 344 K CB 1.691 34.200 32.500 0.016 0.000 1.123 344 K HN -0.234 nan 8.250 nan 0.000 0.433 345 V N 4.123 124.063 119.914 0.043 0.000 2.299 345 V HA 0.266 4.400 4.120 0.024 0.000 0.255 345 V C -0.323 175.799 176.094 0.048 0.000 1.100 345 V CA -0.446 61.893 62.300 0.064 0.000 0.938 345 V CB 0.451 32.338 31.823 0.106 0.000 1.139 345 V HN 0.757 nan 8.190 nan 0.000 0.490 346 S N 4.664 120.376 115.700 0.021 0.000 2.475 346 S HA 0.691 5.175 4.470 0.024 0.000 0.281 346 S C -0.344 174.270 174.600 0.023 0.000 1.198 346 S CA -0.464 57.720 58.200 -0.027 0.000 1.063 346 S CB 0.565 63.748 63.200 -0.028 0.000 0.972 346 S HN 1.068 nan 8.310 nan 0.000 0.486 347 H N -1.172 117.874 119.070 -0.040 0.000 3.003 347 H HA 0.578 5.148 4.556 0.023 0.000 0.327 347 H C -0.509 174.789 175.328 -0.050 0.000 1.353 347 H CA -0.863 55.143 56.048 -0.071 0.000 1.142 347 H CB 0.583 30.280 29.762 -0.109 0.000 1.864 347 H HN 0.349 nan 8.280 nan 0.000 0.529 348 T N -1.931 112.702 114.554 0.131 0.000 3.448 348 T HA 0.178 4.543 4.350 0.024 0.000 0.271 348 T C 0.413 175.169 174.700 0.094 0.000 1.002 348 T CA 0.066 62.230 62.100 0.108 0.000 0.995 348 T CB -0.431 68.461 68.868 0.039 0.000 1.153 348 T HN 0.626 nan 8.240 nan 0.000 0.510 349 T N 1.328 115.972 114.554 0.151 0.000 2.788 349 T HA 0.032 4.397 4.350 0.024 0.000 0.268 349 T C 0.489 174.966 174.700 -0.371 0.000 1.044 349 T CA 1.254 63.167 62.100 -0.311 0.000 1.139 349 T CB -0.384 68.012 68.868 -0.787 0.000 0.867 349 T HN 0.515 nan 8.240 nan 0.000 0.454 350 F N 1.182 121.136 119.950 0.006 0.000 2.664 350 F HA 0.457 4.997 4.527 0.022 0.000 0.301 350 F C 1.637 177.402 175.800 -0.060 0.000 1.126 350 F CA -0.247 57.724 58.000 -0.049 0.000 1.373 350 F CB -0.604 38.368 39.000 -0.047 0.000 1.042 350 F HN 0.285 nan 8.300 nan 0.000 0.535 351 G N 0.020 108.854 108.800 0.056 0.000 2.660 351 G HA2 -0.105 3.869 3.960 0.024 0.000 0.215 351 G HA3 -0.105 3.869 3.960 0.024 0.000 0.215 351 G C -1.389 173.532 174.900 0.035 0.000 1.345 351 G CA -0.547 44.510 45.100 -0.072 0.000 0.877 351 G HN 0.544 nan 8.290 nan 0.000 0.549 352 H N -1.122 117.831 119.070 -0.195 0.000 3.094 352 H HA 0.667 5.237 4.556 0.023 0.000 0.346 352 H C 0.554 175.884 175.328 0.005 0.000 1.238 352 H CA 1.845 57.867 56.048 -0.043 0.000 1.209 352 H CB 1.256 31.050 29.762 0.053 0.000 1.911 352 H HN 2.663 nan 8.280 nan 0.000 0.540 353 G N 1.143 109.718 108.800 -0.375 0.000 2.584 353 G HA2 -0.265 3.709 3.960 0.024 0.000 0.229 353 G HA3 -0.265 3.709 3.960 0.024 0.000 0.229 353 G C 1.154 176.019 174.900 -0.057 0.000 1.320 353 G CA 0.593 45.626 45.100 -0.111 0.000 0.891 353 G HN 1.420 nan 8.290 nan 0.000 0.573 354 S N -1.085 114.608 115.700 -0.011 0.000 2.474 354 S HA -0.039 4.446 4.470 0.024 0.000 0.235 354 S C 1.406 175.858 174.600 -0.247 0.000 0.997 354 S CA 1.840 59.949 58.200 -0.152 0.000 0.949 354 S CB -0.259 62.781 63.200 -0.266 0.000 0.766 354 S HN 0.742 nan 8.310 nan 0.000 0.517 355 H N 0.347 119.400 119.070 -0.029 0.000 2.529 355 H HA 0.360 4.930 4.556 0.023 0.000 0.277 355 H C 0.420 175.719 175.328 -0.048 0.000 1.004 355 H CA -0.376 55.656 56.048 -0.026 0.000 1.167 355 H CB -0.061 29.693 29.762 -0.013 0.000 1.445 355 H HN 0.368 nan 8.280 nan 0.000 0.554 356 L N 1.597 122.824 121.223 0.007 0.000 2.615 356 L HA -0.100 4.254 4.340 0.024 0.000 0.284 356 L C 0.619 177.484 176.870 -0.009 0.000 1.237 356 L CA 0.136 54.972 54.840 -0.007 0.000 0.905 356 L CB 0.392 42.431 42.059 -0.033 0.000 1.149 356 L HN 0.306 nan 8.230 nan 0.000 0.499 357 C N 5.976 125.279 119.300 0.005 0.000 2.334 357 C HA -0.067 4.407 4.460 0.024 0.000 0.395 357 C C 1.769 176.673 174.990 -0.144 0.000 1.507 357 C CA -0.156 58.839 59.018 -0.039 0.000 1.494 357 C CB -1.159 26.586 27.740 0.007 0.000 2.509 357 C HN 0.884 nan 8.230 nan 0.000 0.599 358 L N 5.175 126.348 121.223 -0.084 0.000 2.341 358 L HA 0.153 4.508 4.340 0.024 0.000 0.214 358 L C 2.459 179.254 176.870 -0.124 0.000 1.115 358 L CA 1.211 56.005 54.840 -0.077 0.000 0.820 358 L CB -0.537 41.523 42.059 0.001 0.000 0.944 358 L HN 0.950 nan 8.230 nan 0.000 0.452 359 G N -0.039 108.674 108.800 -0.144 0.000 2.920 359 G HA2 -0.124 3.851 3.960 0.024 0.000 0.208 359 G HA3 -0.124 3.851 3.960 0.024 0.000 0.208 359 G C 1.422 176.133 174.900 -0.315 0.000 1.159 359 G CA 0.136 45.152 45.100 -0.140 0.000 0.784 359 G HN 0.551 nan 8.290 nan 0.000 0.535 360 Q N -0.098 119.302 119.800 -0.668 0.000 2.181 360 Q HA -0.196 4.158 4.340 0.024 0.000 0.205 360 Q C 1.861 177.393 176.000 -0.780 0.000 0.980 360 Q CA 1.467 56.543 55.803 -1.211 0.000 0.862 360 Q CB -0.547 27.123 28.738 -1.780 0.000 0.905 360 Q HN 0.501 nan 8.270 nan 0.000 0.429 361 H N 0.316 119.226 119.070 -0.266 0.000 2.363 361 H HA -0.035 4.536 4.556 0.024 0.000 0.301 361 H C 2.164 177.450 175.328 -0.070 0.000 1.074 361 H CA 1.234 57.200 56.048 -0.137 0.000 1.354 361 H CB -0.210 29.493 29.762 -0.098 0.000 1.397 361 H HN 0.248 nan 8.280 nan 0.000 0.516 362 L N 1.332 122.570 121.223 0.025 0.000 2.046 362 L HA -0.059 4.295 4.340 0.024 0.000 0.208 362 L C 2.565 179.451 176.870 0.027 0.000 1.077 362 L CA 1.719 56.576 54.840 0.028 0.000 0.747 362 L CB -0.865 41.207 42.059 0.022 0.000 0.896 362 L HN 0.186 nan 8.230 nan 0.000 0.432 363 A N -0.365 122.452 122.820 -0.005 0.000 1.865 363 A HA -0.239 4.096 4.320 0.024 0.000 0.217 363 A C 2.437 180.090 177.584 0.115 0.000 1.191 363 A CA 1.944 54.021 52.037 0.066 0.000 0.623 363 A CB -0.604 18.465 19.000 0.115 0.000 0.826 363 A HN 0.486 nan 8.150 nan 0.000 0.444 364 R N -1.276 119.273 120.500 0.081 0.000 2.091 364 R HA -0.086 4.269 4.340 0.024 0.000 0.238 364 R C 2.459 178.841 176.300 0.136 0.000 1.136 364 R CA 1.217 57.389 56.100 0.120 0.000 0.959 364 R CB -0.289 30.069 30.300 0.096 0.000 0.856 364 R HN 0.322 nan 8.270 nan 0.000 0.437 365 R N 1.057 121.630 120.500 0.121 0.000 2.081 365 R HA -0.112 4.242 4.340 0.024 0.000 0.235 365 R C 1.998 178.422 176.300 0.207 0.000 1.131 365 R CA 1.433 57.616 56.100 0.139 0.000 0.960 365 R CB -0.310 30.056 30.300 0.110 0.000 0.856 365 R HN 0.416 nan 8.270 nan 0.000 0.436 366 E N 0.074 120.406 120.200 0.221 0.000 2.077 366 E HA -0.150 4.215 4.350 0.024 0.000 0.193 366 E C 2.082 178.961 176.600 0.464 0.000 0.989 366 E CA 1.141 57.771 56.400 0.383 0.000 0.800 366 E CB -0.140 29.684 29.700 0.206 0.000 0.746 366 E HN 0.286 nan 8.360 nan 0.000 0.452 367 I N 0.679 121.450 120.570 0.335 0.000 2.202 367 I HA -0.256 3.928 4.170 0.024 0.000 0.242 367 I C 2.310 178.569 176.117 0.237 0.000 1.091 367 I CA 1.020 62.515 61.300 0.325 0.000 1.368 367 I CB -0.163 38.037 38.000 0.333 0.000 1.058 367 I HN 0.074 nan 8.210 nan 0.000 0.410 368 I N -0.085 120.599 120.570 0.190 0.000 2.226 368 I HA -0.243 3.942 4.170 0.024 0.000 0.245 368 I C 2.494 178.690 176.117 0.132 0.000 1.100 368 I CA 1.090 62.470 61.300 0.133 0.000 1.374 368 I CB -0.268 37.797 38.000 0.108 0.000 1.057 368 I HN 0.016 nan 8.210 nan 0.000 0.413 369 V N 0.379 120.396 119.914 0.173 0.000 2.343 369 V HA -0.289 3.845 4.120 0.024 0.000 0.247 369 V C 2.494 178.652 176.094 0.108 0.000 1.051 369 V CA 2.454 64.849 62.300 0.157 0.000 1.036 369 V CB -0.882 31.083 31.823 0.237 0.000 0.654 369 V HN 0.465 nan 8.190 nan 0.000 0.451 370 T N 0.448 115.080 114.554 0.129 0.000 2.708 370 T HA -0.152 4.213 4.350 0.024 0.000 0.266 370 T C 1.885 176.624 174.700 0.064 0.000 1.037 370 T CA 1.657 63.792 62.100 0.058 0.000 1.146 370 T CB -0.312 68.655 68.868 0.165 0.000 0.865 370 T HN 0.291 nan 8.240 nan 0.000 0.435 371 L N 0.612 121.885 121.223 0.084 0.000 2.017 371 L HA -0.113 4.242 4.340 0.024 0.000 0.208 371 L C 2.720 179.640 176.870 0.084 0.000 1.073 371 L CA 1.484 56.367 54.840 0.072 0.000 0.745 371 L CB -0.471 41.621 42.059 0.055 0.000 0.894 371 L HN 0.214 nan 8.230 nan 0.000 0.432 372 K N -0.155 120.286 120.400 0.069 0.000 2.025 372 K HA -0.169 4.165 4.320 0.024 0.000 0.207 372 K C 2.004 178.629 176.600 0.043 0.000 1.049 372 K CA 1.251 57.571 56.287 0.055 0.000 0.933 372 K CB 0.154 32.683 32.500 0.048 0.000 0.714 372 K HN 0.165 nan 8.250 nan 0.000 0.438 373 E N -0.120 120.102 120.200 0.036 0.000 2.216 373 E HA -0.162 4.203 4.350 0.024 0.000 0.192 373 E C 1.601 178.172 176.600 -0.050 0.000 0.988 373 E CA 0.473 56.868 56.400 -0.008 0.000 0.834 373 E CB -0.208 29.486 29.700 -0.011 0.000 0.772 373 E HN 0.507 nan 8.360 nan 0.000 0.479 374 W N 1.301 122.481 121.300 -0.200 0.000 2.408 374 W HA -0.063 4.612 4.660 0.025 0.000 0.311 374 W C 1.688 178.086 176.519 -0.201 0.000 1.190 374 W CA 0.885 58.057 57.345 -0.287 0.000 1.321 374 W CB -0.311 28.920 29.460 -0.382 0.000 1.143 374 W HN 0.013 nan 8.180 nan 0.000 0.501 375 L N 0.356 121.682 121.223 0.173 0.000 2.291 375 L HA -0.164 4.190 4.340 0.024 0.000 0.214 375 L C 2.336 179.215 176.870 0.013 0.000 1.120 375 L CA 1.312 56.238 54.840 0.143 0.000 0.799 375 L CB -1.043 41.119 42.059 0.172 0.000 0.925 375 L HN -0.154 nan 8.230 nan 0.000 0.446 376 T N -0.547 113.992 114.554 -0.026 0.000 2.788 376 T HA -0.142 4.222 4.350 0.024 0.000 0.268 376 T C 2.059 176.695 174.700 -0.107 0.000 1.044 376 T CA 1.340 63.410 62.100 -0.050 0.000 1.139 376 T CB -0.015 68.828 68.868 -0.041 0.000 0.867 376 T HN 0.336 nan 8.240 nan 0.000 0.454 377 R N -0.270 120.106 120.500 -0.207 0.000 2.167 377 R HA 0.349 4.703 4.340 0.024 0.000 0.201 377 R C 0.476 176.555 176.300 -0.369 0.000 1.024 377 R CA 0.536 56.471 56.100 -0.277 0.000 1.053 377 R CB 0.490 30.582 30.300 -0.346 0.000 0.987 377 R HN 0.288 nan 8.270 nan 0.000 0.493 378 I N 2.479 122.731 120.570 -0.531 0.000 2.833 378 I HA 0.192 4.377 4.170 0.024 0.000 0.286 378 I C -1.955 174.069 176.117 -0.155 0.000 1.287 378 I CA -1.606 59.326 61.300 -0.613 0.000 1.046 378 I CB 1.873 39.035 38.000 -1.396 0.000 1.612 378 I HN -0.111 nan 8.210 nan 0.000 0.585 379 P HA -0.075 nan 4.420 nan 0.000 0.221 379 P C 0.205 177.589 177.300 0.141 0.000 1.150 379 P CA 1.267 64.425 63.100 0.097 0.000 0.800 379 P CB 0.460 32.179 31.700 0.032 0.000 0.787 380 D N -0.228 120.257 120.400 0.140 0.000 2.492 380 D HA 0.417 5.072 4.640 0.024 0.000 0.248 380 D C -0.888 175.570 176.300 0.264 0.000 1.101 380 D CA -0.636 53.413 54.000 0.081 0.000 0.840 380 D CB 1.075 41.912 40.800 0.062 0.000 1.209 380 D HN -0.093 nan 8.370 nan 0.000 0.524 381 F N 0.047 120.053 119.950 0.093 0.000 2.713 381 F HA 0.753 5.295 4.527 0.024 0.000 0.311 381 F C -1.057 174.816 175.800 0.122 0.000 1.141 381 F CA -0.866 57.252 58.000 0.196 0.000 0.939 381 F CB 1.079 40.212 39.000 0.221 0.000 1.325 381 F HN 0.053 nan 8.300 nan 0.000 0.453 382 S N 0.929 116.811 115.700 0.303 0.000 2.651 382 S HA 0.653 5.137 4.470 0.024 0.000 0.279 382 S C -1.130 173.586 174.600 0.192 0.000 1.148 382 S CA -0.831 57.442 58.200 0.121 0.000 0.837 382 S CB 1.804 65.041 63.200 0.061 0.000 1.138 382 S HN 0.604 nan 8.310 nan 0.000 0.478 383 I N 2.037 122.664 120.570 0.096 0.000 2.634 383 I HA 0.211 4.396 4.170 0.024 0.000 0.284 383 I C 1.065 177.232 176.117 0.083 0.000 1.124 383 I CA -0.327 61.027 61.300 0.090 0.000 1.417 383 I CB -0.085 37.941 38.000 0.042 0.000 1.396 383 I HN 0.825 nan 8.210 nan 0.000 0.571 384 A N 8.615 131.485 122.820 0.084 0.000 2.565 384 A HA 0.181 4.515 4.320 0.024 0.000 0.237 384 A C -2.073 175.534 177.584 0.038 0.000 1.053 384 A CA -0.613 51.458 52.037 0.057 0.000 0.755 384 A CB -1.006 18.022 19.000 0.048 0.000 0.980 384 A HN 0.513 nan 8.150 nan 0.000 0.506 385 P HA 0.192 nan 4.420 nan 0.000 0.261 385 P C 1.095 178.404 177.300 0.016 0.000 1.183 385 P CA 1.939 65.050 63.100 0.019 0.000 0.761 385 P CB 0.434 32.142 31.700 0.013 0.000 0.785 386 G N 2.215 111.023 108.800 0.013 0.000 2.168 386 G HA2 -0.224 3.750 3.960 0.024 0.000 0.263 386 G HA3 -0.224 3.750 3.960 0.024 0.000 0.263 386 G C 0.460 175.368 174.900 0.014 0.000 0.977 386 G CA 0.054 45.161 45.100 0.011 0.000 0.659 386 G HN 0.861 nan 8.290 nan 0.000 0.533 387 A N -0.052 122.779 122.820 0.019 0.000 2.388 387 A HA 0.640 4.974 4.320 0.024 0.000 0.257 387 A C 0.447 178.041 177.584 0.017 0.000 1.095 387 A CA 0.111 52.161 52.037 0.022 0.000 0.791 387 A CB 0.423 19.442 19.000 0.031 0.000 1.029 387 A HN 0.337 nan 8.150 nan 0.000 0.489 388 Q N 1.932 121.741 119.800 0.015 0.000 2.325 388 Q HA 0.324 4.678 4.340 0.024 0.000 0.262 388 Q C -0.674 175.331 176.000 0.009 0.000 0.968 388 Q CA -0.514 55.293 55.803 0.007 0.000 0.877 388 Q CB 1.676 30.417 28.738 0.005 0.000 1.253 388 Q HN 0.599 nan 8.270 nan 0.000 0.448 389 I N 2.742 123.311 120.570 -0.001 0.000 2.416 389 I HA 0.134 4.318 4.170 0.024 0.000 0.288 389 I C 0.460 176.558 176.117 -0.030 0.000 1.051 389 I CA -0.040 61.265 61.300 0.008 0.000 1.375 389 I CB 0.482 38.499 38.000 0.028 0.000 1.407 389 I HN 0.396 nan 8.210 nan 0.000 0.516 390 Q N 5.845 125.667 119.800 0.037 0.000 2.307 390 Q HA 0.409 4.764 4.340 0.024 0.000 0.262 390 Q C -0.687 175.433 176.000 0.200 0.000 0.961 390 Q CA -0.457 55.380 55.803 0.056 0.000 0.882 390 Q CB 1.878 30.655 28.738 0.065 0.000 1.264 390 Q HN 0.577 nan 8.270 nan 0.000 0.446 391 H N 1.088 120.228 119.070 0.117 0.000 2.517 391 H HA 0.463 5.033 4.556 0.024 0.000 0.346 391 H C -0.421 174.995 175.328 0.147 0.000 1.222 391 H CA -1.010 55.136 56.048 0.164 0.000 1.314 391 H CB 1.373 31.302 29.762 0.280 0.000 1.609 391 H HN 0.442 nan 8.280 nan 0.000 0.571 392 K N 0.372 120.947 120.400 0.292 0.000 2.468 392 K HA 0.507 4.842 4.320 0.024 0.000 0.252 392 K C -1.212 175.531 176.600 0.240 0.000 0.932 392 K CA -0.889 55.526 56.287 0.214 0.000 0.794 392 K CB 2.541 35.130 32.500 0.149 0.000 1.241 392 K HN 0.362 nan 8.250 nan 0.000 0.428 393 S N 0.821 116.662 115.700 0.235 0.000 2.537 393 S HA 0.897 5.381 4.470 0.024 0.000 0.301 393 S C -0.354 174.363 174.600 0.195 0.000 1.092 393 S CA 0.193 58.558 58.200 0.275 0.000 1.048 393 S CB 1.380 64.789 63.200 0.349 0.000 1.053 393 S HN 0.982 nan 8.310 nan 0.000 0.501 394 G N 2.498 111.367 108.800 0.114 0.000 2.393 394 G HA2 0.232 4.206 3.960 0.024 0.000 0.264 394 G HA3 0.232 4.206 3.960 0.024 0.000 0.264 394 G C 0.259 175.063 174.900 -0.161 0.000 1.221 394 G CA -0.372 44.670 45.100 -0.097 0.000 0.912 394 G HN 0.547 nan 8.290 nan 0.000 0.483 395 I N 0.074 120.532 120.570 -0.186 0.000 2.208 395 I HA -0.008 4.177 4.170 0.024 0.000 0.245 395 I C 0.923 176.927 176.117 -0.188 0.000 1.097 395 I CA 1.538 62.664 61.300 -0.290 0.000 1.363 395 I CB -0.822 36.862 38.000 -0.526 0.000 1.051 395 I HN 0.022 nan 8.210 nan 0.000 0.413 396 V N 0.696 120.561 119.914 -0.082 0.000 2.540 396 V HA 0.311 4.446 4.120 0.024 0.000 0.302 396 V C 0.146 176.253 176.094 0.022 0.000 1.035 396 V CA -0.590 61.686 62.300 -0.041 0.000 0.873 396 V CB 1.858 33.681 31.823 -0.000 0.000 0.992 396 V HN 0.094 nan 8.190 nan 0.000 0.428 397 S N 2.093 117.820 115.700 0.045 0.000 2.646 397 S HA 0.886 5.370 4.470 0.024 0.000 0.276 397 S C 0.384 175.152 174.600 0.280 0.000 1.222 397 S CA 0.027 58.326 58.200 0.165 0.000 1.014 397 S CB 1.751 65.027 63.200 0.127 0.000 0.991 397 S HN 1.169 nan 8.310 nan 0.000 0.533 398 G N -0.249 108.685 108.800 0.223 0.000 2.721 398 G HA2 0.587 4.561 3.960 0.024 0.000 0.296 398 G HA3 0.587 4.561 3.960 0.024 0.000 0.296 398 G C -1.828 172.910 174.900 -0.269 0.000 1.383 398 G CA -0.496 44.536 45.100 -0.112 0.000 0.788 398 G HN 0.614 nan 8.290 nan 0.000 0.500 399 V N 0.959 120.618 119.914 -0.425 0.000 2.448 399 V HA 0.289 4.424 4.120 0.024 0.000 0.295 399 V C 0.991 177.053 176.094 -0.053 0.000 1.025 399 V CA -0.422 61.742 62.300 -0.228 0.000 0.859 399 V CB 1.428 33.028 31.823 -0.371 0.000 0.988 399 V HN 0.864 nan 8.190 nan 0.000 0.431 400 Q N 2.700 122.530 119.800 0.049 0.000 2.079 400 Q HA 0.107 4.461 4.340 0.024 0.000 0.200 400 Q C 0.629 176.652 176.000 0.038 0.000 0.974 400 Q CA 1.521 57.353 55.803 0.048 0.000 0.840 400 Q CB 0.394 29.174 28.738 0.070 0.000 0.898 400 Q HN 0.899 nan 8.270 nan 0.000 0.430 401 A N 0.075 122.924 122.820 0.048 0.000 2.594 401 A HA 0.528 4.862 4.320 0.024 0.000 0.296 401 A C -1.933 175.690 177.584 0.066 0.000 1.061 401 A CA -0.610 51.459 52.037 0.054 0.000 0.689 401 A CB 1.435 20.467 19.000 0.053 0.000 1.280 401 A HN 0.100 nan 8.150 nan 0.000 0.406 402 L N 2.829 124.106 121.223 0.090 0.000 2.489 402 L HA 0.501 4.856 4.340 0.024 0.000 0.257 402 L C -2.677 174.274 176.870 0.135 0.000 1.215 402 L CA -1.404 53.495 54.840 0.099 0.000 0.915 402 L CB 1.821 43.935 42.059 0.091 0.000 1.146 402 L HN 0.436 nan 8.230 nan 0.000 0.494 403 P HA 0.258 nan 4.420 nan 0.000 0.281 403 P C -0.935 176.454 177.300 0.149 0.000 1.286 403 P CA 0.043 63.216 63.100 0.121 0.000 0.772 403 P CB 0.970 32.717 31.700 0.079 0.000 0.862 404 L N 4.078 125.437 121.223 0.225 0.000 2.330 404 L HA 0.707 5.061 4.340 0.024 0.000 0.271 404 L C 0.560 177.612 176.870 0.304 0.000 1.013 404 L CA -1.208 53.830 54.840 0.330 0.000 0.816 404 L CB 2.129 44.468 42.059 0.467 0.000 1.287 404 L HN 0.211 nan 8.230 nan 0.000 0.435 405 V N -1.132 118.984 119.914 0.337 0.000 2.962 405 V HA 0.810 4.944 4.120 0.024 0.000 0.313 405 V C -1.587 174.762 176.094 0.425 0.000 1.099 405 V CA -0.594 61.791 62.300 0.142 0.000 0.971 405 V CB 1.792 33.632 31.823 0.029 0.000 1.028 405 V HN 0.966 nan 8.190 nan 0.000 0.430 406 W N 0.777 122.146 121.300 0.115 0.000 3.066 406 W HA 0.726 5.401 4.660 0.024 0.000 0.330 406 W C -1.581 174.975 176.519 0.061 0.000 1.253 406 W CA -0.716 56.697 57.345 0.112 0.000 1.187 406 W CB 0.909 30.463 29.460 0.158 0.000 1.434 406 W HN 0.693 nan 8.180 nan 0.000 0.572 407 D N 2.258 122.823 120.400 0.274 0.000 2.325 407 D HA 0.313 4.968 4.640 0.024 0.000 0.251 407 D C -1.419 175.028 176.300 0.245 0.000 1.196 407 D CA -2.386 51.706 54.000 0.152 0.000 0.866 407 D CB 1.777 42.646 40.800 0.115 0.000 1.101 407 D HN 0.077 nan 8.370 nan 0.000 0.476 408 P HA -0.081 nan 4.420 nan 0.000 0.221 408 P C 0.887 178.266 177.300 0.131 0.000 1.145 408 P CA 0.979 64.200 63.100 0.201 0.000 0.795 408 P CB 0.168 31.921 31.700 0.088 0.000 0.775 409 A N -0.345 122.529 122.820 0.090 0.000 2.070 409 A HA -0.140 4.195 4.320 0.024 0.000 0.220 409 A C 2.060 179.680 177.584 0.061 0.000 1.159 409 A CA 2.050 54.123 52.037 0.060 0.000 0.656 409 A CB -1.687 17.339 19.000 0.043 0.000 0.800 409 A HN 0.353 nan 8.150 nan 0.000 0.453 410 T N -2.358 112.249 114.554 0.088 0.000 3.100 410 T HA 0.112 4.477 4.350 0.024 0.000 0.253 410 T C 0.954 175.680 174.700 0.043 0.000 1.118 410 T CA 0.804 62.946 62.100 0.069 0.000 1.058 410 T CB -0.928 67.993 68.868 0.089 0.000 0.953 410 T HN 0.541 nan 8.240 nan 0.000 0.515 411 T N -0.510 114.072 114.554 0.048 0.000 2.824 411 T HA 0.481 4.845 4.350 0.024 0.000 0.277 411 T C -0.520 174.163 174.700 -0.028 0.000 0.975 411 T CA -0.916 61.172 62.100 -0.020 0.000 0.966 411 T CB 1.529 70.390 68.868 -0.011 0.000 1.054 411 T HN 0.286 nan 8.240 nan 0.000 0.533 412 K N 0.390 120.750 120.400 -0.067 0.000 2.578 412 K HA 0.574 4.908 4.320 0.024 0.000 0.250 412 K C -0.957 175.604 176.600 -0.065 0.000 0.955 412 K CA -0.835 55.421 56.287 -0.051 0.000 0.825 412 K CB 1.596 34.067 32.500 -0.047 0.000 1.151 412 K HN 0.901 nan 8.250 nan 0.000 0.432 413 A N 3.867 126.662 122.820 -0.042 0.000 2.409 413 A HA 0.357 4.692 4.320 0.024 0.000 0.267 413 A C 0.089 177.652 177.584 -0.034 0.000 1.127 413 A CA -0.463 51.549 52.037 -0.041 0.000 0.795 413 A CB 0.487 19.473 19.000 -0.024 0.000 1.061 413 A HN 0.488 nan 8.150 nan 0.000 0.502 414 V N 0.000 119.891 119.914 -0.038 0.000 2.409 414 V HA 0.000 4.134 4.120 0.024 0.000 0.244 414 V CA 0.000 62.283 62.300 -0.028 0.000 1.235 414 V CB 0.000 31.805 31.823 -0.031 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556