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 2qfs_1_A DATA FIRST_RESID 1 DATA SEQUENCE MESLTLQPIA RVDGTINLPG SKSVSNRALL LAALAHGKTV LTNLLDSDDV DATA SEQUENCE RHMLNALTAL GVSYTLSADR TRCEIIGNGG PLHAEGALEL FLGNAGTAMR DATA SEQUENCE SLAAALCLGS NDIVLTGEPR MKERPIGHLV DALRLGGAKI TYLEQENYPP DATA SEQUENCE LRLQGGFTGG NVDVDGSVSS QFLTALLMTA PLAPEDTVIR IKGDLVSKPY DATA SEQUENCE IDITLNLMKT FGVEIENQHY QQFVVKGGQS YQSPGTYLVE GDASSASYFL DATA SEQUENCE AAAAIKGGTV KVTGIGRNSM QGDIRFADVL EKMGATICWG DDYISCTRGE DATA SEQUENCE LNAIDMDMNH IPDAAMTIAT AALFAKGTTT LRNIYNWRVK ETDRLFAMAT DATA SEQUENCE ELRKVGAEVE EGHDYIRITP PEKLNFAEIA TYNDHRMAMC FSLVALSDTP DATA SEQUENCE VTILDPKCTA KTFPDYFEQL ARISQAA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.287 176.300 -0.021 0.000 1.140 1 M CA 0.000 55.287 55.300 -0.021 0.000 0.988 1 M CB 0.000 32.583 32.600 -0.028 0.000 1.302 2 E N 1.480 121.668 120.200 -0.020 0.000 2.383 2 E HA 0.554 4.903 4.350 -0.001 0.000 0.264 2 E C -0.756 175.824 176.600 -0.033 0.000 1.050 2 E CA 0.250 56.636 56.400 -0.023 0.000 0.896 2 E CB 1.141 30.831 29.700 -0.017 0.000 0.982 2 E HN 0.690 nan 8.360 nan 0.000 0.424 3 S N 2.083 117.758 115.700 -0.043 0.000 2.588 3 S HA 0.619 5.089 4.470 -0.001 0.000 0.269 3 S C -1.262 173.285 174.600 -0.089 0.000 1.157 3 S CA -1.077 57.089 58.200 -0.058 0.000 0.824 3 S CB 1.204 64.384 63.200 -0.033 0.000 1.126 3 S HN 0.441 nan 8.310 nan 0.000 0.464 4 L N 0.994 122.137 121.223 -0.133 0.000 2.436 4 L HA 0.761 5.100 4.340 -0.001 0.000 0.268 4 L C -1.401 175.392 176.870 -0.129 0.000 0.974 4 L CA -0.211 54.515 54.840 -0.191 0.000 0.826 4 L CB 2.233 44.040 42.059 -0.419 0.000 1.291 4 L HN 0.901 nan 8.230 nan 0.000 0.406 5 T N 5.624 120.136 114.554 -0.071 0.000 2.771 5 T HA 0.507 4.856 4.350 -0.001 0.000 0.281 5 T C -0.311 174.387 174.700 -0.003 0.000 0.982 5 T CA -0.299 61.807 62.100 0.009 0.000 0.978 5 T CB 1.106 70.009 68.868 0.058 0.000 0.930 5 T HN 0.391 nan 8.240 nan 0.000 0.447 6 L N 3.785 125.030 121.223 0.037 0.000 2.264 6 L HA 0.397 4.736 4.340 -0.001 0.000 0.289 6 L C 0.723 177.643 176.870 0.083 0.000 1.044 6 L CA -0.760 54.113 54.840 0.055 0.000 0.807 6 L CB 1.162 43.281 42.059 0.100 0.000 1.192 6 L HN 0.516 nan 8.230 nan 0.000 0.425 7 Q N 3.699 123.537 119.800 0.062 0.000 2.382 7 Q HA 0.273 4.613 4.340 -0.001 0.000 0.229 7 Q C -2.187 173.857 176.000 0.073 0.000 1.006 7 Q CA -1.812 54.030 55.803 0.064 0.000 0.916 7 Q CB 0.526 29.288 28.738 0.039 0.000 1.235 7 Q HN 0.341 nan 8.270 nan 0.000 0.512 8 P HA -0.044 nan 4.420 nan 0.000 0.264 8 P C -0.975 176.358 177.300 0.055 0.000 1.183 8 P CA 0.784 63.929 63.100 0.075 0.000 0.763 8 P CB 0.335 32.078 31.700 0.070 0.000 0.807 9 I N 2.328 122.929 120.570 0.051 0.000 2.328 9 I HA 0.241 4.411 4.170 -0.001 0.000 0.287 9 I C 1.274 177.400 176.117 0.016 0.000 1.012 9 I CA -0.390 60.929 61.300 0.031 0.000 1.195 9 I CB 1.597 39.616 38.000 0.030 0.000 1.350 9 I HN 0.368 nan 8.210 nan 0.000 0.464 10 A N 6.531 129.359 122.820 0.013 0.000 1.968 10 A HA 0.041 4.360 4.320 -0.001 0.000 0.217 10 A C 1.154 178.734 177.584 -0.006 0.000 1.169 10 A CA 1.157 53.198 52.037 0.007 0.000 0.638 10 A CB 0.092 19.096 19.000 0.008 0.000 0.812 10 A HN 0.763 nan 8.150 nan 0.000 0.446 11 R N -1.586 118.908 120.500 -0.009 0.000 2.664 11 R HA 0.453 4.793 4.340 -0.001 0.000 0.266 11 R C -1.985 174.307 176.300 -0.014 0.000 1.046 11 R CA -0.183 55.907 56.100 -0.016 0.000 0.885 11 R CB 1.643 31.935 30.300 -0.013 0.000 1.254 11 R HN 0.311 nan 8.270 nan 0.000 0.465 12 V N -0.221 119.684 119.914 -0.016 0.000 2.680 12 V HA 0.769 4.889 4.120 -0.001 0.000 0.309 12 V C -0.912 175.174 176.094 -0.012 0.000 1.052 12 V CA -0.502 61.794 62.300 -0.007 0.000 0.908 12 V CB 1.884 33.714 31.823 0.012 0.000 1.001 12 V HN 0.844 nan 8.190 nan 0.000 0.431 13 D N 1.130 121.519 120.400 -0.019 0.000 2.745 13 D HA 0.596 5.235 4.640 -0.001 0.000 0.221 13 D C -0.313 175.962 176.300 -0.041 0.000 1.237 13 D CA 0.749 54.733 54.000 -0.027 0.000 0.781 13 D CB 2.214 42.998 40.800 -0.027 0.000 1.575 13 D HN 1.428 nan 8.370 nan 0.000 0.482 14 G N 0.976 109.746 108.800 -0.051 0.000 2.320 14 G HA2 0.237 4.197 3.960 -0.001 0.000 0.274 14 G HA3 0.237 4.197 3.960 -0.001 0.000 0.274 14 G C -1.467 173.384 174.900 -0.082 0.000 1.324 14 G CA -0.442 44.617 45.100 -0.068 0.000 0.957 14 G HN 0.462 nan 8.290 nan 0.000 0.481 15 T N 0.389 114.885 114.554 -0.097 0.000 2.886 15 T HA 0.686 5.036 4.350 -0.001 0.000 0.292 15 T C -0.443 174.178 174.700 -0.132 0.000 1.012 15 T CA -0.222 61.816 62.100 -0.102 0.000 0.982 15 T CB 1.489 70.302 68.868 -0.092 0.000 1.018 15 T HN 0.569 nan 8.240 nan 0.000 0.451 16 I N 3.296 123.778 120.570 -0.146 0.000 2.436 16 I HA 0.340 4.509 4.170 -0.001 0.000 0.289 16 I C -0.441 175.621 176.117 -0.091 0.000 1.010 16 I CA -0.976 60.208 61.300 -0.193 0.000 1.098 16 I CB 1.635 39.379 38.000 -0.427 0.000 1.266 16 I HN 0.467 nan 8.210 nan 0.000 0.434 17 N N 7.876 126.536 118.700 -0.067 0.000 2.437 17 N HA 0.357 5.096 4.740 -0.001 0.000 0.243 17 N C -0.470 175.026 175.510 -0.022 0.000 1.041 17 N CA -0.356 52.676 53.050 -0.029 0.000 0.940 17 N CB 1.250 39.722 38.487 -0.025 0.000 1.133 17 N HN 0.428 nan 8.380 nan 0.000 0.506 18 L N 3.512 124.729 121.223 -0.009 0.000 2.483 18 L HA 0.178 4.518 4.340 -0.001 0.000 0.276 18 L C -1.420 175.397 176.870 -0.089 0.000 1.213 18 L CA -1.164 53.659 54.840 -0.029 0.000 0.843 18 L CB -0.110 41.949 42.059 -0.000 0.000 1.107 18 L HN 0.255 nan 8.230 nan 0.000 0.487 19 P HA 0.114 nan 4.420 nan 0.000 0.274 19 P C -0.187 177.024 177.300 -0.149 0.000 1.246 19 P CA -0.429 62.545 63.100 -0.210 0.000 0.795 19 P CB 0.547 31.988 31.700 -0.432 0.000 1.006 20 G N 0.307 109.052 108.800 -0.093 0.000 2.594 20 G HA2 0.178 4.138 3.960 -0.001 0.000 0.243 20 G HA3 0.178 4.138 3.960 -0.001 0.000 0.243 20 G C 0.030 174.900 174.900 -0.049 0.000 1.229 20 G CA -0.273 44.795 45.100 -0.053 0.000 0.843 20 G HN 0.533 nan 8.290 nan 0.000 0.578 21 S N 0.100 115.792 115.700 -0.013 0.000 2.516 21 S HA 0.051 4.521 4.470 -0.001 0.000 0.282 21 S C 1.608 176.219 174.600 0.018 0.000 1.286 21 S CA -0.344 57.861 58.200 0.009 0.000 1.066 21 S CB 0.833 64.055 63.200 0.037 0.000 0.884 21 S HN 0.674 nan 8.310 nan 0.000 0.491 22 K N 3.766 124.178 120.400 0.019 0.000 2.057 22 K HA -0.075 4.244 4.320 -0.001 0.000 0.207 22 K C 1.888 178.506 176.600 0.029 0.000 1.049 22 K CA 1.788 58.083 56.287 0.015 0.000 0.931 22 K CB -0.645 31.864 32.500 0.016 0.000 0.714 22 K HN 0.671 nan 8.250 nan 0.000 0.440 23 S N 0.709 116.449 115.700 0.067 0.000 2.356 23 S HA -0.107 4.362 4.470 -0.001 0.000 0.223 23 S C 2.050 176.692 174.600 0.071 0.000 1.032 23 S CA 1.405 59.660 58.200 0.092 0.000 1.005 23 S CB -0.186 63.139 63.200 0.208 0.000 0.867 23 S HN 0.137 nan 8.310 nan 0.000 0.449 24 V N 1.425 121.388 119.914 0.081 0.000 2.358 24 V HA -0.115 4.004 4.120 -0.001 0.000 0.246 24 V C 2.424 178.559 176.094 0.069 0.000 1.047 24 V CA 1.652 64.010 62.300 0.096 0.000 1.035 24 V CB -0.873 31.035 31.823 0.141 0.000 0.658 24 V HN 0.401 nan 8.190 nan 0.000 0.452 25 S N 0.711 116.440 115.700 0.048 0.000 2.359 25 S HA -0.214 4.256 4.470 -0.001 0.000 0.224 25 S C 1.909 176.489 174.600 -0.032 0.000 1.035 25 S CA 1.813 60.023 58.200 0.017 0.000 1.018 25 S CB -0.446 62.753 63.200 -0.001 0.000 0.876 25 S HN 0.588 nan 8.310 nan 0.000 0.448 26 N N 0.785 119.461 118.700 -0.040 0.000 2.270 26 N HA 0.056 4.796 4.740 -0.001 0.000 0.181 26 N C 1.758 177.200 175.510 -0.113 0.000 1.016 26 N CA 0.688 53.694 53.050 -0.073 0.000 0.870 26 N CB -0.174 38.278 38.487 -0.057 0.000 0.979 26 N HN 0.342 nan 8.380 nan 0.000 0.431 27 R N 0.381 120.820 120.500 -0.103 0.000 2.075 27 R HA 0.086 4.425 4.340 -0.001 0.000 0.232 27 R C 2.131 178.258 176.300 -0.288 0.000 1.126 27 R CA 1.258 57.257 56.100 -0.169 0.000 0.963 27 R CB -0.277 29.957 30.300 -0.110 0.000 0.858 27 R HN 0.143 nan 8.270 nan 0.000 0.435 28 A N 1.090 123.784 122.820 -0.210 0.000 1.933 28 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 28 A C 2.143 179.541 177.584 -0.309 0.000 1.175 28 A CA 1.134 53.009 52.037 -0.270 0.000 0.628 28 A CB -0.498 18.476 19.000 -0.043 0.000 0.814 28 A HN 0.176 nan 8.150 nan 0.000 0.444 29 L N -1.170 119.929 121.223 -0.207 0.000 2.056 29 L HA -0.159 4.181 4.340 -0.001 0.000 0.207 29 L C 2.559 179.279 176.870 -0.250 0.000 1.078 29 L CA 1.193 55.913 54.840 -0.200 0.000 0.749 29 L CB -0.459 41.497 42.059 -0.172 0.000 0.901 29 L HN 0.484 nan 8.230 nan 0.000 0.433 30 L N -0.228 120.830 121.223 -0.274 0.000 2.056 30 L HA -0.178 4.162 4.340 -0.001 0.000 0.207 30 L C 2.272 178.897 176.870 -0.409 0.000 1.078 30 L CA 1.706 56.380 54.840 -0.276 0.000 0.749 30 L CB -0.414 41.500 42.059 -0.242 0.000 0.901 30 L HN 0.094 nan 8.230 nan 0.000 0.433 31 L N -0.550 120.272 121.223 -0.668 0.000 2.093 31 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 31 L C 2.677 179.039 176.870 -0.845 0.000 1.085 31 L CA 1.105 55.314 54.840 -1.052 0.000 0.755 31 L CB -0.980 40.036 42.059 -1.738 0.000 0.904 31 L HN 0.374 nan 8.230 nan 0.000 0.435 32 A N 0.110 122.531 122.820 -0.666 0.000 1.933 32 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 32 A C 2.525 180.065 177.584 -0.074 0.000 1.175 32 A CA 1.684 53.644 52.037 -0.129 0.000 0.628 32 A CB -0.606 18.404 19.000 0.018 0.000 0.814 32 A HN 0.401 nan 8.150 nan 0.000 0.444 33 A N -0.464 122.275 122.820 -0.135 0.000 1.930 33 A HA 0.045 4.364 4.320 -0.001 0.000 0.217 33 A C 2.095 179.638 177.584 -0.069 0.000 1.175 33 A CA 1.390 53.383 52.037 -0.073 0.000 0.627 33 A CB -0.460 18.492 19.000 -0.080 0.000 0.815 33 A HN 0.466 nan 8.150 nan 0.000 0.443 34 L N -0.794 120.368 121.223 -0.101 0.000 2.240 34 L HA 0.108 4.448 4.340 -0.001 0.000 0.211 34 L C 1.745 178.638 176.870 0.039 0.000 1.106 34 L CA 0.164 54.987 54.840 -0.029 0.000 0.793 34 L CB -0.532 41.533 42.059 0.010 0.000 0.927 34 L HN 0.393 nan 8.230 nan 0.000 0.446 35 A N -0.755 122.107 122.820 0.070 0.000 2.366 35 A HA 0.188 4.507 4.320 -0.001 0.000 0.250 35 A C -0.656 176.978 177.584 0.082 0.000 1.099 35 A CA -0.119 52.042 52.037 0.207 0.000 0.794 35 A CB -0.107 19.086 19.000 0.323 0.000 1.056 35 A HN 0.257 nan 8.150 nan 0.000 0.499 36 H N -0.790 118.364 119.070 0.139 0.000 2.473 36 H HA 0.556 5.112 4.556 -0.001 0.000 0.327 36 H C 0.819 176.202 175.328 0.092 0.000 1.105 36 H CA 0.965 57.072 56.048 0.097 0.000 1.280 36 H CB 1.110 30.920 29.762 0.079 0.000 1.450 36 H HN 1.379 nan 8.280 nan 0.000 0.492 37 G N 1.604 110.503 108.800 0.166 0.000 2.603 37 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.686 37 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.686 37 G C -0.985 173.975 174.900 0.099 0.000 1.286 37 G CA -0.859 44.313 45.100 0.121 0.000 0.871 37 G HN 0.710 nan 8.290 nan 0.000 0.568 38 K N 0.072 120.521 120.400 0.082 0.000 2.211 38 K HA 0.653 4.973 4.320 -0.001 0.000 0.275 38 K C -0.283 176.366 176.600 0.080 0.000 1.024 38 K CA -0.319 56.015 56.287 0.078 0.000 0.887 38 K CB 0.835 33.374 32.500 0.064 0.000 1.084 38 K HN 0.543 nan 8.250 nan 0.000 0.463 39 T N 2.909 117.521 114.554 0.097 0.000 2.824 39 T HA 0.301 4.651 4.350 -0.001 0.000 0.280 39 T C -0.904 173.853 174.700 0.095 0.000 0.995 39 T CA -0.619 61.542 62.100 0.101 0.000 1.009 39 T CB 1.438 70.406 68.868 0.168 0.000 0.955 39 T HN 0.288 nan 8.240 nan 0.000 0.452 40 V N 5.179 125.146 119.914 0.088 0.000 2.334 40 V HA 0.395 4.515 4.120 -0.001 0.000 0.281 40 V C -0.224 175.936 176.094 0.111 0.000 1.016 40 V CA -0.720 61.630 62.300 0.084 0.000 0.832 40 V CB 0.897 32.758 31.823 0.063 0.000 0.999 40 V HN 0.711 nan 8.190 nan 0.000 0.439 41 L N 5.488 126.778 121.223 0.111 0.000 2.289 41 L HA 0.668 5.008 4.340 -0.001 0.000 0.285 41 L C 0.526 177.447 176.870 0.085 0.000 1.049 41 L CA -0.170 54.755 54.840 0.143 0.000 0.804 41 L CB 1.858 43.998 42.059 0.135 0.000 1.195 41 L HN 0.746 nan 8.230 nan 0.000 0.428 42 T N -1.207 113.387 114.554 0.067 0.000 2.908 42 T HA 0.299 4.649 4.350 -0.001 0.000 0.290 42 T C 0.403 175.109 174.700 0.010 0.000 1.034 42 T CA -0.738 61.378 62.100 0.026 0.000 1.010 42 T CB 1.745 70.616 68.868 0.006 0.000 1.068 42 T HN 0.777 nan 8.240 nan 0.000 0.481 43 N N -0.371 118.330 118.700 0.002 0.000 2.741 43 N HA -0.161 4.579 4.740 -0.001 0.000 0.250 43 N C -0.391 175.120 175.510 0.000 0.000 1.115 43 N CA -0.004 53.042 53.050 -0.007 0.000 0.724 43 N CB -0.830 37.643 38.487 -0.023 0.000 1.090 43 N HN 0.708 nan 8.380 nan 0.000 0.558 44 L N 1.602 122.832 121.223 0.012 0.000 2.485 44 L HA 0.238 4.577 4.340 -0.001 0.000 0.275 44 L C 0.299 177.163 176.870 -0.010 0.000 1.207 44 L CA 0.117 54.962 54.840 0.009 0.000 0.855 44 L CB 0.508 42.569 42.059 0.003 0.000 1.114 44 L HN 0.218 nan 8.230 nan 0.000 0.485 45 L N 4.189 125.402 121.223 -0.017 0.000 2.380 45 L HA 0.290 4.630 4.340 -0.001 0.000 0.273 45 L C -0.634 176.220 176.870 -0.026 0.000 1.138 45 L CA 0.207 55.029 54.840 -0.030 0.000 0.832 45 L CB 0.691 42.728 42.059 -0.036 0.000 1.124 45 L HN 0.717 nan 8.230 nan 0.000 0.454 46 D N 3.315 123.705 120.400 -0.016 0.000 2.427 46 D HA 0.547 5.186 4.640 -0.001 0.000 0.226 46 D C -0.953 175.345 176.300 -0.003 0.000 1.076 46 D CA 0.155 54.149 54.000 -0.010 0.000 0.849 46 D CB 0.692 41.496 40.800 0.007 0.000 1.052 46 D HN 0.716 nan 8.370 nan 0.000 0.515 47 S N 2.141 117.826 115.700 -0.025 0.000 2.643 47 S HA 0.307 4.777 4.470 -0.001 0.000 0.270 47 S C 0.369 174.921 174.600 -0.080 0.000 1.166 47 S CA -0.802 57.383 58.200 -0.024 0.000 0.815 47 S CB 1.173 64.366 63.200 -0.012 0.000 1.139 47 S HN 0.099 nan 8.310 nan 0.000 0.472 48 D N 1.128 121.472 120.400 -0.094 0.000 2.104 48 D HA -0.088 4.551 4.640 -0.001 0.000 0.194 48 D C 1.041 177.204 176.300 -0.228 0.000 0.994 48 D CA 1.708 55.592 54.000 -0.194 0.000 0.830 48 D CB -0.450 40.295 40.800 -0.092 0.000 0.959 48 D HN 0.613 nan 8.370 nan 0.000 0.452 49 D N -0.090 120.259 120.400 -0.086 0.000 2.178 49 D HA -0.085 4.554 4.640 -0.001 0.000 0.201 49 D C 2.217 178.497 176.300 -0.034 0.000 0.980 49 D CA 0.334 54.325 54.000 -0.015 0.000 0.842 49 D CB -0.069 40.708 40.800 -0.039 0.000 0.948 49 D HN 0.101 nan 8.370 nan 0.000 0.472 50 V N 0.442 120.316 119.914 -0.068 0.000 2.488 50 V HA -0.116 4.004 4.120 -0.001 0.000 0.246 50 V C 2.470 178.515 176.094 -0.082 0.000 1.046 50 V CA 1.102 63.362 62.300 -0.066 0.000 1.053 50 V CB -0.363 31.423 31.823 -0.062 0.000 0.679 50 V HN 0.097 nan 8.190 nan 0.000 0.458 51 R N -0.620 119.804 120.500 -0.126 0.000 2.105 51 R HA -0.200 4.140 4.340 -0.001 0.000 0.239 51 R C 2.384 178.625 176.300 -0.099 0.000 1.135 51 R CA 1.704 57.725 56.100 -0.132 0.000 0.967 51 R CB -0.285 29.901 30.300 -0.189 0.000 0.861 51 R HN 0.564 nan 8.270 nan 0.000 0.442 52 H N -0.081 119.002 119.070 0.022 0.000 2.389 52 H HA -0.128 4.428 4.556 -0.001 0.000 0.299 52 H C 1.922 177.255 175.328 0.009 0.000 1.081 52 H CA 1.781 57.850 56.048 0.035 0.000 1.345 52 H CB -0.248 29.522 29.762 0.014 0.000 1.393 52 H HN 0.240 nan 8.280 nan 0.000 0.520 53 M N 0.648 120.294 119.600 0.078 0.000 2.132 53 M HA -0.069 4.410 4.480 -0.001 0.000 0.263 53 M C 2.069 178.365 176.300 -0.005 0.000 1.065 53 M CA 1.278 56.586 55.300 0.012 0.000 1.122 53 M CB -0.616 31.960 32.600 -0.040 0.000 1.365 53 M HN 0.116 nan 8.290 nan 0.000 0.411 54 L N -0.160 121.043 121.223 -0.035 0.000 2.046 54 L HA -0.245 4.095 4.340 -0.001 0.000 0.208 54 L C 2.045 178.996 176.870 0.135 0.000 1.077 54 L CA 1.783 56.590 54.840 -0.055 0.000 0.747 54 L CB -0.942 41.056 42.059 -0.102 0.000 0.896 54 L HN 0.472 nan 8.230 nan 0.000 0.432 55 N N -0.406 118.372 118.700 0.130 0.000 2.166 55 N HA -0.155 4.585 4.740 -0.001 0.000 0.186 55 N C 1.919 177.509 175.510 0.135 0.000 1.019 55 N CA 0.909 54.052 53.050 0.154 0.000 0.856 55 N CB -0.127 38.461 38.487 0.167 0.000 0.993 55 N HN 0.324 nan 8.380 nan 0.000 0.426 56 A N 1.343 124.229 122.820 0.111 0.000 1.898 56 A HA -0.069 4.251 4.320 -0.001 0.000 0.216 56 A C 2.137 179.765 177.584 0.072 0.000 1.181 56 A CA 0.929 53.012 52.037 0.077 0.000 0.620 56 A CB -0.640 18.387 19.000 0.045 0.000 0.819 56 A HN 0.152 nan 8.150 nan 0.000 0.442 57 L N -0.822 120.453 121.223 0.086 0.000 2.046 57 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 57 L C 2.794 179.758 176.870 0.157 0.000 1.077 57 L CA 1.765 56.670 54.840 0.108 0.000 0.747 57 L CB -1.111 41.015 42.059 0.110 0.000 0.896 57 L HN 0.328 nan 8.230 nan 0.000 0.432 58 T N 0.128 114.812 114.554 0.217 0.000 2.684 58 T HA -0.214 4.135 4.350 -0.001 0.000 0.267 58 T C 1.992 176.728 174.700 0.059 0.000 1.036 58 T CA 1.517 63.684 62.100 0.112 0.000 1.148 58 T CB -0.262 68.660 68.868 0.089 0.000 0.863 58 T HN 0.464 nan 8.240 nan 0.000 0.436 59 A N 0.879 123.740 122.820 0.069 0.000 1.972 59 A HA 0.065 4.384 4.320 -0.001 0.000 0.219 59 A C 2.098 179.706 177.584 0.040 0.000 1.169 59 A CA 1.077 53.144 52.037 0.049 0.000 0.635 59 A CB -0.690 18.344 19.000 0.057 0.000 0.810 59 A HN 0.516 nan 8.150 nan 0.000 0.446 60 L N -1.410 119.838 121.223 0.043 0.000 2.599 60 L HA 0.185 4.525 4.340 -0.001 0.000 0.230 60 L C 1.652 178.542 176.870 0.033 0.000 1.141 60 L CA 0.561 55.420 54.840 0.033 0.000 0.877 60 L CB -0.083 41.986 42.059 0.018 0.000 1.009 60 L HN 0.586 nan 8.230 nan 0.000 0.447 61 G N -0.405 108.414 108.800 0.032 0.000 2.176 61 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.232 61 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.232 61 G C 0.227 175.141 174.900 0.023 0.000 0.986 61 G CA -0.070 45.043 45.100 0.022 0.000 0.643 61 G HN 0.068 nan 8.290 nan 0.000 0.522 62 V N 1.470 121.412 119.914 0.047 0.000 2.614 62 V HA 0.518 4.637 4.120 -0.001 0.000 0.291 62 V C 0.874 177.000 176.094 0.054 0.000 1.049 62 V CA 0.318 62.662 62.300 0.072 0.000 1.038 62 V CB 1.606 33.502 31.823 0.121 0.000 0.980 62 V HN 0.343 nan 8.190 nan 0.000 0.481 63 S N 4.441 120.163 115.700 0.037 0.000 2.480 63 S HA 0.779 5.249 4.470 -0.001 0.000 0.286 63 S C -0.822 173.810 174.600 0.053 0.000 1.180 63 S CA -0.441 57.735 58.200 -0.040 0.000 1.075 63 S CB 0.767 63.951 63.200 -0.027 0.000 0.996 63 S HN 0.729 nan 8.310 nan 0.000 0.487 64 Y N -0.870 119.437 120.300 0.011 0.000 2.689 64 Y HA 0.759 5.308 4.550 -0.001 0.000 0.333 64 Y C -0.644 175.264 175.900 0.014 0.000 1.208 64 Y CA -1.316 56.793 58.100 0.014 0.000 1.055 64 Y CB 0.567 39.035 38.460 0.013 0.000 1.304 64 Y HN 0.554 nan 8.280 nan 0.000 0.455 65 T N 0.218 114.935 114.554 0.272 0.000 2.906 65 T HA 0.832 5.181 4.350 -0.001 0.000 0.295 65 T C -1.362 173.481 174.700 0.239 0.000 1.061 65 T CA -0.807 61.399 62.100 0.177 0.000 1.000 65 T CB 1.847 70.764 68.868 0.082 0.000 1.103 65 T HN 0.842 nan 8.240 nan 0.000 0.486 66 L N 2.182 123.512 121.223 0.178 0.000 2.381 66 L HA 0.620 4.960 4.340 -0.001 0.000 0.268 66 L C 0.780 177.697 176.870 0.078 0.000 0.997 66 L CA -1.086 53.831 54.840 0.129 0.000 0.818 66 L CB 2.525 44.668 42.059 0.140 0.000 1.310 66 L HN 1.047 nan 8.230 nan 0.000 0.416 67 S N 1.086 116.821 115.700 0.058 0.000 2.617 67 S HA 0.299 4.769 4.470 -0.001 0.000 0.259 67 S C 1.238 175.861 174.600 0.038 0.000 1.301 67 S CA 0.008 58.233 58.200 0.042 0.000 0.984 67 S CB 1.262 64.482 63.200 0.034 0.000 0.954 67 S HN 0.727 nan 8.310 nan 0.000 0.572 68 A N 1.023 123.861 122.820 0.030 0.000 1.940 68 A HA -0.146 4.174 4.320 -0.001 0.000 0.219 68 A C 1.657 179.257 177.584 0.027 0.000 1.176 68 A CA 1.891 53.944 52.037 0.027 0.000 0.631 68 A CB -1.163 17.850 19.000 0.021 0.000 0.814 68 A HN 0.978 nan 8.150 nan 0.000 0.446 69 D N -2.225 118.190 120.400 0.025 0.000 2.328 69 D HA 0.056 4.696 4.640 -0.001 0.000 0.221 69 D C 0.670 176.984 176.300 0.024 0.000 1.072 69 D CA -0.032 53.982 54.000 0.024 0.000 0.850 69 D CB -0.507 40.305 40.800 0.021 0.000 0.922 69 D HN 0.453 nan 8.370 nan 0.000 0.516 70 R N -1.201 119.315 120.500 0.027 0.000 3.875 70 R HA -0.172 4.168 4.340 -0.001 0.000 0.321 70 R C 0.705 177.013 176.300 0.014 0.000 1.196 70 R CA 1.334 57.449 56.100 0.026 0.000 0.868 70 R CB -3.023 27.291 30.300 0.023 0.000 1.333 70 R HN 0.517 nan 8.270 nan 0.000 0.522 71 T N -3.306 111.257 114.554 0.015 0.000 3.040 71 T HA 0.132 4.482 4.350 -0.001 0.000 0.250 71 T C 0.653 175.362 174.700 0.015 0.000 1.058 71 T CA -0.187 61.919 62.100 0.009 0.000 0.988 71 T CB 0.397 69.268 68.868 0.006 0.000 0.993 71 T HN 0.287 nan 8.240 nan 0.000 0.519 72 R N 0.111 120.625 120.500 0.023 0.000 2.437 72 R HA 0.641 4.980 4.340 -0.001 0.000 0.310 72 R C -1.767 174.557 176.300 0.039 0.000 0.955 72 R CA -0.691 55.428 56.100 0.031 0.000 0.851 72 R CB 1.353 31.672 30.300 0.032 0.000 1.161 72 R HN 0.313 nan 8.270 nan 0.000 0.446 73 C N 4.012 123.336 119.300 0.040 0.000 2.431 73 C HA 0.404 4.863 4.460 -0.001 0.000 0.321 73 C C -0.626 174.404 174.990 0.067 0.000 1.202 73 C CA -0.511 58.533 59.018 0.043 0.000 1.398 73 C CB 1.286 29.008 27.740 -0.031 0.000 2.047 73 C HN 0.984 nan 8.230 nan 0.000 0.465 74 E N 4.892 125.153 120.200 0.102 0.000 2.073 74 E HA 0.584 4.934 4.350 -0.001 0.000 0.269 74 E C -1.070 175.613 176.600 0.137 0.000 0.917 74 E CA -0.380 56.081 56.400 0.101 0.000 0.757 74 E CB 0.565 30.317 29.700 0.087 0.000 1.111 74 E HN 0.670 nan 8.360 nan 0.000 0.410 75 I N 5.149 125.790 120.570 0.118 0.000 2.359 75 I HA 0.214 4.384 4.170 -0.001 0.000 0.294 75 I C -0.265 175.918 176.117 0.110 0.000 0.987 75 I CA -0.621 60.761 61.300 0.136 0.000 1.225 75 I CB 1.279 39.328 38.000 0.082 0.000 1.366 75 I HN 0.498 nan 8.210 nan 0.000 0.466 76 I N 5.629 126.264 120.570 0.109 0.000 2.291 76 I HA 0.236 4.405 4.170 -0.001 0.000 0.292 76 I C 1.064 177.216 176.117 0.059 0.000 1.064 76 I CA -0.088 61.256 61.300 0.074 0.000 1.269 76 I CB 0.187 38.221 38.000 0.057 0.000 1.418 76 I HN 0.670 nan 8.210 nan 0.000 0.485 77 G N 4.420 113.252 108.800 0.053 0.000 2.414 77 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.236 77 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.236 77 G C 0.806 175.691 174.900 -0.025 0.000 1.293 77 G CA -0.172 44.941 45.100 0.022 0.000 0.869 77 G HN 0.722 nan 8.290 nan 0.000 0.556 78 N N 0.733 119.403 118.700 -0.050 0.000 2.457 78 N HA 0.050 4.789 4.740 -0.001 0.000 0.180 78 N C 1.857 177.267 175.510 -0.166 0.000 1.050 78 N CA 1.411 54.421 53.050 -0.066 0.000 0.906 78 N CB -0.077 38.385 38.487 -0.041 0.000 0.968 78 N HN 1.057 nan 8.380 nan 0.000 0.445 79 G N -1.242 107.354 108.800 -0.340 0.000 2.246 79 G HA2 0.031 3.991 3.960 -0.001 0.000 0.273 79 G HA3 0.031 3.991 3.960 -0.001 0.000 0.273 79 G C 0.333 174.948 174.900 -0.474 0.000 1.055 79 G CA 0.616 45.155 45.100 -0.935 0.000 0.851 79 G HN 0.863 nan 8.290 nan 0.000 0.500 80 G N -1.849 106.845 108.800 -0.177 0.000 2.368 80 G HA2 0.511 4.471 3.960 -0.001 0.000 0.302 80 G HA3 0.511 4.471 3.960 -0.001 0.000 0.302 80 G C -3.069 171.827 174.900 -0.006 0.000 1.329 80 G CA -0.126 44.968 45.100 -0.010 0.000 0.935 80 G HN 0.432 nan 8.290 nan 0.000 0.590 81 P HA 0.273 nan 4.420 nan 0.000 0.264 81 P C 0.211 177.355 177.300 -0.260 0.000 1.179 81 P CA 0.039 63.070 63.100 -0.115 0.000 0.763 81 P CB 0.355 32.003 31.700 -0.087 0.000 0.806 82 L N 3.967 124.999 121.223 -0.318 0.000 2.418 82 L HA 0.367 4.707 4.340 -0.001 0.000 0.265 82 L C 0.741 177.302 176.870 -0.515 0.000 1.143 82 L CA -0.208 54.471 54.840 -0.268 0.000 0.809 82 L CB 0.315 42.288 42.059 -0.145 0.000 1.124 82 L HN 0.473 nan 8.230 nan 0.000 0.456 83 H N 1.070 120.143 119.070 0.005 0.000 2.930 83 H HA 0.796 5.352 4.556 -0.001 0.000 0.371 83 H C -1.012 174.320 175.328 0.007 0.000 1.169 83 H CA -0.697 55.355 56.048 0.007 0.000 1.157 83 H CB 2.271 32.037 29.762 0.008 0.000 1.789 83 H HN 0.720 nan 8.280 nan 0.000 0.547 84 A N 1.906 124.815 122.820 0.149 0.000 2.608 84 A HA 0.601 4.920 4.320 -0.001 0.000 0.292 84 A C -1.128 176.499 177.584 0.072 0.000 1.066 84 A CA -0.719 51.368 52.037 0.084 0.000 0.676 84 A CB 2.083 21.114 19.000 0.053 0.000 1.277 84 A HN 0.603 nan 8.150 nan 0.000 0.413 85 E N -0.788 119.440 120.200 0.047 0.000 2.447 85 E HA 0.717 5.067 4.350 -0.001 0.000 0.258 85 E C 0.566 177.181 176.600 0.026 0.000 0.916 85 E CA -0.032 56.389 56.400 0.035 0.000 0.846 85 E CB 0.806 30.521 29.700 0.024 0.000 1.517 85 E HN 2.134 nan 8.360 nan 0.000 0.418 86 G N 0.065 108.878 108.800 0.020 0.000 2.160 86 G HA2 -0.028 3.932 3.960 -0.001 0.000 0.251 86 G HA3 -0.028 3.932 3.960 -0.001 0.000 0.251 86 G C 0.651 175.562 174.900 0.019 0.000 1.008 86 G CA 0.551 45.662 45.100 0.017 0.000 0.724 86 G HN 1.557 nan 8.290 nan 0.000 0.514 87 A N -2.470 120.362 122.820 0.020 0.000 2.745 87 A HA -0.043 4.277 4.320 -0.001 0.000 0.296 87 A C 0.973 178.571 177.584 0.023 0.000 1.500 87 A CA 1.552 53.600 52.037 0.019 0.000 0.766 87 A CB -1.632 17.378 19.000 0.017 0.000 1.030 87 A HN 2.283 nan 8.150 nan 0.000 0.489 88 L N 0.361 121.600 121.223 0.025 0.000 2.601 88 L HA 0.277 4.616 4.340 -0.001 0.000 0.277 88 L C 0.643 177.533 176.870 0.032 0.000 1.219 88 L CA 1.250 56.107 54.840 0.029 0.000 0.915 88 L CB 0.337 42.414 42.059 0.031 0.000 1.160 88 L HN 0.476 nan 8.230 nan 0.000 0.494 89 E N 5.467 125.691 120.200 0.040 0.000 2.167 89 E HA 0.353 4.703 4.350 -0.001 0.000 0.284 89 E C -1.358 175.284 176.600 0.069 0.000 1.016 89 E CA -0.577 55.855 56.400 0.053 0.000 0.817 89 E CB 0.670 30.408 29.700 0.063 0.000 1.080 89 E HN 0.672 nan 8.360 nan 0.000 0.397 90 L N 5.696 126.955 121.223 0.060 0.000 2.280 90 L HA 0.383 4.723 4.340 -0.001 0.000 0.287 90 L C -0.447 176.469 176.870 0.077 0.000 1.023 90 L CA -0.884 53.998 54.840 0.070 0.000 0.819 90 L CB 0.808 42.884 42.059 0.030 0.000 1.212 90 L HN 0.561 nan 8.230 nan 0.000 0.420 91 F N 4.756 124.689 119.950 -0.029 0.000 2.411 91 F HA 0.369 4.896 4.527 -0.001 0.000 0.355 91 F C 0.326 176.026 175.800 -0.168 0.000 1.117 91 F CA -0.300 57.651 58.000 -0.081 0.000 1.139 91 F CB 0.710 39.672 39.000 -0.063 0.000 1.120 91 F HN 0.348 nan 8.300 nan 0.000 0.493 92 L N 6.846 127.622 121.223 -0.746 0.000 2.965 92 L HA 0.324 4.663 4.340 -0.001 0.000 0.254 92 L C 1.346 177.683 176.870 -0.889 0.000 1.220 92 L CA 0.113 54.590 54.840 -0.606 0.000 1.023 92 L CB -0.580 41.302 42.059 -0.294 0.000 1.355 92 L HN 1.022 nan 8.230 nan 0.000 0.545 93 G N 1.841 109.759 108.800 -1.469 0.000 2.660 93 G HA2 -0.439 3.521 3.960 -0.001 0.000 0.321 93 G HA3 -0.439 3.521 3.960 -0.001 0.000 0.321 93 G C 0.512 175.160 174.900 -0.419 0.000 1.246 93 G CA 0.809 45.414 45.100 -0.826 0.000 1.000 93 G HN 0.468 nan 8.290 nan 0.000 0.550 94 N N 1.223 119.824 118.700 -0.166 0.000 2.497 94 N HA 0.536 5.275 4.740 -0.001 0.000 0.284 94 N C 0.255 175.720 175.510 -0.075 0.000 1.459 94 N CA 0.845 53.831 53.050 -0.107 0.000 0.899 94 N CB 0.148 38.608 38.487 -0.045 0.000 1.316 94 N HN 1.024 nan 8.380 nan 0.000 0.500 95 A N -0.254 122.517 122.820 -0.081 0.000 2.527 95 A HA 0.529 4.849 4.320 -0.001 0.000 0.313 95 A C 1.509 179.056 177.584 -0.062 0.000 1.410 95 A CA -0.115 51.895 52.037 -0.046 0.000 1.060 95 A CB -0.361 18.646 19.000 0.012 0.000 1.137 95 A HN 0.341 nan 8.150 nan 0.000 0.542 96 G N 1.718 110.482 108.800 -0.060 0.000 2.422 96 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.218 96 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.218 96 G C 1.591 176.453 174.900 -0.062 0.000 1.146 96 G CA 1.701 46.766 45.100 -0.058 0.000 0.769 96 G HN 0.855 nan 8.290 nan 0.000 0.547 97 T N -0.902 113.610 114.554 -0.070 0.000 2.881 97 T HA 0.175 4.524 4.350 -0.001 0.000 0.270 97 T C 2.415 177.081 174.700 -0.057 0.000 1.068 97 T CA 1.776 63.836 62.100 -0.067 0.000 1.131 97 T CB -0.195 68.637 68.868 -0.060 0.000 0.871 97 T HN 0.340 nan 8.240 nan 0.000 0.479 98 A N 1.075 123.865 122.820 -0.050 0.000 1.887 98 A HA 0.356 4.676 4.320 -0.001 0.000 0.212 98 A C 2.295 179.847 177.584 -0.053 0.000 1.198 98 A CA 1.258 53.266 52.037 -0.049 0.000 0.628 98 A CB -0.656 18.326 19.000 -0.031 0.000 0.847 98 A HN 0.436 nan 8.150 nan 0.000 0.449 99 M N -0.107 119.460 119.600 -0.056 0.000 2.065 99 M HA -0.118 4.361 4.480 -0.001 0.000 0.259 99 M C 1.947 178.235 176.300 -0.019 0.000 1.069 99 M CA 1.811 57.082 55.300 -0.048 0.000 1.110 99 M CB -0.454 32.117 32.600 -0.049 0.000 1.328 99 M HN 0.262 nan 8.290 nan 0.000 0.405 100 R N 0.114 120.617 120.500 0.006 0.000 2.066 100 R HA -0.029 4.311 4.340 -0.001 0.000 0.232 100 R C 2.514 178.814 176.300 0.001 0.000 1.131 100 R CA 1.866 57.996 56.100 0.050 0.000 0.955 100 R CB -1.298 29.066 30.300 0.106 0.000 0.851 100 R HN 0.707 nan 8.270 nan 0.000 0.432 101 S N 0.385 116.065 115.700 -0.033 0.000 2.382 101 S HA -0.085 4.385 4.470 -0.001 0.000 0.228 101 S C 1.991 176.544 174.600 -0.078 0.000 1.027 101 S CA 1.037 59.199 58.200 -0.063 0.000 0.991 101 S CB -0.472 62.679 63.200 -0.081 0.000 0.823 101 S HN 0.213 nan 8.310 nan 0.000 0.469 102 L N 1.207 122.388 121.223 -0.070 0.000 2.156 102 L HA 0.078 4.418 4.340 -0.001 0.000 0.208 102 L C 3.149 179.975 176.870 -0.073 0.000 1.095 102 L CA 0.864 55.660 54.840 -0.074 0.000 0.770 102 L CB -0.781 41.241 42.059 -0.062 0.000 0.914 102 L HN 0.464 nan 8.230 nan 0.000 0.439 103 A N 0.202 122.984 122.820 -0.063 0.000 1.940 103 A HA -0.179 4.141 4.320 -0.001 0.000 0.219 103 A C 2.488 180.016 177.584 -0.093 0.000 1.176 103 A CA 1.885 53.881 52.037 -0.068 0.000 0.631 103 A CB -0.514 18.454 19.000 -0.054 0.000 0.814 103 A HN 0.407 nan 8.150 nan 0.000 0.446 104 A N -0.448 122.305 122.820 -0.110 0.000 1.878 104 A HA 0.344 4.664 4.320 -0.001 0.000 0.213 104 A C 2.508 179.978 177.584 -0.190 0.000 1.192 104 A CA 1.603 53.533 52.037 -0.179 0.000 0.619 104 A CB -1.055 17.826 19.000 -0.197 0.000 0.837 104 A HN 1.011 nan 8.150 nan 0.000 0.446 105 A N -0.012 122.721 122.820 -0.145 0.000 1.908 105 A HA -0.056 4.263 4.320 -0.001 0.000 0.218 105 A C 1.933 179.448 177.584 -0.115 0.000 1.181 105 A CA 1.480 53.440 52.037 -0.128 0.000 0.627 105 A CB -0.670 18.263 19.000 -0.112 0.000 0.818 105 A HN 0.464 nan 8.150 nan 0.000 0.445 106 L N -0.683 120.478 121.223 -0.102 0.000 2.610 106 L HA -0.087 4.253 4.340 -0.001 0.000 0.232 106 L C 1.496 178.336 176.870 -0.050 0.000 1.149 106 L CA -0.118 54.669 54.840 -0.089 0.000 0.872 106 L CB -0.431 41.586 42.059 -0.070 0.000 0.992 106 L HN 0.445 nan 8.230 nan 0.000 0.447 107 C N -0.206 119.066 119.300 -0.047 0.000 2.618 107 C HA 0.154 4.613 4.460 -0.001 0.000 0.264 107 C C 1.360 176.403 174.990 0.089 0.000 1.334 107 C CA -0.658 58.371 59.018 0.018 0.000 1.731 107 C CB -0.918 26.830 27.740 0.014 0.000 1.852 107 C HN 0.249 nan 8.230 nan 0.000 0.566 108 L N 1.456 122.709 121.223 0.050 0.000 2.360 108 L HA 0.462 4.802 4.340 -0.001 0.000 0.276 108 L C 1.252 178.219 176.870 0.162 0.000 1.121 108 L CA 1.059 55.965 54.840 0.110 0.000 0.845 108 L CB -0.196 41.896 42.059 0.054 0.000 1.143 108 L HN 0.561 nan 8.230 nan 0.000 0.452 109 G N 3.104 112.014 108.800 0.183 0.000 2.552 109 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.265 109 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.265 109 G C -0.175 174.828 174.900 0.171 0.000 1.234 109 G CA -0.107 45.114 45.100 0.202 0.000 0.944 109 G HN 0.882 nan 8.290 nan 0.000 0.568 110 S N 0.411 116.196 115.700 0.142 0.000 2.608 110 S HA 0.833 5.303 4.470 -0.001 0.000 0.291 110 S C -0.171 174.527 174.600 0.163 0.000 1.146 110 S CA -0.079 58.173 58.200 0.087 0.000 1.043 110 S CB 2.283 65.486 63.200 0.005 0.000 1.037 110 S HN 1.199 nan 8.310 nan 0.000 0.520 111 N N -0.101 118.667 118.700 0.113 0.000 3.348 111 N HA 0.392 5.132 4.740 -0.001 0.000 0.233 111 N C -2.544 173.002 175.510 0.059 0.000 1.440 111 N CA -0.355 52.767 53.050 0.120 0.000 0.887 111 N CB 2.007 40.567 38.487 0.121 0.000 1.410 111 N HN 0.800 nan 8.380 nan 0.000 0.502 112 D N 1.310 121.739 120.400 0.048 0.000 2.411 112 D HA 0.476 5.116 4.640 -0.001 0.000 0.239 112 D C -1.303 175.012 176.300 0.025 0.000 1.307 112 D CA 0.003 54.019 54.000 0.028 0.000 0.930 112 D CB 0.037 40.850 40.800 0.023 0.000 1.395 112 D HN 0.454 nan 8.370 nan 0.000 0.536 113 I N 1.559 122.139 120.570 0.017 0.000 2.647 113 I HA 0.447 4.617 4.170 -0.001 0.000 0.295 113 I C -0.426 175.693 176.117 0.003 0.000 1.078 113 I CA -1.168 60.139 61.300 0.013 0.000 1.048 113 I CB 2.659 40.664 38.000 0.008 0.000 1.239 113 I HN -0.059 nan 8.210 nan 0.000 0.421 114 V N 6.280 126.199 119.914 0.009 0.000 2.459 114 V HA 0.462 4.582 4.120 -0.001 0.000 0.295 114 V C -0.217 175.879 176.094 0.004 0.000 1.029 114 V CA -0.549 61.755 62.300 0.007 0.000 0.874 114 V CB 1.828 33.663 31.823 0.020 0.000 0.985 114 V HN 0.421 nan 8.190 nan 0.000 0.438 115 L N 4.540 125.757 121.223 -0.011 0.000 2.296 115 L HA 0.719 5.058 4.340 -0.001 0.000 0.286 115 L C 0.112 176.961 176.870 -0.035 0.000 1.023 115 L CA 0.085 54.908 54.840 -0.029 0.000 0.812 115 L CB 1.802 43.835 42.059 -0.043 0.000 1.223 115 L HN 0.723 nan 8.230 nan 0.000 0.421 116 T N 1.299 115.812 114.554 -0.068 0.000 2.654 116 T HA 0.905 5.254 4.350 -0.001 0.000 0.289 116 T C -0.456 174.053 174.700 -0.319 0.000 1.062 116 T CA 0.084 62.128 62.100 -0.094 0.000 1.041 116 T CB 2.191 71.067 68.868 0.012 0.000 1.417 116 T HN 0.825 nan 8.240 nan 0.000 0.510 117 G N -0.033 108.537 108.800 -0.382 0.000 2.494 117 G HA2 0.486 4.446 3.960 -0.001 0.000 0.308 117 G HA3 0.486 4.446 3.960 -0.001 0.000 0.308 117 G C -1.446 173.212 174.900 -0.403 0.000 1.263 117 G CA -0.686 43.904 45.100 -0.851 0.000 0.840 117 G HN 0.753 nan 8.290 nan 0.000 0.479 118 E N 0.676 120.690 120.200 -0.310 0.000 2.425 118 E HA 0.173 4.523 4.350 -0.001 0.000 0.258 118 E C -1.466 175.135 176.600 0.002 0.000 1.151 118 E CA -1.183 55.227 56.400 0.017 0.000 0.958 118 E CB 1.117 30.840 29.700 0.040 0.000 0.968 118 E HN 0.072 nan 8.360 nan 0.000 0.451 119 P HA -0.234 nan 4.420 nan 0.000 0.216 119 P C 1.204 178.498 177.300 -0.010 0.000 1.157 119 P CA 1.431 64.538 63.100 0.012 0.000 0.880 119 P CB 0.159 31.869 31.700 0.017 0.000 0.791 120 R N -0.577 119.920 120.500 -0.004 0.000 2.120 120 R HA -0.110 4.229 4.340 -0.001 0.000 0.234 120 R C 2.050 178.344 176.300 -0.011 0.000 1.123 120 R CA 1.531 57.627 56.100 -0.007 0.000 0.975 120 R CB -1.512 28.794 30.300 0.010 0.000 0.866 120 R HN 0.067 nan 8.270 nan 0.000 0.446 121 M N 0.601 120.185 119.600 -0.027 0.000 2.296 121 M HA -0.034 4.446 4.480 -0.001 0.000 0.265 121 M C 0.980 177.290 176.300 0.017 0.000 1.064 121 M CA 1.727 57.011 55.300 -0.026 0.000 1.109 121 M CB 0.028 32.568 32.600 -0.100 0.000 1.396 121 M HN 0.047 nan 8.290 nan 0.000 0.430 122 K N -0.152 120.248 120.400 0.001 0.000 2.525 122 K HA -0.013 4.307 4.320 -0.001 0.000 0.192 122 K C 0.598 177.177 176.600 -0.035 0.000 1.029 122 K CA 0.645 56.945 56.287 0.022 0.000 1.029 122 K CB 0.030 32.527 32.500 -0.005 0.000 0.814 122 K HN 0.531 nan 8.250 nan 0.000 0.503 123 E N 0.273 120.445 120.200 -0.046 0.000 2.583 123 E HA 0.091 4.441 4.350 -0.001 0.000 0.213 123 E C -0.366 176.284 176.600 0.085 0.000 0.989 123 E CA -0.135 56.160 56.400 -0.175 0.000 0.991 123 E CB 0.774 30.384 29.700 -0.150 0.000 1.040 123 E HN 0.061 nan 8.360 nan 0.000 0.481 124 R N 2.705 123.346 120.500 0.234 0.000 2.255 124 R HA 0.250 4.590 4.340 -0.001 0.000 0.326 124 R C -2.455 174.036 176.300 0.318 0.000 0.986 124 R CA -2.080 54.163 56.100 0.238 0.000 0.847 124 R CB 0.910 31.278 30.300 0.113 0.000 1.111 124 R HN -0.038 nan 8.270 nan 0.000 0.452 125 P HA -0.053 nan 4.420 nan 0.000 0.266 125 P C -0.163 177.123 177.300 -0.023 0.000 1.195 125 P CA 0.478 63.487 63.100 -0.151 0.000 0.768 125 P CB 1.039 32.667 31.700 -0.121 0.000 0.838 126 I N 0.874 121.285 120.570 -0.265 0.000 4.620 126 I HA 0.176 4.346 4.170 -0.001 0.000 0.347 126 I C 1.793 177.652 176.117 -0.430 0.000 1.302 126 I CA 0.103 61.239 61.300 -0.272 0.000 1.277 126 I CB 0.150 38.124 38.000 -0.043 0.000 1.566 126 I HN 0.402 nan 8.210 nan 0.000 0.547 127 G N 0.253 108.813 108.800 -0.401 0.000 2.442 127 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.219 127 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.219 127 G C 1.187 175.967 174.900 -0.200 0.000 1.141 127 G CA 1.394 46.364 45.100 -0.217 0.000 0.763 127 G HN 0.548 nan 8.290 nan 0.000 0.554 128 H N -0.903 117.873 119.070 -0.489 0.000 2.387 128 H HA -0.034 4.522 4.556 -0.000 0.000 0.299 128 H C 2.432 177.488 175.328 -0.452 0.000 1.090 128 H CA 0.804 56.603 56.048 -0.415 0.000 1.332 128 H CB 0.096 29.669 29.762 -0.314 0.000 1.386 128 H HN 0.320 nan 8.280 nan 0.000 0.516 129 L N 0.566 121.391 121.223 -0.664 0.000 2.044 129 L HA -0.104 4.236 4.340 -0.001 0.000 0.205 129 L C 2.204 178.970 176.870 -0.173 0.000 1.075 129 L CA 1.083 55.710 54.840 -0.356 0.000 0.747 129 L CB -0.488 41.355 42.059 -0.359 0.000 0.903 129 L HN 0.025 nan 8.230 nan 0.000 0.435 130 V N 0.226 120.036 119.914 -0.173 0.000 2.332 130 V HA -0.306 3.814 4.120 -0.001 0.000 0.248 130 V C 2.323 178.391 176.094 -0.044 0.000 1.055 130 V CA 1.991 64.227 62.300 -0.106 0.000 1.038 130 V CB -0.840 30.918 31.823 -0.109 0.000 0.651 130 V HN 0.458 nan 8.190 nan 0.000 0.450 131 D N 0.432 120.821 120.400 -0.018 0.000 2.104 131 D HA -0.168 4.472 4.640 -0.001 0.000 0.194 131 D C 2.221 178.536 176.300 0.025 0.000 0.994 131 D CA 1.807 55.816 54.000 0.015 0.000 0.830 131 D CB -0.408 40.407 40.800 0.026 0.000 0.959 131 D HN 0.459 nan 8.370 nan 0.000 0.452 132 A N 0.616 123.449 122.820 0.021 0.000 1.877 132 A HA -0.113 4.206 4.320 -0.001 0.000 0.216 132 A C 2.443 180.108 177.584 0.136 0.000 1.186 132 A CA 0.938 53.016 52.037 0.068 0.000 0.620 132 A CB -0.839 18.196 19.000 0.059 0.000 0.822 132 A HN 0.208 nan 8.150 nan 0.000 0.443 133 L N -1.096 120.189 121.223 0.102 0.000 2.079 133 L HA -0.217 4.123 4.340 -0.001 0.000 0.210 133 L C 2.871 179.875 176.870 0.222 0.000 1.081 133 L CA 1.588 56.548 54.840 0.200 0.000 0.752 133 L CB -0.466 41.617 42.059 0.039 0.000 0.896 133 L HN 0.354 nan 8.230 nan 0.000 0.433 134 R N -0.119 120.437 120.500 0.092 0.000 2.075 134 R HA -0.109 4.230 4.340 -0.001 0.000 0.232 134 R C 2.293 178.618 176.300 0.042 0.000 1.126 134 R CA 1.091 57.223 56.100 0.052 0.000 0.963 134 R CB -0.338 29.973 30.300 0.018 0.000 0.858 134 R HN 0.312 nan 8.270 nan 0.000 0.435 135 L N -0.536 120.717 121.223 0.051 0.000 2.191 135 L HA -0.095 4.245 4.340 -0.001 0.000 0.212 135 L C 2.194 179.050 176.870 -0.023 0.000 1.103 135 L CA 1.197 56.050 54.840 0.022 0.000 0.769 135 L CB -0.400 41.681 42.059 0.037 0.000 0.908 135 L HN 0.361 nan 8.230 nan 0.000 0.438 136 G N -1.667 107.124 108.800 -0.016 0.000 2.985 136 G HA2 0.275 4.235 3.960 -0.001 0.000 0.209 136 G HA3 0.275 4.235 3.960 -0.001 0.000 0.209 136 G C 1.174 175.834 174.900 -0.401 0.000 1.165 136 G CA 0.552 45.446 45.100 -0.344 0.000 0.776 136 G HN 0.507 nan 8.290 nan 0.000 0.541 137 G N -1.417 107.308 108.800 -0.125 0.000 2.211 137 G HA2 0.156 4.115 3.960 -0.001 0.000 0.201 137 G HA3 0.156 4.115 3.960 -0.001 0.000 0.201 137 G C 0.558 175.464 174.900 0.010 0.000 0.997 137 G CA 0.092 45.144 45.100 -0.080 0.000 0.652 137 G HN 1.213 nan 8.290 nan 0.000 0.500 138 A N 0.372 123.251 122.820 0.098 0.000 2.407 138 A HA 0.597 4.916 4.320 -0.001 0.000 0.248 138 A C 0.511 178.116 177.584 0.035 0.000 1.082 138 A CA 0.851 52.951 52.037 0.104 0.000 0.785 138 A CB 0.469 19.563 19.000 0.157 0.000 1.020 138 A HN 0.644 nan 8.150 nan 0.000 0.489 139 K N 2.376 122.786 120.400 0.017 0.000 2.263 139 K HA 0.606 4.926 4.320 -0.001 0.000 0.272 139 K C -1.465 175.111 176.600 -0.040 0.000 1.033 139 K CA -0.139 56.141 56.287 -0.011 0.000 0.884 139 K CB 0.309 32.806 32.500 -0.005 0.000 1.107 139 K HN 0.636 nan 8.250 nan 0.000 0.460 140 I N 3.050 123.569 120.570 -0.085 0.000 2.569 140 I HA 0.213 4.383 4.170 -0.001 0.000 0.290 140 I C -0.717 175.269 176.117 -0.218 0.000 1.088 140 I CA -0.823 60.381 61.300 -0.159 0.000 1.047 140 I CB 2.605 40.472 38.000 -0.222 0.000 1.237 140 I HN 0.527 nan 8.210 nan 0.000 0.421 141 T N 4.441 118.873 114.554 -0.203 0.000 2.807 141 T HA 0.459 4.809 4.350 -0.001 0.000 0.279 141 T C -0.853 173.740 174.700 -0.179 0.000 0.993 141 T CA -0.443 61.561 62.100 -0.160 0.000 0.970 141 T CB 0.669 69.507 68.868 -0.050 0.000 0.950 141 T HN 0.125 nan 8.240 nan 0.000 0.441 142 Y N 2.878 123.181 120.300 0.004 0.000 2.393 142 Y HA 0.250 4.800 4.550 -0.001 0.000 0.338 142 Y C 1.306 177.218 175.900 0.019 0.000 1.029 142 Y CA -0.763 57.344 58.100 0.012 0.000 1.239 142 Y CB 0.346 38.816 38.460 0.017 0.000 1.170 142 Y HN 0.572 nan 8.280 nan 0.000 0.515 143 L N 1.603 122.923 121.223 0.161 0.000 2.418 143 L HA 0.044 4.384 4.340 -0.001 0.000 0.218 143 L C 1.058 177.985 176.870 0.095 0.000 1.125 143 L CA 0.939 55.839 54.840 0.100 0.000 0.835 143 L CB 0.124 42.222 42.059 0.066 0.000 0.953 143 L HN 0.712 nan 8.230 nan 0.000 0.454 144 E N -1.047 119.223 120.200 0.117 0.000 4.072 144 E HA 0.106 4.455 4.350 -0.001 0.000 0.247 144 E C -0.197 176.446 176.600 0.071 0.000 1.033 144 E CA -0.611 55.834 56.400 0.076 0.000 1.019 144 E CB 0.345 30.079 29.700 0.057 0.000 2.662 144 E HN 0.019 nan 8.360 nan 0.000 0.514 145 Q N 1.924 121.758 119.800 0.057 0.000 2.304 145 Q HA 0.052 4.392 4.340 -0.001 0.000 0.260 145 Q C -0.731 175.259 176.000 -0.016 0.000 0.965 145 Q CA -0.093 55.731 55.803 0.036 0.000 0.898 145 Q CB 0.964 29.702 28.738 -0.000 0.000 1.196 145 Q HN 0.126 nan 8.270 nan 0.000 0.402 146 E N 3.589 123.697 120.200 -0.154 0.000 2.452 146 E HA -0.134 4.216 4.350 -0.001 0.000 0.261 146 E C -0.466 175.727 176.600 -0.679 0.000 0.987 146 E CA 0.830 56.883 56.400 -0.579 0.000 0.926 146 E CB 0.233 29.755 29.700 -0.297 0.000 0.934 146 E HN 0.787 nan 8.360 nan 0.000 0.452 147 N N 1.533 119.317 118.700 -1.526 0.000 2.979 147 N HA -0.214 4.525 4.740 -0.001 0.000 0.234 147 N C -1.386 173.570 175.510 -0.923 0.000 0.938 147 N CA 1.118 53.579 53.050 -0.981 0.000 0.961 147 N CB -1.585 36.462 38.487 -0.734 0.000 1.089 147 N HN 0.424 nan 8.380 nan 0.000 0.576 148 Y N -0.776 119.402 120.300 -0.203 0.000 2.581 148 Y HA 0.568 5.117 4.550 -0.000 0.000 0.345 148 Y C -2.252 173.725 175.900 0.128 0.000 1.036 148 Y CA -1.962 56.140 58.100 0.003 0.000 1.042 148 Y CB 1.384 39.819 38.460 -0.042 0.000 1.289 148 Y HN -0.259 nan 8.280 nan 0.000 0.471 149 P HA 0.123 nan 4.420 nan 0.000 0.272 149 P C -2.611 174.776 177.300 0.145 0.000 1.240 149 P CA -1.120 62.070 63.100 0.150 0.000 0.791 149 P CB 0.078 31.819 31.700 0.069 0.000 0.978 150 P HA 0.214 nan 4.420 nan 0.000 0.277 150 P C -1.011 176.338 177.300 0.081 0.000 1.240 150 P CA 0.251 63.392 63.100 0.069 0.000 0.798 150 P CB 0.754 32.483 31.700 0.048 0.000 0.979 151 L N 1.689 122.927 121.223 0.024 0.000 2.362 151 L HA 0.575 4.914 4.340 -0.001 0.000 0.271 151 L C 0.705 177.554 176.870 -0.036 0.000 1.002 151 L CA -0.910 53.911 54.840 -0.032 0.000 0.818 151 L CB 2.412 44.423 42.059 -0.079 0.000 1.298 151 L HN 0.342 nan 8.230 nan 0.000 0.420 152 R N 3.079 123.548 120.500 -0.052 0.000 2.265 152 R HA 0.597 4.936 4.340 -0.001 0.000 0.328 152 R C -1.463 174.805 176.300 -0.053 0.000 0.969 152 R CA -0.523 55.557 56.100 -0.034 0.000 0.832 152 R CB 0.815 31.104 30.300 -0.018 0.000 1.139 152 R HN 0.586 nan 8.270 nan 0.000 0.457 153 L N 5.091 126.292 121.223 -0.037 0.000 2.265 153 L HA 0.339 4.678 4.340 -0.001 0.000 0.289 153 L C 0.503 177.368 176.870 -0.008 0.000 1.033 153 L CA -0.264 54.555 54.840 -0.034 0.000 0.814 153 L CB 1.829 43.869 42.059 -0.033 0.000 1.203 153 L HN 0.676 nan 8.230 nan 0.000 0.423 154 Q N 2.491 122.288 119.800 -0.004 0.000 2.172 154 Q HA 0.312 4.652 4.340 -0.001 0.000 0.217 154 Q C 0.760 176.778 176.000 0.031 0.000 0.832 154 Q CA 0.032 55.843 55.803 0.013 0.000 1.010 154 Q CB 1.329 30.070 28.738 0.005 0.000 1.133 154 Q HN 0.958 nan 8.270 nan 0.000 0.489 155 G N -0.054 108.770 108.800 0.040 0.000 2.693 155 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.226 155 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.226 155 G C 0.484 175.428 174.900 0.074 0.000 1.354 155 G CA -0.293 44.848 45.100 0.069 0.000 0.873 155 G HN 0.717 nan 8.290 nan 0.000 0.562 156 G N -2.117 106.739 108.800 0.094 0.000 2.179 156 G HA2 0.109 4.069 3.960 -0.001 0.000 0.220 156 G HA3 0.109 4.069 3.960 -0.001 0.000 0.220 156 G C 0.456 175.409 174.900 0.088 0.000 0.990 156 G CA 0.510 45.654 45.100 0.072 0.000 0.646 156 G HN 2.014 nan 8.290 nan 0.000 0.517 157 F N 3.417 123.370 119.950 0.005 0.000 2.494 157 F HA 0.472 4.999 4.527 -0.000 0.000 0.369 157 F C 1.672 177.477 175.800 0.008 0.000 1.098 157 F CA 1.123 59.125 58.000 0.002 0.000 1.154 157 F CB 1.076 40.075 39.000 -0.001 0.000 1.103 157 F HN 0.123 nan 8.300 nan 0.000 0.549 158 T N 1.801 116.101 114.554 -0.423 0.000 2.990 158 T HA 0.592 4.941 4.350 -0.001 0.000 0.250 158 T C 0.909 175.378 174.700 -0.384 0.000 1.041 158 T CA 0.227 62.168 62.100 -0.265 0.000 1.010 158 T CB -0.099 68.670 68.868 -0.165 0.000 1.003 158 T HN 1.125 nan 8.240 nan 0.000 0.499 159 G N -0.049 108.233 108.800 -0.862 0.000 2.337 159 G HA2 0.432 4.392 3.960 -0.001 0.000 0.197 159 G HA3 0.432 4.392 3.960 -0.001 0.000 0.197 159 G C 0.141 174.827 174.900 -0.357 0.000 1.238 159 G CA -0.177 44.603 45.100 -0.532 0.000 1.119 159 G HN 1.781 nan 8.290 nan 0.000 0.514 160 G N -0.901 107.809 108.800 -0.150 0.000 2.500 160 G HA2 0.202 4.161 3.960 -0.001 0.000 0.209 160 G HA3 0.202 4.161 3.960 -0.001 0.000 0.209 160 G C -0.541 174.339 174.900 -0.034 0.000 1.283 160 G CA 0.316 45.361 45.100 -0.092 0.000 0.960 160 G HN 1.633 nan 8.290 nan 0.000 0.528 161 N N 0.278 118.966 118.700 -0.020 0.000 2.408 161 N HA 0.471 5.210 4.740 -0.001 0.000 0.257 161 N C -0.442 175.084 175.510 0.027 0.000 1.064 161 N CA -0.004 53.054 53.050 0.014 0.000 0.952 161 N CB 1.686 40.180 38.487 0.011 0.000 1.093 161 N HN 0.555 nan 8.380 nan 0.000 0.490 162 V N 2.571 122.524 119.914 0.065 0.000 2.487 162 V HA 0.242 4.361 4.120 -0.001 0.000 0.298 162 V C -0.275 175.872 176.094 0.088 0.000 1.028 162 V CA -0.894 61.459 62.300 0.090 0.000 0.860 162 V CB 2.080 34.000 31.823 0.162 0.000 0.991 162 V HN 0.470 nan 8.190 nan 0.000 0.427 163 D N 2.598 123.039 120.400 0.068 0.000 2.193 163 D HA 0.623 5.262 4.640 -0.001 0.000 0.249 163 D C -0.729 175.607 176.300 0.059 0.000 1.034 163 D CA -0.041 53.996 54.000 0.061 0.000 0.902 163 D CB 2.608 43.431 40.800 0.037 0.000 1.182 163 D HN 0.334 nan 8.370 nan 0.000 0.436 164 V N 1.560 121.512 119.914 0.064 0.000 2.808 164 V HA 0.172 4.291 4.120 -0.001 0.000 0.308 164 V C -1.359 174.757 176.094 0.037 0.000 1.099 164 V CA -0.820 61.514 62.300 0.056 0.000 0.920 164 V CB 2.376 34.256 31.823 0.095 0.000 1.014 164 V HN 0.428 nan 8.190 nan 0.000 0.425 165 D N 3.896 124.270 120.400 -0.043 0.000 2.312 165 D HA 0.390 5.029 4.640 -0.001 0.000 0.252 165 D C 0.723 177.071 176.300 0.081 0.000 1.150 165 D CA 0.675 54.598 54.000 -0.128 0.000 0.870 165 D CB 1.913 42.311 40.800 -0.670 0.000 1.153 165 D HN 0.781 nan 8.370 nan 0.000 0.457 166 G N 1.553 110.417 108.800 0.107 0.000 3.453 166 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.263 166 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.263 166 G C 1.175 176.167 174.900 0.152 0.000 1.060 166 G CA 0.223 45.420 45.100 0.163 0.000 0.793 166 G HN 0.462 nan 8.290 nan 0.000 0.532 167 S N -0.687 115.104 115.700 0.151 0.000 2.496 167 S HA 0.067 4.537 4.470 -0.001 0.000 0.224 167 S C 1.787 176.511 174.600 0.206 0.000 0.996 167 S CA 0.844 59.133 58.200 0.149 0.000 0.927 167 S CB 0.305 63.568 63.200 0.104 0.000 0.774 167 S HN 0.021 nan 8.310 nan 0.000 0.524 168 V N -0.091 119.999 119.914 0.293 0.000 2.908 168 V HA 0.386 4.505 4.120 -0.001 0.000 0.240 168 V C 0.827 176.968 176.094 0.078 0.000 1.117 168 V CA 0.777 63.245 62.300 0.280 0.000 1.133 168 V CB 0.670 32.727 31.823 0.390 0.000 0.857 168 V HN 0.517 nan 8.190 nan 0.000 0.478 169 S N -0.781 114.859 115.700 -0.099 0.000 2.546 169 S HA 0.322 4.792 4.470 -0.001 0.000 0.272 169 S C 0.842 175.208 174.600 -0.389 0.000 1.140 169 S CA 0.152 58.086 58.200 -0.444 0.000 0.920 169 S CB 2.004 64.581 63.200 -1.038 0.000 1.083 169 S HN 0.397 nan 8.310 nan 0.000 0.476 170 S N 3.556 119.120 115.700 -0.227 0.000 2.489 170 S HA -0.049 4.421 4.470 -0.001 0.000 0.228 170 S C 1.346 175.847 174.600 -0.164 0.000 0.995 170 S CA 0.447 58.587 58.200 -0.100 0.000 0.934 170 S CB -0.382 62.829 63.200 0.018 0.000 0.771 170 S HN 0.792 nan 8.310 nan 0.000 0.522 171 Q N -0.069 119.529 119.800 -0.337 0.000 2.226 171 Q HA -0.059 4.281 4.340 -0.001 0.000 0.204 171 Q C 1.335 177.292 176.000 -0.072 0.000 0.975 171 Q CA 1.321 56.977 55.803 -0.245 0.000 0.866 171 Q CB -0.380 28.181 28.738 -0.295 0.000 0.915 171 Q HN 0.651 nan 8.270 nan 0.000 0.440 172 F N 0.205 120.149 119.950 -0.009 0.000 2.113 172 F HA -0.153 4.373 4.527 -0.001 0.000 0.297 172 F C 2.072 177.850 175.800 -0.036 0.000 1.103 172 F CA 0.477 58.472 58.000 -0.009 0.000 1.248 172 F CB -1.069 37.957 39.000 0.043 0.000 0.999 172 F HN 0.081 nan 8.300 nan 0.000 0.475 173 L N -0.107 121.198 121.223 0.137 0.000 2.056 173 L HA -0.133 4.207 4.340 -0.001 0.000 0.207 173 L C 2.230 179.054 176.870 -0.078 0.000 1.078 173 L CA 1.991 56.828 54.840 -0.005 0.000 0.749 173 L CB -1.354 40.675 42.059 -0.049 0.000 0.901 173 L HN 0.117 nan 8.230 nan 0.000 0.433 174 T N -0.090 114.434 114.554 -0.051 0.000 2.720 174 T HA -0.208 4.141 4.350 -0.001 0.000 0.268 174 T C 1.896 176.560 174.700 -0.060 0.000 1.037 174 T CA 1.522 63.588 62.100 -0.058 0.000 1.144 174 T CB -0.485 68.364 68.868 -0.032 0.000 0.864 174 T HN 0.571 nan 8.240 nan 0.000 0.444 175 A N 0.948 123.747 122.820 -0.034 0.000 1.902 175 A HA -0.010 4.310 4.320 -0.001 0.000 0.217 175 A C 2.299 179.825 177.584 -0.097 0.000 1.181 175 A CA 1.293 53.298 52.037 -0.053 0.000 0.623 175 A CB -0.823 18.170 19.000 -0.012 0.000 0.818 175 A HN 0.493 nan 8.150 nan 0.000 0.443 176 L N -0.740 120.429 121.223 -0.091 0.000 2.046 176 L HA -0.170 4.170 4.340 -0.001 0.000 0.208 176 L C 2.580 179.386 176.870 -0.107 0.000 1.077 176 L CA 1.016 55.776 54.840 -0.133 0.000 0.747 176 L CB -0.533 41.484 42.059 -0.071 0.000 0.896 176 L HN 0.369 nan 8.230 nan 0.000 0.432 177 L N -0.965 120.196 121.223 -0.104 0.000 2.042 177 L HA -0.249 4.090 4.340 -0.001 0.000 0.210 177 L C 2.622 179.488 176.870 -0.006 0.000 1.076 177 L CA 1.453 56.245 54.840 -0.080 0.000 0.749 177 L CB -0.359 41.613 42.059 -0.144 0.000 0.893 177 L HN 0.323 nan 8.230 nan 0.000 0.432 178 M N -1.530 118.061 119.600 -0.016 0.000 2.319 178 M HA -0.120 4.359 4.480 -0.001 0.000 0.265 178 M C 2.088 178.442 176.300 0.091 0.000 1.068 178 M CA 1.378 56.705 55.300 0.046 0.000 1.118 178 M CB -0.402 32.157 32.600 -0.069 0.000 1.395 178 M HN 0.211 nan 8.290 nan 0.000 0.435 179 T N 0.648 115.185 114.554 -0.028 0.000 2.852 179 T HA 0.077 4.426 4.350 -0.001 0.000 0.256 179 T C 1.980 176.661 174.700 -0.031 0.000 1.038 179 T CA 1.197 63.252 62.100 -0.076 0.000 1.141 179 T CB -0.171 68.534 68.868 -0.271 0.000 0.869 179 T HN 0.440 nan 8.240 nan 0.000 0.439 180 A N 2.328 125.137 122.820 -0.018 0.000 1.948 180 A HA -0.073 4.246 4.320 -0.001 0.000 0.220 180 A C 0.033 177.680 177.584 0.104 0.000 1.177 180 A CA 1.509 53.623 52.037 0.127 0.000 0.636 180 A CB -1.660 17.430 19.000 0.149 0.000 0.815 180 A HN 0.375 nan 8.150 nan 0.000 0.449 181 P HA -0.111 nan 4.420 nan 0.000 0.219 181 P C 0.991 178.255 177.300 -0.061 0.000 1.146 181 P CA 0.874 63.944 63.100 -0.049 0.000 0.808 181 P CB -0.097 31.495 31.700 -0.180 0.000 0.779 182 L N -2.542 118.668 121.223 -0.021 0.000 2.592 182 L HA 0.202 4.541 4.340 -0.001 0.000 0.227 182 L C 1.159 178.073 176.870 0.072 0.000 1.127 182 L CA -0.479 54.366 54.840 0.009 0.000 0.884 182 L CB -0.560 41.521 42.059 0.037 0.000 1.065 182 L HN -0.132 nan 8.230 nan 0.000 0.457 183 A N 1.081 123.975 122.820 0.123 0.000 2.371 183 A HA 0.312 4.631 4.320 -0.001 0.000 0.257 183 A C -1.256 176.375 177.584 0.078 0.000 1.089 183 A CA -1.110 51.025 52.037 0.163 0.000 0.794 183 A CB -0.007 19.172 19.000 0.298 0.000 1.029 183 A HN -0.042 nan 8.150 nan 0.000 0.488 184 P HA -0.083 nan 4.420 nan 0.000 0.217 184 P C 0.090 177.393 177.300 0.005 0.000 1.150 184 P CA 1.220 64.333 63.100 0.022 0.000 0.832 184 P CB 0.202 31.911 31.700 0.014 0.000 0.787 185 E N 0.456 120.650 120.200 -0.011 0.000 2.227 185 E HA 0.229 4.578 4.350 -0.001 0.000 0.268 185 E C -0.186 176.410 176.600 -0.005 0.000 0.990 185 E CA -0.807 55.580 56.400 -0.021 0.000 0.856 185 E CB 0.518 30.186 29.700 -0.052 0.000 1.159 185 E HN 0.019 nan 8.360 nan 0.000 0.401 186 D N 0.852 121.251 120.400 -0.002 0.000 2.382 186 D HA 0.202 4.842 4.640 -0.001 0.000 0.240 186 D C -0.386 175.925 176.300 0.019 0.000 1.146 186 D CA 0.501 54.510 54.000 0.015 0.000 0.897 186 D CB 0.632 41.438 40.800 0.011 0.000 1.197 186 D HN 0.116 nan 8.370 nan 0.000 0.432 187 T N 0.395 114.981 114.554 0.054 0.000 2.861 187 T HA 0.447 4.796 4.350 -0.001 0.000 0.287 187 T C -0.466 174.287 174.700 0.088 0.000 1.003 187 T CA -0.668 61.479 62.100 0.077 0.000 0.977 187 T CB 1.650 70.616 68.868 0.164 0.000 0.996 187 T HN -0.022 nan 8.240 nan 0.000 0.448 188 V N 4.307 124.270 119.914 0.082 0.000 2.350 188 V HA 0.444 4.564 4.120 -0.001 0.000 0.285 188 V C -0.303 175.862 176.094 0.119 0.000 1.014 188 V CA -0.732 61.622 62.300 0.091 0.000 0.831 188 V CB 1.024 32.882 31.823 0.057 0.000 1.000 188 V HN 0.792 nan 8.190 nan 0.000 0.433 189 I N 5.544 126.216 120.570 0.170 0.000 2.297 189 I HA 0.462 4.631 4.170 -0.001 0.000 0.291 189 I C 0.459 176.705 176.117 0.216 0.000 1.033 189 I CA -0.172 61.242 61.300 0.190 0.000 1.253 189 I CB 0.748 38.868 38.000 0.199 0.000 1.396 189 I HN 0.507 nan 8.210 nan 0.000 0.476 190 R N 7.034 127.625 120.500 0.153 0.000 2.294 190 R HA 0.456 4.795 4.340 -0.001 0.000 0.319 190 R C -0.707 175.679 176.300 0.143 0.000 0.984 190 R CA -0.789 55.392 56.100 0.135 0.000 0.861 190 R CB 0.919 31.270 30.300 0.084 0.000 1.104 190 R HN 0.452 nan 8.270 nan 0.000 0.451 191 I N 5.366 126.039 120.570 0.171 0.000 2.416 191 I HA 0.036 4.206 4.170 -0.001 0.000 0.288 191 I C 1.303 177.480 176.117 0.099 0.000 1.051 191 I CA 0.140 61.537 61.300 0.161 0.000 1.375 191 I CB 1.305 39.438 38.000 0.222 0.000 1.407 191 I HN 0.756 nan 8.210 nan 0.000 0.516 192 K N 3.761 124.200 120.400 0.065 0.000 2.026 192 K HA -0.069 4.251 4.320 -0.001 0.000 0.208 192 K C 1.273 177.895 176.600 0.037 0.000 1.048 192 K CA 1.456 57.763 56.287 0.034 0.000 0.929 192 K CB 0.177 32.675 32.500 -0.005 0.000 0.713 192 K HN 0.911 nan 8.250 nan 0.000 0.439 193 G N -0.055 108.772 108.800 0.046 0.000 3.551 193 G HA2 0.043 4.002 3.960 -0.001 0.000 0.174 193 G HA3 0.043 4.002 3.960 -0.001 0.000 0.174 193 G C -1.201 173.738 174.900 0.065 0.000 1.280 193 G CA -0.506 44.622 45.100 0.045 0.000 1.236 193 G HN -0.012 nan 8.290 nan 0.000 0.731 194 D N 0.518 120.953 120.400 0.059 0.000 2.362 194 D HA 0.472 5.111 4.640 -0.001 0.000 0.242 194 D C -0.573 175.783 176.300 0.095 0.000 1.132 194 D CA 0.146 54.188 54.000 0.069 0.000 0.907 194 D CB 2.063 42.898 40.800 0.059 0.000 1.195 194 D HN 0.201 nan 8.370 nan 0.000 0.429 195 L N 2.455 123.739 121.223 0.102 0.000 2.372 195 L HA 0.343 4.683 4.340 -0.001 0.000 0.274 195 L C -0.639 176.292 176.870 0.102 0.000 0.988 195 L CA -0.819 54.095 54.840 0.124 0.000 0.833 195 L CB 1.410 43.571 42.059 0.171 0.000 1.236 195 L HN 0.214 nan 8.230 nan 0.000 0.410 196 V N 1.675 121.651 119.914 0.104 0.000 2.973 196 V HA 0.651 4.770 4.120 -0.001 0.000 0.314 196 V C 0.744 176.906 176.094 0.114 0.000 1.066 196 V CA -0.152 62.209 62.300 0.102 0.000 1.021 196 V CB 1.217 33.103 31.823 0.105 0.000 1.076 196 V HN 0.909 nan 8.190 nan 0.000 0.462 197 S N -0.108 115.678 115.700 0.143 0.000 3.549 197 S HA -0.232 4.238 4.470 -0.001 0.000 0.366 197 S C 1.270 176.013 174.600 0.239 0.000 1.012 197 S CA 1.348 59.686 58.200 0.230 0.000 1.141 197 S CB -1.512 61.815 63.200 0.211 0.000 0.910 197 S HN 1.112 nan 8.310 nan 0.000 0.471 198 K N 1.513 121.996 120.400 0.139 0.000 2.113 198 K HA -0.156 4.164 4.320 -0.001 0.000 0.208 198 K C -1.071 175.586 176.600 0.095 0.000 1.047 198 K CA 1.865 58.204 56.287 0.087 0.000 0.928 198 K CB -0.550 31.913 32.500 -0.062 0.000 0.716 198 K HN 0.378 nan 8.250 nan 0.000 0.446 199 P HA -0.144 nan 4.420 nan 0.000 0.219 199 P C 0.313 177.562 177.300 -0.085 0.000 1.146 199 P CA 1.152 64.226 63.100 -0.044 0.000 0.808 199 P CB -0.048 31.574 31.700 -0.130 0.000 0.779 200 Y N -1.327 119.011 120.300 0.065 0.000 2.439 200 Y HA -0.106 4.444 4.550 -0.001 0.000 0.292 200 Y C 2.177 178.111 175.900 0.057 0.000 1.130 200 Y CA 0.430 58.559 58.100 0.048 0.000 1.254 200 Y CB -0.639 37.832 38.460 0.018 0.000 1.000 200 Y HN -0.077 nan 8.280 nan 0.000 0.554 201 I N -0.113 120.588 120.570 0.219 0.000 2.353 201 I HA -0.229 3.940 4.170 -0.001 0.000 0.248 201 I C 1.592 177.820 176.117 0.184 0.000 1.119 201 I CA 1.236 62.647 61.300 0.185 0.000 1.417 201 I CB -1.035 37.129 38.000 0.273 0.000 1.078 201 I HN 0.229 nan 8.210 nan 0.000 0.421 202 D N 0.954 121.475 120.400 0.202 0.000 2.144 202 D HA -0.116 4.524 4.640 -0.001 0.000 0.199 202 D C 2.378 178.741 176.300 0.106 0.000 0.984 202 D CA 1.027 55.127 54.000 0.167 0.000 0.834 202 D CB -0.046 40.842 40.800 0.146 0.000 0.955 202 D HN 0.312 nan 8.370 nan 0.000 0.465 203 I N 0.888 121.506 120.570 0.080 0.000 2.179 203 I HA -0.255 3.914 4.170 -0.001 0.000 0.242 203 I C 2.280 178.448 176.117 0.085 0.000 1.088 203 I CA 1.112 62.457 61.300 0.075 0.000 1.357 203 I CB -0.449 37.595 38.000 0.074 0.000 1.051 203 I HN -0.014 nan 8.210 nan 0.000 0.409 204 T N 1.491 116.094 114.554 0.082 0.000 2.684 204 T HA -0.147 4.203 4.350 -0.001 0.000 0.267 204 T C 1.951 176.683 174.700 0.054 0.000 1.036 204 T CA 1.327 63.455 62.100 0.047 0.000 1.148 204 T CB -0.363 68.520 68.868 0.024 0.000 0.863 204 T HN 0.247 nan 8.240 nan 0.000 0.436 205 L N 1.410 122.677 121.223 0.074 0.000 2.131 205 L HA -0.093 4.247 4.340 -0.001 0.000 0.210 205 L C 2.754 179.681 176.870 0.095 0.000 1.092 205 L CA 0.879 55.770 54.840 0.085 0.000 0.759 205 L CB -0.614 41.503 42.059 0.097 0.000 0.903 205 L HN 0.293 nan 8.230 nan 0.000 0.435 206 N N 0.705 119.463 118.700 0.096 0.000 2.106 206 N HA -0.177 4.562 4.740 -0.001 0.000 0.188 206 N C 1.867 177.450 175.510 0.122 0.000 1.029 206 N CA 1.368 54.480 53.050 0.104 0.000 0.848 206 N CB 0.002 38.551 38.487 0.103 0.000 1.007 206 N HN 0.172 nan 8.380 nan 0.000 0.423 207 L N 0.934 122.224 121.223 0.112 0.000 2.046 207 L HA -0.070 4.269 4.340 -0.001 0.000 0.208 207 L C 2.482 179.456 176.870 0.173 0.000 1.077 207 L CA 1.095 56.006 54.840 0.119 0.000 0.747 207 L CB -0.958 41.121 42.059 0.032 0.000 0.896 207 L HN 0.299 nan 8.230 nan 0.000 0.432 208 M N -0.610 119.066 119.600 0.126 0.000 2.117 208 M HA -0.265 4.215 4.480 -0.001 0.000 0.262 208 M C 2.255 178.709 176.300 0.257 0.000 1.065 208 M CA 1.694 57.119 55.300 0.209 0.000 1.114 208 M CB -0.360 32.361 32.600 0.203 0.000 1.361 208 M HN 0.108 nan 8.290 nan 0.000 0.408 209 K N -0.204 120.298 120.400 0.170 0.000 2.097 209 K HA -0.136 4.183 4.320 -0.001 0.000 0.206 209 K C 1.743 178.410 176.600 0.111 0.000 1.049 209 K CA 1.678 58.043 56.287 0.131 0.000 0.933 209 K CB -0.058 32.498 32.500 0.094 0.000 0.717 209 K HN 0.208 nan 8.250 nan 0.000 0.442 210 T N 0.306 114.919 114.554 0.099 0.000 2.759 210 T HA -0.116 4.233 4.350 -0.001 0.000 0.269 210 T C 0.855 175.449 174.700 -0.177 0.000 1.042 210 T CA 1.217 63.300 62.100 -0.029 0.000 1.140 210 T CB -0.186 68.638 68.868 -0.074 0.000 0.864 210 T HN 0.182 nan 8.240 nan 0.000 0.455 211 F N 0.637 120.592 119.950 0.009 0.000 2.663 211 F HA 0.386 4.913 4.527 -0.001 0.000 0.299 211 F C 1.681 177.604 175.800 0.204 0.000 1.143 211 F CA -0.167 57.874 58.000 0.069 0.000 1.387 211 F CB -0.128 38.846 39.000 -0.043 0.000 1.019 211 F HN 0.249 nan 8.300 nan 0.000 0.523 212 G N 0.345 109.271 108.800 0.209 0.000 2.136 212 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.242 212 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.242 212 G C -0.362 174.612 174.900 0.122 0.000 0.989 212 G CA 0.056 45.243 45.100 0.145 0.000 0.682 212 G HN 0.186 nan 8.290 nan 0.000 0.522 213 V N 0.053 120.068 119.914 0.169 0.000 2.638 213 V HA 0.675 4.795 4.120 -0.001 0.000 0.306 213 V C -0.105 176.049 176.094 0.101 0.000 1.052 213 V CA -0.818 61.538 62.300 0.092 0.000 0.885 213 V CB 1.972 33.816 31.823 0.035 0.000 0.999 213 V HN 0.369 nan 8.190 nan 0.000 0.424 214 E N 3.319 123.554 120.200 0.058 0.000 2.336 214 E HA 0.777 5.127 4.350 -0.001 0.000 0.267 214 E C -1.312 175.317 176.600 0.048 0.000 0.906 214 E CA -0.756 55.678 56.400 0.057 0.000 0.781 214 E CB 2.972 32.696 29.700 0.040 0.000 1.261 214 E HN 0.639 nan 8.360 nan 0.000 0.436 215 I N -2.607 117.997 120.570 0.058 0.000 3.264 215 I HA 0.441 4.610 4.170 -0.001 0.000 0.315 215 I C -0.610 175.532 176.117 0.042 0.000 1.154 215 I CA -0.918 60.420 61.300 0.063 0.000 0.962 215 I CB 1.598 39.663 38.000 0.109 0.000 1.265 215 I HN 0.346 nan 8.210 nan 0.000 0.463 216 E N 2.168 122.384 120.200 0.028 0.000 2.081 216 E HA 0.213 4.563 4.350 -0.001 0.000 0.281 216 E C -1.066 175.470 176.600 -0.106 0.000 0.986 216 E CA -0.424 55.954 56.400 -0.037 0.000 0.796 216 E CB 0.501 30.177 29.700 -0.040 0.000 1.085 216 E HN 0.593 nan 8.360 nan 0.000 0.398 217 N N 4.308 122.885 118.700 -0.205 0.000 2.420 217 N HA 0.029 4.768 4.740 -0.001 0.000 0.249 217 N C -1.145 174.041 175.510 -0.540 0.000 1.033 217 N CA -0.101 52.647 53.050 -0.503 0.000 0.944 217 N CB 0.853 39.066 38.487 -0.458 0.000 1.113 217 N HN 0.452 nan 8.380 nan 0.000 0.502 218 Q N 2.868 122.328 119.800 -0.567 0.000 2.673 218 Q HA 0.145 4.485 4.340 -0.001 0.000 0.224 218 Q C -0.651 175.184 176.000 -0.276 0.000 1.226 218 Q CA -0.430 55.155 55.803 -0.364 0.000 1.019 218 Q CB -0.154 28.468 28.738 -0.193 0.000 1.312 218 Q HN 0.691 nan 8.270 nan 0.000 0.566 219 H N 0.019 118.965 119.070 -0.207 0.000 2.690 219 H HA -0.263 4.293 4.556 -0.001 0.000 0.309 219 H C -0.817 174.582 175.328 0.118 0.000 1.138 219 H CA 0.846 56.892 56.048 -0.004 0.000 1.142 219 H CB -2.002 27.774 29.762 0.024 0.000 1.410 219 H HN 0.750 nan 8.280 nan 0.000 0.409 220 Y N -3.244 116.934 120.300 -0.204 0.000 4.538 220 Y HA -0.399 4.151 4.550 -0.001 0.000 0.225 220 Y C 1.569 177.461 175.900 -0.012 0.000 1.074 220 Y CA 1.500 59.533 58.100 -0.112 0.000 1.942 220 Y CB -1.912 36.630 38.460 0.137 0.000 1.618 220 Y HN 0.632 nan 8.280 nan 0.000 0.642 221 Q N -0.598 119.195 119.800 -0.012 0.000 2.378 221 Q HA 0.133 4.473 4.340 -0.001 0.000 0.229 221 Q C 0.610 176.628 176.000 0.031 0.000 0.882 221 Q CA 0.574 56.418 55.803 0.070 0.000 0.936 221 Q CB 1.001 29.779 28.738 0.067 0.000 1.092 221 Q HN 0.567 nan 8.270 nan 0.000 0.535 222 Q N -0.273 119.429 119.800 -0.164 0.000 2.320 222 Q HA 0.399 4.739 4.340 -0.001 0.000 0.272 222 Q C -1.864 173.932 176.000 -0.341 0.000 1.023 222 Q CA -0.420 55.334 55.803 -0.082 0.000 0.855 222 Q CB 1.473 30.189 28.738 -0.035 0.000 1.367 222 Q HN -0.027 nan 8.270 nan 0.000 0.406 223 F N 2.157 122.111 119.950 0.007 0.000 2.477 223 F HA 0.487 5.014 4.527 -0.001 0.000 0.335 223 F C -0.516 175.287 175.800 0.005 0.000 1.130 223 F CA -0.805 57.188 58.000 -0.011 0.000 0.948 223 F CB 1.965 40.963 39.000 -0.005 0.000 1.154 223 F HN 0.235 nan 8.300 nan 0.000 0.439 224 V N 4.842 124.824 119.914 0.112 0.000 2.350 224 V HA 0.511 4.631 4.120 -0.001 0.000 0.276 224 V C -0.357 175.788 176.094 0.085 0.000 1.028 224 V CA -0.692 61.655 62.300 0.078 0.000 0.860 224 V CB 1.389 33.227 31.823 0.025 0.000 0.990 224 V HN 0.504 nan 8.190 nan 0.000 0.453 225 V N 5.446 125.413 119.914 0.087 0.000 2.495 225 V HA 0.506 4.625 4.120 -0.001 0.000 0.298 225 V C -0.021 176.102 176.094 0.048 0.000 1.031 225 V CA -1.149 61.195 62.300 0.073 0.000 0.871 225 V CB 1.981 33.859 31.823 0.092 0.000 0.988 225 V HN 0.672 nan 8.190 nan 0.000 0.432 226 K N 3.020 123.437 120.400 0.028 0.000 2.234 226 K HA 0.492 4.811 4.320 -0.001 0.000 0.282 226 K C 0.494 177.101 176.600 0.010 0.000 1.039 226 K CA -0.004 56.292 56.287 0.014 0.000 0.928 226 K CB 1.802 34.303 32.500 0.003 0.000 1.039 226 K HN 0.901 nan 8.250 nan 0.000 0.470 227 G N -0.481 108.327 108.800 0.014 0.000 2.588 227 G HA2 0.404 4.363 3.960 -0.001 0.000 0.281 227 G HA3 0.404 4.363 3.960 -0.001 0.000 0.281 227 G C 0.580 175.479 174.900 -0.002 0.000 1.236 227 G CA -0.013 45.096 45.100 0.015 0.000 0.969 227 G HN 0.676 nan 8.290 nan 0.000 0.504 228 G N -1.653 107.148 108.800 0.001 0.000 2.160 228 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.251 228 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.251 228 G C 0.411 175.295 174.900 -0.025 0.000 1.008 228 G CA 0.840 45.937 45.100 -0.005 0.000 0.724 228 G HN 0.765 nan 8.290 nan 0.000 0.514 229 Q N -0.486 119.280 119.800 -0.056 0.000 2.185 229 Q HA 0.708 5.048 4.340 -0.001 0.000 0.225 229 Q C -0.200 175.731 176.000 -0.115 0.000 0.983 229 Q CA -0.178 55.566 55.803 -0.099 0.000 0.950 229 Q CB 1.349 29.995 28.738 -0.153 0.000 1.176 229 Q HN 0.250 nan 8.270 nan 0.000 0.510 230 S N -0.169 115.453 115.700 -0.130 0.000 2.547 230 S HA 0.411 4.881 4.470 -0.001 0.000 0.281 230 S C -1.520 173.049 174.600 -0.050 0.000 1.118 230 S CA -0.684 57.490 58.200 -0.044 0.000 0.947 230 S CB 0.611 63.816 63.200 0.008 0.000 1.053 230 S HN 0.322 nan 8.310 nan 0.000 0.482 231 Y N 1.938 122.340 120.300 0.170 0.000 2.304 231 Y HA 0.439 4.988 4.550 -0.001 0.000 0.327 231 Y C 0.838 176.883 175.900 0.242 0.000 1.209 231 Y CA -0.104 58.106 58.100 0.184 0.000 1.299 231 Y CB 0.671 39.218 38.460 0.145 0.000 1.249 231 Y HN 0.395 nan 8.280 nan 0.000 0.519 232 Q N 0.995 121.030 119.800 0.391 0.000 2.356 232 Q HA 0.239 4.578 4.340 -0.001 0.000 0.270 232 Q C -0.504 175.613 176.000 0.196 0.000 1.058 232 Q CA -0.844 55.111 55.803 0.254 0.000 0.802 232 Q CB 2.283 31.096 28.738 0.125 0.000 1.303 232 Q HN 0.696 nan 8.270 nan 0.000 0.444 233 S N 3.097 118.893 115.700 0.159 0.000 2.546 233 S HA 0.100 4.570 4.470 -0.001 0.000 0.290 233 S C -1.361 173.172 174.600 -0.112 0.000 1.290 233 S CA -0.560 57.669 58.200 0.048 0.000 1.069 233 S CB 0.348 63.596 63.200 0.081 0.000 0.846 233 S HN 0.404 nan 8.310 nan 0.000 0.495 234 P HA 0.256 nan 4.420 nan 0.000 0.255 234 P C 1.051 178.288 177.300 -0.104 0.000 1.248 234 P CA 0.683 63.625 63.100 -0.263 0.000 0.807 234 P CB -0.451 30.964 31.700 -0.475 0.000 1.150 235 G N 0.914 109.680 108.800 -0.057 0.000 2.650 235 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.264 235 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.264 235 G C -0.098 174.816 174.900 0.023 0.000 1.263 235 G CA 0.202 45.300 45.100 -0.003 0.000 0.960 235 G HN 0.516 nan 8.290 nan 0.000 0.548 236 T N -1.561 113.013 114.554 0.033 0.000 2.806 236 T HA 0.591 4.941 4.350 -0.001 0.000 0.290 236 T C -0.749 174.009 174.700 0.097 0.000 0.966 236 T CA 0.146 62.280 62.100 0.057 0.000 1.060 236 T CB 2.059 70.945 68.868 0.030 0.000 0.927 236 T HN 1.431 nan 8.240 nan 0.000 0.485 237 Y N 3.077 123.361 120.300 -0.027 0.000 2.373 237 Y HA 0.575 5.124 4.550 -0.001 0.000 0.336 237 Y C -1.438 174.461 175.900 -0.001 0.000 0.979 237 Y CA -1.808 56.274 58.100 -0.029 0.000 1.080 237 Y CB 1.633 40.071 38.460 -0.037 0.000 1.190 237 Y HN 0.826 nan 8.280 nan 0.000 0.446 238 L N 7.332 128.223 121.223 -0.553 0.000 2.257 238 L HA 0.559 4.899 4.340 -0.001 0.000 0.290 238 L C -1.229 175.328 176.870 -0.523 0.000 1.044 238 L CA -0.437 54.175 54.840 -0.380 0.000 0.810 238 L CB 0.833 42.737 42.059 -0.257 0.000 1.193 238 L HN 0.504 nan 8.230 nan 0.000 0.425 239 V N 5.546 125.347 119.914 -0.189 0.000 2.508 239 V HA 0.138 4.258 4.120 -0.001 0.000 0.281 239 V C 0.643 176.701 176.094 -0.060 0.000 1.041 239 V CA -0.521 61.756 62.300 -0.039 0.000 1.016 239 V CB 0.470 32.338 31.823 0.074 0.000 0.984 239 V HN 0.764 nan 8.190 nan 0.000 0.478 240 E N 2.906 123.084 120.200 -0.038 0.000 2.436 240 E HA 0.225 4.575 4.350 -0.001 0.000 0.262 240 E C 0.788 177.382 176.600 -0.009 0.000 1.063 240 E CA 0.217 56.603 56.400 -0.023 0.000 0.944 240 E CB 0.594 30.297 29.700 0.004 0.000 0.950 240 E HN 0.868 nan 8.360 nan 0.000 0.444 241 G N 1.568 110.362 108.800 -0.010 0.000 2.614 241 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.239 241 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.239 241 G C -0.261 174.633 174.900 -0.010 0.000 1.240 241 G CA -0.439 44.652 45.100 -0.016 0.000 0.842 241 G HN 0.510 nan 8.290 nan 0.000 0.584 242 D N 1.114 121.493 120.400 -0.035 0.000 2.336 242 D HA 0.289 4.928 4.640 -0.001 0.000 0.249 242 D C 1.309 177.602 176.300 -0.011 0.000 1.213 242 D CA 0.095 54.080 54.000 -0.026 0.000 0.870 242 D CB 1.346 42.108 40.800 -0.063 0.000 1.076 242 D HN 0.274 nan 8.370 nan 0.000 0.483 243 A N 3.185 126.004 122.820 -0.002 0.000 2.015 243 A HA -0.109 4.210 4.320 -0.001 0.000 0.219 243 A C 2.203 179.732 177.584 -0.091 0.000 1.163 243 A CA 1.006 53.034 52.037 -0.015 0.000 0.646 243 A CB 0.064 19.070 19.000 0.010 0.000 0.806 243 A HN 0.549 nan 8.150 nan 0.000 0.448 244 S N 0.106 115.756 115.700 -0.083 0.000 2.357 244 S HA -0.091 4.379 4.470 -0.001 0.000 0.221 244 S C 2.226 176.698 174.600 -0.214 0.000 1.031 244 S CA 1.344 59.441 58.200 -0.172 0.000 0.982 244 S CB -0.266 62.905 63.200 -0.048 0.000 0.853 244 S HN 0.629 nan 8.310 nan 0.000 0.458 245 S N 1.964 117.659 115.700 -0.008 0.000 2.399 245 S HA -0.038 4.432 4.470 -0.001 0.000 0.231 245 S C 2.164 176.850 174.600 0.144 0.000 1.022 245 S CA 0.916 59.236 58.200 0.201 0.000 0.983 245 S CB -0.438 62.782 63.200 0.034 0.000 0.803 245 S HN 0.598 nan 8.310 nan 0.000 0.480 246 A N 1.858 124.696 122.820 0.031 0.000 2.015 246 A HA -0.082 4.238 4.320 -0.001 0.000 0.219 246 A C 2.321 179.819 177.584 -0.144 0.000 1.163 246 A CA 1.691 53.788 52.037 0.099 0.000 0.646 246 A CB -0.911 18.133 19.000 0.072 0.000 0.806 246 A HN 0.622 nan 8.150 nan 0.000 0.448 247 S N -0.652 114.719 115.700 -0.549 0.000 2.387 247 S HA -0.270 4.199 4.470 -0.001 0.000 0.230 247 S C 1.816 175.973 174.600 -0.739 0.000 1.035 247 S CA 1.702 59.299 58.200 -1.006 0.000 1.014 247 S CB -0.942 61.146 63.200 -1.853 0.000 0.836 247 S HN 0.583 nan 8.310 nan 0.000 0.466 248 Y N 1.132 121.174 120.300 -0.430 0.000 2.224 248 Y HA 0.079 4.628 4.550 -0.001 0.000 0.289 248 Y C 2.137 177.879 175.900 -0.263 0.000 1.146 248 Y CA 0.746 58.608 58.100 -0.395 0.000 1.182 248 Y CB -0.946 37.181 38.460 -0.555 0.000 0.983 248 Y HN 0.263 nan 8.280 nan 0.000 0.524 249 F N -0.930 119.138 119.950 0.197 0.000 2.234 249 F HA -0.052 4.475 4.527 -0.001 0.000 0.296 249 F C 2.078 177.927 175.800 0.082 0.000 1.089 249 F CA 0.632 58.708 58.000 0.126 0.000 1.343 249 F CB -1.200 37.870 39.000 0.117 0.000 1.040 249 F HN -0.041 nan 8.300 nan 0.000 0.498 250 L N -0.275 121.084 121.223 0.227 0.000 2.056 250 L HA -0.135 4.205 4.340 -0.001 0.000 0.207 250 L C 2.706 179.673 176.870 0.162 0.000 1.078 250 L CA 1.135 56.080 54.840 0.174 0.000 0.749 250 L CB -1.049 41.123 42.059 0.190 0.000 0.901 250 L HN 0.139 nan 8.230 nan 0.000 0.433 251 A N 0.154 123.104 122.820 0.217 0.000 1.933 251 A HA -0.146 4.173 4.320 -0.001 0.000 0.218 251 A C 2.556 180.184 177.584 0.074 0.000 1.175 251 A CA 1.610 53.751 52.037 0.173 0.000 0.628 251 A CB -0.664 18.482 19.000 0.243 0.000 0.814 251 A HN 0.386 nan 8.150 nan 0.000 0.444 252 A N -0.059 122.813 122.820 0.086 0.000 1.908 252 A HA 0.105 4.424 4.320 -0.001 0.000 0.218 252 A C 2.482 180.067 177.584 0.002 0.000 1.181 252 A CA 2.195 54.255 52.037 0.039 0.000 0.627 252 A CB -0.954 18.112 19.000 0.110 0.000 0.818 252 A HN 1.059 nan 8.150 nan 0.000 0.445 253 A N -0.326 122.516 122.820 0.036 0.000 1.930 253 A HA 0.233 4.553 4.320 -0.001 0.000 0.217 253 A C 2.461 180.034 177.584 -0.018 0.000 1.175 253 A CA 1.805 53.846 52.037 0.007 0.000 0.627 253 A CB -0.920 18.092 19.000 0.021 0.000 0.815 253 A HN 1.075 nan 8.150 nan 0.000 0.443 254 A N -0.346 122.466 122.820 -0.013 0.000 2.019 254 A HA -0.032 4.288 4.320 -0.001 0.000 0.219 254 A C 2.034 179.588 177.584 -0.049 0.000 1.164 254 A CA 1.554 53.574 52.037 -0.028 0.000 0.644 254 A CB -0.487 18.496 19.000 -0.028 0.000 0.805 254 A HN 0.516 nan 8.150 nan 0.000 0.449 255 I N -2.529 117.985 120.570 -0.094 0.000 2.494 255 I HA 0.042 4.211 4.170 -0.001 0.000 0.250 255 I C 1.682 177.681 176.117 -0.196 0.000 1.112 255 I CA 1.154 62.333 61.300 -0.202 0.000 1.438 255 I CB 0.255 37.989 38.000 -0.443 0.000 1.111 255 I HN 0.059 nan 8.210 nan 0.000 0.431 256 K N 0.588 120.899 120.400 -0.150 0.000 2.644 256 K HA 0.307 4.627 4.320 -0.001 0.000 0.198 256 K C 0.102 176.667 176.600 -0.057 0.000 1.113 256 K CA -0.122 56.098 56.287 -0.111 0.000 1.073 256 K CB 0.733 33.150 32.500 -0.137 0.000 0.811 256 K HN 0.148 nan 8.250 nan 0.000 0.508 257 G N -0.646 108.128 108.800 -0.043 0.000 2.557 257 G HA2 0.546 4.505 3.960 -0.001 0.000 0.292 257 G HA3 0.546 4.505 3.960 -0.001 0.000 0.292 257 G C 0.095 174.982 174.900 -0.022 0.000 1.237 257 G CA -0.020 45.064 45.100 -0.026 0.000 0.978 257 G HN 0.429 nan 8.290 nan 0.000 0.498 258 G N -2.080 106.709 108.800 -0.018 0.000 2.781 258 G HA2 0.224 4.184 3.960 -0.001 0.000 0.683 258 G HA3 0.224 4.184 3.960 -0.001 0.000 0.683 258 G C -0.347 174.542 174.900 -0.018 0.000 1.390 258 G CA -0.048 45.041 45.100 -0.018 0.000 0.850 258 G HN 1.198 nan 8.290 nan 0.000 0.557 259 T N 0.203 114.744 114.554 -0.021 0.000 2.841 259 T HA 0.595 4.945 4.350 -0.001 0.000 0.285 259 T C -0.196 174.490 174.700 -0.024 0.000 0.991 259 T CA -0.390 61.696 62.100 -0.023 0.000 0.966 259 T CB 1.906 70.755 68.868 -0.033 0.000 0.962 259 T HN 1.034 nan 8.240 nan 0.000 0.438 260 V N 3.939 123.847 119.914 -0.009 0.000 2.448 260 V HA 0.542 4.662 4.120 -0.001 0.000 0.295 260 V C -0.055 176.038 176.094 -0.001 0.000 1.025 260 V CA -0.864 61.435 62.300 -0.001 0.000 0.859 260 V CB 1.821 33.673 31.823 0.048 0.000 0.988 260 V HN 0.726 nan 8.190 nan 0.000 0.431 261 K N 4.382 124.765 120.400 -0.028 0.000 2.244 261 K HA 0.761 5.081 4.320 -0.001 0.000 0.260 261 K C -0.961 175.641 176.600 0.003 0.000 0.951 261 K CA -0.543 55.730 56.287 -0.023 0.000 0.826 261 K CB 1.990 34.418 32.500 -0.119 0.000 1.108 261 K HN 0.594 nan 8.250 nan 0.000 0.433 262 V N 0.573 120.523 119.914 0.061 0.000 2.513 262 V HA 0.610 4.730 4.120 -0.001 0.000 0.299 262 V C -0.252 175.898 176.094 0.094 0.000 1.035 262 V CA -0.585 61.757 62.300 0.069 0.000 0.889 262 V CB 1.074 32.970 31.823 0.122 0.000 0.988 262 V HN 0.901 nan 8.190 nan 0.000 0.440 263 T N 0.392 114.985 114.554 0.064 0.000 2.940 263 T HA 0.824 5.174 4.350 -0.001 0.000 0.288 263 T C 0.897 175.630 174.700 0.055 0.000 1.033 263 T CA 0.064 62.214 62.100 0.084 0.000 1.033 263 T CB 1.389 70.292 68.868 0.058 0.000 1.079 263 T HN 2.417 nan 8.240 nan 0.000 0.496 264 G N 0.952 109.785 108.800 0.054 0.000 2.231 264 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.206 264 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.206 264 G C -0.036 174.881 174.900 0.028 0.000 0.996 264 G CA -0.053 45.063 45.100 0.026 0.000 0.645 264 G HN 1.515 nan 8.290 nan 0.000 0.498 265 I N -2.653 117.947 120.570 0.050 0.000 2.994 265 I HA 0.940 5.109 4.170 -0.001 0.000 0.306 265 I C 0.230 176.391 176.117 0.073 0.000 1.195 265 I CA -0.720 60.615 61.300 0.058 0.000 1.001 265 I CB 1.962 40.002 38.000 0.066 0.000 1.244 265 I HN 0.675 nan 8.210 nan 0.000 0.437 266 G N 3.066 111.925 108.800 0.099 0.000 2.650 266 G HA2 0.307 4.267 3.960 -0.001 0.000 0.310 266 G HA3 0.307 4.267 3.960 -0.001 0.000 0.310 266 G C 0.076 175.112 174.900 0.227 0.000 1.270 266 G CA -0.408 44.768 45.100 0.128 0.000 0.810 266 G HN 0.910 nan 8.290 nan 0.000 0.493 267 R N -0.427 120.184 120.500 0.186 0.000 2.193 267 R HA -0.023 4.317 4.340 -0.001 0.000 0.229 267 R C 1.017 177.267 176.300 -0.082 0.000 1.110 267 R CA 1.893 57.976 56.100 -0.029 0.000 0.988 267 R CB -0.379 29.817 30.300 -0.173 0.000 0.871 267 R HN 0.396 nan 8.270 nan 0.000 0.458 268 N N 0.813 119.499 118.700 -0.024 0.000 2.336 268 N HA -0.029 4.710 4.740 -0.001 0.000 0.189 268 N C -0.094 175.414 175.510 -0.003 0.000 1.113 268 N CA 0.104 53.137 53.050 -0.028 0.000 0.858 268 N CB 0.687 39.160 38.487 -0.023 0.000 0.970 268 N HN 0.138 nan 8.380 nan 0.000 0.471 269 S N 1.139 116.854 115.700 0.025 0.000 2.563 269 S HA -0.029 4.440 4.470 -0.001 0.000 0.284 269 S C 1.321 175.935 174.600 0.023 0.000 1.331 269 S CA -0.413 57.807 58.200 0.035 0.000 1.047 269 S CB 0.424 63.663 63.200 0.066 0.000 0.859 269 S HN 0.363 nan 8.310 nan 0.000 0.514 270 M N 2.342 121.957 119.600 0.025 0.000 2.541 270 M HA 0.203 4.682 4.480 -0.001 0.000 0.252 270 M C 0.389 176.686 176.300 -0.005 0.000 1.125 270 M CA 0.386 55.699 55.300 0.021 0.000 1.091 270 M CB -0.226 32.401 32.600 0.045 0.000 1.420 270 M HN 0.556 nan 8.290 nan 0.000 0.486 271 Q N 1.615 121.411 119.800 -0.008 0.000 2.304 271 Q HA 0.254 4.593 4.340 -0.001 0.000 0.260 271 Q C 1.251 177.207 176.000 -0.072 0.000 0.965 271 Q CA 0.041 55.808 55.803 -0.061 0.000 0.898 271 Q CB 1.407 30.128 28.738 -0.028 0.000 1.196 271 Q HN 0.534 nan 8.270 nan 0.000 0.402 272 G N 2.712 111.404 108.800 -0.181 0.000 2.448 272 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.219 272 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.219 272 G C 0.560 175.441 174.900 -0.033 0.000 1.127 272 G CA 0.412 45.443 45.100 -0.115 0.000 0.766 272 G HN 0.585 nan 8.290 nan 0.000 0.552 273 D N 0.421 120.788 120.400 -0.056 0.000 2.371 273 D HA -0.063 4.576 4.640 -0.001 0.000 0.221 273 D C 2.539 178.902 176.300 0.104 0.000 0.986 273 D CA 0.233 54.243 54.000 0.016 0.000 0.899 273 D CB -0.147 40.633 40.800 -0.032 0.000 0.902 273 D HN 0.633 nan 8.370 nan 0.000 0.530 274 I N -2.077 118.571 120.570 0.130 0.000 2.756 274 I HA -0.084 4.085 4.170 -0.001 0.000 0.262 274 I C 1.561 177.880 176.117 0.336 0.000 1.225 274 I CA 0.690 62.136 61.300 0.243 0.000 1.472 274 I CB -0.081 38.110 38.000 0.319 0.000 1.094 274 I HN -0.208 nan 8.210 nan 0.000 0.454 275 R N 0.672 121.324 120.500 0.255 0.000 2.316 275 R HA -0.052 4.287 4.340 -0.001 0.000 0.202 275 R C 1.847 178.292 176.300 0.241 0.000 1.029 275 R CA 0.765 57.021 56.100 0.260 0.000 1.018 275 R CB -0.837 29.611 30.300 0.247 0.000 0.888 275 R HN 0.502 nan 8.270 nan 0.000 0.471 276 F N 1.689 121.677 119.950 0.064 0.000 2.216 276 F HA -0.135 4.392 4.527 -0.001 0.000 0.300 276 F C 2.151 177.965 175.800 0.023 0.000 1.085 276 F CA 1.131 59.137 58.000 0.009 0.000 1.326 276 F CB -0.090 38.879 39.000 -0.052 0.000 1.027 276 F HN 0.011 nan 8.300 nan 0.000 0.497 277 A N 0.179 123.058 122.820 0.098 0.000 1.933 277 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 277 A C 1.887 179.451 177.584 -0.034 0.000 1.175 277 A CA 1.958 53.963 52.037 -0.054 0.000 0.628 277 A CB -0.962 17.946 19.000 -0.153 0.000 0.814 277 A HN 0.444 nan 8.150 nan 0.000 0.444 278 D N -0.220 120.243 120.400 0.105 0.000 2.144 278 D HA -0.100 4.540 4.640 -0.001 0.000 0.199 278 D C 1.981 178.273 176.300 -0.013 0.000 0.984 278 D CA 1.373 55.433 54.000 0.100 0.000 0.834 278 D CB -0.426 40.455 40.800 0.135 0.000 0.955 278 D HN 0.266 nan 8.370 nan 0.000 0.465 279 V N 0.876 120.727 119.914 -0.104 0.000 2.358 279 V HA -0.175 3.945 4.120 -0.001 0.000 0.246 279 V C 2.602 178.564 176.094 -0.219 0.000 1.047 279 V CA 0.988 63.193 62.300 -0.158 0.000 1.035 279 V CB -0.473 31.211 31.823 -0.231 0.000 0.658 279 V HN 0.203 nan 8.190 nan 0.000 0.452 280 L N -0.073 120.939 121.223 -0.351 0.000 2.083 280 L HA -0.224 4.116 4.340 -0.001 0.000 0.209 280 L C 2.603 179.396 176.870 -0.127 0.000 1.083 280 L CA 1.985 56.666 54.840 -0.265 0.000 0.752 280 L CB -0.572 41.308 42.059 -0.298 0.000 0.899 280 L HN 0.440 nan 8.230 nan 0.000 0.433 281 E N 0.704 120.851 120.200 -0.089 0.000 2.077 281 E HA -0.286 4.064 4.350 -0.001 0.000 0.193 281 E C 2.229 178.815 176.600 -0.024 0.000 0.989 281 E CA 1.273 57.654 56.400 -0.031 0.000 0.800 281 E CB 0.087 29.798 29.700 0.018 0.000 0.746 281 E HN 0.293 nan 8.360 nan 0.000 0.452 282 K N -0.025 120.357 120.400 -0.030 0.000 2.147 282 K HA -0.119 4.201 4.320 -0.001 0.000 0.205 282 K C 1.954 178.539 176.600 -0.024 0.000 1.049 282 K CA 1.274 57.548 56.287 -0.020 0.000 0.936 282 K CB 0.016 32.505 32.500 -0.018 0.000 0.722 282 K HN 0.190 nan 8.250 nan 0.000 0.446 283 M N -1.163 118.413 119.600 -0.041 0.000 2.492 283 M HA 0.047 4.526 4.480 -0.001 0.000 0.262 283 M C 0.987 177.276 176.300 -0.019 0.000 1.090 283 M CA 1.181 56.462 55.300 -0.031 0.000 1.110 283 M CB 0.753 33.326 32.600 -0.046 0.000 1.407 283 M HN 0.509 nan 8.290 nan 0.000 0.470 284 G N -0.189 108.598 108.800 -0.021 0.000 2.227 284 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.168 284 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.168 284 G C 0.051 174.942 174.900 -0.015 0.000 1.006 284 G CA -0.215 44.878 45.100 -0.012 0.000 0.684 284 G HN 0.596 nan 8.290 nan 0.000 0.489 285 A N 0.040 122.843 122.820 -0.028 0.000 2.271 285 A HA 0.814 5.134 4.320 -0.001 0.000 0.288 285 A C 0.432 178.002 177.584 -0.023 0.000 1.094 285 A CA 0.589 52.608 52.037 -0.030 0.000 0.828 285 A CB 0.695 19.666 19.000 -0.049 0.000 1.091 285 A HN 0.592 nan 8.150 nan 0.000 0.493 286 T N 2.027 116.568 114.554 -0.021 0.000 2.795 286 T HA 0.527 4.876 4.350 -0.001 0.000 0.282 286 T C -0.354 174.326 174.700 -0.032 0.000 0.980 286 T CA -0.064 62.029 62.100 -0.011 0.000 1.012 286 T CB 0.414 69.281 68.868 -0.001 0.000 0.936 286 T HN 0.364 nan 8.240 nan 0.000 0.457 287 I N 2.214 122.764 120.570 -0.034 0.000 2.474 287 I HA 0.425 4.594 4.170 -0.001 0.000 0.294 287 I C -0.211 175.850 176.117 -0.093 0.000 1.005 287 I CA -0.703 60.523 61.300 -0.123 0.000 1.113 287 I CB 1.562 39.450 38.000 -0.187 0.000 1.289 287 I HN 0.650 nan 8.210 nan 0.000 0.436 288 C N 4.982 124.197 119.300 -0.142 0.000 2.417 288 C HA 0.589 5.049 4.460 -0.001 0.000 0.324 288 C C -0.649 174.263 174.990 -0.129 0.000 1.240 288 C CA -0.663 58.360 59.018 0.008 0.000 1.632 288 C CB 1.084 28.916 27.740 0.154 0.000 2.241 288 C HN 0.732 nan 8.230 nan 0.000 0.499 289 W N 1.557 122.835 121.300 -0.037 0.000 2.606 289 W HA 0.637 5.296 4.660 -0.001 0.000 0.332 289 W C 0.409 176.632 176.519 -0.494 0.000 1.052 289 W CA -0.011 57.200 57.345 -0.224 0.000 1.223 289 W CB 1.624 31.004 29.460 -0.133 0.000 1.383 289 W HN 0.970 nan 8.180 nan 0.000 0.524 290 G N 0.653 109.051 108.800 -0.670 0.000 3.015 290 G HA2 0.212 4.172 3.960 -0.001 0.000 0.281 290 G HA3 0.212 4.172 3.960 -0.001 0.000 0.281 290 G C -0.647 174.063 174.900 -0.316 0.000 1.386 290 G CA -0.469 44.160 45.100 -0.785 0.000 0.959 290 G HN 0.379 nan 8.290 nan 0.000 0.522 291 D N -1.446 118.861 120.400 -0.155 0.000 2.149 291 D HA -0.013 4.626 4.640 -0.001 0.000 0.201 291 D C 0.771 177.054 176.300 -0.029 0.000 0.972 291 D CA 1.165 55.134 54.000 -0.053 0.000 0.835 291 D CB 0.406 41.200 40.800 -0.009 0.000 0.966 291 D HN 0.289 nan 8.370 nan 0.000 0.476 292 D N -1.609 118.788 120.400 -0.004 0.000 2.650 292 D HA 0.105 4.745 4.640 -0.001 0.000 0.265 292 D C -1.226 175.157 176.300 0.138 0.000 1.339 292 D CA -0.435 53.600 54.000 0.059 0.000 0.816 292 D CB 0.139 40.985 40.800 0.076 0.000 1.091 292 D HN 0.233 nan 8.370 nan 0.000 0.483 293 Y N -1.648 118.683 120.300 0.052 0.000 2.638 293 Y HA 0.625 5.175 4.550 -0.001 0.000 0.335 293 Y C -1.766 174.141 175.900 0.010 0.000 1.155 293 Y CA -1.472 56.641 58.100 0.023 0.000 1.046 293 Y CB 0.968 39.430 38.460 0.003 0.000 1.303 293 Y HN -0.217 nan 8.280 nan 0.000 0.460 294 I N 2.814 123.470 120.570 0.143 0.000 2.619 294 I HA 0.626 4.796 4.170 -0.001 0.000 0.292 294 I C -0.910 175.242 176.117 0.058 0.000 1.100 294 I CA -0.833 60.404 61.300 -0.105 0.000 1.043 294 I CB 2.527 40.336 38.000 -0.319 0.000 1.239 294 I HN 0.846 nan 8.210 nan 0.000 0.420 295 S N 4.188 119.890 115.700 0.004 0.000 2.570 295 S HA 0.716 5.186 4.470 -0.001 0.000 0.286 295 S C -1.109 173.448 174.600 -0.072 0.000 1.099 295 S CA -0.710 57.495 58.200 0.008 0.000 0.913 295 S CB 2.140 65.363 63.200 0.039 0.000 1.085 295 S HN 0.768 nan 8.310 nan 0.000 0.480 296 C N 2.123 121.399 119.300 -0.039 0.000 2.547 296 C HA 0.855 5.315 4.460 -0.001 0.000 0.313 296 C C -0.488 174.488 174.990 -0.023 0.000 1.191 296 C CA 0.121 59.113 59.018 -0.044 0.000 1.474 296 C CB 0.619 28.343 27.740 -0.027 0.000 2.081 296 C HN 1.005 nan 8.230 nan 0.000 0.476 297 T N 4.374 118.913 114.554 -0.025 0.000 2.824 297 T HA 0.430 4.779 4.350 -0.001 0.000 0.282 297 T C -0.461 174.228 174.700 -0.018 0.000 0.993 297 T CA -0.425 61.664 62.100 -0.018 0.000 0.967 297 T CB 1.196 70.056 68.868 -0.014 0.000 0.960 297 T HN 0.816 nan 8.240 nan 0.000 0.441 298 R N 1.863 122.352 120.500 -0.018 0.000 2.537 298 R HA 0.369 4.709 4.340 -0.001 0.000 0.281 298 R C 0.818 177.110 176.300 -0.013 0.000 0.988 298 R CA 0.839 56.928 56.100 -0.019 0.000 1.077 298 R CB -0.318 29.970 30.300 -0.021 0.000 0.932 298 R HN 0.842 nan 8.270 nan 0.000 0.409 299 G N 3.466 112.259 108.800 -0.011 0.000 2.581 299 G HA2 0.218 4.178 3.960 -0.001 0.000 0.194 299 G HA3 0.218 4.178 3.960 -0.001 0.000 0.194 299 G C -0.757 174.142 174.900 -0.002 0.000 1.814 299 G CA 0.241 45.337 45.100 -0.005 0.000 0.745 299 G HN 0.704 nan 8.290 nan 0.000 0.802 300 E N -1.297 118.903 120.200 -0.000 0.000 2.450 300 E HA 0.713 5.063 4.350 -0.001 0.000 0.272 300 E C -2.078 174.527 176.600 0.007 0.000 0.967 300 E CA -0.921 55.483 56.400 0.007 0.000 0.818 300 E CB 2.418 32.123 29.700 0.009 0.000 1.401 300 E HN 0.249 nan 8.360 nan 0.000 0.450 301 L N 1.820 123.055 121.223 0.020 0.000 2.504 301 L HA 0.447 4.787 4.340 -0.001 0.000 0.265 301 L C -1.767 175.121 176.870 0.030 0.000 0.975 301 L CA -0.319 54.537 54.840 0.025 0.000 0.864 301 L CB 1.438 43.526 42.059 0.049 0.000 1.212 301 L HN 0.508 nan 8.230 nan 0.000 0.416 302 N N 2.951 121.661 118.700 0.016 0.000 2.314 302 N HA 0.678 5.418 4.740 -0.001 0.000 0.304 302 N C -0.335 175.181 175.510 0.011 0.000 1.073 302 N CA -0.524 52.535 53.050 0.014 0.000 0.822 302 N CB 2.273 40.765 38.487 0.008 0.000 1.280 302 N HN 0.655 nan 8.380 nan 0.000 0.489 303 A N 1.271 124.099 122.820 0.013 0.000 2.507 303 A HA 0.390 4.710 4.320 -0.001 0.000 0.235 303 A C 0.261 177.847 177.584 0.004 0.000 1.070 303 A CA 0.197 52.240 52.037 0.011 0.000 0.768 303 A CB -0.373 18.634 19.000 0.011 0.000 1.011 303 A HN 0.666 nan 8.150 nan 0.000 0.502 304 I N -1.868 118.704 120.570 0.004 0.000 3.042 304 I HA 0.723 4.892 4.170 -0.001 0.000 0.310 304 I C -0.927 175.190 176.117 0.001 0.000 1.117 304 I CA -0.940 60.360 61.300 -0.000 0.000 1.003 304 I CB 2.353 40.350 38.000 -0.004 0.000 1.228 304 I HN 0.383 nan 8.210 nan 0.000 0.443 305 D N 4.398 124.796 120.400 -0.004 0.000 2.473 305 D HA 0.623 5.263 4.640 -0.001 0.000 0.253 305 D C -1.388 174.908 176.300 -0.008 0.000 1.233 305 D CA -0.114 53.879 54.000 -0.011 0.000 0.908 305 D CB 1.044 41.830 40.800 -0.023 0.000 1.170 305 D HN 0.694 nan 8.370 nan 0.000 0.558 306 M N 1.626 121.227 119.600 0.002 0.000 2.470 306 M HA 0.200 4.679 4.480 -0.001 0.000 0.285 306 M C -0.912 175.406 176.300 0.029 0.000 1.213 306 M CA -1.004 54.308 55.300 0.021 0.000 0.901 306 M CB 2.649 35.278 32.600 0.048 0.000 1.718 306 M HN 0.137 nan 8.290 nan 0.000 0.469 307 D N 3.080 123.507 120.400 0.046 0.000 2.343 307 D HA 0.187 4.827 4.640 -0.001 0.000 0.255 307 D C -0.213 176.178 176.300 0.153 0.000 1.187 307 D CA 0.156 54.192 54.000 0.060 0.000 0.875 307 D CB 0.943 41.770 40.800 0.046 0.000 1.136 307 D HN 0.488 nan 8.370 nan 0.000 0.469 308 M N 3.475 123.128 119.600 0.088 0.000 2.576 308 M HA 0.028 4.507 4.480 -0.001 0.000 0.322 308 M C 1.313 177.633 176.300 0.033 0.000 1.184 308 M CA -0.250 55.078 55.300 0.048 0.000 0.967 308 M CB -0.681 31.911 32.600 -0.012 0.000 1.372 308 M HN 0.466 nan 8.290 nan 0.000 0.509 309 N N 1.483 120.269 118.700 0.144 0.000 2.272 309 N HA -0.195 4.545 4.740 -0.001 0.000 0.185 309 N C 1.458 177.067 175.510 0.166 0.000 1.014 309 N CA 1.220 54.349 53.050 0.130 0.000 0.870 309 N CB 0.084 38.645 38.487 0.123 0.000 0.975 309 N HN 0.535 nan 8.380 nan 0.000 0.433 310 H N 0.128 119.238 119.070 0.068 0.000 2.547 310 H HA 0.036 4.592 4.556 -0.001 0.000 0.272 310 H C 1.073 176.458 175.328 0.095 0.000 0.989 310 H CA 0.416 56.503 56.048 0.065 0.000 1.214 310 H CB -0.223 29.555 29.762 0.028 0.000 1.389 310 H HN 0.344 nan 8.280 nan 0.000 0.577 311 I N -1.592 118.807 120.570 -0.285 0.000 2.908 311 I HA 0.286 4.456 4.170 -0.001 0.000 0.319 311 I C -2.307 173.837 176.117 0.045 0.000 1.471 311 I CA -2.012 59.214 61.300 -0.122 0.000 0.809 311 I CB 1.778 39.643 38.000 -0.225 0.000 2.186 311 I HN -0.264 nan 8.210 nan 0.000 0.607 312 P HA -0.153 nan 4.420 nan 0.000 0.216 312 P C 0.503 177.983 177.300 0.299 0.000 1.150 312 P CA 1.476 64.762 63.100 0.310 0.000 0.837 312 P CB 0.449 32.320 31.700 0.285 0.000 0.786 313 D N 0.328 120.803 120.400 0.124 0.000 2.106 313 D HA -0.016 4.624 4.640 -0.001 0.000 0.203 313 D C 2.263 178.505 176.300 -0.098 0.000 0.977 313 D CA 1.567 55.550 54.000 -0.028 0.000 0.844 313 D CB -1.088 39.706 40.800 -0.009 0.000 1.002 313 D HN 0.066 nan 8.370 nan 0.000 0.461 314 A N 0.976 123.727 122.820 -0.114 0.000 2.070 314 A HA -0.015 4.305 4.320 -0.001 0.000 0.220 314 A C 2.205 179.751 177.584 -0.065 0.000 1.159 314 A CA 1.852 53.703 52.037 -0.311 0.000 0.656 314 A CB -0.631 18.143 19.000 -0.376 0.000 0.800 314 A HN 0.217 nan 8.150 nan 0.000 0.453 315 A N -0.269 122.633 122.820 0.138 0.000 1.978 315 A HA -0.163 4.157 4.320 -0.001 0.000 0.220 315 A C 2.153 179.939 177.584 0.336 0.000 1.170 315 A CA 1.757 53.964 52.037 0.284 0.000 0.636 315 A CB -0.576 18.620 19.000 0.327 0.000 0.810 315 A HN 0.566 nan 8.150 nan 0.000 0.448 316 M N -0.758 118.957 119.600 0.192 0.000 2.202 316 M HA -0.138 4.342 4.480 -0.001 0.000 0.262 316 M C 2.078 178.389 176.300 0.017 0.000 1.063 316 M CA 1.904 57.199 55.300 -0.009 0.000 1.097 316 M CB -0.754 31.614 32.600 -0.386 0.000 1.382 316 M HN 0.421 nan 8.290 nan 0.000 0.413 317 T N 0.972 115.511 114.554 -0.025 0.000 2.833 317 T HA -0.066 4.284 4.350 -0.001 0.000 0.269 317 T C 1.753 176.547 174.700 0.157 0.000 1.054 317 T CA 0.945 63.039 62.100 -0.009 0.000 1.135 317 T CB -0.147 68.537 68.868 -0.307 0.000 0.869 317 T HN 0.236 nan 8.240 nan 0.000 0.466 318 I N 1.662 122.386 120.570 0.257 0.000 2.394 318 I HA -0.050 4.119 4.170 -0.001 0.000 0.251 318 I C 2.874 179.066 176.117 0.125 0.000 1.136 318 I CA 0.728 62.142 61.300 0.191 0.000 1.425 318 I CB -1.593 36.504 38.000 0.161 0.000 1.079 318 I HN 0.187 nan 8.210 nan 0.000 0.425 319 A N 1.223 124.125 122.820 0.137 0.000 1.933 319 A HA -0.210 4.110 4.320 -0.001 0.000 0.218 319 A C 2.408 179.986 177.584 -0.009 0.000 1.175 319 A CA 2.557 54.654 52.037 0.099 0.000 0.628 319 A CB -0.988 18.123 19.000 0.185 0.000 0.814 319 A HN 0.541 nan 8.150 nan 0.000 0.444 320 T N -3.004 111.498 114.554 -0.086 0.000 3.035 320 T HA 0.325 4.674 4.350 -0.001 0.000 0.259 320 T C 1.923 176.642 174.700 0.031 0.000 1.078 320 T CA 1.077 63.072 62.100 -0.175 0.000 1.132 320 T CB -0.325 68.297 68.868 -0.409 0.000 0.900 320 T HN 0.499 nan 8.240 nan 0.000 0.480 321 A N 1.883 124.772 122.820 0.115 0.000 1.972 321 A HA 0.341 4.661 4.320 -0.001 0.000 0.219 321 A C 2.725 180.430 177.584 0.201 0.000 1.169 321 A CA 1.569 53.744 52.037 0.230 0.000 0.635 321 A CB -1.291 17.804 19.000 0.158 0.000 0.810 321 A HN 0.719 nan 8.150 nan 0.000 0.446 322 A N -0.189 122.684 122.820 0.088 0.000 2.076 322 A HA -0.043 4.277 4.320 -0.001 0.000 0.220 322 A C 1.998 179.572 177.584 -0.016 0.000 1.160 322 A CA 1.344 53.408 52.037 0.044 0.000 0.653 322 A CB -0.601 18.416 19.000 0.029 0.000 0.801 322 A HN 0.511 nan 8.150 nan 0.000 0.455 323 L N -2.253 118.905 121.223 -0.108 0.000 2.265 323 L HA -0.127 4.213 4.340 -0.001 0.000 0.215 323 L C 1.552 178.149 176.870 -0.454 0.000 1.117 323 L CA 0.991 55.628 54.840 -0.339 0.000 0.782 323 L CB -0.352 41.361 42.059 -0.576 0.000 0.914 323 L HN 0.464 nan 8.230 nan 0.000 0.441 324 F N -0.540 119.411 119.950 0.002 0.000 2.695 324 F HA 0.326 4.853 4.527 -0.001 0.000 0.303 324 F C 1.254 177.058 175.800 0.006 0.000 1.091 324 F CA -0.432 57.573 58.000 0.007 0.000 1.300 324 F CB -0.070 38.935 39.000 0.009 0.000 1.071 324 F HN -0.117 nan 8.300 nan 0.000 0.578 325 A N 0.813 123.707 122.820 0.123 0.000 2.279 325 A HA 0.435 4.755 4.320 -0.001 0.000 0.303 325 A C -0.029 177.582 177.584 0.045 0.000 1.108 325 A CA -0.656 51.429 52.037 0.080 0.000 0.830 325 A CB 0.557 19.591 19.000 0.058 0.000 1.106 325 A HN 0.176 nan 8.150 nan 0.000 0.493 326 K N 0.864 121.286 120.400 0.037 0.000 2.285 326 K HA 0.494 4.814 4.320 -0.001 0.000 0.286 326 K C 0.360 176.970 176.600 0.017 0.000 1.072 326 K CA 0.839 57.141 56.287 0.025 0.000 0.913 326 K CB 0.011 32.525 32.500 0.024 0.000 1.067 326 K HN 1.748 nan 8.250 nan 0.000 0.479 327 G N 1.891 110.698 108.800 0.012 0.000 2.566 327 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.599 327 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.599 327 G C -0.946 173.959 174.900 0.008 0.000 1.292 327 G CA -0.910 44.196 45.100 0.009 0.000 0.922 327 G HN 0.500 nan 8.290 nan 0.000 0.514 328 T N 1.532 116.091 114.554 0.008 0.000 2.767 328 T HA 0.620 4.970 4.350 -0.001 0.000 0.288 328 T C 0.402 175.109 174.700 0.013 0.000 0.963 328 T CA 0.313 62.419 62.100 0.011 0.000 1.019 328 T CB 1.226 70.101 68.868 0.012 0.000 0.923 328 T HN 0.706 nan 8.240 nan 0.000 0.468 329 T N 3.644 118.209 114.554 0.018 0.000 2.837 329 T HA 0.507 4.856 4.350 -0.001 0.000 0.285 329 T C 0.051 174.768 174.700 0.029 0.000 0.984 329 T CA -0.412 61.701 62.100 0.021 0.000 1.049 329 T CB 0.914 69.799 68.868 0.027 0.000 0.947 329 T HN 0.502 nan 8.240 nan 0.000 0.472 330 T N 4.108 118.674 114.554 0.020 0.000 2.841 330 T HA 0.528 4.878 4.350 -0.001 0.000 0.285 330 T C -0.600 174.108 174.700 0.013 0.000 0.991 330 T CA -0.614 61.501 62.100 0.026 0.000 0.966 330 T CB 0.608 69.470 68.868 -0.009 0.000 0.962 330 T HN 0.333 nan 8.240 nan 0.000 0.438 331 L N 3.968 125.198 121.223 0.012 0.000 2.305 331 L HA 0.626 4.965 4.340 -0.001 0.000 0.284 331 L C 0.335 177.171 176.870 -0.057 0.000 1.013 331 L CA -0.857 53.960 54.840 -0.039 0.000 0.819 331 L CB 1.419 43.428 42.059 -0.084 0.000 1.227 331 L HN 0.383 nan 8.230 nan 0.000 0.417 332 R N 1.733 122.206 120.500 -0.046 0.000 2.873 332 R HA 0.397 4.737 4.340 -0.001 0.000 0.264 332 R C -0.014 176.260 176.300 -0.043 0.000 1.026 332 R CA -1.091 54.997 56.100 -0.020 0.000 1.002 332 R CB 0.930 31.212 30.300 -0.030 0.000 1.174 332 R HN 0.588 nan 8.270 nan 0.000 0.488 333 N N 1.189 119.883 118.700 -0.009 0.000 2.756 333 N HA -0.146 4.594 4.740 -0.001 0.000 0.248 333 N C -0.590 174.889 175.510 -0.051 0.000 1.062 333 N CA 0.698 53.751 53.050 0.004 0.000 0.696 333 N CB -0.854 37.649 38.487 0.027 0.000 0.946 333 N HN 0.636 nan 8.380 nan 0.000 0.548 334 I N -3.270 117.200 120.570 -0.168 0.000 3.326 334 I HA 0.220 4.390 4.170 -0.001 0.000 0.336 334 I C 1.419 177.372 176.117 -0.273 0.000 1.543 334 I CA -0.900 60.186 61.300 -0.357 0.000 1.013 334 I CB -0.244 37.167 38.000 -0.981 0.000 1.468 334 I HN 0.080 nan 8.210 nan 0.000 0.515 335 Y N 4.140 124.341 120.300 -0.165 0.000 2.139 335 Y HA -0.350 4.200 4.550 -0.000 0.000 0.282 335 Y C 2.352 178.232 175.900 -0.033 0.000 1.179 335 Y CA 2.558 60.574 58.100 -0.141 0.000 1.161 335 Y CB -0.198 38.206 38.460 -0.092 0.000 0.970 335 Y HN 0.646 nan 8.280 nan 0.000 0.511 336 N N -0.942 117.695 118.700 -0.105 0.000 2.609 336 N HA -0.206 4.533 4.740 -0.001 0.000 0.190 336 N C 1.143 176.641 175.510 -0.020 0.000 1.157 336 N CA 1.085 54.059 53.050 -0.125 0.000 0.918 336 N CB -1.325 37.202 38.487 0.067 0.000 0.978 336 N HN 0.432 nan 8.380 nan 0.000 0.448 337 W N 1.606 122.767 121.300 -0.233 0.000 2.350 337 W HA 0.038 4.698 4.660 -0.001 0.000 0.289 337 W C 1.961 178.346 176.519 -0.223 0.000 1.215 337 W CA 0.638 57.873 57.345 -0.183 0.000 1.236 337 W CB -0.322 29.047 29.460 -0.152 0.000 1.130 337 W HN 0.217 nan 8.180 nan 0.000 0.541 338 R N -0.153 120.268 120.500 -0.131 0.000 2.237 338 R HA -0.055 4.284 4.340 -0.001 0.000 0.219 338 R C 1.302 177.524 176.300 -0.129 0.000 1.080 338 R CA 1.459 57.446 56.100 -0.188 0.000 0.995 338 R CB -0.551 29.517 30.300 -0.387 0.000 0.875 338 R HN 0.203 nan 8.270 nan 0.000 0.462 339 V N -2.451 117.391 119.914 -0.119 0.000 3.006 339 V HA 0.294 4.413 4.120 -0.001 0.000 0.357 339 V C 0.382 176.466 176.094 -0.016 0.000 1.377 339 V CA -0.396 61.885 62.300 -0.032 0.000 1.198 339 V CB -0.109 31.722 31.823 0.014 0.000 1.216 339 V HN -0.013 nan 8.190 nan 0.000 0.520 340 K N 0.303 120.681 120.400 -0.037 0.000 2.385 340 K HA 0.474 4.794 4.320 -0.001 0.000 0.274 340 K C 1.086 177.670 176.600 -0.026 0.000 0.981 340 K CA -0.229 56.032 56.287 -0.042 0.000 1.400 340 K CB 0.445 32.900 32.500 -0.075 0.000 2.019 340 K HN 0.018 nan 8.250 nan 0.000 0.855 341 E N 0.339 120.526 120.200 -0.022 0.000 2.187 341 E HA -0.150 4.199 4.350 -0.001 0.000 0.199 341 E C 0.508 177.118 176.600 0.018 0.000 1.004 341 E CA 1.341 57.751 56.400 0.016 0.000 0.813 341 E CB 0.088 29.831 29.700 0.072 0.000 0.736 341 E HN 0.320 nan 8.360 nan 0.000 0.468 342 T N -1.721 112.824 114.554 -0.015 0.000 2.731 342 T HA 0.109 4.458 4.350 -0.001 0.000 0.300 342 T C -1.946 172.731 174.700 -0.039 0.000 1.283 342 T CA -0.881 61.221 62.100 0.005 0.000 1.005 342 T CB 1.264 70.153 68.868 0.035 0.000 1.420 342 T HN -0.108 nan 8.240 nan 0.000 0.503 343 D N 1.112 121.503 120.400 -0.015 0.000 2.374 343 D HA 0.239 4.879 4.640 -0.001 0.000 0.240 343 D C 1.118 177.395 176.300 -0.039 0.000 1.229 343 D CA -0.059 53.934 54.000 -0.011 0.000 0.895 343 D CB 0.655 41.471 40.800 0.026 0.000 1.046 343 D HN 0.419 nan 8.370 nan 0.000 0.498 344 R N 2.703 123.161 120.500 -0.069 0.000 2.189 344 R HA 0.017 4.356 4.340 -0.001 0.000 0.218 344 R C 1.957 178.307 176.300 0.082 0.000 1.074 344 R CA 0.556 56.559 56.100 -0.163 0.000 0.991 344 R CB 0.233 30.242 30.300 -0.486 0.000 0.883 344 R HN 0.470 nan 8.270 nan 0.000 0.457 345 L N -0.599 120.783 121.223 0.264 0.000 2.072 345 L HA -0.139 4.201 4.340 -0.001 0.000 0.205 345 L C 2.157 179.093 176.870 0.110 0.000 1.079 345 L CA 1.037 56.034 54.840 0.261 0.000 0.752 345 L CB -0.325 41.800 42.059 0.110 0.000 0.906 345 L HN 0.132 nan 8.230 nan 0.000 0.436 346 F N 0.717 120.641 119.950 -0.044 0.000 2.102 346 F HA -0.203 4.324 4.527 -0.001 0.000 0.298 346 F C 2.391 178.102 175.800 -0.148 0.000 1.105 346 F CA 1.304 59.262 58.000 -0.070 0.000 1.239 346 F CB -0.347 38.617 39.000 -0.060 0.000 0.991 346 F HN -0.008 nan 8.300 nan 0.000 0.474 347 A N 0.285 122.882 122.820 -0.372 0.000 1.877 347 A HA -0.202 4.117 4.320 -0.001 0.000 0.216 347 A C 2.208 179.508 177.584 -0.474 0.000 1.186 347 A CA 1.970 53.514 52.037 -0.822 0.000 0.620 347 A CB -0.969 17.261 19.000 -1.284 0.000 0.822 347 A HN 0.517 nan 8.150 nan 0.000 0.443 348 M N 0.331 119.800 119.600 -0.220 0.000 2.086 348 M HA -0.031 4.449 4.480 -0.001 0.000 0.261 348 M C 2.143 178.453 176.300 0.017 0.000 1.067 348 M CA 1.816 57.124 55.300 0.012 0.000 1.116 348 M CB -0.677 31.997 32.600 0.124 0.000 1.348 348 M HN 0.369 nan 8.290 nan 0.000 0.407 349 A N -1.219 121.563 122.820 -0.062 0.000 1.902 349 A HA -0.153 4.167 4.320 -0.001 0.000 0.217 349 A C 2.207 179.703 177.584 -0.147 0.000 1.181 349 A CA 2.332 54.325 52.037 -0.073 0.000 0.623 349 A CB -1.428 17.521 19.000 -0.085 0.000 0.818 349 A HN 0.577 nan 8.150 nan 0.000 0.443 350 T N 0.074 114.431 114.554 -0.328 0.000 2.708 350 T HA -0.110 4.240 4.350 -0.001 0.000 0.266 350 T C 1.794 176.374 174.700 -0.200 0.000 1.037 350 T CA 1.556 63.457 62.100 -0.331 0.000 1.146 350 T CB -0.222 68.309 68.868 -0.561 0.000 0.865 350 T HN 0.485 nan 8.240 nan 0.000 0.435 351 E N 1.073 121.138 120.200 -0.224 0.000 2.152 351 E HA 0.087 4.436 4.350 -0.001 0.000 0.192 351 E C 2.332 178.886 176.600 -0.076 0.000 0.983 351 E CA 0.425 56.633 56.400 -0.319 0.000 0.818 351 E CB -0.476 28.717 29.700 -0.845 0.000 0.758 351 E HN 0.447 nan 8.360 nan 0.000 0.467 352 L N 0.466 121.782 121.223 0.155 0.000 2.083 352 L HA -0.146 4.193 4.340 -0.001 0.000 0.209 352 L C 2.571 179.484 176.870 0.073 0.000 1.083 352 L CA 1.139 56.115 54.840 0.226 0.000 0.752 352 L CB -0.255 41.900 42.059 0.160 0.000 0.899 352 L HN 0.043 nan 8.230 nan 0.000 0.433 353 R N -0.007 120.499 120.500 0.010 0.000 2.148 353 R HA -0.148 4.192 4.340 -0.001 0.000 0.227 353 R C 2.191 178.480 176.300 -0.018 0.000 1.103 353 R CA 0.976 57.069 56.100 -0.010 0.000 0.983 353 R CB -0.139 30.144 30.300 -0.029 0.000 0.874 353 R HN 0.325 nan 8.270 nan 0.000 0.451 354 K N 0.389 120.767 120.400 -0.038 0.000 2.209 354 K HA -0.077 4.243 4.320 -0.001 0.000 0.204 354 K C 1.714 178.289 176.600 -0.040 0.000 1.048 354 K CA 1.324 57.578 56.287 -0.055 0.000 0.940 354 K CB 0.169 32.603 32.500 -0.109 0.000 0.729 354 K HN 0.161 nan 8.250 nan 0.000 0.451 355 V N -3.783 116.125 119.914 -0.009 0.000 3.596 355 V HA 0.390 4.510 4.120 -0.001 0.000 0.289 355 V C 0.924 177.012 176.094 -0.009 0.000 1.336 355 V CA 0.485 62.782 62.300 -0.005 0.000 1.137 355 V CB 0.035 31.876 31.823 0.030 0.000 0.966 355 V HN 0.369 nan 8.190 nan 0.000 0.428 356 G N -0.409 108.387 108.800 -0.008 0.000 2.231 356 G HA2 -0.004 3.956 3.960 -0.001 0.000 0.206 356 G HA3 -0.004 3.956 3.960 -0.001 0.000 0.206 356 G C 0.444 175.335 174.900 -0.015 0.000 0.996 356 G CA 0.017 45.110 45.100 -0.011 0.000 0.645 356 G HN 1.472 nan 8.290 nan 0.000 0.498 357 A N 0.308 123.119 122.820 -0.015 0.000 2.386 357 A HA 0.601 4.920 4.320 -0.001 0.000 0.248 357 A C 0.396 177.978 177.584 -0.003 0.000 1.082 357 A CA 0.628 52.657 52.037 -0.014 0.000 0.789 357 A CB 0.467 19.460 19.000 -0.012 0.000 1.025 357 A HN 0.537 nan 8.150 nan 0.000 0.490 358 E N 1.168 121.368 120.200 0.000 0.000 2.174 358 E HA 0.522 4.871 4.350 -0.001 0.000 0.282 358 E C -1.499 175.109 176.600 0.014 0.000 0.992 358 E CA -0.355 56.050 56.400 0.008 0.000 0.803 358 E CB 0.935 30.641 29.700 0.010 0.000 1.090 358 E HN 0.373 nan 8.360 nan 0.000 0.396 359 V N 4.330 124.254 119.914 0.016 0.000 2.638 359 V HA 0.250 4.370 4.120 -0.001 0.000 0.306 359 V C -0.510 175.598 176.094 0.023 0.000 1.052 359 V CA -0.874 61.439 62.300 0.022 0.000 0.885 359 V CB 1.798 33.629 31.823 0.014 0.000 0.999 359 V HN 0.735 nan 8.190 nan 0.000 0.424 360 E N 3.380 123.604 120.200 0.039 0.000 2.109 360 E HA 0.281 4.630 4.350 -0.001 0.000 0.278 360 E C -0.458 176.127 176.600 -0.026 0.000 0.954 360 E CA -0.414 56.008 56.400 0.037 0.000 0.779 360 E CB 1.135 30.899 29.700 0.108 0.000 1.093 360 E HN 0.791 nan 8.360 nan 0.000 0.401 361 E N 4.189 124.354 120.200 -0.060 0.000 1.963 361 E HA 0.242 4.591 4.350 -0.001 0.000 0.274 361 E C -0.249 176.196 176.600 -0.258 0.000 1.061 361 E CA -0.451 55.878 56.400 -0.118 0.000 0.847 361 E CB 0.432 30.114 29.700 -0.029 0.000 1.083 361 E HN 0.664 nan 8.360 nan 0.000 0.402 362 G N 2.047 110.450 108.800 -0.662 0.000 2.599 362 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.264 362 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.264 362 G C 0.519 175.109 174.900 -0.518 0.000 1.200 362 G CA -0.273 44.153 45.100 -1.124 0.000 0.896 362 G HN 0.771 nan 8.290 nan 0.000 0.536 363 H N -0.337 118.552 119.070 -0.301 0.000 2.387 363 H HA -0.109 4.446 4.556 -0.001 0.000 0.299 363 H C 1.102 176.447 175.328 0.028 0.000 1.090 363 H CA 2.259 58.279 56.048 -0.046 0.000 1.332 363 H CB 0.395 30.192 29.762 0.058 0.000 1.386 363 H HN 0.516 nan 8.280 nan 0.000 0.516 364 D N -1.922 118.414 120.400 -0.107 0.000 2.692 364 D HA 0.084 4.724 4.640 -0.001 0.000 0.290 364 D C -0.612 175.680 176.300 -0.014 0.000 1.455 364 D CA -0.494 53.471 54.000 -0.058 0.000 0.796 364 D CB -0.992 39.873 40.800 0.108 0.000 1.131 364 D HN 0.500 nan 8.370 nan 0.000 0.467 365 Y N -1.781 118.442 120.300 -0.130 0.000 2.689 365 Y HA 0.695 5.245 4.550 -0.001 0.000 0.333 365 Y C -1.981 173.837 175.900 -0.136 0.000 1.208 365 Y CA -1.768 56.232 58.100 -0.167 0.000 1.055 365 Y CB 1.347 39.754 38.460 -0.089 0.000 1.304 365 Y HN -0.071 nan 8.280 nan 0.000 0.455 366 I N 2.014 122.604 120.570 0.034 0.000 2.607 366 I HA 0.560 4.730 4.170 -0.001 0.000 0.290 366 I C -1.517 174.686 176.117 0.144 0.000 1.129 366 I CA -0.996 60.310 61.300 0.010 0.000 1.042 366 I CB 1.855 39.838 38.000 -0.027 0.000 1.242 366 I HN 0.885 nan 8.210 nan 0.000 0.421 367 R N 7.900 128.491 120.500 0.151 0.000 2.437 367 R HA 0.691 5.030 4.340 -0.001 0.000 0.310 367 R C -1.817 174.527 176.300 0.074 0.000 0.955 367 R CA -0.565 55.611 56.100 0.127 0.000 0.851 367 R CB 1.363 31.761 30.300 0.163 0.000 1.161 367 R HN 0.616 nan 8.270 nan 0.000 0.446 368 I N 3.182 123.784 120.570 0.053 0.000 2.418 368 I HA 0.257 4.427 4.170 -0.001 0.000 0.287 368 I C -0.494 175.634 176.117 0.019 0.000 1.008 368 I CA -0.594 60.726 61.300 0.034 0.000 1.104 368 I CB 2.438 40.457 38.000 0.032 0.000 1.264 368 I HN 0.490 nan 8.210 nan 0.000 0.438 369 T N 7.398 121.959 114.554 0.012 0.000 2.788 369 T HA 0.351 4.701 4.350 -0.001 0.000 0.296 369 T C -2.429 172.263 174.700 -0.013 0.000 1.009 369 T CA -1.309 60.793 62.100 0.003 0.000 0.949 369 T CB 1.070 69.943 68.868 0.008 0.000 0.946 369 T HN 0.329 nan 8.240 nan 0.000 0.453 370 P HA 0.245 nan 4.420 nan 0.000 0.272 370 P C -2.554 174.719 177.300 -0.044 0.000 1.223 370 P CA -1.268 61.799 63.100 -0.056 0.000 0.784 370 P CB -0.001 31.652 31.700 -0.077 0.000 0.923 371 P HA 0.200 nan 4.420 nan 0.000 0.278 371 P C 0.774 178.054 177.300 -0.033 0.000 1.266 371 P CA -0.221 62.858 63.100 -0.035 0.000 0.807 371 P CB 1.084 32.763 31.700 -0.035 0.000 1.094 372 E N 0.311 120.503 120.200 -0.014 0.000 2.110 372 E HA -0.123 4.226 4.350 -0.001 0.000 0.193 372 E C 0.648 177.245 176.600 -0.005 0.000 0.988 372 E CA 1.559 57.956 56.400 -0.005 0.000 0.804 372 E CB -0.080 29.622 29.700 0.004 0.000 0.745 372 E HN 0.589 nan 8.360 nan 0.000 0.458 373 K N -0.608 119.788 120.400 -0.008 0.000 2.527 373 K HA 0.432 4.752 4.320 -0.001 0.000 0.260 373 K C -0.740 175.852 176.600 -0.012 0.000 0.937 373 K CA -0.640 55.645 56.287 -0.002 0.000 0.826 373 K CB 1.388 33.900 32.500 0.020 0.000 1.359 373 K HN -0.199 nan 8.250 nan 0.000 0.434 374 L N 2.454 123.666 121.223 -0.019 0.000 2.453 374 L HA 0.313 4.653 4.340 -0.001 0.000 0.261 374 L C 0.320 177.208 176.870 0.030 0.000 1.179 374 L CA -0.653 54.175 54.840 -0.018 0.000 0.813 374 L CB 0.478 42.514 42.059 -0.039 0.000 1.110 374 L HN 0.850 nan 8.230 nan 0.000 0.466 375 N N 0.519 119.241 118.700 0.037 0.000 2.381 375 N HA 0.294 5.033 4.740 -0.001 0.000 0.294 375 N C -0.963 174.608 175.510 0.103 0.000 1.216 375 N CA -0.735 52.364 53.050 0.080 0.000 0.803 375 N CB 1.915 40.443 38.487 0.069 0.000 1.372 375 N HN 0.335 nan 8.380 nan 0.000 0.500 376 F N 0.850 120.815 119.950 0.024 0.000 2.529 376 F HA 0.442 4.969 4.527 -0.001 0.000 0.365 376 F C -0.210 175.601 175.800 0.020 0.000 1.102 376 F CA -0.022 57.994 58.000 0.027 0.000 1.271 376 F CB 0.341 39.352 39.000 0.018 0.000 1.120 376 F HN 0.728 nan 8.300 nan 0.000 0.579 377 A N 4.915 127.100 122.820 -1.059 0.000 2.572 377 A HA 0.448 4.767 4.320 -0.001 0.000 0.295 377 A C -1.288 175.676 177.584 -1.034 0.000 1.072 377 A CA -0.847 50.712 52.037 -0.796 0.000 0.691 377 A CB 1.213 20.011 19.000 -0.338 0.000 1.291 377 A HN 0.771 nan 8.150 nan 0.000 0.404 378 E N 1.912 121.783 120.200 -0.548 0.000 2.081 378 E HA 0.434 4.783 4.350 -0.001 0.000 0.281 378 E C -0.915 175.537 176.600 -0.247 0.000 0.986 378 E CA -0.536 55.683 56.400 -0.302 0.000 0.796 378 E CB 0.451 30.098 29.700 -0.087 0.000 1.085 378 E HN 0.475 nan 8.360 nan 0.000 0.398 379 I N 3.712 124.139 120.570 -0.239 0.000 2.325 379 I HA 0.234 4.403 4.170 -0.001 0.000 0.291 379 I C 0.585 176.576 176.117 -0.211 0.000 1.019 379 I CA -0.446 60.690 61.300 -0.274 0.000 1.302 379 I CB 0.564 38.377 38.000 -0.311 0.000 1.401 379 I HN 0.538 nan 8.210 nan 0.000 0.485 380 A N 4.751 127.438 122.820 -0.222 0.000 2.388 380 A HA 0.475 4.794 4.320 -0.001 0.000 0.257 380 A C 0.987 178.498 177.584 -0.122 0.000 1.095 380 A CA -0.167 51.723 52.037 -0.246 0.000 0.791 380 A CB 0.163 18.908 19.000 -0.425 0.000 1.029 380 A HN 0.845 nan 8.150 nan 0.000 0.489 381 T N -1.931 112.569 114.554 -0.089 0.000 3.044 381 T HA 0.222 4.571 4.350 -0.001 0.000 0.260 381 T C 0.126 174.979 174.700 0.256 0.000 1.019 381 T CA 0.438 62.606 62.100 0.113 0.000 0.921 381 T CB -0.665 68.233 68.868 0.050 0.000 1.053 381 T HN 0.824 nan 8.240 nan 0.000 0.533 382 Y N 2.365 122.643 120.300 -0.036 0.000 3.721 382 Y HA -0.277 4.273 4.550 -0.001 0.000 0.218 382 Y C 0.577 176.478 175.900 0.002 0.000 1.188 382 Y CA 0.357 58.450 58.100 -0.011 0.000 1.607 382 Y CB -3.058 35.397 38.460 -0.008 0.000 1.496 382 Y HN 0.360 nan 8.280 nan 0.000 0.626 383 N N -0.314 118.447 118.700 0.102 0.000 2.708 383 N HA -0.215 4.525 4.740 -0.001 0.000 0.249 383 N C -0.694 174.885 175.510 0.115 0.000 1.097 383 N CA 1.605 54.707 53.050 0.087 0.000 0.710 383 N CB -0.564 37.965 38.487 0.070 0.000 1.032 383 N HN 0.683 nan 8.380 nan 0.000 0.551 384 D N -0.629 119.851 120.400 0.133 0.000 2.454 384 D HA 0.165 4.805 4.640 -0.001 0.000 0.247 384 D C 1.416 177.788 176.300 0.119 0.000 1.129 384 D CA -0.588 53.499 54.000 0.145 0.000 0.877 384 D CB 0.329 41.165 40.800 0.061 0.000 1.082 384 D HN 0.421 nan 8.370 nan 0.000 0.537 385 H N 2.680 121.724 119.070 -0.044 0.000 2.362 385 H HA -0.179 4.377 4.556 -0.001 0.000 0.294 385 H C 1.282 176.499 175.328 -0.186 0.000 1.113 385 H CA 1.271 57.263 56.048 -0.095 0.000 1.253 385 H CB 0.123 29.843 29.762 -0.070 0.000 1.363 385 H HN 0.227 nan 8.280 nan 0.000 0.494 386 R N -0.178 119.956 120.500 -0.611 0.000 2.148 386 R HA -0.020 4.319 4.340 -0.001 0.000 0.223 386 R C 2.164 178.295 176.300 -0.280 0.000 1.088 386 R CA 1.094 56.889 56.100 -0.508 0.000 0.985 386 R CB -0.010 29.976 30.300 -0.525 0.000 0.880 386 R HN 0.399 nan 8.270 nan 0.000 0.451 387 M N 0.207 119.715 119.600 -0.153 0.000 2.132 387 M HA -0.055 4.424 4.480 -0.001 0.000 0.263 387 M C 2.424 178.777 176.300 0.088 0.000 1.065 387 M CA 1.421 56.737 55.300 0.027 0.000 1.122 387 M CB -0.895 31.731 32.600 0.043 0.000 1.365 387 M HN 0.143 nan 8.290 nan 0.000 0.411 388 A N 0.154 122.963 122.820 -0.020 0.000 1.877 388 A HA -0.159 4.161 4.320 -0.001 0.000 0.216 388 A C 2.230 179.709 177.584 -0.176 0.000 1.186 388 A CA 1.641 53.689 52.037 0.018 0.000 0.620 388 A CB -0.555 18.485 19.000 0.067 0.000 0.822 388 A HN 0.486 nan 8.150 nan 0.000 0.443 389 M N -1.200 118.022 119.600 -0.630 0.000 2.132 389 M HA -0.153 4.326 4.480 -0.001 0.000 0.263 389 M C 2.393 178.269 176.300 -0.707 0.000 1.065 389 M CA 1.191 55.723 55.300 -1.279 0.000 1.122 389 M CB -0.668 30.495 32.600 -2.394 0.000 1.365 389 M HN 0.537 nan 8.290 nan 0.000 0.411 390 C N -0.152 118.936 119.300 -0.353 0.000 2.429 390 C HA -0.143 4.316 4.460 -0.001 0.000 0.277 390 C C 2.442 177.286 174.990 -0.242 0.000 1.262 390 C CA 0.782 59.706 59.018 -0.156 0.000 1.733 390 C CB -1.060 26.581 27.740 -0.164 0.000 2.010 390 C HN 0.442 nan 8.230 nan 0.000 0.483 391 F N 1.848 121.769 119.950 -0.047 0.000 2.661 391 F HA -0.055 4.471 4.527 -0.001 0.000 0.298 391 F C 2.578 178.421 175.800 0.072 0.000 1.137 391 F CA 1.128 59.137 58.000 0.015 0.000 1.454 391 F CB -0.375 38.619 39.000 -0.009 0.000 1.103 391 F HN 0.270 nan 8.300 nan 0.000 0.577 392 S N 0.234 116.041 115.700 0.178 0.000 2.419 392 S HA -0.182 4.288 4.470 -0.001 0.000 0.233 392 S C 1.875 176.591 174.600 0.195 0.000 1.016 392 S CA 0.949 59.307 58.200 0.263 0.000 0.974 392 S CB -0.866 62.554 63.200 0.367 0.000 0.786 392 S HN 0.473 nan 8.310 nan 0.000 0.492 393 L N 1.117 122.417 121.223 0.130 0.000 2.362 393 L HA 0.004 4.344 4.340 -0.001 0.000 0.219 393 L C 2.415 179.436 176.870 0.253 0.000 1.134 393 L CA 0.428 55.355 54.840 0.144 0.000 0.807 393 L CB -0.727 41.407 42.059 0.125 0.000 0.927 393 L HN 0.247 nan 8.230 nan 0.000 0.447 394 V N 0.570 120.627 119.914 0.237 0.000 2.469 394 V HA -0.285 3.834 4.120 -0.001 0.000 0.251 394 V C 2.638 178.910 176.094 0.298 0.000 1.064 394 V CA 1.729 64.201 62.300 0.286 0.000 1.066 394 V CB -0.775 31.159 31.823 0.186 0.000 0.667 394 V HN 0.528 nan 8.190 nan 0.000 0.461 395 A N -0.549 122.400 122.820 0.215 0.000 2.216 395 A HA 0.062 4.381 4.320 -0.001 0.000 0.214 395 A C 1.544 179.209 177.584 0.136 0.000 1.160 395 A CA 0.645 52.784 52.037 0.170 0.000 0.725 395 A CB -0.499 18.588 19.000 0.145 0.000 0.784 395 A HN 0.554 nan 8.150 nan 0.000 0.472 396 L N 1.370 122.659 121.223 0.110 0.000 2.955 396 L HA 0.159 4.499 4.340 -0.001 0.000 0.238 396 L C 0.671 177.549 176.870 0.014 0.000 1.359 396 L CA -0.050 54.757 54.840 -0.054 0.000 1.214 396 L CB -0.757 41.116 42.059 -0.310 0.000 1.600 396 L HN 0.522 nan 8.230 nan 0.000 0.442 397 S N -3.645 112.167 115.700 0.186 0.000 2.880 397 S HA 0.344 4.814 4.470 -0.001 0.000 0.308 397 S C 0.107 174.801 174.600 0.157 0.000 1.195 397 S CA -0.805 57.555 58.200 0.266 0.000 0.866 397 S CB 1.385 64.817 63.200 0.386 0.000 1.254 397 S HN 0.055 nan 8.310 nan 0.000 0.571 398 D N 0.978 121.463 120.400 0.141 0.000 2.340 398 D HA 0.206 4.846 4.640 -0.001 0.000 0.220 398 D C 0.266 176.628 176.300 0.104 0.000 1.039 398 D CA 0.756 54.817 54.000 0.101 0.000 0.866 398 D CB 0.423 41.272 40.800 0.082 0.000 0.913 398 D HN 0.497 nan 8.370 nan 0.000 0.523 399 T N 1.284 115.916 114.554 0.131 0.000 2.856 399 T HA 0.403 4.752 4.350 -0.001 0.000 0.283 399 T C -2.705 172.102 174.700 0.177 0.000 1.008 399 T CA -2.262 59.928 62.100 0.149 0.000 0.997 399 T CB 2.210 71.176 68.868 0.163 0.000 0.992 399 T HN -0.225 nan 8.240 nan 0.000 0.454 400 P HA 0.445 nan 4.420 nan 0.000 0.277 400 P C -1.149 176.335 177.300 0.307 0.000 1.271 400 P CA -0.504 62.734 63.100 0.231 0.000 0.795 400 P CB 0.952 32.777 31.700 0.209 0.000 1.101 401 V N -0.512 119.537 119.914 0.225 0.000 2.888 401 V HA 0.429 4.549 4.120 -0.001 0.000 0.309 401 V C -0.997 175.149 176.094 0.087 0.000 1.114 401 V CA -0.347 61.991 62.300 0.064 0.000 0.940 401 V CB 2.405 34.263 31.823 0.058 0.000 1.021 401 V HN 0.545 nan 8.190 nan 0.000 0.426 402 T N 7.420 121.945 114.554 -0.048 0.000 2.771 402 T HA 0.596 4.945 4.350 -0.001 0.000 0.281 402 T C -0.548 174.118 174.700 -0.057 0.000 0.982 402 T CA -0.241 61.876 62.100 0.028 0.000 0.978 402 T CB 0.805 69.772 68.868 0.165 0.000 0.930 402 T HN 0.454 nan 8.240 nan 0.000 0.447 403 I N 4.544 125.086 120.570 -0.047 0.000 2.330 403 I HA 0.334 4.504 4.170 -0.001 0.000 0.289 403 I C 0.240 176.323 176.117 -0.057 0.000 1.001 403 I CA -0.674 60.602 61.300 -0.040 0.000 1.193 403 I CB 1.084 39.084 38.000 -0.001 0.000 1.345 403 I HN 0.480 nan 8.210 nan 0.000 0.461 404 L N 5.191 126.379 121.223 -0.057 0.000 2.417 404 L HA 0.158 4.498 4.340 -0.001 0.000 0.268 404 L C 0.671 177.522 176.870 -0.031 0.000 1.158 404 L CA -0.099 54.708 54.840 -0.054 0.000 0.819 404 L CB 0.101 42.114 42.059 -0.077 0.000 1.112 404 L HN 0.622 nan 8.230 nan 0.000 0.458 405 D N 1.710 122.095 120.400 -0.025 0.000 2.735 405 D HA -0.132 4.508 4.640 -0.001 0.000 0.235 405 D C -1.374 174.948 176.300 0.037 0.000 1.175 405 D CA 0.278 54.279 54.000 0.001 0.000 0.683 405 D CB 0.037 40.837 40.800 0.001 0.000 1.008 405 D HN 0.360 nan 8.370 nan 0.000 0.416 406 P HA -0.191 nan 4.420 nan 0.000 0.221 406 P C 1.020 178.446 177.300 0.210 0.000 1.145 406 P CA 0.986 64.155 63.100 0.116 0.000 0.795 406 P CB 0.093 31.714 31.700 -0.132 0.000 0.775 407 K N -0.127 120.344 120.400 0.118 0.000 2.504 407 K HA -0.046 4.273 4.320 -0.001 0.000 0.195 407 K C 2.092 178.756 176.600 0.107 0.000 1.036 407 K CA 1.015 57.373 56.287 0.118 0.000 0.984 407 K CB -0.704 31.841 32.500 0.076 0.000 0.788 407 K HN 0.341 nan 8.250 nan 0.000 0.488 408 C N 0.168 119.530 119.300 0.103 0.000 2.449 408 C HA -0.036 4.423 4.460 -0.001 0.000 0.283 408 C C 2.632 177.684 174.990 0.104 0.000 1.453 408 C CA 0.725 59.797 59.018 0.091 0.000 1.779 408 C CB -1.607 26.185 27.740 0.087 0.000 1.779 408 C HN 0.453 nan 8.230 nan 0.000 0.546 409 T N -0.688 113.932 114.554 0.110 0.000 3.007 409 T HA 0.034 4.384 4.350 -0.001 0.000 0.270 409 T C 1.907 176.673 174.700 0.110 0.000 1.107 409 T CA 1.395 63.539 62.100 0.073 0.000 1.118 409 T CB -0.606 68.231 68.868 -0.053 0.000 0.889 409 T HN 0.789 nan 8.240 nan 0.000 0.506 410 A N 1.680 124.559 122.820 0.098 0.000 2.186 410 A HA -0.043 4.276 4.320 -0.001 0.000 0.219 410 A C 2.321 179.918 177.584 0.023 0.000 1.159 410 A CA 1.693 53.780 52.037 0.083 0.000 0.680 410 A CB -0.799 18.242 19.000 0.068 0.000 0.787 410 A HN 0.636 nan 8.150 nan 0.000 0.467 411 K N -0.439 119.934 120.400 -0.046 0.000 2.074 411 K HA -0.182 4.138 4.320 -0.001 0.000 0.209 411 K C 1.572 178.066 176.600 -0.177 0.000 1.048 411 K CA 2.040 58.211 56.287 -0.193 0.000 0.926 411 K CB -0.082 32.120 32.500 -0.497 0.000 0.713 411 K HN 0.635 nan 8.250 nan 0.000 0.444 412 T N -3.879 110.636 114.554 -0.065 0.000 3.041 412 T HA 0.171 4.521 4.350 -0.001 0.000 0.276 412 T C -0.135 174.676 174.700 0.186 0.000 0.948 412 T CA -0.618 61.515 62.100 0.056 0.000 0.885 412 T CB 0.448 69.405 68.868 0.148 0.000 1.175 412 T HN 0.049 nan 8.240 nan 0.000 0.529 413 F N 1.903 121.884 119.950 0.052 0.000 3.020 413 F HA 0.463 4.990 4.527 -0.001 0.000 0.389 413 F C -2.813 173.041 175.800 0.089 0.000 1.265 413 F CA -2.961 55.092 58.000 0.088 0.000 1.195 413 F CB 1.706 40.774 39.000 0.113 0.000 2.250 413 F HN -0.192 nan 8.300 nan 0.000 0.627 414 P HA -0.128 nan 4.420 nan 0.000 0.216 414 P C 0.644 178.069 177.300 0.208 0.000 1.150 414 P CA 1.602 64.833 63.100 0.219 0.000 0.843 414 P CB 0.362 32.157 31.700 0.157 0.000 0.787 415 D N -2.782 117.795 120.400 0.295 0.000 2.336 415 D HA -0.015 4.624 4.640 -0.001 0.000 0.228 415 D C 1.312 177.560 176.300 -0.087 0.000 1.120 415 D CA -0.164 53.939 54.000 0.171 0.000 0.839 415 D CB -0.807 40.130 40.800 0.228 0.000 0.932 415 D HN 0.168 nan 8.370 nan 0.000 0.509 416 Y N 0.772 120.723 120.300 -0.583 0.000 2.069 416 Y HA -0.340 4.210 4.550 -0.001 0.000 0.278 416 Y C 1.559 177.068 175.900 -0.651 0.000 1.175 416 Y CA 1.774 59.156 58.100 -1.196 0.000 1.134 416 Y CB -0.424 37.234 38.460 -1.337 0.000 0.965 416 Y HN -0.075 nan 8.280 nan 0.000 0.498 417 F N 0.402 120.156 119.950 -0.327 0.000 2.234 417 F HA -0.121 4.406 4.527 -0.001 0.000 0.299 417 F C 2.602 178.256 175.800 -0.243 0.000 1.087 417 F CA 1.653 59.475 58.000 -0.295 0.000 1.340 417 F CB -0.638 38.320 39.000 -0.069 0.000 1.031 417 F HN 0.151 nan 8.300 nan 0.000 0.500 418 E N 0.387 120.569 120.200 -0.029 0.000 2.106 418 E HA -0.178 4.172 4.350 -0.001 0.000 0.192 418 E C 1.950 178.484 176.600 -0.110 0.000 0.984 418 E CA 1.034 57.415 56.400 -0.032 0.000 0.806 418 E CB -0.029 29.674 29.700 0.004 0.000 0.750 418 E HN 0.377 nan 8.360 nan 0.000 0.458 419 Q N 0.316 119.999 119.800 -0.195 0.000 2.119 419 Q HA -0.115 4.225 4.340 -0.001 0.000 0.201 419 Q C 2.346 178.157 176.000 -0.316 0.000 0.972 419 Q CA 0.652 56.304 55.803 -0.252 0.000 0.847 419 Q CB -0.457 28.169 28.738 -0.186 0.000 0.903 419 Q HN 0.263 nan 8.270 nan 0.000 0.433 420 L N 0.800 121.837 121.223 -0.310 0.000 2.046 420 L HA -0.057 4.283 4.340 -0.001 0.000 0.208 420 L C 2.104 178.925 176.870 -0.082 0.000 1.077 420 L CA 2.033 56.791 54.840 -0.136 0.000 0.747 420 L CB -0.809 41.072 42.059 -0.297 0.000 0.896 420 L HN 0.109 nan 8.230 nan 0.000 0.432 421 A N -0.404 122.367 122.820 -0.080 0.000 1.933 421 A HA -0.237 4.083 4.320 -0.001 0.000 0.218 421 A C 2.522 180.074 177.584 -0.053 0.000 1.175 421 A CA 1.612 53.629 52.037 -0.034 0.000 0.628 421 A CB -0.672 18.320 19.000 -0.012 0.000 0.814 421 A HN 0.525 nan 8.150 nan 0.000 0.444 422 R N 0.385 120.832 120.500 -0.089 0.000 2.105 422 R HA -0.141 4.198 4.340 -0.001 0.000 0.239 422 R C 1.799 178.046 176.300 -0.087 0.000 1.135 422 R CA 2.019 58.064 56.100 -0.091 0.000 0.967 422 R CB -0.462 29.763 30.300 -0.126 0.000 0.861 422 R HN 0.721 nan 8.270 nan 0.000 0.442 423 I N -1.917 118.593 120.570 -0.099 0.000 3.793 423 I HA 0.205 4.375 4.170 -0.001 0.000 0.315 423 I C -0.184 175.914 176.117 -0.031 0.000 1.275 423 I CA -0.192 61.066 61.300 -0.070 0.000 1.214 423 I CB 0.556 38.511 38.000 -0.074 0.000 1.018 423 I HN -0.153 nan 8.210 nan 0.000 0.439 424 S N 2.706 118.393 115.700 -0.023 0.000 2.499 424 S HA 0.343 4.813 4.470 -0.001 0.000 0.275 424 S C -0.069 174.526 174.600 -0.009 0.000 1.257 424 S CA -0.463 57.734 58.200 -0.005 0.000 1.050 424 S CB 0.592 63.796 63.200 0.007 0.000 0.937 424 S HN 0.313 nan 8.310 nan 0.000 0.490 425 Q N 1.210 121.006 119.800 -0.007 0.000 2.387 425 Q HA 0.573 4.912 4.340 -0.001 0.000 0.273 425 Q C 0.408 176.406 176.000 -0.003 0.000 1.089 425 Q CA -0.717 55.081 55.803 -0.008 0.000 0.824 425 Q CB 1.780 30.511 28.738 -0.012 0.000 1.367 425 Q HN 0.642 nan 8.270 nan 0.000 0.443 426 A N 0.169 122.988 122.820 -0.002 0.000 2.095 426 A HA 0.510 4.830 4.320 -0.001 0.000 0.212 426 A C 0.630 178.214 177.584 0.001 0.000 1.162 426 A CA 1.167 53.204 52.037 0.001 0.000 0.753 426 A CB 0.271 19.271 19.000 0.001 0.000 0.840 426 A HN 0.642 nan 8.150 nan 0.000 0.468 427 A N 0.000 122.818 122.820 -0.003 0.000 2.254 427 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 427 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 427 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 427 A HN 0.000 nan 8.150 nan 0.000 0.486