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 1st8_1_A DATA FIRST_RESID 2 DATA SEQUENCE QIEQPYRTGY HFQPPSNWMN DPNGPMLYQG VYHFFYQYNP YAATFGDVII DATA SEQUENCE WGHAVSYDLV NWIHLDPAIY PTQEADSKSC WSGSATILPG NIPAMLYTGS DATA SEQUENCE DSKSRQVQDL AWPKNLSDPF LREWVKHPKN PLITPPEGVK DDCFRDPSTA DATA SEQUENCE WLGPDGVWRI VVGGDRDNNG MAFLYQSTDF VNWKRYDQPL SSADATGTWE DATA SEQUENCE CPDFYPVPLN STNGLDTSVY GGSVRHVMKA GFEGHDWYTI GTYSPDRENF DATA SEQUENCE LPQNGLSLTG STLDLRYDYG QFYASKSFFD DAKNRRVLWA WVPETDSQAD DATA SEQUENCE DIEKGWAGLQ SFPRALWIDR NGKQLIQWPV EEIEELRQNQ VNLQNKNLKP DATA SEQUENCE GSVLEIHGIA ASQADVTISF KLEGLKEAEV LDTTLVDPQA LcNERGASSR DATA SEQUENCE GALGPFGLLA MASKDLKEQS AIFFRVFQNQ LGRYSVLMcS DLSRSTVRSN DATA SEQUENCE IDTTSYGAFV DIDPRSEEIS LRNLIDHSII ESFGAGGKTC ITSRIYPKFV DATA SEQUENCE NNEEAHLFVF NNGTQNVKIS EMSAWSMKNA KFVVDQS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 176.003 176.000 0.005 0.000 1.003 2 Q CA 0.000 55.810 55.803 0.012 0.000 1.022 2 Q CB 0.000 28.745 28.738 0.012 0.000 1.108 3 I N 2.374 122.940 120.570 -0.007 0.000 2.395 3 I HA 0.166 4.336 4.170 -0.001 0.000 0.289 3 I C 0.752 176.851 176.117 -0.030 0.000 1.023 3 I CA -0.426 60.865 61.300 -0.014 0.000 1.350 3 I CB 0.847 38.835 38.000 -0.020 0.000 1.409 3 I HN 0.245 nan 8.210 nan 0.000 0.507 4 E N 6.276 126.465 120.200 -0.017 0.000 2.313 4 E HA 0.070 4.420 4.350 -0.001 0.000 0.276 4 E C -0.150 176.435 176.600 -0.025 0.000 1.031 4 E CA -0.273 56.120 56.400 -0.013 0.000 0.857 4 E CB 0.753 30.453 29.700 -0.001 0.000 1.040 4 E HN 0.363 nan 8.360 nan 0.000 0.408 5 Q N 1.276 121.075 119.800 -0.001 0.000 2.431 5 Q HA -0.175 4.165 4.340 -0.001 0.000 0.344 5 Q C -1.522 174.450 176.000 -0.048 0.000 1.384 5 Q CA 0.455 56.282 55.803 0.040 0.000 0.984 5 Q CB -1.036 27.739 28.738 0.061 0.000 1.204 5 Q HN 0.524 nan 8.270 nan 0.000 0.392 6 P HA -0.157 nan 4.420 nan 0.000 0.225 6 P C 0.650 177.824 177.300 -0.209 0.000 1.148 6 P CA 1.315 64.261 63.100 -0.257 0.000 0.779 6 P CB 0.013 31.442 31.700 -0.451 0.000 0.780 7 Y N -0.326 120.081 120.300 0.179 0.000 2.482 7 Y HA 0.210 4.759 4.550 -0.001 0.000 0.270 7 Y C 1.608 177.659 175.900 0.252 0.000 1.152 7 Y CA -0.542 57.706 58.100 0.247 0.000 1.292 7 Y CB -0.532 38.137 38.460 0.348 0.000 1.070 7 Y HN -0.186 nan 8.280 nan 0.000 0.528 8 R N 0.944 121.544 120.500 0.168 0.000 2.643 8 R HA 0.172 4.511 4.340 -0.001 0.000 0.270 8 R C 0.728 176.795 176.300 -0.389 0.000 1.061 8 R CA 0.289 56.236 56.100 -0.254 0.000 1.107 8 R CB 0.399 30.455 30.300 -0.407 0.000 0.999 8 R HN 0.160 nan 8.270 nan 0.000 0.460 9 T N -1.429 112.895 114.554 -0.384 0.000 2.874 9 T HA 0.268 4.617 4.350 -0.001 0.000 0.281 9 T C 1.191 175.732 174.700 -0.265 0.000 0.994 9 T CA -0.467 61.459 62.100 -0.290 0.000 1.015 9 T CB 1.731 70.480 68.868 -0.199 0.000 1.028 9 T HN 0.614 nan 8.240 nan 0.000 0.523 10 G N -0.418 108.326 108.800 -0.093 0.000 2.656 10 G HA2 0.140 4.099 3.960 -0.001 0.000 0.211 10 G HA3 0.140 4.099 3.960 -0.001 0.000 0.211 10 G C 0.594 175.675 174.900 0.301 0.000 1.137 10 G CA 0.100 45.258 45.100 0.096 0.000 0.802 10 G HN 0.965 nan 8.290 nan 0.000 0.527 11 Y N -1.525 118.942 120.300 0.278 0.000 2.779 11 Y HA 0.573 5.122 4.550 -0.001 0.000 0.251 11 Y C -0.072 176.033 175.900 0.341 0.000 1.145 11 Y CA -1.503 56.777 58.100 0.299 0.000 1.201 11 Y CB -0.597 37.942 38.460 0.132 0.000 1.281 11 Y HN 0.017 nan 8.280 nan 0.000 0.563 12 H N 0.910 120.051 119.070 0.118 0.000 2.479 12 H HA 0.369 4.924 4.556 -0.001 0.000 0.335 12 H C -1.141 174.287 175.328 0.166 0.000 1.142 12 H CA -1.108 55.047 56.048 0.179 0.000 1.234 12 H CB 1.182 30.935 29.762 -0.015 0.000 1.503 12 H HN 0.250 nan 8.280 nan 0.000 0.510 13 F N 3.070 123.104 119.950 0.141 0.000 2.484 13 F HA 0.223 4.750 4.527 -0.001 0.000 0.360 13 F C -0.154 175.479 175.800 -0.278 0.000 1.101 13 F CA 0.115 58.050 58.000 -0.108 0.000 1.251 13 F CB 0.235 38.953 39.000 -0.469 0.000 1.132 13 F HN 0.578 nan 8.300 nan 0.000 0.570 14 Q N 6.741 125.752 119.800 -1.316 0.000 2.545 14 Q HA 0.424 4.764 4.340 -0.001 0.000 0.273 14 Q C -3.256 172.033 176.000 -1.184 0.000 0.975 14 Q CA -2.009 53.210 55.803 -0.973 0.000 0.876 14 Q CB 2.069 30.405 28.738 -0.670 0.000 1.472 14 Q HN 0.311 nan 8.270 nan 0.000 0.389 15 P HA 0.187 nan 4.420 nan 0.000 0.274 15 P C -2.055 174.856 177.300 -0.649 0.000 1.256 15 P CA -1.042 61.611 63.100 -0.744 0.000 0.795 15 P CB 0.385 31.870 31.700 -0.360 0.000 1.038 16 P HA -0.128 nan 4.420 nan 0.000 0.216 16 P C 0.555 177.708 177.300 -0.244 0.000 1.150 16 P CA 1.786 64.645 63.100 -0.401 0.000 0.843 16 P CB 0.016 31.539 31.700 -0.295 0.000 0.787 17 S N -4.911 110.732 115.700 -0.096 0.000 2.683 17 S HA 0.464 4.934 4.470 -0.001 0.000 0.269 17 S C -1.013 173.736 174.600 0.248 0.000 1.165 17 S CA -0.898 57.353 58.200 0.085 0.000 0.840 17 S CB 0.779 64.043 63.200 0.106 0.000 1.169 17 S HN 0.004 nan 8.310 nan 0.000 0.490 18 N N -0.738 118.133 118.700 0.285 0.000 6.891 18 N HA -0.158 4.581 4.740 -0.001 0.000 0.420 18 N C -1.136 174.577 175.510 0.339 0.000 0.939 18 N CA 0.791 53.989 53.050 0.248 0.000 1.300 18 N CB -1.045 37.486 38.487 0.073 0.000 0.824 18 N HN 0.891 nan 8.380 nan 0.000 0.284 19 W N 2.476 123.800 121.300 0.039 0.000 2.315 19 W HA 0.636 5.295 4.660 -0.001 0.000 0.316 19 W C -0.454 176.162 176.519 0.161 0.000 1.211 19 W CA -0.391 57.012 57.345 0.097 0.000 1.201 19 W CB 0.469 29.951 29.460 0.037 0.000 1.184 19 W HN 0.567 nan 8.180 nan 0.000 0.544 20 M N 8.215 127.615 119.600 -0.334 0.000 2.324 20 M HA 0.207 4.686 4.480 -0.001 0.000 0.288 20 M C -0.762 175.049 176.300 -0.816 0.000 1.097 20 M CA -0.401 54.779 55.300 -0.201 0.000 0.928 20 M CB 1.508 34.103 32.600 -0.008 0.000 1.648 20 M HN 0.645 nan 8.290 nan 0.000 0.460 21 N N 1.945 120.197 118.700 -0.747 0.000 2.426 21 N HA 0.284 5.023 4.740 -0.001 0.000 0.171 21 N C -1.131 173.823 175.510 -0.926 0.000 1.643 21 N CA -0.373 51.633 53.050 -1.740 0.000 1.131 21 N CB -0.434 36.916 38.487 -1.895 0.000 1.641 21 N HN 0.556 nan 8.380 nan 0.000 0.302 22 D N 3.201 123.244 120.400 -0.595 0.000 2.730 22 D HA 0.072 4.711 4.640 -0.001 0.000 0.225 22 D C -2.042 174.133 176.300 -0.207 0.000 1.107 22 D CA 0.095 53.974 54.000 -0.201 0.000 0.837 22 D CB -0.085 40.630 40.800 -0.141 0.000 1.171 22 D HN 0.292 nan 8.370 nan 0.000 0.498 23 P HA 0.148 nan 4.420 nan 0.000 0.279 23 P C -0.898 176.127 177.300 -0.459 0.000 1.239 23 P CA -0.395 62.542 63.100 -0.271 0.000 0.789 23 P CB 0.912 32.651 31.700 0.065 0.000 0.933 24 N N 0.106 118.325 118.700 -0.800 0.000 2.240 24 N HA 0.438 5.177 4.740 -0.001 0.000 0.302 24 N C 0.207 175.356 175.510 -0.601 0.000 1.106 24 N CA -0.821 51.694 53.050 -0.892 0.000 0.778 24 N CB 1.296 38.615 38.487 -1.946 0.000 1.431 24 N HN 0.541 nan 8.380 nan 0.000 0.479 25 G N 1.359 109.977 108.800 -0.304 0.000 2.450 25 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.302 25 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.302 25 G C -2.458 172.525 174.900 0.138 0.000 0.957 25 G CA -0.455 44.647 45.100 0.002 0.000 1.005 25 G HN 0.367 nan 8.290 nan 0.000 0.514 26 P HA 0.440 nan 4.420 nan 0.000 0.269 26 P C 0.433 177.614 177.300 -0.199 0.000 1.209 26 P CA 0.262 63.325 63.100 -0.061 0.000 0.776 26 P CB 0.790 32.564 31.700 0.122 0.000 0.876 27 M N 0.869 120.229 119.600 -0.400 0.000 2.956 27 M HA 0.540 5.019 4.480 -0.001 0.000 0.272 27 M C -2.247 174.059 176.300 0.009 0.000 1.132 27 M CA -1.170 54.025 55.300 -0.177 0.000 0.805 27 M CB 1.363 34.073 32.600 0.183 0.000 1.639 27 M HN 0.050 nan 8.290 nan 0.000 0.520 28 L N 2.113 123.473 121.223 0.229 0.000 2.325 28 L HA 0.748 5.088 4.340 -0.001 0.000 0.281 28 L C -2.222 174.816 176.870 0.281 0.000 1.004 28 L CA -0.131 54.807 54.840 0.164 0.000 0.823 28 L CB 1.722 43.834 42.059 0.087 0.000 1.236 28 L HN 0.707 nan 8.230 nan 0.000 0.415 29 Y N 4.594 124.984 120.300 0.151 0.000 2.354 29 Y HA 0.386 4.936 4.550 -0.001 0.000 0.330 29 Y C -0.397 175.584 175.900 0.136 0.000 1.011 29 Y CA -0.594 57.605 58.100 0.164 0.000 1.099 29 Y CB 1.398 39.982 38.460 0.207 0.000 1.179 29 Y HN 0.736 nan 8.280 nan 0.000 0.442 30 Q N 4.299 123.834 119.800 -0.443 0.000 2.435 30 Q HA -0.222 4.118 4.340 -0.001 0.000 0.312 30 Q C 1.101 177.046 176.000 -0.092 0.000 1.333 30 Q CA 1.580 57.188 55.803 -0.324 0.000 0.883 30 Q CB -1.702 26.800 28.738 -0.393 0.000 1.170 30 Q HN 1.514 nan 8.270 nan 0.000 0.443 31 G N -2.344 106.403 108.800 -0.089 0.000 2.189 31 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.267 31 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.267 31 G C 0.168 175.043 174.900 -0.041 0.000 0.975 31 G CA 0.284 45.347 45.100 -0.061 0.000 0.644 31 G HN 0.428 nan 8.290 nan 0.000 0.537 32 V N 0.580 120.463 119.914 -0.051 0.000 2.495 32 V HA 0.580 4.699 4.120 -0.001 0.000 0.298 32 V C -0.190 175.777 176.094 -0.212 0.000 1.031 32 V CA -1.253 60.963 62.300 -0.141 0.000 0.871 32 V CB 1.459 33.247 31.823 -0.058 0.000 0.988 32 V HN 0.211 nan 8.190 nan 0.000 0.432 33 Y N 3.844 124.045 120.300 -0.165 0.000 2.336 33 Y HA 0.398 4.947 4.550 -0.001 0.000 0.335 33 Y C 0.814 176.640 175.900 -0.123 0.000 1.046 33 Y CA -0.059 58.009 58.100 -0.053 0.000 1.198 33 Y CB 0.423 38.852 38.460 -0.051 0.000 1.182 33 Y HN 0.554 nan 8.280 nan 0.000 0.502 34 H N 3.921 123.132 119.070 0.235 0.000 2.457 34 H HA 0.301 4.856 4.556 -0.001 0.000 0.335 34 H C -1.370 173.990 175.328 0.055 0.000 1.115 34 H CA -0.641 55.500 56.048 0.154 0.000 1.219 34 H CB 1.847 31.745 29.762 0.226 0.000 1.471 34 H HN 0.566 nan 8.280 nan 0.000 0.491 35 F N 3.652 123.437 119.950 -0.275 0.000 2.539 35 F HA 0.403 4.930 4.527 -0.001 0.000 0.318 35 F C -1.843 173.520 175.800 -0.728 0.000 1.135 35 F CA -0.896 56.725 58.000 -0.632 0.000 0.915 35 F CB 0.835 39.112 39.000 -1.204 0.000 1.176 35 F HN 0.305 nan 8.300 nan 0.000 0.440 36 F N 4.812 124.056 119.950 -1.176 0.000 2.598 36 F HA 0.727 5.254 4.527 -0.001 0.000 0.327 36 F C -1.061 173.933 175.800 -1.343 0.000 1.057 36 F CA -1.035 56.387 58.000 -0.963 0.000 0.957 36 F CB 1.956 40.520 39.000 -0.727 0.000 1.278 36 F HN 0.441 nan 8.300 nan 0.000 0.484 37 Y N -1.731 118.081 120.300 -0.814 0.000 2.620 37 Y HA 0.390 4.939 4.550 -0.001 0.000 0.331 37 Y C -1.399 174.249 175.900 -0.419 0.000 1.173 37 Y CA -1.720 55.953 58.100 -0.712 0.000 1.076 37 Y CB 0.496 38.654 38.460 -0.504 0.000 1.336 37 Y HN 0.410 nan 8.280 nan 0.000 0.459 38 Q N 2.593 122.254 119.800 -0.231 0.000 2.255 38 Q HA 0.108 4.448 4.340 -0.001 0.000 0.280 38 Q C -1.487 174.653 176.000 0.235 0.000 1.068 38 Q CA 0.634 56.417 55.803 -0.034 0.000 0.911 38 Q CB 0.835 29.592 28.738 0.032 0.000 1.157 38 Q HN 0.890 nan 8.270 nan 0.000 0.380 39 Y N 2.607 122.944 120.300 0.063 0.000 2.492 39 Y HA 0.299 4.848 4.550 -0.001 0.000 0.346 39 Y C -0.858 175.102 175.900 0.100 0.000 0.997 39 Y CA -1.062 57.132 58.100 0.155 0.000 1.025 39 Y CB 1.716 40.195 38.460 0.032 0.000 1.263 39 Y HN 0.515 nan 8.280 nan 0.000 0.454 40 N N 6.780 125.209 118.700 -0.452 0.000 2.469 40 N HA 0.359 5.098 4.740 -0.001 0.000 0.253 40 N C -2.508 172.402 175.510 -0.999 0.000 0.970 40 N CA -2.633 50.099 53.050 -0.529 0.000 0.940 40 N CB 1.970 40.265 38.487 -0.319 0.000 1.128 40 N HN 0.410 nan 8.380 nan 0.000 0.503 41 P HA 0.051 nan 4.420 nan 0.000 0.233 41 P C -0.020 176.844 177.300 -0.726 0.000 1.167 41 P CA 0.996 63.580 63.100 -0.861 0.000 0.770 41 P CB 0.011 31.210 31.700 -0.835 0.000 0.837 42 Y N -1.542 118.644 120.300 -0.189 0.000 2.445 42 Y HA 0.590 5.139 4.550 -0.001 0.000 0.247 42 Y C 1.107 176.950 175.900 -0.094 0.000 1.129 42 Y CA -0.497 57.534 58.100 -0.114 0.000 1.251 42 Y CB 0.620 39.015 38.460 -0.108 0.000 1.176 42 Y HN -0.134 nan 8.280 nan 0.000 0.522 43 A N -0.096 122.717 122.820 -0.012 0.000 2.564 43 A HA 0.758 5.078 4.320 -0.001 0.000 0.291 43 A C -0.713 176.902 177.584 0.052 0.000 1.102 43 A CA -0.272 51.774 52.037 0.015 0.000 0.660 43 A CB 0.105 19.102 19.000 -0.005 0.000 1.283 43 A HN 0.048 nan 8.150 nan 0.000 0.430 44 A N 0.253 123.137 122.820 0.106 0.000 2.532 44 A HA 0.563 4.882 4.320 -0.001 0.000 0.273 44 A C 0.663 178.435 177.584 0.314 0.000 1.342 44 A CA 1.029 53.200 52.037 0.223 0.000 0.929 44 A CB -1.097 17.990 19.000 0.145 0.000 1.051 44 A HN 1.984 nan 8.150 nan 0.000 0.521 45 T N -4.789 109.844 114.554 0.132 0.000 2.841 45 T HA 0.607 4.956 4.350 -0.001 0.000 0.296 45 T C -0.451 173.770 174.700 -0.798 0.000 1.166 45 T CA -0.757 61.262 62.100 -0.134 0.000 1.007 45 T CB 0.753 69.553 68.868 -0.114 0.000 1.253 45 T HN 0.160 nan 8.240 nan 0.000 0.511 46 F N 0.763 119.805 119.950 -1.512 0.000 2.496 46 F HA 0.588 5.114 4.527 -0.001 0.000 0.344 46 F C 0.771 176.228 175.800 -0.572 0.000 1.155 46 F CA 0.939 58.133 58.000 -1.343 0.000 1.302 46 F CB 0.331 38.764 39.000 -0.944 0.000 1.159 46 F HN 1.030 nan 8.300 nan 0.000 0.595 47 G N 2.818 111.030 108.800 -0.980 0.000 2.727 47 G HA2 0.198 4.157 3.960 -0.001 0.000 0.289 47 G HA3 0.198 4.157 3.960 -0.001 0.000 0.289 47 G C -0.515 174.114 174.900 -0.451 0.000 1.418 47 G CA -0.579 44.220 45.100 -0.501 0.000 0.818 47 G HN 0.454 nan 8.290 nan 0.000 0.486 48 D N -0.984 119.307 120.400 -0.181 0.000 2.219 48 D HA -0.038 4.602 4.640 -0.001 0.000 0.205 48 D C 0.949 177.204 176.300 -0.074 0.000 0.970 48 D CA 1.096 55.052 54.000 -0.074 0.000 0.851 48 D CB 0.432 41.211 40.800 -0.035 0.000 0.943 48 D HN 0.047 nan 8.370 nan 0.000 0.488 49 V N 2.827 122.691 119.914 -0.083 0.000 2.304 49 V HA 0.200 4.319 4.120 -0.001 0.000 0.278 49 V C -0.145 175.893 176.094 -0.095 0.000 1.018 49 V CA -0.563 61.716 62.300 -0.035 0.000 0.814 49 V CB 1.854 33.750 31.823 0.122 0.000 1.021 49 V HN -0.078 nan 8.190 nan 0.000 0.440 50 I N 6.557 127.078 120.570 -0.081 0.000 2.441 50 I HA 0.595 4.765 4.170 -0.001 0.000 0.295 50 I C 0.024 176.171 176.117 0.049 0.000 0.994 50 I CA -0.344 60.945 61.300 -0.019 0.000 1.144 50 I CB 1.843 39.933 38.000 0.149 0.000 1.314 50 I HN 0.609 nan 8.210 nan 0.000 0.445 51 I N 0.404 121.029 120.570 0.092 0.000 3.239 51 I HA 0.564 4.733 4.170 -0.001 0.000 0.314 51 I C -1.545 174.695 176.117 0.205 0.000 1.126 51 I CA -0.908 60.478 61.300 0.143 0.000 0.973 51 I CB 2.394 40.466 38.000 0.119 0.000 1.252 51 I HN 0.278 nan 8.210 nan 0.000 0.463 52 W N 2.457 123.630 121.300 -0.212 0.000 2.387 52 W HA 0.635 5.294 4.660 -0.001 0.000 0.310 52 W C 0.735 177.026 176.519 -0.380 0.000 1.181 52 W CA -0.329 56.816 57.345 -0.333 0.000 1.333 52 W CB 0.834 30.017 29.460 -0.460 0.000 1.286 52 W HN 0.667 nan 8.180 nan 0.000 0.455 53 G N 1.924 110.327 108.800 -0.662 0.000 2.634 53 G HA2 0.322 4.281 3.960 -0.001 0.000 0.255 53 G HA3 0.322 4.281 3.960 -0.001 0.000 0.255 53 G C -1.420 173.123 174.900 -0.595 0.000 1.205 53 G CA -0.069 44.438 45.100 -0.989 0.000 0.884 53 G HN 0.485 nan 8.290 nan 0.000 0.549 54 H N -1.061 117.818 119.070 -0.318 0.000 2.954 54 H HA 0.673 5.229 4.556 -0.001 0.000 0.361 54 H C -0.781 174.535 175.328 -0.019 0.000 1.122 54 H CA -0.063 55.850 56.048 -0.225 0.000 1.217 54 H CB 1.546 31.282 29.762 -0.044 0.000 1.776 54 H HN 0.802 nan 8.280 nan 0.000 0.533 55 A N 3.441 126.188 122.820 -0.121 0.000 2.572 55 A HA 0.717 5.036 4.320 -0.001 0.000 0.295 55 A C -1.204 176.311 177.584 -0.115 0.000 1.072 55 A CA -0.083 51.917 52.037 -0.061 0.000 0.691 55 A CB 1.138 20.324 19.000 0.310 0.000 1.291 55 A HN 0.921 nan 8.150 nan 0.000 0.404 56 V N -1.370 118.434 119.914 -0.183 0.000 3.001 56 V HA 0.999 5.118 4.120 -0.001 0.000 0.314 56 V C -0.201 175.606 176.094 -0.477 0.000 1.099 56 V CA -0.289 61.776 62.300 -0.391 0.000 0.989 56 V CB 1.430 32.700 31.823 -0.923 0.000 1.040 56 V HN 1.717 nan 8.190 nan 0.000 0.434 57 S N 0.587 115.838 115.700 -0.750 0.000 2.565 57 S HA 0.674 5.143 4.470 -0.001 0.000 0.269 57 S C -0.901 173.318 174.600 -0.636 0.000 1.153 57 S CA -0.404 57.208 58.200 -0.981 0.000 0.835 57 S CB 1.730 63.776 63.200 -1.923 0.000 1.122 57 S HN 0.714 nan 8.310 nan 0.000 0.462 58 Y N 1.276 121.439 120.300 -0.228 0.000 2.458 58 Y HA 0.235 4.785 4.550 -0.001 0.000 0.254 58 Y C 1.179 177.120 175.900 0.067 0.000 1.120 58 Y CA 0.300 58.382 58.100 -0.031 0.000 1.282 58 Y CB 0.413 38.836 38.460 -0.062 0.000 1.109 58 Y HN 0.756 nan 8.280 nan 0.000 0.526 59 D N -2.427 117.946 120.400 -0.044 0.000 2.538 59 D HA 0.117 4.757 4.640 -0.001 0.000 0.241 59 D C 0.793 176.847 176.300 -0.410 0.000 1.297 59 D CA -0.004 53.913 54.000 -0.140 0.000 0.804 59 D CB -0.448 40.286 40.800 -0.109 0.000 1.122 59 D HN 0.183 nan 8.370 nan 0.000 0.519 60 L N -0.701 120.119 121.223 -0.671 0.000 5.051 60 L HA -0.293 4.046 4.340 -0.001 0.000 0.432 60 L C 0.792 177.482 176.870 -0.300 0.000 1.055 60 L CA 0.757 55.251 54.840 -0.578 0.000 1.095 60 L CB -1.465 40.243 42.059 -0.584 0.000 1.957 60 L HN 0.157 nan 8.230 nan 0.000 0.727 61 V N -2.111 117.587 119.914 -0.359 0.000 2.854 61 V HA 0.181 4.300 4.120 -0.001 0.000 0.236 61 V C 1.029 176.984 176.094 -0.231 0.000 1.157 61 V CA 0.941 63.199 62.300 -0.069 0.000 1.187 61 V CB 0.172 31.990 31.823 -0.008 0.000 0.949 61 V HN 0.306 nan 8.190 nan 0.000 0.488 62 N N 0.071 118.481 118.700 -0.483 0.000 2.438 62 N HA 0.309 5.049 4.740 -0.001 0.000 0.282 62 N C -1.525 173.529 175.510 -0.759 0.000 1.037 62 N CA -0.131 52.608 53.050 -0.518 0.000 0.942 62 N CB 1.478 39.776 38.487 -0.315 0.000 1.136 62 N HN 0.291 nan 8.380 nan 0.000 0.481 63 W N 1.315 122.290 121.300 -0.540 0.000 2.799 63 W HA 0.600 5.259 4.660 -0.001 0.000 0.349 63 W C -0.023 176.278 176.519 -0.363 0.000 1.100 63 W CA -0.598 56.525 57.345 -0.370 0.000 1.174 63 W CB 1.224 30.599 29.460 -0.143 0.000 1.427 63 W HN 0.155 nan 8.180 nan 0.000 0.547 64 I N 2.987 123.500 120.570 -0.095 0.000 2.410 64 I HA 0.162 4.332 4.170 -0.001 0.000 0.286 64 I C -0.369 175.665 176.117 -0.138 0.000 1.009 64 I CA -1.089 60.110 61.300 -0.168 0.000 1.111 64 I CB 0.887 38.707 38.000 -0.300 0.000 1.262 64 I HN 0.265 nan 8.210 nan 0.000 0.443 65 H N 6.982 126.104 119.070 0.088 0.000 2.767 65 H HA 0.445 5.001 4.556 -0.001 0.000 0.316 65 H C -0.175 175.149 175.328 -0.008 0.000 1.059 65 H CA 0.150 56.239 56.048 0.068 0.000 1.461 65 H CB 1.227 31.024 29.762 0.059 0.000 1.475 65 H HN 0.405 nan 8.280 nan 0.000 0.531 66 L N 1.618 122.884 121.223 0.072 0.000 2.341 66 L HA 0.311 4.650 4.340 -0.001 0.000 0.267 66 L C 0.579 177.503 176.870 0.090 0.000 1.022 66 L CA -1.120 53.744 54.840 0.040 0.000 0.844 66 L CB 0.931 42.943 42.059 -0.079 0.000 1.436 66 L HN 0.450 nan 8.230 nan 0.000 0.483 67 D N 0.861 121.335 120.400 0.123 0.000 2.339 67 D HA 0.207 4.846 4.640 -0.001 0.000 0.245 67 D C -2.257 174.138 176.300 0.158 0.000 1.115 67 D CA -0.872 53.193 54.000 0.108 0.000 0.917 67 D CB 0.722 41.588 40.800 0.110 0.000 1.192 67 D HN 0.194 nan 8.370 nan 0.000 0.428 68 P HA -0.022 nan 4.420 nan 0.000 0.265 68 P C -0.286 177.174 177.300 0.266 0.000 1.187 68 P CA 0.013 63.197 63.100 0.139 0.000 0.766 68 P CB 0.764 32.525 31.700 0.102 0.000 0.820 69 A N 4.149 127.078 122.820 0.181 0.000 1.911 69 A HA 0.150 4.469 4.320 -0.001 0.000 0.212 69 A C 1.106 178.493 177.584 -0.328 0.000 1.189 69 A CA 0.835 52.874 52.037 0.003 0.000 0.639 69 A CB -0.174 18.663 19.000 -0.272 0.000 0.839 69 A HN 0.549 nan 8.150 nan 0.000 0.449 70 I N 0.741 121.042 120.570 -0.448 0.000 2.447 70 I HA 0.464 4.634 4.170 -0.001 0.000 0.287 70 I C -1.399 174.429 176.117 -0.482 0.000 1.023 70 I CA -0.872 59.939 61.300 -0.816 0.000 1.083 70 I CB 1.664 38.733 38.000 -1.551 0.000 1.245 70 I HN 0.437 nan 8.210 nan 0.000 0.434 71 Y N 5.116 125.218 120.300 -0.330 0.000 2.571 71 Y HA 0.619 5.169 4.550 -0.001 0.000 0.341 71 Y C -2.924 172.866 175.900 -0.183 0.000 1.076 71 Y CA -3.496 54.479 58.100 -0.208 0.000 1.029 71 Y CB 0.600 38.992 38.460 -0.114 0.000 1.308 71 Y HN 0.278 nan 8.280 nan 0.000 0.461 72 P HA -0.039 nan 4.420 nan 0.000 0.258 72 P C 0.402 177.708 177.300 0.010 0.000 1.172 72 P CA 0.878 63.955 63.100 -0.040 0.000 0.762 72 P CB 0.839 32.520 31.700 -0.032 0.000 0.764 73 T N -0.760 113.756 114.554 -0.064 0.000 3.131 73 T HA 0.101 4.450 4.350 -0.001 0.000 0.283 73 T C 0.364 175.034 174.700 -0.052 0.000 0.906 73 T CA -0.255 61.820 62.100 -0.041 0.000 0.882 73 T CB 0.118 68.928 68.868 -0.097 0.000 1.208 73 T HN 0.551 nan 8.240 nan 0.000 0.561 74 Q N -0.196 119.567 119.800 -0.061 0.000 2.544 74 Q HA 0.547 4.886 4.340 -0.001 0.000 0.291 74 Q C 0.458 176.429 176.000 -0.050 0.000 1.068 74 Q CA -0.940 54.832 55.803 -0.052 0.000 0.785 74 Q CB 1.434 30.138 28.738 -0.057 0.000 1.481 74 Q HN -0.121 nan 8.270 nan 0.000 0.430 75 E N 1.061 121.236 120.200 -0.042 0.000 2.118 75 E HA -0.209 4.140 4.350 -0.001 0.000 0.195 75 E C 1.477 178.046 176.600 -0.052 0.000 0.992 75 E CA 1.860 58.235 56.400 -0.041 0.000 0.804 75 E CB -0.191 29.491 29.700 -0.031 0.000 0.741 75 E HN 0.746 nan 8.360 nan 0.000 0.458 76 A N 1.192 123.979 122.820 -0.055 0.000 2.225 76 A HA -0.151 4.169 4.320 -0.001 0.000 0.215 76 A C 0.795 178.324 177.584 -0.092 0.000 1.164 76 A CA 1.706 53.700 52.037 -0.072 0.000 0.710 76 A CB -0.167 18.786 19.000 -0.079 0.000 0.780 76 A HN 0.394 nan 8.150 nan 0.000 0.473 77 D N -2.844 117.506 120.400 -0.084 0.000 2.704 77 D HA -0.015 4.624 4.640 -0.001 0.000 0.291 77 D C 0.951 177.179 176.300 -0.120 0.000 1.610 77 D CA 0.626 54.566 54.000 -0.100 0.000 0.807 77 D CB -1.103 39.688 40.800 -0.013 0.000 1.233 77 D HN 0.205 nan 8.370 nan 0.000 0.445 78 S N 0.727 116.368 115.700 -0.098 0.000 2.400 78 S HA -0.219 4.251 4.470 -0.001 0.000 0.232 78 S C 1.639 176.178 174.600 -0.100 0.000 1.025 78 S CA 0.824 58.976 58.200 -0.081 0.000 0.993 78 S CB -0.290 62.875 63.200 -0.059 0.000 0.808 78 S HN 0.255 nan 8.310 nan 0.000 0.478 79 K N 0.329 120.638 120.400 -0.150 0.000 2.356 79 K HA 0.345 4.664 4.320 -0.001 0.000 0.195 79 K C -0.144 176.298 176.600 -0.263 0.000 1.037 79 K CA 0.196 56.382 56.287 -0.169 0.000 1.014 79 K CB 0.331 32.740 32.500 -0.152 0.000 0.815 79 K HN 0.253 nan 8.250 nan 0.000 0.507 80 S N -1.296 114.177 115.700 -0.379 0.000 2.735 80 S HA 0.109 4.579 4.470 -0.001 0.000 0.279 80 S C -1.756 172.536 174.600 -0.514 0.000 0.989 80 S CA -0.975 56.930 58.200 -0.491 0.000 0.883 80 S CB 0.892 63.608 63.200 -0.807 0.000 1.117 80 S HN 0.141 nan 8.310 nan 0.000 0.458 81 C N 3.723 122.837 119.300 -0.310 0.000 2.301 81 C HA 0.559 5.018 4.460 -0.001 0.000 0.313 81 C C 0.182 175.290 174.990 0.196 0.000 1.121 81 C CA -0.832 58.108 59.018 -0.130 0.000 1.507 81 C CB -1.088 26.452 27.740 -0.334 0.000 1.975 81 C HN 0.687 nan 8.230 nan 0.000 0.425 82 W N 1.330 122.817 121.300 0.312 0.000 2.030 82 W HA 0.379 5.038 4.660 -0.001 0.000 0.412 82 W C 0.810 177.573 176.519 0.406 0.000 1.715 82 W CA -0.878 56.647 57.345 0.299 0.000 1.895 82 W CB -0.248 29.344 29.460 0.219 0.000 1.381 82 W HN 0.437 nan 8.180 nan 0.000 0.717 83 S N 0.142 116.116 115.700 0.456 0.000 2.550 83 S HA 0.407 4.877 4.470 -0.001 0.000 0.285 83 S C 0.328 175.147 174.600 0.365 0.000 1.326 83 S CA 0.652 58.988 58.200 0.228 0.000 1.037 83 S CB 0.271 63.516 63.200 0.076 0.000 0.838 83 S HN 0.657 nan 8.310 nan 0.000 0.519 84 G N 0.497 109.479 108.800 0.303 0.000 2.548 84 G HA2 0.586 4.545 3.960 -0.001 0.000 0.301 84 G HA3 0.586 4.545 3.960 -0.001 0.000 0.301 84 G C -1.600 173.448 174.900 0.246 0.000 1.349 84 G CA -0.670 44.656 45.100 0.377 0.000 0.792 84 G HN 0.695 nan 8.290 nan 0.000 0.481 85 S N -1.395 114.450 115.700 0.242 0.000 2.627 85 S HA 0.859 5.329 4.470 -0.001 0.000 0.283 85 S C -0.230 174.487 174.600 0.195 0.000 1.127 85 S CA -0.108 58.210 58.200 0.197 0.000 0.863 85 S CB 1.797 65.119 63.200 0.204 0.000 1.121 85 S HN 1.601 nan 8.310 nan 0.000 0.479 86 A N 1.157 124.090 122.820 0.188 0.000 2.324 86 A HA 0.794 5.113 4.320 -0.001 0.000 0.330 86 A C -0.453 177.258 177.584 0.211 0.000 1.165 86 A CA -0.542 51.599 52.037 0.172 0.000 0.813 86 A CB 0.616 19.712 19.000 0.160 0.000 1.197 86 A HN 0.607 nan 8.150 nan 0.000 0.484 87 T N 2.711 117.356 114.554 0.152 0.000 2.881 87 T HA 0.432 4.781 4.350 -0.001 0.000 0.291 87 T C -0.457 174.231 174.700 -0.021 0.000 0.990 87 T CA -0.038 62.130 62.100 0.113 0.000 0.976 87 T CB 0.660 69.560 68.868 0.053 0.000 0.970 87 T HN 0.463 nan 8.240 nan 0.000 0.438 88 I N 4.506 125.135 120.570 0.097 0.000 2.291 88 I HA 0.271 4.441 4.170 -0.001 0.000 0.292 88 I C 0.140 176.303 176.117 0.076 0.000 1.064 88 I CA -0.545 60.806 61.300 0.085 0.000 1.269 88 I CB 0.465 38.602 38.000 0.228 0.000 1.418 88 I HN 0.366 nan 8.210 nan 0.000 0.485 89 L N 7.949 129.122 121.223 -0.083 0.000 2.418 89 L HA 0.371 4.710 4.340 -0.001 0.000 0.265 89 L C -2.122 174.815 176.870 0.112 0.000 1.143 89 L CA -1.910 52.917 54.840 -0.020 0.000 0.809 89 L CB -0.085 41.802 42.059 -0.287 0.000 1.124 89 L HN 0.247 nan 8.230 nan 0.000 0.456 90 P HA 0.024 nan 4.420 nan 0.000 0.265 90 P C 0.670 178.021 177.300 0.085 0.000 1.187 90 P CA 0.842 64.029 63.100 0.145 0.000 0.766 90 P CB 0.612 32.398 31.700 0.145 0.000 0.820 91 G N 2.420 111.266 108.800 0.077 0.000 2.179 91 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.220 91 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.220 91 G C 0.518 175.461 174.900 0.072 0.000 0.990 91 G CA 0.080 45.211 45.100 0.052 0.000 0.646 91 G HN 0.666 nan 8.290 nan 0.000 0.517 92 N N -1.455 117.312 118.700 0.112 0.000 2.756 92 N HA -0.179 4.561 4.740 -0.001 0.000 0.248 92 N C -0.353 175.289 175.510 0.219 0.000 1.062 92 N CA 1.318 54.488 53.050 0.200 0.000 0.696 92 N CB -1.163 37.429 38.487 0.176 0.000 0.946 92 N HN 1.544 nan 8.380 nan 0.000 0.548 93 I N 0.759 121.367 120.570 0.063 0.000 2.410 93 I HA 0.542 4.712 4.170 -0.001 0.000 0.286 93 I C -2.382 173.642 176.117 -0.155 0.000 1.009 93 I CA -2.297 58.961 61.300 -0.070 0.000 1.111 93 I CB 1.557 39.475 38.000 -0.136 0.000 1.262 93 I HN -0.026 nan 8.210 nan 0.000 0.443 94 P HA 0.322 nan 4.420 nan 0.000 0.282 94 P C -1.265 176.011 177.300 -0.041 0.000 1.262 94 P CA -0.312 62.674 63.100 -0.189 0.000 0.773 94 P CB 1.241 32.735 31.700 -0.344 0.000 0.879 95 A N 4.527 127.321 122.820 -0.043 0.000 2.318 95 A HA 0.693 5.013 4.320 -0.001 0.000 0.324 95 A C -0.460 177.233 177.584 0.180 0.000 1.170 95 A CA -0.700 51.379 52.037 0.069 0.000 0.810 95 A CB 0.744 19.617 19.000 -0.212 0.000 1.198 95 A HN 0.494 nan 8.150 nan 0.000 0.484 96 M N 2.810 122.553 119.600 0.238 0.000 2.167 96 M HA 0.534 5.013 4.480 -0.001 0.000 0.333 96 M C -1.403 174.960 176.300 0.106 0.000 1.030 96 M CA -0.386 54.962 55.300 0.079 0.000 0.963 96 M CB 0.789 33.230 32.600 -0.265 0.000 1.589 96 M HN 0.566 nan 8.290 nan 0.000 0.431 97 L N 6.803 128.082 121.223 0.093 0.000 2.313 97 L HA 0.624 4.964 4.340 -0.001 0.000 0.283 97 L C -1.251 175.638 176.870 0.032 0.000 1.013 97 L CA -0.880 53.935 54.840 -0.040 0.000 0.816 97 L CB 0.884 42.853 42.059 -0.150 0.000 1.236 97 L HN 0.770 nan 8.230 nan 0.000 0.419 98 Y N 0.085 120.298 120.300 -0.145 0.000 2.625 98 Y HA 0.578 5.127 4.550 -0.001 0.000 0.338 98 Y C -0.588 175.280 175.900 -0.053 0.000 1.123 98 Y CA -1.196 56.884 58.100 -0.033 0.000 1.046 98 Y CB 1.267 39.672 38.460 -0.093 0.000 1.299 98 Y HN 0.262 nan 8.280 nan 0.000 0.464 99 T N 2.322 116.980 114.554 0.173 0.000 2.749 99 T HA 0.570 4.920 4.350 -0.001 0.000 0.295 99 T C 0.232 175.046 174.700 0.189 0.000 0.936 99 T CA 0.011 62.172 62.100 0.101 0.000 1.060 99 T CB 0.482 69.493 68.868 0.240 0.000 0.904 99 T HN 0.997 nan 8.240 nan 0.000 0.500 100 G N 1.223 109.999 108.800 -0.040 0.000 2.417 100 G HA2 0.505 4.464 3.960 -0.001 0.000 0.334 100 G HA3 0.505 4.464 3.960 -0.001 0.000 0.334 100 G C -0.641 174.152 174.900 -0.177 0.000 1.150 100 G CA -0.583 44.468 45.100 -0.082 0.000 0.923 100 G HN 0.604 nan 8.290 nan 0.000 0.485 101 S N 0.536 115.981 115.700 -0.425 0.000 2.423 101 S HA 0.375 4.844 4.470 -0.001 0.000 0.317 101 S C 0.094 174.563 174.600 -0.219 0.000 1.065 101 S CA -0.872 57.082 58.200 -0.409 0.000 1.111 101 S CB 0.130 62.797 63.200 -0.889 0.000 0.968 101 S HN 0.732 nan 8.310 nan 0.000 0.474 102 D N 3.139 123.477 120.400 -0.104 0.000 2.414 102 D HA 0.165 4.805 4.640 -0.001 0.000 0.259 102 D C 1.498 177.764 176.300 -0.056 0.000 1.269 102 D CA -0.122 53.834 54.000 -0.074 0.000 1.028 102 D CB 0.014 40.786 40.800 -0.045 0.000 1.093 102 D HN 0.385 nan 8.370 nan 0.000 0.545 103 S N -0.939 114.736 115.700 -0.042 0.000 2.419 103 S HA -0.209 4.261 4.470 -0.001 0.000 0.235 103 S C 1.243 175.834 174.600 -0.015 0.000 1.019 103 S CA 0.796 58.978 58.200 -0.030 0.000 0.982 103 S CB -0.530 62.655 63.200 -0.025 0.000 0.789 103 S HN 0.526 nan 8.310 nan 0.000 0.490 104 K N 0.909 121.305 120.400 -0.007 0.000 2.437 104 K HA 0.307 4.626 4.320 -0.001 0.000 0.198 104 K C 0.097 176.711 176.600 0.024 0.000 1.024 104 K CA 0.334 56.625 56.287 0.007 0.000 1.148 104 K CB 0.074 32.578 32.500 0.007 0.000 0.860 104 K HN 0.279 nan 8.250 nan 0.000 0.515 105 S N 1.042 116.755 115.700 0.021 0.000 3.476 105 S HA -0.201 4.268 4.470 -0.001 0.000 0.309 105 S C -0.026 174.634 174.600 0.099 0.000 1.222 105 S CA 1.103 59.336 58.200 0.056 0.000 0.922 105 S CB -1.320 61.926 63.200 0.076 0.000 1.023 105 S HN 0.607 nan 8.310 nan 0.000 0.591 106 R N 0.486 121.031 120.500 0.075 0.000 2.598 106 R HA 0.644 4.983 4.340 -0.001 0.000 0.279 106 R C -0.493 175.890 176.300 0.139 0.000 0.984 106 R CA -0.938 55.229 56.100 0.112 0.000 0.999 106 R CB 0.754 31.098 30.300 0.073 0.000 1.114 106 R HN 0.200 nan 8.270 nan 0.000 0.493 107 Q N 1.554 121.487 119.800 0.220 0.000 2.307 107 Q HA 0.281 4.621 4.340 -0.001 0.000 0.259 107 Q C -0.360 175.773 176.000 0.222 0.000 0.998 107 Q CA -0.560 55.401 55.803 0.263 0.000 0.923 107 Q CB 1.600 30.548 28.738 0.351 0.000 1.196 107 Q HN 0.559 nan 8.270 nan 0.000 0.416 108 V N -0.256 119.720 119.914 0.103 0.000 3.001 108 V HA 0.498 4.617 4.120 -0.001 0.000 0.314 108 V C -1.020 175.007 176.094 -0.112 0.000 1.099 108 V CA -1.239 61.087 62.300 0.043 0.000 0.989 108 V CB 2.289 34.105 31.823 -0.010 0.000 1.040 108 V HN 0.504 nan 8.190 nan 0.000 0.434 109 Q N 2.056 121.742 119.800 -0.191 0.000 2.303 109 Q HA 0.574 4.913 4.340 -0.001 0.000 0.257 109 Q C -1.154 174.595 176.000 -0.418 0.000 0.941 109 Q CA -0.177 55.407 55.803 -0.365 0.000 0.931 109 Q CB 1.386 29.844 28.738 -0.467 0.000 1.215 109 Q HN 0.852 nan 8.270 nan 0.000 0.437 110 D N 1.428 121.440 120.400 -0.647 0.000 2.299 110 D HA 0.495 5.135 4.640 -0.001 0.000 0.243 110 D C -0.449 175.515 176.300 -0.560 0.000 0.982 110 D CA -0.594 53.013 54.000 -0.655 0.000 0.924 110 D CB 2.089 42.336 40.800 -0.921 0.000 1.238 110 D HN 0.240 nan 8.370 nan 0.000 0.484 111 L N 0.458 121.558 121.223 -0.206 0.000 2.362 111 L HA 0.756 5.095 4.340 -0.001 0.000 0.271 111 L C -1.364 175.631 176.870 0.209 0.000 1.002 111 L CA -0.422 54.452 54.840 0.057 0.000 0.818 111 L CB 1.526 43.692 42.059 0.177 0.000 1.298 111 L HN 0.574 nan 8.230 nan 0.000 0.420 112 A N 3.707 126.699 122.820 0.286 0.000 2.587 112 A HA 0.821 5.140 4.320 -0.001 0.000 0.293 112 A C -2.183 175.695 177.584 0.490 0.000 1.087 112 A CA -0.474 51.695 52.037 0.220 0.000 0.692 112 A CB 1.502 20.517 19.000 0.026 0.000 1.291 112 A HN 0.840 nan 8.150 nan 0.000 0.407 113 W N 0.052 121.480 121.300 0.213 0.000 3.137 113 W HA 0.747 5.407 4.660 -0.001 0.000 0.324 113 W C -3.187 173.101 176.519 -0.385 0.000 1.253 113 W CA -2.373 54.982 57.345 0.016 0.000 1.183 113 W CB 0.703 30.123 29.460 -0.067 0.000 1.424 113 W HN 0.490 nan 8.180 nan 0.000 0.566 114 P HA -0.003 nan 4.420 nan 0.000 0.268 114 P C -0.038 176.976 177.300 -0.477 0.000 1.205 114 P CA 0.310 62.760 63.100 -1.084 0.000 0.771 114 P CB 1.769 32.827 31.700 -1.071 0.000 0.858 115 K N 2.038 122.175 120.400 -0.438 0.000 2.379 115 K HA 0.011 4.330 4.320 -0.001 0.000 0.194 115 K C 0.332 176.856 176.600 -0.127 0.000 1.031 115 K CA 0.308 56.450 56.287 -0.242 0.000 1.037 115 K CB 0.169 32.535 32.500 -0.224 0.000 0.824 115 K HN 0.278 nan 8.250 nan 0.000 0.516 116 N N 0.984 119.599 118.700 -0.143 0.000 2.707 116 N HA 0.099 4.839 4.740 -0.001 0.000 0.249 116 N C 0.066 175.551 175.510 -0.042 0.000 1.299 116 N CA -0.170 52.842 53.050 -0.063 0.000 0.769 116 N CB 0.559 39.021 38.487 -0.041 0.000 1.236 116 N HN 0.035 nan 8.380 nan 0.000 0.524 117 L N 0.275 121.492 121.223 -0.011 0.000 2.450 117 L HA -0.046 4.293 4.340 -0.001 0.000 0.224 117 L C 1.515 178.435 176.870 0.083 0.000 1.149 117 L CA 0.666 55.539 54.840 0.055 0.000 0.816 117 L CB -0.118 41.995 42.059 0.090 0.000 0.932 117 L HN 0.350 nan 8.230 nan 0.000 0.449 118 S N -1.330 114.395 115.700 0.041 0.000 2.489 118 S HA -0.081 4.388 4.470 -0.001 0.000 0.228 118 S C 0.721 175.337 174.600 0.026 0.000 0.995 118 S CA 0.265 58.483 58.200 0.030 0.000 0.934 118 S CB -0.237 62.970 63.200 0.011 0.000 0.771 118 S HN 0.364 nan 8.310 nan 0.000 0.522 119 D N 1.762 122.185 120.400 0.038 0.000 2.336 119 D HA 0.185 4.824 4.640 -0.001 0.000 0.249 119 D C -1.906 174.458 176.300 0.105 0.000 1.213 119 D CA -2.320 51.704 54.000 0.040 0.000 0.870 119 D CB 1.276 42.114 40.800 0.064 0.000 1.076 119 D HN -0.020 nan 8.370 nan 0.000 0.483 120 P HA -0.093 nan 4.420 nan 0.000 0.219 120 P C 0.635 178.199 177.300 0.440 0.000 1.146 120 P CA 0.823 63.995 63.100 0.121 0.000 0.808 120 P CB 0.064 31.698 31.700 -0.110 0.000 0.779 121 F N -1.713 118.367 119.950 0.217 0.000 2.727 121 F HA 0.256 4.782 4.527 -0.001 0.000 0.302 121 F C 1.019 177.130 175.800 0.518 0.000 1.097 121 F CA -1.139 57.029 58.000 0.280 0.000 1.330 121 F CB -1.194 37.878 39.000 0.120 0.000 1.084 121 F HN -0.259 nan 8.300 nan 0.000 0.578 122 L N 0.725 122.269 121.223 0.536 0.000 3.965 122 L HA -0.360 3.980 4.340 -0.001 0.000 0.499 122 L C 1.407 178.581 176.870 0.507 0.000 1.194 122 L CA 0.124 55.154 54.840 0.315 0.000 0.707 122 L CB -1.154 40.999 42.059 0.158 0.000 1.414 122 L HN 0.275 nan 8.230 nan 0.000 0.802 123 R N -0.040 120.708 120.500 0.414 0.000 2.075 123 R HA 0.031 4.370 4.340 -0.001 0.000 0.226 123 R C 0.532 177.088 176.300 0.428 0.000 1.114 123 R CA 0.660 57.048 56.100 0.479 0.000 0.972 123 R CB 0.090 30.594 30.300 0.339 0.000 0.869 123 R HN 0.402 nan 8.270 nan 0.000 0.437 124 E N 0.157 120.468 120.200 0.185 0.000 2.197 124 E HA 0.120 4.469 4.350 -0.001 0.000 0.281 124 E C -1.053 175.470 176.600 -0.128 0.000 0.995 124 E CA -0.147 56.318 56.400 0.109 0.000 0.808 124 E CB 1.047 30.762 29.700 0.024 0.000 1.093 124 E HN 0.021 nan 8.360 nan 0.000 0.394 125 W N 1.349 122.549 121.300 -0.167 0.000 2.736 125 W HA 0.463 5.122 4.660 -0.001 0.000 0.335 125 W C -0.358 175.921 176.519 -0.400 0.000 1.059 125 W CA -0.782 56.383 57.345 -0.299 0.000 1.226 125 W CB 1.410 30.654 29.460 -0.360 0.000 1.416 125 W HN 0.159 nan 8.180 nan 0.000 0.505 126 V N 3.362 123.029 119.914 -0.412 0.000 2.581 126 V HA 0.572 4.691 4.120 -0.001 0.000 0.303 126 V C -0.590 175.094 176.094 -0.685 0.000 1.041 126 V CA -1.074 60.880 62.300 -0.576 0.000 0.907 126 V CB 1.456 32.827 31.823 -0.755 0.000 0.994 126 V HN 0.520 nan 8.190 nan 0.000 0.442 127 K N 3.633 123.752 120.400 -0.468 0.000 2.123 127 K HA 0.416 4.736 4.320 -0.001 0.000 0.259 127 K C -0.802 175.658 176.600 -0.233 0.000 0.960 127 K CA -0.712 55.399 56.287 -0.294 0.000 0.872 127 K CB 1.268 33.672 32.500 -0.162 0.000 1.079 127 K HN 0.871 nan 8.250 nan 0.000 0.440 128 H N 2.766 121.815 119.070 -0.035 0.000 2.886 128 H HA 0.019 4.574 4.556 -0.001 0.000 0.329 128 H C -1.854 173.510 175.328 0.060 0.000 1.044 128 H CA -1.064 55.091 56.048 0.178 0.000 1.456 128 H CB 1.047 30.997 29.762 0.313 0.000 1.464 128 H HN 0.358 nan 8.280 nan 0.000 0.573 129 P HA -0.135 nan 4.420 nan 0.000 0.219 129 P C 0.272 177.606 177.300 0.057 0.000 1.146 129 P CA 1.561 64.602 63.100 -0.099 0.000 0.808 129 P CB 0.259 31.864 31.700 -0.159 0.000 0.779 130 K N -1.154 119.428 120.400 0.304 0.000 2.437 130 K HA 0.097 4.417 4.320 -0.001 0.000 0.198 130 K C 0.141 176.846 176.600 0.175 0.000 1.024 130 K CA -0.212 56.240 56.287 0.275 0.000 1.148 130 K CB -0.276 32.420 32.500 0.327 0.000 0.860 130 K HN 0.158 nan 8.250 nan 0.000 0.515 131 N N 3.036 121.824 118.700 0.146 0.000 2.454 131 N HA 0.043 4.782 4.740 -0.001 0.000 0.254 131 N C -2.389 173.118 175.510 -0.006 0.000 1.228 131 N CA -0.987 52.079 53.050 0.027 0.000 0.900 131 N CB 0.351 38.825 38.487 -0.021 0.000 1.089 131 N HN 0.088 nan 8.380 nan 0.000 0.449 132 P HA 0.111 nan 4.420 nan 0.000 0.279 132 P C 0.432 177.698 177.300 -0.056 0.000 1.239 132 P CA -0.433 62.621 63.100 -0.076 0.000 0.789 132 P CB 1.098 32.753 31.700 -0.075 0.000 0.933 133 L N 2.640 123.805 121.223 -0.096 0.000 2.270 133 L HA 0.192 4.531 4.340 -0.001 0.000 0.210 133 L C 1.095 177.929 176.870 -0.060 0.000 1.104 133 L CA 1.233 56.037 54.840 -0.059 0.000 0.804 133 L CB -0.395 41.619 42.059 -0.075 0.000 0.937 133 L HN 0.402 nan 8.230 nan 0.000 0.450 134 I N -1.368 119.122 120.570 -0.132 0.000 2.607 134 I HA 0.308 4.477 4.170 -0.001 0.000 0.290 134 I C -0.405 175.722 176.117 0.018 0.000 1.129 134 I CA -0.490 60.744 61.300 -0.111 0.000 1.042 134 I CB 2.145 39.926 38.000 -0.365 0.000 1.242 134 I HN -0.074 nan 8.210 nan 0.000 0.421 135 T N 2.020 116.587 114.554 0.023 0.000 2.930 135 T HA 0.604 4.954 4.350 -0.001 0.000 0.290 135 T C -2.848 171.670 174.700 -0.303 0.000 1.052 135 T CA -2.537 59.559 62.100 -0.007 0.000 1.017 135 T CB 1.689 70.529 68.868 -0.046 0.000 1.137 135 T HN 0.138 nan 8.240 nan 0.000 0.511 136 P HA 0.183 nan 4.420 nan 0.000 0.263 136 P C -2.310 174.564 177.300 -0.710 0.000 1.175 136 P CA -0.474 62.028 63.100 -0.997 0.000 0.761 136 P CB -0.604 30.846 31.700 -0.416 0.000 0.794 137 P HA -0.040 nan 4.420 nan 0.000 0.271 137 P C 1.026 178.129 177.300 -0.328 0.000 1.244 137 P CA -0.086 62.703 63.100 -0.517 0.000 0.793 137 P CB 0.510 31.801 31.700 -0.682 0.000 0.984 138 E N 1.137 121.206 120.200 -0.217 0.000 2.055 138 E HA -0.192 4.158 4.350 -0.001 0.000 0.209 138 E C 1.572 178.102 176.600 -0.118 0.000 1.036 138 E CA 2.407 58.723 56.400 -0.141 0.000 0.849 138 E CB -1.258 28.381 29.700 -0.102 0.000 0.767 138 E HN 0.569 nan 8.360 nan 0.000 0.461 139 G N -0.048 108.691 108.800 -0.102 0.000 3.591 139 G HA2 0.355 4.315 3.960 -0.001 0.000 0.282 139 G HA3 0.355 4.315 3.960 -0.001 0.000 0.282 139 G C -0.666 174.208 174.900 -0.043 0.000 1.238 139 G CA -0.067 44.998 45.100 -0.059 0.000 0.993 139 G HN 0.109 nan 8.290 nan 0.000 0.542 140 V N 0.420 120.279 119.914 -0.092 0.000 2.513 140 V HA 0.315 4.435 4.120 -0.001 0.000 0.299 140 V C 0.185 176.258 176.094 -0.034 0.000 1.035 140 V CA -1.189 61.083 62.300 -0.047 0.000 0.889 140 V CB 1.938 33.682 31.823 -0.133 0.000 0.988 140 V HN 0.231 nan 8.190 nan 0.000 0.440 141 K N 2.077 122.496 120.400 0.032 0.000 2.276 141 K HA 0.122 4.442 4.320 -0.001 0.000 0.259 141 K C 0.397 177.036 176.600 0.065 0.000 1.001 141 K CA -0.419 55.894 56.287 0.043 0.000 0.927 141 K CB 0.502 33.040 32.500 0.063 0.000 0.969 141 K HN 0.573 nan 8.250 nan 0.000 0.490 142 D N 1.463 121.902 120.400 0.064 0.000 2.309 142 D HA -0.128 4.511 4.640 -0.001 0.000 0.212 142 D C 0.521 176.917 176.300 0.160 0.000 0.968 142 D CA 1.275 55.332 54.000 0.095 0.000 0.882 142 D CB -0.003 40.843 40.800 0.076 0.000 0.918 142 D HN 0.536 nan 8.370 nan 0.000 0.503 143 D N -1.020 119.472 120.400 0.154 0.000 2.593 143 D HA 0.048 4.688 4.640 -0.001 0.000 0.241 143 D C -0.056 176.348 176.300 0.173 0.000 1.257 143 D CA -0.376 53.731 54.000 0.178 0.000 0.828 143 D CB -0.781 40.105 40.800 0.144 0.000 1.049 143 D HN -0.029 nan 8.370 nan 0.000 0.490 144 C N 0.637 120.066 119.300 0.215 0.000 3.025 144 C HA 0.423 4.883 4.460 -0.001 0.000 0.240 144 C C -0.873 174.352 174.990 0.391 0.000 2.061 144 C CA -0.796 58.367 59.018 0.242 0.000 1.571 144 C CB -1.247 26.610 27.740 0.195 0.000 3.075 144 C HN 0.341 nan 8.230 nan 0.000 0.479 145 F N 3.403 123.455 119.950 0.170 0.000 3.034 145 F HA 0.600 5.126 4.527 -0.001 0.000 0.371 145 F C -0.148 175.751 175.800 0.164 0.000 1.233 145 F CA -0.570 57.541 58.000 0.186 0.000 1.134 145 F CB 0.305 39.366 39.000 0.102 0.000 1.495 145 F HN 0.461 nan 8.300 nan 0.000 0.563 146 R N 2.447 122.905 120.500 -0.070 0.000 2.762 146 R HA 0.528 4.868 4.340 -0.001 0.000 0.271 146 R C -1.641 174.631 176.300 -0.046 0.000 1.038 146 R CA -0.894 55.160 56.100 -0.077 0.000 0.906 146 R CB 0.945 31.306 30.300 0.101 0.000 1.259 146 R HN 0.222 nan 8.270 nan 0.000 0.457 147 D N 0.383 120.789 120.400 0.010 0.000 2.990 147 D HA -0.074 4.565 4.640 -0.001 0.000 0.245 147 D C -2.306 174.006 176.300 0.019 0.000 1.120 147 D CA 0.631 54.664 54.000 0.054 0.000 0.838 147 D CB -0.806 40.048 40.800 0.089 0.000 1.000 147 D HN 0.489 nan 8.370 nan 0.000 0.420 148 P HA 0.053 nan 4.420 nan 0.000 0.268 148 P C 0.401 177.728 177.300 0.044 0.000 1.205 148 P CA -0.062 62.987 63.100 -0.084 0.000 0.771 148 P CB 1.007 32.568 31.700 -0.232 0.000 0.858 149 S N 1.635 117.398 115.700 0.105 0.000 2.713 149 S HA 0.325 4.794 4.470 -0.001 0.000 0.277 149 S C 0.230 174.986 174.600 0.259 0.000 1.168 149 S CA -0.459 57.878 58.200 0.228 0.000 0.994 149 S CB -0.184 63.228 63.200 0.355 0.000 1.054 149 S HN 0.397 nan 8.310 nan 0.000 0.555 150 T N 1.712 116.481 114.554 0.358 0.000 2.919 150 T HA 0.529 4.878 4.350 -0.001 0.000 0.302 150 T C 0.419 175.438 174.700 0.532 0.000 1.031 150 T CA 0.184 62.525 62.100 0.402 0.000 1.127 150 T CB 0.360 69.483 68.868 0.423 0.000 0.952 150 T HN 0.929 nan 8.240 nan 0.000 0.540 151 A N 2.819 125.948 122.820 0.516 0.000 2.286 151 A HA 0.710 5.029 4.320 -0.001 0.000 0.286 151 A C -0.688 177.428 177.584 0.886 0.000 1.097 151 A CA -0.891 51.498 52.037 0.587 0.000 0.821 151 A CB 0.409 19.774 19.000 0.609 0.000 1.076 151 A HN 0.956 nan 8.150 nan 0.000 0.490 152 W N 0.533 122.252 121.300 0.698 0.000 2.819 152 W HA 0.612 5.272 4.660 -0.001 0.000 0.337 152 W C -1.562 175.204 176.519 0.411 0.000 1.077 152 W CA -1.193 56.483 57.345 0.551 0.000 1.226 152 W CB 0.955 30.655 29.460 0.400 0.000 1.419 152 W HN 0.493 nan 8.180 nan 0.000 0.502 153 L N 4.514 125.815 121.223 0.130 0.000 2.257 153 L HA 0.716 5.055 4.340 -0.001 0.000 0.290 153 L C 0.556 177.336 176.870 -0.150 0.000 1.044 153 L CA -0.109 54.460 54.840 -0.453 0.000 0.810 153 L CB 0.410 41.846 42.059 -1.038 0.000 1.193 153 L HN 0.780 nan 8.230 nan 0.000 0.425 154 G N 5.133 113.859 108.800 -0.123 0.000 2.634 154 G HA2 0.287 4.247 3.960 -0.001 0.000 0.255 154 G HA3 0.287 4.247 3.960 -0.001 0.000 0.255 154 G C -1.733 173.044 174.900 -0.206 0.000 1.205 154 G CA -0.592 44.444 45.100 -0.106 0.000 0.884 154 G HN 0.684 nan 8.290 nan 0.000 0.549 155 P HA -0.079 nan 4.420 nan 0.000 0.225 155 P C 0.579 177.818 177.300 -0.101 0.000 1.148 155 P CA 1.198 64.188 63.100 -0.182 0.000 0.779 155 P CB 0.191 31.783 31.700 -0.180 0.000 0.780 156 D N -1.206 119.130 120.400 -0.105 0.000 2.319 156 D HA 0.105 4.745 4.640 -0.001 0.000 0.230 156 D C 1.371 177.613 176.300 -0.096 0.000 1.094 156 D CA 0.193 54.149 54.000 -0.074 0.000 0.856 156 D CB -1.070 39.698 40.800 -0.053 0.000 0.915 156 D HN 0.204 nan 8.370 nan 0.000 0.517 157 G N -0.349 108.362 108.800 -0.148 0.000 2.153 157 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.252 157 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.252 157 G C 0.001 174.759 174.900 -0.237 0.000 0.994 157 G CA 0.367 45.348 45.100 -0.199 0.000 0.698 157 G HN 0.397 nan 8.290 nan 0.000 0.521 158 V N -0.103 119.686 119.914 -0.208 0.000 2.435 158 V HA 0.635 4.755 4.120 -0.001 0.000 0.290 158 V C 0.378 176.374 176.094 -0.163 0.000 1.030 158 V CA -0.997 61.214 62.300 -0.149 0.000 0.881 158 V CB 1.162 32.946 31.823 -0.065 0.000 0.983 158 V HN 0.311 nan 8.190 nan 0.000 0.445 159 W N 3.981 125.241 121.300 -0.067 0.000 2.261 159 W HA 0.666 5.326 4.660 -0.001 0.000 0.323 159 W C 0.394 176.856 176.519 -0.095 0.000 1.243 159 W CA -0.269 57.059 57.345 -0.029 0.000 1.210 159 W CB 0.825 30.333 29.460 0.079 0.000 1.149 159 W HN 0.366 nan 8.180 nan 0.000 0.562 160 R N 2.921 123.382 120.500 -0.066 0.000 2.750 160 R HA 0.721 5.060 4.340 -0.001 0.000 0.281 160 R C -0.777 175.083 176.300 -0.734 0.000 0.972 160 R CA -0.809 54.989 56.100 -0.504 0.000 0.912 160 R CB 1.510 31.131 30.300 -1.131 0.000 1.187 160 R HN 0.541 nan 8.270 nan 0.000 0.464 161 I N -1.652 118.670 120.570 -0.414 0.000 3.006 161 I HA 0.779 4.948 4.170 -0.001 0.000 0.306 161 I C -0.905 175.200 176.117 -0.019 0.000 1.250 161 I CA -1.385 59.762 61.300 -0.255 0.000 0.996 161 I CB 2.387 40.194 38.000 -0.321 0.000 1.261 161 I HN 0.353 nan 8.210 nan 0.000 0.442 162 V N 1.670 121.680 119.914 0.160 0.000 2.769 162 V HA 0.858 4.977 4.120 -0.001 0.000 0.312 162 V C -0.591 175.599 176.094 0.159 0.000 1.061 162 V CA -0.726 61.710 62.300 0.227 0.000 0.931 162 V CB 1.549 33.532 31.823 0.266 0.000 1.010 162 V HN 0.644 nan 8.190 nan 0.000 0.433 163 V N 2.489 122.526 119.914 0.206 0.000 2.656 163 V HA 0.812 4.931 4.120 -0.001 0.000 0.307 163 V C 0.882 177.093 176.094 0.196 0.000 1.051 163 V CA 0.160 62.489 62.300 0.047 0.000 0.893 163 V CB 1.672 33.334 31.823 -0.268 0.000 0.999 163 V HN 1.301 nan 8.190 nan 0.000 0.426 164 G N 1.559 110.448 108.800 0.149 0.000 2.537 164 G HA2 0.733 4.693 3.960 -0.001 0.000 0.273 164 G HA3 0.733 4.693 3.960 -0.001 0.000 0.273 164 G C 0.137 175.212 174.900 0.292 0.000 1.189 164 G CA 0.333 45.579 45.100 0.243 0.000 0.881 164 G HN 1.372 nan 8.290 nan 0.000 0.535 165 G N -0.211 108.745 108.800 0.260 0.000 2.360 165 G HA2 0.542 4.501 3.960 -0.001 0.000 0.276 165 G HA3 0.542 4.501 3.960 -0.001 0.000 0.276 165 G C -1.866 173.101 174.900 0.112 0.000 1.256 165 G CA 0.201 45.505 45.100 0.339 0.000 0.890 165 G HN 1.297 nan 8.290 nan 0.000 0.486 166 D N -1.831 118.676 120.400 0.179 0.000 2.706 166 D HA 0.547 5.187 4.640 -0.001 0.000 0.225 166 D C -0.789 175.581 176.300 0.117 0.000 1.241 166 D CA -0.695 53.309 54.000 0.006 0.000 0.784 166 D CB 1.665 42.460 40.800 -0.008 0.000 1.521 166 D HN 0.503 nan 8.370 nan 0.000 0.461 167 R N 1.629 122.152 120.500 0.039 0.000 2.320 167 R HA 0.317 4.657 4.340 -0.001 0.000 0.319 167 R C -0.866 175.440 176.300 0.009 0.000 0.969 167 R CA -0.433 55.711 56.100 0.074 0.000 0.857 167 R CB 0.268 30.628 30.300 0.101 0.000 1.160 167 R HN 0.555 nan 8.270 nan 0.000 0.491 168 D N 3.440 123.851 120.400 0.017 0.000 2.716 168 D HA -0.226 4.414 4.640 -0.001 0.000 0.239 168 D C -0.114 176.178 176.300 -0.012 0.000 1.125 168 D CA 1.331 55.332 54.000 0.002 0.000 0.681 168 D CB -0.913 39.884 40.800 -0.006 0.000 1.070 168 D HN 0.915 nan 8.370 nan 0.000 0.432 169 N N -0.619 118.078 118.700 -0.006 0.000 2.828 169 N HA -0.208 4.531 4.740 -0.001 0.000 0.248 169 N C -1.152 174.319 175.510 -0.065 0.000 1.044 169 N CA 1.239 54.279 53.050 -0.016 0.000 0.851 169 N CB -0.492 37.991 38.487 -0.006 0.000 1.136 169 N HN 0.381 nan 8.380 nan 0.000 0.572 170 N N 0.619 119.257 118.700 -0.104 0.000 2.457 170 N HA 0.359 5.098 4.740 -0.001 0.000 0.250 170 N C 0.449 175.750 175.510 -0.348 0.000 0.982 170 N CA 0.327 53.261 53.050 -0.193 0.000 0.941 170 N CB 1.028 39.414 38.487 -0.168 0.000 1.120 170 N HN 0.372 nan 8.380 nan 0.000 0.505 171 G N 2.241 110.745 108.800 -0.492 0.000 2.287 171 G HA2 0.129 4.089 3.960 -0.001 0.000 0.235 171 G HA3 0.129 4.089 3.960 -0.001 0.000 0.235 171 G C 0.041 174.037 174.900 -1.507 0.000 1.258 171 G CA 0.018 44.486 45.100 -1.052 0.000 0.884 171 G HN 0.380 nan 8.290 nan 0.000 0.518 172 M N 0.844 119.631 119.600 -1.355 0.000 2.501 172 M HA 0.498 4.977 4.480 -0.001 0.000 0.293 172 M C -0.312 175.512 176.300 -0.793 0.000 1.192 172 M CA -0.909 53.661 55.300 -1.217 0.000 0.886 172 M CB 2.421 34.162 32.600 -1.431 0.000 1.710 172 M HN 0.589 nan 8.290 nan 0.000 0.457 173 A N 2.900 125.402 122.820 -0.530 0.000 2.786 173 A HA 0.661 4.980 4.320 -0.001 0.000 0.346 173 A C -0.985 176.563 177.584 -0.059 0.000 1.265 173 A CA -0.469 51.557 52.037 -0.019 0.000 0.858 173 A CB -0.325 18.813 19.000 0.230 0.000 1.118 173 A HN 0.582 nan 8.150 nan 0.000 0.482 174 F N 1.225 121.278 119.950 0.171 0.000 2.578 174 F HA 0.260 4.787 4.527 -0.001 0.000 0.381 174 F C 0.416 176.335 175.800 0.199 0.000 1.069 174 F CA -0.055 58.062 58.000 0.196 0.000 1.231 174 F CB 0.601 39.856 39.000 0.425 0.000 1.086 174 F HN 0.431 nan 8.300 nan 0.000 0.564 175 L N 5.804 127.174 121.223 0.245 0.000 2.275 175 L HA 0.460 4.799 4.340 -0.001 0.000 0.288 175 L C -1.398 175.460 176.870 -0.019 0.000 1.046 175 L CA -0.464 54.467 54.840 0.153 0.000 0.805 175 L CB 0.223 42.347 42.059 0.109 0.000 1.193 175 L HN 0.412 nan 8.230 nan 0.000 0.426 176 Y N 2.918 123.302 120.300 0.140 0.000 2.524 176 Y HA 0.647 5.196 4.550 -0.001 0.000 0.344 176 Y C -0.193 175.885 175.900 0.297 0.000 1.012 176 Y CA -0.621 57.608 58.100 0.216 0.000 1.068 176 Y CB 1.952 40.502 38.460 0.150 0.000 1.249 176 Y HN 0.530 nan 8.280 nan 0.000 0.468 177 Q N 0.896 120.970 119.800 0.458 0.000 2.413 177 Q HA 0.778 5.117 4.340 -0.001 0.000 0.276 177 Q C -1.274 174.775 176.000 0.083 0.000 1.099 177 Q CA -1.047 54.919 55.803 0.272 0.000 0.814 177 Q CB 2.745 31.568 28.738 0.142 0.000 1.379 177 Q HN 0.600 nan 8.270 nan 0.000 0.436 178 S N -0.879 114.694 115.700 -0.212 0.000 2.565 178 S HA 0.348 4.817 4.470 -0.001 0.000 0.274 178 S C -0.259 174.214 174.600 -0.211 0.000 1.144 178 S CA -0.087 57.788 58.200 -0.541 0.000 0.849 178 S CB 1.268 63.400 63.200 -1.779 0.000 1.103 178 S HN 0.744 nan 8.310 nan 0.000 0.455 179 T N -0.474 113.993 114.554 -0.144 0.000 3.018 179 T HA 0.170 4.519 4.350 -0.001 0.000 0.246 179 T C 0.754 175.514 174.700 0.101 0.000 1.026 179 T CA 0.893 63.005 62.100 0.021 0.000 1.081 179 T CB -0.326 68.527 68.868 -0.025 0.000 0.970 179 T HN 0.628 nan 8.240 nan 0.000 0.475 180 D N -0.376 119.995 120.400 -0.050 0.000 2.398 180 D HA 0.159 4.798 4.640 -0.001 0.000 0.210 180 D C 0.784 177.065 176.300 -0.033 0.000 1.094 180 D CA -0.802 53.186 54.000 -0.021 0.000 0.839 180 D CB -0.498 40.264 40.800 -0.064 0.000 0.963 180 D HN 0.261 nan 8.370 nan 0.000 0.506 181 F N -0.365 119.309 119.950 -0.460 0.000 2.871 181 F HA -0.335 4.191 4.527 -0.001 0.000 0.326 181 F C 0.535 176.162 175.800 -0.290 0.000 0.675 181 F CA 0.780 58.461 58.000 -0.532 0.000 1.188 181 F CB -1.134 37.630 39.000 -0.392 0.000 1.567 181 F HN 0.042 nan 8.300 nan 0.000 0.325 182 V N -1.312 118.409 119.914 -0.322 0.000 3.090 182 V HA 0.176 4.295 4.120 -0.001 0.000 0.237 182 V C 0.786 176.753 176.094 -0.210 0.000 1.209 182 V CA 0.918 63.086 62.300 -0.221 0.000 1.209 182 V CB 0.189 31.875 31.823 -0.229 0.000 0.971 182 V HN 0.176 nan 8.190 nan 0.000 0.477 183 N N 0.563 119.074 118.700 -0.314 0.000 2.457 183 N HA 0.262 5.001 4.740 -0.001 0.000 0.250 183 N C -1.560 173.764 175.510 -0.309 0.000 0.982 183 N CA -0.119 52.822 53.050 -0.181 0.000 0.941 183 N CB 1.089 39.506 38.487 -0.115 0.000 1.120 183 N HN 0.304 nan 8.380 nan 0.000 0.505 184 W N 1.582 122.855 121.300 -0.045 0.000 2.606 184 W HA 0.436 5.095 4.660 -0.001 0.000 0.332 184 W C 0.264 176.855 176.519 0.120 0.000 1.052 184 W CA -0.731 56.626 57.345 0.020 0.000 1.223 184 W CB 1.515 30.954 29.460 -0.035 0.000 1.383 184 W HN 0.030 nan 8.180 nan 0.000 0.524 185 K N 2.397 123.026 120.400 0.381 0.000 2.426 185 K HA 0.407 4.726 4.320 -0.001 0.000 0.254 185 K C -0.416 176.309 176.600 0.208 0.000 0.936 185 K CA -1.263 55.176 56.287 0.254 0.000 0.801 185 K CB 2.503 35.078 32.500 0.124 0.000 1.139 185 K HN 0.383 nan 8.250 nan 0.000 0.424 186 R N 2.562 123.076 120.500 0.023 0.000 2.489 186 R HA 0.023 4.363 4.340 -0.001 0.000 0.287 186 R C -0.686 175.518 176.300 -0.161 0.000 1.053 186 R CA -0.154 55.664 56.100 -0.470 0.000 1.036 186 R CB 0.294 30.270 30.300 -0.540 0.000 0.966 186 R HN 0.556 nan 8.270 nan 0.000 0.432 187 Y N 2.961 123.114 120.300 -0.245 0.000 2.379 187 Y HA -0.067 4.483 4.550 -0.001 0.000 0.337 187 Y C 1.124 176.978 175.900 -0.077 0.000 1.238 187 Y CA 0.293 58.339 58.100 -0.091 0.000 1.405 187 Y CB 1.058 39.500 38.460 -0.030 0.000 1.310 187 Y HN 0.827 nan 8.280 nan 0.000 0.569 188 D N 0.656 120.678 120.400 -0.630 0.000 2.116 188 D HA -0.183 4.457 4.640 -0.001 0.000 0.193 188 D C -0.081 176.121 176.300 -0.164 0.000 0.998 188 D CA 1.714 55.482 54.000 -0.387 0.000 0.836 188 D CB 0.229 40.752 40.800 -0.463 0.000 0.951 188 D HN 0.481 nan 8.370 nan 0.000 0.449 189 Q N -0.178 119.580 119.800 -0.071 0.000 2.257 189 Q HA 0.445 4.784 4.340 -0.001 0.000 0.262 189 Q C -2.304 173.840 176.000 0.239 0.000 0.997 189 Q CA -2.115 53.760 55.803 0.120 0.000 0.873 189 Q CB 1.323 30.148 28.738 0.145 0.000 1.312 189 Q HN 0.110 nan 8.270 nan 0.000 0.450 190 P HA 0.040 nan 4.420 nan 0.000 0.272 190 P C 0.602 177.959 177.300 0.095 0.000 1.230 190 P CA -0.393 62.757 63.100 0.083 0.000 0.788 190 P CB 0.632 32.270 31.700 -0.102 0.000 0.949 191 L N 0.841 122.098 121.223 0.057 0.000 2.093 191 L HA 0.056 4.395 4.340 -0.001 0.000 0.208 191 L C 0.657 177.580 176.870 0.089 0.000 1.085 191 L CA 2.031 56.890 54.840 0.031 0.000 0.755 191 L CB -0.379 41.599 42.059 -0.136 0.000 0.904 191 L HN 0.403 nan 8.230 nan 0.000 0.435 192 S N -2.219 113.520 115.700 0.066 0.000 2.611 192 S HA 0.739 5.208 4.470 -0.001 0.000 0.268 192 S C -1.072 173.454 174.600 -0.123 0.000 1.156 192 S CA -0.088 58.207 58.200 0.158 0.000 0.817 192 S CB 1.062 64.496 63.200 0.390 0.000 1.122 192 S HN 0.555 nan 8.310 nan 0.000 0.466 193 S N 0.651 116.262 115.700 -0.148 0.000 2.636 193 S HA 0.905 5.375 4.470 -0.001 0.000 0.266 193 S C -1.235 173.227 174.600 -0.230 0.000 1.147 193 S CA -0.327 57.510 58.200 -0.606 0.000 0.815 193 S CB 0.813 63.734 63.200 -0.466 0.000 1.119 193 S HN 1.949 nan 8.310 nan 0.000 0.470 194 A N 0.623 123.244 122.820 -0.332 0.000 2.540 194 A HA 0.683 5.002 4.320 -0.001 0.000 0.297 194 A C -1.804 175.669 177.584 -0.184 0.000 1.056 194 A CA -0.719 51.259 52.037 -0.098 0.000 0.700 194 A CB 1.064 20.127 19.000 0.104 0.000 1.280 194 A HN 0.703 nan 8.150 nan 0.000 0.398 195 D N 1.521 121.850 120.400 -0.118 0.000 2.382 195 D HA 0.448 5.087 4.640 -0.001 0.000 0.245 195 D C 1.178 177.413 176.300 -0.110 0.000 1.120 195 D CA 1.436 55.371 54.000 -0.109 0.000 0.890 195 D CB 1.099 41.859 40.800 -0.066 0.000 1.201 195 D HN 1.553 nan 8.370 nan 0.000 0.433 196 A N 1.844 124.607 122.820 -0.095 0.000 2.771 196 A HA -0.251 4.069 4.320 -0.001 0.000 0.294 196 A C 1.500 179.037 177.584 -0.080 0.000 1.500 196 A CA 1.886 53.882 52.037 -0.067 0.000 0.829 196 A CB -2.240 16.738 19.000 -0.037 0.000 0.998 196 A HN 0.665 nan 8.150 nan 0.000 0.526 197 T N -3.707 110.754 114.554 -0.156 0.000 3.037 197 T HA 0.488 4.837 4.350 -0.001 0.000 0.251 197 T C 1.926 176.603 174.700 -0.037 0.000 1.079 197 T CA 1.287 63.244 62.100 -0.239 0.000 1.067 197 T CB 0.205 68.608 68.868 -0.775 0.000 0.948 197 T HN 2.608 nan 8.240 nan 0.000 0.496 198 G N 0.959 109.755 108.800 -0.008 0.000 2.685 198 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.387 198 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.387 198 G C -0.364 174.622 174.900 0.143 0.000 1.324 198 G CA -0.628 44.522 45.100 0.084 0.000 0.878 198 G HN 0.503 nan 8.290 nan 0.000 0.527 199 T N 0.920 115.586 114.554 0.187 0.000 2.908 199 T HA 0.281 4.630 4.350 -0.001 0.000 0.301 199 T C -0.048 174.917 174.700 0.443 0.000 1.019 199 T CA 0.734 62.979 62.100 0.242 0.000 1.152 199 T CB 0.264 69.261 68.868 0.214 0.000 0.966 199 T HN 0.481 nan 8.240 nan 0.000 0.540 200 W N 3.403 124.780 121.300 0.128 0.000 2.388 200 W HA 0.322 4.981 4.660 -0.001 0.000 0.308 200 W C 0.653 177.284 176.519 0.188 0.000 1.263 200 W CA -1.043 56.422 57.345 0.199 0.000 1.286 200 W CB -0.274 29.257 29.460 0.118 0.000 1.294 200 W HN 0.659 nan 8.180 nan 0.000 0.493 201 E N 1.737 122.156 120.200 0.364 0.000 2.214 201 E HA 0.284 4.634 4.350 -0.001 0.000 0.274 201 E C -0.008 176.666 176.600 0.123 0.000 0.977 201 E CA -0.665 55.872 56.400 0.228 0.000 0.827 201 E CB 1.286 31.132 29.700 0.243 0.000 1.130 201 E HN 0.361 nan 8.360 nan 0.000 0.394 202 C N 2.557 121.919 119.300 0.104 0.000 3.563 202 C HA -0.102 4.357 4.460 -0.001 0.000 0.284 202 C C -2.147 172.911 174.990 0.113 0.000 1.356 202 C CA -0.889 58.178 59.018 0.081 0.000 2.166 202 C CB -2.634 25.111 27.740 0.009 0.000 1.399 202 C HN 0.552 nan 8.230 nan 0.000 0.583 203 P HA 0.404 nan 4.420 nan 0.000 0.271 203 P C -0.116 177.321 177.300 0.229 0.000 1.218 203 P CA 0.599 63.815 63.100 0.193 0.000 0.780 203 P CB 0.610 32.468 31.700 0.264 0.000 0.901 204 D N 1.234 121.783 120.400 0.249 0.000 2.879 204 D HA 0.535 5.175 4.640 -0.001 0.000 0.236 204 D C -2.011 174.480 176.300 0.319 0.000 1.171 204 D CA -0.408 53.798 54.000 0.343 0.000 0.868 204 D CB 0.892 41.938 40.800 0.411 0.000 1.598 204 D HN 0.077 nan 8.370 nan 0.000 0.497 205 F N 4.966 124.984 119.950 0.114 0.000 2.617 205 F HA 0.527 5.053 4.527 -0.001 0.000 0.325 205 F C -1.780 173.902 175.800 -0.197 0.000 1.179 205 F CA -0.482 57.379 58.000 -0.232 0.000 0.965 205 F CB 0.808 39.582 39.000 -0.378 0.000 1.232 205 F HN 0.334 nan 8.300 nan 0.000 0.461 206 Y N 4.391 124.280 120.300 -0.685 0.000 2.656 206 Y HA 0.813 5.362 4.550 -0.001 0.000 0.334 206 Y C -3.373 172.066 175.900 -0.769 0.000 1.179 206 Y CA -2.907 54.857 58.100 -0.561 0.000 1.050 206 Y CB 1.163 39.497 38.460 -0.211 0.000 1.308 206 Y HN 0.279 nan 8.280 nan 0.000 0.456 207 P HA 0.519 nan 4.420 nan 0.000 0.285 207 P C -1.190 175.998 177.300 -0.186 0.000 1.269 207 P CA -0.579 62.065 63.100 -0.761 0.000 0.844 207 P CB 2.749 33.994 31.700 -0.758 0.000 1.094 208 V N -2.148 117.685 119.914 -0.135 0.000 2.841 208 V HA 0.627 4.747 4.120 -0.001 0.000 0.310 208 V C -2.807 173.295 176.094 0.014 0.000 1.090 208 V CA -2.992 59.320 62.300 0.020 0.000 0.930 208 V CB 2.042 33.921 31.823 0.093 0.000 1.014 208 V HN 0.393 nan 8.190 nan 0.000 0.425 209 P HA 0.390 nan 4.420 nan 0.000 0.286 209 P C -0.363 176.971 177.300 0.057 0.000 1.269 209 P CA -0.299 62.821 63.100 0.034 0.000 0.787 209 P CB 1.393 33.108 31.700 0.025 0.000 0.920 210 L N 3.343 124.595 121.223 0.048 0.000 2.426 210 L HA 0.117 4.456 4.340 -0.001 0.000 0.271 210 L C 1.514 178.411 176.870 0.045 0.000 1.169 210 L CA 0.099 54.973 54.840 0.057 0.000 0.836 210 L CB -0.398 41.690 42.059 0.049 0.000 1.112 210 L HN 0.674 nan 8.230 nan 0.000 0.465 211 N N 1.566 120.299 118.700 0.055 0.000 2.688 211 N HA -0.212 4.528 4.740 -0.001 0.000 0.258 211 N C -0.798 174.716 175.510 0.007 0.000 1.016 211 N CA 0.566 53.636 53.050 0.034 0.000 0.747 211 N CB -0.123 38.377 38.487 0.021 0.000 0.895 211 N HN 0.635 nan 8.380 nan 0.000 0.543 212 S N -1.202 114.502 115.700 0.006 0.000 2.565 212 S HA 0.357 4.827 4.470 -0.001 0.000 0.274 212 S C 0.534 175.055 174.600 -0.131 0.000 1.144 212 S CA 0.121 58.285 58.200 -0.059 0.000 0.849 212 S CB 1.494 64.677 63.200 -0.027 0.000 1.103 212 S HN 0.336 nan 8.310 nan 0.000 0.455 213 T N 0.147 114.492 114.554 -0.349 0.000 3.134 213 T HA 0.378 4.727 4.350 -0.001 0.000 0.260 213 T C 0.357 174.800 174.700 -0.430 0.000 1.027 213 T CA -0.232 61.362 62.100 -0.843 0.000 0.913 213 T CB -0.819 67.255 68.868 -1.323 0.000 1.046 213 T HN 0.523 nan 8.240 nan 0.000 0.553 214 N N 0.101 118.713 118.700 -0.147 0.000 2.413 214 N HA 0.592 5.331 4.740 -0.001 0.000 0.266 214 N C 0.162 175.736 175.510 0.106 0.000 1.238 214 N CA -0.893 52.148 53.050 -0.015 0.000 0.972 214 N CB 0.775 39.267 38.487 0.008 0.000 1.210 214 N HN 0.379 nan 8.380 nan 0.000 0.547 215 G N -0.313 108.597 108.800 0.182 0.000 2.537 215 G HA2 0.696 4.656 3.960 -0.001 0.000 0.323 215 G HA3 0.696 4.656 3.960 -0.001 0.000 0.323 215 G C -1.146 173.864 174.900 0.184 0.000 1.207 215 G CA -0.482 44.762 45.100 0.241 0.000 0.976 215 G HN 0.280 nan 8.290 nan 0.000 0.487 216 L N -0.181 120.989 121.223 -0.089 0.000 2.371 216 L HA 0.342 4.681 4.340 -0.001 0.000 0.262 216 L C -0.520 175.734 176.870 -1.027 0.000 1.006 216 L CA -0.997 53.545 54.840 -0.498 0.000 0.818 216 L CB 2.483 44.410 42.059 -0.221 0.000 1.354 216 L HN 0.618 nan 8.230 nan 0.000 0.415 217 D N -0.030 119.585 120.400 -1.309 0.000 2.423 217 D HA -0.004 4.635 4.640 -0.001 0.000 0.238 217 D C 0.980 177.149 176.300 -0.218 0.000 1.142 217 D CA 0.185 53.693 54.000 -0.820 0.000 0.884 217 D CB 1.248 41.850 40.800 -0.330 0.000 1.199 217 D HN 0.564 nan 8.370 nan 0.000 0.438 218 T N 1.220 115.806 114.554 0.054 0.000 2.849 218 T HA -0.120 4.229 4.350 -0.001 0.000 0.270 218 T C 1.565 176.403 174.700 0.230 0.000 1.066 218 T CA 1.130 63.335 62.100 0.176 0.000 1.130 218 T CB -0.086 69.004 68.868 0.370 0.000 0.864 218 T HN 0.297 nan 8.240 nan 0.000 0.481 219 S N 0.634 116.488 115.700 0.255 0.000 2.593 219 S HA 0.192 4.661 4.470 -0.001 0.000 0.217 219 S C 0.703 175.459 174.600 0.260 0.000 0.966 219 S CA -0.238 58.140 58.200 0.296 0.000 0.914 219 S CB -0.058 63.286 63.200 0.241 0.000 0.776 219 S HN 0.251 nan 8.310 nan 0.000 0.523 220 V N 3.041 123.074 119.914 0.198 0.000 2.686 220 V HA 0.339 4.459 4.120 -0.001 0.000 0.295 220 V C -0.195 176.152 176.094 0.422 0.000 1.055 220 V CA -0.402 62.051 62.300 0.255 0.000 1.050 220 V CB -0.032 31.833 31.823 0.070 0.000 0.984 220 V HN 0.544 nan 8.190 nan 0.000 0.482 221 Y N 1.193 121.585 120.300 0.154 0.000 2.655 221 Y HA 0.963 5.513 4.550 -0.001 0.000 0.336 221 Y C -0.044 175.936 175.900 0.133 0.000 1.154 221 Y CA -0.448 57.784 58.100 0.220 0.000 1.055 221 Y CB 2.099 40.694 38.460 0.225 0.000 1.295 221 Y HN 1.027 nan 8.280 nan 0.000 0.465 222 G N -0.481 108.294 108.800 -0.041 0.000 2.369 222 G HA2 0.313 4.272 3.960 -0.001 0.000 0.307 222 G HA3 0.313 4.272 3.960 -0.001 0.000 0.307 222 G C 0.153 175.042 174.900 -0.019 0.000 1.327 222 G CA -0.314 44.684 45.100 -0.171 0.000 0.963 222 G HN 1.320 nan 8.290 nan 0.000 0.590 223 G N -0.517 108.262 108.800 -0.035 0.000 2.448 223 G HA2 0.227 4.186 3.960 -0.001 0.000 0.218 223 G HA3 0.227 4.186 3.960 -0.001 0.000 0.218 223 G C 1.663 176.574 174.900 0.018 0.000 1.135 223 G CA 1.994 47.097 45.100 0.005 0.000 0.784 223 G HN 1.820 nan 8.290 nan 0.000 0.543 224 S N -0.411 115.291 115.700 0.004 0.000 2.679 224 S HA 0.504 4.973 4.470 -0.001 0.000 0.233 224 S C -0.032 174.583 174.600 0.026 0.000 0.951 224 S CA -0.475 57.733 58.200 0.013 0.000 0.973 224 S CB 0.374 63.574 63.200 -0.001 0.000 0.778 224 S HN -0.017 nan 8.310 nan 0.000 0.477 225 V N 1.483 121.425 119.914 0.047 0.000 2.841 225 V HA 0.628 4.747 4.120 -0.001 0.000 0.310 225 V C -0.610 175.552 176.094 0.115 0.000 1.090 225 V CA -0.855 61.481 62.300 0.060 0.000 0.930 225 V CB 2.134 33.995 31.823 0.063 0.000 1.014 225 V HN 0.259 nan 8.190 nan 0.000 0.425 226 R N 1.051 121.600 120.500 0.081 0.000 2.803 226 R HA 0.638 4.977 4.340 -0.001 0.000 0.276 226 R C -1.265 175.059 176.300 0.040 0.000 0.978 226 R CA -0.907 55.276 56.100 0.140 0.000 0.939 226 R CB 1.960 32.327 30.300 0.110 0.000 1.179 226 R HN 0.776 nan 8.270 nan 0.000 0.472 227 H N -0.807 118.277 119.070 0.024 0.000 2.573 227 H HA 0.502 5.057 4.556 -0.001 0.000 0.351 227 H C -0.515 174.673 175.328 -0.234 0.000 1.163 227 H CA -0.467 55.431 56.048 -0.249 0.000 1.205 227 H CB 1.742 31.246 29.762 -0.430 0.000 1.605 227 H HN 0.067 nan 8.280 nan 0.000 0.525 228 V N 3.264 122.806 119.914 -0.620 0.000 2.417 228 V HA 0.234 4.354 4.120 -0.001 0.000 0.291 228 V C -0.349 175.381 176.094 -0.608 0.000 1.024 228 V CA -0.774 61.197 62.300 -0.549 0.000 0.861 228 V CB 1.273 32.565 31.823 -0.884 0.000 0.985 228 V HN 0.646 nan 8.190 nan 0.000 0.436 229 M N 6.639 126.085 119.600 -0.256 0.000 2.101 229 M HA 0.505 4.984 4.480 -0.001 0.000 0.340 229 M C -0.776 175.505 176.300 -0.032 0.000 1.057 229 M CA -0.101 55.114 55.300 -0.142 0.000 0.984 229 M CB 0.791 33.188 32.600 -0.339 0.000 1.560 229 M HN 0.573 nan 8.290 nan 0.000 0.435 230 K N 4.084 124.478 120.400 -0.010 0.000 2.259 230 K HA 0.946 5.266 4.320 -0.001 0.000 0.252 230 K C -2.163 174.402 176.600 -0.058 0.000 0.936 230 K CA -0.328 55.956 56.287 -0.006 0.000 0.810 230 K CB 1.794 34.342 32.500 0.081 0.000 1.143 230 K HN 0.820 nan 8.250 nan 0.000 0.427 231 A N 1.916 124.640 122.820 -0.160 0.000 2.574 231 A HA 0.660 4.979 4.320 -0.001 0.000 0.297 231 A C -0.853 176.656 177.584 -0.125 0.000 1.062 231 A CA -0.505 51.402 52.037 -0.216 0.000 0.686 231 A CB 1.592 20.124 19.000 -0.779 0.000 1.285 231 A HN 0.666 nan 8.150 nan 0.000 0.403 232 G N 0.235 109.014 108.800 -0.034 0.000 2.343 232 G HA2 0.821 4.780 3.960 -0.001 0.000 0.319 232 G HA3 0.821 4.780 3.960 -0.001 0.000 0.319 232 G C -0.770 174.348 174.900 0.363 0.000 1.126 232 G CA -0.354 44.751 45.100 0.009 0.000 0.889 232 G HN 1.766 nan 8.290 nan 0.000 0.457 233 F N -1.178 119.048 119.950 0.461 0.000 2.725 233 F HA 0.543 5.069 4.527 -0.001 0.000 0.309 233 F C 0.101 176.164 175.800 0.439 0.000 1.132 233 F CA -1.462 56.775 58.000 0.395 0.000 0.957 233 F CB 0.760 39.942 39.000 0.303 0.000 1.286 233 F HN 0.647 nan 8.300 nan 0.000 0.440 234 E N 0.925 121.426 120.200 0.502 0.000 2.586 234 E HA -0.125 4.224 4.350 -0.001 0.000 0.259 234 E C 1.163 177.801 176.600 0.063 0.000 1.107 234 E CA 1.139 57.728 56.400 0.316 0.000 0.754 234 E CB -1.640 28.330 29.700 0.450 0.000 1.335 234 E HN 2.008 nan 8.360 nan 0.000 0.411 235 G N -0.678 108.063 108.800 -0.098 0.000 2.179 235 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.260 235 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.260 235 G C -0.024 174.468 174.900 -0.680 0.000 0.977 235 G CA 0.875 45.661 45.100 -0.523 0.000 0.641 235 G HN 0.576 nan 8.290 nan 0.000 0.533 236 H N -0.672 118.437 119.070 0.066 0.000 2.949 236 H HA 0.594 5.149 4.556 -0.001 0.000 0.356 236 H C -1.450 173.644 175.328 -0.390 0.000 1.212 236 H CA -1.021 54.900 56.048 -0.211 0.000 1.136 236 H CB 1.473 30.776 29.762 -0.764 0.000 1.869 236 H HN 0.046 nan 8.280 nan 0.000 0.556 237 D N 1.080 121.253 120.400 -0.380 0.000 2.317 237 D HA 0.151 4.790 4.640 -0.001 0.000 0.234 237 D C -0.979 174.894 176.300 -0.711 0.000 1.112 237 D CA -0.208 53.554 54.000 -0.397 0.000 0.840 237 D CB 0.594 41.365 40.800 -0.049 0.000 1.078 237 D HN 0.230 nan 8.370 nan 0.000 0.486 238 W N 2.654 123.735 121.300 -0.365 0.000 2.719 238 W HA 0.557 5.216 4.660 -0.001 0.000 0.352 238 W C -0.308 176.035 176.519 -0.294 0.000 1.085 238 W CA -1.077 56.035 57.345 -0.388 0.000 1.187 238 W CB 0.734 29.929 29.460 -0.443 0.000 1.417 238 W HN 0.286 nan 8.180 nan 0.000 0.557 239 Y N -1.454 118.789 120.300 -0.096 0.000 2.609 239 Y HA 0.802 5.351 4.550 -0.001 0.000 0.336 239 Y C -1.082 174.819 175.900 0.002 0.000 1.129 239 Y CA -1.641 56.372 58.100 -0.145 0.000 1.040 239 Y CB 1.655 39.890 38.460 -0.375 0.000 1.310 239 Y HN 0.450 nan 8.280 nan 0.000 0.460 240 T N 2.922 117.644 114.554 0.279 0.000 2.993 240 T HA 0.646 4.995 4.350 -0.001 0.000 0.312 240 T C -1.416 173.542 174.700 0.429 0.000 1.115 240 T CA -0.567 61.699 62.100 0.277 0.000 1.027 240 T CB 0.758 69.792 68.868 0.276 0.000 1.116 240 T HN 0.742 nan 8.240 nan 0.000 0.464 241 I N 3.645 124.428 120.570 0.355 0.000 2.440 241 I HA 0.695 4.865 4.170 -0.001 0.000 0.294 241 I C 1.044 177.324 176.117 0.272 0.000 0.995 241 I CA -0.139 61.350 61.300 0.315 0.000 1.306 241 I CB 1.480 39.619 38.000 0.231 0.000 1.407 241 I HN 0.862 nan 8.210 nan 0.000 0.501 242 G N 3.315 112.304 108.800 0.315 0.000 2.634 242 G HA2 0.469 4.428 3.960 -0.001 0.000 0.309 242 G HA3 0.469 4.428 3.960 -0.001 0.000 0.309 242 G C -1.459 173.539 174.900 0.163 0.000 1.299 242 G CA -0.380 44.725 45.100 0.009 0.000 0.798 242 G HN 0.378 nan 8.290 nan 0.000 0.490 243 T N 0.303 114.862 114.554 0.008 0.000 2.824 243 T HA 0.534 4.883 4.350 -0.001 0.000 0.280 243 T C -1.552 173.319 174.700 0.285 0.000 0.995 243 T CA -0.051 62.146 62.100 0.161 0.000 1.009 243 T CB 1.351 70.262 68.868 0.071 0.000 0.955 243 T HN 0.472 nan 8.240 nan 0.000 0.452 244 Y N 1.850 122.245 120.300 0.157 0.000 2.352 244 Y HA 0.558 5.107 4.550 -0.001 0.000 0.339 244 Y C -0.598 175.349 175.900 0.078 0.000 0.992 244 Y CA -1.258 56.916 58.100 0.123 0.000 1.100 244 Y CB 1.423 39.750 38.460 -0.222 0.000 1.192 244 Y HN 0.534 nan 8.280 nan 0.000 0.458 245 S N 9.046 124.531 115.700 -0.359 0.000 2.601 245 S HA 0.258 4.727 4.470 -0.001 0.000 0.312 245 S C -2.147 172.059 174.600 -0.657 0.000 1.107 245 S CA -1.134 56.834 58.200 -0.386 0.000 1.129 245 S CB 1.448 64.579 63.200 -0.115 0.000 0.982 245 S HN 0.616 nan 8.310 nan 0.000 0.469 246 P HA -0.182 nan 4.420 nan 0.000 0.215 246 P C 1.038 178.215 177.300 -0.205 0.000 1.157 246 P CA 1.207 64.016 63.100 -0.486 0.000 0.874 246 P CB 0.103 31.644 31.700 -0.265 0.000 0.790 247 D N 0.115 120.432 120.400 -0.138 0.000 2.160 247 D HA -0.221 4.419 4.640 -0.001 0.000 0.189 247 D C 1.626 177.913 176.300 -0.022 0.000 1.003 247 D CA 1.525 55.493 54.000 -0.052 0.000 0.846 247 D CB -0.631 40.155 40.800 -0.023 0.000 0.949 247 D HN 0.425 nan 8.370 nan 0.000 0.446 248 R N 0.336 120.823 120.500 -0.023 0.000 2.393 248 R HA 0.108 4.447 4.340 -0.001 0.000 0.244 248 R C -0.200 176.119 176.300 0.032 0.000 0.920 248 R CA -0.141 55.987 56.100 0.048 0.000 1.076 248 R CB 0.134 30.471 30.300 0.061 0.000 1.119 248 R HN -0.208 nan 8.270 nan 0.000 0.524 249 E N 1.164 121.315 120.200 -0.082 0.000 2.297 249 E HA -0.227 4.122 4.350 -0.001 0.000 0.228 249 E C -1.224 175.450 176.600 0.123 0.000 1.213 249 E CA 0.936 57.299 56.400 -0.062 0.000 0.712 249 E CB -1.713 27.642 29.700 -0.574 0.000 1.202 249 E HN 0.569 nan 8.360 nan 0.000 0.376 250 N N 0.447 119.235 118.700 0.147 0.000 2.392 250 N HA 0.435 5.174 4.740 -0.001 0.000 0.283 250 N C -1.502 174.224 175.510 0.361 0.000 1.003 250 N CA -0.630 52.545 53.050 0.209 0.000 0.892 250 N CB 0.648 39.206 38.487 0.117 0.000 1.193 250 N HN 0.090 nan 8.380 nan 0.000 0.487 251 F N 4.924 125.004 119.950 0.218 0.000 2.402 251 F HA 0.501 5.027 4.527 -0.001 0.000 0.355 251 F C -1.423 174.489 175.800 0.186 0.000 1.123 251 F CA -1.010 57.147 58.000 0.260 0.000 1.021 251 F CB 0.687 39.832 39.000 0.243 0.000 1.160 251 F HN 0.366 nan 8.300 nan 0.000 0.451 252 L N 9.013 129.960 121.223 -0.460 0.000 2.276 252 L HA 0.503 4.842 4.340 -0.001 0.000 0.286 252 L C -2.440 174.052 176.870 -0.630 0.000 1.024 252 L CA -2.145 52.457 54.840 -0.396 0.000 0.826 252 L CB 1.576 43.542 42.059 -0.154 0.000 1.211 252 L HN 0.461 nan 8.230 nan 0.000 0.422 253 P HA 0.015 nan 4.420 nan 0.000 0.267 253 P C 0.133 177.350 177.300 -0.138 0.000 1.205 253 P CA 0.107 63.027 63.100 -0.300 0.000 0.765 253 P CB 0.736 32.396 31.700 -0.066 0.000 0.828 254 Q N 3.202 122.961 119.800 -0.068 0.000 2.096 254 Q HA -0.243 4.097 4.340 -0.001 0.000 0.204 254 Q C 1.177 177.179 176.000 0.004 0.000 0.982 254 Q CA 1.922 57.718 55.803 -0.012 0.000 0.850 254 Q CB -0.144 28.617 28.738 0.038 0.000 0.901 254 Q HN 0.512 nan 8.270 nan 0.000 0.422 255 N N -1.330 117.381 118.700 0.018 0.000 2.322 255 N HA 0.059 4.798 4.740 -0.001 0.000 0.194 255 N C 0.758 176.277 175.510 0.015 0.000 1.126 255 N CA 0.885 53.949 53.050 0.022 0.000 0.845 255 N CB 0.217 38.725 38.487 0.035 0.000 0.976 255 N HN 0.285 nan 8.380 nan 0.000 0.475 256 G N -0.156 108.644 108.800 0.001 0.000 2.180 256 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.263 256 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.263 256 G C -0.288 174.623 174.900 0.018 0.000 0.989 256 G CA 0.794 45.894 45.100 0.001 0.000 0.692 256 G HN 0.396 nan 8.290 nan 0.000 0.526 257 L N 0.119 121.362 121.223 0.032 0.000 2.352 257 L HA 0.670 5.009 4.340 -0.001 0.000 0.269 257 L C 0.532 177.446 176.870 0.074 0.000 1.034 257 L CA -0.871 53.996 54.840 0.045 0.000 0.806 257 L CB 1.836 43.920 42.059 0.043 0.000 1.244 257 L HN 0.091 nan 8.230 nan 0.000 0.447 258 S N 1.184 116.927 115.700 0.073 0.000 2.565 258 S HA 0.530 4.999 4.470 -0.001 0.000 0.290 258 S C -0.199 174.463 174.600 0.103 0.000 1.150 258 S CA -0.700 57.564 58.200 0.108 0.000 1.058 258 S CB 1.369 64.612 63.200 0.072 0.000 1.032 258 S HN 0.305 nan 8.310 nan 0.000 0.510 259 L N 2.364 123.685 121.223 0.163 0.000 2.490 259 L HA 0.133 4.472 4.340 -0.001 0.000 0.274 259 L C 1.509 178.401 176.870 0.036 0.000 1.201 259 L CA 0.093 55.009 54.840 0.126 0.000 0.869 259 L CB 0.246 42.455 42.059 0.250 0.000 1.123 259 L HN 0.947 nan 8.230 nan 0.000 0.484 260 T N -2.972 111.554 114.554 -0.046 0.000 2.986 260 T HA 0.220 4.570 4.350 -0.001 0.000 0.264 260 T C 1.054 175.655 174.700 -0.165 0.000 0.964 260 T CA 0.277 62.330 62.100 -0.079 0.000 0.895 260 T CB 0.673 69.510 68.868 -0.050 0.000 1.163 260 T HN 0.900 nan 8.240 nan 0.000 0.517 261 G N 1.920 110.413 108.800 -0.513 0.000 2.225 261 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.264 261 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.264 261 G C 0.085 174.640 174.900 -0.575 0.000 1.060 261 G CA 0.379 44.718 45.100 -1.268 0.000 0.833 261 G HN 1.352 nan 8.290 nan 0.000 0.498 262 S N -2.201 113.329 115.700 -0.283 0.000 2.751 262 S HA 0.751 5.220 4.470 -0.001 0.000 0.310 262 S C 1.444 176.132 174.600 0.147 0.000 1.128 262 S CA 0.637 58.845 58.200 0.013 0.000 0.931 262 S CB 1.372 64.580 63.200 0.013 0.000 1.177 262 S HN 1.303 nan 8.310 nan 0.000 0.530 263 T N -0.834 113.817 114.554 0.161 0.000 3.139 263 T HA 0.000 4.350 4.350 -0.001 0.000 0.267 263 T C 1.219 176.008 174.700 0.148 0.000 1.164 263 T CA 0.583 62.793 62.100 0.183 0.000 1.075 263 T CB -0.555 68.405 68.868 0.153 0.000 0.904 263 T HN 0.347 nan 8.240 nan 0.000 0.540 264 L N 0.998 122.285 121.223 0.107 0.000 2.341 264 L HA 0.327 4.667 4.340 -0.001 0.000 0.214 264 L C 0.473 177.392 176.870 0.082 0.000 1.115 264 L CA 0.841 55.725 54.840 0.075 0.000 0.820 264 L CB -0.271 41.813 42.059 0.042 0.000 0.944 264 L HN 0.293 nan 8.230 nan 0.000 0.452 265 D N -1.132 119.339 120.400 0.118 0.000 2.326 265 D HA 0.382 5.022 4.640 -0.001 0.000 0.251 265 D C -0.113 176.288 176.300 0.169 0.000 1.023 265 D CA -0.458 53.618 54.000 0.126 0.000 0.966 265 D CB 1.807 42.678 40.800 0.118 0.000 1.156 265 D HN -0.115 nan 8.370 nan 0.000 0.494 266 L N 0.768 121.963 121.223 -0.046 0.000 2.379 266 L HA 0.493 4.832 4.340 -0.001 0.000 0.269 266 L C 0.731 177.343 176.870 -0.431 0.000 1.084 266 L CA -0.522 54.166 54.840 -0.253 0.000 0.802 266 L CB 0.852 42.507 42.059 -0.673 0.000 1.175 266 L HN 0.082 nan 8.230 nan 0.000 0.448 267 R N 0.296 120.508 120.500 -0.480 0.000 2.837 267 R HA 0.288 4.627 4.340 -0.001 0.000 0.271 267 R C -0.264 175.831 176.300 -0.343 0.000 0.993 267 R CA -0.812 54.881 56.100 -0.678 0.000 0.931 267 R CB 1.474 31.027 30.300 -1.245 0.000 1.206 267 R HN 0.354 nan 8.270 nan 0.000 0.474 268 Y N -0.043 120.142 120.300 -0.191 0.000 2.220 268 Y HA -0.011 4.539 4.550 -0.001 0.000 0.291 268 Y C 0.807 176.380 175.900 -0.545 0.000 1.129 268 Y CA 1.157 59.151 58.100 -0.178 0.000 1.161 268 Y CB 0.378 38.737 38.460 -0.168 0.000 0.997 268 Y HN 0.423 nan 8.280 nan 0.000 0.522 269 D N -2.207 117.782 120.400 -0.684 0.000 2.934 269 D HA 0.103 4.743 4.640 -0.001 0.000 0.230 269 D C -1.118 174.687 176.300 -0.824 0.000 1.204 269 D CA -0.576 52.937 54.000 -0.812 0.000 0.873 269 D CB 1.171 41.133 40.800 -1.398 0.000 1.645 269 D HN 0.021 nan 8.370 nan 0.000 0.502 270 Y N 1.062 121.123 120.300 -0.400 0.000 2.493 270 Y HA 0.312 4.861 4.550 -0.001 0.000 0.275 270 Y C 1.371 176.987 175.900 -0.473 0.000 1.183 270 Y CA -0.166 57.699 58.100 -0.392 0.000 1.258 270 Y CB 1.141 39.438 38.460 -0.272 0.000 1.108 270 Y HN 0.380 nan 8.280 nan 0.000 0.521 271 G N -1.093 107.400 108.800 -0.512 0.000 3.175 271 G HA2 0.192 4.152 3.960 -0.001 0.000 0.153 271 G HA3 0.192 4.152 3.960 -0.001 0.000 0.153 271 G C -0.614 173.865 174.900 -0.702 0.000 1.216 271 G CA -0.559 43.952 45.100 -0.981 0.000 0.943 271 G HN -0.188 nan 8.290 nan 0.000 0.611 272 Q N 0.347 119.812 119.800 -0.558 0.000 2.369 272 Q HA 0.424 4.763 4.340 -0.001 0.000 0.247 272 Q C -1.801 174.155 176.000 -0.074 0.000 1.083 272 Q CA 0.102 55.734 55.803 -0.285 0.000 0.905 272 Q CB 0.624 29.216 28.738 -0.243 0.000 1.305 272 Q HN 0.296 nan 8.270 nan 0.000 0.465 273 F N 3.649 123.460 119.950 -0.232 0.000 2.722 273 F HA 0.324 4.851 4.527 -0.001 0.000 0.336 273 F C -1.910 173.893 175.800 0.005 0.000 1.216 273 F CA -0.798 57.122 58.000 -0.132 0.000 1.065 273 F CB 1.119 40.028 39.000 -0.152 0.000 1.325 273 F HN 0.387 nan 8.300 nan 0.000 0.524 274 Y N 3.694 123.845 120.300 -0.248 0.000 2.597 274 Y HA 0.561 5.111 4.550 -0.001 0.000 0.340 274 Y C 0.168 176.097 175.900 0.048 0.000 1.097 274 Y CA -0.592 57.460 58.100 -0.079 0.000 1.037 274 Y CB 2.283 40.672 38.460 -0.118 0.000 1.305 274 Y HN 0.943 nan 8.280 nan 0.000 0.463 275 A N 1.718 124.172 122.820 -0.611 0.000 2.832 275 A HA -0.170 4.149 4.320 -0.001 0.000 0.280 275 A C 0.264 177.796 177.584 -0.086 0.000 1.464 275 A CA 0.940 52.815 52.037 -0.271 0.000 0.804 275 A CB -2.522 16.523 19.000 0.075 0.000 1.020 275 A HN 1.479 nan 8.150 nan 0.000 0.563 276 S N -0.806 114.839 115.700 -0.092 0.000 2.560 276 S HA 0.515 4.985 4.470 -0.001 0.000 0.284 276 S C -0.181 174.489 174.600 0.116 0.000 1.327 276 S CA 0.546 58.743 58.200 -0.004 0.000 1.055 276 S CB 1.508 64.769 63.200 0.101 0.000 0.868 276 S HN 0.974 nan 8.310 nan 0.000 0.506 277 K N 1.088 121.579 120.400 0.151 0.000 2.501 277 K HA 0.461 4.780 4.320 -0.001 0.000 0.252 277 K C -0.924 175.828 176.600 0.254 0.000 0.934 277 K CA -0.466 55.945 56.287 0.205 0.000 0.797 277 K CB 1.903 34.511 32.500 0.179 0.000 1.270 277 K HN 0.902 nan 8.250 nan 0.000 0.431 278 S N 2.561 118.377 115.700 0.193 0.000 2.664 278 S HA 0.831 5.301 4.470 -0.001 0.000 0.304 278 S C -0.625 174.147 174.600 0.287 0.000 1.099 278 S CA -0.727 57.542 58.200 0.116 0.000 1.003 278 S CB 0.810 63.853 63.200 -0.261 0.000 1.092 278 S HN 0.539 nan 8.310 nan 0.000 0.525 279 F N -1.016 119.008 119.950 0.124 0.000 2.645 279 F HA 0.790 5.317 4.527 -0.001 0.000 0.310 279 F C -1.464 174.478 175.800 0.238 0.000 1.102 279 F CA -1.713 56.417 58.000 0.218 0.000 0.952 279 F CB 0.880 40.060 39.000 0.299 0.000 1.326 279 F HN 0.601 nan 8.300 nan 0.000 0.456 280 F N 2.843 122.908 119.950 0.192 0.000 2.404 280 F HA 0.425 4.951 4.527 -0.001 0.000 0.345 280 F C -0.381 175.539 175.800 0.201 0.000 1.110 280 F CA -0.679 57.363 58.000 0.070 0.000 1.130 280 F CB 0.864 39.949 39.000 0.140 0.000 1.129 280 F HN 0.635 nan 8.300 nan 0.000 0.500 281 D N 5.550 125.526 120.400 -0.707 0.000 2.472 281 D HA 0.105 4.744 4.640 -0.001 0.000 0.234 281 D C 0.458 176.195 176.300 -0.938 0.000 1.088 281 D CA -0.397 53.339 54.000 -0.440 0.000 0.882 281 D CB 0.568 41.283 40.800 -0.142 0.000 1.037 281 D HN 0.682 nan 8.370 nan 0.000 0.520 282 D N 2.478 122.388 120.400 -0.817 0.000 2.348 282 D HA -0.101 4.538 4.640 -0.001 0.000 0.216 282 D C 1.375 177.575 176.300 -0.167 0.000 0.970 282 D CA 0.184 53.880 54.000 -0.507 0.000 0.889 282 D CB 0.077 40.870 40.800 -0.010 0.000 0.912 282 D HN 0.327 nan 8.370 nan 0.000 0.524 283 A N 0.985 123.727 122.820 -0.131 0.000 1.929 283 A HA -0.071 4.249 4.320 -0.001 0.000 0.216 283 A C 2.053 179.618 177.584 -0.031 0.000 1.176 283 A CA 0.887 52.895 52.037 -0.048 0.000 0.628 283 A CB -0.019 18.964 19.000 -0.029 0.000 0.816 283 A HN -0.016 nan 8.150 nan 0.000 0.444 284 K N -0.627 119.743 120.400 -0.051 0.000 2.358 284 K HA 0.128 4.448 4.320 -0.001 0.000 0.200 284 K C -0.294 176.280 176.600 -0.044 0.000 1.030 284 K CA -0.173 56.095 56.287 -0.032 0.000 1.097 284 K CB 0.162 32.655 32.500 -0.012 0.000 0.862 284 K HN 0.469 nan 8.250 nan 0.000 0.534 285 N N 2.434 121.080 118.700 -0.090 0.000 2.714 285 N HA -0.196 4.543 4.740 -0.001 0.000 0.253 285 N C -0.701 174.872 175.510 0.104 0.000 1.024 285 N CA 0.918 54.002 53.050 0.056 0.000 0.726 285 N CB -0.572 37.991 38.487 0.127 0.000 0.908 285 N HN 0.504 nan 8.380 nan 0.000 0.542 286 R N -1.106 119.389 120.500 -0.008 0.000 2.774 286 R HA 0.619 4.958 4.340 -0.001 0.000 0.272 286 R C -0.641 175.662 176.300 0.006 0.000 1.000 286 R CA -1.079 55.046 56.100 0.042 0.000 0.906 286 R CB 1.826 32.114 30.300 -0.020 0.000 1.227 286 R HN 0.117 nan 8.270 nan 0.000 0.468 287 R N 1.701 122.215 120.500 0.023 0.000 2.338 287 R HA 0.442 4.781 4.340 -0.001 0.000 0.317 287 R C -1.262 174.876 176.300 -0.271 0.000 0.968 287 R CA -0.590 55.444 56.100 -0.110 0.000 0.849 287 R CB 1.754 31.998 30.300 -0.094 0.000 1.128 287 R HN 0.482 nan 8.270 nan 0.000 0.448 288 V N 5.911 125.493 119.914 -0.553 0.000 2.483 288 V HA 0.382 4.501 4.120 -0.001 0.000 0.295 288 V C -0.601 175.268 176.094 -0.374 0.000 1.035 288 V CA -0.909 61.064 62.300 -0.545 0.000 0.896 288 V CB 1.491 32.837 31.823 -0.795 0.000 0.986 288 V HN 0.629 nan 8.190 nan 0.000 0.447 289 L N 4.879 125.925 121.223 -0.296 0.000 2.322 289 L HA 0.647 4.986 4.340 -0.001 0.000 0.281 289 L C -1.226 175.551 176.870 -0.154 0.000 1.014 289 L CA -0.039 54.693 54.840 -0.180 0.000 0.815 289 L CB 1.346 43.247 42.059 -0.263 0.000 1.247 289 L HN 0.661 nan 8.230 nan 0.000 0.421 290 W N 4.446 125.740 121.300 -0.010 0.000 2.627 290 W HA 0.822 5.481 4.660 -0.001 0.000 0.339 290 W C -0.461 175.973 176.519 -0.142 0.000 1.058 290 W CA -0.515 56.810 57.345 -0.034 0.000 1.223 290 W CB 2.187 31.712 29.460 0.108 0.000 1.389 290 W HN 0.728 nan 8.180 nan 0.000 0.541 291 A N 2.218 125.062 122.820 0.041 0.000 2.547 291 A HA 0.506 4.825 4.320 -0.001 0.000 0.297 291 A C -2.187 175.331 177.584 -0.112 0.000 1.056 291 A CA -0.748 51.079 52.037 -0.351 0.000 0.688 291 A CB 0.558 18.586 19.000 -1.620 0.000 1.282 291 A HN 0.641 nan 8.150 nan 0.000 0.400 292 W N 3.001 124.168 121.300 -0.221 0.000 2.266 292 W HA 0.534 5.193 4.660 -0.001 0.000 0.317 292 W C -1.266 175.178 176.519 -0.125 0.000 1.310 292 W CA -0.431 56.850 57.345 -0.108 0.000 1.207 292 W CB 0.997 30.429 29.460 -0.048 0.000 1.199 292 W HN 0.413 nan 8.180 nan 0.000 0.544 293 V N 9.953 129.746 119.914 -0.201 0.000 2.304 293 V HA 0.239 4.358 4.120 -0.001 0.000 0.278 293 V C -1.823 173.952 176.094 -0.531 0.000 1.018 293 V CA -1.985 60.098 62.300 -0.361 0.000 0.814 293 V CB 0.800 32.553 31.823 -0.116 0.000 1.021 293 V HN 0.461 nan 8.190 nan 0.000 0.440 294 P HA 0.106 nan 4.420 nan 0.000 0.270 294 P C -0.044 177.122 177.300 -0.224 0.000 1.227 294 P CA -0.124 62.565 63.100 -0.685 0.000 0.788 294 P CB 0.632 31.825 31.700 -0.845 0.000 0.926 295 E N 0.076 120.230 120.200 -0.077 0.000 2.349 295 E HA 0.168 4.517 4.350 -0.001 0.000 0.265 295 E C 0.599 177.207 176.600 0.015 0.000 1.064 295 E CA 0.290 56.704 56.400 0.025 0.000 0.886 295 E CB 0.354 30.040 29.700 -0.024 0.000 1.036 295 E HN 0.458 nan 8.360 nan 0.000 0.413 296 T N -2.754 111.870 114.554 0.118 0.000 3.145 296 T HA 0.080 4.430 4.350 -0.001 0.000 0.281 296 T C 0.084 174.722 174.700 -0.104 0.000 1.003 296 T CA -0.592 61.547 62.100 0.064 0.000 0.901 296 T CB -0.010 68.950 68.868 0.153 0.000 1.112 296 T HN 0.349 nan 8.240 nan 0.000 0.535 297 D N 1.882 122.033 120.400 -0.416 0.000 2.506 297 D HA 0.449 5.088 4.640 -0.001 0.000 0.272 297 D C 0.311 176.415 176.300 -0.326 0.000 1.214 297 D CA -0.565 53.045 54.000 -0.650 0.000 1.067 297 D CB 0.678 40.722 40.800 -1.260 0.000 1.117 297 D HN 0.239 nan 8.370 nan 0.000 0.578 298 S N -1.873 113.660 115.700 -0.278 0.000 2.632 298 S HA 0.081 4.551 4.470 -0.001 0.000 0.267 298 S C 1.093 175.618 174.600 -0.125 0.000 1.276 298 S CA -0.417 57.689 58.200 -0.156 0.000 0.998 298 S CB 1.473 64.598 63.200 -0.125 0.000 0.953 298 S HN 0.639 nan 8.310 nan 0.000 0.547 299 Q N 1.235 120.999 119.800 -0.059 0.000 2.135 299 Q HA -0.137 4.202 4.340 -0.001 0.000 0.204 299 Q C 2.132 178.104 176.000 -0.046 0.000 0.981 299 Q CA 1.674 57.464 55.803 -0.022 0.000 0.856 299 Q CB -0.780 27.959 28.738 0.003 0.000 0.902 299 Q HN 0.955 nan 8.270 nan 0.000 0.425 300 A N 1.028 123.813 122.820 -0.058 0.000 1.933 300 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 300 A C 1.689 179.224 177.584 -0.083 0.000 1.175 300 A CA 1.751 53.754 52.037 -0.057 0.000 0.628 300 A CB -0.580 18.388 19.000 -0.052 0.000 0.814 300 A HN 0.501 nan 8.150 nan 0.000 0.444 301 D N 0.309 120.632 120.400 -0.128 0.000 2.117 301 D HA -0.128 4.512 4.640 -0.001 0.000 0.197 301 D C 1.262 177.441 176.300 -0.202 0.000 0.987 301 D CA 1.415 55.308 54.000 -0.177 0.000 0.829 301 D CB -0.377 40.252 40.800 -0.285 0.000 0.961 301 D HN 0.406 nan 8.370 nan 0.000 0.460 302 D N 0.652 120.935 120.400 -0.195 0.000 2.097 302 D HA -0.083 4.557 4.640 -0.001 0.000 0.195 302 D C 2.347 178.576 176.300 -0.119 0.000 0.989 302 D CA 0.418 54.297 54.000 -0.203 0.000 0.827 302 D CB -0.318 40.436 40.800 -0.076 0.000 0.966 302 D HN 0.274 nan 8.370 nan 0.000 0.456 303 I N 0.974 121.511 120.570 -0.054 0.000 2.286 303 I HA -0.198 3.971 4.170 -0.001 0.000 0.248 303 I C 2.470 178.573 176.117 -0.024 0.000 1.115 303 I CA 0.905 62.194 61.300 -0.019 0.000 1.392 303 I CB -0.084 37.909 38.000 -0.011 0.000 1.065 303 I HN -0.046 nan 8.210 nan 0.000 0.418 304 E N 2.084 122.256 120.200 -0.047 0.000 2.047 304 E HA -0.235 4.115 4.350 -0.001 0.000 0.191 304 E C 2.040 178.627 176.600 -0.021 0.000 0.987 304 E CA 1.517 57.899 56.400 -0.030 0.000 0.799 304 E CB 0.003 29.681 29.700 -0.037 0.000 0.752 304 E HN 0.586 nan 8.360 nan 0.000 0.449 305 K N -1.083 119.272 120.400 -0.075 0.000 2.432 305 K HA 0.048 4.367 4.320 -0.001 0.000 0.196 305 K C 1.265 177.884 176.600 0.031 0.000 1.038 305 K CA 1.003 57.262 56.287 -0.046 0.000 0.986 305 K CB 0.071 32.472 32.500 -0.165 0.000 0.782 305 K HN 0.173 nan 8.250 nan 0.000 0.485 306 G N 1.150 109.951 108.800 0.003 0.000 2.157 306 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.248 306 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.248 306 G C -0.308 174.737 174.900 0.243 0.000 0.979 306 G CA 0.386 45.560 45.100 0.124 0.000 0.650 306 G HN 0.533 nan 8.290 nan 0.000 0.529 307 W N -1.774 119.566 121.300 0.066 0.000 3.066 307 W HA 0.793 5.452 4.660 -0.001 0.000 0.330 307 W C -0.646 175.926 176.519 0.088 0.000 1.253 307 W CA -1.351 56.037 57.345 0.072 0.000 1.187 307 W CB 1.025 30.496 29.460 0.019 0.000 1.434 307 W HN 1.248 nan 8.180 nan 0.000 0.572 308 A N 1.423 124.450 122.820 0.345 0.000 2.540 308 A HA 0.772 5.092 4.320 -0.001 0.000 0.297 308 A C -0.204 177.458 177.584 0.130 0.000 1.056 308 A CA 0.054 52.170 52.037 0.131 0.000 0.700 308 A CB 0.745 19.837 19.000 0.153 0.000 1.280 308 A HN 2.486 nan 8.150 nan 0.000 0.398 309 G N -0.038 108.870 108.800 0.180 0.000 2.907 309 G HA2 0.367 4.326 3.960 -0.001 0.000 0.686 309 G HA3 0.367 4.326 3.960 -0.001 0.000 0.686 309 G C -1.129 173.909 174.900 0.231 0.000 1.115 309 G CA -0.289 44.932 45.100 0.202 0.000 0.760 309 G HN 1.343 nan 8.290 nan 0.000 0.620 310 L N 1.495 122.852 121.223 0.223 0.000 2.303 310 L HA 0.714 5.053 4.340 -0.001 0.000 0.256 310 L C -0.184 176.806 176.870 0.200 0.000 1.034 310 L CA -1.296 53.621 54.840 0.128 0.000 0.832 310 L CB 2.127 44.224 42.059 0.062 0.000 1.403 310 L HN 0.546 nan 8.230 nan 0.000 0.419 311 Q N 0.508 120.426 119.800 0.197 0.000 2.306 311 Q HA 0.420 4.760 4.340 -0.001 0.000 0.265 311 Q C -0.613 175.560 176.000 0.288 0.000 1.022 311 Q CA -0.490 55.459 55.803 0.243 0.000 0.853 311 Q CB 2.266 31.133 28.738 0.216 0.000 1.327 311 Q HN 0.741 nan 8.270 nan 0.000 0.449 312 S N 0.592 116.431 115.700 0.232 0.000 2.600 312 S HA 0.352 4.821 4.470 -0.001 0.000 0.265 312 S C 0.042 174.790 174.600 0.247 0.000 1.325 312 S CA -0.606 57.776 58.200 0.304 0.000 1.002 312 S CB 0.367 63.724 63.200 0.263 0.000 0.921 312 S HN 0.464 nan 8.310 nan 0.000 0.554 313 F N 3.642 123.660 119.950 0.113 0.000 2.495 313 F HA 0.332 4.858 4.527 -0.001 0.000 0.365 313 F C -1.944 173.718 175.800 -0.230 0.000 1.090 313 F CA -2.166 55.743 58.000 -0.151 0.000 1.235 313 F CB 0.282 39.168 39.000 -0.191 0.000 1.119 313 F HN 0.386 nan 8.300 nan 0.000 0.562 314 P HA -0.050 nan 4.420 nan 0.000 0.261 314 P C -1.260 175.737 177.300 -0.504 0.000 1.173 314 P CA 0.389 62.852 63.100 -1.060 0.000 0.760 314 P CB 0.214 31.002 31.700 -1.520 0.000 0.783 315 R N 2.000 122.320 120.500 -0.300 0.000 2.670 315 R HA 0.762 5.101 4.340 -0.001 0.000 0.289 315 R C -0.383 175.847 176.300 -0.117 0.000 0.965 315 R CA -1.234 54.796 56.100 -0.116 0.000 0.899 315 R CB 1.335 31.655 30.300 0.033 0.000 1.173 315 R HN 0.366 nan 8.270 nan 0.000 0.456 316 A N 2.585 125.410 122.820 0.009 0.000 2.445 316 A HA 0.414 4.733 4.320 -0.001 0.000 0.242 316 A C -0.524 177.117 177.584 0.094 0.000 1.075 316 A CA -0.406 51.696 52.037 0.108 0.000 0.777 316 A CB 0.401 19.603 19.000 0.337 0.000 1.013 316 A HN 0.630 nan 8.150 nan 0.000 0.493 317 L N 1.977 123.270 121.223 0.117 0.000 2.436 317 L HA 0.879 5.218 4.340 -0.001 0.000 0.268 317 L C -1.094 175.908 176.870 0.221 0.000 0.974 317 L CA -0.180 54.652 54.840 -0.014 0.000 0.826 317 L CB 1.551 43.537 42.059 -0.122 0.000 1.291 317 L HN 0.984 nan 8.230 nan 0.000 0.406 318 W N 3.777 125.092 121.300 0.026 0.000 2.959 318 W HA 0.636 5.296 4.660 0.000 0.000 0.358 318 W C -1.935 174.615 176.519 0.052 0.000 1.228 318 W CA -1.154 56.212 57.345 0.034 0.000 1.183 318 W CB 0.346 29.816 29.460 0.018 0.000 1.467 318 W HN 0.629 nan 8.180 nan 0.000 0.578 319 I N 2.400 123.158 120.570 0.314 0.000 2.440 319 I HA 0.184 4.354 4.170 -0.001 0.000 0.294 319 I C 0.210 176.490 176.117 0.272 0.000 0.995 319 I CA -0.221 61.197 61.300 0.196 0.000 1.306 319 I CB 0.846 38.943 38.000 0.161 0.000 1.407 319 I HN 0.630 nan 8.210 nan 0.000 0.501 320 D N 4.760 125.259 120.400 0.165 0.000 2.368 320 D HA 0.020 4.659 4.640 -0.001 0.000 0.240 320 D C 1.472 177.868 176.300 0.160 0.000 1.169 320 D CA -0.085 54.020 54.000 0.174 0.000 0.906 320 D CB 0.875 41.745 40.800 0.117 0.000 1.187 320 D HN 0.507 nan 8.370 nan 0.000 0.435 321 R N 2.021 122.607 120.500 0.143 0.000 2.103 321 R HA -0.274 4.066 4.340 -0.001 0.000 0.242 321 R C 1.254 177.604 176.300 0.083 0.000 1.142 321 R CA 1.890 58.050 56.100 0.100 0.000 0.960 321 R CB -1.119 29.227 30.300 0.078 0.000 0.858 321 R HN 0.568 nan 8.270 nan 0.000 0.439 322 N N 0.534 119.284 118.700 0.083 0.000 2.550 322 N HA -0.008 4.731 4.740 -0.001 0.000 0.186 322 N C 1.252 176.810 175.510 0.078 0.000 1.110 322 N CA 1.070 54.164 53.050 0.073 0.000 0.912 322 N CB -0.126 38.403 38.487 0.070 0.000 0.968 322 N HN 0.555 nan 8.380 nan 0.000 0.448 323 G N -0.096 108.760 108.800 0.093 0.000 2.175 323 G HA2 -0.387 3.573 3.960 -0.001 0.000 0.265 323 G HA3 -0.387 3.573 3.960 -0.001 0.000 0.265 323 G C 0.787 175.750 174.900 0.105 0.000 0.979 323 G CA 0.856 46.014 45.100 0.098 0.000 0.663 323 G HN 0.546 nan 8.290 nan 0.000 0.533 324 K N -0.332 120.132 120.400 0.107 0.000 2.353 324 K HA 0.207 4.526 4.320 -0.001 0.000 0.195 324 K C 1.097 177.786 176.600 0.149 0.000 1.031 324 K CA 1.016 57.371 56.287 0.113 0.000 1.079 324 K CB 0.333 32.887 32.500 0.090 0.000 0.857 324 K HN 0.817 nan 8.250 nan 0.000 0.535 325 Q N -0.557 119.345 119.800 0.170 0.000 2.630 325 Q HA 0.348 4.688 4.340 -0.001 0.000 0.295 325 Q C -1.443 174.674 176.000 0.195 0.000 0.944 325 Q CA -1.075 54.872 55.803 0.240 0.000 0.766 325 Q CB 0.820 29.684 28.738 0.211 0.000 1.471 325 Q HN -0.213 nan 8.270 nan 0.000 0.416 326 L N 1.099 122.457 121.223 0.224 0.000 2.399 326 L HA 0.522 4.861 4.340 -0.001 0.000 0.265 326 L C -0.486 176.351 176.870 -0.054 0.000 1.089 326 L CA -0.640 54.214 54.840 0.024 0.000 0.802 326 L CB 1.334 43.316 42.059 -0.128 0.000 1.180 326 L HN 0.640 nan 8.230 nan 0.000 0.454 327 I N 1.682 122.056 120.570 -0.326 0.000 2.569 327 I HA 0.450 4.619 4.170 -0.001 0.000 0.296 327 I C -0.300 175.400 176.117 -0.695 0.000 1.028 327 I CA -0.608 60.374 61.300 -0.529 0.000 1.082 327 I CB 1.870 39.320 38.000 -0.916 0.000 1.264 327 I HN 0.594 nan 8.210 nan 0.000 0.429 328 Q N 4.686 124.278 119.800 -0.346 0.000 2.394 328 Q HA 0.558 4.897 4.340 -0.001 0.000 0.273 328 Q C -1.580 174.480 176.000 0.099 0.000 1.089 328 Q CA -0.649 55.054 55.803 -0.167 0.000 0.812 328 Q CB 3.432 32.196 28.738 0.044 0.000 1.353 328 Q HN 0.641 nan 8.270 nan 0.000 0.438 329 W N 3.324 124.488 121.300 -0.228 0.000 3.800 329 W HA 0.266 4.926 4.660 -0.000 0.000 0.299 329 W C -2.964 173.427 176.519 -0.213 0.000 1.231 329 W CA -1.854 55.315 57.345 -0.293 0.000 1.232 329 W CB 1.716 31.151 29.460 -0.041 0.000 1.291 329 W HN 0.461 nan 8.180 nan 0.000 0.514 330 P HA -0.043 nan 4.420 nan 0.000 0.264 330 P C 0.240 177.502 177.300 -0.064 0.000 1.183 330 P CA 0.473 63.428 63.100 -0.243 0.000 0.763 330 P CB 0.556 32.005 31.700 -0.418 0.000 0.807 331 V N 1.452 121.401 119.914 0.059 0.000 2.720 331 V HA -0.094 4.026 4.120 -0.001 0.000 0.307 331 V C 1.833 177.948 176.094 0.034 0.000 1.071 331 V CA 0.209 62.523 62.300 0.023 0.000 1.199 331 V CB -0.655 31.101 31.823 -0.112 0.000 0.900 331 V HN 0.734 nan 8.190 nan 0.000 0.494 332 E N 1.731 121.940 120.200 0.015 0.000 2.219 332 E HA -0.311 4.038 4.350 -0.001 0.000 0.198 332 E C 1.454 178.014 176.600 -0.066 0.000 0.998 332 E CA 1.848 58.234 56.400 -0.024 0.000 0.818 332 E CB -0.290 29.402 29.700 -0.014 0.000 0.741 332 E HN 0.876 nan 8.360 nan 0.000 0.477 333 E N 0.905 121.078 120.200 -0.046 0.000 2.273 333 E HA -0.134 4.216 4.350 -0.001 0.000 0.198 333 E C 1.860 178.421 176.600 -0.066 0.000 1.002 333 E CA 0.947 57.313 56.400 -0.057 0.000 0.828 333 E CB -0.258 29.402 29.700 -0.066 0.000 0.747 333 E HN 0.461 nan 8.360 nan 0.000 0.491 334 I N 0.723 121.259 120.570 -0.056 0.000 2.454 334 I HA -0.279 3.890 4.170 -0.001 0.000 0.254 334 I C 1.479 177.380 176.117 -0.360 0.000 1.156 334 I CA 1.216 62.360 61.300 -0.261 0.000 1.433 334 I CB 0.056 37.663 38.000 -0.655 0.000 1.082 334 I HN 0.116 nan 8.210 nan 0.000 0.432 335 E N 0.485 120.496 120.200 -0.315 0.000 2.267 335 E HA -0.225 4.124 4.350 -0.001 0.000 0.197 335 E C 1.675 178.080 176.600 -0.325 0.000 0.998 335 E CA 0.759 56.932 56.400 -0.378 0.000 0.830 335 E CB 0.029 29.535 29.700 -0.324 0.000 0.751 335 E HN 0.478 nan 8.360 nan 0.000 0.491 336 E N 0.188 120.249 120.200 -0.232 0.000 2.347 336 E HA -0.105 4.244 4.350 -0.001 0.000 0.196 336 E C 1.809 178.300 176.600 -0.182 0.000 1.008 336 E CA 0.556 56.849 56.400 -0.179 0.000 0.852 336 E CB 0.073 29.696 29.700 -0.129 0.000 0.783 336 E HN 0.398 nan 8.360 nan 0.000 0.505 337 L N 0.202 121.282 121.223 -0.237 0.000 2.492 337 L HA 0.046 4.385 4.340 -0.001 0.000 0.223 337 L C 0.950 177.693 176.870 -0.212 0.000 1.132 337 L CA 0.083 54.790 54.840 -0.222 0.000 0.850 337 L CB -0.020 41.850 42.059 -0.314 0.000 0.966 337 L HN -0.166 nan 8.230 nan 0.000 0.454 338 R N 0.738 121.072 120.500 -0.276 0.000 2.484 338 R HA 0.008 4.348 4.340 -0.001 0.000 0.293 338 R C 0.394 176.655 176.300 -0.065 0.000 1.023 338 R CA -0.080 55.878 56.100 -0.237 0.000 1.037 338 R CB 0.643 30.573 30.300 -0.616 0.000 0.951 338 R HN 0.170 nan 8.270 nan 0.000 0.418 339 Q N 1.850 121.686 119.800 0.060 0.000 3.062 339 Q HA 0.099 4.438 4.340 -0.001 0.000 0.229 339 Q C 0.252 176.346 176.000 0.157 0.000 1.163 339 Q CA 0.015 55.864 55.803 0.077 0.000 0.322 339 Q CB -0.378 28.391 28.738 0.051 0.000 5.731 339 Q HN 0.653 nan 8.270 nan 0.000 0.328 340 N N 1.267 120.037 118.700 0.117 0.000 2.503 340 N HA 0.020 4.760 4.740 -0.001 0.000 0.267 340 N C -0.557 174.998 175.510 0.074 0.000 1.214 340 N CA 0.037 53.140 53.050 0.088 0.000 0.959 340 N CB 1.629 40.134 38.487 0.031 0.000 1.142 340 N HN 0.252 nan 8.380 nan 0.000 0.455 341 Q N 0.725 120.502 119.800 -0.038 0.000 2.342 341 Q HA 0.502 4.841 4.340 -0.001 0.000 0.267 341 Q C -1.698 174.144 176.000 -0.262 0.000 1.038 341 Q CA -0.907 54.703 55.803 -0.322 0.000 0.832 341 Q CB 1.808 30.261 28.738 -0.475 0.000 1.323 341 Q HN 0.499 nan 8.270 nan 0.000 0.448 342 V N 3.568 123.286 119.914 -0.327 0.000 2.531 342 V HA 0.437 4.556 4.120 -0.001 0.000 0.301 342 V C -0.848 175.086 176.094 -0.266 0.000 1.034 342 V CA -0.759 61.412 62.300 -0.215 0.000 0.865 342 V CB 1.841 33.578 31.823 -0.144 0.000 0.995 342 V HN 0.808 nan 8.190 nan 0.000 0.424 343 N N 3.550 122.130 118.700 -0.199 0.000 2.240 343 N HA 0.811 5.551 4.740 -0.001 0.000 0.302 343 N C -1.563 173.876 175.510 -0.118 0.000 1.106 343 N CA -0.531 52.406 53.050 -0.188 0.000 0.778 343 N CB 1.801 40.179 38.487 -0.181 0.000 1.431 343 N HN 0.591 nan 8.380 nan 0.000 0.479 344 L N 1.481 122.640 121.223 -0.107 0.000 2.388 344 L HA 0.558 4.897 4.340 -0.001 0.000 0.264 344 L C -0.842 175.984 176.870 -0.073 0.000 0.998 344 L CA -0.718 54.078 54.840 -0.074 0.000 0.817 344 L CB 2.275 44.298 42.059 -0.060 0.000 1.338 344 L HN 0.477 nan 8.230 nan 0.000 0.414 345 Q N 1.166 120.933 119.800 -0.056 0.000 2.377 345 Q HA 0.254 4.593 4.340 -0.001 0.000 0.279 345 Q C -0.733 175.242 176.000 -0.041 0.000 1.049 345 Q CA -0.995 54.776 55.803 -0.053 0.000 0.825 345 Q CB 2.414 31.123 28.738 -0.047 0.000 1.401 345 Q HN 0.621 nan 8.270 nan 0.000 0.404 346 N N 1.406 120.080 118.700 -0.042 0.000 2.705 346 N HA -0.215 4.524 4.740 -0.001 0.000 0.255 346 N C -1.556 173.938 175.510 -0.026 0.000 1.008 346 N CA 0.847 53.877 53.050 -0.033 0.000 0.742 346 N CB -0.289 38.181 38.487 -0.028 0.000 0.906 346 N HN 0.373 nan 8.380 nan 0.000 0.541 347 K N 0.932 121.316 120.400 -0.027 0.000 2.339 347 K HA 0.403 4.722 4.320 -0.001 0.000 0.264 347 K C -0.729 175.869 176.600 -0.004 0.000 0.986 347 K CA -0.760 55.520 56.287 -0.012 0.000 0.866 347 K CB 0.523 33.019 32.500 -0.007 0.000 1.103 347 K HN 0.181 nan 8.250 nan 0.000 0.441 348 N N 4.336 123.036 118.700 -0.001 0.000 2.520 348 N HA 0.200 4.939 4.740 -0.001 0.000 0.273 348 N C -0.843 174.676 175.510 0.014 0.000 1.155 348 N CA -0.072 52.977 53.050 -0.002 0.000 0.967 348 N CB 0.685 39.166 38.487 -0.009 0.000 1.092 348 N HN 0.519 nan 8.380 nan 0.000 0.457 349 L N 3.550 124.781 121.223 0.013 0.000 2.301 349 L HA 0.274 4.613 4.340 -0.001 0.000 0.278 349 L C 0.711 177.582 176.870 0.000 0.000 1.022 349 L CA -0.819 54.038 54.840 0.029 0.000 0.854 349 L CB 0.845 42.938 42.059 0.057 0.000 1.226 349 L HN 0.398 nan 8.230 nan 0.000 0.429 350 K N 3.104 123.510 120.400 0.009 0.000 2.180 350 K HA 0.389 4.708 4.320 -0.001 0.000 0.251 350 K C -2.547 174.054 176.600 0.001 0.000 1.014 350 K CA -1.609 54.677 56.287 -0.001 0.000 0.913 350 K CB 0.018 32.522 32.500 0.005 0.000 1.008 350 K HN 0.092 nan 8.250 nan 0.000 0.490 351 P HA -0.035 nan 4.420 nan 0.000 0.262 351 P C 0.271 177.577 177.300 0.010 0.000 1.182 351 P CA 1.342 64.440 63.100 -0.005 0.000 0.761 351 P CB 0.486 32.181 31.700 -0.009 0.000 0.795 352 G N 1.987 110.800 108.800 0.021 0.000 2.153 352 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.252 352 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.252 352 G C 0.287 175.215 174.900 0.046 0.000 0.994 352 G CA 0.334 45.453 45.100 0.033 0.000 0.698 352 G HN 0.757 nan 8.290 nan 0.000 0.521 353 S N -1.505 114.233 115.700 0.063 0.000 2.654 353 S HA 0.819 5.289 4.470 -0.001 0.000 0.283 353 S C -0.289 174.387 174.600 0.127 0.000 1.180 353 S CA -0.427 57.817 58.200 0.075 0.000 1.021 353 S CB 3.040 66.280 63.200 0.066 0.000 1.018 353 S HN 1.048 nan 8.310 nan 0.000 0.532 354 V N 2.218 122.200 119.914 0.113 0.000 2.569 354 V HA 0.496 4.615 4.120 -0.001 0.000 0.301 354 V C -1.151 175.059 176.094 0.195 0.000 1.044 354 V CA -0.631 61.758 62.300 0.147 0.000 0.874 354 V CB 1.343 33.158 31.823 -0.013 0.000 1.002 354 V HN 0.888 nan 8.190 nan 0.000 0.424 355 L N 4.397 125.778 121.223 0.264 0.000 2.298 355 L HA 0.611 4.950 4.340 -0.001 0.000 0.284 355 L C 0.016 177.058 176.870 0.286 0.000 1.013 355 L CA 0.032 55.016 54.840 0.239 0.000 0.824 355 L CB 1.537 43.698 42.059 0.170 0.000 1.221 355 L HN 0.819 nan 8.230 nan 0.000 0.418 356 E N 4.919 125.257 120.200 0.231 0.000 2.313 356 E HA 0.281 4.631 4.350 -0.001 0.000 0.276 356 E C -0.935 175.514 176.600 -0.251 0.000 1.031 356 E CA -0.647 55.670 56.400 -0.138 0.000 0.857 356 E CB 0.815 30.308 29.700 -0.345 0.000 1.040 356 E HN 0.544 nan 8.360 nan 0.000 0.408 357 I N 5.762 126.120 120.570 -0.354 0.000 2.291 357 I HA 0.170 4.339 4.170 -0.001 0.000 0.290 357 I C 0.238 176.165 176.117 -0.317 0.000 1.050 357 I CA -0.356 60.813 61.300 -0.219 0.000 1.245 357 I CB 0.011 37.926 38.000 -0.140 0.000 1.405 357 I HN 0.578 nan 8.210 nan 0.000 0.478 358 H N 3.781 122.790 119.070 -0.100 0.000 2.488 358 H HA 0.374 4.929 4.556 -0.001 0.000 0.347 358 H C 1.156 176.433 175.328 -0.086 0.000 1.174 358 H CA 0.474 56.466 56.048 -0.093 0.000 1.307 358 H CB 1.694 31.421 29.762 -0.059 0.000 1.517 358 H HN 0.839 nan 8.280 nan 0.000 0.554 359 G N 1.136 109.964 108.800 0.047 0.000 2.179 359 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.260 359 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.260 359 G C 0.010 174.892 174.900 -0.030 0.000 0.977 359 G CA -0.066 45.036 45.100 0.002 0.000 0.641 359 G HN 0.393 nan 8.290 nan 0.000 0.533 360 I N 0.838 121.374 120.570 -0.057 0.000 2.562 360 I HA 0.652 4.821 4.170 -0.001 0.000 0.301 360 I C 0.877 176.960 176.117 -0.057 0.000 1.003 360 I CA -0.928 60.341 61.300 -0.052 0.000 1.127 360 I CB 1.590 39.553 38.000 -0.063 0.000 1.304 360 I HN 0.293 nan 8.210 nan 0.000 0.446 361 A N 4.535 127.342 122.820 -0.023 0.000 2.666 361 A HA 0.426 4.746 4.320 -0.001 0.000 0.301 361 A C 1.294 178.859 177.584 -0.032 0.000 1.470 361 A CA 0.155 52.179 52.037 -0.021 0.000 1.159 361 A CB -0.288 18.723 19.000 0.019 0.000 1.116 361 A HN 0.913 nan 8.150 nan 0.000 0.548 362 A N 1.877 124.653 122.820 -0.073 0.000 2.131 362 A HA -0.030 4.289 4.320 -0.001 0.000 0.220 362 A C 2.065 179.624 177.584 -0.042 0.000 1.158 362 A CA 1.995 53.995 52.037 -0.063 0.000 0.665 362 A CB -0.136 18.797 19.000 -0.110 0.000 0.795 362 A HN 0.656 nan 8.150 nan 0.000 0.460 363 S N -1.880 113.761 115.700 -0.097 0.000 2.535 363 S HA 0.150 4.619 4.470 -0.001 0.000 0.214 363 S C 0.678 175.119 174.600 -0.265 0.000 0.980 363 S CA 0.058 58.106 58.200 -0.253 0.000 0.907 363 S CB 0.194 63.108 63.200 -0.477 0.000 0.790 363 S HN 0.679 nan 8.310 nan 0.000 0.510 364 Q N 0.562 120.340 119.800 -0.036 0.000 3.412 364 Q HA 0.613 4.953 4.340 -0.001 0.000 0.219 364 Q C -1.319 174.792 176.000 0.184 0.000 0.913 364 Q CA -0.301 55.608 55.803 0.176 0.000 0.722 364 Q CB 0.982 29.872 28.738 0.254 0.000 1.385 364 Q HN 0.337 nan 8.270 nan 0.000 0.461 365 A N 1.709 124.641 122.820 0.188 0.000 2.593 365 A HA 0.699 5.018 4.320 -0.001 0.000 0.290 365 A C -1.815 175.844 177.584 0.125 0.000 1.126 365 A CA -0.628 51.483 52.037 0.124 0.000 0.695 365 A CB 1.971 21.022 19.000 0.085 0.000 1.290 365 A HN 0.452 nan 8.150 nan 0.000 0.414 366 D N 0.653 121.121 120.400 0.114 0.000 2.469 366 D HA 0.527 5.166 4.640 -0.001 0.000 0.251 366 D C -1.441 174.989 176.300 0.216 0.000 1.173 366 D CA 0.020 54.085 54.000 0.108 0.000 0.882 366 D CB 1.418 42.217 40.800 -0.002 0.000 1.129 366 D HN 0.263 nan 8.370 nan 0.000 0.549 367 V N 3.272 123.281 119.914 0.158 0.000 2.495 367 V HA 0.583 4.702 4.120 -0.001 0.000 0.298 367 V C 0.274 176.460 176.094 0.152 0.000 1.031 367 V CA -0.571 61.811 62.300 0.136 0.000 0.871 367 V CB 1.950 33.832 31.823 0.099 0.000 0.988 367 V HN 0.551 nan 8.190 nan 0.000 0.432 368 T N 5.989 120.627 114.554 0.139 0.000 2.841 368 T HA 0.757 5.106 4.350 -0.001 0.000 0.283 368 T C -0.729 174.010 174.700 0.066 0.000 1.000 368 T CA -0.285 61.910 62.100 0.158 0.000 0.977 368 T CB 1.758 70.762 68.868 0.227 0.000 0.979 368 T HN 0.616 nan 8.240 nan 0.000 0.446 369 I N 1.195 121.800 120.570 0.058 0.000 2.827 369 I HA 0.678 4.848 4.170 -0.001 0.000 0.298 369 I C -1.279 174.744 176.117 -0.157 0.000 1.235 369 I CA -0.430 60.803 61.300 -0.112 0.000 1.021 369 I CB 2.131 40.013 38.000 -0.196 0.000 1.259 369 I HN 0.611 nan 8.210 nan 0.000 0.427 370 S N 5.616 121.137 115.700 -0.298 0.000 2.594 370 S HA 0.664 5.133 4.470 -0.001 0.000 0.296 370 S C -1.353 173.041 174.600 -0.342 0.000 1.124 370 S CA -0.370 57.710 58.200 -0.199 0.000 1.011 370 S CB 0.683 63.839 63.200 -0.073 0.000 1.016 370 S HN 0.369 nan 8.310 nan 0.000 0.485 371 F N 3.289 123.243 119.950 0.006 0.000 2.420 371 F HA 0.514 5.041 4.527 -0.001 0.000 0.342 371 F C 0.508 176.229 175.800 -0.131 0.000 1.113 371 F CA -0.693 57.257 58.000 -0.085 0.000 1.059 371 F CB 1.407 40.336 39.000 -0.119 0.000 1.128 371 F HN 0.384 nan 8.300 nan 0.000 0.475 372 K N 4.809 125.223 120.400 0.024 0.000 2.265 372 K HA 0.594 4.914 4.320 -0.001 0.000 0.267 372 K C -1.260 175.283 176.600 -0.096 0.000 0.994 372 K CA -0.419 55.845 56.287 -0.039 0.000 0.860 372 K CB 0.776 33.250 32.500 -0.043 0.000 1.099 372 K HN 0.667 nan 8.250 nan 0.000 0.448 373 L N 3.785 124.936 121.223 -0.121 0.000 2.360 373 L HA 0.439 4.779 4.340 -0.001 0.000 0.271 373 L C -0.025 176.768 176.870 -0.128 0.000 1.057 373 L CA -0.731 54.008 54.840 -0.169 0.000 0.803 373 L CB 1.470 43.420 42.059 -0.183 0.000 1.207 373 L HN 0.737 nan 8.230 nan 0.000 0.445 374 E N 0.196 120.320 120.200 -0.127 0.000 2.266 374 E HA 0.575 4.924 4.350 -0.001 0.000 0.268 374 E C 0.032 176.584 176.600 -0.082 0.000 0.879 374 E CA -0.858 55.488 56.400 -0.090 0.000 0.762 374 E CB 1.986 31.642 29.700 -0.073 0.000 1.199 374 E HN 0.738 nan 8.360 nan 0.000 0.422 375 G N 2.573 111.337 108.800 -0.059 0.000 2.324 375 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.292 375 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.292 375 G C 0.408 175.284 174.900 -0.040 0.000 1.079 375 G CA 0.415 45.493 45.100 -0.036 0.000 1.026 375 G HN 0.554 nan 8.290 nan 0.000 0.506 376 L N -0.311 120.864 121.223 -0.080 0.000 2.083 376 L HA -0.129 4.210 4.340 -0.001 0.000 0.209 376 L C 3.025 179.946 176.870 0.084 0.000 1.083 376 L CA 2.201 56.951 54.840 -0.151 0.000 0.752 376 L CB -0.341 41.444 42.059 -0.456 0.000 0.899 376 L HN 0.713 nan 8.230 nan 0.000 0.433 377 K N -0.606 119.877 120.400 0.139 0.000 2.362 377 K HA -0.186 4.134 4.320 -0.001 0.000 0.202 377 K C 1.223 177.905 176.600 0.137 0.000 1.045 377 K CA 1.158 57.557 56.287 0.187 0.000 0.936 377 K CB -0.204 32.363 32.500 0.112 0.000 0.747 377 K HN 0.261 nan 8.250 nan 0.000 0.467 378 E N 0.981 121.236 120.200 0.092 0.000 2.502 378 E HA 0.104 4.453 4.350 -0.001 0.000 0.194 378 E C 0.359 177.011 176.600 0.086 0.000 1.062 378 E CA 0.332 56.773 56.400 0.069 0.000 0.867 378 E CB 0.067 29.787 29.700 0.033 0.000 0.888 378 E HN 0.436 nan 8.360 nan 0.000 0.510 379 A N 1.761 124.662 122.820 0.134 0.000 2.565 379 A HA -0.054 4.265 4.320 -0.001 0.000 0.237 379 A C 0.209 177.891 177.584 0.164 0.000 1.053 379 A CA 0.026 52.151 52.037 0.146 0.000 0.755 379 A CB -0.117 19.042 19.000 0.265 0.000 0.980 379 A HN 0.051 nan 8.150 nan 0.000 0.506 380 E N 0.964 121.263 120.200 0.165 0.000 2.502 380 E HA 0.176 4.526 4.350 -0.001 0.000 0.261 380 E C -0.449 176.322 176.600 0.284 0.000 0.974 380 E CA 0.048 56.588 56.400 0.233 0.000 0.936 380 E CB 0.469 30.371 29.700 0.337 0.000 0.926 380 E HN 0.407 nan 8.360 nan 0.000 0.459 381 V N 5.156 125.175 119.914 0.174 0.000 2.427 381 V HA 0.178 4.297 4.120 -0.001 0.000 0.268 381 V C -0.316 175.829 176.094 0.086 0.000 1.046 381 V CA -0.103 62.267 62.300 0.117 0.000 0.970 381 V CB 0.238 32.095 31.823 0.058 0.000 1.001 381 V HN 0.381 nan 8.190 nan 0.000 0.476 382 L N 5.048 126.303 121.223 0.052 0.000 2.661 382 L HA 0.458 4.798 4.340 -0.001 0.000 0.263 382 L C -0.745 176.059 176.870 -0.111 0.000 0.956 382 L CA -0.144 54.640 54.840 -0.093 0.000 0.918 382 L CB 1.777 43.622 42.059 -0.357 0.000 1.280 382 L HN 0.659 nan 8.230 nan 0.000 0.416 383 D N 2.513 122.854 120.400 -0.098 0.000 2.390 383 D HA 0.196 4.835 4.640 -0.001 0.000 0.249 383 D C 0.228 176.439 176.300 -0.149 0.000 1.144 383 D CA 0.516 54.454 54.000 -0.103 0.000 0.880 383 D CB 1.523 42.277 40.800 -0.077 0.000 1.182 383 D HN 0.732 nan 8.370 nan 0.000 0.451 384 T N -0.207 114.225 114.554 -0.202 0.000 3.228 384 T HA 0.086 4.435 4.350 -0.001 0.000 0.278 384 T C 1.475 176.010 174.700 -0.275 0.000 1.014 384 T CA -0.397 61.533 62.100 -0.283 0.000 0.904 384 T CB 0.234 68.757 68.868 -0.576 0.000 1.110 384 T HN 0.248 nan 8.240 nan 0.000 0.541 385 T N 2.710 117.162 114.554 -0.170 0.000 2.665 385 T HA -0.001 4.348 4.350 -0.001 0.000 0.268 385 T C 1.336 175.996 174.700 -0.067 0.000 1.035 385 T CA 1.312 63.342 62.100 -0.118 0.000 1.151 385 T CB -0.240 68.582 68.868 -0.076 0.000 0.862 385 T HN 0.427 nan 8.240 nan 0.000 0.438 386 L N 0.621 121.821 121.223 -0.038 0.000 2.766 386 L HA 0.294 4.633 4.340 -0.001 0.000 0.242 386 L C 0.037 176.931 176.870 0.041 0.000 1.136 386 L CA -0.304 54.539 54.840 0.005 0.000 0.933 386 L CB 0.438 42.499 42.059 0.003 0.000 1.241 386 L HN 0.019 nan 8.230 nan 0.000 0.522 387 V N 1.135 121.079 119.914 0.049 0.000 2.673 387 V HA -0.072 4.048 4.120 -0.001 0.000 0.303 387 V C 0.226 176.442 176.094 0.204 0.000 1.046 387 V CA 0.131 62.501 62.300 0.116 0.000 1.126 387 V CB 0.949 32.859 31.823 0.145 0.000 0.934 387 V HN 0.150 nan 8.190 nan 0.000 0.487 388 D N 7.531 128.004 120.400 0.122 0.000 2.380 388 D HA 0.211 4.851 4.640 -0.001 0.000 0.230 388 D C -1.041 175.267 176.300 0.014 0.000 1.154 388 D CA -2.200 51.855 54.000 0.090 0.000 0.859 388 D CB 1.703 42.540 40.800 0.062 0.000 1.045 388 D HN 0.244 nan 8.370 nan 0.000 0.495 389 P HA -0.231 nan 4.420 nan 0.000 0.216 389 P C 1.312 178.466 177.300 -0.244 0.000 1.150 389 P CA 1.149 64.000 63.100 -0.414 0.000 0.843 389 P CB 0.391 31.601 31.700 -0.817 0.000 0.787 390 Q N 0.043 119.761 119.800 -0.136 0.000 2.079 390 Q HA -0.113 4.226 4.340 -0.001 0.000 0.200 390 Q C 2.247 178.205 176.000 -0.070 0.000 0.974 390 Q CA 1.700 57.451 55.803 -0.087 0.000 0.840 390 Q CB -0.585 28.148 28.738 -0.009 0.000 0.898 390 Q HN 0.112 nan 8.270 nan 0.000 0.430 391 A N 0.901 123.700 122.820 -0.035 0.000 1.908 391 A HA -0.192 4.127 4.320 -0.001 0.000 0.218 391 A C 1.996 179.566 177.584 -0.024 0.000 1.181 391 A CA 1.399 53.425 52.037 -0.019 0.000 0.627 391 A CB -0.806 18.197 19.000 0.005 0.000 0.818 391 A HN 0.489 nan 8.150 nan 0.000 0.445 392 L N -0.263 120.941 121.223 -0.031 0.000 2.083 392 L HA -0.158 4.181 4.340 -0.001 0.000 0.209 392 L C 2.417 179.290 176.870 0.005 0.000 1.083 392 L CA 2.034 56.869 54.840 -0.009 0.000 0.752 392 L CB -0.786 41.265 42.059 -0.013 0.000 0.899 392 L HN 0.492 nan 8.230 nan 0.000 0.433 393 c N -0.479 118.093 118.600 -0.047 0.000 2.450 393 c HA -0.045 4.525 4.570 -0.001 0.000 0.279 393 c C 2.505 176.582 174.090 -0.022 0.000 1.335 393 c CA 0.543 56.848 56.329 -0.040 0.000 1.749 393 c CB -1.288 41.126 42.510 -0.161 0.000 1.963 393 c HN 0.590 nan 8.230 nan 0.000 0.501 394 N N 0.592 119.261 118.700 -0.052 0.000 2.331 394 N HA -0.113 4.626 4.740 -0.001 0.000 0.180 394 N C 1.833 177.335 175.510 -0.014 0.000 1.019 394 N CA 0.876 53.895 53.050 -0.051 0.000 0.881 394 N CB -0.289 38.155 38.487 -0.071 0.000 0.972 394 N HN 0.709 nan 8.380 nan 0.000 0.435 395 E N 0.889 121.091 120.200 0.003 0.000 2.122 395 E HA -0.014 4.335 4.350 -0.001 0.000 0.190 395 E C 0.053 176.676 176.600 0.038 0.000 0.977 395 E CA 0.488 56.898 56.400 0.017 0.000 0.820 395 E CB 0.344 30.055 29.700 0.018 0.000 0.770 395 E HN 0.133 nan 8.360 nan 0.000 0.462 396 R N 0.661 121.202 120.500 0.070 0.000 2.402 396 R HA 0.336 4.676 4.340 -0.001 0.000 0.290 396 R C -0.008 176.390 176.300 0.164 0.000 1.321 396 R CA -0.382 55.779 56.100 0.100 0.000 1.283 396 R CB 1.641 32.021 30.300 0.133 0.000 1.111 396 R HN 0.052 nan 8.270 nan 0.000 0.578 397 G N 0.472 109.345 108.800 0.121 0.000 2.494 397 G HA2 0.283 4.242 3.960 -0.001 0.000 0.270 397 G HA3 0.283 4.242 3.960 -0.001 0.000 0.270 397 G C 0.970 175.907 174.900 0.061 0.000 1.423 397 G CA -0.006 45.208 45.100 0.190 0.000 1.055 397 G HN 0.484 nan 8.290 nan 0.000 0.536 398 A N -0.740 122.096 122.820 0.027 0.000 2.076 398 A HA -0.035 4.285 4.320 -0.001 0.000 0.220 398 A C 2.508 179.998 177.584 -0.156 0.000 1.160 398 A CA 2.544 54.451 52.037 -0.217 0.000 0.653 398 A CB -0.636 18.241 19.000 -0.204 0.000 0.801 398 A HN 1.111 nan 8.150 nan 0.000 0.455 399 S N -1.204 114.441 115.700 -0.092 0.000 2.527 399 S HA 0.098 4.567 4.470 -0.001 0.000 0.222 399 S C 1.002 175.571 174.600 -0.051 0.000 0.985 399 S CA 0.593 58.750 58.200 -0.071 0.000 0.921 399 S CB -0.402 62.764 63.200 -0.055 0.000 0.772 399 S HN 0.394 nan 8.310 nan 0.000 0.529 400 S N 2.438 118.109 115.700 -0.048 0.000 2.411 400 S HA 0.327 4.797 4.470 -0.001 0.000 0.304 400 S C -0.053 174.521 174.600 -0.043 0.000 1.098 400 S CA -0.840 57.346 58.200 -0.023 0.000 1.068 400 S CB -0.087 63.121 63.200 0.014 0.000 1.032 400 S HN 0.419 nan 8.310 nan 0.000 0.511 401 R N 3.452 123.934 120.500 -0.030 0.000 2.347 401 R HA 0.448 4.787 4.340 -0.001 0.000 0.304 401 R C 0.897 177.189 176.300 -0.013 0.000 1.072 401 R CA -0.230 55.850 56.100 -0.033 0.000 0.980 401 R CB 0.881 31.169 30.300 -0.020 0.000 0.986 401 R HN 0.660 nan 8.270 nan 0.000 0.448 402 G N 0.566 109.349 108.800 -0.029 0.000 3.107 402 G HA2 0.477 4.436 3.960 -0.001 0.000 0.232 402 G HA3 0.477 4.436 3.960 -0.001 0.000 0.232 402 G C 0.217 175.110 174.900 -0.011 0.000 1.339 402 G CA -0.049 45.048 45.100 -0.006 0.000 1.033 402 G HN 0.544 nan 8.290 nan 0.000 0.567 403 A N -1.162 121.654 122.820 -0.007 0.000 1.843 403 A HA 0.403 4.723 4.320 -0.001 0.000 0.213 403 A C 0.707 178.283 177.584 -0.013 0.000 1.239 403 A CA 0.884 52.919 52.037 -0.003 0.000 0.606 403 A CB -0.536 18.474 19.000 0.016 0.000 0.903 403 A HN 0.372 nan 8.150 nan 0.000 0.455 404 L N 0.566 121.773 121.223 -0.026 0.000 2.315 404 L HA 0.588 4.927 4.340 -0.001 0.000 0.278 404 L C 0.516 177.401 176.870 0.025 0.000 1.088 404 L CA 0.840 55.698 54.840 0.030 0.000 0.899 404 L CB -0.441 41.625 42.059 0.013 0.000 1.277 404 L HN 0.807 nan 8.230 nan 0.000 0.431 405 G N 4.504 113.363 108.800 0.098 0.000 2.539 405 G HA2 -0.006 3.954 3.960 -0.001 0.000 0.686 405 G HA3 -0.006 3.954 3.960 -0.001 0.000 0.686 405 G C -3.274 171.517 174.900 -0.181 0.000 1.258 405 G CA -1.198 43.830 45.100 -0.120 0.000 0.846 405 G HN 0.258 nan 8.290 nan 0.000 0.647 406 P HA 0.621 nan 4.420 nan 0.000 0.286 406 P C -0.679 176.247 177.300 -0.624 0.000 1.269 406 P CA -0.322 62.375 63.100 -0.672 0.000 0.787 406 P CB 0.407 31.281 31.700 -1.377 0.000 0.920 407 F N 0.697 120.275 119.950 -0.621 0.000 2.561 407 F HA 0.905 5.432 4.527 -0.001 0.000 0.313 407 F C 0.186 175.545 175.800 -0.734 0.000 1.126 407 F CA -0.740 56.728 58.000 -0.887 0.000 0.918 407 F CB 1.591 40.153 39.000 -0.729 0.000 1.199 407 F HN 0.650 nan 8.300 nan 0.000 0.444 408 G N 1.991 110.464 108.800 -0.544 0.000 2.593 408 G HA2 0.403 4.363 3.960 -0.001 0.000 0.103 408 G HA3 0.403 4.363 3.960 -0.001 0.000 0.103 408 G C -2.518 172.628 174.900 0.410 0.000 1.103 408 G CA -0.603 44.576 45.100 0.131 0.000 1.109 408 G HN 0.774 nan 8.290 nan 0.000 0.516 409 L N 0.328 121.864 121.223 0.522 0.000 2.341 409 L HA 0.834 5.173 4.340 -0.001 0.000 0.267 409 L C -0.897 176.265 176.870 0.487 0.000 1.009 409 L CA -0.724 54.419 54.840 0.505 0.000 0.819 409 L CB 1.933 44.189 42.059 0.328 0.000 1.323 409 L HN 0.456 nan 8.230 nan 0.000 0.425 410 L N 4.098 125.550 121.223 0.381 0.000 2.318 410 L HA 0.744 5.084 4.340 -0.001 0.000 0.277 410 L C -0.301 176.720 176.870 0.252 0.000 1.008 410 L CA -0.437 54.531 54.840 0.215 0.000 0.846 410 L CB 1.304 43.429 42.059 0.109 0.000 1.220 410 L HN 0.731 nan 8.230 nan 0.000 0.423 411 A N 3.795 126.725 122.820 0.182 0.000 2.299 411 A HA 0.764 5.084 4.320 -0.001 0.000 0.332 411 A C 0.574 178.261 177.584 0.172 0.000 1.131 411 A CA -0.597 51.537 52.037 0.162 0.000 0.844 411 A CB 1.028 20.102 19.000 0.123 0.000 1.251 411 A HN 0.692 nan 8.150 nan 0.000 0.486 412 M N -1.380 118.329 119.600 0.181 0.000 2.175 412 M HA -0.209 4.271 4.480 -0.001 0.000 0.192 412 M C 0.385 176.927 176.300 0.404 0.000 0.473 412 M CA 1.053 56.515 55.300 0.271 0.000 0.414 412 M CB -2.869 29.832 32.600 0.167 0.000 1.069 412 M HN 1.126 nan 8.290 nan 0.000 0.933 413 A N 0.381 123.389 122.820 0.314 0.000 2.312 413 A HA 0.782 5.101 4.320 -0.001 0.000 0.328 413 A C 0.719 178.189 177.584 -0.190 0.000 1.158 413 A CA 0.052 52.192 52.037 0.172 0.000 0.821 413 A CB 0.936 20.090 19.000 0.258 0.000 1.170 413 A HN 0.666 nan 8.150 nan 0.000 0.490 414 S N 1.134 116.499 115.700 -0.558 0.000 2.632 414 S HA 0.253 4.723 4.470 -0.001 0.000 0.267 414 S C 1.023 175.355 174.600 -0.447 0.000 1.276 414 S CA -0.101 57.538 58.200 -0.935 0.000 0.998 414 S CB 1.095 63.839 63.200 -0.760 0.000 0.953 414 S HN 0.795 nan 8.310 nan 0.000 0.547 415 K N 0.700 120.763 120.400 -0.562 0.000 2.074 415 K HA -0.206 4.113 4.320 -0.001 0.000 0.209 415 K C 0.947 177.377 176.600 -0.283 0.000 1.048 415 K CA 2.092 57.993 56.287 -0.642 0.000 0.926 415 K CB -0.497 31.670 32.500 -0.555 0.000 0.713 415 K HN 0.883 nan 8.250 nan 0.000 0.444 416 D N -0.035 120.225 120.400 -0.234 0.000 2.340 416 D HA -0.062 4.578 4.640 -0.001 0.000 0.220 416 D C 0.638 176.820 176.300 -0.198 0.000 1.039 416 D CA 0.123 54.019 54.000 -0.173 0.000 0.866 416 D CB -0.197 40.531 40.800 -0.121 0.000 0.913 416 D HN 0.307 nan 8.370 nan 0.000 0.523 417 L N -1.611 119.466 121.223 -0.244 0.000 4.232 417 L HA -0.309 4.031 4.340 -0.001 0.000 0.415 417 L C 1.373 178.144 176.870 -0.166 0.000 1.168 417 L CA 0.378 55.064 54.840 -0.256 0.000 0.966 417 L CB -1.240 40.605 42.059 -0.356 0.000 2.052 417 L HN 0.084 nan 8.230 nan 0.000 0.887 418 K N 0.770 121.095 120.400 -0.124 0.000 2.211 418 K HA 0.058 4.377 4.320 -0.001 0.000 0.203 418 K C 0.449 177.035 176.600 -0.022 0.000 1.050 418 K CA 1.314 57.562 56.287 -0.064 0.000 0.945 418 K CB 0.209 32.687 32.500 -0.037 0.000 0.732 418 K HN 0.485 nan 8.250 nan 0.000 0.451 419 E N 0.004 120.200 120.200 -0.007 0.000 2.272 419 E HA 0.233 4.582 4.350 -0.001 0.000 0.269 419 E C -1.255 175.383 176.600 0.063 0.000 0.877 419 E CA -0.693 55.757 56.400 0.082 0.000 0.755 419 E CB 1.960 31.817 29.700 0.262 0.000 1.192 419 E HN 0.161 nan 8.360 nan 0.000 0.422 420 Q N 0.057 119.890 119.800 0.055 0.000 2.527 420 Q HA 0.559 4.898 4.340 -0.001 0.000 0.280 420 Q C -1.545 174.477 176.000 0.037 0.000 0.977 420 Q CA -0.962 54.865 55.803 0.039 0.000 0.837 420 Q CB 1.674 30.367 28.738 -0.075 0.000 1.454 420 Q HN 0.268 nan 8.270 nan 0.000 0.387 421 S N 0.646 116.379 115.700 0.056 0.000 2.596 421 S HA 0.753 5.223 4.470 -0.001 0.000 0.318 421 S C -1.040 173.592 174.600 0.053 0.000 1.097 421 S CA -0.503 57.724 58.200 0.045 0.000 1.080 421 S CB 1.464 64.696 63.200 0.054 0.000 0.991 421 S HN 0.683 nan 8.310 nan 0.000 0.471 422 A N 3.649 126.503 122.820 0.057 0.000 2.249 422 A HA 0.714 5.034 4.320 -0.001 0.000 0.314 422 A C -0.592 177.101 177.584 0.183 0.000 1.290 422 A CA -0.497 51.636 52.037 0.160 0.000 0.893 422 A CB -0.195 18.901 19.000 0.161 0.000 1.165 422 A HN 0.665 nan 8.150 nan 0.000 0.530 423 I N 4.214 124.892 120.570 0.180 0.000 2.330 423 I HA 0.591 4.760 4.170 -0.001 0.000 0.289 423 I C -0.283 175.826 176.117 -0.015 0.000 1.001 423 I CA -0.051 61.215 61.300 -0.057 0.000 1.193 423 I CB 0.320 38.292 38.000 -0.047 0.000 1.345 423 I HN 0.599 nan 8.210 nan 0.000 0.461 424 F N 4.335 124.096 119.950 -0.315 0.000 2.754 424 F HA 0.821 5.347 4.527 -0.001 0.000 0.320 424 F C -1.634 173.639 175.800 -0.877 0.000 1.156 424 F CA -1.625 56.053 58.000 -0.536 0.000 0.950 424 F CB 0.998 39.838 39.000 -0.266 0.000 1.388 424 F HN 0.053 nan 8.300 nan 0.000 0.485 425 F N 0.217 119.991 119.950 -0.293 0.000 2.598 425 F HA 0.852 5.378 4.527 -0.001 0.000 0.327 425 F C -0.276 175.185 175.800 -0.564 0.000 1.057 425 F CA -1.019 56.694 58.000 -0.477 0.000 0.957 425 F CB 2.330 40.923 39.000 -0.678 0.000 1.278 425 F HN 0.353 nan 8.300 nan 0.000 0.484 426 R N 0.466 120.881 120.500 -0.143 0.000 2.698 426 R HA 0.782 5.121 4.340 -0.001 0.000 0.275 426 R C -2.027 174.089 176.300 -0.307 0.000 1.001 426 R CA -1.079 54.844 56.100 -0.295 0.000 0.896 426 R CB 2.638 32.770 30.300 -0.280 0.000 1.218 426 R HN 0.381 nan 8.270 nan 0.000 0.462 427 V N 3.132 122.812 119.914 -0.390 0.000 2.487 427 V HA 0.568 4.688 4.120 -0.001 0.000 0.298 427 V C -0.944 174.944 176.094 -0.344 0.000 1.028 427 V CA -0.589 61.586 62.300 -0.208 0.000 0.860 427 V CB 1.247 33.050 31.823 -0.034 0.000 0.991 427 V HN 0.527 nan 8.190 nan 0.000 0.427 428 F N 2.185 122.255 119.950 0.199 0.000 2.639 428 F HA 0.777 5.303 4.527 -0.001 0.000 0.339 428 F C 0.142 176.062 175.800 0.200 0.000 1.071 428 F CA -0.784 57.320 58.000 0.174 0.000 0.994 428 F CB 1.942 41.023 39.000 0.135 0.000 1.341 428 F HN 0.535 nan 8.300 nan 0.000 0.498 429 Q N 0.566 120.558 119.800 0.319 0.000 2.379 429 Q HA 0.505 4.844 4.340 -0.001 0.000 0.278 429 Q C -1.601 174.408 176.000 0.014 0.000 1.068 429 Q CA -1.181 54.659 55.803 0.063 0.000 0.816 429 Q CB 2.434 31.105 28.738 -0.112 0.000 1.387 429 Q HN 0.653 nan 8.270 nan 0.000 0.413 430 N N 0.894 119.554 118.700 -0.066 0.000 2.431 430 N HA 0.013 4.752 4.740 -0.001 0.000 0.289 430 N C 0.566 176.037 175.510 -0.065 0.000 1.277 430 N CA -0.374 52.641 53.050 -0.059 0.000 0.972 430 N CB 0.294 38.737 38.487 -0.073 0.000 1.143 430 N HN 0.736 nan 8.380 nan 0.000 0.578 431 Q N -1.276 118.493 119.800 -0.052 0.000 2.170 431 Q HA 0.131 4.471 4.340 -0.001 0.000 0.203 431 Q C 1.054 177.020 176.000 -0.057 0.000 0.976 431 Q CA 1.196 56.973 55.803 -0.044 0.000 0.858 431 Q CB -0.239 28.480 28.738 -0.032 0.000 0.907 431 Q HN 0.586 nan 8.270 nan 0.000 0.433 432 L N -1.193 119.988 121.223 -0.070 0.000 2.599 432 L HA 0.242 4.582 4.340 -0.001 0.000 0.230 432 L C 1.213 178.016 176.870 -0.112 0.000 1.141 432 L CA 1.267 56.063 54.840 -0.074 0.000 0.877 432 L CB -1.101 40.920 42.059 -0.063 0.000 1.009 432 L HN 0.454 nan 8.230 nan 0.000 0.447 433 G N 0.096 108.797 108.800 -0.164 0.000 2.141 433 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.242 433 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.242 433 G C 0.487 175.099 174.900 -0.481 0.000 0.982 433 G CA -0.289 44.638 45.100 -0.288 0.000 0.662 433 G HN 0.255 nan 8.290 nan 0.000 0.527 434 R N -0.159 120.145 120.500 -0.326 0.000 2.308 434 R HA 0.465 4.805 4.340 -0.001 0.000 0.305 434 R C -0.265 175.859 176.300 -0.293 0.000 1.053 434 R CA -0.339 55.600 56.100 -0.268 0.000 0.957 434 R CB 0.384 30.614 30.300 -0.117 0.000 1.022 434 R HN 0.289 nan 8.270 nan 0.000 0.461 435 Y N 0.151 120.469 120.300 0.031 0.000 2.320 435 Y HA 0.202 4.751 4.550 -0.001 0.000 0.324 435 Y C 1.059 176.990 175.900 0.053 0.000 1.190 435 Y CA -0.178 57.953 58.100 0.052 0.000 1.215 435 Y CB 1.413 39.901 38.460 0.047 0.000 1.221 435 Y HN 0.529 nan 8.280 nan 0.000 0.486 436 S N 0.631 116.491 115.700 0.268 0.000 2.570 436 S HA 0.866 5.335 4.470 -0.001 0.000 0.286 436 S C -1.564 173.211 174.600 0.291 0.000 1.099 436 S CA -0.822 57.496 58.200 0.198 0.000 0.913 436 S CB 1.589 64.825 63.200 0.060 0.000 1.085 436 S HN 0.349 nan 8.310 nan 0.000 0.480 437 V N 2.549 122.643 119.914 0.300 0.000 2.487 437 V HA 0.588 4.707 4.120 -0.001 0.000 0.298 437 V C -0.834 175.506 176.094 0.409 0.000 1.028 437 V CA -0.683 61.786 62.300 0.282 0.000 0.860 437 V CB 1.306 33.218 31.823 0.149 0.000 0.991 437 V HN 0.911 nan 8.190 nan 0.000 0.427 438 L N 5.637 127.065 121.223 0.341 0.000 2.307 438 L HA 0.698 5.037 4.340 -0.001 0.000 0.284 438 L C -0.428 176.485 176.870 0.072 0.000 1.023 438 L CA -0.131 54.802 54.840 0.156 0.000 0.810 438 L CB 1.396 43.568 42.059 0.189 0.000 1.231 438 L HN 0.792 nan 8.230 nan 0.000 0.423 439 M N 5.418 124.972 119.600 -0.077 0.000 2.227 439 M HA 0.525 5.005 4.480 -0.001 0.000 0.335 439 M C -1.665 174.369 176.300 -0.444 0.000 1.053 439 M CA -0.229 54.928 55.300 -0.239 0.000 0.973 439 M CB 1.035 33.586 32.600 -0.083 0.000 1.623 439 M HN 0.749 nan 8.290 nan 0.000 0.434 440 c N 1.779 119.941 118.600 -0.729 0.000 2.634 440 c HA 0.657 5.226 4.570 -0.001 0.000 0.313 440 c C -0.276 173.379 174.090 -0.725 0.000 1.198 440 c CA -0.670 55.187 56.329 -0.787 0.000 1.605 440 c CB 2.209 43.992 42.510 -1.211 0.000 2.196 440 c HN 0.859 nan 8.230 nan 0.000 0.486 441 S N 1.604 117.053 115.700 -0.418 0.000 2.532 441 S HA 0.208 4.677 4.470 -0.001 0.000 0.256 441 S C -0.815 173.663 174.600 -0.202 0.000 1.298 441 S CA -0.180 57.877 58.200 -0.239 0.000 1.166 441 S CB 0.172 63.336 63.200 -0.061 0.000 1.022 441 S HN 0.831 nan 8.310 nan 0.000 0.480 442 D N 2.912 123.205 120.400 -0.179 0.000 2.352 442 D HA 0.198 4.837 4.640 -0.001 0.000 0.245 442 D C 0.259 176.537 176.300 -0.037 0.000 1.224 442 D CA -0.439 53.525 54.000 -0.059 0.000 0.879 442 D CB 0.619 41.515 40.800 0.159 0.000 1.057 442 D HN 0.170 nan 8.370 nan 0.000 0.491 443 L N 3.148 124.324 121.223 -0.079 0.000 2.693 443 L HA 0.071 4.410 4.340 -0.001 0.000 0.235 443 L C 2.313 179.158 176.870 -0.042 0.000 1.127 443 L CA 0.279 55.088 54.840 -0.052 0.000 0.914 443 L CB -0.779 41.240 42.059 -0.068 0.000 1.193 443 L HN 0.510 nan 8.230 nan 0.000 0.502 444 S N -0.018 115.654 115.700 -0.047 0.000 2.407 444 S HA -0.222 4.248 4.470 -0.001 0.000 0.235 444 S C 1.745 176.334 174.600 -0.019 0.000 1.036 444 S CA 1.218 59.396 58.200 -0.036 0.000 1.013 444 S CB -0.265 62.917 63.200 -0.030 0.000 0.820 444 S HN 0.508 nan 8.310 nan 0.000 0.476 445 R N 0.824 121.317 120.500 -0.012 0.000 2.613 445 R HA 0.275 4.614 4.340 -0.001 0.000 0.361 445 R C 1.643 177.956 176.300 0.023 0.000 1.072 445 R CA 0.543 56.641 56.100 -0.004 0.000 1.089 445 R CB 0.318 30.603 30.300 -0.025 0.000 1.343 445 R HN 0.648 nan 8.270 nan 0.000 0.571 446 S N -0.766 114.952 115.700 0.030 0.000 2.447 446 S HA -0.059 4.411 4.470 -0.001 0.000 0.233 446 S C 0.960 175.618 174.600 0.097 0.000 1.006 446 S CA 0.762 58.998 58.200 0.061 0.000 0.957 446 S CB 0.213 63.437 63.200 0.040 0.000 0.773 446 S HN 0.166 nan 8.310 nan 0.000 0.507 447 T N -0.268 114.333 114.554 0.080 0.000 2.885 447 T HA 0.439 4.789 4.350 -0.001 0.000 0.322 447 T C 0.194 174.936 174.700 0.070 0.000 1.387 447 T CA -0.183 61.975 62.100 0.097 0.000 1.041 447 T CB 1.732 70.658 68.868 0.097 0.000 1.287 447 T HN 0.337 nan 8.240 nan 0.000 0.491 448 V N 1.168 121.129 119.914 0.078 0.000 3.647 448 V HA 0.515 4.634 4.120 -0.001 0.000 0.279 448 V C 0.978 177.096 176.094 0.040 0.000 1.314 448 V CA -0.065 62.267 62.300 0.053 0.000 1.125 448 V CB -0.635 31.223 31.823 0.059 0.000 0.907 448 V HN 0.633 nan 8.190 nan 0.000 0.434 449 R N 1.397 121.923 120.500 0.044 0.000 2.641 449 R HA 0.440 4.780 4.340 -0.001 0.000 0.269 449 R C 0.180 176.479 176.300 -0.003 0.000 1.074 449 R CA 0.104 56.216 56.100 0.021 0.000 1.133 449 R CB 0.860 31.170 30.300 0.017 0.000 1.029 449 R HN 0.457 nan 8.270 nan 0.000 0.488 450 S N 1.667 117.358 115.700 -0.016 0.000 2.672 450 S HA 0.147 4.617 4.470 -0.001 0.000 0.276 450 S C 0.233 174.804 174.600 -0.049 0.000 1.207 450 S CA -0.734 57.451 58.200 -0.025 0.000 1.002 450 S CB 0.792 63.980 63.200 -0.021 0.000 0.998 450 S HN 0.703 nan 8.310 nan 0.000 0.542 451 N N 0.128 118.798 118.700 -0.049 0.000 2.747 451 N HA -0.137 4.602 4.740 -0.001 0.000 0.249 451 N C -1.165 174.285 175.510 -0.099 0.000 1.107 451 N CA 0.627 53.637 53.050 -0.068 0.000 0.707 451 N CB -1.124 37.319 38.487 -0.074 0.000 1.054 451 N HN 0.378 nan 8.380 nan 0.000 0.555 452 I N 0.511 121.033 120.570 -0.080 0.000 2.465 452 I HA 0.162 4.331 4.170 -0.001 0.000 0.291 452 I C 0.454 176.549 176.117 -0.038 0.000 1.014 452 I CA -0.738 60.509 61.300 -0.088 0.000 1.093 452 I CB 1.824 39.790 38.000 -0.057 0.000 1.267 452 I HN -0.120 nan 8.210 nan 0.000 0.431 453 D N 4.902 125.288 120.400 -0.024 0.000 2.359 453 D HA 0.060 4.699 4.640 -0.001 0.000 0.250 453 D C 0.889 177.193 176.300 0.007 0.000 1.264 453 D CA 0.059 54.055 54.000 -0.006 0.000 0.911 453 D CB 0.697 41.502 40.800 0.008 0.000 1.056 453 D HN 0.621 nan 8.370 nan 0.000 0.499 454 T N 0.070 114.611 114.554 -0.021 0.000 3.251 454 T HA 0.119 4.468 4.350 -0.001 0.000 0.259 454 T C 0.676 175.306 174.700 -0.116 0.000 0.998 454 T CA -0.577 61.499 62.100 -0.040 0.000 0.905 454 T CB -0.425 68.427 68.868 -0.027 0.000 1.067 454 T HN 0.155 nan 8.240 nan 0.000 0.569 455 T N 3.053 117.513 114.554 -0.155 0.000 2.946 455 T HA 0.224 4.574 4.350 -0.001 0.000 0.311 455 T C 0.448 174.793 174.700 -0.592 0.000 1.063 455 T CA 0.076 62.005 62.100 -0.286 0.000 1.139 455 T CB 0.678 69.400 68.868 -0.243 0.000 0.994 455 T HN 0.355 nan 8.240 nan 0.000 0.547 456 S N 1.158 116.530 115.700 -0.546 0.000 2.687 456 S HA 0.616 5.085 4.470 -0.001 0.000 0.283 456 S C -1.022 173.077 174.600 -0.834 0.000 1.170 456 S CA -0.647 57.189 58.200 -0.607 0.000 1.008 456 S CB 0.410 63.439 63.200 -0.285 0.000 1.026 456 S HN 0.546 nan 8.310 nan 0.000 0.541 457 Y N -0.429 119.797 120.300 -0.124 0.000 2.536 457 Y HA 0.748 5.297 4.550 -0.001 0.000 0.347 457 Y C 0.599 176.375 175.900 -0.207 0.000 1.000 457 Y CA -0.840 57.178 58.100 -0.137 0.000 1.051 457 Y CB 2.042 40.431 38.460 -0.119 0.000 1.259 457 Y HN 0.836 nan 8.280 nan 0.000 0.468 458 G N -0.123 108.636 108.800 -0.067 0.000 2.677 458 G HA2 0.810 4.769 3.960 -0.001 0.000 0.291 458 G HA3 0.810 4.769 3.960 -0.001 0.000 0.291 458 G C -2.038 172.649 174.900 -0.355 0.000 1.435 458 G CA -0.464 44.490 45.100 -0.243 0.000 0.826 458 G HN 0.942 nan 8.290 nan 0.000 0.491 459 A N -0.369 122.155 122.820 -0.493 0.000 2.605 459 A HA 0.749 5.068 4.320 -0.001 0.000 0.294 459 A C -1.567 175.699 177.584 -0.530 0.000 1.062 459 A CA -0.785 50.846 52.037 -0.675 0.000 0.682 459 A CB 0.722 19.079 19.000 -1.072 0.000 1.278 459 A HN 0.771 nan 8.150 nan 0.000 0.410 460 F N 0.747 120.576 119.950 -0.201 0.000 2.384 460 F HA 0.485 5.011 4.527 -0.001 0.000 0.338 460 F C 0.506 176.279 175.800 -0.045 0.000 1.103 460 F CA -0.203 57.761 58.000 -0.061 0.000 1.157 460 F CB 1.685 40.670 39.000 -0.026 0.000 1.167 460 F HN 0.289 nan 8.300 nan 0.000 0.529 461 V N 1.898 121.947 119.914 0.226 0.000 2.394 461 V HA 0.100 4.219 4.120 -0.001 0.000 0.282 461 V C -0.358 175.824 176.094 0.146 0.000 1.031 461 V CA -0.784 61.612 62.300 0.159 0.000 0.881 461 V CB 1.456 33.378 31.823 0.164 0.000 0.982 461 V HN 0.591 nan 8.190 nan 0.000 0.451 462 D N 5.738 126.209 120.400 0.118 0.000 2.551 462 D HA 0.346 4.985 4.640 -0.001 0.000 0.223 462 D C -0.171 176.178 176.300 0.082 0.000 1.144 462 D CA 0.065 54.123 54.000 0.097 0.000 1.025 462 D CB -0.255 40.599 40.800 0.090 0.000 1.085 462 D HN 0.598 nan 8.370 nan 0.000 0.506 463 I N -1.797 118.819 120.570 0.077 0.000 3.074 463 I HA 0.544 4.713 4.170 -0.001 0.000 0.310 463 I C -0.994 175.159 176.117 0.060 0.000 1.153 463 I CA -1.196 60.138 61.300 0.058 0.000 0.993 463 I CB 2.294 40.317 38.000 0.037 0.000 1.237 463 I HN -0.231 nan 8.210 nan 0.000 0.443 464 D N 4.100 124.530 120.400 0.049 0.000 2.454 464 D HA 0.419 5.059 4.640 -0.001 0.000 0.225 464 D C -1.968 174.345 176.300 0.022 0.000 1.081 464 D CA -2.380 51.656 54.000 0.059 0.000 0.864 464 D CB 1.860 42.695 40.800 0.058 0.000 1.040 464 D HN 0.269 nan 8.370 nan 0.000 0.517 465 P HA -0.079 nan 4.420 nan 0.000 0.221 465 P C 1.107 178.337 177.300 -0.116 0.000 1.145 465 P CA 0.866 63.915 63.100 -0.085 0.000 0.795 465 P CB 0.329 31.932 31.700 -0.163 0.000 0.775 466 R N -0.387 120.067 120.500 -0.078 0.000 2.092 466 R HA -0.024 4.316 4.340 -0.001 0.000 0.231 466 R C 2.163 178.446 176.300 -0.028 0.000 1.119 466 R CA 1.932 57.998 56.100 -0.057 0.000 0.970 466 R CB -0.575 29.743 30.300 0.030 0.000 0.864 466 R HN 0.324 nan 8.270 nan 0.000 0.440 467 S N -0.293 115.402 115.700 -0.009 0.000 2.526 467 S HA 0.053 4.523 4.470 -0.001 0.000 0.220 467 S C 0.094 174.689 174.600 -0.009 0.000 1.017 467 S CA -0.602 57.595 58.200 -0.005 0.000 0.930 467 S CB 0.277 63.483 63.200 0.009 0.000 0.856 467 S HN 0.315 nan 8.310 nan 0.000 0.497 468 E N 1.090 121.282 120.200 -0.013 0.000 2.272 468 E HA 0.472 4.821 4.350 -0.001 0.000 0.269 468 E C -1.359 175.228 176.600 -0.021 0.000 0.877 468 E CA -0.932 55.461 56.400 -0.012 0.000 0.755 468 E CB 1.371 31.070 29.700 -0.001 0.000 1.192 468 E HN 0.214 nan 8.360 nan 0.000 0.422 469 E N 2.081 122.271 120.200 -0.016 0.000 2.408 469 E HA 0.141 4.491 4.350 -0.001 0.000 0.259 469 E C -0.153 176.441 176.600 -0.010 0.000 1.110 469 E CA -0.087 56.307 56.400 -0.010 0.000 0.929 469 E CB 0.940 30.639 29.700 -0.003 0.000 0.971 469 E HN 0.434 nan 8.360 nan 0.000 0.438 470 I N 2.422 122.991 120.570 -0.001 0.000 2.301 470 I HA 0.045 4.215 4.170 -0.001 0.000 0.292 470 I C 0.281 176.412 176.117 0.023 0.000 1.046 470 I CA -0.251 60.985 61.300 -0.106 0.000 1.282 470 I CB 0.544 38.372 38.000 -0.288 0.000 1.409 470 I HN 0.362 nan 8.210 nan 0.000 0.484 471 S N 7.331 123.057 115.700 0.043 0.000 2.593 471 S HA 0.818 5.287 4.470 -0.001 0.000 0.297 471 S C -0.805 174.010 174.600 0.358 0.000 1.112 471 S CA -0.794 57.515 58.200 0.181 0.000 1.043 471 S CB 2.436 65.725 63.200 0.148 0.000 1.054 471 S HN 0.469 nan 8.310 nan 0.000 0.516 472 L N 1.505 122.983 121.223 0.425 0.000 2.470 472 L HA 0.638 4.977 4.340 -0.001 0.000 0.268 472 L C -0.725 176.364 176.870 0.365 0.000 0.964 472 L CA -0.480 54.658 54.840 0.498 0.000 0.839 472 L CB 2.075 44.516 42.059 0.636 0.000 1.276 472 L HN 0.968 nan 8.230 nan 0.000 0.403 473 R N 3.850 124.573 120.500 0.372 0.000 2.494 473 R HA 0.600 4.939 4.340 -0.001 0.000 0.305 473 R C -1.355 175.109 176.300 0.274 0.000 0.959 473 R CA -0.553 55.710 56.100 0.272 0.000 0.864 473 R CB 1.231 31.617 30.300 0.143 0.000 1.159 473 R HN 0.755 nan 8.270 nan 0.000 0.446 474 N N 4.240 123.060 118.700 0.201 0.000 2.296 474 N HA 0.283 5.022 4.740 -0.001 0.000 0.294 474 N C -1.518 174.092 175.510 0.167 0.000 1.033 474 N CA -0.610 52.550 53.050 0.184 0.000 0.839 474 N CB 1.966 40.541 38.487 0.148 0.000 1.395 474 N HN 0.303 nan 8.380 nan 0.000 0.479 475 L N 3.562 124.907 121.223 0.204 0.000 2.264 475 L HA 0.510 4.850 4.340 -0.001 0.000 0.287 475 L C -0.146 176.867 176.870 0.237 0.000 1.039 475 L CA -0.281 54.702 54.840 0.238 0.000 0.829 475 L CB 0.410 42.653 42.059 0.308 0.000 1.211 475 L HN 0.424 nan 8.230 nan 0.000 0.427 476 I N 3.387 124.094 120.570 0.227 0.000 2.321 476 I HA 0.288 4.457 4.170 -0.001 0.000 0.291 476 I C -0.352 175.859 176.117 0.157 0.000 0.998 476 I CA -0.236 61.150 61.300 0.144 0.000 1.227 476 I CB 1.378 39.439 38.000 0.101 0.000 1.368 476 I HN 0.429 nan 8.210 nan 0.000 0.466 477 D N 5.491 125.906 120.400 0.025 0.000 2.586 477 D HA 0.243 4.883 4.640 -0.001 0.000 0.254 477 D C 0.221 176.557 176.300 0.061 0.000 1.248 477 D CA -0.154 53.837 54.000 -0.015 0.000 0.843 477 D CB 0.205 40.810 40.800 -0.324 0.000 1.332 477 D HN 0.668 nan 8.370 nan 0.000 0.523 478 H N 0.093 119.136 119.070 -0.045 0.000 1.456 478 H HA -0.303 4.252 4.556 -0.001 0.000 0.090 478 H C 1.433 176.737 175.328 -0.040 0.000 0.600 478 H CA 2.610 58.642 56.048 -0.027 0.000 1.901 478 H CB -1.380 28.371 29.762 -0.019 0.000 2.256 478 H HN 0.345 nan 8.280 nan 0.000 0.961 479 S N 1.589 117.345 115.700 0.094 0.000 2.577 479 S HA 0.380 4.849 4.470 -0.001 0.000 0.219 479 S C 0.523 174.975 174.600 -0.247 0.000 0.962 479 S CA 0.315 58.432 58.200 -0.137 0.000 0.921 479 S CB 0.410 63.506 63.200 -0.173 0.000 0.789 479 S HN 0.420 nan 8.310 nan 0.000 0.497 480 I N 0.571 121.025 120.570 -0.194 0.000 2.686 480 I HA 0.597 4.766 4.170 -0.001 0.000 0.295 480 I C -1.903 174.119 176.117 -0.158 0.000 1.114 480 I CA -1.560 59.601 61.300 -0.232 0.000 1.038 480 I CB 2.080 39.846 38.000 -0.391 0.000 1.238 480 I HN 0.125 nan 8.210 nan 0.000 0.420 481 I N 6.335 126.846 120.570 -0.099 0.000 2.512 481 I HA 0.333 4.502 4.170 -0.001 0.000 0.287 481 I C -1.027 175.072 176.117 -0.029 0.000 1.069 481 I CA -0.509 60.775 61.300 -0.027 0.000 1.056 481 I CB 2.056 40.049 38.000 -0.011 0.000 1.229 481 I HN 0.493 nan 8.210 nan 0.000 0.429 482 E N 4.861 125.077 120.200 0.027 0.000 2.129 482 E HA 0.440 4.789 4.350 -0.001 0.000 0.268 482 E C -1.059 175.454 176.600 -0.145 0.000 0.900 482 E CA -0.516 55.838 56.400 -0.077 0.000 0.755 482 E CB 1.948 31.698 29.700 0.083 0.000 1.117 482 E HN 0.426 nan 8.360 nan 0.000 0.410 483 S N 2.862 118.371 115.700 -0.318 0.000 2.451 483 S HA 0.482 4.951 4.470 -0.001 0.000 0.301 483 S C -0.767 173.595 174.600 -0.397 0.000 1.116 483 S CA -0.687 57.394 58.200 -0.198 0.000 1.093 483 S CB 0.387 63.515 63.200 -0.121 0.000 1.017 483 S HN 0.309 nan 8.310 nan 0.000 0.482 484 F N 1.574 121.569 119.950 0.075 0.000 2.445 484 F HA 0.545 5.072 4.527 -0.001 0.000 0.348 484 F C 0.895 176.855 175.800 0.266 0.000 1.125 484 F CA -0.640 57.452 58.000 0.154 0.000 0.983 484 F CB 1.432 40.520 39.000 0.148 0.000 1.198 484 F HN 0.681 nan 8.300 nan 0.000 0.436 485 G N 1.468 110.497 108.800 0.381 0.000 2.389 485 G HA2 0.490 4.449 3.960 -0.001 0.000 0.317 485 G HA3 0.490 4.449 3.960 -0.001 0.000 0.317 485 G C 0.167 175.277 174.900 0.350 0.000 1.137 485 G CA -0.421 44.942 45.100 0.438 0.000 0.870 485 G HN 1.241 nan 8.290 nan 0.000 0.496 486 A N 0.195 123.184 122.820 0.282 0.000 2.560 486 A HA 0.263 4.583 4.320 -0.001 0.000 0.299 486 A C 1.927 179.604 177.584 0.155 0.000 1.484 486 A CA 1.625 53.763 52.037 0.167 0.000 0.749 486 A CB -1.395 17.674 19.000 0.114 0.000 1.072 486 A HN 3.017 nan 8.150 nan 0.000 0.426 487 G N -1.757 107.158 108.800 0.192 0.000 2.179 487 G HA2 0.245 4.204 3.960 -0.001 0.000 0.257 487 G HA3 0.245 4.204 3.960 -0.001 0.000 0.257 487 G C 1.145 176.097 174.900 0.086 0.000 1.010 487 G CA 1.001 46.078 45.100 -0.039 0.000 0.736 487 G HN 3.068 nan 8.290 nan 0.000 0.513 488 G N -1.350 107.702 108.800 0.421 0.000 2.179 488 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.220 488 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.220 488 G C 0.952 175.978 174.900 0.209 0.000 0.990 488 G CA 1.099 46.457 45.100 0.430 0.000 0.646 488 G HN 0.808 nan 8.290 nan 0.000 0.517 489 K N -0.255 120.250 120.400 0.175 0.000 2.148 489 K HA 0.070 4.389 4.320 -0.001 0.000 0.204 489 K C 0.341 177.039 176.600 0.165 0.000 1.050 489 K CA 1.469 57.837 56.287 0.136 0.000 0.942 489 K CB 0.046 32.620 32.500 0.124 0.000 0.724 489 K HN 0.372 nan 8.250 nan 0.000 0.446 490 T N 0.427 115.091 114.554 0.183 0.000 2.965 490 T HA 0.288 4.637 4.350 -0.001 0.000 0.306 490 T C -0.935 173.824 174.700 0.099 0.000 0.991 490 T CA -0.690 61.502 62.100 0.152 0.000 1.001 490 T CB 1.218 70.147 68.868 0.102 0.000 0.984 490 T HN 0.038 nan 8.240 nan 0.000 0.446 491 C N 4.118 123.439 119.300 0.034 0.000 2.382 491 C HA 0.767 5.226 4.460 -0.001 0.000 0.327 491 C C -0.034 174.819 174.990 -0.228 0.000 1.250 491 C CA -0.967 57.917 59.018 -0.223 0.000 1.707 491 C CB -0.231 27.288 27.740 -0.368 0.000 2.272 491 C HN 0.823 nan 8.230 nan 0.000 0.506 492 I N 2.146 122.527 120.570 -0.315 0.000 2.500 492 I HA 0.276 4.445 4.170 -0.001 0.000 0.286 492 I C -0.306 175.644 176.117 -0.280 0.000 1.063 492 I CA 0.119 61.269 61.300 -0.250 0.000 1.062 492 I CB 1.939 39.851 38.000 -0.147 0.000 1.223 492 I HN 0.578 nan 8.210 nan 0.000 0.435 493 T N 4.206 118.593 114.554 -0.278 0.000 2.767 493 T HA 0.456 4.806 4.350 -0.001 0.000 0.284 493 T C -0.115 174.479 174.700 -0.177 0.000 0.973 493 T CA -0.413 61.578 62.100 -0.182 0.000 0.996 493 T CB 1.243 70.078 68.868 -0.055 0.000 0.927 493 T HN 0.490 nan 8.240 nan 0.000 0.456 494 S N 3.085 118.727 115.700 -0.098 0.000 2.513 494 S HA 0.633 5.102 4.470 -0.001 0.000 0.299 494 S C -0.526 174.030 174.600 -0.075 0.000 1.087 494 S CA -1.121 57.062 58.200 -0.029 0.000 1.012 494 S CB 1.280 64.498 63.200 0.029 0.000 1.044 494 S HN 0.378 nan 8.310 nan 0.000 0.485 495 R N 2.786 123.248 120.500 -0.064 0.000 2.437 495 R HA 0.542 4.881 4.340 -0.001 0.000 0.310 495 R C -0.628 175.531 176.300 -0.235 0.000 0.955 495 R CA -0.620 55.366 56.100 -0.190 0.000 0.851 495 R CB 1.061 31.285 30.300 -0.126 0.000 1.161 495 R HN 0.724 nan 8.270 nan 0.000 0.446 496 I N -0.306 120.007 120.570 -0.429 0.000 2.730 496 I HA 0.489 4.659 4.170 -0.001 0.000 0.298 496 I C -1.149 174.611 176.117 -0.594 0.000 1.089 496 I CA -1.029 60.082 61.300 -0.316 0.000 1.041 496 I CB 1.993 39.931 38.000 -0.104 0.000 1.235 496 I HN 0.499 nan 8.210 nan 0.000 0.423 497 Y N 4.559 124.781 120.300 -0.129 0.000 2.511 497 Y HA 0.401 4.950 4.550 -0.001 0.000 0.356 497 Y C -2.438 173.456 175.900 -0.010 0.000 1.002 497 Y CA -2.016 55.932 58.100 -0.254 0.000 1.127 497 Y CB 0.605 38.718 38.460 -0.578 0.000 1.137 497 Y HN 0.408 nan 8.280 nan 0.000 0.652 498 P HA -0.008 nan 4.420 nan 0.000 0.269 498 P C 0.557 177.911 177.300 0.090 0.000 1.215 498 P CA -0.016 63.147 63.100 0.105 0.000 0.780 498 P CB 1.839 33.556 31.700 0.029 0.000 0.898 499 K N 2.039 122.513 120.400 0.124 0.000 2.116 499 K HA -0.098 4.221 4.320 -0.001 0.000 0.203 499 K C 1.992 178.627 176.600 0.058 0.000 1.052 499 K CA 0.958 57.315 56.287 0.117 0.000 0.952 499 K CB -0.510 32.068 32.500 0.129 0.000 0.729 499 K HN 0.434 nan 8.250 nan 0.000 0.446 500 F N 1.139 121.147 119.950 0.095 0.000 2.202 500 F HA -0.169 4.357 4.527 -0.001 0.000 0.301 500 F C 1.566 177.402 175.800 0.060 0.000 1.082 500 F CA 0.974 59.018 58.000 0.072 0.000 1.313 500 F CB -1.279 37.766 39.000 0.075 0.000 1.024 500 F HN -0.138 nan 8.300 nan 0.000 0.495 501 V N -0.445 118.987 119.914 -0.803 0.000 2.982 501 V HA -0.247 3.872 4.120 -0.001 0.000 0.265 501 V C 1.697 177.664 176.094 -0.211 0.000 1.122 501 V CA 2.169 64.151 62.300 -0.530 0.000 1.143 501 V CB -1.774 29.699 31.823 -0.584 0.000 0.726 501 V HN 0.472 nan 8.190 nan 0.000 0.507 502 N N 1.042 119.656 118.700 -0.143 0.000 2.270 502 N HA -0.037 4.702 4.740 -0.001 0.000 0.181 502 N C 1.463 176.968 175.510 -0.007 0.000 1.016 502 N CA 1.723 54.724 53.050 -0.082 0.000 0.870 502 N CB -0.135 38.326 38.487 -0.043 0.000 0.979 502 N HN 0.686 nan 8.380 nan 0.000 0.431 503 N N -1.129 117.600 118.700 0.050 0.000 2.266 503 N HA 0.060 4.799 4.740 -0.001 0.000 0.217 503 N C -0.800 174.779 175.510 0.115 0.000 1.211 503 N CA -0.013 53.082 53.050 0.075 0.000 0.881 503 N CB 0.805 39.338 38.487 0.076 0.000 1.153 503 N HN 0.293 nan 8.380 nan 0.000 0.489 504 E N 0.211 120.530 120.200 0.198 0.000 2.378 504 E HA 0.395 4.745 4.350 -0.001 0.000 0.265 504 E C -1.029 175.760 176.600 0.315 0.000 0.932 504 E CA -0.752 55.789 56.400 0.234 0.000 0.795 504 E CB 1.575 31.416 29.700 0.235 0.000 1.296 504 E HN -0.024 nan 8.360 nan 0.000 0.438 505 E N 0.113 120.453 120.200 0.233 0.000 2.373 505 E HA 0.406 4.756 4.350 -0.001 0.000 0.263 505 E C -0.455 176.327 176.600 0.303 0.000 1.073 505 E CA -0.572 55.942 56.400 0.190 0.000 0.894 505 E CB 1.269 30.978 29.700 0.015 0.000 1.008 505 E HN 0.565 nan 8.360 nan 0.000 0.420 506 A N 2.264 125.264 122.820 0.300 0.000 2.287 506 A HA 0.360 4.679 4.320 -0.001 0.000 0.273 506 A C -0.773 176.785 177.584 -0.042 0.000 1.091 506 A CA -0.151 52.102 52.037 0.359 0.000 0.817 506 A CB 0.301 19.500 19.000 0.332 0.000 1.069 506 A HN 0.629 nan 8.150 nan 0.000 0.492 507 H N -1.476 117.575 119.070 -0.032 0.000 2.834 507 H HA 0.694 5.249 4.556 -0.001 0.000 0.369 507 H C -1.173 174.027 175.328 -0.214 0.000 1.174 507 H CA -0.525 55.397 56.048 -0.211 0.000 1.165 507 H CB 1.615 31.200 29.762 -0.296 0.000 1.820 507 H HN 0.562 nan 8.280 nan 0.000 0.558 508 L N 1.894 122.896 121.223 -0.368 0.000 2.385 508 L HA 0.606 4.946 4.340 -0.001 0.000 0.273 508 L C -1.882 174.721 176.870 -0.444 0.000 0.990 508 L CA -0.304 54.407 54.840 -0.215 0.000 0.821 508 L CB 0.587 42.569 42.059 -0.129 0.000 1.279 508 L HN 0.538 nan 8.230 nan 0.000 0.412 509 F N 3.265 123.255 119.950 0.066 0.000 2.629 509 F HA 0.769 5.295 4.527 -0.001 0.000 0.316 509 F C -0.477 175.432 175.800 0.182 0.000 1.081 509 F CA -1.016 57.036 58.000 0.087 0.000 0.954 509 F CB 2.239 41.281 39.000 0.069 0.000 1.337 509 F HN 0.124 nan 8.300 nan 0.000 0.474 510 V N 2.020 122.190 119.914 0.426 0.000 2.628 510 V HA 0.646 4.765 4.120 -0.001 0.000 0.306 510 V C -0.888 175.485 176.094 0.466 0.000 1.045 510 V CA -0.853 61.690 62.300 0.406 0.000 0.905 510 V CB 1.780 33.766 31.823 0.271 0.000 0.997 510 V HN 0.658 nan 8.190 nan 0.000 0.436 511 F N 1.915 122.003 119.950 0.230 0.000 2.662 511 F HA 0.821 5.347 4.527 -0.001 0.000 0.312 511 F C -1.079 174.802 175.800 0.136 0.000 1.113 511 F CA -0.946 57.137 58.000 0.138 0.000 0.951 511 F CB 2.232 41.265 39.000 0.054 0.000 1.344 511 F HN 0.398 nan 8.300 nan 0.000 0.462 512 N N 1.751 120.416 118.700 -0.058 0.000 2.581 512 N HA 0.258 4.997 4.740 -0.001 0.000 0.279 512 N C -1.544 173.967 175.510 0.002 0.000 1.124 512 N CA -0.384 52.575 53.050 -0.152 0.000 0.833 512 N CB 0.952 39.397 38.487 -0.069 0.000 1.338 512 N HN 0.741 nan 8.380 nan 0.000 0.533 513 N N 1.373 120.074 118.700 0.002 0.000 2.235 513 N HA 0.232 4.971 4.740 -0.001 0.000 0.209 513 N C 0.342 175.839 175.510 -0.021 0.000 1.122 513 N CA 0.056 53.135 53.050 0.049 0.000 0.845 513 N CB 0.503 39.051 38.487 0.102 0.000 1.004 513 N HN 0.683 nan 8.380 nan 0.000 0.499 514 G N -0.925 107.853 108.800 -0.037 0.000 2.588 514 G HA2 0.184 4.143 3.960 -0.001 0.000 0.281 514 G HA3 0.184 4.143 3.960 -0.001 0.000 0.281 514 G C 0.958 175.847 174.900 -0.019 0.000 1.236 514 G CA 0.054 45.137 45.100 -0.029 0.000 0.969 514 G HN 0.242 nan 8.290 nan 0.000 0.504 515 T N -2.681 111.864 114.554 -0.015 0.000 3.044 515 T HA 0.195 4.545 4.350 -0.001 0.000 0.250 515 T C 0.757 175.447 174.700 -0.017 0.000 1.081 515 T CA 0.245 62.338 62.100 -0.011 0.000 1.040 515 T CB 0.246 69.112 68.868 -0.004 0.000 0.962 515 T HN 0.290 nan 8.240 nan 0.000 0.506 516 Q N 1.813 121.597 119.800 -0.026 0.000 2.214 516 Q HA 0.384 4.723 4.340 -0.001 0.000 0.251 516 Q C -0.453 175.508 176.000 -0.065 0.000 0.936 516 Q CA -0.510 55.269 55.803 -0.040 0.000 0.894 516 Q CB 1.184 29.896 28.738 -0.044 0.000 1.252 516 Q HN 0.284 nan 8.270 nan 0.000 0.448 517 N N 0.733 119.391 118.700 -0.070 0.000 2.525 517 N HA 0.288 5.028 4.740 -0.001 0.000 0.271 517 N C -0.860 174.563 175.510 -0.145 0.000 1.194 517 N CA 0.052 53.052 53.050 -0.084 0.000 0.964 517 N CB 0.995 39.447 38.487 -0.059 0.000 1.126 517 N HN 0.368 nan 8.380 nan 0.000 0.452 518 V N -0.366 119.445 119.914 -0.172 0.000 3.007 518 V HA 0.619 4.738 4.120 -0.001 0.000 0.311 518 V C -0.624 175.405 176.094 -0.109 0.000 1.120 518 V CA -1.028 61.118 62.300 -0.257 0.000 0.980 518 V CB 1.943 33.404 31.823 -0.603 0.000 1.033 518 V HN 0.621 nan 8.190 nan 0.000 0.429 519 K N 2.886 123.245 120.400 -0.067 0.000 2.259 519 K HA 0.683 5.002 4.320 -0.001 0.000 0.252 519 K C -1.205 175.405 176.600 0.015 0.000 0.936 519 K CA -0.945 55.333 56.287 -0.015 0.000 0.810 519 K CB 2.094 34.571 32.500 -0.038 0.000 1.143 519 K HN 0.850 nan 8.250 nan 0.000 0.427 520 I N 4.559 125.117 120.570 -0.020 0.000 2.308 520 I HA -0.019 4.150 4.170 -0.001 0.000 0.293 520 I C 1.407 177.460 176.117 -0.107 0.000 1.078 520 I CA -0.194 61.026 61.300 -0.133 0.000 1.292 520 I CB 1.265 39.188 38.000 -0.127 0.000 1.423 520 I HN 0.822 nan 8.210 nan 0.000 0.493 521 S N 4.325 119.958 115.700 -0.112 0.000 2.387 521 S HA -0.060 4.410 4.470 -0.001 0.000 0.226 521 S C 0.585 175.136 174.600 -0.081 0.000 1.026 521 S CA 0.494 58.648 58.200 -0.076 0.000 0.972 521 S CB 0.105 63.269 63.200 -0.061 0.000 0.814 521 S HN 0.754 nan 8.310 nan 0.000 0.477 522 E N -0.769 119.365 120.200 -0.111 0.000 2.378 522 E HA 0.517 4.867 4.350 -0.001 0.000 0.283 522 E C -1.818 174.706 176.600 -0.126 0.000 0.979 522 E CA -0.616 55.725 56.400 -0.098 0.000 0.795 522 E CB 1.492 31.154 29.700 -0.064 0.000 1.221 522 E HN 0.277 nan 8.360 nan 0.000 0.428 523 M N 2.815 122.343 119.600 -0.121 0.000 2.324 523 M HA 0.447 4.927 4.480 -0.001 0.000 0.288 523 M C -1.809 174.393 176.300 -0.164 0.000 1.097 523 M CA -0.443 54.780 55.300 -0.128 0.000 0.928 523 M CB 2.173 34.699 32.600 -0.124 0.000 1.648 523 M HN 0.527 nan 8.290 nan 0.000 0.460 524 S N 2.879 118.465 115.700 -0.190 0.000 2.561 524 S HA 0.874 5.343 4.470 -0.001 0.000 0.303 524 S C -0.956 173.381 174.600 -0.439 0.000 1.110 524 S CA -0.703 57.236 58.200 -0.435 0.000 1.034 524 S CB 1.773 64.645 63.200 -0.546 0.000 1.010 524 S HN 0.732 nan 8.310 nan 0.000 0.482 525 A N 3.281 125.772 122.820 -0.549 0.000 2.371 525 A HA 0.821 5.140 4.320 -0.001 0.000 0.311 525 A C -1.467 175.880 177.584 -0.395 0.000 1.068 525 A CA -0.655 51.206 52.037 -0.293 0.000 0.744 525 A CB 1.166 20.072 19.000 -0.157 0.000 1.239 525 A HN 0.785 nan 8.150 nan 0.000 0.435 526 W N 1.395 122.669 121.300 -0.044 0.000 2.883 526 W HA 0.432 5.091 4.660 -0.001 0.000 0.335 526 W C -0.321 176.162 176.519 -0.060 0.000 1.083 526 W CA -0.561 56.750 57.345 -0.057 0.000 1.233 526 W CB 2.496 31.907 29.460 -0.081 0.000 1.412 526 W HN 0.666 nan 8.180 nan 0.000 0.490 527 S N 3.261 119.062 115.700 0.170 0.000 2.565 527 S HA 0.416 4.885 4.470 -0.001 0.000 0.276 527 S C 0.184 174.827 174.600 0.072 0.000 1.326 527 S CA -0.367 57.887 58.200 0.091 0.000 1.045 527 S CB 0.599 63.835 63.200 0.059 0.000 0.918 527 S HN 0.174 nan 8.310 nan 0.000 0.505 528 M N 3.538 123.157 119.600 0.033 0.000 2.227 528 M HA 0.303 4.783 4.480 -0.001 0.000 0.335 528 M C 0.070 176.377 176.300 0.012 0.000 1.053 528 M CA -0.676 54.584 55.300 -0.066 0.000 0.973 528 M CB 1.339 33.787 32.600 -0.254 0.000 1.623 528 M HN 0.662 nan 8.290 nan 0.000 0.434 529 K N 2.451 122.841 120.400 -0.017 0.000 2.138 529 K HA 0.346 4.665 4.320 -0.001 0.000 0.251 529 K C -0.376 176.275 176.600 0.084 0.000 1.015 529 K CA -0.493 55.816 56.287 0.037 0.000 0.917 529 K CB 0.893 33.398 32.500 0.009 0.000 1.021 529 K HN 0.555 nan 8.250 nan 0.000 0.485 530 N N -0.289 118.483 118.700 0.120 0.000 2.479 530 N HA 0.098 4.837 4.740 -0.001 0.000 0.257 530 N C -0.587 175.003 175.510 0.134 0.000 1.232 530 N CA -0.449 52.705 53.050 0.174 0.000 0.920 530 N CB 0.799 39.374 38.487 0.147 0.000 1.105 530 N HN 0.680 nan 8.380 nan 0.000 0.444 531 A N 1.714 124.653 122.820 0.199 0.000 2.304 531 A HA 0.247 4.566 4.320 -0.001 0.000 0.271 531 A C -0.107 177.445 177.584 -0.054 0.000 1.091 531 A CA -0.363 51.704 52.037 0.050 0.000 0.812 531 A CB 0.487 19.544 19.000 0.094 0.000 1.056 531 A HN 0.603 nan 8.150 nan 0.000 0.489 532 K N 0.284 120.555 120.400 -0.215 0.000 2.172 532 K HA 0.493 4.812 4.320 -0.001 0.000 0.276 532 K C -1.766 174.582 176.600 -0.420 0.000 1.013 532 K CA 0.268 56.453 56.287 -0.170 0.000 0.913 532 K CB 0.952 33.389 32.500 -0.105 0.000 1.055 532 K HN 0.501 nan 8.250 nan 0.000 0.461 533 F N 1.982 121.947 119.950 0.024 0.000 2.500 533 F HA 0.239 4.765 4.527 -0.001 0.000 0.349 533 F C -0.328 175.478 175.800 0.011 0.000 1.127 533 F CA -0.926 57.068 58.000 -0.010 0.000 0.998 533 F CB 1.367 40.373 39.000 0.010 0.000 1.237 533 F HN 0.079 nan 8.300 nan 0.000 0.439 534 V N 4.184 124.154 119.914 0.094 0.000 2.532 534 V HA 0.492 4.611 4.120 -0.001 0.000 0.295 534 V C -0.254 175.918 176.094 0.130 0.000 1.041 534 V CA -0.886 61.472 62.300 0.096 0.000 0.926 534 V CB 2.020 33.870 31.823 0.046 0.000 0.992 534 V HN 0.377 nan 8.190 nan 0.000 0.457 535 V N 3.266 123.269 119.914 0.148 0.000 2.394 535 V HA 0.410 4.529 4.120 -0.001 0.000 0.282 535 V C -0.231 175.930 176.094 0.111 0.000 1.031 535 V CA -0.202 62.193 62.300 0.159 0.000 0.881 535 V CB 1.594 33.496 31.823 0.132 0.000 0.982 535 V HN 0.951 nan 8.190 nan 0.000 0.451 536 D N 4.038 124.503 120.400 0.109 0.000 2.613 536 D HA 0.329 4.968 4.640 -0.001 0.000 0.312 536 D C 0.036 176.398 176.300 0.104 0.000 1.202 536 D CA -0.141 53.923 54.000 0.107 0.000 0.825 536 D CB 0.606 41.483 40.800 0.128 0.000 1.113 536 D HN 0.632 nan 8.370 nan 0.000 0.502 537 Q N -0.100 119.753 119.800 0.088 0.000 3.018 537 Q HA 0.590 4.929 4.340 -0.001 0.000 0.209 537 Q C -0.068 175.970 176.000 0.065 0.000 1.036 537 Q CA -1.020 54.829 55.803 0.077 0.000 0.886 537 Q CB 0.979 29.753 28.738 0.060 0.000 2.058 537 Q HN 0.267 nan 8.270 nan 0.000 0.452 538 S N 0.000 115.730 115.700 0.050 0.000 2.498 538 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 538 S CA 0.000 58.224 58.200 0.039 0.000 1.107 538 S CB 0.000 63.221 63.200 0.036 0.000 0.593 538 S HN 0.000 nan 8.310 nan 0.000 0.517