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 1go8_1_P DATA FIRST_RESID 20 DATA SEQUENCE TSSAYNSVYD FLRYHDRGDG LTVNGKTSYS IDQAAAQITR ENVSWNGTNV DATA SEQUENCE FGKSANLTFK FLQSVSSIPS GDTGFVKFNA EQIEQAKLSL QSWSDVANLT DATA SEQUENCE FTEVTGNKSA NITFGNYTRD ASGNLDYGTQ AYAYYPGNYQ GAGSSWYNYN DATA SEQUENCE QSNIRNPGSE EYGRQTFTHE IGHALGLAHP GEYNAGEGDP SYNDAVYAED DATA SEQUENCE SYQFSILSYW GENETGADYN GHYGGAPMID DIAAIQRLYG ANMTTRTGDS DATA SEQUENCE VYGFNSNTDR DFYTATDSSK ALIFSVWDAG GTDTFDFSGY SNNQRINLNE DATA SEQUENCE GSFSDVGGLK GNVSIAHGVT IENAIGGSGN DILVGNSADN ILQGGAGNDV DATA SEQUENCE LYGGAGADTL YGGAGRDTFV YGSGQDSTVA AYDWIADFQK GIDKIDLSAF DATA SEQUENCE RNEGQLSFVQ DQFTGKGQEV MLQWDAANSI TNLWLHEAGH SSVDFLVRIV DATA SEQUENCE GQAAQSDIIV 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 20 T HA 0.000 nan 4.350 nan 0.000 0.228 20 T C 0.000 174.753 174.700 0.088 0.000 1.109 20 T CA 0.000 62.116 62.100 0.027 0.000 1.349 20 T CB 0.000 68.899 68.868 0.051 0.000 0.612 21 S N 1.607 117.377 115.700 0.116 0.000 2.580 21 S HA 0.326 4.796 4.470 -0.001 0.000 0.266 21 S C 1.631 176.311 174.600 0.133 0.000 1.354 21 S CA 0.062 58.335 58.200 0.121 0.000 1.008 21 S CB 0.517 63.798 63.200 0.136 0.000 0.898 21 S HN 1.603 nan 8.310 nan 0.000 0.555 22 S N 0.712 116.467 115.700 0.091 0.000 2.481 22 S HA 0.065 4.534 4.470 -0.001 0.000 0.231 22 S C 1.837 176.478 174.600 0.068 0.000 0.996 22 S CA 0.305 58.546 58.200 0.067 0.000 0.942 22 S CB -0.898 62.328 63.200 0.043 0.000 0.768 22 S HN 1.018 nan 8.310 nan 0.000 0.520 23 A N 1.210 124.088 122.820 0.097 0.000 1.897 23 A HA 0.032 4.352 4.320 -0.001 0.000 0.215 23 A C 2.002 179.652 177.584 0.110 0.000 1.181 23 A CA 1.267 53.358 52.037 0.090 0.000 0.620 23 A CB -1.113 17.951 19.000 0.105 0.000 0.821 23 A HN 0.587 nan 8.150 nan 0.000 0.443 24 Y N 1.516 121.854 120.300 0.064 0.000 2.200 24 Y HA -0.196 4.354 4.550 -0.001 0.000 0.290 24 Y C 2.103 178.036 175.900 0.056 0.000 1.137 24 Y CA 1.988 60.125 58.100 0.062 0.000 1.163 24 Y CB -0.223 38.277 38.460 0.067 0.000 0.988 24 Y HN 0.313 nan 8.280 nan 0.000 0.518 25 N N 0.035 118.742 118.700 0.012 0.000 2.166 25 N HA -0.185 4.554 4.740 -0.001 0.000 0.186 25 N C 2.177 177.656 175.510 -0.053 0.000 1.019 25 N CA 1.638 54.660 53.050 -0.048 0.000 0.856 25 N CB -0.792 37.715 38.487 0.034 0.000 0.993 25 N HN 0.559 nan 8.380 nan 0.000 0.426 26 S N 0.209 115.887 115.700 -0.037 0.000 2.382 26 S HA -0.073 4.396 4.470 -0.001 0.000 0.228 26 S C 2.138 176.715 174.600 -0.038 0.000 1.027 26 S CA 1.077 59.258 58.200 -0.032 0.000 0.991 26 S CB -0.667 62.512 63.200 -0.035 0.000 0.823 26 S HN 0.042 nan 8.310 nan 0.000 0.469 27 V N 0.627 120.470 119.914 -0.119 0.000 2.323 27 V HA -0.087 4.032 4.120 -0.001 0.000 0.244 27 V C 2.219 178.167 176.094 -0.243 0.000 1.041 27 V CA 1.889 64.082 62.300 -0.179 0.000 1.025 27 V CB -1.116 30.473 31.823 -0.391 0.000 0.656 27 V HN 0.599 nan 8.190 nan 0.000 0.451 28 Y N 1.564 121.557 120.300 -0.511 0.000 2.102 28 Y HA -0.320 4.230 4.550 -0.001 0.000 0.280 28 Y C 2.387 178.185 175.900 -0.170 0.000 1.178 28 Y CA 2.355 60.211 58.100 -0.406 0.000 1.146 28 Y CB -0.257 37.943 38.460 -0.434 0.000 0.968 28 Y HN 0.344 nan 8.280 nan 0.000 0.504 29 D N -0.705 119.718 120.400 0.038 0.000 2.103 29 D HA -0.178 4.462 4.640 -0.001 0.000 0.199 29 D C 2.001 178.325 176.300 0.040 0.000 0.978 29 D CA 1.226 55.254 54.000 0.047 0.000 0.829 29 D CB -0.876 39.978 40.800 0.089 0.000 0.981 29 D HN 0.382 nan 8.370 nan 0.000 0.464 30 F N 1.655 121.537 119.950 -0.112 0.000 2.161 30 F HA -0.113 4.414 4.527 -0.001 0.000 0.300 30 F C 2.011 177.804 175.800 -0.013 0.000 1.089 30 F CA 0.891 58.835 58.000 -0.093 0.000 1.282 30 F CB -0.449 38.482 39.000 -0.115 0.000 1.010 30 F HN -0.109 nan 8.300 nan 0.000 0.485 31 L N -0.335 120.765 121.223 -0.205 0.000 2.353 31 L HA -0.146 4.193 4.340 -0.001 0.000 0.220 31 L C 1.878 178.633 176.870 -0.190 0.000 1.133 31 L CA 1.133 55.807 54.840 -0.278 0.000 0.798 31 L CB -0.354 41.541 42.059 -0.275 0.000 0.922 31 L HN 0.049 nan 8.230 nan 0.000 0.445 32 R N -2.090 118.327 120.500 -0.138 0.000 2.432 32 R HA 0.056 4.396 4.340 -0.001 0.000 0.260 32 R C -0.220 176.126 176.300 0.077 0.000 0.935 32 R CA -0.464 55.598 56.100 -0.062 0.000 1.080 32 R CB 0.223 30.446 30.300 -0.128 0.000 1.155 32 R HN -0.007 nan 8.270 nan 0.000 0.531 33 Y N 2.580 122.847 120.300 -0.055 0.000 2.881 33 Y HA -0.234 4.316 4.550 -0.001 0.000 0.335 33 Y C 0.656 176.624 175.900 0.114 0.000 1.263 33 Y CA 0.520 58.627 58.100 0.012 0.000 1.572 33 Y CB -0.199 38.319 38.460 0.097 0.000 1.237 33 Y HN 0.325 nan 8.280 nan 0.000 0.568 34 H N 2.735 121.778 119.070 -0.046 0.000 2.741 34 H HA -0.254 4.302 4.556 -0.001 0.000 0.305 34 H C -0.054 175.313 175.328 0.065 0.000 1.169 34 H CA 0.787 56.786 56.048 -0.081 0.000 1.144 34 H CB -1.048 28.531 29.762 -0.305 0.000 1.397 34 H HN 0.633 nan 8.280 nan 0.000 0.409 35 D N 1.155 121.634 120.400 0.130 0.000 2.419 35 D HA 0.168 4.808 4.640 -0.001 0.000 0.236 35 D C 1.316 177.692 176.300 0.125 0.000 1.165 35 D CA 0.603 54.674 54.000 0.118 0.000 0.882 35 D CB 0.732 41.571 40.800 0.066 0.000 1.201 35 D HN 0.573 nan 8.370 nan 0.000 0.443 36 R N -0.185 120.385 120.500 0.117 0.000 2.734 36 R HA 0.615 4.955 4.340 -0.001 0.000 0.271 36 R C 0.295 176.643 176.300 0.080 0.000 1.021 36 R CA -0.612 55.551 56.100 0.104 0.000 0.893 36 R CB 0.687 31.059 30.300 0.121 0.000 1.244 36 R HN 0.559 nan 8.270 nan 0.000 0.464 37 G N 0.956 109.801 108.800 0.075 0.000 2.562 37 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.250 37 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.250 37 G C -0.631 174.289 174.900 0.033 0.000 1.269 37 G CA 0.405 45.531 45.100 0.042 0.000 0.919 37 G HN 0.966 nan 8.290 nan 0.000 0.574 38 D N -0.499 119.907 120.400 0.009 0.000 2.708 38 D HA 0.007 4.647 4.640 -0.001 0.000 0.236 38 D C 1.672 177.983 176.300 0.018 0.000 1.146 38 D CA 3.065 57.072 54.000 0.011 0.000 0.662 38 D CB -1.529 39.283 40.800 0.020 0.000 1.059 38 D HN 2.468 nan 8.370 nan 0.000 0.428 39 G N -0.980 107.830 108.800 0.017 0.000 2.233 39 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.270 39 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.270 39 G C 0.520 175.442 174.900 0.037 0.000 1.011 39 G CA 0.726 45.841 45.100 0.025 0.000 0.762 39 G HN 0.541 nan 8.290 nan 0.000 0.511 40 L N 0.076 121.327 121.223 0.047 0.000 2.468 40 L HA 0.671 5.010 4.340 -0.001 0.000 0.254 40 L C 1.100 178.004 176.870 0.056 0.000 1.171 40 L CA 0.116 54.986 54.840 0.049 0.000 0.809 40 L CB 1.045 43.136 42.059 0.054 0.000 1.155 40 L HN 0.352 nan 8.230 nan 0.000 0.473 41 T N -1.293 113.290 114.554 0.048 0.000 2.881 41 T HA 0.690 5.040 4.350 -0.001 0.000 0.290 41 T C -0.702 174.024 174.700 0.043 0.000 1.000 41 T CA -0.701 61.426 62.100 0.045 0.000 0.978 41 T CB 1.598 70.486 68.868 0.033 0.000 0.997 41 T HN 0.190 nan 8.240 nan 0.000 0.443 42 V N 3.226 123.168 119.914 0.046 0.000 2.656 42 V HA 0.469 4.588 4.120 -0.001 0.000 0.307 42 V C 0.075 176.201 176.094 0.053 0.000 1.051 42 V CA -1.131 61.199 62.300 0.051 0.000 0.893 42 V CB 1.534 33.396 31.823 0.065 0.000 0.999 42 V HN 1.059 nan 8.190 nan 0.000 0.426 43 N N 3.279 122.012 118.700 0.055 0.000 2.696 43 N HA -0.233 4.506 4.740 -0.001 0.000 0.249 43 N C 1.220 176.744 175.510 0.024 0.000 1.090 43 N CA 1.582 54.669 53.050 0.063 0.000 0.716 43 N CB -1.027 37.551 38.487 0.153 0.000 1.020 43 N HN 1.611 nan 8.380 nan 0.000 0.548 44 G N -1.613 107.194 108.800 0.012 0.000 2.184 44 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.264 44 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.264 44 G C 0.187 175.074 174.900 -0.022 0.000 0.975 44 G CA 1.196 46.292 45.100 -0.007 0.000 0.642 44 G HN 0.564 nan 8.290 nan 0.000 0.536 45 K N 0.174 120.560 120.400 -0.024 0.000 2.185 45 K HA 0.593 4.913 4.320 -0.001 0.000 0.240 45 K C 0.277 176.883 176.600 0.011 0.000 0.983 45 K CA -0.458 55.804 56.287 -0.040 0.000 0.873 45 K CB 0.962 33.395 32.500 -0.113 0.000 1.118 45 K HN 0.044 nan 8.250 nan 0.000 0.441 46 T N 0.879 115.452 114.554 0.032 0.000 2.901 46 T HA 0.028 4.377 4.350 -0.001 0.000 0.301 46 T C 0.042 174.830 174.700 0.147 0.000 1.012 46 T CA 0.055 62.218 62.100 0.105 0.000 1.135 46 T CB 0.760 69.727 68.868 0.165 0.000 0.936 46 T HN 0.411 nan 8.240 nan 0.000 0.539 47 S N 2.484 118.292 115.700 0.181 0.000 2.480 47 S HA 0.507 4.976 4.470 -0.001 0.000 0.286 47 S C -1.158 173.646 174.600 0.340 0.000 1.180 47 S CA -0.699 57.619 58.200 0.196 0.000 1.075 47 S CB 0.115 63.385 63.200 0.116 0.000 0.996 47 S HN 0.472 nan 8.310 nan 0.000 0.487 48 Y N 2.393 122.701 120.300 0.013 0.000 2.387 48 Y HA 0.436 4.986 4.550 -0.001 0.000 0.330 48 Y C 1.047 176.898 175.900 -0.082 0.000 1.133 48 Y CA -1.481 56.550 58.100 -0.114 0.000 1.152 48 Y CB 1.552 39.766 38.460 -0.411 0.000 1.215 48 Y HN 0.805 nan 8.280 nan 0.000 0.466 49 S N 1.451 117.152 115.700 0.002 0.000 2.624 49 S HA 0.264 4.734 4.470 -0.001 0.000 0.263 49 S C 1.342 175.953 174.600 0.018 0.000 1.287 49 S CA -0.562 57.640 58.200 0.004 0.000 0.990 49 S CB 0.435 63.603 63.200 -0.053 0.000 0.950 49 S HN 0.603 nan 8.310 nan 0.000 0.561 50 I N 0.672 121.276 120.570 0.056 0.000 2.145 50 I HA -0.249 3.921 4.170 -0.001 0.000 0.244 50 I C 1.885 178.010 176.117 0.012 0.000 1.075 50 I CA 1.808 63.158 61.300 0.083 0.000 1.332 50 I CB -0.511 37.544 38.000 0.091 0.000 1.033 50 I HN 0.633 nan 8.210 nan 0.000 0.410 51 D N 0.189 120.551 120.400 -0.062 0.000 2.178 51 D HA -0.146 4.494 4.640 -0.001 0.000 0.202 51 D C 2.290 178.521 176.300 -0.115 0.000 0.974 51 D CA 1.002 54.951 54.000 -0.085 0.000 0.841 51 D CB -0.166 40.563 40.800 -0.118 0.000 0.953 51 D HN 0.500 nan 8.370 nan 0.000 0.478 52 Q N 0.353 120.046 119.800 -0.178 0.000 2.083 52 Q HA 0.014 4.354 4.340 -0.001 0.000 0.198 52 Q C 2.256 178.147 176.000 -0.181 0.000 0.969 52 Q CA 1.120 56.731 55.803 -0.319 0.000 0.838 52 Q CB -0.049 28.292 28.738 -0.662 0.000 0.900 52 Q HN 0.179 nan 8.270 nan 0.000 0.436 53 A N 1.365 124.130 122.820 -0.092 0.000 1.908 53 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 53 A C 2.306 179.911 177.584 0.034 0.000 1.181 53 A CA 1.724 53.702 52.037 -0.098 0.000 0.627 53 A CB -0.794 18.235 19.000 0.048 0.000 0.818 53 A HN 0.396 nan 8.150 nan 0.000 0.445 54 A N -0.318 122.527 122.820 0.041 0.000 1.898 54 A HA 0.202 4.521 4.320 -0.001 0.000 0.216 54 A C 2.474 180.077 177.584 0.031 0.000 1.181 54 A CA 1.960 54.035 52.037 0.064 0.000 0.620 54 A CB -0.916 18.118 19.000 0.056 0.000 0.819 54 A HN 1.054 nan 8.150 nan 0.000 0.442 55 A N -0.946 121.858 122.820 -0.027 0.000 1.969 55 A HA -0.126 4.193 4.320 -0.001 0.000 0.218 55 A C 2.125 179.707 177.584 -0.003 0.000 1.169 55 A CA 1.971 53.981 52.037 -0.045 0.000 0.635 55 A CB -0.423 18.511 19.000 -0.110 0.000 0.810 55 A HN 0.543 nan 8.150 nan 0.000 0.445 56 Q N 0.294 120.105 119.800 0.019 0.000 2.079 56 Q HA -0.057 4.282 4.340 -0.001 0.000 0.200 56 Q C 1.667 177.719 176.000 0.085 0.000 0.974 56 Q CA 1.853 57.699 55.803 0.072 0.000 0.840 56 Q CB -0.490 28.318 28.738 0.116 0.000 0.898 56 Q HN 0.665 nan 8.270 nan 0.000 0.430 57 I N 0.210 120.843 120.570 0.105 0.000 2.454 57 I HA -0.190 3.980 4.170 -0.001 0.000 0.254 57 I C 1.501 177.649 176.117 0.052 0.000 1.156 57 I CA 1.589 62.955 61.300 0.110 0.000 1.433 57 I CB -0.311 37.783 38.000 0.157 0.000 1.082 57 I HN 0.350 nan 8.210 nan 0.000 0.432 58 T N -1.870 112.710 114.554 0.045 0.000 3.206 58 T HA 0.087 4.437 4.350 -0.001 0.000 0.253 58 T C 1.630 176.336 174.700 0.010 0.000 1.042 58 T CA -0.502 61.612 62.100 0.025 0.000 0.931 58 T CB -0.322 68.607 68.868 0.101 0.000 1.029 58 T HN 0.429 nan 8.240 nan 0.000 0.564 59 R N 1.206 121.703 120.500 -0.005 0.000 2.241 59 R HA -0.008 4.332 4.340 -0.001 0.000 0.224 59 R C 1.316 177.578 176.300 -0.064 0.000 1.101 59 R CA 0.937 57.029 56.100 -0.013 0.000 0.995 59 R CB -0.424 29.872 30.300 -0.006 0.000 0.870 59 R HN 0.259 nan 8.270 nan 0.000 0.463 60 E N 1.443 121.553 120.200 -0.151 0.000 2.409 60 E HA -0.080 4.269 4.350 -0.001 0.000 0.198 60 E C -0.099 176.371 176.600 -0.217 0.000 1.024 60 E CA 0.222 56.473 56.400 -0.248 0.000 0.861 60 E CB -0.270 29.109 29.700 -0.535 0.000 0.788 60 E HN 0.386 nan 8.360 nan 0.000 0.521 61 N N 0.188 118.796 118.700 -0.154 0.000 2.714 61 N HA -0.184 4.555 4.740 -0.001 0.000 0.253 61 N C -0.801 174.533 175.510 -0.292 0.000 1.024 61 N CA 0.686 53.641 53.050 -0.159 0.000 0.726 61 N CB -1.369 37.094 38.487 -0.040 0.000 0.908 61 N HN 0.054 nan 8.380 nan 0.000 0.542 62 V N -0.426 119.272 119.914 -0.360 0.000 2.888 62 V HA 0.823 4.943 4.120 -0.001 0.000 0.309 62 V C -0.487 175.373 176.094 -0.390 0.000 1.114 62 V CA 0.190 62.272 62.300 -0.363 0.000 0.940 62 V CB 2.342 33.949 31.823 -0.361 0.000 1.021 62 V HN 0.534 nan 8.190 nan 0.000 0.426 63 S N 3.817 119.299 115.700 -0.363 0.000 2.643 63 S HA 0.409 4.879 4.470 -0.001 0.000 0.270 63 S C -0.389 174.093 174.600 -0.197 0.000 1.166 63 S CA -0.483 57.534 58.200 -0.305 0.000 0.815 63 S CB 1.017 63.928 63.200 -0.482 0.000 1.139 63 S HN 0.741 nan 8.310 nan 0.000 0.472 64 W N 1.144 122.523 121.300 0.132 0.000 2.721 64 W HA 0.176 4.835 4.660 -0.001 0.000 0.245 64 W C 1.541 178.088 176.519 0.046 0.000 1.276 64 W CA 0.107 57.509 57.345 0.094 0.000 1.342 64 W CB -0.062 29.466 29.460 0.113 0.000 1.135 64 W HN 0.609 nan 8.180 nan 0.000 0.654 65 N N -0.431 118.369 118.700 0.168 0.000 2.280 65 N HA 0.202 4.942 4.740 -0.001 0.000 0.192 65 N C 0.874 176.373 175.510 -0.018 0.000 1.109 65 N CA 1.229 54.323 53.050 0.074 0.000 0.855 65 N CB 0.615 39.114 38.487 0.020 0.000 0.974 65 N HN 0.160 nan 8.380 nan 0.000 0.482 66 G N 0.144 108.903 108.800 -0.069 0.000 2.342 66 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.220 66 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.220 66 G C -0.730 174.062 174.900 -0.181 0.000 1.243 66 G CA -0.356 44.683 45.100 -0.101 0.000 1.083 66 G HN 0.195 nan 8.290 nan 0.000 0.500 67 T N -2.168 112.292 114.554 -0.156 0.000 2.875 67 T HA 0.563 4.913 4.350 -0.001 0.000 0.284 67 T C 0.509 175.085 174.700 -0.207 0.000 0.995 67 T CA 0.544 62.532 62.100 -0.186 0.000 1.060 67 T CB 1.300 70.096 68.868 -0.119 0.000 0.967 67 T HN 1.690 nan 8.240 nan 0.000 0.476 68 N N -0.540 117.986 118.700 -0.291 0.000 2.735 68 N HA -0.122 4.618 4.740 -0.001 0.000 0.248 68 N C -0.802 174.510 175.510 -0.329 0.000 1.083 68 N CA 0.597 53.499 53.050 -0.246 0.000 0.703 68 N CB -1.360 37.129 38.487 0.003 0.000 1.005 68 N HN 0.585 nan 8.380 nan 0.000 0.550 69 V N 0.984 120.546 119.914 -0.586 0.000 2.384 69 V HA 0.579 4.699 4.120 -0.001 0.000 0.287 69 V C -0.052 175.661 176.094 -0.636 0.000 1.020 69 V CA -0.414 61.656 62.300 -0.384 0.000 0.850 69 V CB 0.655 32.330 31.823 -0.247 0.000 0.987 69 V HN 0.110 nan 8.190 nan 0.000 0.436 70 F N 1.558 121.446 119.950 -0.103 0.000 2.546 70 F HA 0.718 5.245 4.527 -0.001 0.000 0.320 70 F C 1.100 176.851 175.800 -0.081 0.000 1.076 70 F CA 0.022 57.952 58.000 -0.117 0.000 0.928 70 F CB 2.164 41.110 39.000 -0.090 0.000 1.189 70 F HN 0.672 nan 8.300 nan 0.000 0.465 71 G N 1.571 110.435 108.800 0.107 0.000 2.160 71 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.251 71 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.251 71 G C -0.290 174.646 174.900 0.060 0.000 1.008 71 G CA -0.236 44.913 45.100 0.081 0.000 0.724 71 G HN 0.392 nan 8.290 nan 0.000 0.514 72 K N 1.103 121.521 120.400 0.029 0.000 2.323 72 K HA 0.607 4.927 4.320 -0.001 0.000 0.259 72 K C 0.854 177.541 176.600 0.145 0.000 0.947 72 K CA 0.117 56.438 56.287 0.057 0.000 0.819 72 K CB 1.368 33.877 32.500 0.015 0.000 1.109 72 K HN 0.462 nan 8.250 nan 0.000 0.429 73 S N 1.952 117.733 115.700 0.134 0.000 2.617 73 S HA 0.772 5.242 4.470 -0.001 0.000 0.259 73 S C -0.095 174.585 174.600 0.134 0.000 1.301 73 S CA -0.577 57.713 58.200 0.149 0.000 0.984 73 S CB 1.213 64.454 63.200 0.068 0.000 0.954 73 S HN 0.640 nan 8.310 nan 0.000 0.572 74 A N 0.822 123.652 122.820 0.016 0.000 2.604 74 A HA 0.665 4.984 4.320 -0.001 0.000 0.295 74 A C -1.382 176.093 177.584 -0.181 0.000 1.067 74 A CA -1.124 50.885 52.037 -0.046 0.000 0.683 74 A CB 0.914 19.919 19.000 0.009 0.000 1.281 74 A HN 0.862 nan 8.150 nan 0.000 0.407 75 N N 0.628 119.236 118.700 -0.153 0.000 2.479 75 N HA 0.613 5.352 4.740 -0.001 0.000 0.261 75 N C -1.091 174.294 175.510 -0.208 0.000 0.979 75 N CA -0.238 52.704 53.050 -0.180 0.000 0.930 75 N CB 1.461 39.885 38.487 -0.105 0.000 1.172 75 N HN 0.558 nan 8.380 nan 0.000 0.499 76 L N 0.944 122.005 121.223 -0.269 0.000 2.322 76 L HA 0.652 4.992 4.340 -0.001 0.000 0.269 76 L C 0.461 177.298 176.870 -0.055 0.000 1.012 76 L CA -0.942 53.747 54.840 -0.251 0.000 0.815 76 L CB 1.871 43.741 42.059 -0.315 0.000 1.295 76 L HN 0.463 nan 8.230 nan 0.000 0.438 77 T N -1.388 113.105 114.554 -0.103 0.000 2.940 77 T HA 0.778 5.127 4.350 -0.001 0.000 0.288 77 T C -0.663 174.062 174.700 0.042 0.000 1.033 77 T CA -0.608 61.471 62.100 -0.034 0.000 1.033 77 T CB 1.724 70.499 68.868 -0.154 0.000 1.079 77 T HN 0.419 nan 8.240 nan 0.000 0.496 78 F N -1.505 118.369 119.950 -0.127 0.000 2.626 78 F HA 0.867 5.394 4.527 -0.001 0.000 0.311 78 F C -0.933 174.707 175.800 -0.267 0.000 1.088 78 F CA -1.238 56.640 58.000 -0.204 0.000 0.949 78 F CB 2.094 40.995 39.000 -0.164 0.000 1.322 78 F HN 0.795 nan 8.300 nan 0.000 0.461 79 K N 2.365 122.601 120.400 -0.274 0.000 2.525 79 K HA 0.460 4.779 4.320 -0.001 0.000 0.254 79 K C -2.237 174.135 176.600 -0.380 0.000 0.934 79 K CA -0.667 55.398 56.287 -0.369 0.000 0.802 79 K CB 1.864 34.227 32.500 -0.228 0.000 1.295 79 K HN 0.759 nan 8.250 nan 0.000 0.433 80 F N 4.935 124.893 119.950 0.013 0.000 2.368 80 F HA 0.279 4.805 4.527 -0.001 0.000 0.362 80 F C 0.594 176.405 175.800 0.019 0.000 1.137 80 F CA -0.750 57.237 58.000 -0.022 0.000 1.161 80 F CB 0.495 39.485 39.000 -0.016 0.000 1.265 80 F HN 0.201 nan 8.300 nan 0.000 0.530 81 L N 4.274 125.578 121.223 0.135 0.000 2.559 81 L HA -0.060 4.280 4.340 -0.001 0.000 0.282 81 L C 1.201 178.279 176.870 0.347 0.000 1.232 81 L CA 0.073 55.013 54.840 0.167 0.000 0.885 81 L CB 0.464 42.598 42.059 0.124 0.000 1.131 81 L HN 0.616 nan 8.230 nan 0.000 0.498 82 Q N 1.420 121.353 119.800 0.221 0.000 2.352 82 Q HA 0.140 4.479 4.340 -0.001 0.000 0.212 82 Q C 0.181 176.346 176.000 0.274 0.000 0.888 82 Q CA 0.291 56.255 55.803 0.268 0.000 0.934 82 Q CB 0.919 29.744 28.738 0.146 0.000 1.093 82 Q HN 0.849 nan 8.270 nan 0.000 0.523 83 S N -1.187 114.502 115.700 -0.019 0.000 2.615 83 S HA 0.641 5.111 4.470 -0.001 0.000 0.268 83 S C -0.810 173.466 174.600 -0.539 0.000 1.146 83 S CA -0.539 57.496 58.200 -0.275 0.000 0.818 83 S CB 1.436 64.606 63.200 -0.051 0.000 1.111 83 S HN 0.081 nan 8.310 nan 0.000 0.465 84 V N -1.152 118.440 119.914 -0.537 0.000 3.114 84 V HA 0.838 4.958 4.120 -0.001 0.000 0.308 84 V C 0.809 176.795 176.094 -0.180 0.000 1.168 84 V CA -0.128 61.958 62.300 -0.357 0.000 1.015 84 V CB 1.242 32.814 31.823 -0.420 0.000 1.050 84 V HN 1.511 nan 8.190 nan 0.000 0.433 85 S N 0.883 116.518 115.700 -0.109 0.000 2.439 85 S HA 0.327 4.797 4.470 -0.001 0.000 0.224 85 S C 0.789 175.350 174.600 -0.065 0.000 1.029 85 S CA 0.593 58.752 58.200 -0.069 0.000 0.946 85 S CB -0.340 62.830 63.200 -0.050 0.000 0.797 85 S HN 2.210 nan 8.310 nan 0.000 0.504 86 S N -0.148 115.503 115.700 -0.081 0.000 2.615 86 S HA 0.628 5.097 4.470 -0.001 0.000 0.268 86 S C -1.402 173.106 174.600 -0.152 0.000 1.146 86 S CA -1.209 56.934 58.200 -0.095 0.000 0.818 86 S CB 0.454 63.605 63.200 -0.082 0.000 1.111 86 S HN 0.281 nan 8.310 nan 0.000 0.465 87 I N 2.127 122.553 120.570 -0.239 0.000 2.354 87 I HA 0.374 4.543 4.170 -0.001 0.000 0.292 87 I C -1.452 174.433 176.117 -0.388 0.000 0.989 87 I CA -2.657 58.334 61.300 -0.514 0.000 1.188 87 I CB 2.160 39.755 38.000 -0.675 0.000 1.342 87 I HN 0.567 nan 8.210 nan 0.000 0.457 88 P HA -0.143 nan 4.420 nan 0.000 0.223 88 P C 1.113 178.307 177.300 -0.175 0.000 1.144 88 P CA 1.085 64.025 63.100 -0.267 0.000 0.783 88 P CB 0.130 31.579 31.700 -0.418 0.000 0.771 89 S N -2.039 113.560 115.700 -0.169 0.000 2.528 89 S HA 0.288 4.757 4.470 -0.001 0.000 0.219 89 S C 1.780 176.270 174.600 -0.183 0.000 0.985 89 S CA 0.597 58.713 58.200 -0.140 0.000 0.914 89 S CB -0.830 62.174 63.200 -0.327 0.000 0.776 89 S HN 0.311 nan 8.310 nan 0.000 0.526 90 G N 1.076 109.769 108.800 -0.178 0.000 2.241 90 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.244 90 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.244 90 G C -0.227 174.596 174.900 -0.128 0.000 0.998 90 G CA 0.060 45.079 45.100 -0.135 0.000 0.621 90 G HN 0.521 nan 8.290 nan 0.000 0.519 91 D N 1.471 121.765 120.400 -0.178 0.000 2.378 91 D HA 0.501 5.141 4.640 -0.001 0.000 0.238 91 D C 1.261 177.542 176.300 -0.032 0.000 1.180 91 D CA 1.456 55.382 54.000 -0.123 0.000 0.895 91 D CB 1.054 41.692 40.800 -0.270 0.000 1.192 91 D HN 0.669 nan 8.370 nan 0.000 0.438 92 T N -3.915 110.687 114.554 0.079 0.000 2.626 92 T HA 0.575 4.925 4.350 -0.001 0.000 0.279 92 T C 0.672 175.497 174.700 0.209 0.000 0.983 92 T CA -0.348 61.823 62.100 0.118 0.000 1.059 92 T CB 1.277 70.193 68.868 0.080 0.000 1.396 92 T HN 0.551 nan 8.240 nan 0.000 0.519 93 G N 0.625 109.541 108.800 0.192 0.000 2.272 93 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.280 93 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.280 93 G C -0.191 174.854 174.900 0.242 0.000 1.067 93 G CA -0.071 45.147 45.100 0.196 0.000 0.902 93 G HN 1.117 nan 8.290 nan 0.000 0.500 94 F N 0.188 120.226 119.950 0.147 0.000 2.629 94 F HA 0.403 4.930 4.527 -0.001 0.000 0.377 94 F C 0.372 176.239 175.800 0.111 0.000 1.101 94 F CA 0.462 58.571 58.000 0.181 0.000 1.301 94 F CB 0.730 39.837 39.000 0.180 0.000 1.062 94 F HN 0.163 nan 8.300 nan 0.000 0.583 95 V N 6.655 126.026 119.914 -0.905 0.000 2.686 95 V HA 0.243 4.363 4.120 -0.001 0.000 0.306 95 V C -0.475 174.905 176.094 -1.190 0.000 1.065 95 V CA -1.257 60.495 62.300 -0.913 0.000 0.894 95 V CB 1.867 33.224 31.823 -0.777 0.000 1.004 95 V HN 0.799 nan 8.190 nan 0.000 0.424 96 K N 3.743 123.654 120.400 -0.816 0.000 2.180 96 K HA 0.422 4.741 4.320 -0.001 0.000 0.251 96 K C -0.333 176.265 176.600 -0.004 0.000 1.014 96 K CA -0.385 55.749 56.287 -0.255 0.000 0.913 96 K CB 0.885 33.447 32.500 0.102 0.000 1.008 96 K HN 0.418 nan 8.250 nan 0.000 0.490 97 F N 1.981 121.902 119.950 -0.049 0.000 2.518 97 F HA -0.070 4.456 4.527 -0.001 0.000 0.359 97 F C 1.159 176.907 175.800 -0.088 0.000 1.118 97 F CA -0.621 57.349 58.000 -0.050 0.000 1.287 97 F CB 0.587 39.545 39.000 -0.070 0.000 1.132 97 F HN 0.779 nan 8.300 nan 0.000 0.587 98 N N 2.608 121.303 118.700 -0.008 0.000 2.413 98 N HA 0.332 5.072 4.740 -0.001 0.000 0.266 98 N C 0.421 175.876 175.510 -0.091 0.000 1.238 98 N CA -0.111 52.927 53.050 -0.021 0.000 0.972 98 N CB 0.559 39.072 38.487 0.043 0.000 1.210 98 N HN 0.542 nan 8.380 nan 0.000 0.547 99 A N -0.483 122.290 122.820 -0.078 0.000 1.902 99 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 99 A C 1.974 179.488 177.584 -0.116 0.000 1.181 99 A CA 1.698 53.674 52.037 -0.102 0.000 0.623 99 A CB -1.117 17.844 19.000 -0.065 0.000 0.818 99 A HN 0.904 nan 8.150 nan 0.000 0.443 100 E N -0.333 119.806 120.200 -0.102 0.000 2.072 100 E HA -0.236 4.113 4.350 -0.001 0.000 0.191 100 E C 2.142 178.673 176.600 -0.116 0.000 0.985 100 E CA 1.224 57.563 56.400 -0.102 0.000 0.801 100 E CB -0.167 29.471 29.700 -0.103 0.000 0.750 100 E HN 0.759 nan 8.360 nan 0.000 0.452 101 Q N 0.184 119.881 119.800 -0.173 0.000 2.124 101 Q HA -0.167 4.173 4.340 -0.001 0.000 0.202 101 Q C 2.324 178.257 176.000 -0.111 0.000 0.977 101 Q CA 1.470 57.151 55.803 -0.203 0.000 0.850 101 Q CB -0.086 28.156 28.738 -0.827 0.000 0.901 101 Q HN 0.421 nan 8.270 nan 0.000 0.429 102 I N 0.447 120.876 120.570 -0.235 0.000 2.179 102 I HA -0.258 3.911 4.170 -0.001 0.000 0.242 102 I C 2.427 178.425 176.117 -0.198 0.000 1.088 102 I CA 1.039 62.047 61.300 -0.487 0.000 1.357 102 I CB -0.138 37.441 38.000 -0.701 0.000 1.051 102 I HN 0.183 nan 8.210 nan 0.000 0.409 103 E N 0.769 120.900 120.200 -0.115 0.000 2.051 103 E HA -0.227 4.123 4.350 -0.001 0.000 0.192 103 E C 2.181 178.782 176.600 0.002 0.000 0.991 103 E CA 1.480 57.854 56.400 -0.042 0.000 0.799 103 E CB -0.091 29.584 29.700 -0.041 0.000 0.748 103 E HN 0.328 nan 8.360 nan 0.000 0.449 104 Q N -0.190 119.627 119.800 0.028 0.000 2.119 104 Q HA -0.052 4.287 4.340 -0.001 0.000 0.201 104 Q C 2.160 178.279 176.000 0.199 0.000 0.972 104 Q CA 1.434 57.288 55.803 0.085 0.000 0.847 104 Q CB -0.520 28.225 28.738 0.012 0.000 0.903 104 Q HN 0.381 nan 8.270 nan 0.000 0.433 105 A N 1.497 124.440 122.820 0.204 0.000 1.902 105 A HA -0.201 4.118 4.320 -0.001 0.000 0.217 105 A C 2.097 179.597 177.584 -0.140 0.000 1.181 105 A CA 1.620 53.619 52.037 -0.063 0.000 0.623 105 A CB -0.334 18.338 19.000 -0.546 0.000 0.818 105 A HN 0.267 nan 8.150 nan 0.000 0.443 106 K N -0.337 120.018 120.400 -0.075 0.000 2.097 106 K HA -0.019 4.301 4.320 -0.001 0.000 0.206 106 K C 1.787 178.363 176.600 -0.041 0.000 1.049 106 K CA 1.254 57.482 56.287 -0.100 0.000 0.933 106 K CB -0.356 32.161 32.500 0.027 0.000 0.717 106 K HN 0.476 nan 8.250 nan 0.000 0.442 107 L N 0.483 121.717 121.223 0.019 0.000 2.046 107 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 107 L C 2.341 179.245 176.870 0.057 0.000 1.077 107 L CA 1.064 55.941 54.840 0.060 0.000 0.747 107 L CB -0.408 41.695 42.059 0.073 0.000 0.896 107 L HN 0.113 nan 8.230 nan 0.000 0.432 108 S N 0.162 115.890 115.700 0.046 0.000 2.368 108 S HA -0.131 4.339 4.470 -0.001 0.000 0.225 108 S C 1.994 176.632 174.600 0.065 0.000 1.030 108 S CA 1.169 59.393 58.200 0.039 0.000 0.999 108 S CB -0.317 62.984 63.200 0.169 0.000 0.844 108 S HN 0.274 nan 8.310 nan 0.000 0.459 109 L N 1.317 122.523 121.223 -0.029 0.000 2.042 109 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 109 L C 2.829 179.770 176.870 0.118 0.000 1.076 109 L CA 1.502 56.236 54.840 -0.177 0.000 0.749 109 L CB -0.486 41.139 42.059 -0.724 0.000 0.893 109 L HN 0.405 nan 8.230 nan 0.000 0.432 110 Q N -0.064 119.796 119.800 0.101 0.000 2.167 110 Q HA -0.192 4.148 4.340 -0.001 0.000 0.202 110 Q C 2.277 178.404 176.000 0.212 0.000 0.970 110 Q CA 1.765 57.683 55.803 0.192 0.000 0.855 110 Q CB 0.039 28.866 28.738 0.149 0.000 0.911 110 Q HN 0.574 nan 8.270 nan 0.000 0.438 111 S N -1.169 114.600 115.700 0.115 0.000 2.423 111 S HA -0.134 4.336 4.470 -0.001 0.000 0.231 111 S C 1.346 175.904 174.600 -0.070 0.000 1.014 111 S CA 0.669 58.858 58.200 -0.018 0.000 0.965 111 S CB -0.643 62.304 63.200 -0.422 0.000 0.785 111 S HN 0.597 nan 8.310 nan 0.000 0.495 112 W N 2.410 123.780 121.300 0.116 0.000 2.441 112 W HA 0.053 4.712 4.660 -0.001 0.000 0.302 112 W C 3.082 179.694 176.519 0.156 0.000 1.191 112 W CA 0.735 58.166 57.345 0.143 0.000 1.327 112 W CB -0.374 29.203 29.460 0.195 0.000 1.128 112 W HN 0.454 nan 8.180 nan 0.000 0.522 113 S N -0.594 115.386 115.700 0.467 0.000 2.481 113 S HA -0.147 4.322 4.470 -0.001 0.000 0.231 113 S C 1.229 175.948 174.600 0.198 0.000 0.996 113 S CA 1.306 59.658 58.200 0.253 0.000 0.942 113 S CB -0.414 62.920 63.200 0.223 0.000 0.768 113 S HN 0.087 nan 8.310 nan 0.000 0.520 114 D N 1.693 122.239 120.400 0.242 0.000 2.144 114 D HA -0.070 4.569 4.640 -0.001 0.000 0.199 114 D C 2.078 178.522 176.300 0.239 0.000 0.984 114 D CA 1.561 55.726 54.000 0.275 0.000 0.834 114 D CB -0.092 40.916 40.800 0.346 0.000 0.955 114 D HN 0.554 nan 8.370 nan 0.000 0.465 115 V N -2.932 117.029 119.914 0.080 0.000 3.379 115 V HA 0.539 4.659 4.120 -0.001 0.000 0.249 115 V C 0.695 176.588 176.094 -0.335 0.000 1.184 115 V CA 0.450 62.554 62.300 -0.326 0.000 1.106 115 V CB 0.157 31.817 31.823 -0.271 0.000 0.826 115 V HN 0.060 nan 8.190 nan 0.000 0.465 116 A N 0.854 123.650 122.820 -0.040 0.000 2.350 116 A HA 0.648 4.968 4.320 -0.001 0.000 0.318 116 A C -0.197 177.397 177.584 0.016 0.000 1.132 116 A CA -0.677 51.362 52.037 0.004 0.000 0.811 116 A CB 0.900 19.974 19.000 0.123 0.000 1.313 116 A HN 0.216 nan 8.150 nan 0.000 0.454 117 N N 1.063 119.787 118.700 0.040 0.000 2.739 117 N HA 0.319 5.059 4.740 -0.001 0.000 0.266 117 N C -1.266 174.198 175.510 -0.078 0.000 1.168 117 N CA 0.396 53.457 53.050 0.017 0.000 1.055 117 N CB -0.889 37.633 38.487 0.059 0.000 1.393 117 N HN 0.509 nan 8.380 nan 0.000 0.514 118 L N 0.875 121.990 121.223 -0.179 0.000 2.388 118 L HA 0.513 4.853 4.340 -0.001 0.000 0.264 118 L C 0.222 176.849 176.870 -0.404 0.000 0.998 118 L CA -0.864 53.724 54.840 -0.421 0.000 0.817 118 L CB 2.295 43.964 42.059 -0.649 0.000 1.338 118 L HN 0.218 nan 8.230 nan 0.000 0.414 119 T N -1.581 112.695 114.554 -0.464 0.000 2.887 119 T HA 0.703 5.052 4.350 -0.001 0.000 0.288 119 T C -0.817 173.591 174.700 -0.486 0.000 1.021 119 T CA -0.551 61.349 62.100 -0.333 0.000 1.000 119 T CB 1.332 70.121 68.868 -0.131 0.000 1.034 119 T HN 0.196 nan 8.240 nan 0.000 0.467 120 F N 0.952 120.933 119.950 0.053 0.000 2.467 120 F HA 0.572 5.099 4.527 -0.001 0.000 0.336 120 F C 0.485 176.453 175.800 0.279 0.000 1.123 120 F CA -0.762 57.327 58.000 0.148 0.000 0.964 120 F CB 2.596 41.635 39.000 0.066 0.000 1.136 120 F HN 0.590 nan 8.300 nan 0.000 0.447 121 T N 2.270 117.070 114.554 0.410 0.000 2.841 121 T HA 0.177 4.527 4.350 -0.001 0.000 0.285 121 T C -0.745 173.829 174.700 -0.212 0.000 0.991 121 T CA -0.781 61.412 62.100 0.154 0.000 0.966 121 T CB 1.674 70.557 68.868 0.026 0.000 0.962 121 T HN 0.554 nan 8.240 nan 0.000 0.438 122 E N 2.430 122.318 120.200 -0.519 0.000 2.338 122 E HA 0.443 4.793 4.350 -0.001 0.000 0.272 122 E C -0.238 176.062 176.600 -0.501 0.000 1.029 122 E CA -0.620 55.127 56.400 -1.089 0.000 0.872 122 E CB 0.665 29.845 29.700 -0.867 0.000 1.015 122 E HN 0.503 nan 8.360 nan 0.000 0.417 123 V N 1.003 120.643 119.914 -0.457 0.000 2.960 123 V HA 0.774 4.894 4.120 -0.001 0.000 0.315 123 V C -0.088 175.890 176.094 -0.193 0.000 1.087 123 V CA -0.318 61.834 62.300 -0.247 0.000 0.982 123 V CB 1.526 33.233 31.823 -0.194 0.000 1.039 123 V HN 0.868 nan 8.190 nan 0.000 0.437 124 T N -1.373 113.112 114.554 -0.115 0.000 2.669 124 T HA 0.909 5.258 4.350 -0.001 0.000 0.283 124 T C 0.775 175.445 174.700 -0.049 0.000 1.019 124 T CA 0.132 62.193 62.100 -0.065 0.000 1.039 124 T CB 0.910 69.758 68.868 -0.034 0.000 1.374 124 T HN 2.590 nan 8.240 nan 0.000 0.523 125 G N 1.508 110.293 108.800 -0.025 0.000 2.574 125 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.286 125 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.286 125 G C 0.311 175.193 174.900 -0.030 0.000 1.212 125 G CA 0.624 45.711 45.100 -0.021 0.000 0.979 125 G HN 0.966 nan 8.290 nan 0.000 0.557 126 N N 1.480 120.161 118.700 -0.032 0.000 2.336 126 N HA 0.183 4.922 4.740 -0.001 0.000 0.189 126 N C 0.449 175.930 175.510 -0.047 0.000 1.113 126 N CA 0.583 53.611 53.050 -0.036 0.000 0.858 126 N CB 0.284 38.753 38.487 -0.029 0.000 0.970 126 N HN 0.581 nan 8.380 nan 0.000 0.471 127 K N 0.989 121.355 120.400 -0.057 0.000 2.382 127 K HA 0.119 4.439 4.320 -0.001 0.000 0.275 127 K C 0.523 177.073 176.600 -0.082 0.000 1.009 127 K CA -0.145 56.101 56.287 -0.069 0.000 0.970 127 K CB 0.623 33.075 32.500 -0.080 0.000 0.934 127 K HN 0.114 nan 8.250 nan 0.000 0.479 128 S N 0.968 116.620 115.700 -0.081 0.000 2.603 128 S HA 0.549 5.018 4.470 -0.001 0.000 0.268 128 S C -0.205 174.320 174.600 -0.125 0.000 1.317 128 S CA -0.787 57.358 58.200 -0.091 0.000 1.012 128 S CB 1.290 64.445 63.200 -0.075 0.000 0.926 128 S HN 0.681 nan 8.310 nan 0.000 0.539 129 A N 1.521 124.254 122.820 -0.145 0.000 2.539 129 A HA 0.607 4.926 4.320 -0.001 0.000 0.296 129 A C 0.285 177.726 177.584 -0.239 0.000 1.073 129 A CA -1.030 50.893 52.037 -0.191 0.000 0.700 129 A CB 0.796 19.680 19.000 -0.194 0.000 1.296 129 A HN 0.883 nan 8.150 nan 0.000 0.405 130 N N 0.029 118.503 118.700 -0.376 0.000 2.106 130 N HA 0.035 4.775 4.740 -0.001 0.000 0.188 130 N C 0.034 175.350 175.510 -0.323 0.000 1.029 130 N CA 1.271 53.897 53.050 -0.706 0.000 0.848 130 N CB -0.020 37.708 38.487 -1.266 0.000 1.007 130 N HN 0.653 nan 8.380 nan 0.000 0.423 131 I N 0.731 121.157 120.570 -0.240 0.000 2.406 131 I HA 0.237 4.406 4.170 -0.001 0.000 0.290 131 I C -0.362 175.538 176.117 -0.361 0.000 0.999 131 I CA -0.619 60.543 61.300 -0.229 0.000 1.124 131 I CB 1.751 39.619 38.000 -0.219 0.000 1.289 131 I HN 0.090 nan 8.210 nan 0.000 0.441 132 T N 2.052 116.293 114.554 -0.521 0.000 2.930 132 T HA 0.728 5.078 4.350 -0.001 0.000 0.290 132 T C -0.828 173.290 174.700 -0.970 0.000 1.052 132 T CA -0.678 61.077 62.100 -0.573 0.000 1.017 132 T CB 1.924 70.561 68.868 -0.386 0.000 1.137 132 T HN 0.187 nan 8.240 nan 0.000 0.511 133 F N -0.302 119.290 119.950 -0.598 0.000 2.556 133 F HA 0.789 5.316 4.527 -0.001 0.000 0.314 133 F C 0.657 176.059 175.800 -0.663 0.000 1.106 133 F CA -0.400 57.150 58.000 -0.750 0.000 0.911 133 F CB 2.791 41.070 39.000 -1.201 0.000 1.190 133 F HN 1.171 nan 8.300 nan 0.000 0.448 134 G N 1.936 110.608 108.800 -0.213 0.000 2.673 134 G HA2 0.374 4.333 3.960 -0.001 0.000 0.292 134 G HA3 0.374 4.333 3.960 -0.001 0.000 0.292 134 G C -2.008 173.290 174.900 0.663 0.000 1.450 134 G CA -0.993 44.289 45.100 0.304 0.000 0.837 134 G HN 0.434 nan 8.290 nan 0.000 0.505 135 N N -0.704 118.293 118.700 0.496 0.000 2.477 135 N HA 0.669 5.408 4.740 -0.001 0.000 0.284 135 N C -1.051 174.704 175.510 0.408 0.000 1.182 135 N CA -0.231 53.079 53.050 0.432 0.000 0.949 135 N CB 1.956 40.550 38.487 0.179 0.000 1.204 135 N HN 0.676 nan 8.380 nan 0.000 0.526 136 Y N -2.904 117.599 120.300 0.338 0.000 2.634 136 Y HA 0.643 5.192 4.550 -0.001 0.000 0.340 136 Y C 0.573 176.611 175.900 0.230 0.000 1.058 136 Y CA -0.917 57.342 58.100 0.264 0.000 1.081 136 Y CB 1.125 39.739 38.460 0.255 0.000 1.295 136 Y HN 0.522 nan 8.280 nan 0.000 0.487 137 T N -2.770 111.966 114.554 0.303 0.000 3.131 137 T HA 0.490 4.840 4.350 -0.001 0.000 0.283 137 T C 0.026 174.877 174.700 0.252 0.000 0.906 137 T CA -0.394 61.825 62.100 0.199 0.000 0.882 137 T CB 0.097 69.062 68.868 0.162 0.000 1.208 137 T HN 0.678 nan 8.240 nan 0.000 0.561 138 R N 1.524 122.206 120.500 0.303 0.000 2.774 138 R HA 0.586 4.925 4.340 -0.001 0.000 0.272 138 R C -1.392 175.020 176.300 0.187 0.000 1.000 138 R CA -0.833 55.392 56.100 0.209 0.000 0.906 138 R CB 1.346 31.735 30.300 0.149 0.000 1.227 138 R HN 0.278 nan 8.270 nan 0.000 0.468 139 D N 0.453 120.918 120.400 0.110 0.000 2.478 139 D HA 0.206 4.846 4.640 -0.001 0.000 0.274 139 D C 0.844 177.156 176.300 0.020 0.000 1.234 139 D CA -0.438 53.590 54.000 0.047 0.000 1.069 139 D CB 0.287 41.101 40.800 0.023 0.000 1.113 139 D HN 0.458 nan 8.370 nan 0.000 0.571 140 A N -0.531 122.280 122.820 -0.015 0.000 2.070 140 A HA -0.090 4.229 4.320 -0.001 0.000 0.220 140 A C 2.025 179.607 177.584 -0.002 0.000 1.159 140 A CA 1.333 53.359 52.037 -0.019 0.000 0.656 140 A CB -0.838 18.138 19.000 -0.039 0.000 0.800 140 A HN 0.437 nan 8.150 nan 0.000 0.453 141 S N -1.608 114.094 115.700 0.004 0.000 2.561 141 S HA 0.306 4.775 4.470 -0.001 0.000 0.225 141 S C 1.489 176.103 174.600 0.023 0.000 0.977 141 S CA 0.880 59.086 58.200 0.010 0.000 0.926 141 S CB -0.070 63.135 63.200 0.008 0.000 0.769 141 S HN 1.582 nan 8.310 nan 0.000 0.533 142 G N 1.893 110.714 108.800 0.035 0.000 2.157 142 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.248 142 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.248 142 G C -0.246 174.688 174.900 0.057 0.000 0.979 142 G CA -0.356 44.773 45.100 0.049 0.000 0.650 142 G HN 0.457 nan 8.290 nan 0.000 0.529 143 N N 0.026 118.758 118.700 0.054 0.000 2.509 143 N HA 0.497 5.236 4.740 -0.001 0.000 0.287 143 N C 0.227 175.785 175.510 0.080 0.000 1.121 143 N CA -0.638 52.447 53.050 0.059 0.000 0.977 143 N CB 1.750 40.262 38.487 0.042 0.000 1.167 143 N HN 0.267 nan 8.380 nan 0.000 0.476 144 L N 1.434 122.716 121.223 0.099 0.000 2.540 144 L HA 0.001 4.341 4.340 -0.001 0.000 0.276 144 L C 0.127 177.061 176.870 0.107 0.000 1.212 144 L CA 0.501 55.420 54.840 0.132 0.000 0.893 144 L CB 0.075 42.236 42.059 0.169 0.000 1.138 144 L HN 0.450 nan 8.230 nan 0.000 0.491 145 D N 3.492 123.970 120.400 0.129 0.000 2.441 145 D HA 0.153 4.793 4.640 -0.001 0.000 0.231 145 D C -0.291 176.077 176.300 0.113 0.000 1.073 145 D CA -0.289 53.755 54.000 0.073 0.000 0.850 145 D CB 0.574 41.489 40.800 0.191 0.000 1.062 145 D HN 0.475 nan 8.370 nan 0.000 0.524 146 Y N 1.849 122.205 120.300 0.094 0.000 2.584 146 Y HA 0.525 5.075 4.550 -0.000 0.000 0.254 146 Y C 1.308 177.250 175.900 0.069 0.000 1.177 146 Y CA -0.471 57.669 58.100 0.067 0.000 1.216 146 Y CB 0.414 38.901 38.460 0.043 0.000 1.172 146 Y HN 0.257 nan 8.280 nan 0.000 0.529 147 G N 0.598 109.351 108.800 -0.080 0.000 2.651 147 G HA2 0.062 4.022 3.960 -0.001 0.000 0.207 147 G HA3 0.062 4.022 3.960 -0.001 0.000 0.207 147 G C 0.728 175.679 174.900 0.084 0.000 1.131 147 G CA 0.620 45.709 45.100 -0.018 0.000 0.816 147 G HN 0.437 nan 8.290 nan 0.000 0.534 148 T N -2.185 112.453 114.554 0.141 0.000 2.788 148 T HA 0.498 4.848 4.350 -0.001 0.000 0.280 148 T C 0.791 175.643 174.700 0.253 0.000 0.984 148 T CA 0.236 62.466 62.100 0.217 0.000 0.972 148 T CB 2.096 71.157 68.868 0.322 0.000 1.039 148 T HN 0.161 nan 8.240 nan 0.000 0.530 149 Q N 0.196 120.173 119.800 0.295 0.000 2.618 149 Q HA 0.643 4.982 4.340 -0.001 0.000 0.209 149 Q C -0.095 176.100 176.000 0.325 0.000 0.797 149 Q CA 0.648 56.610 55.803 0.264 0.000 0.888 149 Q CB 0.427 29.303 28.738 0.231 0.000 1.244 149 Q HN 1.170 nan 8.270 nan 0.000 0.626 150 A N -1.074 121.952 122.820 0.343 0.000 2.566 150 A HA 0.640 4.959 4.320 -0.001 0.000 0.290 150 A C -1.881 175.864 177.584 0.269 0.000 1.071 150 A CA -0.262 51.913 52.037 0.230 0.000 0.658 150 A CB 0.432 19.552 19.000 0.198 0.000 1.285 150 A HN 0.547 nan 8.150 nan 0.000 0.427 151 Y N -3.072 117.304 120.300 0.127 0.000 2.750 151 Y HA 0.909 5.458 4.550 -0.001 0.000 0.335 151 Y C -0.367 175.557 175.900 0.040 0.000 1.252 151 Y CA -0.799 57.350 58.100 0.082 0.000 1.064 151 Y CB 0.756 39.205 38.460 -0.018 0.000 1.321 151 Y HN 1.965 nan 8.280 nan 0.000 0.451 152 A N 0.142 123.029 122.820 0.112 0.000 2.599 152 A HA 0.802 5.121 4.320 -0.001 0.000 0.290 152 A C -2.597 174.836 177.584 -0.252 0.000 1.101 152 A CA -0.989 51.078 52.037 0.050 0.000 0.674 152 A CB 1.192 20.250 19.000 0.096 0.000 1.277 152 A HN 0.713 nan 8.150 nan 0.000 0.419 153 Y N -0.312 120.016 120.300 0.047 0.000 2.393 153 Y HA 0.527 5.077 4.550 -0.001 0.000 0.341 153 Y C -0.083 175.826 175.900 0.015 0.000 0.988 153 Y CA -0.205 57.904 58.100 0.015 0.000 1.078 153 Y CB 1.357 39.945 38.460 0.213 0.000 1.203 153 Y HN 0.656 nan 8.280 nan 0.000 0.453 154 Y N 3.404 123.803 120.300 0.165 0.000 2.511 154 Y HA 0.051 4.600 4.550 -0.001 0.000 0.347 154 Y C -1.773 174.034 175.900 -0.156 0.000 1.257 154 Y CA -1.810 56.288 58.100 -0.003 0.000 1.469 154 Y CB 0.016 38.459 38.460 -0.029 0.000 1.353 154 Y HN 0.364 nan 8.280 nan 0.000 0.617 155 P HA 0.174 nan 4.420 nan 0.000 0.268 155 P C -0.196 176.741 177.300 -0.605 0.000 1.208 155 P CA 0.376 62.746 63.100 -1.217 0.000 0.777 155 P CB 0.706 31.389 31.700 -1.695 0.000 0.875 156 G N 1.012 109.428 108.800 -0.640 0.000 2.320 156 G HA2 0.015 3.975 3.960 -0.001 0.000 0.297 156 G HA3 0.015 3.975 3.960 -0.001 0.000 0.297 156 G C -0.434 174.367 174.900 -0.165 0.000 1.344 156 G CA -0.567 44.423 45.100 -0.183 0.000 0.851 156 G HN 0.366 nan 8.290 nan 0.000 0.567 157 N N -0.341 118.366 118.700 0.010 0.000 2.270 157 N HA 0.139 4.879 4.740 -0.001 0.000 0.198 157 N C 0.208 175.724 175.510 0.010 0.000 1.117 157 N CA 0.205 53.263 53.050 0.014 0.000 0.845 157 N CB 0.259 38.778 38.487 0.054 0.000 0.980 157 N HN 0.598 nan 8.380 nan 0.000 0.486 158 Y N 0.086 120.395 120.300 0.015 0.000 2.408 158 Y HA 0.488 5.037 4.550 -0.001 0.000 0.324 158 Y C 0.769 176.667 175.900 -0.004 0.000 1.302 158 Y CA -1.523 56.578 58.100 0.001 0.000 1.384 158 Y CB 0.079 38.535 38.460 -0.006 0.000 1.367 158 Y HN -0.246 nan 8.280 nan 0.000 0.525 159 Q N 1.036 120.919 119.800 0.138 0.000 2.271 159 Q HA 0.398 4.738 4.340 -0.001 0.000 0.273 159 Q C 0.743 176.733 176.000 -0.016 0.000 1.051 159 Q CA 1.150 56.965 55.803 0.020 0.000 0.901 159 Q CB 0.298 29.054 28.738 0.029 0.000 1.174 159 Q HN 1.192 nan 8.270 nan 0.000 0.385 160 G N 2.487 111.215 108.800 -0.121 0.000 2.176 160 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.232 160 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.232 160 G C 0.196 174.973 174.900 -0.205 0.000 0.986 160 G CA -0.097 44.909 45.100 -0.157 0.000 0.643 160 G HN 1.128 nan 8.290 nan 0.000 0.522 161 A N 0.063 122.577 122.820 -0.511 0.000 2.546 161 A HA 0.600 4.920 4.320 -0.001 0.000 0.243 161 A C 2.120 179.697 177.584 -0.011 0.000 1.063 161 A CA 2.108 53.779 52.037 -0.610 0.000 0.757 161 A CB -0.180 18.231 19.000 -0.981 0.000 0.991 161 A HN 2.405 nan 8.150 nan 0.000 0.503 162 G N 1.581 110.469 108.800 0.146 0.000 2.179 162 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.260 162 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.260 162 G C 0.604 175.549 174.900 0.075 0.000 0.977 162 G CA 0.916 46.198 45.100 0.304 0.000 0.641 162 G HN 2.200 nan 8.290 nan 0.000 0.533 163 S N 0.061 115.803 115.700 0.070 0.000 2.565 163 S HA 0.704 5.174 4.470 -0.001 0.000 0.276 163 S C 0.201 174.663 174.600 -0.231 0.000 1.326 163 S CA 0.673 58.788 58.200 -0.141 0.000 1.045 163 S CB 1.890 65.138 63.200 0.080 0.000 0.918 163 S HN 1.866 nan 8.310 nan 0.000 0.505 164 S N 1.614 116.853 115.700 -0.769 0.000 2.542 164 S HA 0.794 5.264 4.470 -0.001 0.000 0.293 164 S C -1.563 172.385 174.600 -1.087 0.000 1.089 164 S CA -0.980 56.808 58.200 -0.688 0.000 0.961 164 S CB 0.416 63.347 63.200 -0.448 0.000 1.062 164 S HN 0.864 nan 8.310 nan 0.000 0.483 165 W N 0.522 121.416 121.300 -0.676 0.000 3.138 165 W HA 0.661 5.321 4.660 -0.001 0.000 0.331 165 W C -1.782 174.345 176.519 -0.653 0.000 1.166 165 W CA -0.673 56.407 57.345 -0.441 0.000 1.212 165 W CB 1.489 30.625 29.460 -0.540 0.000 1.399 165 W HN 0.701 nan 8.180 nan 0.000 0.514 166 Y N 1.297 121.885 120.300 0.480 0.000 2.492 166 Y HA 0.274 4.824 4.550 -0.001 0.000 0.346 166 Y C 0.001 175.820 175.900 -0.136 0.000 0.997 166 Y CA -1.407 56.867 58.100 0.291 0.000 1.025 166 Y CB 1.605 40.298 38.460 0.388 0.000 1.263 166 Y HN 0.288 nan 8.280 nan 0.000 0.454 167 N N 1.714 120.304 118.700 -0.183 0.000 2.402 167 N HA -0.034 4.705 4.740 -0.001 0.000 0.252 167 N C 0.246 175.691 175.510 -0.110 0.000 1.118 167 N CA 0.173 52.897 53.050 -0.543 0.000 0.945 167 N CB 0.108 38.445 38.487 -0.250 0.000 1.147 167 N HN 0.743 nan 8.380 nan 0.000 0.495 168 Y N 3.536 123.711 120.300 -0.208 0.000 2.574 168 Y HA 0.022 4.572 4.550 -0.001 0.000 0.294 168 Y C 1.141 177.009 175.900 -0.053 0.000 1.142 168 Y CA 1.063 59.111 58.100 -0.086 0.000 1.314 168 Y CB 0.111 38.530 38.460 -0.068 0.000 0.991 168 Y HN 0.579 nan 8.280 nan 0.000 0.555 169 N N -0.116 118.593 118.700 0.015 0.000 2.461 169 N HA -0.045 4.694 4.740 -0.001 0.000 0.188 169 N C -0.221 175.278 175.510 -0.018 0.000 1.134 169 N CA 0.464 53.523 53.050 0.014 0.000 0.878 169 N CB 0.057 38.608 38.487 0.106 0.000 0.972 169 N HN 0.353 nan 8.380 nan 0.000 0.456 170 Q N 0.392 120.165 119.800 -0.044 0.000 2.303 170 Q HA 0.148 4.488 4.340 -0.001 0.000 0.257 170 Q C 1.109 177.043 176.000 -0.111 0.000 0.941 170 Q CA -0.124 55.660 55.803 -0.032 0.000 0.931 170 Q CB 1.646 30.393 28.738 0.016 0.000 1.215 170 Q HN 0.219 nan 8.270 nan 0.000 0.437 171 S N 2.684 118.322 115.700 -0.104 0.000 2.400 171 S HA -0.259 4.211 4.470 -0.001 0.000 0.232 171 S C 1.273 175.786 174.600 -0.144 0.000 1.025 171 S CA 1.740 59.854 58.200 -0.144 0.000 0.993 171 S CB -0.202 62.934 63.200 -0.107 0.000 0.808 171 S HN 0.769 nan 8.310 nan 0.000 0.478 172 N N 1.744 120.387 118.700 -0.096 0.000 2.244 172 N HA -0.063 4.677 4.740 -0.001 0.000 0.183 172 N C 1.595 176.992 175.510 -0.189 0.000 1.016 172 N CA 1.330 54.316 53.050 -0.107 0.000 0.866 172 N CB -0.439 38.040 38.487 -0.014 0.000 0.980 172 N HN 0.365 nan 8.380 nan 0.000 0.430 173 I N 0.702 121.181 120.570 -0.152 0.000 2.353 173 I HA -0.062 4.107 4.170 -0.001 0.000 0.248 173 I C 2.243 178.213 176.117 -0.244 0.000 1.119 173 I CA 0.933 62.135 61.300 -0.163 0.000 1.417 173 I CB -0.867 37.132 38.000 -0.003 0.000 1.078 173 I HN 0.283 nan 8.210 nan 0.000 0.421 174 R N 0.948 121.257 120.500 -0.319 0.000 2.148 174 R HA -0.041 4.299 4.340 -0.001 0.000 0.223 174 R C 0.184 176.319 176.300 -0.274 0.000 1.088 174 R CA 0.776 56.635 56.100 -0.402 0.000 0.985 174 R CB -0.048 29.902 30.300 -0.584 0.000 0.880 174 R HN 0.374 nan 8.270 nan 0.000 0.451 175 N N 0.374 118.927 118.700 -0.245 0.000 2.660 175 N HA 0.113 4.853 4.740 -0.001 0.000 0.316 175 N C -2.190 173.187 175.510 -0.221 0.000 1.774 175 N CA -1.081 51.851 53.050 -0.197 0.000 0.946 175 N CB 1.173 39.568 38.487 -0.152 0.000 1.322 175 N HN 0.100 nan 8.380 nan 0.000 0.492 176 P HA -0.027 nan 4.420 nan 0.000 0.230 176 P C 1.291 178.429 177.300 -0.270 0.000 1.158 176 P CA 0.768 63.617 63.100 -0.420 0.000 0.769 176 P CB 0.260 31.473 31.700 -0.812 0.000 0.807 177 G N 0.512 109.201 108.800 -0.186 0.000 2.551 177 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.216 177 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.216 177 G C 1.494 176.346 174.900 -0.081 0.000 1.137 177 G CA 0.796 45.827 45.100 -0.115 0.000 0.798 177 G HN 0.452 nan 8.290 nan 0.000 0.536 178 S N -0.806 114.843 115.700 -0.086 0.000 2.520 178 S HA 0.251 4.721 4.470 -0.001 0.000 0.219 178 S C 0.383 174.958 174.600 -0.041 0.000 1.028 178 S CA -0.355 57.813 58.200 -0.052 0.000 0.921 178 S CB 0.470 63.640 63.200 -0.051 0.000 0.844 178 S HN 0.316 nan 8.310 nan 0.000 0.495 179 E N 1.481 121.638 120.200 -0.070 0.000 2.102 179 E HA 0.298 4.648 4.350 -0.001 0.000 0.263 179 E C -0.367 176.209 176.600 -0.039 0.000 0.894 179 E CA -0.268 56.106 56.400 -0.042 0.000 0.746 179 E CB 1.369 31.030 29.700 -0.065 0.000 1.129 179 E HN 0.360 nan 8.360 nan 0.000 0.416 180 E N 1.373 121.606 120.200 0.056 0.000 2.265 180 E HA -0.218 4.132 4.350 -0.001 0.000 0.196 180 E C 1.106 177.710 176.600 0.007 0.000 0.996 180 E CA 0.863 57.314 56.400 0.085 0.000 0.832 180 E CB 0.044 29.900 29.700 0.259 0.000 0.756 180 E HN 0.526 nan 8.360 nan 0.000 0.491 181 Y N 0.896 121.048 120.300 -0.246 0.000 2.373 181 Y HA -0.034 4.516 4.550 -0.001 0.000 0.293 181 Y C 2.149 177.832 175.900 -0.362 0.000 1.129 181 Y CA 1.211 58.979 58.100 -0.553 0.000 1.226 181 Y CB -0.413 37.615 38.460 -0.720 0.000 1.000 181 Y HN -0.030 nan 8.280 nan 0.000 0.549 182 G N 0.013 108.624 108.800 -0.315 0.000 2.433 182 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.216 182 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.216 182 G C 1.739 176.193 174.900 -0.742 0.000 1.186 182 G CA 0.983 45.773 45.100 -0.516 0.000 0.779 182 G HN 0.320 nan 8.290 nan 0.000 0.543 183 R N 0.542 120.714 120.500 -0.547 0.000 2.081 183 R HA -0.068 4.271 4.340 -0.001 0.000 0.235 183 R C 2.542 178.690 176.300 -0.254 0.000 1.131 183 R CA 2.160 58.001 56.100 -0.431 0.000 0.960 183 R CB -0.845 29.321 30.300 -0.223 0.000 0.856 183 R HN 0.495 nan 8.270 nan 0.000 0.436 184 Q N -0.860 118.784 119.800 -0.260 0.000 2.135 184 Q HA -0.146 4.194 4.340 -0.001 0.000 0.204 184 Q C 1.459 177.363 176.000 -0.161 0.000 0.981 184 Q CA 2.360 58.035 55.803 -0.213 0.000 0.856 184 Q CB -0.169 28.403 28.738 -0.278 0.000 0.902 184 Q HN 0.404 nan 8.270 nan 0.000 0.425 185 T N 0.409 114.781 114.554 -0.303 0.000 2.821 185 T HA -0.079 4.271 4.350 -0.001 0.000 0.267 185 T C 1.159 176.087 174.700 0.380 0.000 1.046 185 T CA 0.921 62.963 62.100 -0.097 0.000 1.139 185 T CB -0.227 68.518 68.868 -0.206 0.000 0.871 185 T HN 0.239 nan 8.240 nan 0.000 0.454 186 F N 2.147 122.154 119.950 0.095 0.000 2.095 186 F HA -0.109 4.418 4.527 -0.001 0.000 0.298 186 F C 2.836 178.808 175.800 0.286 0.000 1.104 186 F CA 0.907 59.031 58.000 0.206 0.000 1.232 186 F CB -1.742 37.286 39.000 0.048 0.000 0.987 186 F HN 0.139 nan 8.300 nan 0.000 0.475 187 T N -1.720 113.062 114.554 0.381 0.000 2.788 187 T HA -0.238 4.112 4.350 -0.001 0.000 0.268 187 T C 1.777 176.795 174.700 0.530 0.000 1.044 187 T CA 1.756 64.076 62.100 0.368 0.000 1.139 187 T CB -0.562 68.333 68.868 0.045 0.000 0.867 187 T HN 0.404 nan 8.240 nan 0.000 0.454 188 H N 1.188 120.424 119.070 0.276 0.000 2.293 188 H HA -0.055 4.500 4.556 -0.001 0.000 0.300 188 H C 2.292 177.693 175.328 0.121 0.000 1.082 188 H CA 1.626 57.796 56.048 0.204 0.000 1.308 188 H CB 0.140 29.992 29.762 0.149 0.000 1.375 188 H HN 0.129 nan 8.280 nan 0.000 0.495 189 E N 0.461 120.936 120.200 0.459 0.000 2.106 189 E HA -0.115 4.235 4.350 -0.001 0.000 0.192 189 E C 2.540 179.253 176.600 0.190 0.000 0.984 189 E CA 0.890 57.505 56.400 0.360 0.000 0.806 189 E CB -0.143 29.791 29.700 0.389 0.000 0.750 189 E HN 0.621 nan 8.360 nan 0.000 0.458 190 I N 1.082 121.793 120.570 0.236 0.000 2.208 190 I HA -0.213 3.957 4.170 -0.001 0.000 0.245 190 I C 2.472 178.511 176.117 -0.130 0.000 1.097 190 I CA 1.290 62.640 61.300 0.082 0.000 1.363 190 I CB -0.607 37.519 38.000 0.209 0.000 1.051 190 I HN 0.123 nan 8.210 nan 0.000 0.413 191 G N 0.278 108.994 108.800 -0.141 0.000 2.513 191 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.219 191 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.219 191 G C 1.499 176.264 174.900 -0.225 0.000 1.160 191 G CA 1.002 45.845 45.100 -0.428 0.000 0.767 191 G HN 0.360 nan 8.290 nan 0.000 0.571 192 H N 0.807 119.848 119.070 -0.049 0.000 2.353 192 H HA 0.026 4.582 4.556 -0.001 0.000 0.300 192 H C 2.907 178.275 175.328 0.067 0.000 1.090 192 H CA 1.139 57.200 56.048 0.022 0.000 1.327 192 H CB -0.741 28.978 29.762 -0.072 0.000 1.383 192 H HN 0.390 nan 8.280 nan 0.000 0.508 193 A N 0.526 123.435 122.820 0.147 0.000 2.178 193 A HA -0.037 4.282 4.320 -0.001 0.000 0.218 193 A C 2.342 180.063 177.584 0.227 0.000 1.157 193 A CA 0.780 52.912 52.037 0.159 0.000 0.689 193 A CB -0.554 18.495 19.000 0.081 0.000 0.787 193 A HN 0.318 nan 8.150 nan 0.000 0.465 194 L N -2.437 118.846 121.223 0.099 0.000 2.616 194 L HA 0.304 4.644 4.340 -0.001 0.000 0.229 194 L C 1.529 178.454 176.870 0.091 0.000 1.110 194 L CA 0.631 55.572 54.840 0.168 0.000 0.884 194 L CB 0.407 42.446 42.059 -0.034 0.000 1.115 194 L HN 0.515 nan 8.230 nan 0.000 0.481 195 G N -0.039 108.768 108.800 0.011 0.000 2.227 195 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.168 195 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.168 195 G C 0.029 174.867 174.900 -0.105 0.000 1.006 195 G CA -0.641 44.396 45.100 -0.106 0.000 0.684 195 G HN 0.076 nan 8.290 nan 0.000 0.489 196 L N 1.081 122.303 121.223 -0.002 0.000 2.375 196 L HA 0.758 5.097 4.340 -0.001 0.000 0.271 196 L C 0.836 177.820 176.870 0.189 0.000 1.107 196 L CA -0.249 54.601 54.840 0.018 0.000 0.806 196 L CB 1.500 43.537 42.059 -0.036 0.000 1.146 196 L HN 0.291 nan 8.230 nan 0.000 0.447 197 A N 1.174 124.062 122.820 0.113 0.000 2.322 197 A HA 0.506 4.826 4.320 -0.001 0.000 0.327 197 A C -0.601 177.042 177.584 0.099 0.000 1.134 197 A CA -0.629 51.484 52.037 0.126 0.000 0.831 197 A CB 0.345 19.356 19.000 0.017 0.000 1.288 197 A HN 0.806 nan 8.150 nan 0.000 0.472 198 H N 0.704 119.815 119.070 0.069 0.000 3.038 198 H HA 0.038 4.594 4.556 -0.001 0.000 0.338 198 H C -1.555 173.694 175.328 -0.132 0.000 1.041 198 H CA -1.009 54.961 56.048 -0.130 0.000 1.394 198 H CB 0.287 29.735 29.762 -0.524 0.000 1.357 198 H HN 0.405 nan 8.280 nan 0.000 0.600 199 P HA -0.092 nan 4.420 nan 0.000 0.221 199 P C 0.421 177.798 177.300 0.129 0.000 1.145 199 P CA 1.281 64.516 63.100 0.226 0.000 0.795 199 P CB 0.473 32.350 31.700 0.294 0.000 0.775 200 G N -1.338 107.348 108.800 -0.189 0.000 2.680 200 G HA2 0.305 4.265 3.960 -0.001 0.000 0.290 200 G HA3 0.305 4.265 3.960 -0.001 0.000 0.290 200 G C -1.210 173.388 174.900 -0.504 0.000 1.355 200 G CA -0.423 44.566 45.100 -0.184 0.000 0.903 200 G HN -0.298 nan 8.290 nan 0.000 0.474 201 E N 0.810 120.924 120.200 -0.142 0.000 2.081 201 E HA 0.307 4.657 4.350 -0.001 0.000 0.270 201 E C -1.196 175.441 176.600 0.063 0.000 1.180 201 E CA 0.390 56.742 56.400 -0.080 0.000 0.926 201 E CB 0.132 29.840 29.700 0.013 0.000 1.035 201 E HN 0.481 nan 8.360 nan 0.000 0.418 202 Y N 0.139 120.517 120.300 0.131 0.000 2.583 202 Y HA 0.502 5.052 4.550 -0.001 0.000 0.330 202 Y C -1.167 174.836 175.900 0.172 0.000 1.185 202 Y CA -1.213 56.986 58.100 0.165 0.000 1.107 202 Y CB 1.067 39.672 38.460 0.242 0.000 1.344 202 Y HN 0.158 nan 8.280 nan 0.000 0.463 203 N N 0.881 119.887 118.700 0.509 0.000 2.598 203 N HA 0.665 5.404 4.740 -0.001 0.000 0.263 203 N C -1.351 174.442 175.510 0.472 0.000 1.254 203 N CA -0.109 53.260 53.050 0.532 0.000 0.863 203 N CB 2.827 41.483 38.487 0.282 0.000 1.586 203 N HN 1.215 nan 8.380 nan 0.000 0.491 204 A N 0.328 123.414 122.820 0.443 0.000 2.498 204 A HA 0.489 4.809 4.320 -0.001 0.000 0.239 204 A C 1.349 179.010 177.584 0.129 0.000 1.068 204 A CA 1.226 53.377 52.037 0.189 0.000 0.766 204 A CB -0.466 18.588 19.000 0.091 0.000 1.003 204 A HN 1.253 nan 8.150 nan 0.000 0.497 205 G N 1.100 109.951 108.800 0.085 0.000 2.268 205 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.240 205 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.240 205 G C 0.082 175.016 174.900 0.058 0.000 1.010 205 G CA 0.427 45.558 45.100 0.050 0.000 0.618 205 G HN 0.874 nan 8.290 nan 0.000 0.516 206 E N 1.536 121.794 120.200 0.096 0.000 1.924 206 E HA 0.463 4.813 4.350 -0.001 0.000 0.261 206 E C 1.255 177.921 176.600 0.109 0.000 1.088 206 E CA 0.013 56.471 56.400 0.096 0.000 0.909 206 E CB 0.468 30.238 29.700 0.116 0.000 1.112 206 E HN 1.229 nan 8.360 nan 0.000 0.425 207 G N 4.052 112.897 108.800 0.075 0.000 2.582 207 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.288 207 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.288 207 G C -0.299 174.649 174.900 0.080 0.000 1.247 207 G CA 0.312 45.453 45.100 0.068 0.000 0.972 207 G HN 0.718 nan 8.290 nan 0.000 0.557 208 D N 0.551 120.999 120.400 0.078 0.000 2.552 208 D HA 0.399 5.038 4.640 -0.001 0.000 0.285 208 D C -2.108 174.243 176.300 0.086 0.000 1.206 208 D CA -0.871 53.175 54.000 0.076 0.000 0.826 208 D CB 0.862 41.685 40.800 0.039 0.000 1.179 208 D HN 0.545 nan 8.370 nan 0.000 0.508 209 P HA 0.226 nan 4.420 nan 0.000 0.271 209 P C 0.004 177.328 177.300 0.039 0.000 1.233 209 P CA -0.048 63.156 63.100 0.172 0.000 0.789 209 P CB 1.198 33.125 31.700 0.378 0.000 0.951 210 S N -0.852 114.621 115.700 -0.378 0.000 2.752 210 S HA 0.171 4.640 4.470 -0.001 0.000 0.284 210 S C 0.532 174.130 174.600 -1.670 0.000 1.189 210 S CA -0.614 56.958 58.200 -1.047 0.000 0.835 210 S CB 0.346 63.254 63.200 -0.487 0.000 1.192 210 S HN 0.408 nan 8.310 nan 0.000 0.506 211 Y N 1.941 121.148 120.300 -1.822 0.000 2.403 211 Y HA -0.033 4.516 4.550 -0.001 0.000 0.291 211 Y C 1.888 177.353 175.900 -0.725 0.000 1.143 211 Y CA 2.073 59.278 58.100 -1.492 0.000 1.257 211 Y CB -0.638 37.312 38.460 -0.851 0.000 0.984 211 Y HN 0.660 nan 8.280 nan 0.000 0.550 212 N N 0.448 118.795 118.700 -0.588 0.000 2.205 212 N HA -0.172 4.567 4.740 -0.001 0.000 0.186 212 N C 0.782 176.065 175.510 -0.378 0.000 1.015 212 N CA 1.634 54.431 53.050 -0.422 0.000 0.862 212 N CB -0.348 37.986 38.487 -0.255 0.000 0.986 212 N HN 0.490 nan 8.380 nan 0.000 0.429 213 D N 0.770 120.966 120.400 -0.342 0.000 2.363 213 D HA 0.066 4.705 4.640 -0.001 0.000 0.226 213 D C 0.437 176.686 176.300 -0.086 0.000 1.020 213 D CA 0.045 53.958 54.000 -0.146 0.000 0.892 213 D CB -0.200 40.592 40.800 -0.014 0.000 0.900 213 D HN 0.145 nan 8.370 nan 0.000 0.531 214 A N 0.595 123.245 122.820 -0.284 0.000 2.520 214 A HA 0.124 4.444 4.320 -0.001 0.000 0.245 214 A C 1.660 179.140 177.584 -0.172 0.000 1.072 214 A CA -0.315 51.612 52.037 -0.183 0.000 0.761 214 A CB 0.626 19.329 19.000 -0.496 0.000 1.004 214 A HN 0.021 nan 8.150 nan 0.000 0.499 215 V N 2.318 122.205 119.914 -0.045 0.000 2.407 215 V HA -0.107 4.013 4.120 -0.001 0.000 0.248 215 V C 0.734 176.770 176.094 -0.096 0.000 1.055 215 V CA 2.345 64.635 62.300 -0.015 0.000 1.049 215 V CB -1.650 30.238 31.823 0.108 0.000 0.662 215 V HN 0.907 nan 8.190 nan 0.000 0.455 216 Y N -4.381 115.704 120.300 -0.358 0.000 2.615 216 Y HA 0.771 5.321 4.550 -0.001 0.000 0.341 216 Y C 0.830 176.576 175.900 -0.256 0.000 1.089 216 Y CA -0.666 57.149 58.100 -0.474 0.000 1.049 216 Y CB 1.150 38.915 38.460 -1.159 0.000 1.296 216 Y HN -0.193 nan 8.280 nan 0.000 0.470 217 A N 0.660 123.423 122.820 -0.094 0.000 1.940 217 A HA -0.129 4.190 4.320 -0.001 0.000 0.219 217 A C 1.190 178.732 177.584 -0.071 0.000 1.176 217 A CA 1.968 53.984 52.037 -0.035 0.000 0.631 217 A CB -0.734 18.288 19.000 0.036 0.000 0.814 217 A HN 0.834 nan 8.150 nan 0.000 0.446 218 E N 0.571 120.639 120.200 -0.220 0.000 2.365 218 E HA 0.064 4.414 4.350 -0.001 0.000 0.188 218 E C -0.322 176.088 176.600 -0.316 0.000 1.102 218 E CA 0.046 56.126 56.400 -0.533 0.000 0.927 218 E CB -0.120 29.036 29.700 -0.906 0.000 1.073 218 E HN 0.448 nan 8.360 nan 0.000 0.467 219 D N 1.272 121.421 120.400 -0.419 0.000 2.517 219 D HA 0.090 4.730 4.640 -0.001 0.000 0.220 219 D C -0.750 175.725 176.300 0.292 0.000 1.158 219 D CA -0.165 53.724 54.000 -0.184 0.000 0.992 219 D CB -0.263 40.339 40.800 -0.330 0.000 1.058 219 D HN 0.050 nan 8.370 nan 0.000 0.516 220 S N 1.882 117.761 115.700 0.297 0.000 2.611 220 S HA 0.208 4.677 4.470 -0.001 0.000 0.268 220 S C 0.604 175.406 174.600 0.337 0.000 1.156 220 S CA -0.831 57.515 58.200 0.244 0.000 0.817 220 S CB 0.134 63.412 63.200 0.130 0.000 1.122 220 S HN 0.288 nan 8.310 nan 0.000 0.466 221 Y N 0.636 121.052 120.300 0.192 0.000 2.483 221 Y HA -0.129 4.421 4.550 -0.001 0.000 0.291 221 Y C 2.728 178.749 175.900 0.202 0.000 1.143 221 Y CA 1.059 59.285 58.100 0.210 0.000 1.289 221 Y CB 0.072 38.648 38.460 0.193 0.000 0.983 221 Y HN 0.803 nan 8.280 nan 0.000 0.556 222 Q N -0.052 119.889 119.800 0.236 0.000 2.224 222 Q HA -0.176 4.163 4.340 -0.001 0.000 0.203 222 Q C 0.880 176.828 176.000 -0.086 0.000 0.970 222 Q CA 1.582 57.377 55.803 -0.014 0.000 0.865 222 Q CB -0.017 28.438 28.738 -0.472 0.000 0.922 222 Q HN 0.494 nan 8.270 nan 0.000 0.445 223 F N -1.355 118.755 119.950 0.268 0.000 2.711 223 F HA 0.312 4.838 4.527 -0.001 0.000 0.296 223 F C 0.452 176.433 175.800 0.303 0.000 1.096 223 F CA -0.258 57.931 58.000 0.314 0.000 1.280 223 F CB 1.258 40.427 39.000 0.281 0.000 1.060 223 F HN -0.171 nan 8.300 nan 0.000 0.608 224 S N 0.163 116.146 115.700 0.472 0.000 2.614 224 S HA 0.400 4.869 4.470 -0.001 0.000 0.275 224 S C 0.115 174.955 174.600 0.399 0.000 1.161 224 S CA -0.638 57.799 58.200 0.396 0.000 0.969 224 S CB 0.694 64.131 63.200 0.394 0.000 1.059 224 S HN 0.228 nan 8.310 nan 0.000 0.482 225 I N 3.366 124.121 120.570 0.309 0.000 3.564 225 I HA 0.273 4.443 4.170 -0.001 0.000 0.294 225 I C 1.124 177.494 176.117 0.422 0.000 1.289 225 I CA 0.429 61.918 61.300 0.315 0.000 1.325 225 I CB -0.103 37.983 38.000 0.143 0.000 1.039 225 I HN 0.478 nan 8.210 nan 0.000 0.474 226 L N 0.174 121.589 121.223 0.320 0.000 2.492 226 L HA 0.172 4.512 4.340 -0.001 0.000 0.223 226 L C 1.391 178.477 176.870 0.360 0.000 1.132 226 L CA 0.635 55.593 54.840 0.197 0.000 0.850 226 L CB -0.801 41.330 42.059 0.120 0.000 0.966 226 L HN 0.450 nan 8.230 nan 0.000 0.454 227 S N -1.432 114.495 115.700 0.379 0.000 2.600 227 S HA 0.050 4.519 4.470 -0.001 0.000 0.265 227 S C 0.994 175.656 174.600 0.103 0.000 1.325 227 S CA -0.165 58.149 58.200 0.188 0.000 1.002 227 S CB 0.717 64.022 63.200 0.174 0.000 0.921 227 S HN 0.275 nan 8.310 nan 0.000 0.554 228 Y N -0.056 119.787 120.300 -0.762 0.000 2.478 228 Y HA 0.178 4.727 4.550 -0.001 0.000 0.261 228 Y C -0.077 175.135 175.900 -1.148 0.000 1.127 228 Y CA -0.799 56.621 58.100 -1.134 0.000 1.288 228 Y CB 0.446 37.647 38.460 -2.097 0.000 1.084 228 Y HN 0.603 nan 8.280 nan 0.000 0.530 229 W N 0.988 122.150 121.300 -0.230 0.000 2.469 229 W HA 0.529 5.188 4.660 -0.001 0.000 0.320 229 W C 0.556 176.643 176.519 -0.719 0.000 1.086 229 W CA -1.237 55.886 57.345 -0.370 0.000 1.211 229 W CB 0.579 29.956 29.460 -0.139 0.000 1.298 229 W HN -0.115 nan 8.180 nan 0.000 0.525 230 G N 1.906 110.520 108.800 -0.311 0.000 2.554 230 G HA2 -0.045 3.914 3.960 -0.001 0.000 0.238 230 G HA3 -0.045 3.914 3.960 -0.001 0.000 0.238 230 G C 1.048 175.818 174.900 -0.217 0.000 1.259 230 G CA -0.339 44.586 45.100 -0.291 0.000 0.843 230 G HN 0.712 nan 8.290 nan 0.000 0.582 231 E N 1.221 121.318 120.200 -0.171 0.000 2.204 231 E HA -0.219 4.131 4.350 -0.001 0.000 0.195 231 E C 1.621 178.039 176.600 -0.303 0.000 0.990 231 E CA 1.319 57.542 56.400 -0.296 0.000 0.821 231 E CB -0.503 28.731 29.700 -0.777 0.000 0.750 231 E HN 0.726 nan 8.360 nan 0.000 0.477 232 N N 1.483 120.022 118.700 -0.268 0.000 2.348 232 N HA -0.183 4.557 4.740 -0.001 0.000 0.185 232 N C 1.192 176.560 175.510 -0.237 0.000 1.019 232 N CA 0.956 53.877 53.050 -0.215 0.000 0.880 232 N CB -0.245 38.140 38.487 -0.170 0.000 0.965 232 N HN 0.196 nan 8.380 nan 0.000 0.437 233 E N 0.653 120.649 120.200 -0.340 0.000 2.347 233 E HA -0.059 4.291 4.350 -0.001 0.000 0.196 233 E C 1.099 177.414 176.600 -0.475 0.000 1.008 233 E CA 1.200 57.253 56.400 -0.578 0.000 0.852 233 E CB -0.108 28.904 29.700 -1.147 0.000 0.783 233 E HN 0.681 nan 8.360 nan 0.000 0.505 234 T N -3.407 110.994 114.554 -0.254 0.000 3.134 234 T HA 0.431 4.781 4.350 -0.001 0.000 0.260 234 T C 1.307 176.035 174.700 0.047 0.000 1.027 234 T CA 0.325 62.396 62.100 -0.048 0.000 0.913 234 T CB 0.787 69.725 68.868 0.118 0.000 1.046 234 T HN 0.179 nan 8.240 nan 0.000 0.553 235 G N 1.030 109.809 108.800 -0.034 0.000 2.175 235 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.244 235 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.244 235 G C 0.378 175.295 174.900 0.028 0.000 0.982 235 G CA -0.178 44.934 45.100 0.020 0.000 0.641 235 G HN 1.092 nan 8.290 nan 0.000 0.527 236 A N -0.371 122.402 122.820 -0.078 0.000 2.272 236 A HA 0.657 4.977 4.320 -0.001 0.000 0.275 236 A C 0.058 177.525 177.584 -0.195 0.000 1.096 236 A CA 0.689 52.646 52.037 -0.133 0.000 0.822 236 A CB 0.812 19.617 19.000 -0.325 0.000 1.088 236 A HN 0.803 nan 8.150 nan 0.000 0.495 237 D N -1.347 118.969 120.400 -0.139 0.000 2.591 237 D HA 0.307 4.946 4.640 -0.001 0.000 0.222 237 D C -1.414 174.947 176.300 0.102 0.000 1.360 237 D CA -0.311 53.623 54.000 -0.110 0.000 0.967 237 D CB 0.366 41.150 40.800 -0.026 0.000 1.456 237 D HN 0.267 nan 8.370 nan 0.000 0.588 238 Y N 2.492 122.772 120.300 -0.034 0.000 2.532 238 Y HA 0.251 4.800 4.550 -0.001 0.000 0.283 238 Y C 1.288 177.197 175.900 0.015 0.000 1.181 238 Y CA -0.806 57.279 58.100 -0.024 0.000 1.256 238 Y CB -0.971 37.472 38.460 -0.029 0.000 1.112 238 Y HN 0.503 nan 8.280 nan 0.000 0.521 239 N N 1.170 119.934 118.700 0.107 0.000 2.714 239 N HA -0.210 4.529 4.740 -0.001 0.000 0.252 239 N C 1.183 176.675 175.510 -0.030 0.000 1.014 239 N CA 1.351 54.433 53.050 0.053 0.000 0.735 239 N CB -1.043 37.503 38.487 0.098 0.000 0.924 239 N HN 0.734 nan 8.380 nan 0.000 0.540 240 G N -1.885 106.848 108.800 -0.112 0.000 2.179 240 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.260 240 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.260 240 G C 0.076 174.733 174.900 -0.407 0.000 0.977 240 G CA 0.547 45.495 45.100 -0.253 0.000 0.641 240 G HN 0.721 nan 8.290 nan 0.000 0.533 241 H N -0.943 118.019 119.070 -0.180 0.000 2.495 241 H HA 0.591 5.147 4.556 -0.001 0.000 0.350 241 H C -0.560 174.574 175.328 -0.324 0.000 1.202 241 H CA 0.129 56.082 56.048 -0.158 0.000 1.322 241 H CB 0.895 30.630 29.762 -0.046 0.000 1.544 241 H HN 0.216 nan 8.280 nan 0.000 0.565 242 Y N -0.922 119.501 120.300 0.204 0.000 2.361 242 Y HA 0.296 4.845 4.550 -0.001 0.000 0.337 242 Y C 0.837 176.753 175.900 0.027 0.000 0.965 242 Y CA -0.882 57.283 58.100 0.109 0.000 1.091 242 Y CB 1.724 40.235 38.460 0.085 0.000 1.182 242 Y HN 0.716 nan 8.280 nan 0.000 0.450 243 G N 0.485 109.345 108.800 0.100 0.000 2.442 243 G HA2 0.385 4.345 3.960 -0.001 0.000 0.249 243 G HA3 0.385 4.345 3.960 -0.001 0.000 0.249 243 G C 0.718 175.585 174.900 -0.055 0.000 1.263 243 G CA -0.184 44.904 45.100 -0.019 0.000 0.846 243 G HN 0.931 nan 8.290 nan 0.000 0.555 244 G N -0.100 108.634 108.800 -0.110 0.000 3.434 244 G HA2 0.539 4.499 3.960 -0.001 0.000 0.258 244 G HA3 0.539 4.499 3.960 -0.001 0.000 0.258 244 G C 0.410 175.097 174.900 -0.355 0.000 1.128 244 G CA 0.766 45.764 45.100 -0.169 0.000 0.792 244 G HN 0.994 nan 8.290 nan 0.000 0.539 245 A N -0.016 122.504 122.820 -0.500 0.000 2.485 245 A HA 0.880 5.200 4.320 -0.001 0.000 0.292 245 A C -2.955 174.288 177.584 -0.568 0.000 1.147 245 A CA -1.603 49.950 52.037 -0.807 0.000 0.750 245 A CB 1.194 19.160 19.000 -1.724 0.000 1.331 245 A HN 0.012 nan 8.150 nan 0.000 0.419 246 P HA 0.163 nan 4.420 nan 0.000 0.265 246 P C -0.259 176.932 177.300 -0.182 0.000 1.193 246 P CA 0.386 63.179 63.100 -0.512 0.000 0.765 246 P CB 0.240 31.476 31.700 -0.773 0.000 0.823 247 M N 2.711 122.306 119.600 -0.008 0.000 2.531 247 M HA 0.263 4.742 4.480 -0.001 0.000 0.262 247 M C 1.809 178.208 176.300 0.164 0.000 1.168 247 M CA -0.771 54.590 55.300 0.101 0.000 0.926 247 M CB -0.013 32.692 32.600 0.174 0.000 1.445 247 M HN 0.320 nan 8.290 nan 0.000 0.531 248 I N 1.080 121.768 120.570 0.196 0.000 2.151 248 I HA -0.328 3.842 4.170 -0.001 0.000 0.243 248 I C 1.367 177.646 176.117 0.269 0.000 1.080 248 I CA 1.912 63.342 61.300 0.217 0.000 1.339 248 I CB 0.022 38.132 38.000 0.182 0.000 1.039 248 I HN 0.577 nan 8.210 nan 0.000 0.409 249 D N 0.588 121.192 120.400 0.340 0.000 2.234 249 D HA -0.140 4.499 4.640 -0.001 0.000 0.205 249 D C 1.762 178.227 176.300 0.276 0.000 0.962 249 D CA 0.828 55.016 54.000 0.314 0.000 0.855 249 D CB -0.365 40.660 40.800 0.375 0.000 0.951 249 D HN 0.415 nan 8.370 nan 0.000 0.500 250 D N 0.637 121.209 120.400 0.287 0.000 2.117 250 D HA -0.097 4.542 4.640 -0.001 0.000 0.197 250 D C 2.297 178.790 176.300 0.322 0.000 0.987 250 D CA 0.490 54.687 54.000 0.328 0.000 0.829 250 D CB -0.117 40.860 40.800 0.295 0.000 0.961 250 D HN 0.277 nan 8.370 nan 0.000 0.460 251 I N 1.291 121.992 120.570 0.219 0.000 2.179 251 I HA -0.257 3.912 4.170 -0.001 0.000 0.242 251 I C 2.543 178.740 176.117 0.133 0.000 1.088 251 I CA 1.108 62.502 61.300 0.156 0.000 1.357 251 I CB -0.231 37.845 38.000 0.127 0.000 1.051 251 I HN -0.079 nan 8.210 nan 0.000 0.409 252 A N 0.649 123.566 122.820 0.161 0.000 1.933 252 A HA -0.139 4.180 4.320 -0.001 0.000 0.218 252 A C 2.525 180.184 177.584 0.125 0.000 1.175 252 A CA 1.804 53.923 52.037 0.136 0.000 0.628 252 A CB -0.773 18.313 19.000 0.143 0.000 0.814 252 A HN 0.440 nan 8.150 nan 0.000 0.444 253 A N -0.301 122.614 122.820 0.158 0.000 1.877 253 A HA -0.073 4.247 4.320 -0.001 0.000 0.216 253 A C 2.093 179.760 177.584 0.138 0.000 1.186 253 A CA 1.696 53.818 52.037 0.142 0.000 0.620 253 A CB -0.588 18.511 19.000 0.165 0.000 0.822 253 A HN 0.580 nan 8.150 nan 0.000 0.443 254 I N 0.031 120.719 120.570 0.198 0.000 2.394 254 I HA -0.236 3.934 4.170 -0.001 0.000 0.251 254 I C 2.392 178.623 176.117 0.189 0.000 1.136 254 I CA 1.639 63.069 61.300 0.216 0.000 1.425 254 I CB -0.353 37.852 38.000 0.342 0.000 1.079 254 I HN 0.434 nan 8.210 nan 0.000 0.425 255 Q N -0.339 119.531 119.800 0.116 0.000 2.119 255 Q HA -0.205 4.134 4.340 -0.001 0.000 0.201 255 Q C 2.353 178.399 176.000 0.077 0.000 0.972 255 Q CA 1.281 57.121 55.803 0.062 0.000 0.847 255 Q CB -0.330 28.389 28.738 -0.032 0.000 0.903 255 Q HN 0.467 nan 8.270 nan 0.000 0.433 256 R N 0.844 121.394 120.500 0.083 0.000 2.091 256 R HA -0.161 4.179 4.340 -0.001 0.000 0.238 256 R C 1.998 178.376 176.300 0.130 0.000 1.136 256 R CA 1.187 57.346 56.100 0.098 0.000 0.959 256 R CB -0.111 30.241 30.300 0.087 0.000 0.856 256 R HN 0.247 nan 8.270 nan 0.000 0.437 257 L N -1.285 119.943 121.223 0.008 0.000 2.095 257 L HA -0.100 4.240 4.340 -0.001 0.000 0.204 257 L C 1.350 177.957 176.870 -0.440 0.000 1.080 257 L CA 1.179 55.836 54.840 -0.306 0.000 0.759 257 L CB -0.108 41.565 42.059 -0.643 0.000 0.914 257 L HN 0.244 nan 8.230 nan 0.000 0.439 258 Y N -0.848 119.469 120.300 0.029 0.000 2.500 258 Y HA 0.442 4.991 4.550 -0.001 0.000 0.246 258 Y C 1.071 176.982 175.900 0.018 0.000 1.146 258 Y CA 0.083 58.190 58.100 0.012 0.000 1.230 258 Y CB 0.783 39.240 38.460 -0.004 0.000 1.214 258 Y HN 0.142 nan 8.280 nan 0.000 0.526 259 G N 0.986 109.868 108.800 0.137 0.000 2.690 259 G HA2 0.136 4.095 3.960 -0.001 0.000 0.686 259 G HA3 0.136 4.095 3.960 -0.001 0.000 0.686 259 G C -0.591 174.347 174.900 0.062 0.000 1.277 259 G CA -0.830 44.328 45.100 0.097 0.000 0.799 259 G HN 0.501 nan 8.290 nan 0.000 0.613 260 A N 0.644 123.489 122.820 0.043 0.000 2.316 260 A HA 0.698 5.018 4.320 -0.001 0.000 0.284 260 A C 0.557 178.186 177.584 0.075 0.000 1.115 260 A CA -0.055 51.959 52.037 -0.039 0.000 0.812 260 A CB 0.867 19.890 19.000 0.039 0.000 1.064 260 A HN 1.279 nan 8.150 nan 0.000 0.489 261 N N 2.276 121.015 118.700 0.065 0.000 2.437 261 N HA 0.195 4.935 4.740 -0.001 0.000 0.243 261 N C 0.193 175.977 175.510 0.456 0.000 1.041 261 N CA -0.340 52.842 53.050 0.219 0.000 0.940 261 N CB 0.591 39.188 38.487 0.183 0.000 1.133 261 N HN 0.477 nan 8.380 nan 0.000 0.506 262 M N 1.722 121.512 119.600 0.315 0.000 2.505 262 M HA 0.040 4.519 4.480 -0.001 0.000 0.230 262 M C 1.227 177.633 176.300 0.177 0.000 1.153 262 M CA 0.318 55.782 55.300 0.273 0.000 0.997 262 M CB -1.218 31.496 32.600 0.190 0.000 1.606 262 M HN 0.511 nan 8.290 nan 0.000 0.481 263 T N -3.473 111.191 114.554 0.184 0.000 3.069 263 T HA 0.135 4.484 4.350 -0.001 0.000 0.252 263 T C 0.642 175.421 174.700 0.132 0.000 1.053 263 T CA -0.082 62.092 62.100 0.124 0.000 0.964 263 T CB -0.170 68.759 68.868 0.102 0.000 1.005 263 T HN 0.096 nan 8.240 nan 0.000 0.532 264 T N 3.546 118.220 114.554 0.199 0.000 2.743 264 T HA 0.418 4.768 4.350 -0.001 0.000 0.293 264 T C 0.123 174.876 174.700 0.088 0.000 0.945 264 T CA -0.560 61.659 62.100 0.198 0.000 1.030 264 T CB 0.470 69.576 68.868 0.396 0.000 0.912 264 T HN 0.370 nan 8.240 nan 0.000 0.483 265 R N 1.316 121.850 120.500 0.058 0.000 3.264 265 R HA -0.167 4.173 4.340 -0.001 0.000 0.251 265 R C 1.111 177.387 176.300 -0.040 0.000 0.971 265 R CA 0.786 56.883 56.100 -0.005 0.000 0.658 265 R CB -2.120 28.179 30.300 -0.002 0.000 1.095 265 R HN 0.887 nan 8.270 nan 0.000 0.443 266 T N -3.617 110.921 114.554 -0.027 0.000 3.129 266 T HA 0.163 4.512 4.350 -0.001 0.000 0.251 266 T C 1.190 175.862 174.700 -0.046 0.000 1.117 266 T CA 0.305 62.380 62.100 -0.041 0.000 1.034 266 T CB 0.657 69.514 68.868 -0.018 0.000 0.968 266 T HN 0.465 nan 8.240 nan 0.000 0.526 267 G N 0.459 109.229 108.800 -0.050 0.000 2.531 267 G HA2 0.462 4.422 3.960 -0.001 0.000 0.281 267 G HA3 0.462 4.422 3.960 -0.001 0.000 0.281 267 G C -1.150 173.708 174.900 -0.071 0.000 1.382 267 G CA -0.756 44.311 45.100 -0.055 0.000 1.045 267 G HN 0.206 nan 8.290 nan 0.000 0.533 268 D N 0.407 120.763 120.400 -0.074 0.000 2.336 268 D HA 0.440 5.080 4.640 -0.001 0.000 0.249 268 D C -0.100 176.128 176.300 -0.119 0.000 1.213 268 D CA 0.393 54.344 54.000 -0.081 0.000 0.870 268 D CB 0.961 41.720 40.800 -0.068 0.000 1.076 268 D HN 0.113 nan 8.370 nan 0.000 0.483 269 S N 0.944 116.557 115.700 -0.145 0.000 2.509 269 S HA 0.608 5.077 4.470 -0.001 0.000 0.297 269 S C -0.173 174.214 174.600 -0.356 0.000 1.118 269 S CA -0.864 57.157 58.200 -0.299 0.000 1.074 269 S CB 1.881 64.856 63.200 -0.374 0.000 1.038 269 S HN 0.127 nan 8.310 nan 0.000 0.498 270 V N 3.226 122.866 119.914 -0.456 0.000 2.448 270 V HA 0.435 4.554 4.120 -0.001 0.000 0.295 270 V C -1.447 174.342 176.094 -0.507 0.000 1.025 270 V CA -0.674 61.436 62.300 -0.316 0.000 0.859 270 V CB 0.837 32.562 31.823 -0.164 0.000 0.988 270 V HN 0.852 nan 8.190 nan 0.000 0.431 271 Y N 2.878 123.145 120.300 -0.056 0.000 2.352 271 Y HA 0.794 5.343 4.550 -0.001 0.000 0.339 271 Y C 0.939 176.858 175.900 0.031 0.000 0.992 271 Y CA 0.780 58.820 58.100 -0.100 0.000 1.100 271 Y CB 2.007 40.417 38.460 -0.084 0.000 1.192 271 Y HN 0.969 nan 8.280 nan 0.000 0.458 272 G N 1.789 110.706 108.800 0.194 0.000 2.715 272 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.221 272 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.221 272 G C -0.890 173.977 174.900 -0.055 0.000 1.204 272 G CA -0.976 44.269 45.100 0.242 0.000 1.063 272 G HN 0.371 nan 8.290 nan 0.000 0.586 273 F N 2.560 122.557 119.950 0.078 0.000 2.410 273 F HA 0.478 5.004 4.527 -0.001 0.000 0.334 273 F C 1.599 177.379 175.800 -0.034 0.000 1.134 273 F CA 0.724 58.715 58.000 -0.015 0.000 1.227 273 F CB 0.568 39.533 39.000 -0.058 0.000 1.194 273 F HN 0.519 nan 8.300 nan 0.000 0.571 274 N N 0.090 118.864 118.700 0.124 0.000 2.725 274 N HA -0.227 4.512 4.740 -0.001 0.000 0.249 274 N C -0.209 175.283 175.510 -0.030 0.000 1.103 274 N CA 0.711 53.783 53.050 0.036 0.000 0.707 274 N CB -1.245 37.266 38.487 0.039 0.000 1.043 274 N HN 0.463 nan 8.380 nan 0.000 0.553 275 S N 0.823 116.486 115.700 -0.061 0.000 2.576 275 S HA 0.234 4.704 4.470 -0.001 0.000 0.276 275 S C 1.212 175.724 174.600 -0.147 0.000 1.339 275 S CA -0.263 57.857 58.200 -0.134 0.000 1.039 275 S CB 0.530 63.639 63.200 -0.153 0.000 0.902 275 S HN 0.437 nan 8.310 nan 0.000 0.516 276 N N 1.656 120.233 118.700 -0.204 0.000 2.275 276 N HA 0.028 4.767 4.740 -0.001 0.000 0.236 276 N C 0.892 176.285 175.510 -0.195 0.000 1.154 276 N CA 0.282 53.230 53.050 -0.170 0.000 0.866 276 N CB -0.310 38.086 38.487 -0.151 0.000 1.093 276 N HN 0.590 nan 8.380 nan 0.000 0.515 277 T N -3.764 110.646 114.554 -0.240 0.000 3.043 277 T HA -0.051 4.299 4.350 -0.001 0.000 0.263 277 T C 0.526 175.154 174.700 -0.121 0.000 1.094 277 T CA 0.627 62.602 62.100 -0.208 0.000 1.127 277 T CB -0.411 68.329 68.868 -0.213 0.000 0.905 277 T HN 0.184 nan 8.240 nan 0.000 0.490 278 D N 0.937 121.266 120.400 -0.118 0.000 2.772 278 D HA -0.152 4.488 4.640 -0.001 0.000 0.233 278 D C -0.810 175.419 176.300 -0.119 0.000 1.143 278 D CA 0.464 54.408 54.000 -0.093 0.000 0.700 278 D CB -0.797 39.967 40.800 -0.059 0.000 1.076 278 D HN 0.403 nan 8.370 nan 0.000 0.430 279 R N 0.268 120.650 120.500 -0.196 0.000 2.476 279 R HA 0.222 4.561 4.340 -0.001 0.000 0.305 279 R C 1.060 177.102 176.300 -0.430 0.000 0.965 279 R CA -0.144 55.720 56.100 -0.393 0.000 0.867 279 R CB 1.476 31.351 30.300 -0.709 0.000 1.176 279 R HN 0.114 nan 8.270 nan 0.000 0.447 280 D N 2.810 123.033 120.400 -0.295 0.000 2.149 280 D HA -0.211 4.428 4.640 -0.001 0.000 0.198 280 D C 1.362 177.554 176.300 -0.179 0.000 0.990 280 D CA 1.474 55.375 54.000 -0.165 0.000 0.839 280 D CB -0.371 40.401 40.800 -0.046 0.000 0.948 280 D HN 0.586 nan 8.370 nan 0.000 0.460 281 F N -1.614 118.234 119.950 -0.170 0.000 2.748 281 F HA 0.206 4.732 4.527 -0.001 0.000 0.299 281 F C 1.476 177.166 175.800 -0.183 0.000 1.154 281 F CA -0.206 57.681 58.000 -0.188 0.000 1.446 281 F CB -0.952 37.887 39.000 -0.268 0.000 1.112 281 F HN -0.096 nan 8.300 nan 0.000 0.584 282 Y N 0.287 120.304 120.300 -0.471 0.000 2.458 282 Y HA 0.274 4.824 4.550 -0.001 0.000 0.256 282 Y C 0.251 176.007 175.900 -0.239 0.000 1.159 282 Y CA -0.525 57.301 58.100 -0.457 0.000 1.261 282 Y CB 0.491 38.661 38.460 -0.485 0.000 1.119 282 Y HN -0.116 nan 8.280 nan 0.000 0.524 283 T N 1.247 115.765 114.554 -0.061 0.000 2.792 283 T HA 0.671 5.021 4.350 -0.001 0.000 0.280 283 T C -0.540 174.071 174.700 -0.149 0.000 0.990 283 T CA -0.612 61.424 62.100 -0.105 0.000 0.960 283 T CB 1.419 70.213 68.868 -0.124 0.000 0.939 283 T HN 0.144 nan 8.240 nan 0.000 0.439 284 A N 2.067 124.703 122.820 -0.307 0.000 2.304 284 A HA 0.614 4.933 4.320 -0.001 0.000 0.314 284 A C 1.148 178.470 177.584 -0.437 0.000 1.187 284 A CA -0.720 51.026 52.037 -0.486 0.000 0.810 284 A CB 0.661 19.055 19.000 -1.011 0.000 1.183 284 A HN 0.866 nan 8.150 nan 0.000 0.487 285 T N -1.452 112.988 114.554 -0.191 0.000 3.044 285 T HA 0.320 4.670 4.350 -0.001 0.000 0.250 285 T C 0.129 174.871 174.700 0.070 0.000 1.081 285 T CA 0.862 62.935 62.100 -0.045 0.000 1.040 285 T CB -0.557 68.297 68.868 -0.024 0.000 0.962 285 T HN 0.812 nan 8.240 nan 0.000 0.506 286 D N -0.440 120.016 120.400 0.092 0.000 2.671 286 D HA 0.302 4.942 4.640 -0.001 0.000 0.273 286 D C 0.887 177.358 176.300 0.285 0.000 1.264 286 D CA -0.192 53.944 54.000 0.227 0.000 0.788 286 D CB 0.660 41.530 40.800 0.117 0.000 1.324 286 D HN -0.057 nan 8.370 nan 0.000 0.424 287 S N -0.585 115.278 115.700 0.273 0.000 2.465 287 S HA -0.185 4.284 4.470 -0.001 0.000 0.241 287 S C 1.499 176.297 174.600 0.330 0.000 1.000 287 S CA 1.299 59.685 58.200 0.309 0.000 0.964 287 S CB -0.878 62.438 63.200 0.194 0.000 0.763 287 S HN 0.652 nan 8.310 nan 0.000 0.512 288 S N 0.429 116.251 115.700 0.202 0.000 2.558 288 S HA 0.221 4.691 4.470 -0.001 0.000 0.217 288 S C 0.428 175.106 174.600 0.130 0.000 0.975 288 S CA -0.430 57.865 58.200 0.157 0.000 0.912 288 S CB -0.242 63.021 63.200 0.105 0.000 0.776 288 S HN 0.246 nan 8.310 nan 0.000 0.526 289 K N 2.727 123.202 120.400 0.126 0.000 2.368 289 K HA 0.527 4.847 4.320 -0.001 0.000 0.282 289 K C -0.072 176.549 176.600 0.036 0.000 1.035 289 K CA 0.076 56.383 56.287 0.034 0.000 0.973 289 K CB 0.620 33.095 32.500 -0.041 0.000 0.957 289 K HN 0.296 nan 8.250 nan 0.000 0.474 290 A N 4.376 127.092 122.820 -0.174 0.000 2.328 290 A HA 0.491 4.810 4.320 -0.001 0.000 0.284 290 A C -0.241 177.224 177.584 -0.199 0.000 1.160 290 A CA -0.654 51.205 52.037 -0.297 0.000 0.818 290 A CB 0.189 18.718 19.000 -0.785 0.000 1.087 290 A HN 0.655 nan 8.150 nan 0.000 0.504 291 L N 2.932 124.057 121.223 -0.163 0.000 2.307 291 L HA 0.573 4.913 4.340 -0.001 0.000 0.284 291 L C -0.741 175.972 176.870 -0.261 0.000 1.023 291 L CA -0.145 54.641 54.840 -0.090 0.000 0.810 291 L CB 1.412 43.473 42.059 0.003 0.000 1.231 291 L HN 0.592 nan 8.230 nan 0.000 0.423 292 I N 4.743 125.214 120.570 -0.166 0.000 2.497 292 I HA 0.429 4.598 4.170 -0.001 0.000 0.284 292 I C -1.011 175.083 176.117 -0.038 0.000 1.060 292 I CA -0.393 60.700 61.300 -0.345 0.000 1.071 292 I CB 1.244 38.976 38.000 -0.446 0.000 1.216 292 I HN 0.411 nan 8.210 nan 0.000 0.442 293 F N 3.132 123.028 119.950 -0.089 0.000 2.693 293 F HA 0.691 5.218 4.527 -0.001 0.000 0.309 293 F C -1.035 174.798 175.800 0.055 0.000 1.129 293 F CA -1.183 56.837 58.000 0.034 0.000 0.948 293 F CB 1.574 40.724 39.000 0.251 0.000 1.315 293 F HN 0.162 nan 8.300 nan 0.000 0.447 294 S N 1.892 117.839 115.700 0.412 0.000 2.530 294 S HA 0.613 5.082 4.470 -0.001 0.000 0.322 294 S C -1.288 173.647 174.600 0.559 0.000 1.085 294 S CA -0.617 57.786 58.200 0.339 0.000 1.096 294 S CB 1.071 64.366 63.200 0.158 0.000 0.988 294 S HN 1.118 nan 8.310 nan 0.000 0.466 295 V N 7.807 128.050 119.914 0.547 0.000 2.583 295 V HA 0.513 4.632 4.120 -0.001 0.000 0.287 295 V C -0.550 175.724 176.094 0.301 0.000 1.051 295 V CA -0.584 61.906 62.300 0.316 0.000 1.010 295 V CB 0.903 32.593 31.823 -0.223 0.000 0.988 295 V HN 0.922 nan 8.190 nan 0.000 0.478 296 W N 7.523 128.914 121.300 0.151 0.000 2.529 296 W HA 0.572 5.231 4.660 -0.001 0.000 0.321 296 W C -1.415 175.154 176.519 0.083 0.000 1.047 296 W CA -0.666 56.752 57.345 0.123 0.000 1.216 296 W CB 1.701 31.274 29.460 0.189 0.000 1.357 296 W HN 0.695 nan 8.180 nan 0.000 0.489 297 D N 3.753 123.633 120.400 -0.868 0.000 2.966 297 D HA 0.350 4.990 4.640 -0.001 0.000 0.222 297 D C -0.511 175.303 176.300 -0.810 0.000 1.292 297 D CA -0.214 53.439 54.000 -0.578 0.000 0.907 297 D CB 2.306 42.956 40.800 -0.250 0.000 1.621 297 D HN 0.437 nan 8.370 nan 0.000 0.557 298 A N 2.016 124.510 122.820 -0.543 0.000 2.387 298 A HA 0.644 4.963 4.320 -0.001 0.000 0.234 298 A C 0.778 178.241 177.584 -0.201 0.000 1.253 298 A CA 0.667 52.470 52.037 -0.390 0.000 0.894 298 A CB 0.198 19.133 19.000 -0.107 0.000 0.963 298 A HN 0.649 nan 8.150 nan 0.000 0.508 299 G N -3.002 105.691 108.800 -0.177 0.000 2.338 299 G HA2 0.605 4.565 3.960 -0.001 0.000 0.295 299 G HA3 0.605 4.565 3.960 -0.001 0.000 0.295 299 G C -0.034 174.809 174.900 -0.094 0.000 1.461 299 G CA 0.228 45.260 45.100 -0.113 0.000 0.817 299 G HN 1.911 nan 8.290 nan 0.000 0.556 300 G N -1.430 107.325 108.800 -0.075 0.000 2.685 300 G HA2 0.354 4.314 3.960 -0.001 0.000 0.387 300 G HA3 0.354 4.314 3.960 -0.001 0.000 0.387 300 G C -0.278 174.582 174.900 -0.067 0.000 1.324 300 G CA 0.140 45.201 45.100 -0.064 0.000 0.878 300 G HN 1.566 nan 8.290 nan 0.000 0.527 301 T N 2.382 116.900 114.554 -0.059 0.000 2.770 301 T HA 0.586 4.936 4.350 -0.001 0.000 0.297 301 T C -0.657 174.008 174.700 -0.057 0.000 0.997 301 T CA -0.365 61.702 62.100 -0.056 0.000 0.949 301 T CB 0.920 69.761 68.868 -0.045 0.000 0.941 301 T HN 0.541 nan 8.240 nan 0.000 0.457 302 D N 2.228 122.593 120.400 -0.059 0.000 2.340 302 D HA 0.543 5.182 4.640 -0.001 0.000 0.240 302 D C -0.442 175.835 176.300 -0.037 0.000 1.001 302 D CA -0.458 53.522 54.000 -0.034 0.000 0.888 302 D CB 2.187 42.994 40.800 0.011 0.000 1.310 302 D HN 0.292 nan 8.370 nan 0.000 0.474 303 T N 0.761 115.326 114.554 0.019 0.000 2.881 303 T HA 0.331 4.681 4.350 -0.001 0.000 0.290 303 T C -0.364 174.448 174.700 0.188 0.000 1.000 303 T CA -0.529 61.588 62.100 0.028 0.000 0.978 303 T CB 0.884 69.749 68.868 -0.004 0.000 0.997 303 T HN 0.168 nan 8.240 nan 0.000 0.443 304 F N 2.842 122.715 119.950 -0.129 0.000 2.368 304 F HA 0.198 4.725 4.527 -0.001 0.000 0.362 304 F C 0.645 176.082 175.800 -0.605 0.000 1.137 304 F CA -0.840 56.891 58.000 -0.448 0.000 1.161 304 F CB 0.613 39.316 39.000 -0.495 0.000 1.265 304 F HN 0.445 nan 8.300 nan 0.000 0.530 305 D N 5.333 125.569 120.400 -0.274 0.000 2.456 305 D HA 0.128 4.768 4.640 -0.001 0.000 0.219 305 D C -0.380 175.995 176.300 0.125 0.000 1.126 305 D CA -0.270 53.685 54.000 -0.074 0.000 0.890 305 D CB 0.304 41.139 40.800 0.059 0.000 1.025 305 D HN 0.209 nan 8.370 nan 0.000 0.511 306 F N 1.455 121.582 119.950 0.295 0.000 2.850 306 F HA 0.102 4.628 4.527 -0.001 0.000 0.306 306 F C 2.115 177.995 175.800 0.133 0.000 1.162 306 F CA -0.605 57.611 58.000 0.360 0.000 1.327 306 F CB -0.300 38.918 39.000 0.362 0.000 0.953 306 F HN 0.254 nan 8.300 nan 0.000 0.507 307 S N -1.348 114.393 115.700 0.067 0.000 2.489 307 S HA 0.001 4.470 4.470 -0.001 0.000 0.228 307 S C 2.096 176.408 174.600 -0.480 0.000 0.995 307 S CA 0.815 58.924 58.200 -0.153 0.000 0.934 307 S CB -0.386 62.723 63.200 -0.152 0.000 0.771 307 S HN 0.365 nan 8.310 nan 0.000 0.522 308 G N -0.435 107.577 108.800 -1.313 0.000 2.985 308 G HA2 0.241 4.200 3.960 -0.001 0.000 0.209 308 G HA3 0.241 4.200 3.960 -0.001 0.000 0.209 308 G C -0.046 174.457 174.900 -0.661 0.000 1.165 308 G CA -0.354 43.878 45.100 -1.447 0.000 0.776 308 G HN 0.548 nan 8.290 nan 0.000 0.541 309 Y N 0.258 120.452 120.300 -0.176 0.000 2.376 309 Y HA 0.313 4.863 4.550 -0.001 0.000 0.325 309 Y C 1.546 177.436 175.900 -0.016 0.000 1.199 309 Y CA -0.584 57.521 58.100 0.009 0.000 1.206 309 Y CB 2.081 40.603 38.460 0.103 0.000 1.229 309 Y HN 0.096 nan 8.280 nan 0.000 0.480 310 S N -0.617 115.191 115.700 0.179 0.000 2.524 310 S HA 0.102 4.571 4.470 -0.001 0.000 0.215 310 S C 0.036 174.672 174.600 0.060 0.000 0.986 310 S CA -0.502 57.748 58.200 0.084 0.000 0.911 310 S CB -0.235 62.997 63.200 0.054 0.000 0.805 310 S HN 0.609 nan 8.310 nan 0.000 0.501 311 N N 3.223 121.957 118.700 0.058 0.000 2.453 311 N HA 0.122 4.861 4.740 -0.001 0.000 0.253 311 N C -0.898 174.608 175.510 -0.006 0.000 1.252 311 N CA -0.105 52.943 53.050 -0.005 0.000 0.917 311 N CB 0.169 38.613 38.487 -0.072 0.000 1.117 311 N HN 0.244 nan 8.380 nan 0.000 0.442 312 N N 1.934 120.616 118.700 -0.031 0.000 2.452 312 N HA 0.051 4.790 4.740 -0.001 0.000 0.266 312 N C -0.147 175.323 175.510 -0.068 0.000 1.175 312 N CA 0.287 53.311 53.050 -0.043 0.000 0.945 312 N CB 0.768 39.220 38.487 -0.059 0.000 1.063 312 N HN 0.432 nan 8.380 nan 0.000 0.472 313 Q N 1.641 121.409 119.800 -0.053 0.000 2.351 313 Q HA 0.557 4.896 4.340 -0.001 0.000 0.273 313 Q C -0.390 175.528 176.000 -0.137 0.000 1.077 313 Q CA -0.806 54.957 55.803 -0.068 0.000 0.843 313 Q CB 2.535 31.293 28.738 0.034 0.000 1.367 313 Q HN 0.290 nan 8.270 nan 0.000 0.449 314 R N 1.423 121.794 120.500 -0.214 0.000 2.451 314 R HA 0.544 4.883 4.340 -0.001 0.000 0.307 314 R C -0.980 175.293 176.300 -0.045 0.000 0.965 314 R CA -0.404 55.387 56.100 -0.515 0.000 0.865 314 R CB 1.180 30.712 30.300 -1.280 0.000 1.174 314 R HN 0.532 nan 8.270 nan 0.000 0.455 315 I N 2.369 123.075 120.570 0.226 0.000 2.389 315 I HA 0.264 4.433 4.170 -0.001 0.000 0.288 315 I C -0.437 176.087 176.117 0.679 0.000 0.999 315 I CA -0.839 60.787 61.300 0.543 0.000 1.129 315 I CB 1.768 40.071 38.000 0.504 0.000 1.288 315 I HN 0.386 nan 8.210 nan 0.000 0.444 316 N N 6.565 125.641 118.700 0.625 0.000 2.372 316 N HA 0.428 5.167 4.740 -0.001 0.000 0.285 316 N C -0.032 175.625 175.510 0.246 0.000 1.008 316 N CA -0.472 52.779 53.050 0.334 0.000 0.880 316 N CB 2.106 40.577 38.487 -0.027 0.000 1.239 316 N HN 0.599 nan 8.380 nan 0.000 0.484 317 L N 1.455 122.763 121.223 0.142 0.000 2.607 317 L HA 0.230 4.570 4.340 -0.001 0.000 0.228 317 L C 0.433 177.295 176.870 -0.013 0.000 1.123 317 L CA -0.076 54.766 54.840 0.003 0.000 0.890 317 L CB -0.170 41.870 42.059 -0.032 0.000 1.103 317 L HN 0.403 nan 8.230 nan 0.000 0.468 318 N N 2.384 121.101 118.700 0.028 0.000 2.492 318 N HA 0.002 4.742 4.740 -0.001 0.000 0.262 318 N C 0.036 175.558 175.510 0.020 0.000 1.202 318 N CA 0.140 53.204 53.050 0.022 0.000 0.926 318 N CB 0.805 39.311 38.487 0.031 0.000 1.078 318 N HN 0.322 nan 8.380 nan 0.000 0.454 319 E N 0.242 120.453 120.200 0.019 0.000 2.442 319 E HA 0.190 4.539 4.350 -0.001 0.000 0.262 319 E C 0.888 177.543 176.600 0.092 0.000 1.004 319 E CA -0.062 56.362 56.400 0.039 0.000 0.928 319 E CB 0.260 29.973 29.700 0.021 0.000 0.937 319 E HN 0.723 nan 8.360 nan 0.000 0.446 320 G N 2.375 111.237 108.800 0.103 0.000 2.205 320 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.261 320 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.261 320 G C 0.300 175.244 174.900 0.072 0.000 0.980 320 G CA 0.447 45.623 45.100 0.127 0.000 0.632 320 G HN 1.112 nan 8.290 nan 0.000 0.533 321 S N -0.475 115.242 115.700 0.028 0.000 2.672 321 S HA 0.823 5.293 4.470 -0.001 0.000 0.276 321 S C -0.279 174.285 174.600 -0.060 0.000 1.207 321 S CA -0.740 57.492 58.200 0.054 0.000 1.002 321 S CB 1.734 64.953 63.200 0.033 0.000 0.998 321 S HN 0.417 nan 8.310 nan 0.000 0.542 322 F N 0.640 120.641 119.950 0.086 0.000 2.470 322 F HA 0.646 5.173 4.527 -0.001 0.000 0.329 322 F C 0.774 176.770 175.800 0.327 0.000 1.072 322 F CA -0.319 57.752 58.000 0.117 0.000 0.989 322 F CB 2.362 41.332 39.000 -0.050 0.000 1.193 322 F HN 0.649 nan 8.300 nan 0.000 0.481 323 S N 0.273 116.258 115.700 0.475 0.000 2.634 323 S HA 0.453 4.923 4.470 -0.001 0.000 0.296 323 S C -1.725 173.104 174.600 0.382 0.000 1.104 323 S CA -0.956 57.570 58.200 0.543 0.000 0.920 323 S CB 1.676 65.107 63.200 0.386 0.000 1.111 323 S HN 0.368 nan 8.310 nan 0.000 0.493 324 D N 1.960 122.516 120.400 0.260 0.000 2.427 324 D HA 0.474 5.113 4.640 -0.001 0.000 0.226 324 D C -0.947 175.299 176.300 -0.090 0.000 1.076 324 D CA -0.055 53.993 54.000 0.080 0.000 0.849 324 D CB 1.373 42.186 40.800 0.022 0.000 1.052 324 D HN 0.096 nan 8.370 nan 0.000 0.515 325 V N 0.510 120.289 119.914 -0.225 0.000 2.680 325 V HA 0.594 4.713 4.120 -0.001 0.000 0.309 325 V C 1.162 176.934 176.094 -0.537 0.000 1.052 325 V CA -0.660 61.389 62.300 -0.417 0.000 0.908 325 V CB 1.826 33.185 31.823 -0.773 0.000 1.001 325 V HN 0.799 nan 8.190 nan 0.000 0.431 326 G N 2.893 111.247 108.800 -0.743 0.000 2.258 326 G HA2 0.029 3.988 3.960 -0.001 0.000 0.274 326 G HA3 0.029 3.988 3.960 -0.001 0.000 0.274 326 G C 1.205 175.717 174.900 -0.646 0.000 1.021 326 G CA 1.002 45.256 45.100 -1.410 0.000 0.798 326 G HN 2.376 nan 8.290 nan 0.000 0.507 327 G N -2.812 105.778 108.800 -0.350 0.000 2.199 327 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.254 327 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.254 327 G C 0.388 175.209 174.900 -0.131 0.000 0.982 327 G CA 0.768 45.753 45.100 -0.192 0.000 0.632 327 G HN 1.233 nan 8.290 nan 0.000 0.529 328 L N 0.148 121.279 121.223 -0.155 0.000 2.448 328 L HA 0.723 5.063 4.340 -0.001 0.000 0.258 328 L C 0.695 177.574 176.870 0.015 0.000 1.104 328 L CA -0.259 54.555 54.840 -0.042 0.000 0.800 328 L CB 0.835 42.857 42.059 -0.061 0.000 1.241 328 L HN 0.135 nan 8.230 nan 0.000 0.472 329 K N -0.167 120.306 120.400 0.121 0.000 2.345 329 K HA 0.547 4.867 4.320 -0.001 0.000 0.255 329 K C 0.253 177.016 176.600 0.271 0.000 0.934 329 K CA -0.235 56.166 56.287 0.189 0.000 0.801 329 K CB 1.602 34.208 32.500 0.178 0.000 1.137 329 K HN 0.731 nan 8.250 nan 0.000 0.424 330 G N 2.468 111.466 108.800 0.331 0.000 2.225 330 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.267 330 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.267 330 G C 0.411 175.509 174.900 0.330 0.000 1.024 330 G CA 0.742 45.994 45.100 0.254 0.000 0.784 330 G HN 0.836 nan 8.290 nan 0.000 0.507 331 N N -1.034 117.752 118.700 0.145 0.000 2.422 331 N HA 0.120 4.860 4.740 -0.001 0.000 0.181 331 N C 0.431 175.711 175.510 -0.384 0.000 1.080 331 N CA 0.724 53.625 53.050 -0.248 0.000 0.893 331 N CB 0.547 38.757 38.487 -0.463 0.000 0.973 331 N HN 0.389 nan 8.380 nan 0.000 0.456 332 V N 1.118 120.845 119.914 -0.312 0.000 2.604 332 V HA 0.565 4.685 4.120 -0.001 0.000 0.305 332 V C -0.265 175.634 176.094 -0.325 0.000 1.043 332 V CA -0.681 61.279 62.300 -0.566 0.000 0.888 332 V CB 1.730 33.075 31.823 -0.797 0.000 0.995 332 V HN 0.474 nan 8.190 nan 0.000 0.429 333 S N 4.669 120.146 115.700 -0.370 0.000 2.651 333 S HA 0.808 5.278 4.470 -0.001 0.000 0.279 333 S C -1.147 173.421 174.600 -0.054 0.000 1.148 333 S CA -0.837 57.080 58.200 -0.472 0.000 0.837 333 S CB 2.027 64.491 63.200 -1.226 0.000 1.138 333 S HN 0.445 nan 8.310 nan 0.000 0.478 334 I N 1.490 122.041 120.570 -0.030 0.000 2.436 334 I HA 0.598 4.767 4.170 -0.001 0.000 0.289 334 I C 0.538 176.706 176.117 0.085 0.000 1.010 334 I CA -0.953 60.405 61.300 0.098 0.000 1.098 334 I CB 1.738 39.776 38.000 0.064 0.000 1.266 334 I HN 0.968 nan 8.210 nan 0.000 0.434 335 A N 4.454 127.381 122.820 0.179 0.000 2.425 335 A HA 0.123 4.443 4.320 -0.001 0.000 0.242 335 A C -0.140 177.607 177.584 0.271 0.000 1.077 335 A CA 0.052 52.249 52.037 0.266 0.000 0.781 335 A CB -0.070 19.194 19.000 0.440 0.000 1.020 335 A HN 0.782 nan 8.150 nan 0.000 0.494 336 H N -0.186 119.010 119.070 0.210 0.000 2.928 336 H HA 0.354 4.910 4.556 -0.001 0.000 0.338 336 H C 1.365 176.854 175.328 0.269 0.000 1.047 336 H CA 1.523 57.684 56.048 0.190 0.000 1.435 336 H CB 0.385 30.245 29.762 0.164 0.000 1.428 336 H HN 1.464 nan 8.280 nan 0.000 0.590 337 G N 2.877 111.433 108.800 -0.407 0.000 2.157 337 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.239 337 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.239 337 G C -0.585 174.236 174.900 -0.130 0.000 0.982 337 G CA 0.152 45.130 45.100 -0.202 0.000 0.650 337 G HN 0.663 nan 8.290 nan 0.000 0.527 338 V N 0.825 120.658 119.914 -0.135 0.000 2.555 338 V HA 0.752 4.871 4.120 -0.001 0.000 0.302 338 V C 0.133 176.125 176.094 -0.171 0.000 1.038 338 V CA -0.282 61.887 62.300 -0.219 0.000 0.887 338 V CB 2.010 33.721 31.823 -0.187 0.000 0.991 338 V HN 0.244 nan 8.190 nan 0.000 0.434 339 T N 6.034 120.475 114.554 -0.189 0.000 2.791 339 T HA 0.579 4.929 4.350 -0.001 0.000 0.288 339 T C -0.504 174.085 174.700 -0.185 0.000 0.999 339 T CA -0.257 61.750 62.100 -0.155 0.000 0.952 339 T CB 0.687 69.483 68.868 -0.120 0.000 0.938 339 T HN 0.276 nan 8.240 nan 0.000 0.444 340 I N 3.399 123.833 120.570 -0.226 0.000 2.377 340 I HA 0.394 4.564 4.170 -0.001 0.000 0.293 340 I C 0.832 176.814 176.117 -0.225 0.000 0.987 340 I CA -0.618 60.499 61.300 -0.304 0.000 1.185 340 I CB 1.866 39.502 38.000 -0.606 0.000 1.341 340 I HN 0.652 nan 8.210 nan 0.000 0.455 341 E N 3.190 123.291 120.200 -0.164 0.000 2.244 341 E HA 0.113 4.463 4.350 -0.001 0.000 0.196 341 E C -0.234 176.326 176.600 -0.066 0.000 0.939 341 E CA 0.657 57.001 56.400 -0.094 0.000 0.884 341 E CB 0.385 30.045 29.700 -0.067 0.000 0.850 341 E HN 0.527 nan 8.360 nan 0.000 0.481 342 N N -0.291 118.365 118.700 -0.073 0.000 2.328 342 N HA 0.690 5.430 4.740 -0.001 0.000 0.299 342 N C -1.214 174.290 175.510 -0.010 0.000 1.179 342 N CA -0.581 52.458 53.050 -0.018 0.000 0.793 342 N CB 2.073 40.558 38.487 -0.002 0.000 1.366 342 N HN 0.034 nan 8.380 nan 0.000 0.493 343 A N 0.580 123.430 122.820 0.050 0.000 2.520 343 A HA 0.756 5.075 4.320 -0.001 0.000 0.298 343 A C -1.305 176.333 177.584 0.090 0.000 1.051 343 A CA -0.571 51.518 52.037 0.086 0.000 0.690 343 A CB 1.028 20.125 19.000 0.162 0.000 1.281 343 A HN 0.564 nan 8.150 nan 0.000 0.402 344 I N 2.070 122.681 120.570 0.068 0.000 2.447 344 I HA 0.513 4.683 4.170 -0.001 0.000 0.287 344 I C 0.863 177.064 176.117 0.141 0.000 1.023 344 I CA -0.613 60.736 61.300 0.083 0.000 1.083 344 I CB 2.113 40.135 38.000 0.036 0.000 1.245 344 I HN 0.805 nan 8.210 nan 0.000 0.434 345 G N 3.478 112.370 108.800 0.153 0.000 2.525 345 G HA2 0.655 4.615 3.960 -0.001 0.000 0.287 345 G HA3 0.655 4.615 3.960 -0.001 0.000 0.287 345 G C 0.113 175.095 174.900 0.137 0.000 1.350 345 G CA -0.132 45.080 45.100 0.187 0.000 1.039 345 G HN 0.711 nan 8.290 nan 0.000 0.513 346 G N -1.704 107.175 108.800 0.133 0.000 3.008 346 G HA2 0.405 4.365 3.960 -0.001 0.000 0.181 346 G HA3 0.405 4.365 3.960 -0.001 0.000 0.181 346 G C 1.241 176.167 174.900 0.043 0.000 1.309 346 G CA 0.830 45.972 45.100 0.071 0.000 1.009 346 G HN 1.117 nan 8.290 nan 0.000 0.584 347 S N -1.050 114.665 115.700 0.025 0.000 2.562 347 S HA 0.256 4.725 4.470 -0.001 0.000 0.221 347 S C 1.273 175.884 174.600 0.019 0.000 0.975 347 S CA 0.470 58.679 58.200 0.014 0.000 0.918 347 S CB -0.267 62.933 63.200 0.000 0.000 0.772 347 S HN 0.846 nan 8.310 nan 0.000 0.531 348 G N 1.488 110.307 108.800 0.031 0.000 2.621 348 G HA2 0.339 4.299 3.960 -0.001 0.000 0.271 348 G HA3 0.339 4.299 3.960 -0.001 0.000 0.271 348 G C -0.449 174.455 174.900 0.007 0.000 1.236 348 G CA -0.894 44.216 45.100 0.017 0.000 0.958 348 G HN 0.380 nan 8.290 nan 0.000 0.512 349 N N 1.769 120.463 118.700 -0.010 0.000 2.439 349 N HA 0.176 4.915 4.740 -0.001 0.000 0.243 349 N C -0.861 174.627 175.510 -0.035 0.000 1.088 349 N CA 0.051 53.088 53.050 -0.022 0.000 0.940 349 N CB 1.096 39.566 38.487 -0.029 0.000 1.180 349 N HN 0.366 nan 8.380 nan 0.000 0.505 350 D N 1.383 121.768 120.400 -0.024 0.000 2.326 350 D HA 0.484 5.123 4.640 -0.001 0.000 0.248 350 D C 0.450 176.719 176.300 -0.052 0.000 1.001 350 D CA -0.307 53.675 54.000 -0.030 0.000 0.961 350 D CB 2.031 42.850 40.800 0.031 0.000 1.183 350 D HN 0.253 nan 8.370 nan 0.000 0.502 351 I N 1.136 121.648 120.570 -0.096 0.000 2.406 351 I HA 0.225 4.394 4.170 -0.001 0.000 0.290 351 I C -1.020 175.114 176.117 0.028 0.000 0.999 351 I CA -0.769 60.486 61.300 -0.076 0.000 1.124 351 I CB 1.472 39.343 38.000 -0.216 0.000 1.289 351 I HN -0.048 nan 8.210 nan 0.000 0.441 352 L N 7.544 128.844 121.223 0.129 0.000 2.325 352 L HA 0.500 4.840 4.340 -0.001 0.000 0.281 352 L C -0.448 176.589 176.870 0.279 0.000 1.004 352 L CA -0.497 54.476 54.840 0.221 0.000 0.823 352 L CB 1.794 43.969 42.059 0.193 0.000 1.236 352 L HN 0.224 nan 8.230 nan 0.000 0.415 353 V N 3.000 123.128 119.914 0.357 0.000 2.384 353 V HA 0.715 4.835 4.120 -0.001 0.000 0.287 353 V C 0.757 177.019 176.094 0.280 0.000 1.020 353 V CA -0.589 61.934 62.300 0.371 0.000 0.850 353 V CB 1.305 33.343 31.823 0.359 0.000 0.987 353 V HN 0.829 nan 8.190 nan 0.000 0.436 354 G N 4.135 113.080 108.800 0.241 0.000 2.563 354 G HA2 0.461 4.420 3.960 -0.001 0.000 0.283 354 G HA3 0.461 4.420 3.960 -0.001 0.000 0.283 354 G C -0.208 174.763 174.900 0.119 0.000 1.309 354 G CA -0.448 44.730 45.100 0.129 0.000 1.022 354 G HN 0.813 nan 8.290 nan 0.000 0.501 355 N N -2.927 115.808 118.700 0.058 0.000 3.184 355 N HA 0.305 5.045 4.740 -0.001 0.000 0.353 355 N C 1.141 176.669 175.510 0.031 0.000 1.441 355 N CA 0.072 53.153 53.050 0.051 0.000 0.723 355 N CB 0.580 39.078 38.487 0.018 0.000 1.547 355 N HN 0.397 nan 8.380 nan 0.000 0.624 356 S N -2.087 113.630 115.700 0.028 0.000 2.515 356 S HA 0.223 4.693 4.470 -0.001 0.000 0.231 356 S C 0.901 175.504 174.600 0.005 0.000 0.987 356 S CA -0.082 58.131 58.200 0.022 0.000 0.936 356 S CB -0.862 62.357 63.200 0.031 0.000 0.766 356 S HN 0.813 nan 8.310 nan 0.000 0.528 357 A N 1.527 124.344 122.820 -0.005 0.000 2.280 357 A HA 0.451 4.771 4.320 -0.001 0.000 0.268 357 A C -0.303 177.274 177.584 -0.012 0.000 1.111 357 A CA -0.551 51.477 52.037 -0.015 0.000 0.814 357 A CB -0.030 18.953 19.000 -0.028 0.000 1.093 357 A HN 0.324 nan 8.150 nan 0.000 0.498 358 D N 1.200 121.591 120.400 -0.014 0.000 2.338 358 D HA 0.284 4.923 4.640 -0.001 0.000 0.255 358 D C -0.613 175.690 176.300 0.005 0.000 1.237 358 D CA 0.726 54.723 54.000 -0.006 0.000 0.883 358 D CB -0.006 40.788 40.800 -0.011 0.000 1.087 358 D HN 0.472 nan 8.370 nan 0.000 0.485 359 N N 1.567 120.280 118.700 0.021 0.000 2.361 359 N HA 0.495 5.234 4.740 -0.001 0.000 0.302 359 N C -0.438 175.115 175.510 0.073 0.000 1.074 359 N CA -0.667 52.403 53.050 0.034 0.000 0.850 359 N CB 2.062 40.571 38.487 0.038 0.000 1.228 359 N HN 0.231 nan 8.380 nan 0.000 0.491 360 I N 2.464 123.084 120.570 0.083 0.000 2.312 360 I HA 0.298 4.468 4.170 -0.001 0.000 0.290 360 I C -0.773 175.438 176.117 0.157 0.000 1.008 360 I CA -0.502 60.885 61.300 0.145 0.000 1.226 360 I CB 0.724 38.804 38.000 0.133 0.000 1.371 360 I HN 0.285 nan 8.210 nan 0.000 0.468 361 L N 6.947 128.301 121.223 0.218 0.000 2.333 361 L HA 0.500 4.839 4.340 -0.001 0.000 0.280 361 L C -0.572 176.467 176.870 0.283 0.000 1.004 361 L CA -0.578 54.390 54.840 0.213 0.000 0.820 361 L CB 1.705 43.887 42.059 0.205 0.000 1.247 361 L HN 0.553 nan 8.230 nan 0.000 0.416 362 Q N 1.545 121.474 119.800 0.215 0.000 2.339 362 Q HA 0.280 4.620 4.340 -0.001 0.000 0.268 362 Q C 0.759 176.856 176.000 0.162 0.000 1.027 362 Q CA -0.357 55.571 55.803 0.208 0.000 0.759 362 Q CB 2.290 31.082 28.738 0.091 0.000 1.244 362 Q HN 0.893 nan 8.270 nan 0.000 0.464 363 G N 1.838 110.740 108.800 0.169 0.000 2.511 363 G HA2 0.242 4.201 3.960 -0.001 0.000 0.217 363 G HA3 0.242 4.201 3.960 -0.001 0.000 0.217 363 G C 0.730 175.681 174.900 0.085 0.000 1.133 363 G CA 0.565 45.733 45.100 0.112 0.000 0.792 363 G HN 0.919 nan 8.290 nan 0.000 0.539 364 G N -0.445 108.405 108.800 0.082 0.000 2.645 364 G HA2 0.263 4.223 3.960 -0.001 0.000 0.239 364 G HA3 0.263 4.223 3.960 -0.001 0.000 0.239 364 G C 0.474 175.398 174.900 0.041 0.000 1.331 364 G CA 0.002 45.132 45.100 0.050 0.000 0.890 364 G HN 1.369 nan 8.290 nan 0.000 0.572 365 A N -0.770 122.064 122.820 0.023 0.000 2.310 365 A HA 0.946 5.266 4.320 -0.001 0.000 0.260 365 A C 1.765 179.357 177.584 0.013 0.000 1.112 365 A CA 1.866 53.913 52.037 0.016 0.000 0.804 365 A CB -0.035 18.968 19.000 0.006 0.000 1.081 365 A HN 3.054 nan 8.150 nan 0.000 0.499 366 G N -0.411 108.392 108.800 0.006 0.000 2.756 366 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.678 366 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.678 366 G C -0.810 174.085 174.900 -0.009 0.000 1.349 366 G CA -0.296 44.803 45.100 -0.001 0.000 0.847 366 G HN 1.030 nan 8.290 nan 0.000 0.548 367 N N 2.018 120.707 118.700 -0.017 0.000 2.485 367 N HA 0.393 5.133 4.740 -0.001 0.000 0.243 367 N C -0.833 174.652 175.510 -0.041 0.000 0.987 367 N CA -0.300 52.732 53.050 -0.031 0.000 0.940 367 N CB 1.188 39.659 38.487 -0.027 0.000 1.122 367 N HN 0.546 nan 8.380 nan 0.000 0.509 368 D N 0.598 120.961 120.400 -0.062 0.000 2.228 368 D HA 0.344 4.984 4.640 -0.001 0.000 0.247 368 D C -0.131 176.107 176.300 -0.103 0.000 0.995 368 D CA -0.442 53.521 54.000 -0.063 0.000 0.903 368 D CB 2.630 43.410 40.800 -0.033 0.000 1.205 368 D HN 0.002 nan 8.370 nan 0.000 0.459 369 V N 2.259 122.134 119.914 -0.065 0.000 2.347 369 V HA 0.271 4.390 4.120 -0.001 0.000 0.280 369 V C -0.393 175.700 176.094 -0.001 0.000 1.021 369 V CA -0.626 61.644 62.300 -0.049 0.000 0.847 369 V CB 1.137 32.954 31.823 -0.011 0.000 0.990 369 V HN 0.282 nan 8.190 nan 0.000 0.444 370 L N 5.471 126.685 121.223 -0.015 0.000 2.329 370 L HA 0.559 4.899 4.340 -0.001 0.000 0.279 370 L C -0.833 176.148 176.870 0.185 0.000 1.014 370 L CA -0.496 54.410 54.840 0.109 0.000 0.814 370 L CB 1.521 43.668 42.059 0.146 0.000 1.257 370 L HN 0.650 nan 8.230 nan 0.000 0.424 371 Y N 0.974 121.310 120.300 0.060 0.000 2.327 371 Y HA 0.550 5.100 4.550 -0.001 0.000 0.325 371 Y C 0.819 176.735 175.900 0.027 0.000 0.999 371 Y CA -0.705 57.401 58.100 0.010 0.000 1.195 371 Y CB 1.975 40.465 38.460 0.050 0.000 1.132 371 Y HN 0.641 nan 8.280 nan 0.000 0.455 372 G N 3.051 111.634 108.800 -0.362 0.000 2.551 372 G HA2 0.331 4.290 3.960 -0.001 0.000 0.216 372 G HA3 0.331 4.290 3.960 -0.001 0.000 0.216 372 G C 0.864 175.547 174.900 -0.360 0.000 1.137 372 G CA 0.506 45.468 45.100 -0.230 0.000 0.798 372 G HN 1.412 nan 8.290 nan 0.000 0.536 373 G N -0.055 108.215 108.800 -0.885 0.000 2.575 373 G HA2 0.192 4.152 3.960 -0.001 0.000 0.267 373 G HA3 0.192 4.152 3.960 -0.001 0.000 0.267 373 G C 0.604 175.404 174.900 -0.166 0.000 1.264 373 G CA 0.217 44.981 45.100 -0.560 0.000 0.935 373 G HN 1.403 nan 8.290 nan 0.000 0.568 374 A N -0.565 122.237 122.820 -0.028 0.000 2.327 374 A HA 0.843 5.163 4.320 -0.001 0.000 0.255 374 A C 1.752 179.335 177.584 -0.002 0.000 1.099 374 A CA 1.913 53.960 52.037 0.017 0.000 0.801 374 A CB -0.099 18.930 19.000 0.047 0.000 1.062 374 A HN 3.017 nan 8.150 nan 0.000 0.496 375 G N -1.888 106.913 108.800 0.003 0.000 2.795 375 G HA2 0.412 4.371 3.960 -0.001 0.000 0.664 375 G HA3 0.412 4.371 3.960 -0.001 0.000 0.664 375 G C 0.041 174.925 174.900 -0.027 0.000 1.381 375 G CA -0.147 44.944 45.100 -0.014 0.000 0.853 375 G HN 2.273 nan 8.290 nan 0.000 0.545 376 A N 1.125 123.917 122.820 -0.048 0.000 2.506 376 A HA 0.601 4.920 4.320 -0.001 0.000 0.320 376 A C 0.204 177.783 177.584 -0.009 0.000 1.424 376 A CA -0.070 51.922 52.037 -0.074 0.000 1.044 376 A CB 0.055 18.968 19.000 -0.145 0.000 1.140 376 A HN 0.588 nan 8.150 nan 0.000 0.538 377 D N 1.187 121.603 120.400 0.027 0.000 2.326 377 D HA 0.511 5.150 4.640 -0.001 0.000 0.251 377 D C -0.442 175.928 176.300 0.117 0.000 1.023 377 D CA 0.133 54.171 54.000 0.063 0.000 0.966 377 D CB 1.745 42.576 40.800 0.051 0.000 1.156 377 D HN 0.336 nan 8.370 nan 0.000 0.494 378 T N 1.136 115.770 114.554 0.132 0.000 2.809 378 T HA 0.480 4.830 4.350 -0.001 0.000 0.284 378 T C -0.117 174.650 174.700 0.111 0.000 0.992 378 T CA -0.584 61.597 62.100 0.135 0.000 0.957 378 T CB 0.721 69.678 68.868 0.148 0.000 0.942 378 T HN 0.092 nan 8.240 nan 0.000 0.439 379 L N 3.506 124.730 121.223 0.002 0.000 2.341 379 L HA 0.589 4.928 4.340 -0.001 0.000 0.278 379 L C -1.287 175.546 176.870 -0.062 0.000 1.005 379 L CA -1.117 53.793 54.840 0.117 0.000 0.818 379 L CB 1.413 43.629 42.059 0.262 0.000 1.259 379 L HN 0.630 nan 8.230 nan 0.000 0.418 380 Y N 0.709 121.181 120.300 0.286 0.000 2.338 380 Y HA 0.345 4.895 4.550 -0.001 0.000 0.328 380 Y C 1.079 177.183 175.900 0.340 0.000 0.965 380 Y CA -0.589 57.672 58.100 0.268 0.000 1.208 380 Y CB 2.045 40.597 38.460 0.153 0.000 1.132 380 Y HN 0.707 nan 8.280 nan 0.000 0.469 381 G N 1.728 110.870 108.800 0.571 0.000 2.464 381 G HA2 0.329 4.289 3.960 -0.001 0.000 0.217 381 G HA3 0.329 4.289 3.960 -0.001 0.000 0.217 381 G C 0.848 175.869 174.900 0.201 0.000 1.138 381 G CA 0.524 45.820 45.100 0.327 0.000 0.793 381 G HN 1.148 nan 8.290 nan 0.000 0.539 382 G N -0.653 108.288 108.800 0.235 0.000 2.741 382 G HA2 0.305 4.265 3.960 -0.001 0.000 0.222 382 G HA3 0.305 4.265 3.960 -0.001 0.000 0.222 382 G C 0.369 175.327 174.900 0.096 0.000 1.364 382 G CA -0.155 45.034 45.100 0.148 0.000 0.866 382 G HN 1.429 nan 8.290 nan 0.000 0.555 383 A N -0.388 122.468 122.820 0.059 0.000 2.507 383 A HA 0.773 5.093 4.320 -0.001 0.000 0.235 383 A C 1.860 179.456 177.584 0.020 0.000 1.070 383 A CA 2.380 54.437 52.037 0.033 0.000 0.768 383 A CB -0.305 18.708 19.000 0.021 0.000 1.011 383 A HN 3.025 nan 8.150 nan 0.000 0.502 384 G N 0.681 109.484 108.800 0.004 0.000 2.631 384 G HA2 -0.039 3.921 3.960 -0.001 0.000 0.504 384 G HA3 -0.039 3.921 3.960 -0.001 0.000 0.504 384 G C -0.525 174.361 174.900 -0.023 0.000 1.306 384 G CA -0.354 44.740 45.100 -0.009 0.000 0.897 384 G HN 1.025 nan 8.290 nan 0.000 0.520 385 R N 1.169 121.651 120.500 -0.031 0.000 2.230 385 R HA 0.374 4.714 4.340 -0.001 0.000 0.337 385 R C -0.885 175.377 176.300 -0.064 0.000 1.063 385 R CA -0.657 55.418 56.100 -0.042 0.000 0.935 385 R CB 0.709 30.993 30.300 -0.026 0.000 1.121 385 R HN 0.479 nan 8.270 nan 0.000 0.486 386 D N 1.627 121.964 120.400 -0.105 0.000 2.217 386 D HA 0.284 4.924 4.640 -0.001 0.000 0.248 386 D C -0.185 175.948 176.300 -0.280 0.000 1.008 386 D CA -0.187 53.677 54.000 -0.228 0.000 0.914 386 D CB 2.284 42.900 40.800 -0.306 0.000 1.182 386 D HN 0.229 nan 8.370 nan 0.000 0.451 387 T N 1.093 115.443 114.554 -0.339 0.000 2.824 387 T HA 0.418 4.768 4.350 -0.001 0.000 0.282 387 T C -0.510 174.011 174.700 -0.298 0.000 0.993 387 T CA -0.541 61.455 62.100 -0.173 0.000 0.967 387 T CB 0.471 69.343 68.868 0.006 0.000 0.960 387 T HN 0.089 nan 8.240 nan 0.000 0.441 388 F N 2.171 122.283 119.950 0.269 0.000 2.361 388 F HA 0.531 5.058 4.527 -0.001 0.000 0.364 388 F C 0.144 176.083 175.800 0.232 0.000 1.117 388 F CA -0.987 57.160 58.000 0.245 0.000 1.071 388 F CB 1.030 40.243 39.000 0.355 0.000 1.188 388 F HN 0.176 nan 8.300 nan 0.000 0.464 389 V N 4.093 124.126 119.914 0.199 0.000 2.472 389 V HA 0.332 4.452 4.120 -0.001 0.000 0.290 389 V C -0.855 175.224 176.094 -0.024 0.000 1.037 389 V CA -1.024 61.424 62.300 0.247 0.000 0.908 389 V CB 1.287 33.317 31.823 0.346 0.000 0.985 389 V HN 0.493 nan 8.190 nan 0.000 0.454 390 Y N 1.957 122.533 120.300 0.461 0.000 2.328 390 Y HA 0.570 5.120 4.550 -0.001 0.000 0.336 390 Y C 1.063 177.185 175.900 0.369 0.000 0.960 390 Y CA -0.502 57.867 58.100 0.448 0.000 1.134 390 Y CB 2.142 40.944 38.460 0.570 0.000 1.166 390 Y HN 0.681 nan 8.280 nan 0.000 0.464 391 G N 0.879 109.971 108.800 0.486 0.000 3.088 391 G HA2 0.294 4.254 3.960 -0.001 0.000 0.217 391 G HA3 0.294 4.254 3.960 -0.001 0.000 0.217 391 G C 0.027 174.884 174.900 -0.072 0.000 1.159 391 G CA 0.595 45.879 45.100 0.307 0.000 0.760 391 G HN 0.559 nan 8.290 nan 0.000 0.550 392 S N -2.660 113.013 115.700 -0.046 0.000 2.611 392 S HA 0.460 4.930 4.470 -0.001 0.000 0.270 392 S C 1.078 175.832 174.600 0.257 0.000 1.131 392 S CA 0.611 58.715 58.200 -0.159 0.000 0.826 392 S CB 0.745 63.951 63.200 0.010 0.000 1.095 392 S HN 0.466 nan 8.310 nan 0.000 0.461 393 G N 0.820 109.807 108.800 0.311 0.000 2.448 393 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.219 393 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.219 393 G C 0.952 176.130 174.900 0.464 0.000 1.127 393 G CA 0.668 46.072 45.100 0.506 0.000 0.766 393 G HN 0.665 nan 8.290 nan 0.000 0.552 394 Q N 0.574 120.560 119.800 0.310 0.000 2.472 394 Q HA -0.009 4.331 4.340 -0.001 0.000 0.208 394 Q C 1.483 177.612 176.000 0.214 0.000 0.958 394 Q CA 0.573 56.515 55.803 0.231 0.000 0.932 394 Q CB 0.009 28.849 28.738 0.171 0.000 1.007 394 Q HN 0.394 nan 8.270 nan 0.000 0.508 395 D N -0.012 120.576 120.400 0.314 0.000 2.224 395 D HA -0.040 4.599 4.640 -0.001 0.000 0.205 395 D C 0.266 176.670 176.300 0.173 0.000 0.965 395 D CA 0.801 54.961 54.000 0.267 0.000 0.852 395 D CB 0.275 41.356 40.800 0.470 0.000 0.947 395 D HN -0.057 nan 8.370 nan 0.000 0.494 396 S N -0.100 115.634 115.700 0.057 0.000 2.708 396 S HA 0.138 4.608 4.470 -0.001 0.000 0.141 396 S C -0.372 174.001 174.600 -0.378 0.000 1.349 396 S CA -0.593 57.431 58.200 -0.294 0.000 1.206 396 S CB -0.297 62.484 63.200 -0.698 0.000 1.603 396 S HN 0.191 nan 8.310 nan 0.000 0.415 397 T N -0.370 114.124 114.554 -0.100 0.000 2.828 397 T HA 0.381 4.730 4.350 -0.001 0.000 0.290 397 T C 1.693 176.371 174.700 -0.037 0.000 1.019 397 T CA -0.514 61.570 62.100 -0.027 0.000 1.031 397 T CB 0.912 69.810 68.868 0.050 0.000 1.001 397 T HN 0.121 nan 8.240 nan 0.000 0.531 398 V N 1.856 121.786 119.914 0.026 0.000 2.392 398 V HA -0.139 3.980 4.120 -0.001 0.000 0.249 398 V C 3.031 179.203 176.094 0.130 0.000 1.059 398 V CA 2.280 64.633 62.300 0.088 0.000 1.051 398 V CB -1.563 30.345 31.823 0.142 0.000 0.658 398 V HN 1.090 nan 8.190 nan 0.000 0.455 399 A N -0.805 122.053 122.820 0.063 0.000 2.121 399 A HA 0.346 4.666 4.320 -0.001 0.000 0.218 399 A C 1.459 179.007 177.584 -0.059 0.000 1.154 399 A CA 1.389 53.440 52.037 0.023 0.000 0.679 399 A CB -0.236 18.778 19.000 0.024 0.000 0.795 399 A HN 0.862 nan 8.150 nan 0.000 0.458 400 A N -0.500 122.262 122.820 -0.096 0.000 3.464 400 A HA 0.506 4.825 4.320 -0.001 0.000 0.243 400 A C -0.273 177.176 177.584 -0.225 0.000 1.100 400 A CA -0.712 51.211 52.037 -0.191 0.000 0.957 400 A CB -0.571 18.373 19.000 -0.094 0.000 1.340 400 A HN 0.612 nan 8.150 nan 0.000 0.645 401 Y N -1.127 119.052 120.300 -0.202 0.000 2.301 401 Y HA 0.672 5.222 4.550 -0.001 0.000 0.328 401 Y C -0.159 175.563 175.900 -0.296 0.000 1.242 401 Y CA -1.444 56.459 58.100 -0.327 0.000 1.323 401 Y CB 0.139 38.311 38.460 -0.480 0.000 1.266 401 Y HN 0.280 nan 8.280 nan 0.000 0.527 402 D N 1.644 121.999 120.400 -0.075 0.000 2.362 402 D HA 0.131 4.770 4.640 -0.001 0.000 0.242 402 D C -1.350 174.911 176.300 -0.065 0.000 1.132 402 D CA 0.229 54.220 54.000 -0.015 0.000 0.907 402 D CB 0.355 41.193 40.800 0.063 0.000 1.195 402 D HN 0.655 nan 8.370 nan 0.000 0.429 403 W N 1.233 122.536 121.300 0.005 0.000 2.573 403 W HA 0.505 5.165 4.660 -0.001 0.000 0.326 403 W C -0.252 176.168 176.519 -0.165 0.000 1.049 403 W CA -0.675 56.629 57.345 -0.068 0.000 1.220 403 W CB 0.946 30.373 29.460 -0.056 0.000 1.373 403 W HN 0.073 nan 8.180 nan 0.000 0.507 404 I N 3.860 124.455 120.570 0.042 0.000 2.328 404 I HA 0.258 4.428 4.170 -0.001 0.000 0.287 404 I C 0.752 176.795 176.117 -0.124 0.000 1.012 404 I CA -0.307 60.873 61.300 -0.200 0.000 1.195 404 I CB 1.510 39.231 38.000 -0.464 0.000 1.350 404 I HN 0.714 nan 8.210 nan 0.000 0.464 405 A N 4.314 126.948 122.820 -0.311 0.000 2.267 405 A HA 0.056 4.375 4.320 -0.001 0.000 0.213 405 A C 0.829 178.346 177.584 -0.111 0.000 1.192 405 A CA 0.396 52.253 52.037 -0.299 0.000 0.851 405 A CB -0.126 18.459 19.000 -0.691 0.000 0.881 405 A HN 0.784 nan 8.150 nan 0.000 0.494 406 D N -1.981 118.402 120.400 -0.027 0.000 2.760 406 D HA 0.117 4.757 4.640 -0.001 0.000 0.314 406 D C -0.284 176.123 176.300 0.178 0.000 1.464 406 D CA -0.654 53.425 54.000 0.133 0.000 0.797 406 D CB -1.235 39.706 40.800 0.234 0.000 1.149 406 D HN 0.066 nan 8.370 nan 0.000 0.455 407 F N 2.064 122.023 119.950 0.015 0.000 2.608 407 F HA 0.162 4.689 4.527 -0.001 0.000 0.380 407 F C 0.376 176.235 175.800 0.098 0.000 1.083 407 F CA 0.662 58.698 58.000 0.059 0.000 1.266 407 F CB 0.685 39.668 39.000 -0.029 0.000 1.076 407 F HN -0.056 nan 8.300 nan 0.000 0.574 408 Q N 6.092 125.592 119.800 -0.499 0.000 2.394 408 Q HA 0.185 4.525 4.340 -0.001 0.000 0.259 408 Q C -0.527 175.249 176.000 -0.375 0.000 1.021 408 Q CA -0.881 54.759 55.803 -0.272 0.000 0.805 408 Q CB 1.487 30.127 28.738 -0.163 0.000 1.226 408 Q HN 0.527 nan 8.270 nan 0.000 0.476 409 K N 0.862 121.216 120.400 -0.077 0.000 2.511 409 K HA 0.035 4.354 4.320 -0.001 0.000 0.280 409 K C 0.889 177.470 176.600 -0.033 0.000 1.008 409 K CA 1.398 57.706 56.287 0.035 0.000 1.050 409 K CB 0.045 32.580 32.500 0.058 0.000 0.889 409 K HN 0.859 nan 8.250 nan 0.000 0.484 410 G N 3.426 112.225 108.800 -0.002 0.000 2.184 410 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.264 410 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.264 410 G C 0.587 175.466 174.900 -0.035 0.000 0.975 410 G CA 0.583 45.678 45.100 -0.008 0.000 0.642 410 G HN 0.651 nan 8.290 nan 0.000 0.536 411 I N -0.565 119.948 120.570 -0.094 0.000 3.739 411 I HA 0.221 4.390 4.170 -0.001 0.000 0.272 411 I C 0.708 176.755 176.117 -0.116 0.000 1.167 411 I CA -0.120 61.124 61.300 -0.093 0.000 1.386 411 I CB 0.070 38.013 38.000 -0.095 0.000 1.490 411 I HN -0.043 nan 8.210 nan 0.000 0.452 412 D N 2.144 122.382 120.400 -0.269 0.000 2.411 412 D HA 0.340 4.980 4.640 -0.001 0.000 0.251 412 D C -0.266 176.048 176.300 0.023 0.000 1.201 412 D CA 0.084 53.963 54.000 -0.202 0.000 0.996 412 D CB 1.003 41.584 40.800 -0.366 0.000 1.101 412 D HN -0.146 nan 8.370 nan 0.000 0.504 413 K N 0.248 120.831 120.400 0.305 0.000 2.469 413 K HA 0.545 4.864 4.320 -0.001 0.000 0.254 413 K C -0.669 176.321 176.600 0.650 0.000 0.939 413 K CA -0.614 55.937 56.287 0.439 0.000 0.812 413 K CB 2.081 34.731 32.500 0.250 0.000 1.301 413 K HN 0.332 nan 8.250 nan 0.000 0.433 414 I N 1.370 122.278 120.570 0.563 0.000 2.389 414 I HA 0.168 4.338 4.170 -0.001 0.000 0.288 414 I C -0.338 176.023 176.117 0.406 0.000 0.999 414 I CA -0.635 60.977 61.300 0.521 0.000 1.129 414 I CB 1.700 39.901 38.000 0.335 0.000 1.288 414 I HN 0.346 nan 8.210 nan 0.000 0.444 415 D N 7.831 128.491 120.400 0.435 0.000 2.373 415 D HA 0.306 4.946 4.640 -0.001 0.000 0.227 415 D C 0.065 176.593 176.300 0.380 0.000 1.091 415 D CA -0.228 53.980 54.000 0.346 0.000 0.840 415 D CB 1.402 42.391 40.800 0.314 0.000 1.060 415 D HN 0.474 nan 8.370 nan 0.000 0.502 416 L N 3.083 124.476 121.223 0.283 0.000 2.910 416 L HA 0.056 4.396 4.340 -0.001 0.000 0.252 416 L C 2.141 179.152 176.870 0.235 0.000 1.195 416 L CA -0.190 54.834 54.840 0.307 0.000 1.003 416 L CB 0.150 42.264 42.059 0.092 0.000 1.328 416 L HN 0.282 nan 8.230 nan 0.000 0.540 417 S N 0.506 116.281 115.700 0.125 0.000 2.419 417 S HA -0.190 4.280 4.470 -0.001 0.000 0.233 417 S C 2.163 176.693 174.600 -0.117 0.000 1.016 417 S CA 0.917 59.132 58.200 0.025 0.000 0.974 417 S CB -0.128 63.093 63.200 0.035 0.000 0.786 417 S HN 0.404 nan 8.310 nan 0.000 0.492 418 A N 0.872 123.505 122.820 -0.312 0.000 2.032 418 A HA 0.040 4.359 4.320 -0.001 0.000 0.221 418 A C 1.705 179.052 177.584 -0.395 0.000 1.165 418 A CA 1.302 52.974 52.037 -0.608 0.000 0.645 418 A CB -1.083 17.388 19.000 -0.881 0.000 0.807 418 A HN 0.607 nan 8.150 nan 0.000 0.453 419 F N -0.370 119.468 119.950 -0.187 0.000 2.661 419 F HA 0.026 4.552 4.527 -0.001 0.000 0.298 419 F C 2.261 177.983 175.800 -0.129 0.000 1.137 419 F CA 0.737 58.644 58.000 -0.155 0.000 1.454 419 F CB -0.153 38.734 39.000 -0.189 0.000 1.103 419 F HN 0.136 nan 8.300 nan 0.000 0.577 420 R N 0.675 121.181 120.500 0.010 0.000 2.127 420 R HA -0.215 4.125 4.340 -0.001 0.000 0.238 420 R C 1.789 178.073 176.300 -0.028 0.000 1.134 420 R CA 1.600 57.693 56.100 -0.013 0.000 0.975 420 R CB -0.971 29.312 30.300 -0.029 0.000 0.865 420 R HN 0.522 nan 8.270 nan 0.000 0.447 421 N N 1.383 120.048 118.700 -0.059 0.000 2.503 421 N HA -0.229 4.510 4.740 -0.001 0.000 0.189 421 N C 0.739 176.234 175.510 -0.025 0.000 1.048 421 N CA 1.478 54.497 53.050 -0.051 0.000 0.905 421 N CB -0.044 38.397 38.487 -0.077 0.000 0.951 421 N HN 0.497 nan 8.380 nan 0.000 0.446 422 E N -1.459 118.737 120.200 -0.007 0.000 2.876 422 E HA 0.310 4.660 4.350 -0.001 0.000 0.208 422 E C -0.043 176.557 176.600 0.000 0.000 0.981 422 E CA -0.651 55.752 56.400 0.004 0.000 1.174 422 E CB 0.515 30.230 29.700 0.024 0.000 1.047 422 E HN 0.270 nan 8.360 nan 0.000 0.477 423 G N 1.786 110.582 108.800 -0.006 0.000 3.014 423 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.683 423 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.683 423 G C -0.909 173.979 174.900 -0.020 0.000 1.271 423 G CA -0.796 44.295 45.100 -0.016 0.000 0.843 423 G HN 0.196 nan 8.290 nan 0.000 0.612 424 Q N 1.185 120.970 119.800 -0.025 0.000 2.263 424 Q HA 0.431 4.770 4.340 -0.001 0.000 0.289 424 Q C 0.708 176.666 176.000 -0.071 0.000 1.061 424 Q CA 0.118 55.900 55.803 -0.036 0.000 0.927 424 Q CB 0.391 29.114 28.738 -0.025 0.000 1.154 424 Q HN 0.587 nan 8.270 nan 0.000 0.378 425 L N 3.468 124.624 121.223 -0.112 0.000 2.456 425 L HA 0.225 4.564 4.340 -0.001 0.000 0.272 425 L C 0.291 177.019 176.870 -0.237 0.000 1.189 425 L CA -0.104 54.616 54.840 -0.200 0.000 0.846 425 L CB 0.594 42.474 42.059 -0.298 0.000 1.111 425 L HN 0.870 nan 8.230 nan 0.000 0.475 426 S N 1.797 117.368 115.700 -0.215 0.000 2.568 426 S HA 0.635 5.104 4.470 -0.001 0.000 0.302 426 S C -0.637 173.818 174.600 -0.242 0.000 1.082 426 S CA -0.875 57.211 58.200 -0.190 0.000 1.009 426 S CB 1.292 64.468 63.200 -0.039 0.000 1.069 426 S HN 0.258 nan 8.310 nan 0.000 0.500 427 F N 1.293 121.256 119.950 0.021 0.000 2.418 427 F HA 0.515 5.042 4.527 -0.001 0.000 0.341 427 F C 0.659 176.465 175.800 0.010 0.000 1.120 427 F CA -0.371 57.640 58.000 0.018 0.000 1.232 427 F CB 1.351 40.356 39.000 0.008 0.000 1.175 427 F HN 0.608 nan 8.300 nan 0.000 0.569 428 V N 0.377 120.413 119.914 0.203 0.000 2.962 428 V HA 0.428 4.547 4.120 -0.001 0.000 0.313 428 V C 0.034 176.140 176.094 0.021 0.000 1.099 428 V CA -0.836 61.506 62.300 0.071 0.000 0.971 428 V CB 1.989 33.805 31.823 -0.012 0.000 1.028 428 V HN 0.702 nan 8.190 nan 0.000 0.430 429 Q N 2.290 122.080 119.800 -0.017 0.000 2.033 429 Q HA 0.059 4.399 4.340 -0.001 0.000 0.196 429 Q C 0.669 176.625 176.000 -0.074 0.000 0.970 429 Q CA 2.221 58.005 55.803 -0.032 0.000 0.828 429 Q CB -0.058 28.665 28.738 -0.025 0.000 0.895 429 Q HN 1.168 nan 8.270 nan 0.000 0.440 430 D N -1.706 118.624 120.400 -0.116 0.000 2.583 430 D HA 0.056 4.695 4.640 -0.001 0.000 0.282 430 D C -0.282 175.889 176.300 -0.216 0.000 1.485 430 D CA -0.207 53.702 54.000 -0.152 0.000 0.834 430 D CB -0.089 40.662 40.800 -0.083 0.000 1.258 430 D HN 0.161 nan 8.370 nan 0.000 0.470 431 Q N -0.471 119.180 119.800 -0.249 0.000 2.391 431 Q HA 0.478 4.818 4.340 -0.001 0.000 0.279 431 Q C -1.492 174.360 176.000 -0.247 0.000 1.028 431 Q CA -0.986 54.674 55.803 -0.238 0.000 0.836 431 Q CB 1.412 30.091 28.738 -0.098 0.000 1.414 431 Q HN -0.012 nan 8.270 nan 0.000 0.397 432 F N 1.097 121.029 119.950 -0.031 0.000 2.379 432 F HA 0.272 4.798 4.527 -0.001 0.000 0.332 432 F C 1.645 177.456 175.800 0.018 0.000 1.096 432 F CA -0.058 57.946 58.000 0.007 0.000 1.105 432 F CB 2.035 41.030 39.000 -0.008 0.000 1.189 432 F HN 0.859 nan 8.300 nan 0.000 0.515 433 T N -1.818 112.891 114.554 0.258 0.000 3.009 433 T HA 0.276 4.626 4.350 -0.001 0.000 0.258 433 T C 1.528 176.309 174.700 0.135 0.000 1.063 433 T CA 0.632 62.817 62.100 0.142 0.000 1.139 433 T CB 0.211 69.138 68.868 0.100 0.000 0.890 433 T HN 1.045 nan 8.240 nan 0.000 0.471 434 G N 1.312 110.224 108.800 0.186 0.000 2.218 434 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.216 434 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.216 434 G C 0.838 175.783 174.900 0.075 0.000 0.994 434 G CA 0.231 45.432 45.100 0.168 0.000 0.637 434 G HN 0.518 nan 8.290 nan 0.000 0.505 435 K N 0.837 121.260 120.400 0.039 0.000 2.442 435 K HA 0.389 4.709 4.320 -0.001 0.000 0.198 435 K C 1.568 178.097 176.600 -0.118 0.000 1.042 435 K CA 0.804 57.077 56.287 -0.022 0.000 0.958 435 K CB -0.165 32.333 32.500 -0.003 0.000 0.766 435 K HN 1.592 nan 8.250 nan 0.000 0.474 436 G N 0.923 109.582 108.800 -0.234 0.000 2.814 436 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.677 436 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.677 436 G C -0.532 174.215 174.900 -0.254 0.000 1.429 436 G CA -0.250 44.559 45.100 -0.484 0.000 0.868 436 G HN 0.178 nan 8.290 nan 0.000 0.553 437 Q N -1.079 118.556 119.800 -0.275 0.000 2.487 437 Q HA -0.156 4.184 4.340 -0.001 0.000 0.279 437 Q C 0.169 176.085 176.000 -0.140 0.000 1.228 437 Q CA 2.504 58.196 55.803 -0.185 0.000 0.873 437 Q CB -1.404 27.259 28.738 -0.125 0.000 1.260 437 Q HN 0.910 nan 8.270 nan 0.000 0.471 438 E N -1.405 118.747 120.200 -0.079 0.000 2.277 438 E HA 0.738 5.088 4.350 -0.001 0.000 0.266 438 E C -0.777 175.911 176.600 0.148 0.000 0.901 438 E CA -1.049 55.388 56.400 0.061 0.000 0.782 438 E CB 2.231 32.102 29.700 0.286 0.000 1.228 438 E HN 0.011 nan 8.360 nan 0.000 0.424 439 V N 2.467 122.426 119.914 0.075 0.000 2.656 439 V HA 0.486 4.606 4.120 -0.001 0.000 0.307 439 V C -0.485 175.734 176.094 0.207 0.000 1.051 439 V CA -0.723 61.635 62.300 0.096 0.000 0.893 439 V CB 1.800 33.506 31.823 -0.194 0.000 0.999 439 V HN 0.675 nan 8.190 nan 0.000 0.426 440 M N 4.957 124.701 119.600 0.240 0.000 2.457 440 M HA 0.654 5.133 4.480 -0.001 0.000 0.300 440 M C -2.164 174.247 176.300 0.184 0.000 1.141 440 M CA -0.626 54.749 55.300 0.125 0.000 0.901 440 M CB 2.171 34.664 32.600 -0.180 0.000 1.687 440 M HN 0.538 nan 8.290 nan 0.000 0.449 441 L N 4.253 125.554 121.223 0.131 0.000 2.307 441 L HA 0.529 4.868 4.340 -0.001 0.000 0.284 441 L C -0.592 176.351 176.870 0.121 0.000 1.023 441 L CA -0.733 54.168 54.840 0.101 0.000 0.810 441 L CB 1.782 43.873 42.059 0.054 0.000 1.231 441 L HN 0.605 nan 8.230 nan 0.000 0.423 442 Q N 3.178 123.071 119.800 0.156 0.000 2.321 442 Q HA 0.246 4.585 4.340 -0.001 0.000 0.270 442 Q C -1.426 174.704 176.000 0.216 0.000 1.032 442 Q CA -0.326 55.585 55.803 0.180 0.000 0.784 442 Q CB 3.157 32.036 28.738 0.235 0.000 1.264 442 Q HN 0.656 nan 8.270 nan 0.000 0.448 443 W N 4.173 125.477 121.300 0.007 0.000 2.361 443 W HA 0.243 4.903 4.660 -0.001 0.000 0.309 443 W C -0.926 175.599 176.519 0.009 0.000 1.122 443 W CA -0.388 56.958 57.345 0.001 0.000 1.208 443 W CB 1.206 30.666 29.460 -0.000 0.000 1.246 443 W HN 0.543 nan 8.180 nan 0.000 0.490 444 D N 4.825 124.835 120.400 -0.650 0.000 2.485 444 D HA 0.338 4.978 4.640 -0.001 0.000 0.229 444 D C 0.958 176.621 176.300 -1.062 0.000 1.101 444 D CA -0.020 53.611 54.000 -0.616 0.000 0.906 444 D CB 1.333 41.923 40.800 -0.350 0.000 1.019 444 D HN 0.414 nan 8.370 nan 0.000 0.516 445 A N 3.663 125.953 122.820 -0.883 0.000 1.902 445 A HA -0.043 4.277 4.320 -0.001 0.000 0.217 445 A C 2.139 179.525 177.584 -0.330 0.000 1.181 445 A CA 1.741 53.416 52.037 -0.603 0.000 0.623 445 A CB -0.586 18.349 19.000 -0.108 0.000 0.818 445 A HN 0.612 nan 8.150 nan 0.000 0.443 446 A N -0.205 122.469 122.820 -0.243 0.000 1.978 446 A HA -0.167 4.153 4.320 -0.001 0.000 0.220 446 A C 1.767 179.259 177.584 -0.153 0.000 1.170 446 A CA 1.752 53.702 52.037 -0.145 0.000 0.636 446 A CB -0.377 18.561 19.000 -0.104 0.000 0.810 446 A HN 0.565 nan 8.150 nan 0.000 0.448 447 N N -1.177 117.386 118.700 -0.229 0.000 2.220 447 N HA 0.078 4.817 4.740 -0.001 0.000 0.195 447 N C -0.149 175.239 175.510 -0.203 0.000 1.123 447 N CA 0.777 53.729 53.050 -0.164 0.000 0.874 447 N CB 0.610 39.030 38.487 -0.112 0.000 0.995 447 N HN 0.217 nan 8.380 nan 0.000 0.498 448 S N 0.703 116.148 115.700 -0.425 0.000 3.749 448 S HA -0.131 4.339 4.470 -0.001 0.000 0.348 448 S C -0.227 174.210 174.600 -0.273 0.000 1.045 448 S CA 0.410 58.339 58.200 -0.452 0.000 1.051 448 S CB -1.147 62.076 63.200 0.038 0.000 0.898 448 S HN 0.269 nan 8.310 nan 0.000 0.472 449 I N 1.389 121.711 120.570 -0.413 0.000 2.474 449 I HA 0.391 4.561 4.170 -0.001 0.000 0.294 449 I C 0.718 176.813 176.117 -0.035 0.000 1.005 449 I CA -0.202 61.056 61.300 -0.070 0.000 1.113 449 I CB 1.751 39.740 38.000 -0.018 0.000 1.289 449 I HN 0.024 nan 8.210 nan 0.000 0.436 450 T N 5.345 119.989 114.554 0.151 0.000 2.767 450 T HA 0.346 4.695 4.350 -0.001 0.000 0.284 450 T C 0.126 174.762 174.700 -0.107 0.000 0.973 450 T CA -0.587 61.597 62.100 0.140 0.000 0.996 450 T CB 0.518 69.492 68.868 0.176 0.000 0.927 450 T HN 0.310 nan 8.240 nan 0.000 0.456 451 N N 2.958 121.562 118.700 -0.160 0.000 2.422 451 N HA 0.324 5.063 4.740 -0.001 0.000 0.266 451 N C -0.826 174.429 175.510 -0.424 0.000 1.007 451 N CA -0.469 52.315 53.050 -0.444 0.000 0.941 451 N CB 1.264 39.488 38.487 -0.438 0.000 1.115 451 N HN 0.574 nan 8.380 nan 0.000 0.492 452 L N 3.194 124.104 121.223 -0.521 0.000 2.265 452 L HA 0.499 4.839 4.340 -0.001 0.000 0.289 452 L C -1.179 175.468 176.870 -0.373 0.000 1.033 452 L CA -0.743 53.919 54.840 -0.297 0.000 0.814 452 L CB 0.550 42.470 42.059 -0.231 0.000 1.203 452 L HN 0.463 nan 8.230 nan 0.000 0.423 453 W N 5.879 127.208 121.300 0.049 0.000 2.606 453 W HA 0.613 5.273 4.660 -0.001 0.000 0.332 453 W C -0.798 175.853 176.519 0.220 0.000 1.052 453 W CA -0.483 56.953 57.345 0.151 0.000 1.223 453 W CB 1.697 31.325 29.460 0.279 0.000 1.383 453 W HN 0.288 nan 8.180 nan 0.000 0.524 454 L N 3.403 124.863 121.223 0.395 0.000 2.404 454 L HA 0.369 4.709 4.340 -0.001 0.000 0.272 454 L C -0.684 176.164 176.870 -0.037 0.000 0.980 454 L CA -0.738 54.139 54.840 0.062 0.000 0.836 454 L CB 1.113 42.941 42.059 -0.385 0.000 1.238 454 L HN 0.549 nan 8.230 nan 0.000 0.408 455 H N 4.886 123.749 119.070 -0.345 0.000 2.690 455 H HA 0.239 4.795 4.556 -0.001 0.000 0.289 455 H C -0.686 174.455 175.328 -0.312 0.000 1.089 455 H CA -0.520 55.232 56.048 -0.493 0.000 1.299 455 H CB 0.952 30.134 29.762 -0.967 0.000 1.405 455 H HN 0.661 nan 8.280 nan 0.000 0.463 456 E N 3.366 123.436 120.200 -0.217 0.000 2.313 456 E HA 0.385 4.734 4.350 -0.001 0.000 0.272 456 E C -0.511 176.010 176.600 -0.132 0.000 1.038 456 E CA -0.823 55.454 56.400 -0.206 0.000 0.863 456 E CB 0.953 30.541 29.700 -0.188 0.000 1.060 456 E HN 0.756 nan 8.360 nan 0.000 0.402 457 A N 2.428 125.195 122.820 -0.088 0.000 2.540 457 A HA 0.370 4.690 4.320 -0.001 0.000 0.239 457 A C 1.153 178.769 177.584 0.053 0.000 1.061 457 A CA 0.788 52.787 52.037 -0.063 0.000 0.758 457 A CB -0.492 18.488 19.000 -0.035 0.000 0.991 457 A HN 0.985 nan 8.150 nan 0.000 0.502 458 G N 1.291 110.091 108.800 0.000 0.000 2.199 458 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.254 458 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.254 458 G C 0.196 175.069 174.900 -0.045 0.000 0.982 458 G CA 0.443 45.535 45.100 -0.014 0.000 0.632 458 G HN 1.052 nan 8.290 nan 0.000 0.529 459 H N 0.776 119.843 119.070 -0.005 0.000 2.552 459 H HA 0.465 5.021 4.556 -0.001 0.000 0.311 459 H C 0.992 176.405 175.328 0.141 0.000 1.071 459 H CA 0.280 56.368 56.048 0.066 0.000 1.307 459 H CB 1.714 31.538 29.762 0.103 0.000 1.416 459 H HN 0.157 nan 8.280 nan 0.000 0.464 460 S N 2.262 118.057 115.700 0.157 0.000 2.406 460 S HA -0.070 4.400 4.470 -0.001 0.000 0.228 460 S C 1.054 175.701 174.600 0.079 0.000 1.020 460 S CA 0.645 58.921 58.200 0.126 0.000 0.965 460 S CB 0.186 63.414 63.200 0.047 0.000 0.798 460 S HN 0.707 nan 8.310 nan 0.000 0.488 461 S N 0.203 115.942 115.700 0.065 0.000 2.704 461 S HA 0.611 5.080 4.470 -0.001 0.000 0.305 461 S C -0.438 174.096 174.600 -0.111 0.000 1.107 461 S CA -0.912 57.244 58.200 -0.073 0.000 0.993 461 S CB 1.515 64.701 63.200 -0.022 0.000 1.110 461 S HN -0.059 nan 8.310 nan 0.000 0.534 462 V N 2.440 122.189 119.914 -0.274 0.000 2.397 462 V HA 0.195 4.315 4.120 -0.001 0.000 0.262 462 V C -0.212 175.895 176.094 0.023 0.000 1.047 462 V CA 0.063 62.216 62.300 -0.244 0.000 1.003 462 V CB 0.012 31.609 31.823 -0.377 0.000 1.037 462 V HN 0.886 nan 8.190 nan 0.000 0.480 463 D N 3.171 123.609 120.400 0.063 0.000 2.433 463 D HA 0.165 4.805 4.640 -0.001 0.000 0.211 463 D C -0.166 176.217 176.300 0.139 0.000 1.114 463 D CA 0.313 54.379 54.000 0.109 0.000 0.837 463 D CB 0.700 41.571 40.800 0.119 0.000 0.984 463 D HN 0.463 nan 8.370 nan 0.000 0.505 464 F N 1.662 121.602 119.950 -0.018 0.000 2.507 464 F HA 0.531 5.057 4.527 -0.001 0.000 0.325 464 F C -1.423 174.312 175.800 -0.109 0.000 1.116 464 F CA -1.189 56.768 58.000 -0.071 0.000 0.930 464 F CB 1.520 40.433 39.000 -0.145 0.000 1.146 464 F HN -0.258 nan 8.300 nan 0.000 0.447 465 L N 6.940 127.754 121.223 -0.680 0.000 2.493 465 L HA 0.744 5.083 4.340 -0.001 0.000 0.265 465 L C -2.022 174.284 176.870 -0.941 0.000 0.954 465 L CA -0.509 53.843 54.840 -0.813 0.000 0.844 465 L CB 2.093 43.581 42.059 -0.953 0.000 1.302 465 L HN 0.379 nan 8.230 nan 0.000 0.405 466 V N 4.864 124.270 119.914 -0.847 0.000 2.448 466 V HA 0.622 4.741 4.120 -0.001 0.000 0.295 466 V C -0.109 175.551 176.094 -0.724 0.000 1.025 466 V CA -0.599 61.274 62.300 -0.710 0.000 0.859 466 V CB 1.777 33.235 31.823 -0.607 0.000 0.988 466 V HN 0.744 nan 8.190 nan 0.000 0.431 467 R N 4.736 124.750 120.500 -0.810 0.000 2.368 467 R HA 0.720 5.060 4.340 -0.001 0.000 0.302 467 R C -1.105 174.959 176.300 -0.393 0.000 1.002 467 R CA -0.522 55.060 56.100 -0.863 0.000 0.929 467 R CB 1.665 30.975 30.300 -1.651 0.000 1.073 467 R HN 0.582 nan 8.270 nan 0.000 0.464 468 I N 2.365 122.831 120.570 -0.174 0.000 2.447 468 I HA 0.179 4.349 4.170 -0.001 0.000 0.287 468 I C -0.159 176.066 176.117 0.180 0.000 1.023 468 I CA -1.041 60.252 61.300 -0.011 0.000 1.083 468 I CB 2.283 40.177 38.000 -0.177 0.000 1.245 468 I HN 0.276 nan 8.210 nan 0.000 0.434 469 V N 6.204 126.258 119.914 0.232 0.000 2.302 469 V HA 0.620 4.739 4.120 -0.001 0.000 0.244 469 V C 0.799 177.007 176.094 0.189 0.000 1.160 469 V CA 0.182 62.590 62.300 0.180 0.000 1.127 469 V CB -0.962 30.892 31.823 0.051 0.000 1.253 469 V HN 1.079 nan 8.190 nan 0.000 0.496 470 G N 3.942 112.901 108.800 0.265 0.000 2.351 470 G HA2 0.056 4.016 3.960 -0.001 0.000 0.353 470 G HA3 0.056 4.016 3.960 -0.001 0.000 0.353 470 G C -1.173 173.935 174.900 0.346 0.000 1.358 470 G CA -0.992 44.290 45.100 0.303 0.000 0.995 470 G HN 0.408 nan 8.290 nan 0.000 0.611 471 Q N -0.618 119.288 119.800 0.177 0.000 2.306 471 Q HA 0.629 4.968 4.340 -0.001 0.000 0.241 471 Q C 0.195 176.269 176.000 0.124 0.000 0.948 471 Q CA 0.179 55.960 55.803 -0.036 0.000 0.886 471 Q CB 1.670 30.216 28.738 -0.320 0.000 1.227 471 Q HN 1.314 nan 8.270 nan 0.000 0.457 472 A N 0.558 123.411 122.820 0.055 0.000 2.515 472 A HA 0.791 5.111 4.320 -0.001 0.000 0.298 472 A C -1.480 176.127 177.584 0.039 0.000 1.059 472 A CA -0.533 51.588 52.037 0.139 0.000 0.698 472 A CB 1.680 20.632 19.000 -0.080 0.000 1.289 472 A HN 0.707 nan 8.150 nan 0.000 0.404 473 A N 0.303 123.169 122.820 0.077 0.000 2.320 473 A HA 0.593 4.912 4.320 -0.001 0.000 0.334 473 A C 0.877 178.430 177.584 -0.053 0.000 1.147 473 A CA -0.082 51.945 52.037 -0.017 0.000 0.820 473 A CB 0.910 19.899 19.000 -0.017 0.000 1.218 473 A HN 1.042 nan 8.150 nan 0.000 0.482 474 Q N 0.872 120.565 119.800 -0.178 0.000 2.173 474 Q HA -0.212 4.127 4.340 -0.001 0.000 0.208 474 Q C 1.648 177.463 176.000 -0.309 0.000 0.989 474 Q CA 2.455 58.006 55.803 -0.420 0.000 0.872 474 Q CB -0.168 28.222 28.738 -0.580 0.000 0.909 474 Q HN 0.930 nan 8.270 nan 0.000 0.420 475 S N -0.394 115.218 115.700 -0.146 0.000 2.607 475 S HA -0.029 4.441 4.470 -0.001 0.000 0.224 475 S C 0.551 175.188 174.600 0.062 0.000 0.969 475 S CA 0.578 58.751 58.200 -0.045 0.000 0.927 475 S CB 0.220 63.405 63.200 -0.026 0.000 0.772 475 S HN 0.340 nan 8.310 nan 0.000 0.533 476 D N 1.041 121.508 120.400 0.112 0.000 2.350 476 D HA 0.192 4.832 4.640 -0.001 0.000 0.213 476 D C -0.053 176.425 176.300 0.296 0.000 1.031 476 D CA 0.172 54.322 54.000 0.250 0.000 0.861 476 D CB 0.235 41.294 40.800 0.432 0.000 0.926 476 D HN 0.366 nan 8.370 nan 0.000 0.520 477 I N 2.265 122.986 120.570 0.252 0.000 2.321 477 I HA 0.176 4.345 4.170 -0.001 0.000 0.291 477 I C 0.132 176.460 176.117 0.351 0.000 0.998 477 I CA -0.935 60.563 61.300 0.330 0.000 1.227 477 I CB 1.141 39.418 38.000 0.461 0.000 1.368 477 I HN -0.241 nan 8.210 nan 0.000 0.466 478 I N 7.795 128.530 120.570 0.275 0.000 2.304 478 I HA 0.339 4.509 4.170 -0.001 0.000 0.291 478 I C 0.490 176.707 176.117 0.166 0.000 1.018 478 I CA -0.414 61.017 61.300 0.219 0.000 1.260 478 I CB 0.990 39.106 38.000 0.193 0.000 1.390 478 I HN 0.309 nan 8.210 nan 0.000 0.475 479 V N 0.000 119.990 119.914 0.127 0.000 2.409 479 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 479 V CA 0.000 62.311 62.300 0.019 0.000 1.235 479 V CB 0.000 31.733 31.823 -0.150 0.000 1.184 479 V HN 0.000 nan 8.190 nan 0.000 0.556