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 2v0h_1_A DATA FIRST_RESID 4 DATA SEQUENCE KALSAVILAA GKGTRMYSDL PKVLHTIAGK PMVKHVIDTA HQLGSENIHL DATA SEQUENCE IYGHGGDLMR THLANEQVNW VLQTEQLGTA HAVQQAAPFF KDNENIVVLY DATA SEQUENCE GDAPLITKET LEKLIEAKPE NGIALLTVNL DNPTGYGRII RENGNVVAIV DATA SEQUENCE EQKDANAEQL NIKEVNTGVM VSDGASFKKW LARVGNNNAQ GEYYLTDLIA DATA SEQUENCE LANQDNCQVV AVQATDVMEV EGANNRLQLA ALERYFQNKQ ASKLLLEGVM DATA SEQUENCE IYDPARFDLR GTLEHGKDVE IDVNVIIEGN VKLGDRVKIG TGCVLKNVVI DATA SEQUENCE GNDVEIKPYS VLEDSIVGEK AAIGPFSRLR PGAELAAETH VGNFVEIKKS DATA SEQUENCE TVGKGSKVNH LTYVGDSEIG SNCNIGAGVI TCNYDGANKF KTIIGDDVFV DATA SEQUENCE GSDTQLVAPV KVANGATIGA GTTITRDVGE NELVITRVAQ RHIQGWQRPI 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.600 176.600 -0.001 0.000 0.988 4 K CA 0.000 56.288 56.287 0.001 0.000 0.838 4 K CB 0.000 32.502 32.500 0.003 0.000 1.064 5 A N 0.575 123.395 122.820 0.001 0.000 2.346 5 A HA 0.558 4.878 4.320 0.000 0.000 0.255 5 A C -0.588 176.993 177.584 -0.004 0.000 1.113 5 A CA -0.161 51.875 52.037 -0.001 0.000 0.798 5 A CB 0.164 19.168 19.000 0.007 0.000 1.073 5 A HN 0.643 nan 8.150 nan 0.000 0.502 6 L N -0.560 120.657 121.223 -0.009 0.000 2.482 6 L HA 0.686 5.026 4.340 0.000 0.000 0.263 6 L C -0.474 176.386 176.870 -0.017 0.000 0.957 6 L CA 0.251 55.081 54.840 -0.016 0.000 0.836 6 L CB 2.219 44.266 42.059 -0.019 0.000 1.324 6 L HN 0.636 nan 8.230 nan 0.000 0.406 7 S N 1.998 117.683 115.700 -0.025 0.000 2.632 7 S HA 0.989 5.459 4.470 0.000 0.000 0.289 7 S C -1.035 173.546 174.600 -0.031 0.000 1.115 7 S CA -0.243 57.953 58.200 -0.006 0.000 0.889 7 S CB 1.876 65.126 63.200 0.082 0.000 1.116 7 S HN 0.957 nan 8.310 nan 0.000 0.486 8 A N 1.086 123.906 122.820 -0.000 0.000 2.356 8 A HA 0.857 5.177 4.320 0.000 0.000 0.323 8 A C -1.185 176.428 177.584 0.047 0.000 1.119 8 A CA -0.640 51.385 52.037 -0.020 0.000 0.790 8 A CB 1.043 20.025 19.000 -0.030 0.000 1.273 8 A HN 0.587 nan 8.150 nan 0.000 0.452 9 V N 2.318 122.217 119.914 -0.026 0.000 2.448 9 V HA 0.443 4.563 4.120 0.000 0.000 0.295 9 V C -0.562 175.480 176.094 -0.086 0.000 1.025 9 V CA -0.146 62.154 62.300 -0.001 0.000 0.859 9 V CB 1.316 33.116 31.823 -0.039 0.000 0.988 9 V HN 0.702 nan 8.190 nan 0.000 0.431 10 I N 5.445 125.972 120.570 -0.072 0.000 2.389 10 I HA 0.357 4.527 4.170 0.000 0.000 0.288 10 I C -0.958 175.110 176.117 -0.083 0.000 0.999 10 I CA -0.743 60.495 61.300 -0.103 0.000 1.129 10 I CB 1.785 39.737 38.000 -0.081 0.000 1.288 10 I HN 0.325 nan 8.210 nan 0.000 0.444 11 L N 6.334 127.483 121.223 -0.123 0.000 2.315 11 L HA 0.434 4.774 4.340 0.000 0.000 0.283 11 L C 0.731 177.635 176.870 0.056 0.000 1.089 11 L CA 0.428 55.249 54.840 -0.032 0.000 0.833 11 L CB 0.985 43.016 42.059 -0.046 0.000 1.170 11 L HN 0.779 nan 8.230 nan 0.000 0.442 12 A N 3.019 125.890 122.820 0.085 0.000 2.524 12 A HA 0.616 4.937 4.320 0.000 0.000 0.267 12 A C 1.062 178.740 177.584 0.156 0.000 0.881 12 A CA 0.403 52.506 52.037 0.110 0.000 1.077 12 A CB 0.075 19.120 19.000 0.075 0.000 1.220 12 A HN 0.620 nan 8.150 nan 0.000 0.488 13 A N -0.201 122.713 122.820 0.156 0.000 2.238 13 A HA 0.521 4.842 4.320 0.000 0.000 0.210 13 A C 1.319 179.051 177.584 0.247 0.000 1.179 13 A CA 0.688 52.832 52.037 0.179 0.000 0.827 13 A CB -0.309 18.767 19.000 0.127 0.000 0.856 13 A HN 0.967 nan 8.150 nan 0.000 0.488 14 G N -0.584 108.322 108.800 0.177 0.000 2.483 14 G HA2 0.290 4.251 3.960 0.000 0.000 0.248 14 G HA3 0.290 4.251 3.960 0.000 0.000 0.248 14 G C 0.629 175.544 174.900 0.025 0.000 1.248 14 G CA -0.062 45.103 45.100 0.108 0.000 0.838 14 G HN 0.357 nan 8.290 nan 0.000 0.566 15 K N 1.027 121.287 120.400 -0.233 0.000 2.155 15 K HA 0.083 4.403 4.320 0.000 0.000 0.203 15 K C 1.593 178.124 176.600 -0.116 0.000 1.052 15 K CA 0.882 56.988 56.287 -0.302 0.000 0.948 15 K CB -0.261 31.880 32.500 -0.599 0.000 0.728 15 K HN 1.050 nan 8.250 nan 0.000 0.448 16 G N 1.281 110.022 108.800 -0.098 0.000 2.333 16 G HA2 -0.237 3.724 3.960 0.000 0.000 0.296 16 G HA3 -0.237 3.724 3.960 0.000 0.000 0.296 16 G C 0.405 175.217 174.900 -0.147 0.000 1.059 16 G CA 0.550 45.607 45.100 -0.072 0.000 1.050 16 G HN 0.354 nan 8.290 nan 0.000 0.508 17 T N -0.086 114.347 114.554 -0.202 0.000 2.759 17 T HA -0.128 4.222 4.350 0.000 0.000 0.269 17 T C 2.385 176.727 174.700 -0.597 0.000 1.042 17 T CA 1.660 63.582 62.100 -0.297 0.000 1.140 17 T CB -0.094 68.638 68.868 -0.226 0.000 0.864 17 T HN 0.601 nan 8.240 nan 0.000 0.455 18 R N 0.313 120.513 120.500 -0.499 0.000 2.313 18 R HA 0.217 4.558 4.340 0.000 0.000 0.199 18 R C 1.857 177.880 176.300 -0.462 0.000 0.958 18 R CA 0.264 55.990 56.100 -0.622 0.000 1.047 18 R CB -0.029 30.127 30.300 -0.240 0.000 0.955 18 R HN 0.338 nan 8.270 nan 0.000 0.481 19 M N -0.822 118.558 119.600 -0.367 0.000 2.506 19 M HA 0.002 4.482 4.480 0.000 0.000 0.260 19 M C -0.200 176.074 176.300 -0.044 0.000 1.104 19 M CA 0.609 55.778 55.300 -0.219 0.000 1.112 19 M CB -0.253 32.169 32.600 -0.297 0.000 1.401 19 M HN 0.103 nan 8.290 nan 0.000 0.473 20 Y N 0.444 120.741 120.300 -0.006 0.000 3.027 20 Y HA -0.219 4.331 4.550 0.000 0.000 0.195 20 Y C 0.521 176.445 175.900 0.041 0.000 1.381 20 Y CA 0.288 58.396 58.100 0.013 0.000 1.015 20 Y CB -1.900 36.562 38.460 0.003 0.000 1.329 20 Y HN 0.239 nan 8.280 nan 0.000 0.462 21 S N -0.751 115.030 115.700 0.136 0.000 2.569 21 S HA 0.463 4.933 4.470 0.000 0.000 0.280 21 S C 0.488 175.147 174.600 0.099 0.000 1.111 21 S CA -0.819 57.474 58.200 0.156 0.000 0.887 21 S CB 1.442 64.825 63.200 0.304 0.000 1.095 21 S HN 0.229 nan 8.310 nan 0.000 0.476 22 D N 1.594 122.039 120.400 0.074 0.000 2.347 22 D HA 0.178 4.818 4.640 0.000 0.000 0.215 22 D C 0.430 176.733 176.300 0.006 0.000 0.976 22 D CA 0.588 54.613 54.000 0.042 0.000 0.884 22 D CB -0.024 40.799 40.800 0.038 0.000 0.915 22 D HN 0.419 nan 8.370 nan 0.000 0.526 23 L N 2.074 123.280 121.223 -0.029 0.000 2.418 23 L HA 0.236 4.576 4.340 0.000 0.000 0.265 23 L C -1.868 174.956 176.870 -0.076 0.000 1.143 23 L CA -1.676 53.078 54.840 -0.144 0.000 0.809 23 L CB 0.576 42.404 42.059 -0.385 0.000 1.124 23 L HN -0.154 nan 8.230 nan 0.000 0.456 24 P HA 0.047 nan 4.420 nan 0.000 0.274 24 P C -0.013 177.303 177.300 0.027 0.000 1.246 24 P CA -0.515 62.593 63.100 0.014 0.000 0.795 24 P CB 0.904 32.638 31.700 0.057 0.000 1.006 25 K N 0.702 121.162 120.400 0.101 0.000 2.044 25 K HA -0.145 4.175 4.320 0.000 0.000 0.210 25 K C 1.456 178.182 176.600 0.210 0.000 1.049 25 K CA 2.289 58.682 56.287 0.177 0.000 0.927 25 K CB -0.480 32.077 32.500 0.095 0.000 0.713 25 K HN 0.360 nan 8.250 nan 0.000 0.443 26 V N -1.317 118.661 119.914 0.108 0.000 3.623 26 V HA 0.072 4.192 4.120 0.000 0.000 0.271 26 V C 1.467 177.587 176.094 0.043 0.000 1.248 26 V CA 0.608 62.963 62.300 0.090 0.000 1.156 26 V CB -0.175 31.695 31.823 0.080 0.000 0.870 26 V HN 0.180 nan 8.190 nan 0.000 0.453 27 L N -0.292 120.899 121.223 -0.053 0.000 2.509 27 L HA 0.258 4.598 4.340 0.000 0.000 0.222 27 L C 0.855 177.639 176.870 -0.145 0.000 1.123 27 L CA 0.050 54.812 54.840 -0.131 0.000 0.856 27 L CB -0.479 41.419 42.059 -0.268 0.000 0.985 27 L HN 0.429 nan 8.230 nan 0.000 0.456 28 H N 0.373 119.446 119.070 0.005 0.000 2.928 28 H HA 0.050 4.606 4.556 0.000 0.000 0.338 28 H C 0.745 176.087 175.328 0.024 0.000 1.047 28 H CA 0.256 56.312 56.048 0.014 0.000 1.435 28 H CB 0.439 30.205 29.762 0.007 0.000 1.428 28 H HN 0.045 nan 8.280 nan 0.000 0.590 29 T N 1.371 116.007 114.554 0.137 0.000 2.909 29 T HA 0.458 4.808 4.350 0.000 0.000 0.286 29 T C 0.061 174.800 174.700 0.065 0.000 1.002 29 T CA -0.929 61.228 62.100 0.096 0.000 1.074 29 T CB 0.889 69.805 68.868 0.080 0.000 0.984 29 T HN 0.290 nan 8.240 nan 0.000 0.495 30 I N 1.849 122.444 120.570 0.041 0.000 2.436 30 I HA 0.487 4.658 4.170 0.000 0.000 0.289 30 I C 0.932 177.055 176.117 0.011 0.000 1.010 30 I CA -0.634 60.623 61.300 -0.072 0.000 1.098 30 I CB 0.705 38.479 38.000 -0.377 0.000 1.266 30 I HN 1.166 nan 8.210 nan 0.000 0.434 31 A N 4.910 127.745 122.820 0.025 0.000 2.745 31 A HA -0.096 4.224 4.320 0.000 0.000 0.296 31 A C 1.386 179.027 177.584 0.095 0.000 1.500 31 A CA 1.331 53.434 52.037 0.110 0.000 0.766 31 A CB -1.889 17.240 19.000 0.215 0.000 1.030 31 A HN 2.045 nan 8.150 nan 0.000 0.489 32 G N -1.957 106.884 108.800 0.069 0.000 2.179 32 G HA2 -0.259 3.701 3.960 0.000 0.000 0.260 32 G HA3 -0.259 3.701 3.960 0.000 0.000 0.260 32 G C 0.037 174.959 174.900 0.036 0.000 0.977 32 G CA 1.431 46.560 45.100 0.049 0.000 0.641 32 G HN 1.593 nan 8.290 nan 0.000 0.533 33 K N 0.756 121.185 120.400 0.049 0.000 2.397 33 K HA 0.569 4.889 4.320 0.000 0.000 0.253 33 K C -2.699 173.944 176.600 0.071 0.000 0.932 33 K CA -2.477 53.804 56.287 -0.011 0.000 0.795 33 K CB 2.298 34.664 32.500 -0.223 0.000 1.159 33 K HN -0.093 nan 8.250 nan 0.000 0.424 34 P HA -0.064 nan 4.420 nan 0.000 0.264 34 P C 0.656 178.046 177.300 0.149 0.000 1.179 34 P CA 0.413 63.562 63.100 0.082 0.000 0.763 34 P CB 0.481 32.213 31.700 0.053 0.000 0.806 35 M N 2.378 122.058 119.600 0.135 0.000 2.106 35 M HA -0.188 4.292 4.480 0.000 0.000 0.259 35 M C 1.952 178.329 176.300 0.129 0.000 1.068 35 M CA 1.887 57.262 55.300 0.126 0.000 1.100 35 M CB -0.726 31.913 32.600 0.065 0.000 1.351 35 M HN 0.185 nan 8.290 nan 0.000 0.404 36 V N 0.328 120.290 119.914 0.081 0.000 2.515 36 V HA -0.254 3.867 4.120 0.000 0.000 0.250 36 V C 2.289 178.398 176.094 0.024 0.000 1.058 36 V CA 1.967 64.294 62.300 0.045 0.000 1.064 36 V CB -0.400 31.432 31.823 0.016 0.000 0.675 36 V HN 0.391 nan 8.190 nan 0.000 0.461 37 K N -0.362 120.048 120.400 0.017 0.000 2.097 37 K HA -0.178 4.142 4.320 0.000 0.000 0.205 37 K C 2.028 178.591 176.600 -0.062 0.000 1.050 37 K CA 1.826 58.086 56.287 -0.045 0.000 0.938 37 K CB -0.603 31.850 32.500 -0.079 0.000 0.718 37 K HN 0.673 nan 8.250 nan 0.000 0.442 38 H N -0.468 118.584 119.070 -0.029 0.000 2.352 38 H HA -0.097 4.459 4.556 0.000 0.000 0.299 38 H C 1.973 177.306 175.328 0.008 0.000 1.097 38 H CA 1.950 57.987 56.048 -0.019 0.000 1.311 38 H CB -0.015 29.713 29.762 -0.057 0.000 1.377 38 H HN 0.044 nan 8.280 nan 0.000 0.504 39 V N 1.080 121.071 119.914 0.129 0.000 2.379 39 V HA -0.194 3.926 4.120 0.000 0.000 0.245 39 V C 2.681 178.796 176.094 0.035 0.000 1.044 39 V CA 1.230 63.577 62.300 0.077 0.000 1.036 39 V CB -0.483 31.374 31.823 0.057 0.000 0.664 39 V HN 0.253 nan 8.190 nan 0.000 0.453 40 I N 0.351 120.921 120.570 -0.000 0.000 2.163 40 I HA -0.263 3.907 4.170 0.000 0.000 0.243 40 I C 2.334 178.455 176.117 0.007 0.000 1.085 40 I CA 1.761 63.042 61.300 -0.031 0.000 1.347 40 I CB -0.483 37.468 38.000 -0.082 0.000 1.044 40 I HN 0.306 nan 8.210 nan 0.000 0.408 41 D N 0.257 120.662 120.400 0.008 0.000 2.117 41 D HA -0.150 4.490 4.640 0.000 0.000 0.197 41 D C 2.238 178.592 176.300 0.090 0.000 0.987 41 D CA 1.597 55.619 54.000 0.037 0.000 0.829 41 D CB -0.416 40.385 40.800 0.002 0.000 0.961 41 D HN 0.271 nan 8.370 nan 0.000 0.460 42 T N 0.545 115.149 114.554 0.083 0.000 2.746 42 T HA -0.097 4.253 4.350 0.000 0.000 0.267 42 T C 1.988 176.726 174.700 0.063 0.000 1.039 42 T CA 1.417 63.568 62.100 0.085 0.000 1.142 42 T CB -0.255 68.670 68.868 0.096 0.000 0.866 42 T HN 0.193 nan 8.240 nan 0.000 0.444 43 A N 0.867 123.718 122.820 0.052 0.000 1.933 43 A HA -0.172 4.149 4.320 0.000 0.000 0.218 43 A C 2.006 179.612 177.584 0.037 0.000 1.175 43 A CA 2.201 54.256 52.037 0.030 0.000 0.628 43 A CB -0.858 18.147 19.000 0.008 0.000 0.814 43 A HN 0.673 nan 8.150 nan 0.000 0.444 44 H N 0.347 119.401 119.070 -0.026 0.000 2.357 44 H HA -0.118 4.438 4.556 0.000 0.000 0.301 44 H C 2.250 177.569 175.328 -0.014 0.000 1.082 44 H CA 1.946 57.977 56.048 -0.028 0.000 1.342 44 H CB -0.146 29.596 29.762 -0.034 0.000 1.389 44 H HN 0.687 nan 8.280 nan 0.000 0.511 45 Q N -0.285 119.518 119.800 0.005 0.000 2.369 45 Q HA -0.080 4.260 4.340 0.000 0.000 0.206 45 Q C 1.801 177.765 176.000 -0.059 0.000 0.963 45 Q CA 0.977 56.757 55.803 -0.039 0.000 0.894 45 Q CB -0.158 28.607 28.738 0.045 0.000 0.965 45 Q HN 0.427 nan 8.270 nan 0.000 0.475 46 L N 0.722 121.920 121.223 -0.042 0.000 2.291 46 L HA 0.153 4.493 4.340 0.000 0.000 0.214 46 L C 1.109 177.940 176.870 -0.064 0.000 1.120 46 L CA 2.035 56.855 54.840 -0.034 0.000 0.799 46 L CB -0.153 41.900 42.059 -0.011 0.000 0.925 46 L HN 0.547 nan 8.230 nan 0.000 0.446 47 G N -1.529 107.199 108.800 -0.121 0.000 2.135 47 G HA2 -0.211 3.749 3.960 0.000 0.000 0.183 47 G HA3 -0.211 3.749 3.960 0.000 0.000 0.183 47 G C 0.308 175.145 174.900 -0.106 0.000 1.004 47 G CA 0.166 45.184 45.100 -0.136 0.000 0.677 47 G HN 0.277 nan 8.290 nan 0.000 0.512 48 S N -0.043 115.601 115.700 -0.094 0.000 2.516 48 S HA 0.271 4.742 4.470 0.000 0.000 0.282 48 S C 1.277 175.847 174.600 -0.050 0.000 1.286 48 S CA 0.390 58.557 58.200 -0.054 0.000 1.066 48 S CB 1.817 64.996 63.200 -0.035 0.000 0.884 48 S HN 0.494 nan 8.310 nan 0.000 0.491 49 E N 3.068 123.246 120.200 -0.036 0.000 2.051 49 E HA -0.049 4.301 4.350 0.000 0.000 0.189 49 E C -0.140 176.433 176.600 -0.046 0.000 0.979 49 E CA 0.703 57.086 56.400 -0.027 0.000 0.803 49 E CB 0.220 29.914 29.700 -0.009 0.000 0.761 49 E HN 0.675 nan 8.360 nan 0.000 0.451 50 N N -0.489 118.168 118.700 -0.073 0.000 2.319 50 N HA 0.421 5.161 4.740 0.000 0.000 0.305 50 N C -1.220 174.146 175.510 -0.239 0.000 1.103 50 N CA -0.483 52.447 53.050 -0.200 0.000 0.815 50 N CB 2.408 40.726 38.487 -0.281 0.000 1.288 50 N HN -0.063 nan 8.380 nan 0.000 0.493 51 I N 1.962 122.337 120.570 -0.325 0.000 2.420 51 I HA 0.175 4.346 4.170 0.000 0.000 0.282 51 I C -0.652 175.246 176.117 -0.364 0.000 1.019 51 I CA -0.649 60.498 61.300 -0.255 0.000 1.130 51 I CB 0.810 38.707 38.000 -0.172 0.000 1.262 51 I HN 0.429 nan 8.210 nan 0.000 0.454 52 H N 6.700 125.709 119.070 -0.102 0.000 2.705 52 H HA 0.243 4.800 4.556 0.000 0.000 0.291 52 H C -0.595 174.652 175.328 -0.134 0.000 1.085 52 H CA -0.730 55.252 56.048 -0.110 0.000 1.357 52 H CB 1.912 31.679 29.762 0.008 0.000 1.419 52 H HN 0.323 nan 8.280 nan 0.000 0.462 53 L N 5.794 126.932 121.223 -0.142 0.000 2.268 53 L HA 0.181 4.521 4.340 0.000 0.000 0.289 53 L C -0.477 176.398 176.870 0.008 0.000 1.064 53 L CA -0.512 54.222 54.840 -0.177 0.000 0.824 53 L CB 0.138 41.897 42.059 -0.499 0.000 1.202 53 L HN 0.433 nan 8.230 nan 0.000 0.433 54 I N 7.061 127.666 120.570 0.060 0.000 2.363 54 I HA 0.155 4.325 4.170 0.000 0.000 0.292 54 I C -0.087 176.156 176.117 0.211 0.000 1.075 54 I CA -0.161 61.212 61.300 0.123 0.000 1.333 54 I CB -0.637 37.389 38.000 0.044 0.000 1.415 54 I HN 0.584 nan 8.210 nan 0.000 0.502 55 Y N 4.280 124.616 120.300 0.060 0.000 2.633 55 Y HA 0.928 5.479 4.550 0.000 0.000 0.339 55 Y C 0.315 176.266 175.900 0.084 0.000 1.045 55 Y CA -0.973 57.187 58.100 0.100 0.000 1.098 55 Y CB 1.636 40.209 38.460 0.189 0.000 1.296 55 Y HN 0.532 nan 8.280 nan 0.000 0.494 56 G N -0.026 108.735 108.800 -0.065 0.000 3.410 56 G HA2 0.071 4.032 3.960 0.000 0.000 0.127 56 G HA3 0.071 4.032 3.960 0.000 0.000 0.127 56 G C -1.107 173.709 174.900 -0.140 0.000 1.332 56 G CA -0.517 44.445 45.100 -0.231 0.000 1.156 56 G HN 0.747 nan 8.290 nan 0.000 0.591 57 H N 0.640 119.721 119.070 0.018 0.000 2.897 57 H HA 0.412 4.968 4.556 0.000 0.000 0.347 57 H C 1.338 176.702 175.328 0.061 0.000 1.068 57 H CA 1.403 57.469 56.048 0.031 0.000 1.426 57 H CB 0.871 30.651 29.762 0.030 0.000 1.410 57 H HN 1.028 nan 8.280 nan 0.000 0.597 58 G N 2.223 111.120 108.800 0.161 0.000 2.305 58 G HA2 -0.315 3.646 3.960 0.000 0.000 0.287 58 G HA3 -0.315 3.646 3.960 0.000 0.000 0.287 58 G C 1.413 176.392 174.900 0.133 0.000 1.036 58 G CA 0.608 45.772 45.100 0.108 0.000 0.887 58 G HN 0.988 nan 8.290 nan 0.000 0.505 59 G N 0.044 108.931 108.800 0.146 0.000 2.440 59 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 59 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 59 G C 1.316 176.335 174.900 0.198 0.000 1.154 59 G CA 1.605 46.866 45.100 0.269 0.000 0.767 59 G HN 0.624 nan 8.290 nan 0.000 0.552 60 D N 0.168 120.624 120.400 0.093 0.000 2.144 60 D HA -0.042 4.599 4.640 0.000 0.000 0.199 60 D C 2.580 178.910 176.300 0.051 0.000 0.984 60 D CA 0.574 54.598 54.000 0.040 0.000 0.834 60 D CB -0.238 40.577 40.800 0.026 0.000 0.955 60 D HN 0.330 nan 8.370 nan 0.000 0.465 61 L N -0.372 120.889 121.223 0.063 0.000 2.093 61 L HA -0.117 4.223 4.340 0.000 0.000 0.208 61 L C 2.538 179.455 176.870 0.078 0.000 1.085 61 L CA 0.571 55.447 54.840 0.059 0.000 0.755 61 L CB -0.351 41.660 42.059 -0.080 0.000 0.904 61 L HN 0.152 nan 8.230 nan 0.000 0.435 62 M N -0.636 119.021 119.600 0.093 0.000 2.117 62 M HA -0.163 4.317 4.480 0.000 0.000 0.262 62 M C 2.417 178.822 176.300 0.174 0.000 1.065 62 M CA 1.654 57.058 55.300 0.173 0.000 1.114 62 M CB -0.985 31.795 32.600 0.300 0.000 1.361 62 M HN 0.223 nan 8.290 nan 0.000 0.408 63 R N -0.172 120.285 120.500 -0.072 0.000 2.092 63 R HA -0.066 4.275 4.340 0.000 0.000 0.231 63 R C 2.226 178.447 176.300 -0.132 0.000 1.119 63 R CA 1.985 57.852 56.100 -0.388 0.000 0.970 63 R CB -1.126 28.879 30.300 -0.492 0.000 0.864 63 R HN 0.565 nan 8.270 nan 0.000 0.440 64 T N -2.331 112.227 114.554 0.008 0.000 2.896 64 T HA -0.070 4.280 4.350 0.000 0.000 0.263 64 T C 1.586 176.306 174.700 0.033 0.000 1.050 64 T CA 1.015 63.128 62.100 0.020 0.000 1.140 64 T CB -0.327 68.568 68.868 0.045 0.000 0.877 64 T HN 0.247 nan 8.240 nan 0.000 0.457 65 H N 0.851 119.926 119.070 0.009 0.000 2.502 65 H HA 0.394 4.950 4.556 0.000 0.000 0.283 65 H C 1.135 176.488 175.328 0.042 0.000 1.015 65 H CA 0.651 56.711 56.048 0.020 0.000 1.298 65 H CB -0.067 29.706 29.762 0.018 0.000 1.411 65 H HN 0.321 nan 8.280 nan 0.000 0.556 66 L N -0.594 120.754 121.223 0.208 0.000 3.289 66 L HA 0.404 4.744 4.340 0.000 0.000 0.291 66 L C 1.646 178.664 176.870 0.246 0.000 1.279 66 L CA -0.074 54.888 54.840 0.202 0.000 1.025 66 L CB 0.536 42.736 42.059 0.236 0.000 1.413 66 L HN 0.143 nan 8.230 nan 0.000 0.593 67 A N 0.522 123.418 122.820 0.126 0.000 1.940 67 A HA -0.223 4.097 4.320 0.000 0.000 0.219 67 A C 1.899 179.537 177.584 0.090 0.000 1.176 67 A CA 2.082 54.161 52.037 0.071 0.000 0.631 67 A CB -0.352 18.637 19.000 -0.017 0.000 0.814 67 A HN 0.491 nan 8.150 nan 0.000 0.446 68 N N 0.076 118.809 118.700 0.055 0.000 2.322 68 N HA 0.029 4.769 4.740 0.000 0.000 0.194 68 N C -0.493 175.024 175.510 0.011 0.000 1.126 68 N CA 0.017 53.081 53.050 0.024 0.000 0.845 68 N CB 0.052 38.534 38.487 -0.008 0.000 0.976 68 N HN 0.297 nan 8.380 nan 0.000 0.475 69 E N 0.536 120.757 120.200 0.036 0.000 2.338 69 E HA 0.053 4.403 4.350 0.000 0.000 0.272 69 E C -0.300 176.264 176.600 -0.061 0.000 1.029 69 E CA 0.042 56.416 56.400 -0.043 0.000 0.872 69 E CB 0.671 30.320 29.700 -0.085 0.000 1.015 69 E HN 0.305 nan 8.360 nan 0.000 0.417 70 Q N 1.541 121.275 119.800 -0.110 0.000 2.678 70 Q HA 0.221 4.561 4.340 0.000 0.000 0.222 70 Q C -0.169 175.728 176.000 -0.172 0.000 1.281 70 Q CA -0.311 55.427 55.803 -0.108 0.000 0.994 70 Q CB 0.157 28.837 28.738 -0.097 0.000 1.452 70 Q HN 0.315 nan 8.270 nan 0.000 0.570 71 V N -1.179 118.587 119.914 -0.247 0.000 3.040 71 V HA 0.463 4.584 4.120 0.000 0.000 0.312 71 V C -0.713 175.138 176.094 -0.405 0.000 1.115 71 V CA -1.289 60.772 62.300 -0.398 0.000 0.998 71 V CB 2.217 33.668 31.823 -0.620 0.000 1.042 71 V HN 0.550 nan 8.190 nan 0.000 0.433 72 N N 2.099 120.555 118.700 -0.406 0.000 2.406 72 N HA 0.251 4.991 4.740 0.000 0.000 0.251 72 N C -1.295 174.057 175.510 -0.264 0.000 1.069 72 N CA -0.552 52.314 53.050 -0.307 0.000 0.947 72 N CB 0.541 38.787 38.487 -0.402 0.000 1.111 72 N HN 0.771 nan 8.380 nan 0.000 0.497 73 W N 4.118 125.348 121.300 -0.116 0.000 2.546 73 W HA 0.236 4.897 4.660 0.000 0.000 0.323 73 W C -0.286 176.319 176.519 0.142 0.000 1.272 73 W CA -0.590 56.726 57.345 -0.049 0.000 1.404 73 W CB 0.574 29.961 29.460 -0.122 0.000 1.411 73 W HN 0.127 nan 8.180 nan 0.000 0.480 74 V N 6.656 126.805 119.914 0.391 0.000 2.277 74 V HA 0.127 4.247 4.120 0.000 0.000 0.269 74 V C -0.242 176.029 176.094 0.294 0.000 1.036 74 V CA -0.966 61.512 62.300 0.298 0.000 0.821 74 V CB 0.560 32.488 31.823 0.176 0.000 1.052 74 V HN 0.221 nan 8.190 nan 0.000 0.462 75 L N 5.075 126.392 121.223 0.156 0.000 2.342 75 L HA 0.359 4.699 4.340 0.000 0.000 0.285 75 L C 0.288 177.051 176.870 -0.179 0.000 1.095 75 L CA 0.503 55.169 54.840 -0.289 0.000 0.843 75 L CB 0.877 42.759 42.059 -0.296 0.000 1.201 75 L HN 0.757 nan 8.230 nan 0.000 0.445 76 Q N 2.244 121.926 119.800 -0.195 0.000 2.294 76 Q HA 0.157 4.497 4.340 0.000 0.000 0.257 76 Q C 0.856 176.785 176.000 -0.119 0.000 0.955 76 Q CA 0.330 56.066 55.803 -0.112 0.000 0.936 76 Q CB 1.165 29.859 28.738 -0.074 0.000 1.188 76 Q HN 0.864 nan 8.270 nan 0.000 0.420 77 T N 0.445 114.964 114.554 -0.060 0.000 2.985 77 T HA -0.026 4.325 4.350 0.000 0.000 0.266 77 T C 0.079 174.753 174.700 -0.044 0.000 1.076 77 T CA 0.732 62.793 62.100 -0.064 0.000 1.135 77 T CB 0.026 68.874 68.868 -0.033 0.000 0.890 77 T HN 0.727 nan 8.240 nan 0.000 0.480 78 E N 0.367 120.583 120.200 0.026 0.000 2.343 78 E HA 0.342 4.692 4.350 0.000 0.000 0.278 78 E C -1.575 175.094 176.600 0.115 0.000 0.910 78 E CA -1.088 55.336 56.400 0.040 0.000 0.757 78 E CB 1.279 30.990 29.700 0.018 0.000 1.218 78 E HN 0.191 nan 8.360 nan 0.000 0.435 79 Q N 2.472 122.335 119.800 0.104 0.000 2.361 79 Q HA 0.257 4.597 4.340 0.000 0.000 0.250 79 Q C 0.139 176.200 176.000 0.101 0.000 1.023 79 Q CA 0.022 55.907 55.803 0.137 0.000 0.915 79 Q CB 0.835 29.654 28.738 0.135 0.000 1.238 79 Q HN 0.558 nan 8.270 nan 0.000 0.451 80 L N 1.378 122.681 121.223 0.133 0.000 2.959 80 L HA 0.421 4.761 4.340 0.000 0.000 0.259 80 L C 0.568 177.509 176.870 0.118 0.000 1.185 80 L CA -0.400 54.480 54.840 0.066 0.000 0.998 80 L CB 0.514 42.511 42.059 -0.103 0.000 1.337 80 L HN 0.805 nan 8.230 nan 0.000 0.555 81 G N -0.170 108.684 108.800 0.091 0.000 2.406 81 G HA2 -0.159 3.802 3.960 0.000 0.000 0.680 81 G HA3 -0.159 3.802 3.960 0.000 0.000 0.680 81 G C 0.437 175.401 174.900 0.107 0.000 1.338 81 G CA -0.207 44.893 45.100 -0.000 0.000 0.941 81 G HN 0.057 nan 8.290 nan 0.000 0.633 82 T N -1.498 113.114 114.554 0.097 0.000 2.788 82 T HA 0.169 4.519 4.350 0.000 0.000 0.268 82 T C 2.640 177.443 174.700 0.172 0.000 1.044 82 T CA 2.374 64.579 62.100 0.176 0.000 1.139 82 T CB -0.301 68.731 68.868 0.274 0.000 0.867 82 T HN 1.958 nan 8.240 nan 0.000 0.454 83 A N 1.522 124.464 122.820 0.203 0.000 1.933 83 A HA -0.124 4.196 4.320 0.000 0.000 0.218 83 A C 2.212 179.882 177.584 0.143 0.000 1.175 83 A CA 1.999 54.161 52.037 0.209 0.000 0.628 83 A CB -1.169 17.989 19.000 0.264 0.000 0.814 83 A HN 0.718 nan 8.150 nan 0.000 0.444 84 H N 0.090 119.184 119.070 0.040 0.000 2.387 84 H HA 0.064 4.620 4.556 0.000 0.000 0.299 84 H C 2.120 177.432 175.328 -0.027 0.000 1.090 84 H CA 1.743 57.760 56.048 -0.052 0.000 1.332 84 H CB -0.286 29.440 29.762 -0.059 0.000 1.386 84 H HN 0.373 nan 8.280 nan 0.000 0.516 85 A N -0.072 122.704 122.820 -0.074 0.000 1.877 85 A HA -0.109 4.212 4.320 0.000 0.000 0.216 85 A C 2.689 180.203 177.584 -0.118 0.000 1.186 85 A CA 1.759 53.726 52.037 -0.116 0.000 0.620 85 A CB -0.945 18.058 19.000 0.006 0.000 0.822 85 A HN 0.325 nan 8.150 nan 0.000 0.443 86 V N -0.016 119.866 119.914 -0.054 0.000 2.427 86 V HA -0.277 3.843 4.120 0.000 0.000 0.248 86 V C 2.627 178.649 176.094 -0.120 0.000 1.051 86 V CA 2.146 64.414 62.300 -0.052 0.000 1.048 86 V CB -0.782 31.037 31.823 -0.007 0.000 0.666 86 V HN 0.734 nan 8.190 nan 0.000 0.456 87 Q N -0.687 119.033 119.800 -0.133 0.000 2.291 87 Q HA -0.204 4.137 4.340 0.000 0.000 0.205 87 Q C 2.309 178.137 176.000 -0.287 0.000 0.970 87 Q CA 0.959 56.645 55.803 -0.195 0.000 0.876 87 Q CB 0.037 28.702 28.738 -0.121 0.000 0.935 87 Q HN 0.612 nan 8.270 nan 0.000 0.455 88 Q N -0.720 118.905 119.800 -0.290 0.000 2.170 88 Q HA -0.129 4.212 4.340 0.000 0.000 0.203 88 Q C 1.624 177.530 176.000 -0.158 0.000 0.976 88 Q CA 1.444 57.109 55.803 -0.231 0.000 0.858 88 Q CB -0.049 28.567 28.738 -0.202 0.000 0.907 88 Q HN 0.421 nan 8.270 nan 0.000 0.433 89 A N 0.160 122.845 122.820 -0.225 0.000 2.195 89 A HA 0.299 4.620 4.320 0.000 0.000 0.210 89 A C 2.195 179.254 177.584 -0.875 0.000 1.165 89 A CA 0.841 52.723 52.037 -0.258 0.000 0.806 89 A CB -0.140 18.723 19.000 -0.229 0.000 0.847 89 A HN 0.283 nan 8.150 nan 0.000 0.482 90 A N 1.331 123.484 122.820 -1.110 0.000 1.948 90 A HA -0.075 4.245 4.320 0.000 0.000 0.220 90 A C 0.058 177.050 177.584 -0.987 0.000 1.177 90 A CA 1.925 53.028 52.037 -1.558 0.000 0.636 90 A CB -1.585 16.989 19.000 -0.710 0.000 0.815 90 A HN 0.433 nan 8.150 nan 0.000 0.449 91 P HA -0.119 nan 4.420 nan 0.000 0.221 91 P C 0.558 177.477 177.300 -0.634 0.000 1.145 91 P CA 0.939 63.633 63.100 -0.677 0.000 0.795 91 P CB -0.153 31.043 31.700 -0.840 0.000 0.775 92 F N -2.800 116.994 119.950 -0.261 0.000 2.776 92 F HA 0.205 4.733 4.527 0.000 0.000 0.300 92 F C 1.074 176.951 175.800 0.128 0.000 1.116 92 F CA -0.522 57.459 58.000 -0.032 0.000 1.375 92 F CB -0.884 38.177 39.000 0.103 0.000 1.109 92 F HN -0.198 nan 8.300 nan 0.000 0.585 93 F N 1.958 121.920 119.950 0.021 0.000 2.538 93 F HA 0.120 4.647 4.527 0.000 0.000 0.371 93 F C 0.913 176.738 175.800 0.042 0.000 1.087 93 F CA -0.803 57.209 58.000 0.020 0.000 1.250 93 F CB 0.336 39.318 39.000 -0.030 0.000 1.110 93 F HN -0.246 nan 8.300 nan 0.000 0.570 94 K N 2.889 123.436 120.400 0.245 0.000 2.298 94 K HA 0.005 4.325 4.320 0.000 0.000 0.280 94 K C 0.389 177.056 176.600 0.113 0.000 1.032 94 K CA -0.577 55.794 56.287 0.141 0.000 0.958 94 K CB 0.790 33.351 32.500 0.103 0.000 0.978 94 K HN 0.531 nan 8.250 nan 0.000 0.472 95 D N 1.841 122.286 120.400 0.075 0.000 2.149 95 D HA -0.146 4.495 4.640 0.000 0.000 0.198 95 D C 0.331 176.648 176.300 0.028 0.000 0.990 95 D CA 1.646 55.674 54.000 0.047 0.000 0.839 95 D CB 0.035 40.846 40.800 0.018 0.000 0.948 95 D HN 0.523 nan 8.370 nan 0.000 0.460 96 N N 0.238 118.953 118.700 0.026 0.000 2.328 96 N HA 0.077 4.817 4.740 0.000 0.000 0.247 96 N C -0.459 175.061 175.510 0.016 0.000 1.165 96 N CA -0.205 52.853 53.050 0.014 0.000 0.873 96 N CB 0.781 39.273 38.487 0.009 0.000 1.125 96 N HN 0.302 nan 8.380 nan 0.000 0.513 97 E N -0.470 119.743 120.200 0.022 0.000 2.212 97 E HA 0.334 4.685 4.350 0.000 0.000 0.270 97 E C -0.729 175.871 176.600 -0.001 0.000 0.956 97 E CA -0.916 55.492 56.400 0.012 0.000 0.825 97 E CB 0.977 30.689 29.700 0.020 0.000 1.167 97 E HN -0.073 nan 8.360 nan 0.000 0.400 98 N N 1.580 120.278 118.700 -0.004 0.000 2.503 98 N HA 0.255 4.995 4.740 0.000 0.000 0.267 98 N C -0.618 174.868 175.510 -0.039 0.000 1.214 98 N CA -0.083 52.968 53.050 0.002 0.000 0.959 98 N CB 0.668 39.163 38.487 0.013 0.000 1.142 98 N HN 0.448 nan 8.380 nan 0.000 0.455 99 I N 1.461 122.020 120.570 -0.019 0.000 2.466 99 I HA 0.242 4.412 4.170 0.000 0.000 0.289 99 I C -0.304 175.810 176.117 -0.005 0.000 1.026 99 I CA -0.749 60.452 61.300 -0.165 0.000 1.078 99 I CB 1.603 39.238 38.000 -0.608 0.000 1.249 99 I HN 0.052 nan 8.210 nan 0.000 0.429 100 V N 7.875 127.756 119.914 -0.054 0.000 2.435 100 V HA 0.518 4.638 4.120 0.000 0.000 0.290 100 V C -0.466 175.592 176.094 -0.061 0.000 1.030 100 V CA -0.381 61.921 62.300 0.003 0.000 0.881 100 V CB 2.119 33.950 31.823 0.013 0.000 0.983 100 V HN 0.426 nan 8.190 nan 0.000 0.445 101 V N 8.312 128.210 119.914 -0.027 0.000 2.370 101 V HA 0.518 4.638 4.120 0.000 0.000 0.279 101 V C 0.000 176.000 176.094 -0.157 0.000 1.029 101 V CA -0.312 61.913 62.300 -0.125 0.000 0.870 101 V CB 1.177 32.950 31.823 -0.084 0.000 0.984 101 V HN 0.731 nan 8.190 nan 0.000 0.451 102 L N 4.527 125.592 121.223 -0.265 0.000 2.309 102 L HA 0.653 4.994 4.340 0.000 0.000 0.261 102 L C -1.371 175.233 176.870 -0.444 0.000 1.021 102 L CA -0.882 53.838 54.840 -0.201 0.000 0.823 102 L CB 2.339 44.370 42.059 -0.047 0.000 1.366 102 L HN 0.468 nan 8.230 nan 0.000 0.423 103 Y N -0.895 119.430 120.300 0.041 0.000 2.364 103 Y HA 0.348 4.899 4.550 0.000 0.000 0.340 103 Y C 1.076 176.997 175.900 0.036 0.000 0.975 103 Y CA -0.606 57.520 58.100 0.042 0.000 1.089 103 Y CB 1.917 40.406 38.460 0.047 0.000 1.192 103 Y HN 0.683 nan 8.280 nan 0.000 0.454 104 G N 0.752 109.636 108.800 0.140 0.000 2.509 104 G HA2 -0.194 3.766 3.960 0.000 0.000 0.218 104 G HA3 -0.194 3.766 3.960 0.000 0.000 0.218 104 G C 0.632 175.595 174.900 0.104 0.000 1.124 104 G CA 0.767 45.923 45.100 0.095 0.000 0.776 104 G HN 0.752 nan 8.290 nan 0.000 0.547 105 D N -0.217 120.260 120.400 0.129 0.000 2.358 105 D HA 0.383 5.024 4.640 0.000 0.000 0.224 105 D C 0.831 177.170 176.300 0.064 0.000 1.123 105 D CA -0.005 54.048 54.000 0.089 0.000 0.833 105 D CB 0.173 41.022 40.800 0.081 0.000 0.946 105 D HN 0.144 nan 8.370 nan 0.000 0.505 106 A N 1.785 124.657 122.820 0.087 0.000 2.978 106 A HA 0.439 4.760 4.320 0.000 0.000 0.341 106 A C -1.945 175.667 177.584 0.047 0.000 1.105 106 A CA -0.992 51.078 52.037 0.056 0.000 0.819 106 A CB 1.151 20.202 19.000 0.084 0.000 1.080 106 A HN -0.023 nan 8.150 nan 0.000 0.476 107 P HA 0.013 nan 4.420 nan 0.000 0.240 107 P C 0.906 178.191 177.300 -0.025 0.000 1.190 107 P CA 0.455 63.535 63.100 -0.034 0.000 0.781 107 P CB 0.248 31.829 31.700 -0.197 0.000 0.931 108 L N -0.941 120.288 121.223 0.009 0.000 2.558 108 L HA 0.159 4.499 4.340 0.000 0.000 0.225 108 L C 1.371 178.319 176.870 0.131 0.000 1.128 108 L CA -0.538 54.367 54.840 0.108 0.000 0.868 108 L CB -0.450 41.677 42.059 0.113 0.000 1.006 108 L HN -0.080 nan 8.230 nan 0.000 0.454 109 I N 1.448 122.074 120.570 0.093 0.000 2.752 109 I HA -0.084 4.087 4.170 0.000 0.000 0.289 109 I C 1.021 177.206 176.117 0.113 0.000 1.197 109 I CA 0.489 61.845 61.300 0.093 0.000 1.432 109 I CB 0.706 38.758 38.000 0.086 0.000 1.359 109 I HN 0.128 nan 8.210 nan 0.000 0.571 110 T N 3.758 118.375 114.554 0.105 0.000 2.928 110 T HA 0.259 4.609 4.350 0.000 0.000 0.284 110 T C 0.958 175.705 174.700 0.079 0.000 1.008 110 T CA -0.782 61.381 62.100 0.105 0.000 1.057 110 T CB 1.526 70.454 68.868 0.101 0.000 1.018 110 T HN 0.731 nan 8.240 nan 0.000 0.493 111 K N 0.657 121.101 120.400 0.074 0.000 2.103 111 K HA -0.201 4.119 4.320 0.000 0.000 0.207 111 K C 1.606 178.232 176.600 0.043 0.000 1.048 111 K CA 1.780 58.099 56.287 0.054 0.000 0.930 111 K CB -0.137 32.392 32.500 0.049 0.000 0.716 111 K HN 0.702 nan 8.250 nan 0.000 0.444 112 E N -0.212 120.015 120.200 0.045 0.000 2.072 112 E HA -0.099 4.251 4.350 0.000 0.000 0.191 112 E C 1.945 178.566 176.600 0.035 0.000 0.985 112 E CA 1.747 58.168 56.400 0.036 0.000 0.801 112 E CB -0.295 29.427 29.700 0.036 0.000 0.750 112 E HN 0.271 nan 8.360 nan 0.000 0.452 113 T N 0.648 115.228 114.554 0.043 0.000 2.821 113 T HA -0.045 4.305 4.350 0.000 0.000 0.267 113 T C 1.758 176.481 174.700 0.038 0.000 1.046 113 T CA 0.772 62.896 62.100 0.040 0.000 1.139 113 T CB -0.156 68.739 68.868 0.045 0.000 0.871 113 T HN 0.063 nan 8.240 nan 0.000 0.454 114 L N 0.486 121.734 121.223 0.042 0.000 2.217 114 L HA 0.008 4.349 4.340 0.000 0.000 0.211 114 L C 2.624 179.512 176.870 0.031 0.000 1.107 114 L CA 1.082 55.946 54.840 0.040 0.000 0.783 114 L CB -0.441 41.644 42.059 0.042 0.000 0.919 114 L HN 0.304 nan 8.230 nan 0.000 0.442 115 E N 0.228 120.444 120.200 0.026 0.000 2.072 115 E HA -0.192 4.158 4.350 0.000 0.000 0.191 115 E C 2.132 178.744 176.600 0.019 0.000 0.985 115 E CA 0.886 57.297 56.400 0.019 0.000 0.801 115 E CB 0.107 29.817 29.700 0.016 0.000 0.750 115 E HN 0.367 nan 8.360 nan 0.000 0.452 116 K N 0.470 120.883 120.400 0.021 0.000 2.097 116 K HA -0.155 4.166 4.320 0.000 0.000 0.206 116 K C 2.212 178.825 176.600 0.022 0.000 1.049 116 K CA 0.629 56.928 56.287 0.020 0.000 0.933 116 K CB -0.128 32.384 32.500 0.020 0.000 0.717 116 K HN 0.051 nan 8.250 nan 0.000 0.442 117 L N 1.478 122.717 121.223 0.027 0.000 2.027 117 L HA -0.124 4.216 4.340 0.000 0.000 0.206 117 L C 1.969 178.858 176.870 0.031 0.000 1.074 117 L CA 1.475 56.334 54.840 0.032 0.000 0.745 117 L CB -0.226 41.858 42.059 0.041 0.000 0.898 117 L HN 0.088 nan 8.230 nan 0.000 0.433 118 I N -0.631 119.956 120.570 0.029 0.000 2.286 118 I HA -0.279 3.891 4.170 0.000 0.000 0.248 118 I C 2.473 178.602 176.117 0.020 0.000 1.115 118 I CA 1.505 62.821 61.300 0.026 0.000 1.392 118 I CB -0.288 37.724 38.000 0.020 0.000 1.065 118 I HN 0.395 nan 8.210 nan 0.000 0.418 119 E N 0.901 121.112 120.200 0.017 0.000 2.204 119 E HA -0.169 4.182 4.350 0.000 0.000 0.194 119 E C 2.151 178.759 176.600 0.014 0.000 0.989 119 E CA 0.972 57.380 56.400 0.014 0.000 0.824 119 E CB 0.041 29.748 29.700 0.012 0.000 0.756 119 E HN 0.496 nan 8.360 nan 0.000 0.477 120 A N 0.903 123.733 122.820 0.016 0.000 2.169 120 A HA -0.027 4.293 4.320 0.000 0.000 0.212 120 A C 1.147 178.741 177.584 0.017 0.000 1.153 120 A CA 0.025 52.071 52.037 0.015 0.000 0.756 120 A CB -0.119 18.891 19.000 0.016 0.000 0.813 120 A HN -0.007 nan 8.150 nan 0.000 0.471 121 K N 2.022 122.434 120.400 0.021 0.000 2.402 121 K HA 0.138 4.459 4.320 0.000 0.000 0.285 121 K C -2.474 174.138 176.600 0.021 0.000 1.054 121 K CA -1.352 54.949 56.287 0.024 0.000 1.001 121 K CB 0.475 32.992 32.500 0.028 0.000 0.946 121 K HN 0.168 nan 8.250 nan 0.000 0.473 122 P HA 0.060 nan 4.420 nan 0.000 0.277 122 P C -1.088 176.228 177.300 0.027 0.000 1.240 122 P CA -0.419 62.694 63.100 0.023 0.000 0.798 122 P CB 0.522 32.236 31.700 0.024 0.000 0.979 123 E N 1.322 121.534 120.200 0.021 0.000 2.452 123 E HA -0.049 4.301 4.350 0.000 0.000 0.261 123 E C 0.006 176.622 176.600 0.027 0.000 0.987 123 E CA -0.391 56.020 56.400 0.017 0.000 0.926 123 E CB -0.560 29.147 29.700 0.011 0.000 0.934 123 E HN 0.262 nan 8.360 nan 0.000 0.452 124 N N 0.900 119.609 118.700 0.015 0.000 2.713 124 N HA -0.163 4.577 4.740 0.000 0.000 0.251 124 N C -0.058 175.526 175.510 0.124 0.000 1.117 124 N CA 1.455 54.515 53.050 0.018 0.000 0.770 124 N CB -1.345 37.150 38.487 0.014 0.000 1.137 124 N HN 0.742 nan 8.380 nan 0.000 0.566 125 G N -0.680 108.192 108.800 0.120 0.000 3.175 125 G HA2 0.840 4.800 3.960 0.000 0.000 0.255 125 G HA3 0.840 4.800 3.960 0.000 0.000 0.255 125 G C -0.492 174.486 174.900 0.131 0.000 1.352 125 G CA -0.633 44.563 45.100 0.161 0.000 1.037 125 G HN 0.105 nan 8.290 nan 0.000 0.556 126 I N 0.173 120.781 120.570 0.064 0.000 2.608 126 I HA 0.572 4.742 4.170 0.000 0.000 0.295 126 I C -0.030 176.097 176.117 0.017 0.000 1.049 126 I CA -0.983 60.331 61.300 0.023 0.000 1.063 126 I CB 2.436 40.417 38.000 -0.033 0.000 1.248 126 I HN 0.539 nan 8.210 nan 0.000 0.424 127 A N 6.142 128.979 122.820 0.028 0.000 2.271 127 A HA 0.734 5.054 4.320 0.000 0.000 0.317 127 A C -1.129 176.479 177.584 0.041 0.000 1.245 127 A CA -0.391 51.664 52.037 0.030 0.000 0.857 127 A CB 0.869 19.889 19.000 0.035 0.000 1.175 127 A HN 0.571 nan 8.150 nan 0.000 0.512 128 L N 3.264 124.505 121.223 0.030 0.000 2.313 128 L HA 0.588 4.928 4.340 0.000 0.000 0.283 128 L C -0.743 176.148 176.870 0.036 0.000 1.013 128 L CA -0.691 54.172 54.840 0.039 0.000 0.816 128 L CB 1.482 43.555 42.059 0.022 0.000 1.236 128 L HN 0.648 nan 8.230 nan 0.000 0.419 129 L N 5.317 126.570 121.223 0.050 0.000 2.361 129 L HA 0.521 4.861 4.340 0.000 0.000 0.278 129 L C 0.274 177.155 176.870 0.019 0.000 1.113 129 L CA 0.579 55.441 54.840 0.038 0.000 0.849 129 L CB 0.711 42.802 42.059 0.053 0.000 1.155 129 L HN 0.892 nan 8.230 nan 0.000 0.452 130 T N 2.098 116.653 114.554 0.002 0.000 2.927 130 T HA 0.789 5.140 4.350 0.000 0.000 0.286 130 T C -0.659 174.020 174.700 -0.034 0.000 1.040 130 T CA -0.826 61.263 62.100 -0.018 0.000 1.010 130 T CB 1.750 70.608 68.868 -0.015 0.000 1.177 130 T HN 0.530 nan 8.240 nan 0.000 0.546 131 V N 0.601 120.480 119.914 -0.058 0.000 2.891 131 V HA 0.483 4.603 4.120 0.000 0.000 0.304 131 V C -1.602 174.446 176.094 -0.077 0.000 1.171 131 V CA -1.043 61.213 62.300 -0.072 0.000 0.943 131 V CB 2.171 33.931 31.823 -0.105 0.000 1.037 131 V HN 1.069 nan 8.190 nan 0.000 0.427 132 N N 6.138 124.803 118.700 -0.058 0.000 2.422 132 N HA 0.624 5.364 4.740 0.000 0.000 0.264 132 N C -0.979 174.495 175.510 -0.060 0.000 1.063 132 N CA -0.329 52.691 53.050 -0.049 0.000 0.959 132 N CB 1.079 39.549 38.487 -0.030 0.000 1.087 132 N HN 0.519 nan 8.380 nan 0.000 0.483 133 L N 1.230 122.416 121.223 -0.062 0.000 2.334 133 L HA 0.327 4.667 4.340 0.000 0.000 0.273 133 L C 0.741 177.598 176.870 -0.022 0.000 1.013 133 L CA -0.654 54.153 54.840 -0.056 0.000 0.816 133 L CB 1.716 43.725 42.059 -0.083 0.000 1.278 133 L HN 0.471 nan 8.230 nan 0.000 0.431 134 D N 0.429 120.821 120.400 -0.013 0.000 2.149 134 D HA -0.112 4.528 4.640 0.000 0.000 0.201 134 D C 0.516 176.822 176.300 0.010 0.000 0.972 134 D CA 1.238 55.238 54.000 -0.001 0.000 0.835 134 D CB 0.302 41.102 40.800 0.000 0.000 0.966 134 D HN 0.346 nan 8.370 nan 0.000 0.476 135 N N -0.328 118.384 118.700 0.021 0.000 2.706 135 N HA 0.180 4.920 4.740 0.000 0.000 0.240 135 N C -2.381 173.176 175.510 0.078 0.000 1.039 135 N CA -1.733 51.342 53.050 0.040 0.000 0.888 135 N CB 1.477 39.988 38.487 0.040 0.000 1.128 135 N HN -0.068 nan 8.380 nan 0.000 0.512 136 P HA 0.101 nan 4.420 nan 0.000 0.256 136 P C -0.465 176.951 177.300 0.194 0.000 1.384 136 P CA -0.094 63.093 63.100 0.145 0.000 0.879 136 P CB -0.246 31.498 31.700 0.073 0.000 1.403 137 T N 0.624 115.249 114.554 0.117 0.000 2.853 137 T HA 0.354 4.705 4.350 0.000 0.000 0.298 137 T C 1.480 176.140 174.700 -0.067 0.000 0.978 137 T CA 1.334 63.452 62.100 0.030 0.000 1.152 137 T CB 0.229 69.100 68.868 0.005 0.000 0.914 137 T HN 0.365 nan 8.240 nan 0.000 0.539 138 G N 2.631 111.346 108.800 -0.142 0.000 2.232 138 G HA2 -0.201 3.759 3.960 0.000 0.000 0.226 138 G HA3 -0.201 3.759 3.960 0.000 0.000 0.226 138 G C -0.149 174.501 174.900 -0.416 0.000 0.996 138 G CA -0.522 44.379 45.100 -0.332 0.000 0.626 138 G HN 0.673 nan 8.290 nan 0.000 0.509 139 Y N 0.847 121.124 120.300 -0.038 0.000 2.419 139 Y HA 0.573 5.123 4.550 0.000 0.000 0.328 139 Y C 1.218 177.089 175.900 -0.048 0.000 1.162 139 Y CA -0.319 57.755 58.100 -0.045 0.000 1.174 139 Y CB 1.427 39.863 38.460 -0.040 0.000 1.228 139 Y HN 0.273 nan 8.280 nan 0.000 0.473 140 G N 2.817 111.683 108.800 0.110 0.000 2.361 140 G HA2 0.245 4.206 3.960 0.000 0.000 0.260 140 G HA3 0.245 4.206 3.960 0.000 0.000 0.260 140 G C -0.295 174.626 174.900 0.035 0.000 1.261 140 G CA -0.767 44.352 45.100 0.032 0.000 0.897 140 G HN 0.345 nan 8.290 nan 0.000 0.499 141 R N 1.949 122.458 120.500 0.015 0.000 2.390 141 R HA 0.193 4.533 4.340 0.000 0.000 0.291 141 R C 0.229 176.527 176.300 -0.004 0.000 1.070 141 R CA -0.851 55.255 56.100 0.009 0.000 1.014 141 R CB 1.095 31.397 30.300 0.004 0.000 1.007 141 R HN 0.301 nan 8.270 nan 0.000 0.466 142 I N 4.757 125.323 120.570 -0.006 0.000 2.352 142 I HA 0.153 4.324 4.170 0.000 0.000 0.290 142 I C 0.448 176.558 176.117 -0.013 0.000 1.036 142 I CA -0.553 60.740 61.300 -0.011 0.000 1.336 142 I CB 0.474 38.467 38.000 -0.011 0.000 1.407 142 I HN 0.260 nan 8.210 nan 0.000 0.497 143 I N 7.360 127.920 120.570 -0.016 0.000 2.321 143 I HA 0.346 4.517 4.170 0.000 0.000 0.291 143 I C 0.447 176.554 176.117 -0.017 0.000 0.998 143 I CA -0.547 60.743 61.300 -0.016 0.000 1.227 143 I CB 0.738 38.727 38.000 -0.019 0.000 1.368 143 I HN 0.405 nan 8.210 nan 0.000 0.466 144 R N 4.822 125.314 120.500 -0.014 0.000 2.310 144 R HA 0.454 4.794 4.340 0.000 0.000 0.324 144 R C -0.500 175.793 176.300 -0.012 0.000 0.955 144 R CA -0.545 55.548 56.100 -0.013 0.000 0.830 144 R CB 1.784 32.077 30.300 -0.010 0.000 1.154 144 R HN 0.520 nan 8.270 nan 0.000 0.458 145 E N 2.623 122.815 120.200 -0.012 0.000 2.134 145 E HA 0.114 4.464 4.350 0.000 0.000 0.278 145 E C -0.116 176.479 176.600 -0.009 0.000 0.959 145 E CA -0.303 56.090 56.400 -0.011 0.000 0.783 145 E CB 0.990 30.683 29.700 -0.012 0.000 1.095 145 E HN 0.626 nan 8.360 nan 0.000 0.399 146 N N 2.705 121.401 118.700 -0.007 0.000 3.600 146 N HA -0.340 4.400 4.740 0.000 0.000 0.201 146 N C 0.917 176.425 175.510 -0.005 0.000 0.245 146 N CA 1.733 54.780 53.050 -0.005 0.000 2.387 146 N CB -0.855 37.629 38.487 -0.004 0.000 1.323 146 N HN 0.551 nan 8.380 nan 0.000 0.383 147 G N -0.370 108.428 108.800 -0.005 0.000 4.385 147 G HA2 0.446 4.406 3.960 0.000 0.000 0.283 147 G HA3 0.446 4.406 3.960 0.000 0.000 0.283 147 G C -0.929 173.968 174.900 -0.005 0.000 1.020 147 G CA -0.116 44.982 45.100 -0.004 0.000 0.790 147 G HN 0.503 nan 8.290 nan 0.000 0.420 148 N N -0.482 118.213 118.700 -0.009 0.000 2.240 148 N HA 0.502 5.242 4.740 0.000 0.000 0.302 148 N C -0.843 174.656 175.510 -0.018 0.000 1.106 148 N CA -0.842 52.201 53.050 -0.012 0.000 0.778 148 N CB 3.048 41.527 38.487 -0.013 0.000 1.431 148 N HN -0.160 nan 8.380 nan 0.000 0.479 149 V N 2.330 122.230 119.914 -0.023 0.000 2.397 149 V HA -0.000 4.120 4.120 0.000 0.000 0.262 149 V C 1.359 177.429 176.094 -0.040 0.000 1.047 149 V CA -0.080 62.202 62.300 -0.029 0.000 1.003 149 V CB 0.354 32.159 31.823 -0.030 0.000 1.037 149 V HN 0.696 nan 8.190 nan 0.000 0.480 150 V N 2.104 121.996 119.914 -0.036 0.000 3.354 150 V HA 0.669 4.790 4.120 0.000 0.000 0.258 150 V C 0.732 176.798 176.094 -0.047 0.000 1.159 150 V CA 0.833 63.108 62.300 -0.041 0.000 1.125 150 V CB -0.232 31.572 31.823 -0.031 0.000 0.774 150 V HN 0.893 nan 8.190 nan 0.000 0.464 151 A N -0.274 122.521 122.820 -0.042 0.000 2.605 151 A HA 0.790 5.111 4.320 0.000 0.000 0.294 151 A C -1.313 176.249 177.584 -0.037 0.000 1.062 151 A CA -0.562 51.449 52.037 -0.043 0.000 0.682 151 A CB 1.226 20.204 19.000 -0.037 0.000 1.278 151 A HN 0.236 nan 8.150 nan 0.000 0.410 152 I N 1.899 122.445 120.570 -0.040 0.000 2.405 152 I HA 0.333 4.503 4.170 0.000 0.000 0.280 152 I C -0.737 175.355 176.117 -0.040 0.000 1.027 152 I CA -0.722 60.558 61.300 -0.034 0.000 1.161 152 I CB 1.659 39.639 38.000 -0.032 0.000 1.300 152 I HN 0.333 nan 8.210 nan 0.000 0.463 153 V N 6.260 126.154 119.914 -0.032 0.000 2.385 153 V HA 0.222 4.342 4.120 0.000 0.000 0.269 153 V C 0.590 176.662 176.094 -0.037 0.000 1.043 153 V CA -0.730 61.548 62.300 -0.036 0.000 0.906 153 V CB 0.670 32.476 31.823 -0.027 0.000 0.995 153 V HN 0.560 nan 8.190 nan 0.000 0.467 154 E N 2.858 123.024 120.200 -0.056 0.000 2.410 154 E HA 0.017 4.367 4.350 0.000 0.000 0.255 154 E C 0.997 177.567 176.600 -0.050 0.000 1.194 154 E CA -0.200 56.162 56.400 -0.064 0.000 0.955 154 E CB 0.690 30.331 29.700 -0.100 0.000 0.988 154 E HN 0.672 nan 8.360 nan 0.000 0.461 155 Q N 1.720 121.487 119.800 -0.056 0.000 2.062 155 Q HA -0.248 4.092 4.340 0.000 0.000 0.209 155 Q C 1.288 177.262 176.000 -0.043 0.000 0.996 155 Q CA 2.610 58.385 55.803 -0.048 0.000 0.859 155 Q CB -0.086 28.611 28.738 -0.069 0.000 0.920 155 Q HN 0.372 nan 8.270 nan 0.000 0.415 156 K N -0.366 120.005 120.400 -0.049 0.000 2.418 156 K HA 0.064 4.384 4.320 0.000 0.000 0.195 156 K C 0.896 177.475 176.600 -0.034 0.000 1.035 156 K CA 1.135 57.399 56.287 -0.040 0.000 1.003 156 K CB 0.123 32.599 32.500 -0.041 0.000 0.793 156 K HN 0.200 nan 8.250 nan 0.000 0.494 157 D N 1.053 121.430 120.400 -0.037 0.000 2.327 157 D HA 0.113 4.754 4.640 0.000 0.000 0.205 157 D C 0.251 176.535 176.300 -0.026 0.000 0.989 157 D CA 0.353 54.334 54.000 -0.032 0.000 0.873 157 D CB 0.017 40.794 40.800 -0.037 0.000 0.955 157 D HN 0.273 nan 8.370 nan 0.000 0.515 158 A N 1.772 124.577 122.820 -0.025 0.000 2.477 158 A HA 0.195 4.516 4.320 0.000 0.000 0.246 158 A C 0.850 178.424 177.584 -0.016 0.000 1.078 158 A CA -0.457 51.568 52.037 -0.020 0.000 0.770 158 A CB -0.015 18.974 19.000 -0.017 0.000 1.011 158 A HN 0.285 nan 8.150 nan 0.000 0.494 159 N N 1.553 120.244 118.700 -0.014 0.000 2.322 159 N HA 0.335 5.076 4.740 0.000 0.000 0.270 159 N C 1.175 176.680 175.510 -0.010 0.000 1.286 159 N CA -0.083 52.960 53.050 -0.012 0.000 0.948 159 N CB 0.727 39.208 38.487 -0.011 0.000 1.164 159 N HN 0.494 nan 8.380 nan 0.000 0.551 160 A N 0.189 123.003 122.820 -0.008 0.000 1.883 160 A HA -0.279 4.041 4.320 0.000 0.000 0.217 160 A C 2.078 179.659 177.584 -0.006 0.000 1.186 160 A CA 2.009 54.042 52.037 -0.007 0.000 0.624 160 A CB -1.120 17.877 19.000 -0.006 0.000 0.822 160 A HN 0.933 nan 8.150 nan 0.000 0.444 161 E N -0.482 119.714 120.200 -0.006 0.000 2.208 161 E HA -0.211 4.139 4.350 0.000 0.000 0.193 161 E C 1.841 178.438 176.600 -0.005 0.000 0.988 161 E CA 1.138 57.535 56.400 -0.005 0.000 0.828 161 E CB -0.347 29.350 29.700 -0.005 0.000 0.763 161 E HN 0.764 nan 8.360 nan 0.000 0.478 162 Q N 0.459 120.255 119.800 -0.006 0.000 2.230 162 Q HA 0.022 4.363 4.340 0.000 0.000 0.202 162 Q C 2.280 178.278 176.000 -0.004 0.000 0.963 162 Q CA 0.814 56.614 55.803 -0.006 0.000 0.866 162 Q CB 0.052 28.784 28.738 -0.010 0.000 0.931 162 Q HN 0.361 nan 8.270 nan 0.000 0.452 163 L N 0.748 121.969 121.223 -0.003 0.000 2.275 163 L HA -0.139 4.202 4.340 0.000 0.000 0.215 163 L C 1.480 178.352 176.870 0.004 0.000 1.119 163 L CA 0.446 55.286 54.840 0.000 0.000 0.790 163 L CB -0.228 41.830 42.059 -0.003 0.000 0.919 163 L HN 0.211 nan 8.230 nan 0.000 0.443 164 N N 0.194 118.895 118.700 0.001 0.000 2.494 164 N HA 0.069 4.810 4.740 0.000 0.000 0.182 164 N C 0.615 176.126 175.510 0.002 0.000 1.076 164 N CA 0.437 53.488 53.050 0.002 0.000 0.908 164 N CB -0.010 38.477 38.487 0.000 0.000 0.967 164 N HN 0.264 nan 8.380 nan 0.000 0.449 165 I N 1.656 122.227 120.570 0.002 0.000 2.668 165 I HA -0.073 4.097 4.170 0.000 0.000 0.285 165 I C 1.349 177.468 176.117 0.003 0.000 1.168 165 I CA 0.109 61.409 61.300 0.000 0.000 1.424 165 I CB 0.730 38.730 38.000 -0.001 0.000 1.377 165 I HN -0.189 nan 8.210 nan 0.000 0.560 166 K N 4.518 124.917 120.400 -0.001 0.000 2.284 166 K HA 0.058 4.379 4.320 0.000 0.000 0.198 166 K C 0.559 177.151 176.600 -0.015 0.000 1.048 166 K CA 0.377 56.661 56.287 -0.005 0.000 0.987 166 K CB -0.044 32.451 32.500 -0.008 0.000 0.800 166 K HN 0.569 nan 8.250 nan 0.000 0.486 167 E N 2.026 122.217 120.200 -0.015 0.000 2.324 167 E HA 0.138 4.489 4.350 0.000 0.000 0.271 167 E C -0.542 176.046 176.600 -0.020 0.000 1.028 167 E CA -0.314 56.072 56.400 -0.022 0.000 0.890 167 E CB 0.621 30.311 29.700 -0.016 0.000 1.004 167 E HN -0.064 nan 8.360 nan 0.000 0.431 168 V N 1.636 121.527 119.914 -0.038 0.000 3.141 168 V HA 0.487 4.607 4.120 0.000 0.000 0.312 168 V C -0.531 175.540 176.094 -0.038 0.000 1.157 168 V CA -1.326 60.956 62.300 -0.029 0.000 1.041 168 V CB 1.801 33.599 31.823 -0.040 0.000 1.071 168 V HN 0.693 nan 8.190 nan 0.000 0.441 169 N N 1.056 119.750 118.700 -0.009 0.000 2.514 169 N HA 0.382 5.122 4.740 0.000 0.000 0.277 169 N C 0.901 176.399 175.510 -0.021 0.000 1.126 169 N CA 0.533 53.582 53.050 -0.001 0.000 0.978 169 N CB 1.730 40.229 38.487 0.020 0.000 1.106 169 N HN 1.045 nan 8.380 nan 0.000 0.461 170 T N 0.056 114.599 114.554 -0.018 0.000 3.014 170 T HA 0.264 4.614 4.350 0.000 0.000 0.250 170 T C 1.298 175.983 174.700 -0.025 0.000 1.060 170 T CA 0.493 62.568 62.100 -0.043 0.000 1.040 170 T CB -0.227 68.624 68.868 -0.028 0.000 0.971 170 T HN 0.708 nan 8.240 nan 0.000 0.497 171 G N 0.855 109.695 108.800 0.066 0.000 2.225 171 G HA2 -0.234 3.727 3.960 0.000 0.000 0.254 171 G HA3 -0.234 3.727 3.960 0.000 0.000 0.254 171 G C 0.085 175.206 174.900 0.368 0.000 0.988 171 G CA -0.010 45.197 45.100 0.180 0.000 0.625 171 G HN 0.714 nan 8.290 nan 0.000 0.527 172 V N 2.747 122.841 119.914 0.300 0.000 2.488 172 V HA 0.728 4.849 4.120 0.000 0.000 0.277 172 V C 0.653 176.860 176.094 0.188 0.000 1.046 172 V CA 0.986 63.458 62.300 0.288 0.000 0.986 172 V CB 1.056 33.011 31.823 0.220 0.000 0.989 172 V HN 0.713 nan 8.190 nan 0.000 0.475 173 M N 4.504 124.218 119.600 0.190 0.000 2.644 173 M HA 0.851 5.331 4.480 0.000 0.000 0.273 173 M C -2.007 174.414 176.300 0.200 0.000 1.253 173 M CA -0.836 54.568 55.300 0.175 0.000 0.852 173 M CB 2.482 35.195 32.600 0.188 0.000 1.708 173 M HN 0.148 nan 8.290 nan 0.000 0.471 174 V N 0.841 120.849 119.914 0.157 0.000 2.588 174 V HA 0.858 4.979 4.120 0.000 0.000 0.304 174 V C -0.704 175.453 176.094 0.106 0.000 1.042 174 V CA -0.277 62.120 62.300 0.162 0.000 0.877 174 V CB 1.719 33.598 31.823 0.092 0.000 0.996 174 V HN 0.953 nan 8.190 nan 0.000 0.425 175 S N 1.943 117.724 115.700 0.135 0.000 2.625 175 S HA 0.418 4.888 4.470 0.000 0.000 0.271 175 S C -1.654 172.973 174.600 0.044 0.000 1.161 175 S CA -0.781 57.387 58.200 -0.053 0.000 0.820 175 S CB 1.733 64.680 63.200 -0.421 0.000 1.137 175 S HN 1.008 nan 8.310 nan 0.000 0.470 176 D N 0.804 121.191 120.400 -0.021 0.000 2.357 176 D HA 0.193 4.833 4.640 0.000 0.000 0.242 176 D C 1.328 177.669 176.300 0.069 0.000 1.153 176 D CA 0.049 54.054 54.000 0.010 0.000 0.918 176 D CB 0.869 41.651 40.800 -0.030 0.000 1.181 176 D HN 0.604 nan 8.370 nan 0.000 0.435 177 G N 0.711 109.557 108.800 0.077 0.000 2.422 177 G HA2 -0.200 3.760 3.960 0.000 0.000 0.218 177 G HA3 -0.200 3.760 3.960 0.000 0.000 0.218 177 G C 1.541 176.557 174.900 0.193 0.000 1.146 177 G CA 1.146 46.346 45.100 0.168 0.000 0.769 177 G HN 0.662 nan 8.290 nan 0.000 0.547 178 A N 0.641 123.487 122.820 0.045 0.000 1.930 178 A HA 0.054 4.374 4.320 0.000 0.000 0.217 178 A C 2.691 180.175 177.584 -0.166 0.000 1.175 178 A CA 2.165 54.180 52.037 -0.036 0.000 0.627 178 A CB -0.520 18.438 19.000 -0.070 0.000 0.815 178 A HN 0.300 nan 8.150 nan 0.000 0.443 179 S N -0.992 114.529 115.700 -0.299 0.000 2.383 179 S HA -0.064 4.406 4.470 0.000 0.000 0.227 179 S C 1.596 175.868 174.600 -0.547 0.000 1.026 179 S CA 1.199 58.942 58.200 -0.762 0.000 0.981 179 S CB -0.471 62.178 63.200 -0.919 0.000 0.818 179 S HN 0.517 nan 8.310 nan 0.000 0.472 180 F N 2.036 121.928 119.950 -0.096 0.000 2.102 180 F HA -0.055 4.472 4.527 0.000 0.000 0.298 180 F C 2.227 178.097 175.800 0.116 0.000 1.105 180 F CA 1.137 59.222 58.000 0.141 0.000 1.239 180 F CB -0.388 38.771 39.000 0.266 0.000 0.991 180 F HN 0.090 nan 8.300 nan 0.000 0.474 181 K N 0.064 120.619 120.400 0.258 0.000 2.063 181 K HA -0.249 4.071 4.320 0.000 0.000 0.208 181 K C 2.131 178.750 176.600 0.031 0.000 1.048 181 K CA 1.763 58.109 56.287 0.099 0.000 0.928 181 K CB -0.258 32.261 32.500 0.032 0.000 0.713 181 K HN 0.178 nan 8.250 nan 0.000 0.442 182 K N 0.127 120.481 120.400 -0.077 0.000 2.002 182 K HA -0.166 4.155 4.320 0.000 0.000 0.209 182 K C 1.815 178.438 176.600 0.037 0.000 1.048 182 K CA 1.425 57.639 56.287 -0.122 0.000 0.930 182 K CB -0.043 32.242 32.500 -0.359 0.000 0.714 182 K HN 0.172 nan 8.250 nan 0.000 0.438 183 W N 1.221 122.560 121.300 0.065 0.000 2.453 183 W HA 0.024 4.685 4.660 0.000 0.000 0.289 183 W C 1.924 178.503 176.519 0.101 0.000 1.215 183 W CA 0.346 57.729 57.345 0.063 0.000 1.297 183 W CB -0.735 28.741 29.460 0.027 0.000 1.113 183 W HN 0.115 nan 8.180 nan 0.000 0.551 184 L N 0.436 121.870 121.223 0.351 0.000 2.083 184 L HA -0.167 4.173 4.340 0.000 0.000 0.209 184 L C 2.556 179.522 176.870 0.161 0.000 1.083 184 L CA 1.479 56.474 54.840 0.259 0.000 0.752 184 L CB -1.082 41.116 42.059 0.232 0.000 0.899 184 L HN -0.145 nan 8.230 nan 0.000 0.433 185 A N -0.195 122.701 122.820 0.126 0.000 2.121 185 A HA -0.118 4.203 4.320 0.000 0.000 0.218 185 A C 2.193 179.841 177.584 0.106 0.000 1.154 185 A CA 1.074 53.158 52.037 0.077 0.000 0.679 185 A CB -0.336 18.692 19.000 0.046 0.000 0.795 185 A HN 0.369 nan 8.150 nan 0.000 0.458 186 R N -0.958 119.637 120.500 0.158 0.000 2.362 186 R HA 0.211 4.552 4.340 0.000 0.000 0.227 186 R C -0.459 175.944 176.300 0.172 0.000 0.905 186 R CA -0.158 56.037 56.100 0.159 0.000 1.067 186 R CB 0.514 30.923 30.300 0.182 0.000 1.078 186 R HN 0.274 nan 8.270 nan 0.000 0.516 187 V N 1.137 121.173 119.914 0.205 0.000 2.555 187 V HA 0.277 4.397 4.120 0.000 0.000 0.286 187 V C 0.955 177.257 176.094 0.347 0.000 1.044 187 V CA -0.211 62.239 62.300 0.250 0.000 1.026 187 V CB 1.138 33.134 31.823 0.289 0.000 0.981 187 V HN 0.299 nan 8.190 nan 0.000 0.480 188 G N 2.807 111.763 108.800 0.260 0.000 2.705 188 G HA2 0.434 4.395 3.960 0.000 0.000 0.299 188 G HA3 0.434 4.395 3.960 0.000 0.000 0.299 188 G C 0.222 175.059 174.900 -0.105 0.000 1.315 188 G CA -0.428 44.785 45.100 0.189 0.000 1.045 188 G HN 0.727 nan 8.290 nan 0.000 0.517 189 N N -0.786 117.691 118.700 -0.372 0.000 2.365 189 N HA 0.011 4.752 4.740 0.000 0.000 0.257 189 N C -0.305 175.074 175.510 -0.220 0.000 1.287 189 N CA -0.557 52.170 53.050 -0.539 0.000 0.882 189 N CB 0.301 38.121 38.487 -1.112 0.000 1.250 189 N HN 0.257 nan 8.380 nan 0.000 0.507 190 N N 1.754 120.393 118.700 -0.102 0.000 2.895 190 N HA 0.066 4.806 4.740 0.000 0.000 0.277 190 N C -1.102 174.397 175.510 -0.017 0.000 1.185 190 N CA -0.050 52.971 53.050 -0.048 0.000 1.106 190 N CB -0.566 37.907 38.487 -0.024 0.000 1.422 190 N HN 0.566 nan 8.380 nan 0.000 0.521 191 N N -0.808 117.886 118.700 -0.010 0.000 2.934 191 N HA 0.410 5.150 4.740 0.000 0.000 0.253 191 N C 0.288 175.811 175.510 0.021 0.000 1.466 191 N CA -0.661 52.403 53.050 0.022 0.000 0.858 191 N CB 0.211 38.748 38.487 0.083 0.000 1.459 191 N HN -0.081 nan 8.380 nan 0.000 0.532 192 A N -0.777 122.058 122.820 0.026 0.000 2.019 192 A HA -0.150 4.170 4.320 0.000 0.000 0.219 192 A C 1.504 179.105 177.584 0.027 0.000 1.164 192 A CA 1.552 53.599 52.037 0.017 0.000 0.644 192 A CB -0.707 18.298 19.000 0.008 0.000 0.805 192 A HN 0.661 nan 8.150 nan 0.000 0.449 193 Q N -1.728 118.111 119.800 0.066 0.000 2.402 193 Q HA 0.313 4.653 4.340 0.000 0.000 0.206 193 Q C 1.198 177.194 176.000 -0.008 0.000 0.919 193 Q CA 0.743 56.579 55.803 0.055 0.000 0.923 193 Q CB 0.075 28.895 28.738 0.137 0.000 1.048 193 Q HN 0.873 nan 8.270 nan 0.000 0.515 194 G N 0.708 109.490 108.800 -0.029 0.000 2.221 194 G HA2 -0.288 3.672 3.960 0.000 0.000 0.265 194 G HA3 -0.288 3.672 3.960 0.000 0.000 0.265 194 G C -0.417 174.359 174.900 -0.206 0.000 1.041 194 G CA 0.279 45.314 45.100 -0.108 0.000 0.807 194 G HN 0.296 nan 8.290 nan 0.000 0.502 195 E N -1.184 118.873 120.200 -0.237 0.000 2.244 195 E HA 0.504 4.855 4.350 0.000 0.000 0.266 195 E C -0.843 175.498 176.600 -0.432 0.000 0.914 195 E CA -1.057 55.123 56.400 -0.367 0.000 0.794 195 E CB 1.171 30.552 29.700 -0.531 0.000 1.210 195 E HN 0.248 nan 8.360 nan 0.000 0.414 196 Y N 1.191 121.387 120.300 -0.172 0.000 2.504 196 Y HA 0.159 4.709 4.550 0.000 0.000 0.351 196 Y C -0.501 175.360 175.900 -0.065 0.000 0.988 196 Y CA -0.313 57.762 58.100 -0.042 0.000 1.239 196 Y CB 0.027 38.505 38.460 0.029 0.000 1.128 196 Y HN 0.375 nan 8.280 nan 0.000 0.525 197 Y N 2.892 123.301 120.300 0.180 0.000 2.313 197 Y HA 0.103 4.653 4.550 0.000 0.000 0.332 197 Y C 1.036 177.040 175.900 0.173 0.000 1.071 197 Y CA -0.648 57.543 58.100 0.152 0.000 1.169 197 Y CB 1.213 39.728 38.460 0.091 0.000 1.192 197 Y HN 0.603 nan 8.280 nan 0.000 0.487 198 L N 2.045 123.473 121.223 0.342 0.000 2.191 198 L HA -0.165 4.175 4.340 0.000 0.000 0.212 198 L C 1.927 178.948 176.870 0.250 0.000 1.103 198 L CA 1.940 56.961 54.840 0.301 0.000 0.769 198 L CB -0.699 41.547 42.059 0.311 0.000 0.908 198 L HN 0.791 nan 8.230 nan 0.000 0.438 199 T N -0.542 114.157 114.554 0.241 0.000 2.737 199 T HA -0.206 4.144 4.350 0.000 0.000 0.269 199 T C 1.311 176.054 174.700 0.071 0.000 1.040 199 T CA 1.620 63.798 62.100 0.130 0.000 1.142 199 T CB -0.430 68.477 68.868 0.065 0.000 0.861 199 T HN 0.396 nan 8.240 nan 0.000 0.456 200 D N 0.618 121.081 120.400 0.104 0.000 2.351 200 D HA 0.012 4.652 4.640 0.000 0.000 0.216 200 D C 1.741 178.026 176.300 -0.024 0.000 0.968 200 D CA 0.213 54.242 54.000 0.047 0.000 0.899 200 D CB -0.357 40.504 40.800 0.103 0.000 0.907 200 D HN 0.220 nan 8.370 nan 0.000 0.514 201 L N 0.122 121.338 121.223 -0.011 0.000 2.191 201 L HA -0.144 4.197 4.340 0.000 0.000 0.212 201 L C 1.887 178.536 176.870 -0.368 0.000 1.103 201 L CA 0.830 55.573 54.840 -0.161 0.000 0.769 201 L CB -0.237 41.810 42.059 -0.019 0.000 0.908 201 L HN 0.019 nan 8.230 nan 0.000 0.438 202 I N -0.811 119.632 120.570 -0.213 0.000 2.252 202 I HA -0.235 3.935 4.170 0.000 0.000 0.245 202 I C 2.543 178.514 176.117 -0.243 0.000 1.102 202 I CA 1.474 62.641 61.300 -0.221 0.000 1.385 202 I CB -0.928 37.005 38.000 -0.112 0.000 1.064 202 I HN 0.183 nan 8.210 nan 0.000 0.414 203 A N 0.108 122.817 122.820 -0.184 0.000 1.902 203 A HA -0.138 4.182 4.320 0.000 0.000 0.217 203 A C 2.311 179.764 177.584 -0.217 0.000 1.181 203 A CA 1.464 53.408 52.037 -0.155 0.000 0.623 203 A CB -0.951 17.993 19.000 -0.093 0.000 0.818 203 A HN 0.397 nan 8.150 nan 0.000 0.443 204 L N -0.854 120.180 121.223 -0.316 0.000 2.141 204 L HA -0.152 4.189 4.340 0.000 0.000 0.209 204 L C 3.040 179.510 176.870 -0.667 0.000 1.094 204 L CA 0.889 55.482 54.840 -0.412 0.000 0.763 204 L CB -0.479 41.317 42.059 -0.438 0.000 0.908 204 L HN 0.436 nan 8.230 nan 0.000 0.437 205 A N 0.125 122.364 122.820 -0.969 0.000 1.898 205 A HA -0.183 4.138 4.320 0.000 0.000 0.216 205 A C 2.074 179.486 177.584 -0.286 0.000 1.181 205 A CA 1.592 53.105 52.037 -0.874 0.000 0.620 205 A CB -0.515 17.943 19.000 -0.903 0.000 0.819 205 A HN 0.421 nan 8.150 nan 0.000 0.442 206 N N -0.271 118.288 118.700 -0.236 0.000 2.309 206 N HA -0.149 4.591 4.740 0.000 0.000 0.182 206 N C 1.836 177.305 175.510 -0.067 0.000 1.018 206 N CA 1.246 54.228 53.050 -0.114 0.000 0.876 206 N CB -0.265 38.160 38.487 -0.102 0.000 0.972 206 N HN 0.650 nan 8.380 nan 0.000 0.434 207 Q N 0.325 120.077 119.800 -0.080 0.000 2.167 207 Q HA -0.095 4.245 4.340 0.000 0.000 0.202 207 Q C 0.353 176.370 176.000 0.028 0.000 0.970 207 Q CA 0.994 56.783 55.803 -0.023 0.000 0.855 207 Q CB 0.104 28.830 28.738 -0.020 0.000 0.911 207 Q HN 0.238 nan 8.270 nan 0.000 0.438 208 D N -0.216 120.222 120.400 0.063 0.000 2.325 208 D HA 0.030 4.670 4.640 0.000 0.000 0.225 208 D C -0.491 175.870 176.300 0.102 0.000 1.096 208 D CA 0.043 54.125 54.000 0.137 0.000 0.844 208 D CB -0.080 40.909 40.800 0.314 0.000 0.925 208 D HN 0.090 nan 8.370 nan 0.000 0.513 209 N N -0.527 118.205 118.700 0.053 0.000 2.727 209 N HA -0.186 4.554 4.740 0.000 0.000 0.249 209 N C -1.202 174.342 175.510 0.058 0.000 1.048 209 N CA 0.387 53.461 53.050 0.040 0.000 0.714 209 N CB -1.436 37.072 38.487 0.035 0.000 0.959 209 N HN 0.206 nan 8.380 nan 0.000 0.544 210 C N 0.116 119.460 119.300 0.073 0.000 2.376 210 C HA 0.448 4.908 4.460 0.000 0.000 0.335 210 C C 0.850 175.861 174.990 0.034 0.000 1.229 210 C CA -0.905 58.173 59.018 0.099 0.000 1.867 210 C CB 1.589 29.479 27.740 0.250 0.000 2.319 210 C HN 0.395 nan 8.230 nan 0.000 0.515 211 Q N 1.294 121.116 119.800 0.038 0.000 2.288 211 Q HA 0.524 4.864 4.340 0.000 0.000 0.254 211 Q C -1.232 174.766 176.000 -0.003 0.000 0.932 211 Q CA -0.038 55.771 55.803 0.010 0.000 0.902 211 Q CB 0.929 29.677 28.738 0.016 0.000 1.203 211 Q HN 0.669 nan 8.270 nan 0.000 0.415 212 V N 4.625 124.522 119.914 -0.027 0.000 2.409 212 V HA 0.362 4.482 4.120 0.000 0.000 0.291 212 V C -0.395 175.689 176.094 -0.017 0.000 1.020 212 V CA -0.711 61.569 62.300 -0.033 0.000 0.848 212 V CB 1.600 33.383 31.823 -0.067 0.000 0.990 212 V HN 0.545 nan 8.190 nan 0.000 0.430 213 V N 3.886 123.797 119.914 -0.005 0.000 2.483 213 V HA 0.761 4.881 4.120 0.000 0.000 0.295 213 V C 0.514 176.609 176.094 0.002 0.000 1.035 213 V CA -0.560 61.740 62.300 -0.000 0.000 0.896 213 V CB 1.869 33.696 31.823 0.006 0.000 0.986 213 V HN 0.977 nan 8.190 nan 0.000 0.447 214 A N 4.534 127.354 122.820 0.000 0.000 2.309 214 A HA 0.756 5.076 4.320 0.000 0.000 0.298 214 A C -0.594 176.994 177.584 0.006 0.000 1.165 214 A CA -0.382 51.656 52.037 0.002 0.000 0.821 214 A CB 0.909 19.908 19.000 -0.003 0.000 1.102 214 A HN 0.692 nan 8.150 nan 0.000 0.500 215 V N 3.822 123.742 119.914 0.010 0.000 2.407 215 V HA 0.243 4.363 4.120 0.000 0.000 0.291 215 V C -0.177 175.922 176.094 0.009 0.000 1.018 215 V CA -0.477 61.830 62.300 0.011 0.000 0.842 215 V CB 1.332 33.166 31.823 0.018 0.000 0.996 215 V HN 1.036 nan 8.190 nan 0.000 0.426 216 Q N 2.795 122.598 119.800 0.004 0.000 2.288 216 Q HA 0.655 4.995 4.340 0.000 0.000 0.254 216 Q C 0.274 176.275 176.000 0.003 0.000 0.932 216 Q CA -0.225 55.577 55.803 -0.001 0.000 0.902 216 Q CB 1.484 30.220 28.738 -0.004 0.000 1.203 216 Q HN 0.910 nan 8.270 nan 0.000 0.415 217 A N 1.409 124.228 122.820 -0.003 0.000 2.371 217 A HA 0.172 4.492 4.320 0.000 0.000 0.257 217 A C 1.179 178.765 177.584 0.002 0.000 1.089 217 A CA 0.057 52.095 52.037 0.002 0.000 0.794 217 A CB 0.505 19.500 19.000 -0.009 0.000 1.029 217 A HN 0.927 nan 8.150 nan 0.000 0.488 218 T N -0.369 114.194 114.554 0.015 0.000 2.809 218 T HA -0.035 4.315 4.350 0.000 0.000 0.260 218 T C 0.451 175.164 174.700 0.022 0.000 1.039 218 T CA 1.531 63.643 62.100 0.021 0.000 1.141 218 T CB -0.153 68.735 68.868 0.032 0.000 0.869 218 T HN 0.593 nan 8.240 nan 0.000 0.437 219 D N 0.120 120.536 120.400 0.027 0.000 2.192 219 D HA 0.381 5.022 4.640 0.000 0.000 0.246 219 D C 1.215 177.489 176.300 -0.044 0.000 1.042 219 D CA -0.422 53.590 54.000 0.019 0.000 0.847 219 D CB 2.492 43.344 40.800 0.087 0.000 1.186 219 D HN 0.026 nan 8.370 nan 0.000 0.461 220 V N 3.276 123.147 119.914 -0.070 0.000 2.427 220 V HA -0.204 3.916 4.120 0.000 0.000 0.248 220 V C 2.380 178.370 176.094 -0.173 0.000 1.051 220 V CA 1.128 63.363 62.300 -0.109 0.000 1.048 220 V CB -0.317 31.448 31.823 -0.097 0.000 0.666 220 V HN 0.651 nan 8.190 nan 0.000 0.456 221 M N -0.609 118.822 119.600 -0.281 0.000 2.358 221 M HA -0.141 4.339 4.480 0.000 0.000 0.264 221 M C 2.094 178.155 176.300 -0.398 0.000 1.064 221 M CA 1.231 56.243 55.300 -0.481 0.000 1.093 221 M CB -1.148 30.797 32.600 -1.092 0.000 1.401 221 M HN 0.468 nan 8.290 nan 0.000 0.440 222 E N 0.402 120.453 120.200 -0.247 0.000 2.097 222 E HA -0.170 4.180 4.350 0.000 0.000 0.196 222 E C 1.610 178.178 176.600 -0.053 0.000 1.000 222 E CA 1.852 58.205 56.400 -0.079 0.000 0.804 222 E CB 0.178 29.878 29.700 -0.000 0.000 0.740 222 E HN 0.469 nan 8.360 nan 0.000 0.454 223 V N -1.253 118.616 119.914 -0.075 0.000 3.647 223 V HA 0.170 4.291 4.120 0.000 0.000 0.279 223 V C 0.339 176.384 176.094 -0.082 0.000 1.314 223 V CA -0.154 62.113 62.300 -0.055 0.000 1.125 223 V CB 0.189 31.977 31.823 -0.058 0.000 0.907 223 V HN -0.034 nan 8.190 nan 0.000 0.434 224 E N 1.728 121.862 120.200 -0.109 0.000 2.344 224 E HA 0.520 4.870 4.350 0.000 0.000 0.270 224 E C 0.657 177.216 176.600 -0.068 0.000 1.021 224 E CA 0.787 57.125 56.400 -0.104 0.000 0.887 224 E CB 0.914 30.534 29.700 -0.135 0.000 0.997 224 E HN 0.597 nan 8.360 nan 0.000 0.429 225 G N 1.966 110.735 108.800 -0.051 0.000 2.531 225 G HA2 0.672 4.632 3.960 0.000 0.000 0.313 225 G HA3 0.672 4.632 3.960 0.000 0.000 0.313 225 G C -1.201 173.685 174.900 -0.024 0.000 1.238 225 G CA -0.303 44.780 45.100 -0.028 0.000 0.994 225 G HN 0.631 nan 8.290 nan 0.000 0.493 226 A N -0.037 122.774 122.820 -0.015 0.000 2.375 226 A HA 0.564 4.884 4.320 0.000 0.000 0.291 226 A C 0.189 177.757 177.584 -0.026 0.000 1.160 226 A CA -0.756 51.267 52.037 -0.023 0.000 0.747 226 A CB 1.100 20.083 19.000 -0.028 0.000 1.170 226 A HN 0.424 nan 8.150 nan 0.000 0.458 227 N N 1.100 119.780 118.700 -0.032 0.000 2.356 227 N HA 0.039 4.779 4.740 0.000 0.000 0.178 227 N C 0.055 175.518 175.510 -0.078 0.000 1.075 227 N CA 0.887 53.910 53.050 -0.045 0.000 0.889 227 N CB 0.242 38.710 38.487 -0.032 0.000 0.999 227 N HN 0.908 nan 8.380 nan 0.000 0.464 228 N N -1.428 117.229 118.700 -0.072 0.000 2.902 228 N HA 0.293 5.034 4.740 0.000 0.000 0.268 228 N C 0.123 175.582 175.510 -0.085 0.000 1.450 228 N CA -0.688 52.311 53.050 -0.084 0.000 0.819 228 N CB 1.176 39.644 38.487 -0.032 0.000 1.540 228 N HN -0.328 nan 8.380 nan 0.000 0.545 229 R N -0.955 119.501 120.500 -0.074 0.000 2.193 229 R HA 0.112 4.452 4.340 0.000 0.000 0.213 229 R C 1.329 177.616 176.300 -0.021 0.000 1.055 229 R CA 0.362 56.422 56.100 -0.066 0.000 0.995 229 R CB -0.472 29.799 30.300 -0.050 0.000 0.893 229 R HN 0.473 nan 8.270 nan 0.000 0.459 230 L N 1.408 122.628 121.223 -0.006 0.000 2.027 230 L HA -0.175 4.165 4.340 0.000 0.000 0.206 230 L C 1.971 178.843 176.870 0.003 0.000 1.074 230 L CA 1.821 56.665 54.840 0.006 0.000 0.745 230 L CB -0.274 41.792 42.059 0.013 0.000 0.898 230 L HN 0.095 nan 8.230 nan 0.000 0.433 231 Q N -0.843 118.954 119.800 -0.006 0.000 2.119 231 Q HA -0.199 4.141 4.340 0.000 0.000 0.201 231 Q C 2.337 178.331 176.000 -0.010 0.000 0.972 231 Q CA 1.726 57.525 55.803 -0.008 0.000 0.847 231 Q CB -0.268 28.462 28.738 -0.014 0.000 0.903 231 Q HN 0.556 nan 8.270 nan 0.000 0.433 232 L N 0.310 121.520 121.223 -0.020 0.000 2.046 232 L HA -0.163 4.177 4.340 0.000 0.000 0.208 232 L C 2.278 179.151 176.870 0.006 0.000 1.077 232 L CA 1.272 56.101 54.840 -0.018 0.000 0.747 232 L CB -0.321 41.716 42.059 -0.037 0.000 0.896 232 L HN 0.177 nan 8.230 nan 0.000 0.432 233 A N -0.381 122.447 122.820 0.013 0.000 1.940 233 A HA -0.191 4.129 4.320 0.000 0.000 0.219 233 A C 2.409 180.023 177.584 0.051 0.000 1.176 233 A CA 1.689 53.746 52.037 0.033 0.000 0.631 233 A CB -0.911 18.107 19.000 0.030 0.000 0.814 233 A HN 0.565 nan 8.150 nan 0.000 0.446 234 A N -0.216 122.629 122.820 0.043 0.000 1.898 234 A HA 0.003 4.324 4.320 0.000 0.000 0.216 234 A C 2.139 179.777 177.584 0.091 0.000 1.181 234 A CA 1.401 53.474 52.037 0.059 0.000 0.620 234 A CB -0.547 18.472 19.000 0.033 0.000 0.819 234 A HN 0.479 nan 8.150 nan 0.000 0.442 235 L N -0.891 120.369 121.223 0.062 0.000 2.093 235 L HA -0.182 4.158 4.340 0.000 0.000 0.208 235 L C 2.622 179.592 176.870 0.166 0.000 1.085 235 L CA 1.712 56.605 54.840 0.088 0.000 0.755 235 L CB -0.555 41.507 42.059 0.005 0.000 0.904 235 L HN 0.486 nan 8.230 nan 0.000 0.435 236 E N 0.525 120.791 120.200 0.109 0.000 2.058 236 E HA -0.223 4.127 4.350 0.000 0.000 0.194 236 E C 2.283 179.002 176.600 0.198 0.000 0.997 236 E CA 1.356 57.836 56.400 0.132 0.000 0.801 236 E CB 0.091 29.840 29.700 0.082 0.000 0.746 236 E HN 0.096 nan 8.360 nan 0.000 0.450 237 R N -0.584 120.014 120.500 0.164 0.000 2.073 237 R HA -0.083 4.257 4.340 0.000 0.000 0.229 237 R C 2.261 178.663 176.300 0.169 0.000 1.120 237 R CA 1.437 57.624 56.100 0.146 0.000 0.967 237 R CB -1.452 28.916 30.300 0.114 0.000 0.862 237 R HN 0.406 nan 8.270 nan 0.000 0.436 238 Y N 0.232 120.588 120.300 0.094 0.000 2.128 238 Y HA -0.254 4.296 4.550 0.000 0.000 0.284 238 Y C 2.062 178.030 175.900 0.114 0.000 1.154 238 Y CA 1.601 59.752 58.100 0.087 0.000 1.149 238 Y CB -0.488 38.018 38.460 0.078 0.000 0.976 238 Y HN 0.038 nan 8.280 nan 0.000 0.505 239 F N 0.876 120.880 119.950 0.090 0.000 2.102 239 F HA -0.231 4.296 4.527 0.000 0.000 0.298 239 F C 2.306 178.089 175.800 -0.029 0.000 1.105 239 F CA 1.909 59.916 58.000 0.012 0.000 1.239 239 F CB -0.454 38.588 39.000 0.070 0.000 0.991 239 F HN 0.080 nan 8.300 nan 0.000 0.474 240 Q N 0.109 119.982 119.800 0.123 0.000 2.119 240 Q HA -0.190 4.151 4.340 0.000 0.000 0.201 240 Q C 1.950 177.940 176.000 -0.017 0.000 0.972 240 Q CA 1.612 57.453 55.803 0.065 0.000 0.847 240 Q CB -0.866 27.950 28.738 0.130 0.000 0.903 240 Q HN 0.475 nan 8.270 nan 0.000 0.433 241 N N 0.610 119.271 118.700 -0.064 0.000 2.188 241 N HA -0.117 4.623 4.740 0.000 0.000 0.184 241 N C 1.587 176.979 175.510 -0.196 0.000 1.018 241 N CA 0.975 53.965 53.050 -0.100 0.000 0.858 241 N CB 0.040 38.471 38.487 -0.093 0.000 0.989 241 N HN 0.141 nan 8.380 nan 0.000 0.426 242 K N 0.613 120.806 120.400 -0.345 0.000 2.057 242 K HA -0.123 4.197 4.320 0.000 0.000 0.206 242 K C 1.754 178.185 176.600 -0.282 0.000 1.050 242 K CA 1.166 57.232 56.287 -0.368 0.000 0.935 242 K CB 0.043 32.235 32.500 -0.514 0.000 0.715 242 K HN 0.282 nan 8.250 nan 0.000 0.439 243 Q N -0.263 119.346 119.800 -0.318 0.000 2.050 243 Q HA -0.129 4.212 4.340 0.000 0.000 0.202 243 Q C 2.126 178.076 176.000 -0.083 0.000 0.980 243 Q CA 1.491 57.170 55.803 -0.206 0.000 0.840 243 Q CB -0.122 28.507 28.738 -0.183 0.000 0.898 243 Q HN 0.406 nan 8.270 nan 0.000 0.424 244 A N 0.424 123.216 122.820 -0.047 0.000 1.902 244 A HA -0.167 4.153 4.320 0.000 0.000 0.217 244 A C 2.267 179.754 177.584 -0.162 0.000 1.181 244 A CA 1.696 53.663 52.037 -0.117 0.000 0.623 244 A CB -0.474 18.500 19.000 -0.043 0.000 0.818 244 A HN 0.246 nan 8.150 nan 0.000 0.443 245 S N -0.578 115.043 115.700 -0.132 0.000 2.382 245 S HA -0.143 4.328 4.470 0.000 0.000 0.228 245 S C 1.985 176.518 174.600 -0.112 0.000 1.027 245 S CA 1.506 59.633 58.200 -0.122 0.000 0.991 245 S CB -0.211 62.919 63.200 -0.115 0.000 0.823 245 S HN 0.670 nan 8.310 nan 0.000 0.469 246 K N 1.078 121.413 120.400 -0.108 0.000 2.057 246 K HA -0.028 4.293 4.320 0.000 0.000 0.207 246 K C 1.965 178.522 176.600 -0.072 0.000 1.049 246 K CA 1.047 57.287 56.287 -0.077 0.000 0.931 246 K CB -0.223 32.237 32.500 -0.067 0.000 0.714 246 K HN 0.287 nan 8.250 nan 0.000 0.440 247 L N 0.858 122.016 121.223 -0.107 0.000 2.093 247 L HA -0.171 4.170 4.340 0.000 0.000 0.208 247 L C 2.374 179.116 176.870 -0.214 0.000 1.085 247 L CA 0.806 55.551 54.840 -0.158 0.000 0.755 247 L CB -0.307 41.614 42.059 -0.230 0.000 0.904 247 L HN 0.193 nan 8.230 nan 0.000 0.435 248 L N -0.565 120.538 121.223 -0.200 0.000 2.046 248 L HA -0.246 4.094 4.340 0.000 0.000 0.208 248 L C 2.411 179.202 176.870 -0.131 0.000 1.077 248 L CA 1.322 56.055 54.840 -0.179 0.000 0.747 248 L CB -0.418 41.546 42.059 -0.159 0.000 0.896 248 L HN 0.246 nan 8.230 nan 0.000 0.432 249 L N -0.814 120.349 121.223 -0.099 0.000 2.275 249 L HA -0.153 4.188 4.340 0.000 0.000 0.215 249 L C 2.141 178.983 176.870 -0.048 0.000 1.119 249 L CA 0.884 55.684 54.840 -0.067 0.000 0.790 249 L CB -0.369 41.659 42.059 -0.052 0.000 0.919 249 L HN 0.295 nan 8.230 nan 0.000 0.443 250 E N -0.176 119.997 120.200 -0.045 0.000 2.481 250 E HA 0.010 4.360 4.350 0.000 0.000 0.195 250 E C 1.305 177.891 176.600 -0.024 0.000 1.047 250 E CA 0.512 56.921 56.400 0.014 0.000 0.867 250 E CB 0.215 29.997 29.700 0.136 0.000 0.858 250 E HN 0.534 nan 8.360 nan 0.000 0.513 251 G N 0.756 109.488 108.800 -0.112 0.000 2.154 251 G HA2 -0.217 3.744 3.960 0.000 0.000 0.186 251 G HA3 -0.217 3.744 3.960 0.000 0.000 0.186 251 G C 0.145 174.924 174.900 -0.201 0.000 1.000 251 G CA -0.132 44.896 45.100 -0.120 0.000 0.664 251 G HN 0.108 nan 8.290 nan 0.000 0.513 252 V N 2.072 121.793 119.914 -0.321 0.000 2.455 252 V HA 0.489 4.609 4.120 0.000 0.000 0.273 252 V C 1.054 177.002 176.094 -0.244 0.000 1.045 252 V CA -0.044 62.052 62.300 -0.339 0.000 0.976 252 V CB 1.588 33.127 31.823 -0.473 0.000 0.993 252 V HN 0.472 nan 8.190 nan 0.000 0.475 253 M N 7.089 126.578 119.600 -0.185 0.000 2.341 253 M HA 0.394 4.874 4.480 0.000 0.000 0.336 253 M C -0.869 175.346 176.300 -0.142 0.000 1.489 253 M CA 0.128 55.324 55.300 -0.175 0.000 1.278 253 M CB -0.166 32.334 32.600 -0.167 0.000 1.657 253 M HN 0.529 nan 8.290 nan 0.000 0.455 254 I N 5.673 126.134 120.570 -0.182 0.000 2.328 254 I HA 0.078 4.249 4.170 0.000 0.000 0.287 254 I C -0.100 175.998 176.117 -0.032 0.000 1.012 254 I CA -0.600 60.616 61.300 -0.140 0.000 1.195 254 I CB 0.971 38.758 38.000 -0.355 0.000 1.350 254 I HN 0.698 nan 8.210 nan 0.000 0.464 255 Y N 2.751 122.997 120.300 -0.089 0.000 2.114 255 Y HA -0.216 4.334 4.550 0.000 0.000 0.282 255 Y C 1.205 177.080 175.900 -0.041 0.000 1.165 255 Y CA 1.508 59.574 58.100 -0.056 0.000 1.148 255 Y CB -0.019 38.419 38.460 -0.037 0.000 0.972 255 Y HN 0.484 nan 8.280 nan 0.000 0.504 256 D N -1.212 119.272 120.400 0.141 0.000 2.476 256 D HA 0.189 4.830 4.640 0.000 0.000 0.251 256 D C -2.267 174.076 176.300 0.072 0.000 1.291 256 D CA -2.387 51.662 54.000 0.082 0.000 0.939 256 D CB 1.548 42.403 40.800 0.092 0.000 1.221 256 D HN -0.099 nan 8.370 nan 0.000 0.567 257 P HA -0.029 nan 4.420 nan 0.000 0.226 257 P C 0.918 178.275 177.300 0.095 0.000 1.153 257 P CA 0.402 63.521 63.100 0.031 0.000 0.777 257 P CB 0.317 31.997 31.700 -0.034 0.000 0.794 258 A N -0.012 122.853 122.820 0.075 0.000 2.167 258 A HA 0.012 4.333 4.320 0.000 0.000 0.214 258 A C 1.670 179.310 177.584 0.094 0.000 1.151 258 A CA 0.446 52.529 52.037 0.077 0.000 0.735 258 A CB -0.528 18.505 19.000 0.055 0.000 0.802 258 A HN 0.095 nan 8.150 nan 0.000 0.467 259 R N -1.147 119.423 120.500 0.117 0.000 2.989 259 R HA 0.386 4.727 4.340 0.000 0.000 0.340 259 R C -1.495 174.914 176.300 0.182 0.000 1.205 259 R CA -0.123 56.046 56.100 0.114 0.000 1.235 259 R CB 0.178 30.529 30.300 0.086 0.000 1.394 259 R HN 0.374 nan 8.270 nan 0.000 0.598 260 F N 0.108 120.068 119.950 0.017 0.000 2.581 260 F HA 0.386 4.913 4.527 0.000 0.000 0.311 260 F C -1.662 174.152 175.800 0.024 0.000 1.113 260 F CA -0.832 57.176 58.000 0.013 0.000 0.935 260 F CB 2.093 41.096 39.000 0.004 0.000 1.232 260 F HN 0.006 nan 8.300 nan 0.000 0.445 261 D N 5.378 125.284 120.400 -0.824 0.000 2.757 261 D HA 0.470 5.110 4.640 0.000 0.000 0.249 261 D C -1.763 174.086 176.300 -0.752 0.000 1.168 261 D CA -0.274 53.397 54.000 -0.547 0.000 0.870 261 D CB 2.384 43.044 40.800 -0.233 0.000 1.411 261 D HN 0.482 nan 8.370 nan 0.000 0.525 262 L N 2.420 123.401 121.223 -0.404 0.000 2.325 262 L HA 0.549 4.890 4.340 0.000 0.000 0.281 262 L C -0.882 176.007 176.870 0.031 0.000 1.004 262 L CA -0.382 54.362 54.840 -0.159 0.000 0.823 262 L CB 1.061 43.156 42.059 0.060 0.000 1.236 262 L HN 0.386 nan 8.230 nan 0.000 0.415 263 R N 4.641 125.156 120.500 0.024 0.000 2.748 263 R HA 0.691 5.031 4.340 0.000 0.000 0.283 263 R C -0.059 176.277 176.300 0.060 0.000 1.507 263 R CA -0.005 56.136 56.100 0.068 0.000 1.666 263 R CB 0.943 31.262 30.300 0.031 0.000 1.237 263 R HN 0.976 nan 8.270 nan 0.000 0.633 264 G N 0.099 108.953 108.800 0.090 0.000 2.470 264 G HA2 -0.079 3.881 3.960 0.000 0.000 0.145 264 G HA3 -0.079 3.881 3.960 0.000 0.000 0.145 264 G C -0.987 173.964 174.900 0.086 0.000 1.223 264 G CA -0.261 44.879 45.100 0.067 0.000 1.058 264 G HN 0.233 nan 8.290 nan 0.000 0.469 265 T N -1.683 112.911 114.554 0.066 0.000 2.893 265 T HA 0.715 5.065 4.350 0.000 0.000 0.291 265 T C -1.292 173.454 174.700 0.076 0.000 1.028 265 T CA -0.576 61.567 62.100 0.071 0.000 0.995 265 T CB 2.107 71.005 68.868 0.049 0.000 1.051 265 T HN 1.558 nan 8.240 nan 0.000 0.470 266 L N 1.982 123.262 121.223 0.096 0.000 2.372 266 L HA 0.530 4.870 4.340 0.000 0.000 0.274 266 L C -0.663 176.262 176.870 0.091 0.000 0.988 266 L CA -0.459 54.451 54.840 0.116 0.000 0.833 266 L CB 1.544 43.713 42.059 0.183 0.000 1.236 266 L HN 0.831 nan 8.230 nan 0.000 0.410 267 E N 3.742 123.968 120.200 0.043 0.000 2.216 267 E HA 0.527 4.878 4.350 0.000 0.000 0.279 267 E C -1.251 175.353 176.600 0.006 0.000 0.997 267 E CA -0.616 55.759 56.400 -0.041 0.000 0.817 267 E CB 1.238 30.907 29.700 -0.051 0.000 1.096 267 E HN 0.736 nan 8.360 nan 0.000 0.393 268 H N -0.216 118.858 119.070 0.006 0.000 2.895 268 H HA 0.611 5.167 4.556 0.000 0.000 0.373 268 H C -0.066 175.258 175.328 -0.006 0.000 1.174 268 H CA -0.961 55.087 56.048 0.001 0.000 1.144 268 H CB 1.151 30.910 29.762 -0.004 0.000 1.793 268 H HN 0.532 nan 8.280 nan 0.000 0.551 269 G N 0.656 109.552 108.800 0.161 0.000 2.531 269 G HA2 0.355 4.316 3.960 0.000 0.000 0.253 269 G HA3 0.355 4.316 3.960 0.000 0.000 0.253 269 G C -0.721 174.291 174.900 0.187 0.000 1.439 269 G CA -1.096 44.074 45.100 0.115 0.000 1.056 269 G HN 0.921 nan 8.290 nan 0.000 0.555 270 K N -0.795 119.657 120.400 0.088 0.000 2.098 270 K HA 0.345 4.665 4.320 0.000 0.000 0.261 270 K C -0.811 175.799 176.600 0.017 0.000 0.987 270 K CA -0.192 56.127 56.287 0.053 0.000 0.916 270 K CB 1.395 33.912 32.500 0.029 0.000 1.039 270 K HN 0.397 nan 8.250 nan 0.000 0.455 271 D N -0.181 120.212 120.400 -0.012 0.000 2.870 271 D HA -0.127 4.513 4.640 0.000 0.000 0.228 271 D C -0.520 175.766 176.300 -0.022 0.000 1.147 271 D CA 0.615 54.600 54.000 -0.024 0.000 0.757 271 D CB -1.201 39.590 40.800 -0.015 0.000 1.091 271 D HN 0.331 nan 8.370 nan 0.000 0.429 272 V N 0.681 120.575 119.914 -0.033 0.000 2.614 272 V HA 0.133 4.253 4.120 0.000 0.000 0.291 272 V C 0.820 176.891 176.094 -0.038 0.000 1.049 272 V CA 0.341 62.624 62.300 -0.028 0.000 1.038 272 V CB 1.551 33.354 31.823 -0.032 0.000 0.980 272 V HN 0.010 nan 8.190 nan 0.000 0.481 273 E N 5.006 125.208 120.200 0.004 0.000 2.199 273 E HA 0.591 4.941 4.350 0.000 0.000 0.265 273 E C -1.179 175.467 176.600 0.076 0.000 0.882 273 E CA -0.491 55.946 56.400 0.061 0.000 0.759 273 E CB 2.417 32.193 29.700 0.126 0.000 1.148 273 E HN 0.529 nan 8.360 nan 0.000 0.412 274 I N 2.470 123.103 120.570 0.104 0.000 2.439 274 I HA 0.225 4.395 4.170 0.000 0.000 0.285 274 I C -0.090 176.089 176.117 0.103 0.000 1.021 274 I CA -0.800 60.544 61.300 0.073 0.000 1.091 274 I CB 1.417 39.453 38.000 0.059 0.000 1.242 274 I HN 0.456 nan 8.210 nan 0.000 0.439 275 D N 4.122 124.459 120.400 -0.106 0.000 2.414 275 D HA 0.209 4.850 4.640 0.000 0.000 0.251 275 D C -0.123 176.106 176.300 -0.119 0.000 1.252 275 D CA -0.157 53.626 54.000 -0.362 0.000 0.999 275 D CB 1.698 42.181 40.800 -0.528 0.000 1.093 275 D HN 0.263 nan 8.370 nan 0.000 0.515 276 V N 0.076 119.909 119.914 -0.135 0.000 2.843 276 V HA 0.217 4.337 4.120 0.000 0.000 0.305 276 V C 0.221 176.302 176.094 -0.023 0.000 1.065 276 V CA -0.890 61.401 62.300 -0.015 0.000 1.116 276 V CB 0.439 32.260 31.823 -0.003 0.000 0.968 276 V HN 0.695 nan 8.190 nan 0.000 0.487 277 N N 0.806 119.524 118.700 0.031 0.000 2.746 277 N HA -0.128 4.612 4.740 0.000 0.000 0.250 277 N C -0.537 174.965 175.510 -0.013 0.000 1.055 277 N CA 0.915 53.975 53.050 0.017 0.000 0.699 277 N CB -1.194 37.306 38.487 0.021 0.000 0.919 277 N HN 0.750 nan 8.380 nan 0.000 0.548 278 V N 1.178 121.099 119.914 0.011 0.000 2.547 278 V HA 0.556 4.677 4.120 0.000 0.000 0.299 278 V C 0.834 176.856 176.094 -0.119 0.000 1.040 278 V CA -0.595 61.695 62.300 -0.018 0.000 0.913 278 V CB 2.264 34.125 31.823 0.063 0.000 0.992 278 V HN 0.141 nan 8.190 nan 0.000 0.449 279 I N 5.283 125.782 120.570 -0.118 0.000 2.406 279 I HA 0.463 4.633 4.170 0.000 0.000 0.290 279 I C -0.910 175.126 176.117 -0.134 0.000 0.999 279 I CA -0.515 60.681 61.300 -0.172 0.000 1.124 279 I CB 1.784 39.729 38.000 -0.092 0.000 1.289 279 I HN 0.296 nan 8.210 nan 0.000 0.441 280 I N 5.883 126.341 120.570 -0.187 0.000 2.362 280 I HA 0.431 4.601 4.170 0.000 0.000 0.289 280 I C -0.087 175.998 176.117 -0.053 0.000 0.994 280 I CA -0.425 60.828 61.300 -0.079 0.000 1.158 280 I CB 1.292 39.273 38.000 -0.031 0.000 1.315 280 I HN 0.644 nan 8.210 nan 0.000 0.451 281 E N 3.197 123.387 120.200 -0.017 0.000 2.288 281 E HA 0.654 5.004 4.350 0.000 0.000 0.268 281 E C 0.318 176.924 176.600 0.010 0.000 0.885 281 E CA -0.697 55.701 56.400 -0.003 0.000 0.767 281 E CB 2.547 32.245 29.700 -0.004 0.000 1.220 281 E HN 0.773 nan 8.360 nan 0.000 0.427 282 G N 2.718 111.526 108.800 0.014 0.000 2.564 282 G HA2 -0.276 3.684 3.960 0.000 0.000 0.273 282 G HA3 -0.276 3.684 3.960 0.000 0.000 0.273 282 G C -0.496 174.416 174.900 0.020 0.000 1.242 282 G CA -0.464 44.643 45.100 0.013 0.000 0.951 282 G HN 0.558 nan 8.290 nan 0.000 0.564 283 N N 0.502 119.211 118.700 0.016 0.000 2.439 283 N HA 0.491 5.231 4.740 0.000 0.000 0.249 283 N C -0.473 175.050 175.510 0.022 0.000 1.003 283 N CA -0.104 52.958 53.050 0.019 0.000 0.942 283 N CB 1.700 40.194 38.487 0.012 0.000 1.115 283 N HN 0.518 nan 8.380 nan 0.000 0.505 284 V N 2.138 122.071 119.914 0.032 0.000 2.555 284 V HA 0.385 4.505 4.120 0.000 0.000 0.302 284 V C 0.106 176.224 176.094 0.040 0.000 1.038 284 V CA -0.812 61.509 62.300 0.036 0.000 0.887 284 V CB 2.329 34.179 31.823 0.046 0.000 0.991 284 V HN 0.470 nan 8.190 nan 0.000 0.434 285 K N 4.952 125.370 120.400 0.030 0.000 2.376 285 K HA 0.732 5.052 4.320 0.000 0.000 0.257 285 K C -1.684 174.935 176.600 0.032 0.000 0.939 285 K CA -0.587 55.716 56.287 0.027 0.000 0.809 285 K CB 1.364 33.871 32.500 0.010 0.000 1.121 285 K HN 0.628 nan 8.250 nan 0.000 0.425 286 L N 3.291 124.543 121.223 0.049 0.000 2.341 286 L HA 0.526 4.866 4.340 0.000 0.000 0.278 286 L C 0.771 177.668 176.870 0.045 0.000 1.005 286 L CA -1.083 53.787 54.840 0.049 0.000 0.818 286 L CB 1.900 44.001 42.059 0.070 0.000 1.259 286 L HN 0.806 nan 8.230 nan 0.000 0.418 287 G N 0.824 109.639 108.800 0.026 0.000 2.535 287 G HA2 0.175 4.135 3.960 0.000 0.000 0.282 287 G HA3 0.175 4.135 3.960 0.000 0.000 0.282 287 G C -0.512 174.405 174.900 0.028 0.000 1.350 287 G CA -0.557 44.555 45.100 0.020 0.000 1.039 287 G HN 0.564 nan 8.290 nan 0.000 0.509 288 D N -0.174 120.238 120.400 0.020 0.000 2.455 288 D HA 0.168 4.808 4.640 0.000 0.000 0.241 288 D C 0.823 177.129 176.300 0.010 0.000 1.138 288 D CA 0.406 54.417 54.000 0.019 0.000 0.877 288 D CB 0.652 41.459 40.800 0.011 0.000 1.187 288 D HN 0.478 nan 8.370 nan 0.000 0.451 289 R N -0.704 119.801 120.500 0.008 0.000 3.770 289 R HA -0.151 4.189 4.340 0.000 0.000 0.305 289 R C -0.461 175.839 176.300 -0.001 0.000 1.184 289 R CA 0.049 56.150 56.100 0.001 0.000 0.823 289 R CB -1.966 28.333 30.300 -0.003 0.000 1.285 289 R HN 0.225 nan 8.270 nan 0.000 0.499 290 V N 1.538 121.455 119.914 0.003 0.000 2.555 290 V HA 0.110 4.230 4.120 0.000 0.000 0.286 290 V C 0.826 176.920 176.094 -0.000 0.000 1.044 290 V CA 0.399 62.699 62.300 -0.000 0.000 1.026 290 V CB 1.342 33.169 31.823 0.008 0.000 0.981 290 V HN 0.098 nan 8.190 nan 0.000 0.480 291 K N 5.833 126.227 120.400 -0.009 0.000 2.323 291 K HA 0.639 4.959 4.320 0.000 0.000 0.259 291 K C -1.125 175.456 176.600 -0.032 0.000 0.947 291 K CA -0.476 55.804 56.287 -0.011 0.000 0.819 291 K CB 2.136 34.628 32.500 -0.013 0.000 1.109 291 K HN 0.504 nan 8.250 nan 0.000 0.429 292 I N 2.114 122.663 120.570 -0.035 0.000 2.389 292 I HA 0.256 4.426 4.170 0.000 0.000 0.288 292 I C 0.739 176.785 176.117 -0.118 0.000 0.999 292 I CA -0.686 60.577 61.300 -0.061 0.000 1.129 292 I CB 1.807 39.794 38.000 -0.023 0.000 1.288 292 I HN 0.674 nan 8.210 nan 0.000 0.444 293 G N 3.240 111.940 108.800 -0.167 0.000 2.616 293 G HA2 0.233 4.194 3.960 0.000 0.000 0.268 293 G HA3 0.233 4.194 3.960 0.000 0.000 0.268 293 G C -0.072 174.646 174.900 -0.302 0.000 1.213 293 G CA -0.251 44.702 45.100 -0.245 0.000 0.926 293 G HN 0.482 nan 8.290 nan 0.000 0.523 294 T N -1.327 112.997 114.554 -0.383 0.000 2.930 294 T HA 0.406 4.756 4.350 0.000 0.000 0.306 294 T C 1.577 175.892 174.700 -0.640 0.000 1.045 294 T CA 1.715 63.569 62.100 -0.411 0.000 1.134 294 T CB 0.099 68.757 68.868 -0.351 0.000 0.961 294 T HN 2.005 nan 8.240 nan 0.000 0.545 295 G N 2.675 111.231 108.800 -0.407 0.000 2.179 295 G HA2 -0.241 3.720 3.960 0.000 0.000 0.260 295 G HA3 -0.241 3.720 3.960 0.000 0.000 0.260 295 G C 0.549 175.352 174.900 -0.161 0.000 0.977 295 G CA 0.054 44.964 45.100 -0.317 0.000 0.641 295 G HN 0.962 nan 8.290 nan 0.000 0.533 296 C N 0.254 119.448 119.300 -0.177 0.000 2.605 296 C HA 0.612 5.073 4.460 0.000 0.000 0.404 296 C C 0.931 175.898 174.990 -0.039 0.000 1.284 296 C CA -0.362 58.599 59.018 -0.095 0.000 2.199 296 C CB 1.176 28.853 27.740 -0.104 0.000 2.647 296 C HN 0.427 nan 8.230 nan 0.000 0.604 297 V N 4.102 124.009 119.914 -0.012 0.000 2.483 297 V HA 0.461 4.581 4.120 0.000 0.000 0.297 297 V C -0.681 175.411 176.094 -0.002 0.000 1.027 297 V CA -0.335 61.961 62.300 -0.006 0.000 0.855 297 V CB 1.356 33.188 31.823 0.014 0.000 0.995 297 V HN 0.569 nan 8.190 nan 0.000 0.424 298 L N 5.102 126.321 121.223 -0.006 0.000 2.343 298 L HA 0.597 4.937 4.340 0.000 0.000 0.278 298 L C -0.270 176.602 176.870 0.003 0.000 0.996 298 L CA -0.124 54.717 54.840 0.002 0.000 0.831 298 L CB 1.672 43.736 42.059 0.008 0.000 1.232 298 L HN 0.607 nan 8.230 nan 0.000 0.413 299 K N 3.524 123.928 120.400 0.007 0.000 2.502 299 K HA 0.423 4.743 4.320 0.000 0.000 0.254 299 K C -0.602 176.003 176.600 0.009 0.000 0.947 299 K CA -0.458 55.833 56.287 0.007 0.000 0.834 299 K CB 0.697 33.202 32.500 0.008 0.000 1.112 299 K HN 0.551 nan 8.250 nan 0.000 0.427 300 N N 1.476 120.182 118.700 0.010 0.000 2.671 300 N HA -0.156 4.584 4.740 0.000 0.000 0.261 300 N C -0.926 174.590 175.510 0.008 0.000 1.053 300 N CA 1.314 54.369 53.050 0.009 0.000 0.732 300 N CB -1.186 37.305 38.487 0.006 0.000 0.887 300 N HN 0.454 nan 8.380 nan 0.000 0.546 301 V N -3.261 116.660 119.914 0.011 0.000 2.962 301 V HA 0.854 4.974 4.120 0.000 0.000 0.313 301 V C 0.157 176.256 176.094 0.009 0.000 1.099 301 V CA -0.891 61.414 62.300 0.008 0.000 0.971 301 V CB 2.894 34.722 31.823 0.008 0.000 1.028 301 V HN -0.092 nan 8.190 nan 0.000 0.430 302 V N 4.679 124.596 119.914 0.005 0.000 2.448 302 V HA 0.587 4.707 4.120 0.000 0.000 0.295 302 V C -0.554 175.540 176.094 0.001 0.000 1.025 302 V CA -0.375 61.928 62.300 0.004 0.000 0.859 302 V CB 1.440 33.263 31.823 0.001 0.000 0.988 302 V HN 0.750 nan 8.190 nan 0.000 0.431 303 I N 3.967 124.539 120.570 0.003 0.000 2.436 303 I HA 0.522 4.692 4.170 0.000 0.000 0.289 303 I C 0.833 176.949 176.117 -0.003 0.000 1.010 303 I CA -0.071 61.228 61.300 -0.002 0.000 1.098 303 I CB 1.481 39.481 38.000 0.001 0.000 1.266 303 I HN 0.691 nan 8.210 nan 0.000 0.434 304 G N 5.037 113.831 108.800 -0.011 0.000 2.621 304 G HA2 0.174 4.134 3.960 0.000 0.000 0.271 304 G HA3 0.174 4.134 3.960 0.000 0.000 0.271 304 G C 0.154 175.048 174.900 -0.010 0.000 1.236 304 G CA -0.502 44.591 45.100 -0.011 0.000 0.958 304 G HN 0.610 nan 8.290 nan 0.000 0.512 305 N N 0.822 119.516 118.700 -0.009 0.000 2.407 305 N HA 0.078 4.818 4.740 0.000 0.000 0.250 305 N C 0.168 175.669 175.510 -0.015 0.000 1.236 305 N CA 0.332 53.378 53.050 -0.008 0.000 0.879 305 N CB 0.453 38.936 38.487 -0.007 0.000 1.088 305 N HN 0.565 nan 8.380 nan 0.000 0.450 306 D N -1.444 118.949 120.400 -0.013 0.000 3.041 306 D HA -0.155 4.485 4.640 0.000 0.000 0.220 306 D C -0.717 175.566 176.300 -0.029 0.000 1.157 306 D CA 0.508 54.497 54.000 -0.018 0.000 0.876 306 D CB -1.212 39.577 40.800 -0.018 0.000 1.107 306 D HN 0.162 nan 8.370 nan 0.000 0.422 307 V N 0.890 120.786 119.914 -0.030 0.000 2.583 307 V HA 0.174 4.294 4.120 0.000 0.000 0.287 307 V C 0.714 176.785 176.094 -0.039 0.000 1.051 307 V CA 0.026 62.302 62.300 -0.041 0.000 1.010 307 V CB 1.826 33.626 31.823 -0.038 0.000 0.988 307 V HN 0.075 nan 8.190 nan 0.000 0.478 308 E N 4.749 124.919 120.200 -0.049 0.000 2.145 308 E HA 0.504 4.855 4.350 0.000 0.000 0.270 308 E C -1.199 175.364 176.600 -0.062 0.000 0.906 308 E CA -0.629 55.741 56.400 -0.050 0.000 0.761 308 E CB 1.230 30.902 29.700 -0.047 0.000 1.116 308 E HN 0.635 nan 8.360 nan 0.000 0.408 309 I N 4.811 125.342 120.570 -0.066 0.000 2.330 309 I HA 0.272 4.442 4.170 0.000 0.000 0.289 309 I C 0.257 176.307 176.117 -0.112 0.000 1.001 309 I CA -0.646 60.606 61.300 -0.080 0.000 1.193 309 I CB 1.249 39.209 38.000 -0.068 0.000 1.345 309 I HN 0.350 nan 8.210 nan 0.000 0.461 310 K N 6.620 126.943 120.400 -0.129 0.000 2.098 310 K HA 0.416 4.736 4.320 0.000 0.000 0.244 310 K C -2.392 174.060 176.600 -0.248 0.000 1.014 310 K CA -1.539 54.646 56.287 -0.170 0.000 0.917 310 K CB 0.413 32.823 32.500 -0.149 0.000 1.072 310 K HN 0.202 nan 8.250 nan 0.000 0.477 311 P HA -0.113 nan 4.420 nan 0.000 0.266 311 P C -1.135 175.852 177.300 -0.522 0.000 1.193 311 P CA 0.579 63.361 63.100 -0.530 0.000 0.770 311 P CB 0.047 31.419 31.700 -0.548 0.000 0.836 312 Y N -1.444 118.700 120.300 -0.260 0.000 3.234 312 Y HA -0.217 4.333 4.550 0.000 0.000 0.207 312 Y C 0.109 175.928 175.900 -0.134 0.000 1.316 312 Y CA 0.007 57.988 58.100 -0.198 0.000 1.309 312 Y CB -2.505 35.790 38.460 -0.275 0.000 1.408 312 Y HN 0.162 nan 8.280 nan 0.000 0.544 313 S N 0.082 115.753 115.700 -0.048 0.000 2.475 313 S HA 0.750 5.221 4.470 0.000 0.000 0.298 313 S C -0.061 174.550 174.600 0.019 0.000 1.119 313 S CA -0.871 57.325 58.200 -0.007 0.000 1.085 313 S CB 2.401 65.568 63.200 -0.055 0.000 1.028 313 S HN 0.111 nan 8.310 nan 0.000 0.489 314 V N 4.253 124.195 119.914 0.047 0.000 2.407 314 V HA 0.503 4.623 4.120 0.000 0.000 0.291 314 V C -1.189 174.926 176.094 0.035 0.000 1.018 314 V CA -0.596 61.731 62.300 0.045 0.000 0.842 314 V CB 1.090 32.954 31.823 0.068 0.000 0.996 314 V HN 0.638 nan 8.190 nan 0.000 0.426 315 L N 4.477 125.713 121.223 0.021 0.000 2.385 315 L HA 0.701 5.042 4.340 0.000 0.000 0.273 315 L C -0.319 176.561 176.870 0.016 0.000 0.990 315 L CA -0.134 54.717 54.840 0.017 0.000 0.821 315 L CB 1.954 44.017 42.059 0.006 0.000 1.279 315 L HN 0.701 nan 8.230 nan 0.000 0.412 316 E N 1.707 121.917 120.200 0.018 0.000 2.308 316 E HA 0.256 4.606 4.350 0.000 0.000 0.275 316 E C -1.107 175.501 176.600 0.013 0.000 0.890 316 E CA -0.510 55.899 56.400 0.016 0.000 0.754 316 E CB 1.359 31.070 29.700 0.018 0.000 1.207 316 E HN 0.596 nan 8.360 nan 0.000 0.426 317 D N 1.772 122.178 120.400 0.010 0.000 2.689 317 D HA -0.143 4.498 4.640 0.000 0.000 0.237 317 D C -1.413 174.891 176.300 0.007 0.000 1.148 317 D CA 1.207 55.212 54.000 0.008 0.000 0.656 317 D CB -0.838 39.967 40.800 0.008 0.000 1.050 317 D HN 0.282 nan 8.370 nan 0.000 0.426 318 S N -0.581 115.123 115.700 0.005 0.000 2.599 318 S HA 0.800 5.271 4.470 0.000 0.000 0.287 318 S C 0.113 174.713 174.600 -0.000 0.000 1.105 318 S CA -0.706 57.495 58.200 0.003 0.000 0.899 318 S CB 2.230 65.432 63.200 0.003 0.000 1.100 318 S HN 0.211 nan 8.310 nan 0.000 0.482 319 I N 1.503 122.071 120.570 -0.004 0.000 2.509 319 I HA 0.591 4.761 4.170 0.000 0.000 0.293 319 I C -1.226 174.884 176.117 -0.012 0.000 1.020 319 I CA -0.840 60.456 61.300 -0.006 0.000 1.088 319 I CB 2.030 40.027 38.000 -0.006 0.000 1.267 319 I HN 0.239 nan 8.210 nan 0.000 0.430 320 V N 4.236 124.141 119.914 -0.015 0.000 2.525 320 V HA 0.571 4.692 4.120 0.000 0.000 0.299 320 V C 0.497 176.576 176.094 -0.025 0.000 1.034 320 V CA -0.612 61.674 62.300 -0.023 0.000 0.863 320 V CB 1.584 33.391 31.823 -0.027 0.000 0.999 320 V HN 0.900 nan 8.190 nan 0.000 0.423 321 G N 2.949 111.730 108.800 -0.031 0.000 2.616 321 G HA2 0.462 4.422 3.960 0.000 0.000 0.268 321 G HA3 0.462 4.422 3.960 0.000 0.000 0.268 321 G C -0.004 174.873 174.900 -0.037 0.000 1.213 321 G CA -0.459 44.623 45.100 -0.029 0.000 0.926 321 G HN 0.919 nan 8.290 nan 0.000 0.523 322 E N -0.632 119.550 120.200 -0.031 0.000 2.413 322 E HA 0.163 4.513 4.350 0.000 0.000 0.263 322 E C -0.193 176.379 176.600 -0.047 0.000 1.015 322 E CA 0.034 56.414 56.400 -0.032 0.000 0.916 322 E CB 0.462 30.148 29.700 -0.022 0.000 0.947 322 E HN 0.563 nan 8.360 nan 0.000 0.440 323 K N -0.616 119.754 120.400 -0.051 0.000 3.407 323 K HA -0.236 4.084 4.320 0.000 0.000 0.312 323 K C -0.017 176.514 176.600 -0.116 0.000 1.302 323 K CA 0.600 56.848 56.287 -0.066 0.000 0.931 323 K CB -2.018 30.452 32.500 -0.051 0.000 1.257 323 K HN 0.691 nan 8.250 nan 0.000 0.454 324 A N 0.900 123.648 122.820 -0.120 0.000 2.366 324 A HA 0.630 4.950 4.320 0.000 0.000 0.249 324 A C 0.307 177.794 177.584 -0.161 0.000 1.084 324 A CA 0.387 52.320 52.037 -0.173 0.000 0.794 324 A CB 0.548 19.474 19.000 -0.123 0.000 1.034 324 A HN 0.467 nan 8.150 nan 0.000 0.491 325 A N 1.575 124.275 122.820 -0.199 0.000 2.335 325 A HA 0.636 4.957 4.320 0.000 0.000 0.304 325 A C -0.725 176.806 177.584 -0.087 0.000 1.118 325 A CA -0.398 51.566 52.037 -0.122 0.000 0.757 325 A CB 0.530 19.474 19.000 -0.094 0.000 1.188 325 A HN 0.589 nan 8.150 nan 0.000 0.460 326 I N 1.628 122.155 120.570 -0.072 0.000 2.569 326 I HA 0.796 4.966 4.170 0.000 0.000 0.296 326 I C 0.793 176.865 176.117 -0.075 0.000 1.028 326 I CA 0.294 61.557 61.300 -0.062 0.000 1.082 326 I CB 0.759 38.726 38.000 -0.055 0.000 1.264 326 I HN 1.314 nan 8.210 nan 0.000 0.429 327 G N 6.877 115.630 108.800 -0.078 0.000 2.685 327 G HA2 -0.068 3.892 3.960 0.000 0.000 0.387 327 G HA3 -0.068 3.892 3.960 0.000 0.000 0.387 327 G C -3.096 171.728 174.900 -0.126 0.000 1.324 327 G CA -0.935 44.098 45.100 -0.112 0.000 0.878 327 G HN 0.491 nan 8.290 nan 0.000 0.527 328 P HA 0.535 nan 4.420 nan 0.000 0.276 328 P C 0.264 177.422 177.300 -0.238 0.000 1.261 328 P CA 0.076 62.988 63.100 -0.314 0.000 0.800 328 P CB 0.092 31.502 31.700 -0.484 0.000 1.066 329 F N -3.148 116.779 119.950 -0.037 0.000 3.091 329 F HA -0.190 4.337 4.527 0.000 0.000 0.288 329 F C 0.346 176.109 175.800 -0.062 0.000 0.907 329 F CA 0.615 58.592 58.000 -0.039 0.000 1.028 329 F CB -2.883 36.003 39.000 -0.191 0.000 1.022 329 F HN 0.027 nan 8.300 nan 0.000 0.665 330 S N 0.075 115.814 115.700 0.066 0.000 2.565 330 S HA 0.718 5.188 4.470 0.000 0.000 0.290 330 S C 0.218 174.863 174.600 0.075 0.000 1.150 330 S CA -0.846 57.383 58.200 0.049 0.000 1.058 330 S CB 2.485 65.682 63.200 -0.004 0.000 1.032 330 S HN 0.340 nan 8.310 nan 0.000 0.510 331 R N 2.453 123.004 120.500 0.084 0.000 2.451 331 R HA 0.444 4.785 4.340 0.000 0.000 0.307 331 R C -1.618 174.722 176.300 0.066 0.000 0.965 331 R CA -0.426 55.723 56.100 0.083 0.000 0.865 331 R CB 0.645 31.009 30.300 0.107 0.000 1.174 331 R HN 0.577 nan 8.270 nan 0.000 0.455 332 L N 5.087 126.338 121.223 0.047 0.000 2.280 332 L HA 0.539 4.879 4.340 0.000 0.000 0.287 332 L C 0.368 177.262 176.870 0.040 0.000 1.023 332 L CA -0.669 54.193 54.840 0.036 0.000 0.819 332 L CB 1.612 43.682 42.059 0.018 0.000 1.212 332 L HN 0.469 nan 8.230 nan 0.000 0.420 333 R N 3.010 123.539 120.500 0.049 0.000 2.607 333 R HA 0.457 4.798 4.340 0.000 0.000 0.261 333 R C -2.392 173.928 176.300 0.033 0.000 1.051 333 R CA -1.872 54.257 56.100 0.048 0.000 1.110 333 R CB 0.753 31.096 30.300 0.071 0.000 1.158 333 R HN 0.282 nan 8.270 nan 0.000 0.543 334 P HA -0.075 nan 4.420 nan 0.000 0.263 334 P C 0.287 177.597 177.300 0.017 0.000 1.175 334 P CA 1.248 64.359 63.100 0.019 0.000 0.761 334 P CB 0.416 32.127 31.700 0.017 0.000 0.794 335 G N 1.704 110.510 108.800 0.010 0.000 2.176 335 G HA2 -0.183 3.777 3.960 0.000 0.000 0.253 335 G HA3 -0.183 3.777 3.960 0.000 0.000 0.253 335 G C 0.378 175.279 174.900 0.001 0.000 0.979 335 G CA -0.061 45.042 45.100 0.006 0.000 0.641 335 G HN 0.844 nan 8.290 nan 0.000 0.530 336 A N 0.292 123.113 122.820 0.003 0.000 2.451 336 A HA 0.603 4.923 4.320 0.000 0.000 0.266 336 A C 0.331 177.911 177.584 -0.006 0.000 1.119 336 A CA 0.393 52.428 52.037 -0.004 0.000 0.786 336 A CB 0.224 19.225 19.000 0.001 0.000 1.061 336 A HN 0.479 nan 8.150 nan 0.000 0.503 337 E N 2.406 122.600 120.200 -0.010 0.000 2.325 337 E HA 0.371 4.722 4.350 0.000 0.000 0.248 337 E C -1.620 174.971 176.600 -0.014 0.000 0.912 337 E CA -0.617 55.777 56.400 -0.010 0.000 0.782 337 E CB 1.427 31.122 29.700 -0.008 0.000 1.264 337 E HN 0.452 nan 8.360 nan 0.000 0.417 338 L N 2.396 123.609 121.223 -0.017 0.000 2.295 338 L HA 0.494 4.834 4.340 0.000 0.000 0.285 338 L C 0.520 177.376 176.870 -0.024 0.000 1.035 338 L CA -0.317 54.510 54.840 -0.022 0.000 0.806 338 L CB 1.190 43.232 42.059 -0.029 0.000 1.214 338 L HN 0.558 nan 8.230 nan 0.000 0.426 339 A N 2.608 125.415 122.820 -0.022 0.000 2.267 339 A HA 0.791 5.112 4.320 0.000 0.000 0.271 339 A C 0.334 177.898 177.584 -0.033 0.000 1.131 339 A CA -0.019 52.006 52.037 -0.021 0.000 0.818 339 A CB 0.027 19.020 19.000 -0.012 0.000 1.118 339 A HN 0.848 nan 8.150 nan 0.000 0.501 340 A N -0.986 121.816 122.820 -0.029 0.000 2.520 340 A HA 0.426 4.746 4.320 0.000 0.000 0.235 340 A C 0.577 178.128 177.584 -0.055 0.000 1.065 340 A CA 0.738 52.751 52.037 -0.040 0.000 0.764 340 A CB -0.670 18.314 19.000 -0.026 0.000 1.002 340 A HN 1.116 nan 8.150 nan 0.000 0.502 341 E N -0.856 119.289 120.200 -0.093 0.000 2.791 341 E HA -0.204 4.146 4.350 0.000 0.000 0.271 341 E C 0.294 176.760 176.600 -0.224 0.000 1.044 341 E CA 0.875 57.192 56.400 -0.139 0.000 0.814 341 E CB -2.356 27.320 29.700 -0.040 0.000 1.400 341 E HN 1.025 nan 8.360 nan 0.000 0.423 342 T N -1.636 112.790 114.554 -0.214 0.000 2.816 342 T HA 0.484 4.834 4.350 0.000 0.000 0.282 342 T C -0.101 174.357 174.700 -0.404 0.000 0.993 342 T CA -0.553 61.453 62.100 -0.158 0.000 0.994 342 T CB 1.120 69.954 68.868 -0.057 0.000 1.025 342 T HN 0.205 nan 8.240 nan 0.000 0.529 343 H N -1.171 117.876 119.070 -0.037 0.000 2.840 343 H HA 0.630 5.186 4.556 0.000 0.000 0.340 343 H C -1.076 174.214 175.328 -0.063 0.000 1.004 343 H CA -0.721 55.297 56.048 -0.051 0.000 1.288 343 H CB 1.548 31.278 29.762 -0.053 0.000 1.607 343 H HN 0.526 nan 8.280 nan 0.000 0.522 344 V N 2.665 122.591 119.914 0.020 0.000 2.531 344 V HA 0.746 4.866 4.120 0.000 0.000 0.301 344 V C 0.575 176.641 176.094 -0.047 0.000 1.034 344 V CA -0.497 61.792 62.300 -0.017 0.000 0.865 344 V CB 1.841 33.652 31.823 -0.020 0.000 0.995 344 V HN 0.965 nan 8.190 nan 0.000 0.424 345 G N 3.067 111.816 108.800 -0.085 0.000 3.107 345 G HA2 0.386 4.346 3.960 0.000 0.000 0.232 345 G HA3 0.386 4.346 3.960 0.000 0.000 0.232 345 G C -0.348 174.467 174.900 -0.142 0.000 1.339 345 G CA -0.992 44.027 45.100 -0.135 0.000 1.033 345 G HN 0.829 nan 8.290 nan 0.000 0.567 346 N N -1.255 117.306 118.700 -0.232 0.000 2.518 346 N HA 0.185 4.926 4.740 0.000 0.000 0.266 346 N C -0.759 174.482 175.510 -0.448 0.000 1.196 346 N CA -0.250 52.496 53.050 -0.506 0.000 0.947 346 N CB 0.475 38.430 38.487 -0.887 0.000 1.098 346 N HN 0.393 nan 8.380 nan 0.000 0.450 347 F N -1.834 118.211 119.950 0.157 0.000 3.074 347 F HA -0.180 4.347 4.527 0.000 0.000 0.287 347 F C -0.864 174.991 175.800 0.091 0.000 0.932 347 F CA -0.270 57.786 58.000 0.093 0.000 0.995 347 F CB -2.312 36.712 39.000 0.039 0.000 0.966 347 F HN 0.244 nan 8.300 nan 0.000 0.721 348 V N 0.107 120.116 119.914 0.158 0.000 2.555 348 V HA 0.552 4.672 4.120 0.000 0.000 0.302 348 V C 0.095 176.266 176.094 0.128 0.000 1.038 348 V CA -1.041 61.334 62.300 0.124 0.000 0.887 348 V CB 2.304 34.159 31.823 0.053 0.000 0.991 348 V HN 0.298 nan 8.190 nan 0.000 0.434 349 E N 4.583 124.879 120.200 0.159 0.000 2.191 349 E HA 0.622 4.972 4.350 0.000 0.000 0.263 349 E C -1.653 175.031 176.600 0.140 0.000 0.881 349 E CA -0.580 55.932 56.400 0.187 0.000 0.757 349 E CB 1.672 31.543 29.700 0.284 0.000 1.147 349 E HN 0.657 nan 8.360 nan 0.000 0.414 350 I N 4.520 125.135 120.570 0.075 0.000 2.418 350 I HA 0.355 4.525 4.170 0.000 0.000 0.287 350 I C -0.402 175.727 176.117 0.021 0.000 1.008 350 I CA -0.701 60.594 61.300 -0.009 0.000 1.104 350 I CB 1.750 39.738 38.000 -0.020 0.000 1.264 350 I HN 0.302 nan 8.210 nan 0.000 0.438 351 K N 6.637 127.029 120.400 -0.013 0.000 2.426 351 K HA 0.285 4.606 4.320 0.000 0.000 0.254 351 K C -0.349 176.248 176.600 -0.005 0.000 0.936 351 K CA -0.794 55.517 56.287 0.041 0.000 0.801 351 K CB 1.520 34.115 32.500 0.157 0.000 1.139 351 K HN 0.521 nan 8.250 nan 0.000 0.424 352 K N 1.960 122.364 120.400 0.007 0.000 3.490 352 K HA -0.159 4.162 4.320 0.000 0.000 0.273 352 K C -1.536 175.053 176.600 -0.018 0.000 0.916 352 K CA 0.768 57.056 56.287 0.001 0.000 0.718 352 K CB -1.062 31.445 32.500 0.012 0.000 1.477 352 K HN 0.584 nan 8.250 nan 0.000 0.452 353 S N -0.067 115.618 115.700 -0.026 0.000 2.546 353 S HA 0.414 4.884 4.470 0.000 0.000 0.274 353 S C -0.654 173.930 174.600 -0.026 0.000 1.121 353 S CA -0.507 57.671 58.200 -0.036 0.000 0.887 353 S CB 2.049 65.207 63.200 -0.070 0.000 1.094 353 S HN 0.387 nan 8.310 nan 0.000 0.474 354 T N -0.744 113.798 114.554 -0.021 0.000 2.829 354 T HA 0.770 5.120 4.350 0.000 0.000 0.282 354 T C -0.653 174.036 174.700 -0.018 0.000 0.990 354 T CA -0.673 61.418 62.100 -0.016 0.000 1.028 354 T CB 0.930 69.793 68.868 -0.009 0.000 0.951 354 T HN 0.312 nan 8.240 nan 0.000 0.460 355 V N 2.619 122.523 119.914 -0.016 0.000 2.483 355 V HA 0.708 4.828 4.120 0.000 0.000 0.297 355 V C 0.941 177.031 176.094 -0.006 0.000 1.027 355 V CA -0.792 61.501 62.300 -0.013 0.000 0.855 355 V CB 1.522 33.335 31.823 -0.016 0.000 0.995 355 V HN 1.254 nan 8.190 nan 0.000 0.424 356 G N 2.555 111.355 108.800 -0.000 0.000 2.562 356 G HA2 0.360 4.321 3.960 0.000 0.000 0.275 356 G HA3 0.360 4.321 3.960 0.000 0.000 0.275 356 G C -0.189 174.717 174.900 0.010 0.000 1.196 356 G CA -0.604 44.498 45.100 0.004 0.000 0.908 356 G HN 0.738 nan 8.290 nan 0.000 0.524 357 K N -0.335 120.071 120.400 0.009 0.000 2.511 357 K HA 0.283 4.603 4.320 0.000 0.000 0.280 357 K C 1.365 177.985 176.600 0.033 0.000 1.008 357 K CA 1.149 57.443 56.287 0.012 0.000 1.050 357 K CB -0.141 32.365 32.500 0.010 0.000 0.889 357 K HN 1.167 nan 8.250 nan 0.000 0.484 358 G N 2.286 111.116 108.800 0.049 0.000 2.205 358 G HA2 -0.270 3.690 3.960 0.000 0.000 0.261 358 G HA3 -0.270 3.690 3.960 0.000 0.000 0.261 358 G C 0.020 175.006 174.900 0.144 0.000 0.980 358 G CA 0.375 45.540 45.100 0.109 0.000 0.632 358 G HN 0.636 nan 8.290 nan 0.000 0.533 359 S N 0.845 116.604 115.700 0.099 0.000 2.585 359 S HA 0.518 4.989 4.470 0.000 0.000 0.273 359 S C 0.357 175.034 174.600 0.128 0.000 1.339 359 S CA 0.536 58.782 58.200 0.078 0.000 1.028 359 S CB 1.082 64.303 63.200 0.035 0.000 0.906 359 S HN 0.810 nan 8.310 nan 0.000 0.528 360 K N -0.259 120.174 120.400 0.055 0.000 2.378 360 K HA 0.686 5.006 4.320 0.000 0.000 0.252 360 K C -1.755 174.835 176.600 -0.017 0.000 0.931 360 K CA -0.899 55.408 56.287 0.033 0.000 0.794 360 K CB 1.547 33.989 32.500 -0.096 0.000 1.181 360 K HN 0.290 nan 8.250 nan 0.000 0.425 361 V N 2.457 122.360 119.914 -0.019 0.000 2.465 361 V HA 0.171 4.291 4.120 0.000 0.000 0.263 361 V C -0.302 175.746 176.094 -0.078 0.000 0.981 361 V CA -0.673 61.604 62.300 -0.038 0.000 0.838 361 V CB 0.360 32.169 31.823 -0.024 0.000 1.068 361 V HN 0.987 nan 8.190 nan 0.000 0.458 362 N N 1.409 120.005 118.700 -0.174 0.000 2.254 362 N HA 0.228 4.969 4.740 0.000 0.000 0.190 362 N C -0.189 174.934 175.510 -0.645 0.000 1.107 362 N CA 0.043 52.831 53.050 -0.436 0.000 0.869 362 N CB 0.419 38.535 38.487 -0.617 0.000 0.983 362 N HN 0.717 nan 8.380 nan 0.000 0.487 363 H N -0.234 118.854 119.070 0.029 0.000 3.087 363 H HA 0.158 4.715 4.556 0.000 0.000 0.348 363 H C -0.286 175.102 175.328 0.101 0.000 1.092 363 H CA -0.856 55.236 56.048 0.073 0.000 1.285 363 H CB 1.402 31.212 29.762 0.080 0.000 1.875 363 H HN -0.117 nan 8.280 nan 0.000 0.512 364 L N 1.314 122.713 121.223 0.293 0.000 3.677 364 L HA -0.205 4.135 4.340 0.000 0.000 0.464 364 L C -0.605 176.363 176.870 0.163 0.000 1.278 364 L CA 0.810 55.794 54.840 0.240 0.000 0.806 364 L CB -1.581 40.597 42.059 0.198 0.000 1.610 364 L HN 0.735 nan 8.230 nan 0.000 0.867 365 T N -1.153 113.496 114.554 0.158 0.000 2.912 365 T HA 0.527 4.877 4.350 0.000 0.000 0.299 365 T C -1.220 173.584 174.700 0.173 0.000 1.052 365 T CA -0.559 61.618 62.100 0.128 0.000 0.996 365 T CB 2.080 70.996 68.868 0.080 0.000 1.070 365 T HN 0.107 nan 8.240 nan 0.000 0.465 366 Y N 2.974 123.291 120.300 0.029 0.000 2.328 366 Y HA 0.662 5.212 4.550 0.000 0.000 0.336 366 Y C -1.322 174.585 175.900 0.011 0.000 0.960 366 Y CA -1.046 57.066 58.100 0.021 0.000 1.134 366 Y CB 0.894 39.362 38.460 0.014 0.000 1.166 366 Y HN 0.370 nan 8.280 nan 0.000 0.464 367 V N 6.217 125.775 119.914 -0.593 0.000 2.407 367 V HA 0.785 4.906 4.120 0.000 0.000 0.291 367 V C 0.062 175.670 176.094 -0.809 0.000 1.018 367 V CA -0.350 61.607 62.300 -0.572 0.000 0.842 367 V CB 1.310 32.985 31.823 -0.246 0.000 0.996 367 V HN 0.993 nan 8.190 nan 0.000 0.426 368 G N 1.831 110.156 108.800 -0.792 0.000 2.591 368 G HA2 0.597 4.557 3.960 0.000 0.000 0.306 368 G HA3 0.597 4.557 3.960 0.000 0.000 0.306 368 G C -0.593 174.210 174.900 -0.161 0.000 1.334 368 G CA -0.487 44.342 45.100 -0.453 0.000 0.981 368 G HN 0.648 nan 8.290 nan 0.000 0.491 369 D N -0.072 120.289 120.400 -0.066 0.000 2.686 369 D HA -0.151 4.489 4.640 0.000 0.000 0.235 369 D C 0.299 176.588 176.300 -0.019 0.000 1.160 369 D CA 1.666 55.656 54.000 -0.016 0.000 0.645 369 D CB -0.967 39.843 40.800 0.017 0.000 1.039 369 D HN 0.322 nan 8.370 nan 0.000 0.423 370 S N -0.071 115.603 115.700 -0.044 0.000 2.568 370 S HA 0.507 4.977 4.470 0.000 0.000 0.293 370 S C -0.089 174.496 174.600 -0.026 0.000 1.089 370 S CA -0.879 57.298 58.200 -0.038 0.000 0.945 370 S CB 2.769 65.926 63.200 -0.073 0.000 1.077 370 S HN 0.095 nan 8.310 nan 0.000 0.485 371 E N 1.401 121.593 120.200 -0.014 0.000 2.165 371 E HA 0.509 4.860 4.350 0.000 0.000 0.266 371 E C -1.125 175.468 176.600 -0.012 0.000 0.889 371 E CA -0.322 56.072 56.400 -0.010 0.000 0.756 371 E CB 1.607 31.306 29.700 -0.000 0.000 1.131 371 E HN 0.421 nan 8.360 nan 0.000 0.411 372 I N 2.091 122.653 120.570 -0.014 0.000 2.465 372 I HA 0.345 4.516 4.170 0.000 0.000 0.291 372 I C 0.772 176.887 176.117 -0.003 0.000 1.014 372 I CA -0.692 60.601 61.300 -0.011 0.000 1.093 372 I CB 1.922 39.910 38.000 -0.020 0.000 1.267 372 I HN 0.569 nan 8.210 nan 0.000 0.431 373 G N 3.297 112.099 108.800 0.003 0.000 2.489 373 G HA2 0.335 4.295 3.960 0.000 0.000 0.271 373 G HA3 0.335 4.295 3.960 0.000 0.000 0.271 373 G C -0.109 174.798 174.900 0.011 0.000 1.427 373 G CA -0.370 44.734 45.100 0.008 0.000 1.057 373 G HN 0.653 nan 8.290 nan 0.000 0.532 374 S N -0.688 115.021 115.700 0.015 0.000 2.586 374 S HA 0.249 4.719 4.470 0.000 0.000 0.274 374 S C 0.351 174.968 174.600 0.028 0.000 1.281 374 S CA -0.286 57.926 58.200 0.021 0.000 1.035 374 S CB 1.050 64.261 63.200 0.019 0.000 0.962 374 S HN 0.647 nan 8.310 nan 0.000 0.512 375 N N -0.605 118.117 118.700 0.036 0.000 2.740 375 N HA -0.148 4.592 4.740 0.000 0.000 0.248 375 N C -0.650 174.885 175.510 0.041 0.000 1.062 375 N CA 0.745 53.819 53.050 0.042 0.000 0.704 375 N CB -2.204 36.307 38.487 0.039 0.000 0.968 375 N HN 0.648 nan 8.380 nan 0.000 0.547 376 C N 0.663 119.982 119.300 0.032 0.000 2.382 376 C HA 0.408 4.868 4.460 0.000 0.000 0.363 376 C C 1.143 176.134 174.990 0.003 0.000 1.213 376 C CA -0.730 58.301 59.018 0.023 0.000 2.363 376 C CB 1.373 29.116 27.740 0.006 0.000 2.397 376 C HN 0.378 nan 8.230 nan 0.000 0.573 377 N N 2.089 120.773 118.700 -0.027 0.000 2.569 377 N HA 0.347 5.087 4.740 0.000 0.000 0.254 377 N C -1.205 174.172 175.510 -0.221 0.000 1.004 377 N CA -0.346 52.644 53.050 -0.099 0.000 0.904 377 N CB 0.322 38.776 38.487 -0.055 0.000 1.165 377 N HN 0.432 nan 8.380 nan 0.000 0.513 378 I N 2.348 122.831 120.570 -0.145 0.000 2.291 378 I HA 0.313 4.484 4.170 0.000 0.000 0.290 378 I C 1.503 177.546 176.117 -0.123 0.000 1.050 378 I CA -0.700 60.516 61.300 -0.141 0.000 1.245 378 I CB 0.171 38.126 38.000 -0.076 0.000 1.405 378 I HN 0.365 nan 8.210 nan 0.000 0.478 379 G N 4.620 113.308 108.800 -0.187 0.000 2.636 379 G HA2 0.408 4.368 3.960 0.000 0.000 0.246 379 G HA3 0.408 4.368 3.960 0.000 0.000 0.246 379 G C 0.221 175.129 174.900 0.013 0.000 1.216 379 G CA -0.393 44.637 45.100 -0.116 0.000 0.854 379 G HN 0.807 nan 8.290 nan 0.000 0.572 380 A N -0.686 122.180 122.820 0.076 0.000 2.540 380 A HA 0.506 4.826 4.320 0.000 0.000 0.239 380 A C 1.684 179.291 177.584 0.039 0.000 1.061 380 A CA 1.265 53.358 52.037 0.094 0.000 0.758 380 A CB -0.374 18.572 19.000 -0.090 0.000 0.991 380 A HN 2.623 nan 8.150 nan 0.000 0.502 381 G N 0.836 109.675 108.800 0.066 0.000 2.179 381 G HA2 -0.176 3.784 3.960 0.000 0.000 0.260 381 G HA3 -0.176 3.784 3.960 0.000 0.000 0.260 381 G C 0.283 175.205 174.900 0.036 0.000 0.977 381 G CA 0.149 45.276 45.100 0.045 0.000 0.641 381 G HN 1.401 nan 8.290 nan 0.000 0.533 382 V N 1.144 121.075 119.914 0.029 0.000 2.637 382 V HA 0.520 4.640 4.120 0.000 0.000 0.296 382 V C 0.786 176.903 176.094 0.039 0.000 1.046 382 V CA 0.439 62.747 62.300 0.014 0.000 1.066 382 V CB 1.373 33.185 31.823 -0.018 0.000 0.968 382 V HN 0.324 nan 8.190 nan 0.000 0.483 383 I N 3.684 124.278 120.570 0.041 0.000 2.534 383 I HA 0.327 4.497 4.170 0.000 0.000 0.288 383 I C 0.118 176.268 176.117 0.056 0.000 1.077 383 I CA -0.452 60.901 61.300 0.088 0.000 1.051 383 I CB 2.522 40.583 38.000 0.101 0.000 1.234 383 I HN 0.691 nan 8.210 nan 0.000 0.425 384 T N 2.533 117.115 114.554 0.047 0.000 2.817 384 T HA 0.612 4.962 4.350 0.000 0.000 0.293 384 T C -0.121 174.649 174.700 0.117 0.000 0.964 384 T CA -0.571 61.540 62.100 0.019 0.000 1.085 384 T CB 0.963 69.780 68.868 -0.085 0.000 0.921 384 T HN 0.788 nan 8.240 nan 0.000 0.502 385 C N 1.954 121.283 119.300 0.049 0.000 3.318 385 C HA 0.795 5.256 4.460 0.000 0.000 0.329 385 C C -0.871 174.102 174.990 -0.028 0.000 1.449 385 C CA -1.078 57.960 59.018 0.034 0.000 1.397 385 C CB 1.098 28.835 27.740 -0.006 0.000 1.810 385 C HN 0.952 nan 8.230 nan 0.000 0.449 386 N N -1.053 117.620 118.700 -0.046 0.000 2.380 386 N HA 0.488 5.229 4.740 0.000 0.000 0.290 386 N C -1.533 173.910 175.510 -0.112 0.000 1.236 386 N CA -0.226 52.796 53.050 -0.046 0.000 0.780 386 N CB 1.547 40.053 38.487 0.032 0.000 1.438 386 N HN 0.772 nan 8.380 nan 0.000 0.491 387 Y N 0.149 120.502 120.300 0.087 0.000 2.385 387 Y HA -0.033 4.518 4.550 0.001 0.000 0.346 387 Y C 1.068 176.997 175.900 0.048 0.000 1.270 387 Y CA 0.037 58.178 58.100 0.069 0.000 1.472 387 Y CB 0.348 38.862 38.460 0.089 0.000 1.354 387 Y HN 0.439 nan 8.280 nan 0.000 0.611 388 D N 1.028 121.550 120.400 0.204 0.000 2.455 388 D HA 0.260 4.900 4.640 0.000 0.000 0.234 388 D C 0.143 176.512 176.300 0.114 0.000 1.224 388 D CA 0.346 54.415 54.000 0.114 0.000 0.999 388 D CB -0.454 40.396 40.800 0.083 0.000 1.072 388 D HN 0.679 nan 8.370 nan 0.000 0.514 389 G N 1.250 110.112 108.800 0.104 0.000 3.259 389 G HA2 0.627 4.588 3.960 0.000 0.000 0.178 389 G HA3 0.627 4.588 3.960 0.000 0.000 0.178 389 G C 0.134 175.057 174.900 0.039 0.000 1.129 389 G CA 0.098 45.253 45.100 0.091 0.000 0.816 389 G HN 0.478 nan 8.290 nan 0.000 0.634 390 A N -0.276 122.560 122.820 0.027 0.000 3.513 390 A HA 0.504 4.824 4.320 0.000 0.000 0.195 390 A C 0.842 178.362 177.584 -0.107 0.000 2.063 390 A CA 0.102 52.128 52.037 -0.018 0.000 1.375 390 A CB -0.808 18.198 19.000 0.010 0.000 1.204 390 A HN 0.474 nan 8.150 nan 0.000 0.385 391 N N 0.835 119.425 118.700 -0.184 0.000 2.371 391 N HA 0.292 5.033 4.740 0.000 0.000 0.243 391 N C -0.323 174.769 175.510 -0.698 0.000 1.287 391 N CA 0.279 53.120 53.050 -0.348 0.000 0.911 391 N CB 0.230 38.529 38.487 -0.312 0.000 1.142 391 N HN 0.376 nan 8.380 nan 0.000 0.451 392 K N 0.186 120.237 120.400 -0.581 0.000 2.132 392 K HA 0.541 4.861 4.320 0.000 0.000 0.241 392 K C -0.555 175.621 176.600 -0.706 0.000 1.000 392 K CA -0.288 55.667 56.287 -0.552 0.000 0.911 392 K CB 0.921 33.306 32.500 -0.192 0.000 1.093 392 K HN 0.359 nan 8.250 nan 0.000 0.460 393 F N -0.106 119.876 119.950 0.053 0.000 2.706 393 F HA 0.429 4.956 4.527 0.000 0.000 0.328 393 F C -0.101 175.719 175.800 0.033 0.000 1.123 393 F CA -1.245 56.783 58.000 0.047 0.000 0.978 393 F CB 1.613 40.652 39.000 0.065 0.000 1.404 393 F HN 0.037 nan 8.300 nan 0.000 0.497 394 K N 0.354 120.910 120.400 0.260 0.000 2.123 394 K HA 0.530 4.850 4.320 0.000 0.000 0.259 394 K C -1.138 175.516 176.600 0.089 0.000 0.960 394 K CA -0.677 55.685 56.287 0.126 0.000 0.872 394 K CB 1.860 34.417 32.500 0.095 0.000 1.079 394 K HN 0.474 nan 8.250 nan 0.000 0.440 395 T N 3.293 117.875 114.554 0.046 0.000 2.758 395 T HA 0.383 4.734 4.350 0.000 0.000 0.285 395 T C -0.277 174.430 174.700 0.012 0.000 0.981 395 T CA -0.612 61.502 62.100 0.025 0.000 0.965 395 T CB 0.408 69.277 68.868 0.001 0.000 0.927 395 T HN 0.250 nan 8.240 nan 0.000 0.448 396 I N 4.957 125.536 120.570 0.015 0.000 2.355 396 I HA 0.455 4.625 4.170 0.000 0.000 0.288 396 I C -0.151 175.971 176.117 0.007 0.000 0.999 396 I CA -0.775 60.531 61.300 0.010 0.000 1.163 396 I CB 1.024 39.032 38.000 0.013 0.000 1.316 396 I HN 0.581 nan 8.210 nan 0.000 0.454 397 I N 4.891 125.462 120.570 0.003 0.000 2.433 397 I HA 0.500 4.670 4.170 0.000 0.000 0.292 397 I C 1.025 177.146 176.117 0.007 0.000 1.001 397 I CA -0.358 60.944 61.300 0.004 0.000 1.119 397 I CB 2.133 40.131 38.000 -0.003 0.000 1.289 397 I HN 0.633 nan 8.210 nan 0.000 0.438 398 G N 4.254 113.061 108.800 0.013 0.000 2.504 398 G HA2 0.174 4.134 3.960 0.000 0.000 0.257 398 G HA3 0.174 4.134 3.960 0.000 0.000 0.257 398 G C -0.477 174.433 174.900 0.016 0.000 1.451 398 G CA -0.370 44.738 45.100 0.014 0.000 1.059 398 G HN 0.519 nan 8.290 nan 0.000 0.550 399 D N 0.272 120.683 120.400 0.019 0.000 2.283 399 D HA 0.252 4.892 4.640 0.000 0.000 0.248 399 D C -0.105 176.213 176.300 0.030 0.000 1.072 399 D CA -0.045 53.968 54.000 0.022 0.000 0.929 399 D CB 0.953 41.765 40.800 0.019 0.000 1.182 399 D HN 0.414 nan 8.370 nan 0.000 0.433 400 D N -0.239 120.183 120.400 0.036 0.000 2.723 400 D HA -0.144 4.496 4.640 0.000 0.000 0.236 400 D C -0.574 175.767 176.300 0.067 0.000 1.138 400 D CA 0.449 54.478 54.000 0.049 0.000 0.676 400 D CB -1.030 39.794 40.800 0.040 0.000 1.069 400 D HN 0.044 nan 8.370 nan 0.000 0.430 401 V N 0.776 120.730 119.914 0.067 0.000 2.481 401 V HA 0.457 4.578 4.120 0.000 0.000 0.286 401 V C 0.197 176.369 176.094 0.129 0.000 1.042 401 V CA -0.729 61.623 62.300 0.088 0.000 0.928 401 V CB 1.641 33.495 31.823 0.051 0.000 0.986 401 V HN 0.155 nan 8.190 nan 0.000 0.462 402 F N 5.141 125.096 119.950 0.008 0.000 2.411 402 F HA 0.657 5.184 4.527 0.000 0.000 0.352 402 F C -0.308 175.498 175.800 0.011 0.000 1.123 402 F CA -0.463 57.542 58.000 0.009 0.000 1.044 402 F CB 1.321 40.325 39.000 0.008 0.000 1.135 402 F HN 0.254 nan 8.300 nan 0.000 0.461 403 V N 6.622 126.320 119.914 -0.360 0.000 2.334 403 V HA 0.472 4.592 4.120 0.000 0.000 0.281 403 V C 0.718 176.550 176.094 -0.437 0.000 1.016 403 V CA -0.727 61.432 62.300 -0.235 0.000 0.832 403 V CB 0.813 32.554 31.823 -0.136 0.000 0.999 403 V HN 0.964 nan 8.190 nan 0.000 0.439 404 G N 3.300 111.998 108.800 -0.169 0.000 2.594 404 G HA2 0.295 4.255 3.960 0.000 0.000 0.243 404 G HA3 0.295 4.255 3.960 0.000 0.000 0.243 404 G C 0.286 175.147 174.900 -0.065 0.000 1.229 404 G CA -0.232 44.837 45.100 -0.053 0.000 0.843 404 G HN 0.666 nan 8.290 nan 0.000 0.578 405 S N -0.293 115.387 115.700 -0.033 0.000 2.563 405 S HA 0.135 4.605 4.470 0.000 0.000 0.284 405 S C 0.759 175.356 174.600 -0.006 0.000 1.331 405 S CA 0.740 58.924 58.200 -0.026 0.000 1.047 405 S CB 0.602 63.792 63.200 -0.017 0.000 0.859 405 S HN 0.857 nan 8.310 nan 0.000 0.514 406 D N 0.427 120.824 120.400 -0.005 0.000 2.870 406 D HA -0.148 4.492 4.640 0.000 0.000 0.228 406 D C -0.472 175.830 176.300 0.004 0.000 1.147 406 D CA 1.008 55.010 54.000 0.003 0.000 0.757 406 D CB -1.258 39.543 40.800 0.002 0.000 1.091 406 D HN 0.467 nan 8.370 nan 0.000 0.429 407 T N 0.856 115.410 114.554 -0.000 0.000 2.837 407 T HA 0.491 4.841 4.350 0.000 0.000 0.285 407 T C 0.134 174.835 174.700 0.001 0.000 0.984 407 T CA -0.553 61.548 62.100 0.002 0.000 1.049 407 T CB 1.297 70.164 68.868 -0.001 0.000 0.947 407 T HN 0.020 nan 8.240 nan 0.000 0.472 408 Q N 2.368 122.168 119.800 -0.000 0.000 2.278 408 Q HA 0.550 4.890 4.340 0.000 0.000 0.257 408 Q C -0.774 175.218 176.000 -0.012 0.000 0.928 408 Q CA -0.285 55.515 55.803 -0.005 0.000 0.932 408 Q CB 1.225 29.955 28.738 -0.014 0.000 1.221 408 Q HN 0.517 nan 8.270 nan 0.000 0.434 409 L N 2.532 123.747 121.223 -0.013 0.000 2.265 409 L HA 0.469 4.809 4.340 0.000 0.000 0.289 409 L C -0.810 176.042 176.870 -0.031 0.000 1.033 409 L CA -1.010 53.821 54.840 -0.015 0.000 0.814 409 L CB 1.060 43.111 42.059 -0.013 0.000 1.203 409 L HN 0.366 nan 8.230 nan 0.000 0.423 410 V N 3.402 123.285 119.914 -0.051 0.000 2.304 410 V HA 0.428 4.549 4.120 0.000 0.000 0.269 410 V C 0.779 176.848 176.094 -0.042 0.000 1.036 410 V CA -0.551 61.670 62.300 -0.131 0.000 0.840 410 V CB 1.015 32.675 31.823 -0.272 0.000 1.036 410 V HN 0.851 nan 8.190 nan 0.000 0.466 411 A N 8.475 131.302 122.820 0.013 0.000 2.386 411 A HA 0.636 4.956 4.320 0.000 0.000 0.248 411 A C -2.129 175.617 177.584 0.269 0.000 1.082 411 A CA -1.149 50.965 52.037 0.129 0.000 0.789 411 A CB 0.027 19.120 19.000 0.154 0.000 1.025 411 A HN 0.624 nan 8.150 nan 0.000 0.490 412 P HA 0.394 nan 4.420 nan 0.000 0.281 412 P C -0.791 176.557 177.300 0.081 0.000 1.252 412 P CA 0.051 63.223 63.100 0.119 0.000 0.778 412 P CB 1.313 32.989 31.700 -0.040 0.000 0.895 413 V N 3.777 123.727 119.914 0.060 0.000 3.120 413 V HA 0.447 4.567 4.120 0.000 0.000 0.303 413 V C -1.402 174.710 176.094 0.029 0.000 1.238 413 V CA -0.830 61.496 62.300 0.043 0.000 1.008 413 V CB 2.757 34.608 31.823 0.047 0.000 1.064 413 V HN 0.431 nan 8.190 nan 0.000 0.434 414 K N 3.791 124.205 120.400 0.022 0.000 2.397 414 K HA 0.762 5.083 4.320 0.000 0.000 0.253 414 K C -1.657 174.954 176.600 0.018 0.000 0.932 414 K CA -0.680 55.617 56.287 0.017 0.000 0.795 414 K CB 2.416 34.923 32.500 0.012 0.000 1.159 414 K HN 0.441 nan 8.250 nan 0.000 0.424 415 V N 2.522 122.446 119.914 0.017 0.000 2.378 415 V HA 0.407 4.528 4.120 0.000 0.000 0.288 415 V C 0.056 176.162 176.094 0.019 0.000 1.016 415 V CA -0.828 61.484 62.300 0.020 0.000 0.840 415 V CB 1.236 33.072 31.823 0.021 0.000 0.994 415 V HN 0.954 nan 8.190 nan 0.000 0.431 416 A N 4.657 127.489 122.820 0.020 0.000 2.259 416 A HA 0.529 4.850 4.320 0.000 0.000 0.278 416 A C 0.442 178.039 177.584 0.022 0.000 1.107 416 A CA -0.547 51.501 52.037 0.018 0.000 0.828 416 A CB 0.109 19.119 19.000 0.015 0.000 1.111 416 A HN 0.780 nan 8.150 nan 0.000 0.498 417 N N -0.041 118.671 118.700 0.020 0.000 2.356 417 N HA 0.282 5.023 4.740 0.000 0.000 0.252 417 N C 1.145 176.670 175.510 0.026 0.000 1.241 417 N CA 1.648 54.711 53.050 0.022 0.000 0.861 417 N CB 0.405 38.902 38.487 0.018 0.000 1.075 417 N HN 1.345 nan 8.380 nan 0.000 0.461 418 G N -0.560 108.260 108.800 0.033 0.000 2.162 418 G HA2 -0.246 3.714 3.960 0.000 0.000 0.260 418 G HA3 -0.246 3.714 3.960 0.000 0.000 0.260 418 G C 0.338 175.264 174.900 0.042 0.000 0.976 418 G CA 0.450 45.571 45.100 0.036 0.000 0.655 418 G HN 0.940 nan 8.290 nan 0.000 0.533 419 A N -0.416 122.433 122.820 0.048 0.000 2.366 419 A HA 0.702 5.022 4.320 0.000 0.000 0.249 419 A C 0.574 178.212 177.584 0.089 0.000 1.084 419 A CA 1.237 53.306 52.037 0.054 0.000 0.794 419 A CB 0.541 19.570 19.000 0.048 0.000 1.034 419 A HN 0.891 nan 8.150 nan 0.000 0.491 420 T N 1.660 116.267 114.554 0.088 0.000 2.879 420 T HA 0.562 4.912 4.350 0.000 0.000 0.290 420 T C -0.603 174.183 174.700 0.143 0.000 0.993 420 T CA 0.049 62.231 62.100 0.138 0.000 0.975 420 T CB 0.655 69.544 68.868 0.035 0.000 0.981 420 T HN 0.440 nan 8.240 nan 0.000 0.439 421 I N 2.196 122.905 120.570 0.232 0.000 2.436 421 I HA 0.519 4.689 4.170 0.000 0.000 0.289 421 I C 1.036 177.283 176.117 0.217 0.000 1.010 421 I CA -0.845 60.552 61.300 0.162 0.000 1.098 421 I CB 1.783 39.845 38.000 0.102 0.000 1.266 421 I HN 0.737 nan 8.210 nan 0.000 0.434 422 G N 3.921 112.805 108.800 0.141 0.000 2.594 422 G HA2 0.479 4.439 3.960 0.000 0.000 0.243 422 G HA3 0.479 4.439 3.960 0.000 0.000 0.243 422 G C 0.120 175.091 174.900 0.118 0.000 1.229 422 G CA -0.370 44.812 45.100 0.137 0.000 0.843 422 G HN 0.798 nan 8.290 nan 0.000 0.578 423 A N -0.494 122.396 122.820 0.117 0.000 2.483 423 A HA 0.533 4.854 4.320 0.000 0.000 0.238 423 A C 1.618 179.229 177.584 0.045 0.000 1.070 423 A CA 1.087 53.167 52.037 0.072 0.000 0.770 423 A CB -0.263 18.778 19.000 0.068 0.000 1.008 423 A HN 2.623 nan 8.150 nan 0.000 0.497 424 G N 1.478 110.294 108.800 0.028 0.000 2.143 424 G HA2 -0.184 3.777 3.960 0.000 0.000 0.248 424 G HA3 -0.184 3.777 3.960 0.000 0.000 0.248 424 G C 0.350 175.261 174.900 0.019 0.000 0.991 424 G CA 0.558 45.669 45.100 0.019 0.000 0.689 424 G HN 1.153 nan 8.290 nan 0.000 0.522 425 T N 0.923 115.491 114.554 0.023 0.000 2.922 425 T HA 0.580 4.930 4.350 0.000 0.000 0.285 425 T C 0.337 175.047 174.700 0.015 0.000 1.005 425 T CA 0.430 62.544 62.100 0.023 0.000 1.061 425 T CB 1.448 70.335 68.868 0.033 0.000 1.007 425 T HN 0.168 nan 8.240 nan 0.000 0.502 426 T N 3.926 118.488 114.554 0.015 0.000 2.821 426 T HA 0.395 4.745 4.350 0.000 0.000 0.307 426 T C -0.147 174.562 174.700 0.015 0.000 1.034 426 T CA -0.565 61.540 62.100 0.008 0.000 0.953 426 T CB 0.090 68.963 68.868 0.008 0.000 0.968 426 T HN 0.310 nan 8.240 nan 0.000 0.462 427 I N 4.830 125.407 120.570 0.011 0.000 2.297 427 I HA 0.222 4.392 4.170 0.000 0.000 0.291 427 I C 1.598 177.729 176.117 0.023 0.000 1.033 427 I CA -0.166 61.146 61.300 0.020 0.000 1.253 427 I CB 0.772 38.783 38.000 0.019 0.000 1.396 427 I HN 0.731 nan 8.210 nan 0.000 0.476 428 T N 3.512 118.094 114.554 0.047 0.000 2.978 428 T HA 0.261 4.611 4.350 0.000 0.000 0.248 428 T C 0.942 175.697 174.700 0.092 0.000 1.018 428 T CA -0.167 61.987 62.100 0.090 0.000 1.026 428 T CB 0.465 69.419 68.868 0.143 0.000 1.032 428 T HN 0.394 nan 8.240 nan 0.000 0.485 429 R N 1.877 122.414 120.500 0.061 0.000 2.540 429 R HA 0.492 4.832 4.340 0.000 0.000 0.287 429 R C -1.110 175.211 176.300 0.035 0.000 0.980 429 R CA -0.931 55.197 56.100 0.046 0.000 0.966 429 R CB 0.596 30.918 30.300 0.036 0.000 1.106 429 R HN 0.205 nan 8.270 nan 0.000 0.480 430 D N 1.150 121.566 120.400 0.027 0.000 2.472 430 D HA 0.050 4.690 4.640 0.000 0.000 0.237 430 D C -0.366 175.947 176.300 0.021 0.000 1.141 430 D CA 0.319 54.332 54.000 0.022 0.000 0.875 430 D CB 0.828 41.637 40.800 0.014 0.000 1.192 430 D HN 0.025 nan 8.370 nan 0.000 0.450 431 V N 1.851 121.778 119.914 0.022 0.000 2.435 431 V HA 0.572 4.693 4.120 0.000 0.000 0.290 431 V C 1.065 177.171 176.094 0.020 0.000 1.030 431 V CA -0.785 61.529 62.300 0.023 0.000 0.881 431 V CB 1.616 33.456 31.823 0.028 0.000 0.983 431 V HN 0.584 nan 8.190 nan 0.000 0.445 432 G N 2.501 111.312 108.800 0.018 0.000 2.580 432 G HA2 0.400 4.360 3.960 0.000 0.000 0.278 432 G HA3 0.400 4.360 3.960 0.000 0.000 0.278 432 G C -0.223 174.687 174.900 0.017 0.000 1.212 432 G CA -0.453 44.656 45.100 0.015 0.000 0.939 432 G HN 0.782 nan 8.290 nan 0.000 0.513 433 E N 0.227 120.435 120.200 0.014 0.000 2.415 433 E HA -0.007 4.343 4.350 0.000 0.000 0.263 433 E C 0.055 176.664 176.600 0.014 0.000 0.995 433 E CA -0.138 56.271 56.400 0.015 0.000 0.915 433 E CB 0.090 29.797 29.700 0.012 0.000 0.951 433 E HN 0.444 nan 8.360 nan 0.000 0.449 434 N N 2.539 121.249 118.700 0.017 0.000 2.708 434 N HA -0.251 4.490 4.740 0.000 0.000 0.249 434 N C -0.980 174.538 175.510 0.013 0.000 1.097 434 N CA 1.288 54.347 53.050 0.014 0.000 0.710 434 N CB -1.123 37.369 38.487 0.009 0.000 1.032 434 N HN 0.693 nan 8.380 nan 0.000 0.551 435 E N 0.531 120.742 120.200 0.018 0.000 2.174 435 E HA 0.341 4.691 4.350 0.000 0.000 0.282 435 E C -0.530 176.084 176.600 0.023 0.000 0.992 435 E CA -0.781 55.630 56.400 0.018 0.000 0.803 435 E CB 0.707 30.419 29.700 0.019 0.000 1.090 435 E HN 0.206 nan 8.360 nan 0.000 0.396 436 L N 5.674 126.908 121.223 0.017 0.000 2.264 436 L HA 0.362 4.702 4.340 0.000 0.000 0.289 436 L C -1.491 175.393 176.870 0.024 0.000 1.044 436 L CA -0.485 54.367 54.840 0.020 0.000 0.807 436 L CB 1.452 43.513 42.059 0.003 0.000 1.192 436 L HN 0.330 nan 8.230 nan 0.000 0.425 437 V N 7.160 127.096 119.914 0.036 0.000 2.378 437 V HA 0.496 4.616 4.120 0.000 0.000 0.288 437 V C -0.026 176.092 176.094 0.040 0.000 1.016 437 V CA -0.450 61.871 62.300 0.035 0.000 0.840 437 V CB 1.213 33.059 31.823 0.038 0.000 0.994 437 V HN 0.758 nan 8.190 nan 0.000 0.431 438 I N 1.022 121.610 120.570 0.031 0.000 2.608 438 I HA 0.672 4.843 4.170 0.000 0.000 0.295 438 I C -0.045 176.089 176.117 0.027 0.000 1.049 438 I CA -0.449 60.870 61.300 0.032 0.000 1.063 438 I CB 2.343 40.358 38.000 0.024 0.000 1.248 438 I HN 0.366 nan 8.210 nan 0.000 0.424 439 T N 4.837 119.408 114.554 0.029 0.000 2.832 439 T HA 0.310 4.661 4.350 0.000 0.000 0.296 439 T C 0.196 174.908 174.700 0.020 0.000 0.968 439 T CA -0.357 61.757 62.100 0.024 0.000 1.107 439 T CB 0.311 69.193 68.868 0.024 0.000 0.916 439 T HN 0.493 nan 8.240 nan 0.000 0.517 440 R N 2.551 123.062 120.500 0.018 0.000 2.205 440 R HA 0.376 4.716 4.340 0.000 0.000 0.342 440 R C 0.166 176.476 176.300 0.016 0.000 1.058 440 R CA -0.532 55.578 56.100 0.016 0.000 0.904 440 R CB 0.408 30.716 30.300 0.013 0.000 1.089 440 R HN 0.521 nan 8.270 nan 0.000 0.471 441 V N 0.132 120.057 119.914 0.019 0.000 2.644 441 V HA 0.749 4.869 4.120 0.000 0.000 0.295 441 V C 0.250 176.357 176.094 0.023 0.000 1.053 441 V CA -0.996 61.315 62.300 0.019 0.000 0.987 441 V CB 1.588 33.422 31.823 0.019 0.000 1.006 441 V HN 0.711 nan 8.190 nan 0.000 0.472 442 A N 4.064 126.896 122.820 0.019 0.000 2.288 442 A HA 0.754 5.074 4.320 0.000 0.000 0.320 442 A C -0.241 177.359 177.584 0.027 0.000 1.217 442 A CA -0.677 51.375 52.037 0.025 0.000 0.840 442 A CB 0.808 19.816 19.000 0.014 0.000 1.179 442 A HN 0.959 nan 8.150 nan 0.000 0.504 443 Q N 1.113 120.951 119.800 0.063 0.000 2.394 443 Q HA 0.468 4.808 4.340 0.000 0.000 0.273 443 Q C -0.715 175.354 176.000 0.115 0.000 1.089 443 Q CA -0.791 55.045 55.803 0.055 0.000 0.812 443 Q CB 2.867 31.659 28.738 0.089 0.000 1.353 443 Q HN 0.726 nan 8.270 nan 0.000 0.438 444 R N 1.623 122.132 120.500 0.014 0.000 2.346 444 R HA 0.339 4.679 4.340 0.000 0.000 0.311 444 R C -1.071 175.208 176.300 -0.034 0.000 0.983 444 R CA -0.348 55.777 56.100 0.041 0.000 0.880 444 R CB 0.851 31.134 30.300 -0.029 0.000 1.100 444 R HN 0.696 nan 8.270 nan 0.000 0.453 445 H N 5.329 124.373 119.070 -0.043 0.000 2.539 445 H HA 0.335 4.892 4.556 0.000 0.000 0.332 445 H C -0.362 174.948 175.328 -0.030 0.000 1.031 445 H CA -0.615 55.411 56.048 -0.037 0.000 1.206 445 H CB 1.766 31.518 29.762 -0.017 0.000 1.446 445 H HN 0.380 nan 8.280 nan 0.000 0.496 446 I N 4.281 124.869 120.570 0.030 0.000 2.382 446 I HA 0.064 4.234 4.170 0.000 0.000 0.285 446 I C -0.135 176.043 176.117 0.101 0.000 1.007 446 I CA -0.799 60.525 61.300 0.039 0.000 1.142 446 I CB 1.306 39.278 38.000 -0.048 0.000 1.289 446 I HN 0.351 nan 8.210 nan 0.000 0.453 447 Q N 3.969 123.835 119.800 0.111 0.000 2.306 447 Q HA 0.332 4.672 4.340 0.000 0.000 0.241 447 Q C 1.062 177.147 176.000 0.142 0.000 0.948 447 Q CA 0.080 55.953 55.803 0.116 0.000 0.886 447 Q CB 1.174 29.962 28.738 0.083 0.000 1.227 447 Q HN 0.945 nan 8.270 nan 0.000 0.457 448 G N 1.062 109.941 108.800 0.132 0.000 2.176 448 G HA2 -0.225 3.735 3.960 0.000 0.000 0.252 448 G HA3 -0.225 3.735 3.960 0.000 0.000 0.252 448 G C -0.452 174.539 174.900 0.152 0.000 1.024 448 G CA 0.040 45.206 45.100 0.110 0.000 0.755 448 G HN 0.657 nan 8.290 nan 0.000 0.507 449 W N 1.398 122.701 121.300 0.006 0.000 2.507 449 W HA 0.585 5.246 4.660 0.001 0.000 0.334 449 W C 0.179 176.698 176.519 -0.000 0.000 1.165 449 W CA -0.681 56.664 57.345 0.001 0.000 1.460 449 W CB 0.613 30.071 29.460 -0.002 0.000 1.404 449 W HN 0.248 nan 8.180 nan 0.000 0.435 450 Q N 5.757 125.304 119.800 -0.423 0.000 2.314 450 Q HA 0.185 4.525 4.340 0.000 0.000 0.257 450 Q C -0.021 175.698 176.000 -0.468 0.000 0.975 450 Q CA 0.096 55.700 55.803 -0.331 0.000 0.933 450 Q CB 0.521 29.112 28.738 -0.245 0.000 1.195 450 Q HN 0.422 nan 8.270 nan 0.000 0.426 451 R N 4.415 124.772 120.500 -0.238 0.000 2.641 451 R HA 0.288 4.629 4.340 0.000 0.000 0.269 451 R C -1.900 174.323 176.300 -0.129 0.000 1.074 451 R CA -1.596 54.414 56.100 -0.149 0.000 1.133 451 R CB -0.329 29.961 30.300 -0.016 0.000 1.029 451 R HN 0.578 nan 8.270 nan 0.000 0.488 452 P HA -0.117 nan 4.420 nan 0.000 0.269 452 P C -0.481 176.786 177.300 -0.055 0.000 1.185 452 P CA 0.786 63.841 63.100 -0.074 0.000 0.769 452 P CB 0.469 32.142 31.700 -0.045 0.000 0.809 453 I N 0.000 120.540 120.570 -0.051 0.000 2.984 453 I HA 0.000 4.170 4.170 0.000 0.000 0.288 453 I CA 0.000 61.276 61.300 -0.040 0.000 1.566 453 I CB 0.000 37.972 38.000 -0.047 0.000 1.214 453 I HN 0.000 nan 8.210 nan 0.000 0.494