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 3a8j_1_A DATA FIRST_RESID 1 DATA SEQUENCE AQQTPLYEQH TLCGARMVDF HGWMMPLHYG SQIDEHHAVR TDAGMFDVSH DATA SEQUENCE MTIVDLRGSR TREFLRYLLA NDVAKLTKSG KALYSGMLNA SGGVIDDLIV DATA SEQUENCE YYFTEDFFRL VVNSATREKD LSWITQHAEP FGIEITVRDD LSMIAVQGPN DATA SEQUENCE AQAKAATLFN DAQRQAVEGM KPFFGVQAGD LFIATTGYTG EAGYEIALPN DATA SEQUENCE EKAADFWRAL VEAGVKPCGL GARDTLRLEA GMNLYGQEMD ETISPLAANM DATA SEQUENCE GWTIAWEPAD RDFIGREALE VQREHGTEKL VGLVMTEKGV LRNELPVRFT DATA SEQUENCE DAQGNQHEGI ITSGTFSPTL GYSIALARVP EGIGETAIVQ IRNREMPVKV DATA SEQUENCE TKPVFVRNGK AVA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.439 177.584 -0.242 0.000 1.274 1 A CA 0.000 51.911 52.037 -0.210 0.000 0.836 1 A CB 0.000 18.934 19.000 -0.110 0.000 0.831 2 Q N 1.315 120.845 119.800 -0.449 0.000 2.373 2 Q HA 0.155 4.309 4.340 -0.310 0.000 0.255 2 Q C -0.023 175.937 176.000 -0.066 0.000 0.980 2 Q CA 0.120 55.665 55.803 -0.430 0.000 0.882 2 Q CB 0.921 28.973 28.738 -1.143 0.000 1.249 2 Q HN 0.769 nan 8.270 nan 0.000 0.438 3 Q N 1.330 121.145 119.800 0.025 0.000 2.323 3 Q HA 0.081 4.235 4.340 -0.310 0.000 0.257 3 Q C -0.266 175.965 176.000 0.385 0.000 1.022 3 Q CA -0.022 55.859 55.803 0.130 0.000 0.919 3 Q CB 0.743 29.417 28.738 -0.107 0.000 1.220 3 Q HN 0.554 nan 8.270 nan 0.000 0.427 4 T N 4.362 119.249 114.554 0.554 0.000 2.903 4 T HA 0.106 4.270 4.350 -0.310 0.000 0.314 4 T C -1.392 173.502 174.700 0.323 0.000 1.078 4 T CA -1.394 61.038 62.100 0.553 0.000 1.114 4 T CB 0.593 69.806 68.868 0.574 0.000 0.987 4 T HN 0.545 nan 8.240 nan 0.000 0.548 5 P HA -0.063 nan 4.420 nan 0.000 0.215 5 P C 1.442 178.769 177.300 0.045 0.000 1.153 5 P CA 1.185 64.349 63.100 0.106 0.000 0.853 5 P CB -0.038 31.684 31.700 0.036 0.000 0.788 6 L N -1.543 119.649 121.223 -0.051 0.000 2.711 6 L HA -0.047 4.107 4.340 -0.310 0.000 0.242 6 L C 2.458 179.175 176.870 -0.256 0.000 1.153 6 L CA 0.116 54.778 54.840 -0.296 0.000 0.898 6 L CB -1.058 40.601 42.059 -0.667 0.000 1.044 6 L HN -0.082 nan 8.230 nan 0.000 0.437 7 Y N 0.982 121.256 120.300 -0.042 0.000 2.128 7 Y HA -0.296 4.067 4.550 -0.311 0.000 0.284 7 Y C 2.462 178.359 175.900 -0.005 0.000 1.154 7 Y CA 1.714 59.843 58.100 0.048 0.000 1.149 7 Y CB 0.219 38.736 38.460 0.096 0.000 0.976 7 Y HN 0.208 nan 8.280 nan 0.000 0.505 8 E N 0.009 120.266 120.200 0.094 0.000 2.150 8 E HA -0.194 3.970 4.350 -0.310 0.000 0.193 8 E C 2.105 178.630 176.600 -0.125 0.000 0.985 8 E CA 0.946 57.336 56.400 -0.016 0.000 0.814 8 E CB -0.180 29.581 29.700 0.101 0.000 0.752 8 E HN 0.629 nan 8.360 nan 0.000 0.466 9 Q N -0.030 119.651 119.800 -0.199 0.000 2.079 9 Q HA -0.130 4.025 4.340 -0.310 0.000 0.200 9 Q C 2.074 177.950 176.000 -0.207 0.000 0.974 9 Q CA 1.010 56.675 55.803 -0.229 0.000 0.840 9 Q CB -0.297 28.192 28.738 -0.414 0.000 0.898 9 Q HN 0.489 nan 8.270 nan 0.000 0.430 10 H N -0.120 118.830 119.070 -0.201 0.000 2.387 10 H HA -0.061 4.309 4.556 -0.309 0.000 0.299 10 H C 2.275 177.580 175.328 -0.038 0.000 1.090 10 H CA 1.990 58.011 56.048 -0.045 0.000 1.332 10 H CB -0.406 29.264 29.762 -0.153 0.000 1.386 10 H HN 0.421 nan 8.280 nan 0.000 0.516 11 T N -0.889 113.576 114.554 -0.147 0.000 2.857 11 T HA -0.061 4.103 4.350 -0.310 0.000 0.266 11 T C 2.169 176.851 174.700 -0.031 0.000 1.048 11 T CA 0.765 62.756 62.100 -0.182 0.000 1.139 11 T CB -0.697 67.907 68.868 -0.440 0.000 0.874 11 T HN 0.267 nan 8.240 nan 0.000 0.455 12 L N 0.425 121.643 121.223 -0.008 0.000 2.127 12 L HA -0.008 4.146 4.340 -0.310 0.000 0.211 12 L C 1.746 178.678 176.870 0.103 0.000 1.089 12 L CA 1.339 56.205 54.840 0.045 0.000 0.757 12 L CB -0.538 41.549 42.059 0.046 0.000 0.899 12 L HN 0.375 nan 8.230 nan 0.000 0.434 13 C N 1.170 120.582 119.300 0.186 0.000 2.613 13 C HA 0.357 4.631 4.460 -0.310 0.000 0.273 13 C C 1.596 176.786 174.990 0.334 0.000 1.304 13 C CA 0.328 59.497 59.018 0.252 0.000 1.702 13 C CB -1.492 26.444 27.740 0.326 0.000 1.792 13 C HN 0.870 nan 8.230 nan 0.000 0.588 14 G N 0.773 109.713 108.800 0.233 0.000 2.142 14 G HA2 -0.005 3.769 3.960 -0.310 0.000 0.225 14 G HA3 -0.005 3.769 3.960 -0.310 0.000 0.225 14 G C 0.102 175.075 174.900 0.121 0.000 1.015 14 G CA 0.109 45.315 45.100 0.177 0.000 0.716 14 G HN 0.905 nan 8.290 nan 0.000 0.508 15 A N -0.418 122.410 122.820 0.013 0.000 2.462 15 A HA 0.692 4.826 4.320 -0.310 0.000 0.243 15 A C 0.705 178.117 177.584 -0.288 0.000 1.076 15 A CA 0.287 52.096 52.037 -0.381 0.000 0.773 15 A CB 0.282 19.003 19.000 -0.464 0.000 1.010 15 A HN 0.502 nan 8.150 nan 0.000 0.493 16 R N 2.121 122.370 120.500 -0.418 0.000 2.198 16 R HA 0.358 4.513 4.340 -0.310 0.000 0.339 16 R C -0.345 175.775 176.300 -0.300 0.000 1.020 16 R CA -0.252 55.645 56.100 -0.338 0.000 0.864 16 R CB 0.607 30.617 30.300 -0.484 0.000 1.105 16 R HN 0.659 nan 8.270 nan 0.000 0.463 17 M N 3.223 122.726 119.600 -0.161 0.000 2.217 17 M HA 0.258 4.553 4.480 -0.310 0.000 0.354 17 M C -0.001 176.276 176.300 -0.039 0.000 1.225 17 M CA -0.520 54.732 55.300 -0.080 0.000 1.137 17 M CB 1.000 33.619 32.600 0.032 0.000 1.576 17 M HN 0.414 nan 8.290 nan 0.000 0.461 18 V N -0.325 119.583 119.914 -0.009 0.000 3.001 18 V HA 0.576 4.510 4.120 -0.310 0.000 0.314 18 V C -0.451 175.703 176.094 0.101 0.000 1.099 18 V CA -1.193 61.129 62.300 0.036 0.000 0.989 18 V CB 2.130 33.971 31.823 0.030 0.000 1.040 18 V HN 0.739 nan 8.190 nan 0.000 0.434 19 D N 1.874 122.330 120.400 0.093 0.000 2.401 19 D HA 0.216 4.670 4.640 -0.310 0.000 0.254 19 D C -1.217 175.202 176.300 0.197 0.000 1.192 19 D CA 0.270 54.334 54.000 0.106 0.000 0.885 19 D CB 0.675 41.496 40.800 0.034 0.000 1.147 19 D HN 0.608 nan 8.370 nan 0.000 0.478 20 F N 5.566 125.555 119.950 0.065 0.000 2.646 20 F HA 0.213 4.542 4.527 -0.329 0.000 0.364 20 F C -0.217 175.698 175.800 0.191 0.000 1.137 20 F CA -0.631 57.423 58.000 0.090 0.000 1.085 20 F CB 0.122 39.226 39.000 0.173 0.000 1.331 20 F HN 0.461 nan 8.300 nan 0.000 0.472 21 H N 3.998 122.877 119.070 -0.317 0.000 2.527 21 H HA -0.195 4.179 4.556 -0.304 0.000 0.321 21 H C 1.419 176.685 175.328 -0.103 0.000 1.092 21 H CA 1.236 57.136 56.048 -0.247 0.000 1.118 21 H CB -1.140 28.391 29.762 -0.385 0.000 1.536 21 H HN 1.182 nan 8.280 nan 0.000 0.407 22 G N -1.507 107.259 108.800 -0.057 0.000 2.195 22 G HA2 -0.279 3.495 3.960 -0.310 0.000 0.246 22 G HA3 -0.279 3.495 3.960 -0.310 0.000 0.246 22 G C -0.135 174.540 174.900 -0.375 0.000 0.984 22 G CA 0.254 45.229 45.100 -0.209 0.000 0.633 22 G HN 0.441 nan 8.290 nan 0.000 0.525 23 W N 0.713 121.983 121.300 -0.051 0.000 2.656 23 W HA 0.790 5.267 4.660 -0.307 0.000 0.327 23 W C 0.263 176.812 176.519 0.050 0.000 1.041 23 W CA -1.305 55.996 57.345 -0.073 0.000 1.229 23 W CB 1.077 30.364 29.460 -0.288 0.000 1.397 23 W HN -0.119 nan 8.180 nan 0.000 0.479 24 M N 4.968 124.728 119.600 0.266 0.000 2.364 24 M HA 0.166 4.460 4.480 -0.310 0.000 0.342 24 M C -0.441 176.015 176.300 0.259 0.000 1.601 24 M CA 0.384 55.819 55.300 0.225 0.000 1.156 24 M CB -0.563 32.153 32.600 0.194 0.000 1.912 24 M HN 0.269 nan 8.290 nan 0.000 0.460 25 M N 5.328 125.044 119.600 0.193 0.000 2.602 25 M HA 0.565 4.859 4.480 -0.310 0.000 0.312 25 M C -2.292 173.956 176.300 -0.087 0.000 1.181 25 M CA -3.082 52.274 55.300 0.093 0.000 0.910 25 M CB 1.682 34.386 32.600 0.173 0.000 1.723 25 M HN 0.140 nan 8.290 nan 0.000 0.459 26 P HA 0.124 nan 4.420 nan 0.000 0.271 26 P C 0.541 177.668 177.300 -0.290 0.000 1.226 26 P CA -0.228 62.608 63.100 -0.439 0.000 0.765 26 P CB 0.506 31.716 31.700 -0.817 0.000 0.835 27 L N 4.774 125.826 121.223 -0.285 0.000 2.162 27 L HA 0.107 4.261 4.340 -0.310 0.000 0.205 27 L C 0.533 177.368 176.870 -0.059 0.000 1.086 27 L CA 1.703 56.451 54.840 -0.153 0.000 0.778 27 L CB -0.580 41.393 42.059 -0.143 0.000 0.928 27 L HN 0.646 nan 8.230 nan 0.000 0.446 28 H N -5.897 113.078 119.070 -0.158 0.000 2.876 28 H HA 0.308 4.676 4.556 -0.312 0.000 0.284 28 H C -1.415 173.769 175.328 -0.240 0.000 1.445 28 H CA -0.929 55.078 56.048 -0.068 0.000 1.141 28 H CB -0.273 29.519 29.762 0.050 0.000 1.816 28 H HN -0.128 nan 8.280 nan 0.000 0.511 29 Y N 0.132 120.606 120.300 0.291 0.000 2.720 29 Y HA 0.564 4.925 4.550 -0.314 0.000 0.268 29 Y C 1.376 177.431 175.900 0.258 0.000 1.142 29 Y CA 0.356 58.575 58.100 0.197 0.000 1.193 29 Y CB 1.174 39.716 38.460 0.136 0.000 1.176 29 Y HN 1.142 nan 8.280 nan 0.000 0.542 30 G N -0.458 108.704 108.800 0.603 0.000 3.465 30 G HA2 -0.129 3.645 3.960 -0.310 0.000 0.196 30 G HA3 -0.129 3.645 3.960 -0.310 0.000 0.196 30 G C -0.060 174.819 174.900 -0.034 0.000 1.170 30 G CA 0.039 45.286 45.100 0.245 0.000 0.887 30 G HN 0.312 nan 8.290 nan 0.000 0.444 31 S N 0.571 116.217 115.700 -0.089 0.000 2.545 31 S HA 0.436 4.720 4.470 -0.310 0.000 0.259 31 S C 0.883 175.430 174.600 -0.089 0.000 1.092 31 S CA 0.810 58.904 58.200 -0.176 0.000 1.054 31 S CB 0.986 64.148 63.200 -0.064 0.000 1.146 31 S HN 0.892 nan 8.310 nan 0.000 0.447 32 Q N 4.499 124.203 119.800 -0.159 0.000 2.224 32 Q HA -0.046 4.108 4.340 -0.310 0.000 0.203 32 Q C 1.272 177.332 176.000 0.099 0.000 0.970 32 Q CA 1.202 57.034 55.803 0.049 0.000 0.865 32 Q CB -0.216 28.567 28.738 0.074 0.000 0.922 32 Q HN 0.720 nan 8.270 nan 0.000 0.445 33 I N 1.729 122.324 120.570 0.042 0.000 2.202 33 I HA -0.212 3.772 4.170 -0.310 0.000 0.242 33 I C 1.885 178.079 176.117 0.128 0.000 1.091 33 I CA 1.713 63.058 61.300 0.075 0.000 1.368 33 I CB -1.050 36.958 38.000 0.012 0.000 1.058 33 I HN 0.328 nan 8.210 nan 0.000 0.410 34 D N 0.929 121.375 120.400 0.077 0.000 2.144 34 D HA -0.191 4.263 4.640 -0.310 0.000 0.199 34 D C 2.089 178.479 176.300 0.150 0.000 0.984 34 D CA 1.223 55.281 54.000 0.097 0.000 0.834 34 D CB 0.155 40.978 40.800 0.039 0.000 0.955 34 D HN 0.346 nan 8.370 nan 0.000 0.465 35 E N -1.332 118.951 120.200 0.138 0.000 2.072 35 E HA -0.197 3.967 4.350 -0.310 0.000 0.191 35 E C 1.858 178.557 176.600 0.165 0.000 0.985 35 E CA 0.923 57.396 56.400 0.122 0.000 0.801 35 E CB -0.164 29.622 29.700 0.144 0.000 0.750 35 E HN 0.520 nan 8.360 nan 0.000 0.452 36 H N -0.296 118.850 119.070 0.128 0.000 2.321 36 H HA -0.196 4.175 4.556 -0.309 0.000 0.300 36 H C 2.219 177.607 175.328 0.100 0.000 1.087 36 H CA 2.194 58.318 56.048 0.127 0.000 1.319 36 H CB -0.014 29.819 29.762 0.118 0.000 1.379 36 H HN 0.196 nan 8.280 nan 0.000 0.501 37 H N -0.173 119.029 119.070 0.219 0.000 2.319 37 H HA -0.125 4.246 4.556 -0.309 0.000 0.299 37 H C 2.227 177.576 175.328 0.036 0.000 1.092 37 H CA 1.935 58.058 56.048 0.125 0.000 1.302 37 H CB -0.487 29.326 29.762 0.086 0.000 1.373 37 H HN 0.473 nan 8.280 nan 0.000 0.497 38 A N -0.137 122.716 122.820 0.054 0.000 1.917 38 A HA -0.165 3.969 4.320 -0.310 0.000 0.219 38 A C 2.667 180.194 177.584 -0.094 0.000 1.182 38 A CA 1.961 53.979 52.037 -0.033 0.000 0.633 38 A CB -0.947 18.043 19.000 -0.017 0.000 0.819 38 A HN 0.358 nan 8.150 nan 0.000 0.448 39 V N -0.203 119.666 119.914 -0.076 0.000 2.488 39 V HA -0.144 3.791 4.120 -0.310 0.000 0.246 39 V C 2.588 178.610 176.094 -0.119 0.000 1.046 39 V CA 1.625 63.884 62.300 -0.068 0.000 1.053 39 V CB -0.709 31.117 31.823 0.005 0.000 0.679 39 V HN 0.452 nan 8.190 nan 0.000 0.458 40 R N 0.643 121.040 120.500 -0.173 0.000 2.148 40 R HA -0.068 4.086 4.340 -0.310 0.000 0.227 40 R C 2.079 178.274 176.300 -0.174 0.000 1.103 40 R CA 1.803 57.804 56.100 -0.164 0.000 0.983 40 R CB -0.472 29.746 30.300 -0.136 0.000 0.874 40 R HN 0.720 nan 8.270 nan 0.000 0.451 41 T N -4.088 110.324 114.554 -0.236 0.000 3.004 41 T HA 0.135 4.299 4.350 -0.310 0.000 0.266 41 T C 0.470 175.080 174.700 -0.150 0.000 0.986 41 T CA 0.006 61.972 62.100 -0.224 0.000 0.902 41 T CB 0.623 69.267 68.868 -0.372 0.000 1.118 41 T HN 0.025 nan 8.240 nan 0.000 0.522 42 D N 1.359 121.679 120.400 -0.133 0.000 2.295 42 D HA 0.573 5.027 4.640 -0.310 0.000 0.088 42 D C -1.246 174.993 176.300 -0.101 0.000 1.406 42 D CA 0.643 54.581 54.000 -0.102 0.000 1.347 42 D CB 0.714 41.462 40.800 -0.088 0.000 2.470 42 D HN 0.453 nan 8.370 nan 0.000 0.195 43 A N -0.109 122.648 122.820 -0.104 0.000 2.513 43 A HA 0.702 4.837 4.320 -0.310 0.000 0.296 43 A C -0.329 177.174 177.584 -0.135 0.000 1.052 43 A CA -0.001 51.969 52.037 -0.111 0.000 0.714 43 A CB 1.534 20.460 19.000 -0.124 0.000 1.279 43 A HN 0.511 nan 8.150 nan 0.000 0.397 44 G N 0.667 109.387 108.800 -0.133 0.000 2.658 44 G HA2 0.860 4.634 3.960 -0.310 0.000 0.292 44 G HA3 0.860 4.634 3.960 -0.310 0.000 0.292 44 G C -0.604 174.113 174.900 -0.305 0.000 1.320 44 G CA -0.295 44.661 45.100 -0.241 0.000 0.933 44 G HN 1.653 nan 8.290 nan 0.000 0.476 45 M N -0.879 118.398 119.600 -0.538 0.000 2.569 45 M HA 0.831 5.125 4.480 -0.310 0.000 0.279 45 M C -2.163 173.872 176.300 -0.442 0.000 1.253 45 M CA -0.828 54.257 55.300 -0.358 0.000 0.867 45 M CB 2.518 34.905 32.600 -0.355 0.000 1.727 45 M HN 0.313 nan 8.290 nan 0.000 0.467 46 F N 0.021 120.142 119.950 0.285 0.000 2.578 46 F HA 0.421 4.792 4.527 -0.261 0.000 0.311 46 F C -0.597 175.495 175.800 0.487 0.000 1.094 46 F CA -0.589 57.647 58.000 0.394 0.000 0.923 46 F CB 1.603 40.752 39.000 0.248 0.000 1.230 46 F HN 0.638 nan 8.300 nan 0.000 0.450 47 D N 2.219 122.986 120.400 0.612 0.000 2.352 47 D HA 0.265 4.719 4.640 -0.310 0.000 0.245 47 D C 0.239 176.690 176.300 0.251 0.000 1.224 47 D CA 0.032 54.261 54.000 0.381 0.000 0.879 47 D CB 1.218 42.147 40.800 0.214 0.000 1.057 47 D HN 0.367 nan 8.370 nan 0.000 0.491 48 V N 1.473 121.506 119.914 0.199 0.000 2.982 48 V HA 0.214 4.149 4.120 -0.310 0.000 0.368 48 V C 1.288 177.365 176.094 -0.028 0.000 1.350 48 V CA -0.388 61.979 62.300 0.112 0.000 1.251 48 V CB -0.042 31.863 31.823 0.137 0.000 1.284 48 V HN 0.305 nan 8.190 nan 0.000 0.533 49 S N 0.712 116.301 115.700 -0.186 0.000 2.474 49 S HA -0.045 4.239 4.470 -0.310 0.000 0.235 49 S C 1.429 175.690 174.600 -0.564 0.000 0.997 49 S CA 1.079 59.056 58.200 -0.371 0.000 0.949 49 S CB -0.462 62.436 63.200 -0.503 0.000 0.766 49 S HN 0.848 nan 8.310 nan 0.000 0.517 50 H N 0.316 119.277 119.070 -0.182 0.000 2.526 50 H HA 0.269 4.637 4.556 -0.314 0.000 0.274 50 H C 0.368 175.653 175.328 -0.072 0.000 0.999 50 H CA 0.059 55.956 56.048 -0.253 0.000 1.157 50 H CB -0.149 29.332 29.762 -0.467 0.000 1.407 50 H HN 0.335 nan 8.280 nan 0.000 0.568 51 M N 1.114 120.725 119.600 0.018 0.000 2.250 51 M HA 0.049 4.343 4.480 -0.310 0.000 0.325 51 M C 0.616 176.931 176.300 0.024 0.000 1.084 51 M CA 0.543 55.861 55.300 0.031 0.000 1.161 51 M CB 0.051 32.669 32.600 0.029 0.000 1.481 51 M HN -0.110 nan 8.290 nan 0.000 0.449 52 T N 3.460 118.037 114.554 0.037 0.000 2.794 52 T HA 0.663 4.827 4.350 -0.310 0.000 0.280 52 T C 0.086 174.811 174.700 0.041 0.000 0.987 52 T CA -0.476 61.649 62.100 0.041 0.000 0.993 52 T CB 0.918 69.820 68.868 0.056 0.000 0.939 52 T HN 0.418 nan 8.240 nan 0.000 0.449 53 I N 3.163 123.753 120.570 0.032 0.000 2.336 53 I HA 0.442 4.426 4.170 -0.310 0.000 0.292 53 I C -0.556 175.589 176.117 0.046 0.000 0.991 53 I CA -0.778 60.539 61.300 0.029 0.000 1.227 53 I CB 1.493 39.484 38.000 -0.014 0.000 1.366 53 I HN 0.257 nan 8.210 nan 0.000 0.466 54 V N 5.227 125.184 119.914 0.071 0.000 2.407 54 V HA 0.328 4.262 4.120 -0.310 0.000 0.291 54 V C -0.716 175.465 176.094 0.144 0.000 1.018 54 V CA -0.793 61.566 62.300 0.098 0.000 0.842 54 V CB 1.648 33.533 31.823 0.103 0.000 0.996 54 V HN 0.556 nan 8.190 nan 0.000 0.426 55 D N 4.705 125.210 120.400 0.174 0.000 2.225 55 D HA 0.613 5.067 4.640 -0.310 0.000 0.248 55 D C -0.477 175.989 176.300 0.276 0.000 1.096 55 D CA 0.016 54.200 54.000 0.306 0.000 0.863 55 D CB 2.024 43.021 40.800 0.329 0.000 1.156 55 D HN 0.339 nan 8.370 nan 0.000 0.450 56 L N 2.676 124.125 121.223 0.377 0.000 2.381 56 L HA 0.545 4.699 4.340 -0.310 0.000 0.274 56 L C 0.184 177.280 176.870 0.377 0.000 0.988 56 L CA -0.681 54.340 54.840 0.302 0.000 0.824 56 L CB 1.795 44.030 42.059 0.293 0.000 1.263 56 L HN 0.077 nan 8.230 nan 0.000 0.410 57 R N 1.622 122.254 120.500 0.221 0.000 2.744 57 R HA 0.882 5.037 4.340 -0.310 0.000 0.279 57 R C -0.577 175.804 176.300 0.135 0.000 0.977 57 R CA -0.854 55.360 56.100 0.190 0.000 0.906 57 R CB 2.549 32.865 30.300 0.026 0.000 1.197 57 R HN 0.822 nan 8.270 nan 0.000 0.463 58 G N -0.290 108.599 108.800 0.149 0.000 2.326 58 G HA2 -0.113 3.662 3.960 -0.310 0.000 0.413 58 G HA3 -0.113 3.662 3.960 -0.310 0.000 0.413 58 G C 0.191 175.179 174.900 0.146 0.000 1.444 58 G CA -0.242 44.926 45.100 0.113 0.000 1.002 58 G HN 0.549 nan 8.290 nan 0.000 0.649 59 S N -0.562 115.210 115.700 0.120 0.000 2.447 59 S HA -0.028 4.257 4.470 -0.310 0.000 0.233 59 S C 1.617 176.301 174.600 0.141 0.000 1.006 59 S CA 1.250 59.527 58.200 0.129 0.000 0.957 59 S CB -0.011 63.247 63.200 0.097 0.000 0.773 59 S HN 0.659 nan 8.310 nan 0.000 0.507 60 R N 0.738 121.323 120.500 0.142 0.000 2.427 60 R HA 0.245 4.399 4.340 -0.310 0.000 0.262 60 R C 1.186 177.564 176.300 0.129 0.000 0.943 60 R CA 0.392 56.591 56.100 0.166 0.000 1.081 60 R CB -0.239 30.205 30.300 0.240 0.000 1.166 60 R HN 0.363 nan 8.270 nan 0.000 0.534 61 T N 1.131 115.757 114.554 0.120 0.000 2.708 61 T HA -0.194 3.971 4.350 -0.310 0.000 0.266 61 T C 1.783 176.357 174.700 -0.210 0.000 1.037 61 T CA 1.271 63.406 62.100 0.057 0.000 1.146 61 T CB -0.055 68.918 68.868 0.174 0.000 0.865 61 T HN 0.312 nan 8.240 nan 0.000 0.435 62 R N 0.973 121.361 120.500 -0.187 0.000 2.073 62 R HA -0.125 4.030 4.340 -0.310 0.000 0.234 62 R C 2.520 178.678 176.300 -0.235 0.000 1.134 62 R CA 1.862 57.749 56.100 -0.354 0.000 0.952 62 R CB -0.247 30.067 30.300 0.024 0.000 0.850 62 R HN 0.547 nan 8.270 nan 0.000 0.433 63 E N -0.319 119.833 120.200 -0.080 0.000 2.097 63 E HA -0.258 3.906 4.350 -0.310 0.000 0.196 63 E C 1.796 178.273 176.600 -0.205 0.000 1.000 63 E CA 1.541 57.908 56.400 -0.055 0.000 0.804 63 E CB -0.324 29.425 29.700 0.082 0.000 0.740 63 E HN 0.391 nan 8.360 nan 0.000 0.454 64 F N 1.513 121.134 119.950 -0.550 0.000 2.095 64 F HA -0.179 4.164 4.527 -0.307 0.000 0.298 64 F C 1.919 177.423 175.800 -0.495 0.000 1.104 64 F CA 1.535 58.962 58.000 -0.955 0.000 1.232 64 F CB -0.520 37.995 39.000 -0.808 0.000 0.987 64 F HN 0.018 nan 8.300 nan 0.000 0.475 65 L N 0.086 120.866 121.223 -0.738 0.000 2.093 65 L HA -0.166 3.988 4.340 -0.310 0.000 0.208 65 L C 2.651 179.208 176.870 -0.522 0.000 1.085 65 L CA 1.268 55.634 54.840 -0.790 0.000 0.755 65 L CB -0.615 41.032 42.059 -0.687 0.000 0.904 65 L HN 0.054 nan 8.230 nan 0.000 0.435 66 R N -1.304 118.984 120.500 -0.352 0.000 2.193 66 R HA -0.206 3.948 4.340 -0.310 0.000 0.229 66 R C 2.100 178.357 176.300 -0.071 0.000 1.110 66 R CA 1.369 57.352 56.100 -0.195 0.000 0.988 66 R CB -0.276 29.962 30.300 -0.104 0.000 0.871 66 R HN 0.336 nan 8.270 nan 0.000 0.458 67 Y N 0.537 120.687 120.300 -0.249 0.000 2.301 67 Y HA -0.035 4.332 4.550 -0.306 0.000 0.295 67 Y C 1.904 177.702 175.900 -0.170 0.000 1.119 67 Y CA 0.568 58.589 58.100 -0.131 0.000 1.162 67 Y CB -0.139 38.275 38.460 -0.076 0.000 1.046 67 Y HN -0.082 nan 8.280 nan 0.000 0.538 68 L N 0.209 121.110 121.223 -0.537 0.000 2.141 68 L HA 0.048 4.203 4.340 -0.310 0.000 0.209 68 L C 0.004 176.625 176.870 -0.415 0.000 1.094 68 L CA 1.421 55.910 54.840 -0.586 0.000 0.763 68 L CB -0.280 41.260 42.059 -0.865 0.000 0.908 68 L HN 0.112 nan 8.230 nan 0.000 0.437 69 L N -2.046 118.915 121.223 -0.437 0.000 2.333 69 L HA 0.487 4.641 4.340 -0.310 0.000 0.269 69 L C 1.066 177.528 176.870 -0.680 0.000 1.010 69 L CA -0.083 54.477 54.840 -0.466 0.000 0.818 69 L CB 1.538 43.325 42.059 -0.453 0.000 1.306 69 L HN -0.128 nan 8.230 nan 0.000 0.430 70 A N 1.052 123.382 122.820 -0.817 0.000 2.030 70 A HA 0.023 4.157 4.320 -0.310 0.000 0.215 70 A C 0.989 177.876 177.584 -1.160 0.000 1.164 70 A CA 0.470 51.652 52.037 -1.425 0.000 0.697 70 A CB -0.241 18.207 19.000 -0.919 0.000 0.827 70 A HN 0.739 nan 8.150 nan 0.000 0.457 71 N N 0.580 118.823 118.700 -0.762 0.000 2.347 71 N HA 0.165 4.719 4.740 -0.310 0.000 0.253 71 N C -1.385 173.819 175.510 -0.509 0.000 1.274 71 N CA -0.083 52.615 53.050 -0.587 0.000 0.941 71 N CB 0.617 38.814 38.487 -0.483 0.000 1.200 71 N HN 0.148 nan 8.380 nan 0.000 0.514 72 D N 0.282 120.467 120.400 -0.357 0.000 2.471 72 D HA 0.149 4.604 4.640 -0.310 0.000 0.245 72 D C 0.965 177.147 176.300 -0.197 0.000 1.116 72 D CA -0.588 53.252 54.000 -0.265 0.000 0.853 72 D CB 0.955 41.641 40.800 -0.191 0.000 1.123 72 D HN 0.260 nan 8.370 nan 0.000 0.540 73 V N 2.466 122.270 119.914 -0.183 0.000 3.078 73 V HA 0.001 3.935 4.120 -0.310 0.000 0.265 73 V C 2.035 178.089 176.094 -0.068 0.000 1.122 73 V CA 1.420 63.663 62.300 -0.096 0.000 1.141 73 V CB -0.955 30.837 31.823 -0.051 0.000 0.735 73 V HN 0.492 nan 8.190 nan 0.000 0.498 74 A N 1.119 123.884 122.820 -0.091 0.000 1.986 74 A HA -0.229 3.905 4.320 -0.310 0.000 0.220 74 A C 2.243 179.762 177.584 -0.108 0.000 1.171 74 A CA 2.204 54.190 52.037 -0.085 0.000 0.640 74 A CB -0.601 18.363 19.000 -0.060 0.000 0.811 74 A HN 0.653 nan 8.150 nan 0.000 0.451 75 K N -0.460 119.876 120.400 -0.108 0.000 2.360 75 K HA 0.014 4.148 4.320 -0.310 0.000 0.201 75 K C -0.237 176.284 176.600 -0.132 0.000 1.046 75 K CA 0.338 56.563 56.287 -0.104 0.000 0.945 75 K CB -0.362 32.082 32.500 -0.095 0.000 0.750 75 K HN 0.478 nan 8.250 nan 0.000 0.464 76 L N 2.277 123.392 121.223 -0.181 0.000 2.385 76 L HA 0.078 4.232 4.340 -0.310 0.000 0.285 76 L C 1.126 177.704 176.870 -0.487 0.000 1.125 76 L CA -0.272 54.416 54.840 -0.253 0.000 0.890 76 L CB 0.301 42.244 42.059 -0.193 0.000 1.251 76 L HN 0.128 nan 8.230 nan 0.000 0.445 77 T N -1.640 112.762 114.554 -0.254 0.000 3.023 77 T HA 0.099 4.264 4.350 -0.310 0.000 0.253 77 T C 0.452 175.160 174.700 0.014 0.000 1.038 77 T CA -0.272 61.705 62.100 -0.205 0.000 0.962 77 T CB 0.325 69.148 68.868 -0.075 0.000 1.018 77 T HN 0.369 nan 8.240 nan 0.000 0.521 78 K N 1.536 122.032 120.400 0.160 0.000 2.270 78 K HA 0.556 4.690 4.320 -0.310 0.000 0.255 78 K C -0.324 176.590 176.600 0.523 0.000 0.936 78 K CA -0.548 55.948 56.287 0.349 0.000 0.809 78 K CB 1.870 34.594 32.500 0.374 0.000 1.131 78 K HN 0.016 nan 8.250 nan 0.000 0.427 79 S N 2.352 118.307 115.700 0.425 0.000 2.563 79 S HA 0.209 4.493 4.470 -0.310 0.000 0.294 79 S C 1.081 175.887 174.600 0.343 0.000 1.279 79 S CA 1.738 60.076 58.200 0.230 0.000 1.069 79 S CB -0.334 62.929 63.200 0.104 0.000 0.828 79 S HN 0.965 nan 8.310 nan 0.000 0.497 80 G N 3.419 112.388 108.800 0.282 0.000 2.225 80 G HA2 -0.258 3.516 3.960 -0.310 0.000 0.254 80 G HA3 -0.258 3.516 3.960 -0.310 0.000 0.254 80 G C 0.102 175.191 174.900 0.317 0.000 0.988 80 G CA 0.469 45.830 45.100 0.436 0.000 0.625 80 G HN 0.815 nan 8.290 nan 0.000 0.527 81 K N 1.524 121.983 120.400 0.098 0.000 2.448 81 K HA 0.634 4.768 4.320 -0.310 0.000 0.278 81 K C 0.485 176.981 176.600 -0.174 0.000 1.009 81 K CA 0.898 56.944 56.287 -0.402 0.000 0.995 81 K CB 0.545 32.856 32.500 -0.315 0.000 0.917 81 K HN 0.979 nan 8.250 nan 0.000 0.481 82 A N 3.668 126.354 122.820 -0.224 0.000 2.384 82 A HA 0.789 4.923 4.320 -0.310 0.000 0.312 82 A C -1.475 176.128 177.584 0.033 0.000 1.113 82 A CA -0.804 51.105 52.037 -0.213 0.000 0.779 82 A CB 0.687 19.366 19.000 -0.536 0.000 1.307 82 A HN 0.635 nan 8.150 nan 0.000 0.436 83 L N -1.696 119.533 121.223 0.010 0.000 2.409 83 L HA 0.783 4.937 4.340 -0.310 0.000 0.255 83 L C -0.858 176.084 176.870 0.120 0.000 1.027 83 L CA -0.937 53.930 54.840 0.045 0.000 0.834 83 L CB 1.061 43.057 42.059 -0.105 0.000 1.426 83 L HN 0.661 nan 8.230 nan 0.000 0.411 84 Y N 0.449 120.715 120.300 -0.057 0.000 2.323 84 Y HA 0.801 5.170 4.550 -0.302 0.000 0.331 84 Y C -0.102 175.646 175.900 -0.254 0.000 1.092 84 Y CA -0.094 57.972 58.100 -0.057 0.000 1.150 84 Y CB 1.591 40.047 38.460 -0.007 0.000 1.200 84 Y HN 1.005 nan 8.280 nan 0.000 0.472 85 S N 3.285 118.523 115.700 -0.769 0.000 2.570 85 S HA 0.757 5.041 4.470 -0.310 0.000 0.270 85 S C -0.733 173.402 174.600 -0.775 0.000 1.149 85 S CA -0.242 57.500 58.200 -0.763 0.000 0.837 85 S CB 0.960 63.857 63.200 -0.506 0.000 1.124 85 S HN 1.218 nan 8.310 nan 0.000 0.465 86 G N 1.399 109.806 108.800 -0.654 0.000 2.451 86 G HA2 0.597 4.371 3.960 -0.310 0.000 0.303 86 G HA3 0.597 4.371 3.960 -0.310 0.000 0.303 86 G C -0.854 173.810 174.900 -0.394 0.000 1.166 86 G CA -0.591 44.229 45.100 -0.466 0.000 0.884 86 G HN 0.732 nan 8.290 nan 0.000 0.514 87 M N 1.866 121.274 119.600 -0.320 0.000 2.085 87 M HA 0.510 4.804 4.480 -0.310 0.000 0.309 87 M C -1.262 174.865 176.300 -0.288 0.000 0.947 87 M CA -0.569 54.558 55.300 -0.288 0.000 0.918 87 M CB 0.974 33.419 32.600 -0.257 0.000 1.504 87 M HN 0.281 nan 8.290 nan 0.000 0.420 88 L N 3.353 124.442 121.223 -0.224 0.000 2.334 88 L HA 0.580 4.734 4.340 -0.310 0.000 0.270 88 L C 0.005 176.733 176.870 -0.237 0.000 1.018 88 L CA -1.172 53.551 54.840 -0.195 0.000 0.811 88 L CB 1.547 43.557 42.059 -0.082 0.000 1.271 88 L HN 0.731 nan 8.230 nan 0.000 0.443 89 N N 0.517 119.066 118.700 -0.252 0.000 2.418 89 N HA 0.277 4.831 4.740 -0.310 0.000 0.283 89 N C 0.535 176.046 175.510 0.002 0.000 1.267 89 N CA -0.168 52.758 53.050 -0.207 0.000 0.975 89 N CB 0.500 38.834 38.487 -0.256 0.000 1.167 89 N HN 0.621 nan 8.380 nan 0.000 0.581 90 A N -0.847 122.034 122.820 0.101 0.000 2.067 90 A HA -0.078 4.056 4.320 -0.310 0.000 0.219 90 A C 1.661 179.275 177.584 0.050 0.000 1.158 90 A CA 1.512 53.609 52.037 0.100 0.000 0.661 90 A CB -1.104 17.985 19.000 0.148 0.000 0.801 90 A HN 0.789 nan 8.150 nan 0.000 0.452 91 S N -2.130 113.590 115.700 0.034 0.000 2.597 91 S HA 0.417 4.701 4.470 -0.310 0.000 0.224 91 S C 1.226 175.836 174.600 0.018 0.000 0.955 91 S CA 0.920 59.137 58.200 0.029 0.000 0.933 91 S CB -0.279 62.941 63.200 0.033 0.000 0.788 91 S HN 1.839 nan 8.310 nan 0.000 0.488 92 G N 0.032 108.834 108.800 0.003 0.000 2.159 92 G HA2 -0.120 3.654 3.960 -0.310 0.000 0.256 92 G HA3 -0.120 3.654 3.960 -0.310 0.000 0.256 92 G C 0.428 175.325 174.900 -0.005 0.000 0.977 92 G CA -0.203 44.901 45.100 0.006 0.000 0.652 92 G HN 1.108 nan 8.290 nan 0.000 0.531 93 G N -1.118 107.669 108.800 -0.022 0.000 2.504 93 G HA2 0.631 4.405 3.960 -0.310 0.000 0.288 93 G HA3 0.631 4.405 3.960 -0.310 0.000 0.288 93 G C 0.038 174.907 174.900 -0.052 0.000 1.182 93 G CA -0.001 45.085 45.100 -0.023 0.000 0.894 93 G HN 0.918 nan 8.290 nan 0.000 0.521 94 V N 1.563 121.473 119.914 -0.007 0.000 2.432 94 V HA 0.156 4.090 4.120 -0.310 0.000 0.271 94 V C 1.059 177.188 176.094 0.059 0.000 1.046 94 V CA -0.147 62.162 62.300 0.016 0.000 0.945 94 V CB 1.039 32.926 31.823 0.107 0.000 0.992 94 V HN 0.679 nan 8.190 nan 0.000 0.471 95 I N 1.999 122.453 120.570 -0.193 0.000 2.400 95 I HA 0.133 4.118 4.170 -0.310 0.000 0.248 95 I C 0.693 176.451 176.117 -0.598 0.000 1.109 95 I CA 1.127 62.212 61.300 -0.358 0.000 1.425 95 I CB 0.297 37.903 38.000 -0.658 0.000 1.094 95 I HN 0.642 nan 8.210 nan 0.000 0.425 96 D N -0.695 119.402 120.400 -0.505 0.000 2.710 96 D HA 0.168 4.622 4.640 -0.310 0.000 0.276 96 D C -1.991 174.133 176.300 -0.294 0.000 1.267 96 D CA -0.494 53.131 54.000 -0.625 0.000 0.772 96 D CB 1.635 42.122 40.800 -0.523 0.000 1.299 96 D HN -0.006 nan 8.370 nan 0.000 0.421 97 D N 0.218 120.512 120.400 -0.177 0.000 2.299 97 D HA 0.688 5.142 4.640 -0.310 0.000 0.243 97 D C -0.317 175.909 176.300 -0.123 0.000 0.982 97 D CA -0.511 53.380 54.000 -0.181 0.000 0.924 97 D CB 1.607 42.372 40.800 -0.059 0.000 1.238 97 D HN 0.372 nan 8.370 nan 0.000 0.484 98 L N -2.764 118.366 121.223 -0.155 0.000 2.892 98 L HA 0.621 4.776 4.340 -0.310 0.000 0.269 98 L C -1.533 175.331 176.870 -0.010 0.000 1.058 98 L CA -1.085 53.719 54.840 -0.060 0.000 0.923 98 L CB 0.941 42.940 42.059 -0.099 0.000 1.518 98 L HN 0.312 nan 8.230 nan 0.000 0.402 99 I N 1.534 122.111 120.570 0.013 0.000 2.493 99 I HA 0.758 4.742 4.170 -0.310 0.000 0.298 99 I C -0.527 175.513 176.117 -0.128 0.000 0.998 99 I CA -0.831 60.451 61.300 -0.030 0.000 1.137 99 I CB 1.908 39.865 38.000 -0.072 0.000 1.310 99 I HN 0.622 nan 8.210 nan 0.000 0.445 100 V N 7.183 126.967 119.914 -0.217 0.000 2.789 100 V HA 0.566 4.500 4.120 -0.310 0.000 0.311 100 V C -1.717 174.191 176.094 -0.309 0.000 1.073 100 V CA -0.364 61.840 62.300 -0.160 0.000 0.921 100 V CB 2.272 34.048 31.823 -0.078 0.000 1.009 100 V HN 0.550 nan 8.190 nan 0.000 0.426 101 Y N 5.197 125.407 120.300 -0.151 0.000 2.429 101 Y HA 0.557 4.923 4.550 -0.307 0.000 0.342 101 Y C -0.560 174.958 175.900 -0.637 0.000 1.004 101 Y CA -0.584 57.298 58.100 -0.364 0.000 1.075 101 Y CB 1.837 39.958 38.460 -0.564 0.000 1.214 101 Y HN 0.757 nan 8.280 nan 0.000 0.455 102 Y N 2.992 122.931 120.300 -0.603 0.000 2.326 102 Y HA 0.420 4.782 4.550 -0.313 0.000 0.337 102 Y C -0.884 174.511 175.900 -0.842 0.000 1.023 102 Y CA -1.146 56.354 58.100 -1.000 0.000 1.143 102 Y CB 0.436 38.532 38.460 -0.607 0.000 1.183 102 Y HN 0.575 nan 8.280 nan 0.000 0.485 103 F N 1.338 120.605 119.950 -1.139 0.000 2.532 103 F HA 0.254 4.595 4.527 -0.310 0.000 0.278 103 F C 1.020 176.207 175.800 -1.020 0.000 0.975 103 F CA 0.712 58.161 58.000 -0.918 0.000 1.292 103 F CB -0.362 38.169 39.000 -0.783 0.000 1.112 103 F HN 0.487 nan 8.300 nan 0.000 0.703 104 T N -3.231 110.950 114.554 -0.621 0.000 2.838 104 T HA 0.298 4.462 4.350 -0.310 0.000 0.292 104 T C 0.713 175.370 174.700 -0.072 0.000 1.113 104 T CA -0.563 61.347 62.100 -0.317 0.000 1.008 104 T CB 2.072 70.953 68.868 0.020 0.000 1.259 104 T HN -0.095 nan 8.240 nan 0.000 0.520 105 E N 0.505 120.834 120.200 0.214 0.000 2.171 105 E HA -0.130 4.034 4.350 -0.310 0.000 0.197 105 E C 0.438 177.295 176.600 0.428 0.000 0.997 105 E CA 1.465 58.093 56.400 0.380 0.000 0.810 105 E CB -0.116 29.749 29.700 0.276 0.000 0.738 105 E HN 0.614 nan 8.360 nan 0.000 0.467 106 D N -1.197 119.398 120.400 0.325 0.000 2.463 106 D HA 0.061 4.515 4.640 -0.310 0.000 0.224 106 D C -0.583 175.993 176.300 0.460 0.000 1.174 106 D CA -0.123 54.092 54.000 0.358 0.000 0.829 106 D CB 0.063 40.999 40.800 0.228 0.000 0.993 106 D HN -0.041 nan 8.370 nan 0.000 0.497 107 F N 1.330 121.424 119.950 0.239 0.000 2.671 107 F HA 0.454 4.798 4.527 -0.306 0.000 0.332 107 F C -1.909 173.940 175.800 0.082 0.000 1.189 107 F CA -1.578 56.556 58.000 0.222 0.000 0.988 107 F CB 0.503 39.598 39.000 0.158 0.000 1.258 107 F HN -0.344 nan 8.300 nan 0.000 0.471 108 F N 4.392 124.397 119.950 0.091 0.000 2.611 108 F HA 0.707 5.045 4.527 -0.315 0.000 0.324 108 F C -0.350 175.336 175.800 -0.190 0.000 1.061 108 F CA -0.955 56.904 58.000 -0.235 0.000 0.954 108 F CB 2.060 41.032 39.000 -0.046 0.000 1.301 108 F HN 0.443 nan 8.300 nan 0.000 0.482 109 R N 1.836 122.280 120.500 -0.094 0.000 2.621 109 R HA 0.749 4.903 4.340 -0.310 0.000 0.284 109 R C -2.248 174.141 176.300 0.149 0.000 0.998 109 R CA -0.538 55.600 56.100 0.064 0.000 0.895 109 R CB 1.554 31.855 30.300 0.002 0.000 1.195 109 R HN 0.756 nan 8.270 nan 0.000 0.450 110 L N 3.699 125.004 121.223 0.136 0.000 2.334 110 L HA 0.642 4.797 4.340 -0.310 0.000 0.273 110 L C -0.748 176.191 176.870 0.114 0.000 1.013 110 L CA -1.325 53.576 54.840 0.101 0.000 0.816 110 L CB 2.190 44.289 42.059 0.066 0.000 1.278 110 L HN 0.341 nan 8.230 nan 0.000 0.431 111 V N 2.901 122.879 119.914 0.107 0.000 2.444 111 V HA 0.536 4.470 4.120 -0.310 0.000 0.294 111 V C -0.175 175.944 176.094 0.042 0.000 1.022 111 V CA -0.662 61.696 62.300 0.096 0.000 0.850 111 V CB 2.068 33.989 31.823 0.163 0.000 0.992 111 V HN 0.545 nan 8.190 nan 0.000 0.426 112 V N 1.731 121.661 119.914 0.026 0.000 3.001 112 V HA 0.712 4.646 4.120 -0.310 0.000 0.314 112 V C -0.189 175.900 176.094 -0.008 0.000 1.099 112 V CA -1.033 61.262 62.300 -0.008 0.000 0.989 112 V CB 2.169 33.980 31.823 -0.020 0.000 1.040 112 V HN 0.702 nan 8.190 nan 0.000 0.434 113 N N 1.602 120.280 118.700 -0.037 0.000 2.453 113 N HA 0.137 4.691 4.740 -0.310 0.000 0.253 113 N C 1.312 176.809 175.510 -0.022 0.000 1.252 113 N CA 0.605 53.637 53.050 -0.030 0.000 0.917 113 N CB 1.532 39.990 38.487 -0.048 0.000 1.117 113 N HN 0.913 nan 8.380 nan 0.000 0.442 114 S N 1.428 117.133 115.700 0.007 0.000 2.356 114 S HA -0.160 4.124 4.470 -0.310 0.000 0.223 114 S C 1.834 176.378 174.600 -0.094 0.000 1.032 114 S CA 1.498 59.711 58.200 0.022 0.000 1.005 114 S CB -0.244 63.017 63.200 0.102 0.000 0.867 114 S HN 0.670 nan 8.310 nan 0.000 0.449 115 A N 0.252 122.888 122.820 -0.307 0.000 2.024 115 A HA -0.070 4.064 4.320 -0.310 0.000 0.220 115 A C 2.029 179.498 177.584 -0.191 0.000 1.164 115 A CA 2.128 53.859 52.037 -0.511 0.000 0.643 115 A CB -0.877 17.603 19.000 -0.867 0.000 0.806 115 A HN 0.749 nan 8.150 nan 0.000 0.451 116 T N -3.735 110.738 114.554 -0.134 0.000 3.182 116 T HA 0.256 4.420 4.350 -0.310 0.000 0.277 116 T C 1.272 175.931 174.700 -0.068 0.000 1.013 116 T CA 0.214 62.246 62.100 -0.113 0.000 0.900 116 T CB 0.132 68.860 68.868 -0.232 0.000 1.098 116 T HN 0.514 nan 8.240 nan 0.000 0.543 117 R N 1.772 122.257 120.500 -0.026 0.000 2.094 117 R HA -0.159 3.995 4.340 -0.310 0.000 0.239 117 R C 1.809 178.128 176.300 0.032 0.000 1.137 117 R CA 1.845 57.955 56.100 0.017 0.000 0.943 117 R CB -0.118 30.218 30.300 0.061 0.000 0.850 117 R HN 0.275 nan 8.270 nan 0.000 0.433 118 E N 0.651 120.872 120.200 0.035 0.000 2.051 118 E HA -0.163 4.002 4.350 -0.310 0.000 0.189 118 E C 1.873 178.508 176.600 0.059 0.000 0.979 118 E CA 0.923 57.353 56.400 0.051 0.000 0.803 118 E CB -0.249 29.479 29.700 0.048 0.000 0.761 118 E HN 0.380 nan 8.360 nan 0.000 0.451 119 K N 0.887 121.312 120.400 0.041 0.000 2.074 119 K HA -0.213 3.921 4.320 -0.310 0.000 0.209 119 K C 1.455 178.105 176.600 0.085 0.000 1.048 119 K CA 1.922 58.240 56.287 0.052 0.000 0.926 119 K CB 0.068 32.566 32.500 -0.003 0.000 0.713 119 K HN -0.068 nan 8.250 nan 0.000 0.444 120 D N 0.565 120.988 120.400 0.039 0.000 2.103 120 D HA -0.093 4.361 4.640 -0.310 0.000 0.199 120 D C 2.036 178.427 176.300 0.152 0.000 0.978 120 D CA 0.876 54.917 54.000 0.069 0.000 0.829 120 D CB -0.175 40.622 40.800 -0.005 0.000 0.981 120 D HN 0.207 nan 8.370 nan 0.000 0.464 121 L N 0.436 121.725 121.223 0.110 0.000 2.042 121 L HA -0.200 3.954 4.340 -0.310 0.000 0.210 121 L C 2.547 179.500 176.870 0.138 0.000 1.076 121 L CA 1.075 55.985 54.840 0.116 0.000 0.749 121 L CB -0.558 41.552 42.059 0.086 0.000 0.893 121 L HN 0.015 nan 8.230 nan 0.000 0.432 122 S N -0.681 115.105 115.700 0.144 0.000 2.359 122 S HA -0.258 4.026 4.470 -0.310 0.000 0.224 122 S C 1.797 176.534 174.600 0.228 0.000 1.035 122 S CA 1.387 59.679 58.200 0.153 0.000 1.018 122 S CB -0.405 62.886 63.200 0.152 0.000 0.876 122 S HN 0.563 nan 8.310 nan 0.000 0.448 123 W N 1.381 122.744 121.300 0.104 0.000 2.358 123 W HA -0.119 4.358 4.660 -0.306 0.000 0.303 123 W C 1.805 178.500 176.519 0.293 0.000 1.208 123 W CA 1.163 58.624 57.345 0.194 0.000 1.274 123 W CB -0.403 29.112 29.460 0.091 0.000 1.138 123 W HN 0.357 nan 8.180 nan 0.000 0.515 124 I N 1.007 121.773 120.570 0.326 0.000 2.163 124 I HA -0.342 3.643 4.170 -0.310 0.000 0.240 124 I C 2.690 178.910 176.117 0.172 0.000 1.081 124 I CA 2.176 63.649 61.300 0.287 0.000 1.353 124 I CB -0.945 37.211 38.000 0.260 0.000 1.054 124 I HN -0.069 nan 8.210 nan 0.000 0.407 125 T N -1.377 113.235 114.554 0.098 0.000 2.833 125 T HA -0.285 3.879 4.350 -0.310 0.000 0.269 125 T C 1.800 176.471 174.700 -0.048 0.000 1.054 125 T CA 1.407 63.515 62.100 0.013 0.000 1.135 125 T CB -0.499 68.379 68.868 0.017 0.000 0.869 125 T HN 0.422 nan 8.240 nan 0.000 0.466 126 Q N 0.556 120.312 119.800 -0.073 0.000 2.050 126 Q HA -0.230 3.924 4.340 -0.310 0.000 0.202 126 Q C 2.062 177.861 176.000 -0.334 0.000 0.980 126 Q CA 1.965 57.625 55.803 -0.238 0.000 0.840 126 Q CB -0.251 28.285 28.738 -0.337 0.000 0.898 126 Q HN 0.805 nan 8.270 nan 0.000 0.424 127 H N -0.862 118.122 119.070 -0.144 0.000 2.512 127 H HA 0.162 4.533 4.556 -0.308 0.000 0.279 127 H C 1.702 177.103 175.328 0.122 0.000 0.999 127 H CA 0.919 56.984 56.048 0.030 0.000 1.283 127 H CB 0.168 29.939 29.762 0.014 0.000 1.421 127 H HN 0.410 nan 8.280 nan 0.000 0.554 128 A N 0.648 123.365 122.820 -0.173 0.000 2.014 128 A HA -0.150 3.984 4.320 -0.310 0.000 0.218 128 A C 2.103 179.549 177.584 -0.230 0.000 1.163 128 A CA 1.226 52.824 52.037 -0.732 0.000 0.652 128 A CB -0.253 18.269 19.000 -0.797 0.000 0.808 128 A HN 0.480 nan 8.150 nan 0.000 0.449 129 E N 0.039 120.152 120.200 -0.144 0.000 2.065 129 E HA -0.205 3.960 4.350 -0.310 0.000 0.201 129 E C -0.780 175.742 176.600 -0.130 0.000 1.016 129 E CA 1.874 58.201 56.400 -0.122 0.000 0.818 129 E CB -0.611 29.020 29.700 -0.116 0.000 0.749 129 E HN 0.458 nan 8.360 nan 0.000 0.453 130 P HA -0.109 nan 4.420 nan 0.000 0.225 130 P C 0.385 177.417 177.300 -0.446 0.000 1.148 130 P CA 1.055 63.953 63.100 -0.337 0.000 0.779 130 P CB -0.111 31.299 31.700 -0.483 0.000 0.780 131 F N -0.763 119.100 119.950 -0.145 0.000 2.797 131 F HA 0.335 4.678 4.527 -0.306 0.000 0.302 131 F C 1.669 177.401 175.800 -0.113 0.000 1.130 131 F CA 0.459 58.388 58.000 -0.119 0.000 1.387 131 F CB -0.883 38.032 39.000 -0.141 0.000 1.107 131 F HN -0.065 nan 8.300 nan 0.000 0.577 132 G N 1.868 110.660 108.800 -0.013 0.000 2.338 132 G HA2 -0.271 3.503 3.960 -0.310 0.000 0.296 132 G HA3 -0.271 3.503 3.960 -0.310 0.000 0.296 132 G C -0.021 174.871 174.900 -0.012 0.000 1.040 132 G CA -0.272 44.813 45.100 -0.025 0.000 1.004 132 G HN 0.136 nan 8.290 nan 0.000 0.509 133 I N 0.053 120.593 120.570 -0.050 0.000 2.428 133 I HA 0.283 4.267 4.170 -0.310 0.000 0.289 133 I C 0.838 176.937 176.117 -0.029 0.000 1.019 133 I CA -1.096 60.178 61.300 -0.043 0.000 1.351 133 I CB 1.423 39.341 38.000 -0.137 0.000 1.412 133 I HN 0.368 nan 8.210 nan 0.000 0.513 134 E N 6.435 126.637 120.200 0.004 0.000 2.217 134 E HA 0.321 4.485 4.350 -0.310 0.000 0.279 134 E C -1.031 175.582 176.600 0.023 0.000 1.068 134 E CA -0.300 56.101 56.400 0.003 0.000 0.882 134 E CB 0.589 30.288 29.700 -0.002 0.000 1.039 134 E HN 0.421 nan 8.360 nan 0.000 0.418 135 I N 4.201 124.781 120.570 0.016 0.000 2.355 135 I HA 0.178 4.162 4.170 -0.310 0.000 0.288 135 I C -0.427 175.716 176.117 0.042 0.000 0.999 135 I CA -0.457 60.868 61.300 0.042 0.000 1.163 135 I CB 1.987 40.004 38.000 0.028 0.000 1.316 135 I HN 0.352 nan 8.210 nan 0.000 0.454 136 T N 5.711 120.301 114.554 0.061 0.000 2.772 136 T HA 0.341 4.505 4.350 -0.310 0.000 0.288 136 T C -0.048 174.686 174.700 0.057 0.000 0.994 136 T CA -0.471 61.656 62.100 0.045 0.000 0.951 136 T CB 1.372 70.258 68.868 0.030 0.000 0.933 136 T HN 0.140 nan 8.240 nan 0.000 0.447 137 V N 5.327 125.269 119.914 0.047 0.000 2.427 137 V HA 0.249 4.183 4.120 -0.310 0.000 0.268 137 V C 0.861 176.978 176.094 0.038 0.000 1.046 137 V CA -0.550 61.780 62.300 0.050 0.000 0.970 137 V CB 0.218 32.073 31.823 0.053 0.000 1.001 137 V HN 0.667 nan 8.190 nan 0.000 0.476 138 R N 3.181 123.700 120.500 0.032 0.000 4.390 138 R HA 0.195 4.350 4.340 -0.310 0.000 0.229 138 R C 0.142 176.450 176.300 0.014 0.000 1.674 138 R CA -0.232 55.877 56.100 0.014 0.000 1.526 138 R CB -0.071 30.227 30.300 -0.004 0.000 1.418 138 R HN 0.626 nan 8.270 nan 0.000 0.790 139 D N 0.826 121.244 120.400 0.030 0.000 2.371 139 D HA -0.118 4.336 4.640 -0.310 0.000 0.221 139 D C 1.144 177.458 176.300 0.023 0.000 0.986 139 D CA 0.755 54.777 54.000 0.038 0.000 0.899 139 D CB 0.252 41.095 40.800 0.072 0.000 0.902 139 D HN 0.448 nan 8.370 nan 0.000 0.530 140 D N 0.045 120.452 120.400 0.013 0.000 2.378 140 D HA -0.129 4.326 4.640 -0.310 0.000 0.222 140 D C 0.612 176.905 176.300 -0.012 0.000 0.980 140 D CA 0.253 54.255 54.000 0.004 0.000 0.907 140 D CB 0.203 41.002 40.800 -0.001 0.000 0.899 140 D HN 0.223 nan 8.370 nan 0.000 0.527 141 L N 0.426 121.636 121.223 -0.023 0.000 2.334 141 L HA 0.340 4.495 4.340 -0.310 0.000 0.276 141 L C 0.224 177.061 176.870 -0.054 0.000 1.014 141 L CA -0.685 54.133 54.840 -0.038 0.000 0.815 141 L CB 2.093 44.126 42.059 -0.043 0.000 1.268 141 L HN -0.180 nan 8.230 nan 0.000 0.428 142 S N 2.292 117.957 115.700 -0.057 0.000 2.767 142 S HA 0.787 5.071 4.470 -0.310 0.000 0.300 142 S C -0.695 173.886 174.600 -0.033 0.000 1.123 142 S CA -0.655 57.499 58.200 -0.077 0.000 0.992 142 S CB 2.011 65.174 63.200 -0.062 0.000 1.138 142 S HN 0.595 nan 8.310 nan 0.000 0.550 143 M N 1.752 121.349 119.600 -0.005 0.000 2.365 143 M HA 0.519 4.813 4.480 -0.310 0.000 0.288 143 M C -2.413 173.974 176.300 0.146 0.000 1.152 143 M CA -0.213 55.124 55.300 0.062 0.000 0.948 143 M CB 1.136 33.774 32.600 0.063 0.000 1.729 143 M HN 0.602 nan 8.290 nan 0.000 0.487 144 I N 3.350 124.045 120.570 0.209 0.000 2.466 144 I HA 0.648 4.632 4.170 -0.310 0.000 0.289 144 I C -0.264 176.034 176.117 0.301 0.000 1.026 144 I CA -0.777 60.719 61.300 0.327 0.000 1.078 144 I CB 2.160 40.409 38.000 0.414 0.000 1.249 144 I HN 0.788 nan 8.210 nan 0.000 0.429 145 A N 6.634 129.664 122.820 0.350 0.000 2.276 145 A HA 0.710 4.844 4.320 -0.310 0.000 0.300 145 A C -0.540 177.249 177.584 0.341 0.000 1.235 145 A CA -0.404 51.835 52.037 0.337 0.000 0.867 145 A CB 0.596 19.802 19.000 0.344 0.000 1.137 145 A HN 0.456 nan 8.150 nan 0.000 0.527 146 V N 4.279 124.343 119.914 0.250 0.000 2.384 146 V HA 0.460 4.394 4.120 -0.310 0.000 0.287 146 V C -0.493 175.667 176.094 0.111 0.000 1.020 146 V CA -0.526 61.861 62.300 0.145 0.000 0.850 146 V CB 1.114 33.006 31.823 0.115 0.000 0.987 146 V HN 0.919 nan 8.190 nan 0.000 0.436 147 Q N 2.701 122.562 119.800 0.103 0.000 2.331 147 Q HA 0.813 4.967 4.340 -0.310 0.000 0.272 147 Q C 0.025 176.034 176.000 0.014 0.000 1.062 147 Q CA -0.252 55.602 55.803 0.086 0.000 0.806 147 Q CB 2.849 31.709 28.738 0.202 0.000 1.312 147 Q HN 1.117 nan 8.270 nan 0.000 0.431 148 G N 1.844 110.624 108.800 -0.033 0.000 2.347 148 G HA2 -0.002 3.772 3.960 -0.310 0.000 0.477 148 G HA3 -0.002 3.772 3.960 -0.310 0.000 0.477 148 G C -2.560 172.290 174.900 -0.084 0.000 1.349 148 G CA -0.729 44.335 45.100 -0.061 0.000 1.000 148 G HN 0.316 nan 8.290 nan 0.000 0.605 149 P HA -0.022 nan 4.420 nan 0.000 0.222 149 P C 0.867 178.112 177.300 -0.091 0.000 1.147 149 P CA 1.081 64.132 63.100 -0.082 0.000 0.790 149 P CB 0.127 31.783 31.700 -0.073 0.000 0.780 150 N N -1.145 117.496 118.700 -0.098 0.000 2.187 150 N HA 0.167 4.721 4.740 -0.310 0.000 0.212 150 N C 1.452 176.887 175.510 -0.125 0.000 1.152 150 N CA 0.226 53.214 53.050 -0.103 0.000 0.872 150 N CB -0.034 38.397 38.487 -0.093 0.000 1.025 150 N HN 0.024 nan 8.380 nan 0.000 0.514 151 A N 1.234 123.971 122.820 -0.138 0.000 1.877 151 A HA -0.184 3.950 4.320 -0.310 0.000 0.216 151 A C 2.102 179.559 177.584 -0.212 0.000 1.186 151 A CA 1.283 53.229 52.037 -0.151 0.000 0.620 151 A CB -0.394 18.531 19.000 -0.125 0.000 0.822 151 A HN 0.259 nan 8.150 nan 0.000 0.443 152 Q N -0.720 118.880 119.800 -0.334 0.000 2.084 152 Q HA -0.101 4.053 4.340 -0.310 0.000 0.202 152 Q C 2.415 178.329 176.000 -0.144 0.000 0.978 152 Q CA 1.405 56.934 55.803 -0.456 0.000 0.844 152 Q CB -0.384 28.011 28.738 -0.572 0.000 0.898 152 Q HN 0.687 nan 8.270 nan 0.000 0.426 153 A N 1.392 124.136 122.820 -0.127 0.000 1.930 153 A HA -0.190 3.944 4.320 -0.310 0.000 0.217 153 A C 1.902 179.409 177.584 -0.129 0.000 1.175 153 A CA 1.363 53.343 52.037 -0.094 0.000 0.627 153 A CB -0.220 18.732 19.000 -0.080 0.000 0.815 153 A HN 0.168 nan 8.150 nan 0.000 0.443 154 K N -0.235 120.080 120.400 -0.142 0.000 2.025 154 K HA -0.021 4.113 4.320 -0.310 0.000 0.207 154 K C 2.355 178.822 176.600 -0.220 0.000 1.049 154 K CA 1.083 57.270 56.287 -0.166 0.000 0.933 154 K CB -0.348 32.058 32.500 -0.156 0.000 0.714 154 K HN 0.410 nan 8.250 nan 0.000 0.438 155 A N 1.672 124.371 122.820 -0.201 0.000 1.908 155 A HA -0.156 3.978 4.320 -0.310 0.000 0.218 155 A C 2.358 179.503 177.584 -0.731 0.000 1.181 155 A CA 1.986 53.854 52.037 -0.282 0.000 0.627 155 A CB -0.749 18.300 19.000 0.081 0.000 0.818 155 A HN 0.352 nan 8.150 nan 0.000 0.445 156 A N -0.307 122.129 122.820 -0.640 0.000 2.121 156 A HA -0.008 4.126 4.320 -0.310 0.000 0.218 156 A C 2.262 179.563 177.584 -0.472 0.000 1.154 156 A CA 2.088 53.603 52.037 -0.870 0.000 0.679 156 A CB -1.302 17.583 19.000 -0.191 0.000 0.795 156 A HN 0.822 nan 8.150 nan 0.000 0.458 157 T N -1.420 112.937 114.554 -0.328 0.000 2.881 157 T HA -0.078 4.086 4.350 -0.310 0.000 0.270 157 T C 1.508 176.094 174.700 -0.189 0.000 1.068 157 T CA 1.480 63.461 62.100 -0.200 0.000 1.131 157 T CB -0.540 68.228 68.868 -0.166 0.000 0.871 157 T HN 0.390 nan 8.240 nan 0.000 0.479 158 L N -0.908 120.143 121.223 -0.286 0.000 2.558 158 L HA 0.349 4.503 4.340 -0.310 0.000 0.225 158 L C 0.226 177.183 176.870 0.144 0.000 1.128 158 L CA -0.346 54.409 54.840 -0.143 0.000 0.868 158 L CB -0.383 41.486 42.059 -0.318 0.000 1.006 158 L HN 0.151 nan 8.230 nan 0.000 0.454 159 F N 1.686 121.664 119.950 0.046 0.000 2.389 159 F HA 0.176 4.515 4.527 -0.314 0.000 0.337 159 F C 0.974 176.787 175.800 0.022 0.000 1.112 159 F CA -2.017 56.012 58.000 0.048 0.000 1.192 159 F CB 0.009 39.020 39.000 0.019 0.000 1.185 159 F HN 0.094 nan 8.300 nan 0.000 0.552 160 N N 0.509 119.338 118.700 0.215 0.000 2.327 160 N HA 0.027 4.581 4.740 -0.310 0.000 0.257 160 N C 0.368 175.934 175.510 0.094 0.000 1.281 160 N CA -0.213 52.904 53.050 0.112 0.000 0.942 160 N CB 0.289 38.815 38.487 0.064 0.000 1.199 160 N HN 0.392 nan 8.380 nan 0.000 0.532 161 D N -0.871 119.561 120.400 0.052 0.000 2.144 161 D HA -0.069 4.386 4.640 -0.310 0.000 0.200 161 D C 1.773 178.084 176.300 0.019 0.000 0.978 161 D CA 1.651 55.675 54.000 0.040 0.000 0.833 161 D CB -0.691 40.123 40.800 0.023 0.000 0.961 161 D HN 0.677 nan 8.370 nan 0.000 0.470 162 A N 0.955 123.774 122.820 -0.002 0.000 1.908 162 A HA -0.257 3.878 4.320 -0.310 0.000 0.218 162 A C 2.142 179.687 177.584 -0.065 0.000 1.181 162 A CA 1.599 53.617 52.037 -0.032 0.000 0.627 162 A CB -0.668 18.308 19.000 -0.040 0.000 0.818 162 A HN 0.226 nan 8.150 nan 0.000 0.445 163 Q N -0.883 118.867 119.800 -0.084 0.000 2.084 163 Q HA -0.130 4.024 4.340 -0.310 0.000 0.202 163 Q C 2.390 178.306 176.000 -0.140 0.000 0.978 163 Q CA 1.483 57.156 55.803 -0.215 0.000 0.844 163 Q CB -0.170 28.365 28.738 -0.339 0.000 0.898 163 Q HN 0.598 nan 8.270 nan 0.000 0.426 164 R N 0.384 120.918 120.500 0.056 0.000 2.075 164 R HA -0.149 4.005 4.340 -0.310 0.000 0.232 164 R C 2.325 178.654 176.300 0.048 0.000 1.126 164 R CA 1.284 57.466 56.100 0.138 0.000 0.963 164 R CB -0.145 30.255 30.300 0.165 0.000 0.858 164 R HN 0.334 nan 8.270 nan 0.000 0.435 165 Q N 0.243 120.049 119.800 0.009 0.000 2.124 165 Q HA -0.137 4.018 4.340 -0.310 0.000 0.202 165 Q C 1.986 177.963 176.000 -0.037 0.000 0.977 165 Q CA 1.550 57.347 55.803 -0.009 0.000 0.850 165 Q CB -0.036 28.694 28.738 -0.014 0.000 0.901 165 Q HN 0.359 nan 8.270 nan 0.000 0.429 166 A N 0.257 123.033 122.820 -0.073 0.000 1.940 166 A HA -0.142 3.992 4.320 -0.310 0.000 0.219 166 A C 1.879 179.397 177.584 -0.110 0.000 1.176 166 A CA 1.739 53.713 52.037 -0.106 0.000 0.631 166 A CB -0.471 18.435 19.000 -0.156 0.000 0.814 166 A HN 0.441 nan 8.150 nan 0.000 0.446 167 V N -2.355 117.501 119.914 -0.097 0.000 3.483 167 V HA 0.296 4.231 4.120 -0.310 0.000 0.301 167 V C 0.283 176.398 176.094 0.035 0.000 1.389 167 V CA 0.306 62.576 62.300 -0.051 0.000 1.101 167 V CB -0.573 31.200 31.823 -0.082 0.000 0.971 167 V HN 0.358 nan 8.190 nan 0.000 0.434 168 E N 2.147 122.361 120.200 0.022 0.000 2.415 168 E HA 0.416 4.580 4.350 -0.310 0.000 0.260 168 E C 1.380 177.992 176.600 0.021 0.000 1.016 168 E CA 1.189 57.614 56.400 0.041 0.000 0.924 168 E CB 0.082 29.798 29.700 0.026 0.000 0.961 168 E HN 0.878 nan 8.360 nan 0.000 0.459 169 G N 4.437 113.261 108.800 0.040 0.000 2.203 169 G HA2 -0.372 3.403 3.960 -0.310 0.000 0.263 169 G HA3 -0.372 3.403 3.960 -0.310 0.000 0.263 169 G C 0.334 175.237 174.900 0.004 0.000 1.012 169 G CA 0.541 45.653 45.100 0.021 0.000 0.749 169 G HN 0.590 nan 8.290 nan 0.000 0.512 170 M N 0.560 120.174 119.600 0.024 0.000 2.238 170 M HA 0.312 4.607 4.480 -0.310 0.000 0.350 170 M C 0.842 177.178 176.300 0.059 0.000 1.321 170 M CA -0.002 55.286 55.300 -0.020 0.000 1.097 170 M CB 0.318 32.935 32.600 0.028 0.000 1.713 170 M HN 0.008 nan 8.290 nan 0.000 0.455 171 K N 5.062 125.484 120.400 0.037 0.000 2.180 171 K HA 0.365 4.499 4.320 -0.310 0.000 0.251 171 K C -2.476 174.348 176.600 0.372 0.000 1.014 171 K CA -1.422 54.986 56.287 0.201 0.000 0.913 171 K CB -0.253 32.400 32.500 0.255 0.000 1.008 171 K HN 0.410 nan 8.250 nan 0.000 0.490 172 P HA 0.011 nan 4.420 nan 0.000 0.267 172 P C -0.591 176.995 177.300 0.477 0.000 1.200 172 P CA 0.074 63.384 63.100 0.350 0.000 0.772 172 P CB 0.109 31.990 31.700 0.303 0.000 0.855 173 F N -0.996 119.048 119.950 0.156 0.000 3.040 173 F HA -0.188 4.129 4.527 -0.350 0.000 0.298 173 F C -0.388 175.356 175.800 -0.092 0.000 0.948 173 F CA 0.882 58.899 58.000 0.028 0.000 1.022 173 F CB -2.137 36.825 39.000 -0.063 0.000 1.023 173 F HN 0.144 nan 8.300 nan 0.000 0.742 174 F N -0.395 119.664 119.950 0.183 0.000 2.588 174 F HA 0.768 5.111 4.527 -0.306 0.000 0.314 174 F C 0.603 176.516 175.800 0.189 0.000 1.069 174 F CA -0.681 57.440 58.000 0.202 0.000 0.931 174 F CB 2.206 41.288 39.000 0.136 0.000 1.260 174 F HN -0.009 nan 8.300 nan 0.000 0.465 175 G N 0.892 109.925 108.800 0.388 0.000 2.591 175 G HA2 0.600 4.374 3.960 -0.310 0.000 0.306 175 G HA3 0.600 4.374 3.960 -0.310 0.000 0.306 175 G C -2.316 172.505 174.900 -0.132 0.000 1.334 175 G CA -0.906 44.104 45.100 -0.149 0.000 0.981 175 G HN 0.664 nan 8.290 nan 0.000 0.491 176 V N 1.448 121.037 119.914 -0.542 0.000 2.733 176 V HA 0.624 4.558 4.120 -0.310 0.000 0.306 176 V C -0.977 174.922 176.094 -0.327 0.000 1.084 176 V CA -0.857 61.282 62.300 -0.268 0.000 0.905 176 V CB 2.072 33.788 31.823 -0.179 0.000 1.010 176 V HN 0.817 nan 8.190 nan 0.000 0.424 177 Q N 4.350 124.078 119.800 -0.119 0.000 2.293 177 Q HA 0.709 4.863 4.340 -0.310 0.000 0.263 177 Q C -0.378 175.526 176.000 -0.160 0.000 1.002 177 Q CA 0.660 56.416 55.803 -0.078 0.000 0.910 177 Q CB 1.357 30.026 28.738 -0.114 0.000 1.185 177 Q HN 1.100 nan 8.270 nan 0.000 0.401 178 A N 4.113 126.817 122.820 -0.194 0.000 2.605 178 A HA 0.701 4.835 4.320 -0.310 0.000 0.293 178 A C 0.393 177.876 177.584 -0.169 0.000 1.216 178 A CA 0.037 51.956 52.037 -0.197 0.000 0.742 178 A CB 0.146 18.981 19.000 -0.274 0.000 1.170 178 A HN 1.136 nan 8.150 nan 0.000 0.443 179 G N 2.580 111.310 108.800 -0.117 0.000 2.550 179 G HA2 -0.297 3.477 3.960 -0.310 0.000 0.277 179 G HA3 -0.297 3.477 3.960 -0.310 0.000 0.277 179 G C 0.618 175.463 174.900 -0.091 0.000 1.190 179 G CA 0.838 45.885 45.100 -0.090 0.000 0.971 179 G HN 1.393 nan 8.290 nan 0.000 0.559 180 D N 0.875 121.226 120.400 -0.082 0.000 2.349 180 D HA 0.121 4.575 4.640 -0.310 0.000 0.224 180 D C 1.059 177.292 176.300 -0.112 0.000 1.029 180 D CA 0.338 54.291 54.000 -0.079 0.000 0.879 180 D CB -0.118 40.648 40.800 -0.056 0.000 0.906 180 D HN 0.527 nan 8.370 nan 0.000 0.528 181 L N 0.624 121.756 121.223 -0.153 0.000 2.307 181 L HA 0.400 4.554 4.340 -0.310 0.000 0.284 181 L C -0.771 176.004 176.870 -0.158 0.000 1.023 181 L CA -1.219 53.496 54.840 -0.208 0.000 0.810 181 L CB 1.596 43.460 42.059 -0.325 0.000 1.231 181 L HN -0.146 nan 8.230 nan 0.000 0.423 182 F N 4.918 124.711 119.950 -0.263 0.000 2.388 182 F HA 0.599 4.934 4.527 -0.320 0.000 0.358 182 F C -0.512 175.137 175.800 -0.251 0.000 1.122 182 F CA -0.549 57.294 58.000 -0.261 0.000 1.056 182 F CB 0.745 39.607 39.000 -0.231 0.000 1.155 182 F HN 0.203 nan 8.300 nan 0.000 0.461 183 I N 6.187 126.243 120.570 -0.857 0.000 2.406 183 I HA 0.672 4.656 4.170 -0.310 0.000 0.290 183 I C -0.578 175.105 176.117 -0.723 0.000 0.999 183 I CA -0.708 60.173 61.300 -0.698 0.000 1.124 183 I CB 1.630 39.182 38.000 -0.747 0.000 1.289 183 I HN 0.747 nan 8.210 nan 0.000 0.441 184 A N 3.060 125.644 122.820 -0.393 0.000 2.393 184 A HA 0.677 4.812 4.320 -0.310 0.000 0.306 184 A C -0.046 177.619 177.584 0.134 0.000 1.050 184 A CA -0.610 51.337 52.037 -0.149 0.000 0.724 184 A CB 1.198 20.171 19.000 -0.045 0.000 1.248 184 A HN 0.699 nan 8.150 nan 0.000 0.424 185 T N 0.624 115.290 114.554 0.187 0.000 3.855 185 T HA 0.465 4.630 4.350 -0.310 0.000 0.306 185 T C 0.448 175.168 174.700 0.032 0.000 1.575 185 T CA 0.216 62.441 62.100 0.209 0.000 1.214 185 T CB -1.209 67.810 68.868 0.252 0.000 1.262 185 T HN 0.923 nan 8.240 nan 0.000 0.883 186 T N -1.440 113.104 114.554 -0.018 0.000 2.807 186 T HA 0.936 5.100 4.350 -0.310 0.000 0.277 186 T C 0.098 174.794 174.700 -0.006 0.000 1.006 186 T CA -0.686 61.297 62.100 -0.195 0.000 1.006 186 T CB 2.067 70.760 68.868 -0.291 0.000 1.274 186 T HN 0.862 nan 8.240 nan 0.000 0.569 187 G N -1.131 107.681 108.800 0.020 0.000 2.328 187 G HA2 0.378 4.152 3.960 -0.310 0.000 0.299 187 G HA3 0.378 4.152 3.960 -0.310 0.000 0.299 187 G C -1.860 173.139 174.900 0.164 0.000 1.435 187 G CA -0.668 44.487 45.100 0.092 0.000 0.865 187 G HN 0.762 nan 8.290 nan 0.000 0.601 188 Y N 0.887 121.155 120.300 -0.053 0.000 2.698 188 Y HA 0.416 5.015 4.550 0.082 0.000 0.261 188 Y C 1.714 177.556 175.900 -0.095 0.000 1.104 188 Y CA 0.435 58.490 58.100 -0.074 0.000 1.145 188 Y CB 0.454 38.844 38.460 -0.117 0.000 1.191 188 Y HN 0.808 nan 8.280 nan 0.000 0.564 189 T N -5.423 109.117 114.554 -0.023 0.000 2.969 189 T HA 0.353 4.517 4.350 -0.310 0.000 0.258 189 T C 1.554 176.210 174.700 -0.073 0.000 0.962 189 T CA 0.457 62.499 62.100 -0.096 0.000 0.903 189 T CB 0.284 69.124 68.868 -0.047 0.000 1.177 189 T HN 0.421 nan 8.240 nan 0.000 0.511 190 G N 1.293 110.074 108.800 -0.031 0.000 2.176 190 G HA2 -0.180 3.594 3.960 -0.310 0.000 0.253 190 G HA3 -0.180 3.594 3.960 -0.310 0.000 0.253 190 G C -0.167 174.720 174.900 -0.021 0.000 0.979 190 G CA 0.185 45.268 45.100 -0.028 0.000 0.641 190 G HN 0.615 nan 8.290 nan 0.000 0.530 191 E N 0.007 120.197 120.200 -0.016 0.000 2.243 191 E HA 0.743 4.907 4.350 -0.310 0.000 0.260 191 E C 0.747 177.342 176.600 -0.008 0.000 0.985 191 E CA -0.034 56.353 56.400 -0.021 0.000 0.858 191 E CB 1.346 31.026 29.700 -0.033 0.000 1.210 191 E HN 0.722 nan 8.360 nan 0.000 0.411 192 A N -0.014 122.789 122.820 -0.029 0.000 2.386 192 A HA 0.598 4.733 4.320 -0.310 0.000 0.246 192 A C 0.587 178.124 177.584 -0.079 0.000 1.089 192 A CA 0.897 52.905 52.037 -0.047 0.000 0.790 192 A CB 0.122 19.078 19.000 -0.074 0.000 1.042 192 A HN 0.630 nan 8.150 nan 0.000 0.497 193 G N -1.266 107.453 108.800 -0.135 0.000 2.344 193 G HA2 0.453 4.227 3.960 -0.310 0.000 0.282 193 G HA3 0.453 4.227 3.960 -0.310 0.000 0.282 193 G C -1.654 173.119 174.900 -0.211 0.000 1.281 193 G CA -0.616 44.345 45.100 -0.231 0.000 0.877 193 G HN 0.782 nan 8.290 nan 0.000 0.494 194 Y N 0.200 120.555 120.300 0.091 0.000 2.602 194 Y HA 0.732 5.093 4.550 -0.315 0.000 0.342 194 Y C 0.210 176.174 175.900 0.107 0.000 1.029 194 Y CA -1.105 57.052 58.100 0.096 0.000 1.080 194 Y CB 1.988 40.533 38.460 0.142 0.000 1.284 194 Y HN 0.489 nan 8.280 nan 0.000 0.485 195 E N 1.695 122.057 120.200 0.270 0.000 2.187 195 E HA 0.608 4.772 4.350 -0.310 0.000 0.268 195 E C -1.376 175.311 176.600 0.145 0.000 0.896 195 E CA -0.560 55.966 56.400 0.210 0.000 0.766 195 E CB 2.343 32.152 29.700 0.182 0.000 1.142 195 E HN 0.440 nan 8.360 nan 0.000 0.408 196 I N 2.336 122.991 120.570 0.141 0.000 2.439 196 I HA 0.423 4.407 4.170 -0.310 0.000 0.285 196 I C -0.513 175.619 176.117 0.025 0.000 1.021 196 I CA -0.609 60.713 61.300 0.036 0.000 1.091 196 I CB 1.714 39.740 38.000 0.042 0.000 1.242 196 I HN 0.471 nan 8.210 nan 0.000 0.439 197 A N 8.057 130.911 122.820 0.057 0.000 2.324 197 A HA 0.997 5.131 4.320 -0.310 0.000 0.330 197 A C -0.696 176.860 177.584 -0.047 0.000 1.165 197 A CA -0.462 51.598 52.037 0.038 0.000 0.813 197 A CB 1.372 20.434 19.000 0.102 0.000 1.197 197 A HN 0.792 nan 8.150 nan 0.000 0.484 198 L N -0.860 120.315 121.223 -0.079 0.000 2.775 198 L HA 0.724 4.878 4.340 -0.310 0.000 0.263 198 L C -3.212 173.616 176.870 -0.068 0.000 1.017 198 L CA -2.357 52.416 54.840 -0.112 0.000 0.891 198 L CB 1.747 43.667 42.059 -0.232 0.000 1.482 198 L HN 0.324 nan 8.230 nan 0.000 0.410 199 P HA 0.172 nan 4.420 nan 0.000 0.267 199 P C -0.160 177.130 177.300 -0.018 0.000 1.200 199 P CA -0.082 63.000 63.100 -0.031 0.000 0.772 199 P CB 0.478 32.165 31.700 -0.021 0.000 0.855 200 N N 2.258 120.951 118.700 -0.012 0.000 2.094 200 N HA -0.191 4.363 4.740 -0.310 0.000 0.191 200 N C 1.367 176.885 175.510 0.013 0.000 1.023 200 N CA 1.324 54.372 53.050 -0.005 0.000 0.857 200 N CB -0.418 38.071 38.487 0.004 0.000 1.013 200 N HN 0.608 nan 8.380 nan 0.000 0.426 201 E N 0.407 120.618 120.200 0.018 0.000 2.478 201 E HA -0.095 4.069 4.350 -0.310 0.000 0.198 201 E C 0.580 177.204 176.600 0.040 0.000 1.046 201 E CA 0.791 57.208 56.400 0.029 0.000 0.870 201 E CB 0.061 29.776 29.700 0.025 0.000 0.818 201 E HN 0.155 nan 8.360 nan 0.000 0.527 202 K N 0.276 120.700 120.400 0.040 0.000 2.353 202 K HA 0.293 4.427 4.320 -0.310 0.000 0.195 202 K C 1.732 178.400 176.600 0.115 0.000 1.031 202 K CA 0.692 57.021 56.287 0.069 0.000 1.079 202 K CB 0.561 33.089 32.500 0.045 0.000 0.857 202 K HN 0.176 nan 8.250 nan 0.000 0.535 203 A N 1.466 124.338 122.820 0.088 0.000 1.897 203 A HA 0.031 4.165 4.320 -0.310 0.000 0.215 203 A C 2.348 180.048 177.584 0.193 0.000 1.181 203 A CA 1.667 53.781 52.037 0.128 0.000 0.620 203 A CB -0.406 18.627 19.000 0.054 0.000 0.821 203 A HN 0.217 nan 8.150 nan 0.000 0.443 204 A N -0.029 122.859 122.820 0.113 0.000 1.902 204 A HA -0.202 3.932 4.320 -0.310 0.000 0.217 204 A C 1.797 179.486 177.584 0.175 0.000 1.181 204 A CA 2.109 54.203 52.037 0.095 0.000 0.623 204 A CB -0.715 18.305 19.000 0.034 0.000 0.818 204 A HN 0.481 nan 8.150 nan 0.000 0.443 205 D N -1.840 118.658 120.400 0.164 0.000 2.144 205 D HA -0.073 4.381 4.640 -0.310 0.000 0.200 205 D C 1.546 177.957 176.300 0.185 0.000 0.978 205 D CA 1.065 55.157 54.000 0.152 0.000 0.833 205 D CB -0.168 40.711 40.800 0.132 0.000 0.961 205 D HN 0.431 nan 8.370 nan 0.000 0.470 206 F N -0.140 119.876 119.950 0.111 0.000 2.146 206 F HA -0.089 4.251 4.527 -0.311 0.000 0.298 206 F C 2.060 177.941 175.800 0.135 0.000 1.096 206 F CA 1.067 59.133 58.000 0.109 0.000 1.275 206 F CB -0.153 38.917 39.000 0.117 0.000 1.008 206 F HN 0.142 nan 8.300 nan 0.000 0.480 207 W N 2.025 123.421 121.300 0.161 0.000 2.318 207 W HA -0.279 4.190 4.660 -0.318 0.000 0.313 207 W C 2.537 179.026 176.519 -0.050 0.000 1.221 207 W CA 2.252 59.626 57.345 0.049 0.000 1.266 207 W CB -0.675 28.795 29.460 0.017 0.000 1.150 207 W HN 0.060 nan 8.180 nan 0.000 0.496 208 R N 0.869 121.491 120.500 0.202 0.000 2.080 208 R HA -0.196 3.958 4.340 -0.310 0.000 0.236 208 R C 2.330 178.574 176.300 -0.094 0.000 1.137 208 R CA 2.281 58.419 56.100 0.062 0.000 0.943 208 R CB -0.978 29.373 30.300 0.084 0.000 0.846 208 R HN 0.121 nan 8.270 nan 0.000 0.431 209 A N 1.219 123.954 122.820 -0.142 0.000 1.940 209 A HA -0.150 3.984 4.320 -0.310 0.000 0.219 209 A C 2.316 179.708 177.584 -0.319 0.000 1.176 209 A CA 1.346 53.240 52.037 -0.238 0.000 0.631 209 A CB -0.498 18.308 19.000 -0.323 0.000 0.814 209 A HN 0.384 nan 8.150 nan 0.000 0.446 210 L N -0.852 120.134 121.223 -0.395 0.000 2.056 210 L HA -0.135 4.019 4.340 -0.310 0.000 0.207 210 L C 2.551 179.191 176.870 -0.382 0.000 1.078 210 L CA 0.946 55.539 54.840 -0.411 0.000 0.749 210 L CB -0.461 41.335 42.059 -0.438 0.000 0.901 210 L HN 0.246 nan 8.230 nan 0.000 0.433 211 V N 0.036 119.698 119.914 -0.419 0.000 2.282 211 V HA -0.320 3.614 4.120 -0.310 0.000 0.249 211 V C 2.339 178.300 176.094 -0.222 0.000 1.057 211 V CA 1.988 64.084 62.300 -0.339 0.000 1.032 211 V CB -0.538 31.123 31.823 -0.270 0.000 0.645 211 V HN 0.492 nan 8.190 nan 0.000 0.447 212 E N 0.234 120.322 120.200 -0.187 0.000 2.204 212 E HA -0.124 4.040 4.350 -0.310 0.000 0.194 212 E C 2.093 178.604 176.600 -0.148 0.000 0.989 212 E CA 1.110 57.426 56.400 -0.140 0.000 0.824 212 E CB -0.276 29.355 29.700 -0.114 0.000 0.756 212 E HN 0.609 nan 8.360 nan 0.000 0.477 213 A N 0.438 123.145 122.820 -0.187 0.000 2.235 213 A HA 0.190 4.325 4.320 -0.310 0.000 0.208 213 A C 1.635 179.122 177.584 -0.163 0.000 1.172 213 A CA 0.879 52.809 52.037 -0.178 0.000 0.786 213 A CB -0.294 18.576 19.000 -0.216 0.000 0.804 213 A HN 0.336 nan 8.150 nan 0.000 0.479 214 G N -1.913 106.787 108.800 -0.166 0.000 2.134 214 G HA2 -0.148 3.626 3.960 -0.310 0.000 0.209 214 G HA3 -0.148 3.626 3.960 -0.310 0.000 0.209 214 G C -0.013 174.783 174.900 -0.173 0.000 0.993 214 G CA -0.039 44.973 45.100 -0.147 0.000 0.669 214 G HN 0.738 nan 8.290 nan 0.000 0.519 215 V N 1.236 121.013 119.914 -0.228 0.000 2.406 215 V HA 0.396 4.330 4.120 -0.310 0.000 0.272 215 V C 0.909 176.816 176.094 -0.313 0.000 1.043 215 V CA -0.440 61.703 62.300 -0.261 0.000 0.915 215 V CB 1.534 33.178 31.823 -0.300 0.000 0.988 215 V HN 0.415 nan 8.190 nan 0.000 0.466 216 K N 7.116 127.356 120.400 -0.267 0.000 2.379 216 K HA 0.246 4.380 4.320 -0.310 0.000 0.284 216 K C -2.500 173.859 176.600 -0.402 0.000 1.044 216 K CA -1.439 54.682 56.287 -0.277 0.000 0.974 216 K CB 0.743 33.139 32.500 -0.174 0.000 0.962 216 K HN 0.353 nan 8.250 nan 0.000 0.474 217 P HA -0.013 nan 4.420 nan 0.000 0.264 217 P C -1.049 175.933 177.300 -0.530 0.000 1.193 217 P CA -0.282 62.410 63.100 -0.681 0.000 0.763 217 P CB 0.581 31.595 31.700 -1.143 0.000 0.810 218 C N 3.524 122.635 119.300 -0.315 0.000 2.547 218 C HA 0.752 5.027 4.460 -0.310 0.000 0.313 218 C C 0.947 176.067 174.990 0.216 0.000 1.191 218 C CA -0.230 58.693 59.018 -0.158 0.000 1.474 218 C CB 1.543 28.799 27.740 -0.808 0.000 2.081 218 C HN 0.678 nan 8.230 nan 0.000 0.476 219 G N 1.074 110.113 108.800 0.398 0.000 2.671 219 G HA2 0.538 4.312 3.960 -0.310 0.000 0.275 219 G HA3 0.538 4.312 3.960 -0.310 0.000 0.275 219 G C 0.689 175.794 174.900 0.343 0.000 1.368 219 G CA -0.609 44.682 45.100 0.319 0.000 1.044 219 G HN 0.731 nan 8.290 nan 0.000 0.543 220 L N 0.268 121.576 121.223 0.143 0.000 2.131 220 L HA 0.003 4.157 4.340 -0.310 0.000 0.210 220 L C 3.065 179.996 176.870 0.102 0.000 1.092 220 L CA 1.223 56.087 54.840 0.039 0.000 0.759 220 L CB -0.553 41.388 42.059 -0.198 0.000 0.903 220 L HN 0.667 nan 8.230 nan 0.000 0.435 221 G N -0.076 108.808 108.800 0.141 0.000 2.433 221 G HA2 -0.266 3.508 3.960 -0.310 0.000 0.216 221 G HA3 -0.266 3.508 3.960 -0.310 0.000 0.216 221 G C 1.779 176.794 174.900 0.190 0.000 1.186 221 G CA 0.852 46.043 45.100 0.151 0.000 0.779 221 G HN 0.456 nan 8.290 nan 0.000 0.543 222 A N 0.582 123.564 122.820 0.270 0.000 1.930 222 A HA 0.010 4.144 4.320 -0.310 0.000 0.217 222 A C 2.315 180.088 177.584 0.316 0.000 1.175 222 A CA 1.846 54.085 52.037 0.336 0.000 0.627 222 A CB -0.462 18.765 19.000 0.380 0.000 0.815 222 A HN 0.391 nan 8.150 nan 0.000 0.443 223 R N -0.247 120.448 120.500 0.326 0.000 2.091 223 R HA -0.225 3.929 4.340 -0.310 0.000 0.238 223 R C 1.796 178.087 176.300 -0.016 0.000 1.136 223 R CA 2.110 58.211 56.100 0.001 0.000 0.959 223 R CB -0.418 29.842 30.300 -0.066 0.000 0.856 223 R HN 0.499 nan 8.270 nan 0.000 0.437 224 D N -0.728 119.707 120.400 0.058 0.000 2.117 224 D HA -0.130 4.324 4.640 -0.310 0.000 0.198 224 D C 1.855 178.167 176.300 0.021 0.000 0.982 224 D CA 2.090 56.109 54.000 0.032 0.000 0.828 224 D CB -0.034 40.806 40.800 0.067 0.000 0.967 224 D HN 0.440 nan 8.370 nan 0.000 0.464 225 T N -1.596 113.019 114.554 0.102 0.000 2.821 225 T HA -0.102 4.062 4.350 -0.310 0.000 0.267 225 T C 2.270 177.080 174.700 0.184 0.000 1.046 225 T CA 0.877 63.059 62.100 0.137 0.000 1.139 225 T CB -0.613 68.359 68.868 0.174 0.000 0.871 225 T HN 0.145 nan 8.240 nan 0.000 0.454 226 L N 1.357 122.657 121.223 0.128 0.000 2.027 226 L HA 0.002 4.156 4.340 -0.310 0.000 0.206 226 L C 3.085 179.875 176.870 -0.133 0.000 1.074 226 L CA 1.710 56.519 54.840 -0.053 0.000 0.745 226 L CB -0.521 41.443 42.059 -0.158 0.000 0.898 226 L HN 0.322 nan 8.230 nan 0.000 0.433 227 R N 0.417 120.750 120.500 -0.278 0.000 2.081 227 R HA -0.187 3.967 4.340 -0.310 0.000 0.235 227 R C 2.036 178.178 176.300 -0.263 0.000 1.131 227 R CA 1.547 57.337 56.100 -0.516 0.000 0.960 227 R CB -1.221 28.320 30.300 -1.265 0.000 0.856 227 R HN 0.180 nan 8.270 nan 0.000 0.436 228 L N 1.227 122.365 121.223 -0.141 0.000 2.072 228 L HA 0.017 4.171 4.340 -0.310 0.000 0.205 228 L C 1.819 178.712 176.870 0.038 0.000 1.079 228 L CA 1.766 56.578 54.840 -0.047 0.000 0.752 228 L CB -0.647 41.373 42.059 -0.065 0.000 0.906 228 L HN 0.349 nan 8.230 nan 0.000 0.436 229 E N -0.395 119.817 120.200 0.019 0.000 2.118 229 E HA -0.199 3.966 4.350 -0.310 0.000 0.195 229 E C 1.919 178.648 176.600 0.216 0.000 0.992 229 E CA 1.169 57.651 56.400 0.136 0.000 0.804 229 E CB -0.239 29.527 29.700 0.110 0.000 0.741 229 E HN 0.613 nan 8.360 nan 0.000 0.458 230 A N 0.193 123.052 122.820 0.066 0.000 2.238 230 A HA 0.217 4.351 4.320 -0.310 0.000 0.208 230 A C 1.611 179.203 177.584 0.013 0.000 1.177 230 A CA 0.776 52.819 52.037 0.010 0.000 0.804 230 A CB -0.282 18.680 19.000 -0.064 0.000 0.823 230 A HN 0.322 nan 8.150 nan 0.000 0.482 231 G N -1.124 107.730 108.800 0.091 0.000 2.198 231 G HA2 -0.251 3.523 3.960 -0.310 0.000 0.257 231 G HA3 -0.251 3.523 3.960 -0.310 0.000 0.257 231 G C 0.003 174.932 174.900 0.049 0.000 1.042 231 G CA 0.537 45.688 45.100 0.085 0.000 0.791 231 G HN 0.432 nan 8.290 nan 0.000 0.502 232 M N 0.201 119.805 119.600 0.006 0.000 2.363 232 M HA 0.385 4.679 4.480 -0.310 0.000 0.343 232 M C 0.195 176.564 176.300 0.115 0.000 1.165 232 M CA -0.911 54.409 55.300 0.033 0.000 1.046 232 M CB 1.037 33.597 32.600 -0.066 0.000 1.648 232 M HN 0.067 nan 8.290 nan 0.000 0.452 233 N N 1.889 120.734 118.700 0.241 0.000 2.513 233 N HA 0.459 5.013 4.740 -0.310 0.000 0.274 233 N C -1.343 174.373 175.510 0.343 0.000 1.189 233 N CA -0.412 52.793 53.050 0.259 0.000 0.975 233 N CB 0.947 39.603 38.487 0.281 0.000 1.157 233 N HN 0.413 nan 8.380 nan 0.000 0.465 234 L N 2.540 123.926 121.223 0.271 0.000 2.325 234 L HA 0.352 4.506 4.340 -0.310 0.000 0.281 234 L C -1.049 175.950 176.870 0.216 0.000 1.004 234 L CA -0.849 54.171 54.840 0.301 0.000 0.823 234 L CB 0.514 42.738 42.059 0.277 0.000 1.236 234 L HN 0.435 nan 8.230 nan 0.000 0.415 235 Y N 5.525 125.906 120.300 0.135 0.000 2.717 235 Y HA 0.386 4.735 4.550 -0.334 0.000 0.330 235 Y C 1.390 177.335 175.900 0.076 0.000 1.217 235 Y CA 1.575 59.722 58.100 0.079 0.000 1.506 235 Y CB 0.799 39.278 38.460 0.030 0.000 1.268 235 Y HN 0.926 nan 8.280 nan 0.000 0.561 236 G N 3.546 111.904 108.800 -0.736 0.000 2.232 236 G HA2 -0.261 3.514 3.960 -0.310 0.000 0.226 236 G HA3 -0.261 3.514 3.960 -0.310 0.000 0.226 236 G C 0.730 175.518 174.900 -0.187 0.000 0.996 236 G CA 0.598 45.453 45.100 -0.409 0.000 0.626 236 G HN 0.608 nan 8.290 nan 0.000 0.509 237 Q N -0.952 118.783 119.800 -0.109 0.000 2.652 237 Q HA 0.252 4.406 4.340 -0.310 0.000 0.211 237 Q C 2.024 178.011 176.000 -0.022 0.000 0.858 237 Q CA 0.570 56.359 55.803 -0.023 0.000 0.895 237 Q CB 0.135 28.902 28.738 0.048 0.000 1.194 237 Q HN 0.275 nan 8.270 nan 0.000 0.645 238 E N 0.424 120.631 120.200 0.011 0.000 2.268 238 E HA -0.045 4.119 4.350 -0.310 0.000 0.195 238 E C 0.543 177.140 176.600 -0.005 0.000 0.995 238 E CA 0.872 57.292 56.400 0.034 0.000 0.836 238 E CB 0.331 30.087 29.700 0.093 0.000 0.763 238 E HN 0.235 nan 8.360 nan 0.000 0.491 239 M N -0.500 119.044 119.600 -0.093 0.000 2.644 239 M HA 0.536 4.830 4.480 -0.310 0.000 0.273 239 M C -1.765 174.290 176.300 -0.407 0.000 1.253 239 M CA -0.897 54.320 55.300 -0.137 0.000 0.852 239 M CB 2.043 34.631 32.600 -0.020 0.000 1.708 239 M HN -0.088 nan 8.290 nan 0.000 0.471 240 D N -0.525 119.698 120.400 -0.295 0.000 2.838 240 D HA 0.287 4.741 4.640 -0.310 0.000 0.334 240 D C -0.077 176.202 176.300 -0.035 0.000 1.315 240 D CA -0.412 53.367 54.000 -0.369 0.000 0.917 240 D CB 0.474 41.063 40.800 -0.351 0.000 1.435 240 D HN 0.658 nan 8.370 nan 0.000 0.517 241 E N -0.836 119.393 120.200 0.049 0.000 2.331 241 E HA -0.123 4.041 4.350 -0.310 0.000 0.199 241 E C 1.207 177.805 176.600 -0.004 0.000 1.008 241 E CA 1.792 58.207 56.400 0.024 0.000 0.843 241 E CB -0.266 29.438 29.700 0.006 0.000 0.761 241 E HN 0.643 nan 8.360 nan 0.000 0.507 242 T N -1.500 113.049 114.554 -0.008 0.000 3.107 242 T HA 0.106 4.270 4.350 -0.310 0.000 0.249 242 T C 0.731 175.432 174.700 0.001 0.000 1.096 242 T CA -0.151 61.948 62.100 -0.002 0.000 1.012 242 T CB 0.149 69.016 68.868 -0.002 0.000 0.977 242 T HN -0.149 nan 8.240 nan 0.000 0.527 243 I N 2.229 122.795 120.570 -0.007 0.000 2.404 243 I HA 0.429 4.413 4.170 -0.310 0.000 0.293 243 I C 0.439 176.564 176.117 0.013 0.000 0.992 243 I CA -1.117 60.184 61.300 0.003 0.000 1.149 243 I CB 1.316 39.309 38.000 -0.013 0.000 1.315 243 I HN 0.163 nan 8.210 nan 0.000 0.446 244 S N 8.127 123.844 115.700 0.028 0.000 2.576 244 S HA 0.259 4.543 4.470 -0.310 0.000 0.276 244 S C -1.193 173.424 174.600 0.029 0.000 1.339 244 S CA -0.869 57.351 58.200 0.033 0.000 1.039 244 S CB 0.803 64.037 63.200 0.057 0.000 0.902 244 S HN 0.489 nan 8.310 nan 0.000 0.516 245 P HA -0.094 nan 4.420 nan 0.000 0.221 245 P C 1.274 178.595 177.300 0.035 0.000 1.145 245 P CA 1.089 64.187 63.100 -0.004 0.000 0.795 245 P CB -0.085 31.570 31.700 -0.076 0.000 0.775 246 L N -0.968 120.294 121.223 0.065 0.000 2.291 246 L HA 0.014 4.168 4.340 -0.310 0.000 0.214 246 L C 2.309 179.231 176.870 0.087 0.000 1.120 246 L CA 1.058 55.956 54.840 0.098 0.000 0.799 246 L CB -0.870 41.266 42.059 0.128 0.000 0.925 246 L HN -0.078 nan 8.230 nan 0.000 0.446 247 A N -0.339 122.525 122.820 0.072 0.000 2.337 247 A HA 0.504 4.638 4.320 -0.310 0.000 0.227 247 A C 1.519 179.144 177.584 0.067 0.000 1.259 247 A CA 0.684 52.762 52.037 0.067 0.000 0.870 247 A CB -0.178 18.857 19.000 0.059 0.000 0.927 247 A HN 0.276 nan 8.150 nan 0.000 0.497 248 A N -0.489 122.377 122.820 0.077 0.000 2.605 248 A HA 0.449 4.583 4.320 -0.310 0.000 0.292 248 A C 0.526 178.189 177.584 0.131 0.000 1.055 248 A CA 0.197 52.287 52.037 0.089 0.000 0.969 248 A CB -0.479 18.564 19.000 0.073 0.000 1.236 248 A HN 0.561 nan 8.150 nan 0.000 0.534 249 N N -0.768 118.017 118.700 0.142 0.000 2.735 249 N HA -0.193 4.361 4.740 -0.310 0.000 0.248 249 N C 0.283 175.987 175.510 0.322 0.000 1.083 249 N CA 1.633 54.808 53.050 0.209 0.000 0.703 249 N CB -1.532 37.065 38.487 0.183 0.000 1.005 249 N HN 0.604 nan 8.380 nan 0.000 0.550 250 M N -1.934 117.770 119.600 0.173 0.000 2.347 250 M HA 0.264 4.558 4.480 -0.310 0.000 0.302 250 M C 1.900 178.121 176.300 -0.131 0.000 1.051 250 M CA 0.367 55.652 55.300 -0.025 0.000 0.988 250 M CB 0.461 33.020 32.600 -0.069 0.000 1.475 250 M HN 0.295 nan 8.290 nan 0.000 0.530 251 G N 1.656 110.500 108.800 0.073 0.000 2.469 251 G HA2 -0.238 3.536 3.960 -0.310 0.000 0.219 251 G HA3 -0.238 3.536 3.960 -0.310 0.000 0.219 251 G C 1.192 176.144 174.900 0.087 0.000 1.150 251 G CA 0.963 46.130 45.100 0.111 0.000 0.763 251 G HN 0.787 nan 8.290 nan 0.000 0.561 252 W N 1.998 123.316 121.300 0.032 0.000 2.468 252 W HA -0.040 4.411 4.660 -0.348 0.000 0.262 252 W C 1.535 178.031 176.519 -0.039 0.000 1.241 252 W CA 1.688 59.039 57.345 0.010 0.000 1.232 252 W CB -1.243 28.220 29.460 0.005 0.000 1.124 252 W HN 0.325 nan 8.180 nan 0.000 0.597 253 T N -1.372 112.703 114.554 -0.799 0.000 3.060 253 T HA 0.161 4.325 4.350 -0.310 0.000 0.249 253 T C 0.840 175.181 174.700 -0.599 0.000 1.079 253 T CA -0.177 61.389 62.100 -0.891 0.000 1.013 253 T CB -0.405 67.782 68.868 -1.134 0.000 0.975 253 T HN -0.118 nan 8.240 nan 0.000 0.518 254 I N 2.846 123.110 120.570 -0.509 0.000 2.436 254 I HA 0.383 4.368 4.170 -0.310 0.000 0.289 254 I C 0.720 176.464 176.117 -0.620 0.000 1.083 254 I CA -1.029 59.859 61.300 -0.687 0.000 1.372 254 I CB -0.356 37.119 38.000 -0.875 0.000 1.408 254 I HN 0.266 nan 8.210 nan 0.000 0.516 255 A N 7.002 129.477 122.820 -0.575 0.000 2.798 255 A HA 0.215 4.349 4.320 -0.310 0.000 0.316 255 A C 0.725 178.201 177.584 -0.180 0.000 1.506 255 A CA -0.587 51.264 52.037 -0.310 0.000 1.162 255 A CB -0.431 18.412 19.000 -0.261 0.000 1.138 255 A HN 0.829 nan 8.150 nan 0.000 0.532 256 W N 0.922 122.236 121.300 0.024 0.000 2.374 256 W HA -0.049 4.429 4.660 -0.304 0.000 0.288 256 W C 0.632 177.188 176.519 0.062 0.000 1.218 256 W CA 0.566 57.958 57.345 0.078 0.000 1.245 256 W CB 0.314 29.804 29.460 0.049 0.000 1.126 256 W HN 0.441 nan 8.180 nan 0.000 0.545 257 E N 0.998 121.338 120.200 0.234 0.000 2.191 257 E HA 0.223 4.388 4.350 -0.310 0.000 0.278 257 E C -2.076 174.573 176.600 0.081 0.000 0.972 257 E CA -2.371 54.114 56.400 0.142 0.000 0.804 257 E CB 0.452 30.218 29.700 0.110 0.000 1.110 257 E HN -0.123 nan 8.360 nan 0.000 0.394 258 P HA 0.188 nan 4.420 nan 0.000 0.284 258 P C 0.231 177.596 177.300 0.109 0.000 1.253 258 P CA -0.276 62.870 63.100 0.078 0.000 0.800 258 P CB 1.296 33.028 31.700 0.054 0.000 0.961 259 A N 3.145 126.029 122.820 0.106 0.000 1.986 259 A HA -0.217 3.917 4.320 -0.310 0.000 0.220 259 A C 1.430 179.068 177.584 0.090 0.000 1.171 259 A CA 2.102 54.206 52.037 0.112 0.000 0.640 259 A CB -1.151 17.894 19.000 0.076 0.000 0.811 259 A HN 0.669 nan 8.150 nan 0.000 0.451 260 D N -1.226 119.217 120.400 0.072 0.000 2.349 260 D HA -0.030 4.424 4.640 -0.310 0.000 0.224 260 D C 0.852 177.195 176.300 0.072 0.000 1.029 260 D CA -0.075 53.960 54.000 0.059 0.000 0.879 260 D CB -0.446 40.381 40.800 0.045 0.000 0.906 260 D HN 0.400 nan 8.370 nan 0.000 0.528 261 R N 1.113 121.672 120.500 0.098 0.000 2.220 261 R HA 0.143 4.297 4.340 -0.310 0.000 0.340 261 R C -0.906 175.487 176.300 0.155 0.000 1.076 261 R CA -0.541 55.636 56.100 0.129 0.000 0.920 261 R CB 0.205 30.584 30.300 0.133 0.000 1.062 261 R HN -0.095 nan 8.270 nan 0.000 0.469 262 D N 4.303 124.780 120.400 0.128 0.000 2.302 262 D HA 0.206 4.660 4.640 -0.310 0.000 0.248 262 D C -0.923 175.501 176.300 0.207 0.000 1.094 262 D CA 0.007 54.045 54.000 0.064 0.000 0.897 262 D CB 0.508 41.369 40.800 0.102 0.000 1.200 262 D HN 0.348 nan 8.370 nan 0.000 0.429 263 F N 0.659 120.628 119.950 0.030 0.000 2.626 263 F HA 0.523 4.868 4.527 -0.303 0.000 0.311 263 F C -0.533 175.119 175.800 -0.247 0.000 1.088 263 F CA -1.439 56.461 58.000 -0.167 0.000 0.949 263 F CB 0.427 39.288 39.000 -0.232 0.000 1.322 263 F HN 0.109 nan 8.300 nan 0.000 0.461 264 I N 2.134 122.532 120.570 -0.286 0.000 2.683 264 I HA 0.317 4.301 4.170 -0.310 0.000 0.286 264 I C 1.271 177.367 176.117 -0.035 0.000 1.175 264 I CA 1.195 62.366 61.300 -0.215 0.000 1.429 264 I CB 0.306 38.144 38.000 -0.270 0.000 1.371 264 I HN 1.120 nan 8.210 nan 0.000 0.569 265 G N 4.998 113.760 108.800 -0.064 0.000 2.205 265 G HA2 -0.344 3.430 3.960 -0.310 0.000 0.261 265 G HA3 -0.344 3.430 3.960 -0.310 0.000 0.261 265 G C 1.315 176.124 174.900 -0.151 0.000 0.980 265 G CA 0.589 45.659 45.100 -0.049 0.000 0.632 265 G HN 0.734 nan 8.290 nan 0.000 0.533 266 R N 0.835 121.043 120.500 -0.486 0.000 2.081 266 R HA -0.040 4.115 4.340 -0.310 0.000 0.235 266 R C 2.206 178.350 176.300 -0.260 0.000 1.131 266 R CA 2.021 57.648 56.100 -0.788 0.000 0.960 266 R CB -0.400 28.924 30.300 -1.627 0.000 0.856 266 R HN 0.602 nan 8.270 nan 0.000 0.436 267 E N -0.146 119.939 120.200 -0.191 0.000 2.051 267 E HA -0.214 3.951 4.350 -0.310 0.000 0.192 267 E C 1.821 178.404 176.600 -0.028 0.000 0.991 267 E CA 1.357 57.713 56.400 -0.073 0.000 0.799 267 E CB -0.164 29.507 29.700 -0.049 0.000 0.748 267 E HN 0.496 nan 8.360 nan 0.000 0.449 268 A N 0.870 123.678 122.820 -0.021 0.000 1.902 268 A HA -0.175 3.960 4.320 -0.310 0.000 0.217 268 A C 2.131 179.732 177.584 0.029 0.000 1.181 268 A CA 1.282 53.322 52.037 0.006 0.000 0.623 268 A CB -0.637 18.373 19.000 0.016 0.000 0.818 268 A HN 0.380 nan 8.150 nan 0.000 0.443 269 L N -0.202 121.055 121.223 0.058 0.000 2.141 269 L HA -0.109 4.045 4.340 -0.310 0.000 0.209 269 L C 2.269 179.277 176.870 0.229 0.000 1.094 269 L CA 2.525 57.456 54.840 0.153 0.000 0.763 269 L CB -0.465 41.701 42.059 0.178 0.000 0.908 269 L HN 0.548 nan 8.230 nan 0.000 0.437 270 E N -0.979 119.331 120.200 0.184 0.000 2.072 270 E HA -0.158 4.006 4.350 -0.310 0.000 0.191 270 E C 2.041 178.597 176.600 -0.072 0.000 0.985 270 E CA 1.716 58.158 56.400 0.071 0.000 0.801 270 E CB -0.298 29.426 29.700 0.041 0.000 0.750 270 E HN 0.295 nan 8.360 nan 0.000 0.452 271 V N 0.684 120.541 119.914 -0.094 0.000 2.255 271 V HA -0.287 3.647 4.120 -0.310 0.000 0.247 271 V C 2.543 178.424 176.094 -0.355 0.000 1.051 271 V CA 2.147 64.301 62.300 -0.243 0.000 1.018 271 V CB -0.849 30.869 31.823 -0.176 0.000 0.641 271 V HN 0.312 nan 8.190 nan 0.000 0.445 272 Q N 0.381 120.101 119.800 -0.133 0.000 2.077 272 Q HA -0.255 3.899 4.340 -0.310 0.000 0.206 272 Q C 2.347 178.340 176.000 -0.012 0.000 0.989 272 Q CA 2.313 58.104 55.803 -0.020 0.000 0.853 272 Q CB -0.528 28.251 28.738 0.069 0.000 0.907 272 Q HN 0.580 nan 8.270 nan 0.000 0.418 273 R N -0.220 120.278 120.500 -0.004 0.000 2.120 273 R HA -0.139 4.015 4.340 -0.310 0.000 0.234 273 R C 1.765 178.022 176.300 -0.072 0.000 1.123 273 R CA 1.618 57.709 56.100 -0.016 0.000 0.975 273 R CB -0.015 30.247 30.300 -0.064 0.000 0.866 273 R HN 0.380 nan 8.270 nan 0.000 0.446 274 E N -0.943 119.177 120.200 -0.134 0.000 2.076 274 E HA -0.138 4.027 4.350 -0.310 0.000 0.190 274 E C 1.886 178.469 176.600 -0.029 0.000 0.979 274 E CA 0.815 57.144 56.400 -0.117 0.000 0.807 274 E CB -0.050 29.556 29.700 -0.157 0.000 0.761 274 E HN 0.480 nan 8.360 nan 0.000 0.454 275 H N 0.116 119.185 119.070 -0.001 0.000 2.387 275 H HA 0.035 4.405 4.556 -0.310 0.000 0.299 275 H C 1.241 176.574 175.328 0.009 0.000 1.090 275 H CA 1.348 57.399 56.048 0.006 0.000 1.332 275 H CB -0.455 29.315 29.762 0.015 0.000 1.386 275 H HN 0.254 nan 8.280 nan 0.000 0.516 276 G N -0.135 108.738 108.800 0.123 0.000 2.663 276 G HA2 -0.029 3.745 3.960 -0.310 0.000 0.686 276 G HA3 -0.029 3.745 3.960 -0.310 0.000 0.686 276 G C -0.107 174.851 174.900 0.096 0.000 1.246 276 G CA -0.156 44.992 45.100 0.081 0.000 0.795 276 G HN 0.653 nan 8.290 nan 0.000 0.627 277 T N -1.741 112.859 114.554 0.076 0.000 2.865 277 T HA 0.783 4.947 4.350 -0.310 0.000 0.294 277 T C 0.196 174.935 174.700 0.064 0.000 1.119 277 T CA -0.137 62.008 62.100 0.076 0.000 1.007 277 T CB 2.203 71.119 68.868 0.080 0.000 1.225 277 T HN 0.829 nan 8.240 nan 0.000 0.515 278 E N 0.650 120.889 120.200 0.064 0.000 2.435 278 E HA 0.355 4.519 4.350 -0.310 0.000 0.254 278 E C -0.141 176.495 176.600 0.060 0.000 1.289 278 E CA -0.537 55.901 56.400 0.064 0.000 0.983 278 E CB 0.392 30.133 29.700 0.067 0.000 1.010 278 E HN 0.716 nan 8.360 nan 0.000 0.509 279 K N -0.240 120.194 120.400 0.056 0.000 2.508 279 K HA 0.503 4.638 4.320 -0.310 0.000 0.260 279 K C -1.511 175.120 176.600 0.052 0.000 0.949 279 K CA -0.909 55.409 56.287 0.051 0.000 0.834 279 K CB 1.125 33.645 32.500 0.034 0.000 1.365 279 K HN 0.258 nan 8.250 nan 0.000 0.437 280 L N 2.949 124.206 121.223 0.057 0.000 2.276 280 L HA 0.441 4.596 4.340 -0.310 0.000 0.286 280 L C -0.718 176.177 176.870 0.042 0.000 1.061 280 L CA -0.226 54.651 54.840 0.062 0.000 0.807 280 L CB 1.461 43.568 42.059 0.080 0.000 1.177 280 L HN 0.630 nan 8.230 nan 0.000 0.429 281 V N 2.026 121.965 119.914 0.042 0.000 3.046 281 V HA 0.949 4.883 4.120 -0.310 0.000 0.316 281 V C 0.281 176.405 176.094 0.050 0.000 1.104 281 V CA -0.356 61.952 62.300 0.013 0.000 1.006 281 V CB 1.310 33.128 31.823 -0.008 0.000 1.058 281 V HN 0.828 nan 8.190 nan 0.000 0.440 282 G N 1.320 110.118 108.800 -0.004 0.000 2.444 282 G HA2 0.617 4.391 3.960 -0.310 0.000 0.268 282 G HA3 0.617 4.391 3.960 -0.310 0.000 0.268 282 G C -0.887 174.113 174.900 0.167 0.000 1.203 282 G CA -0.690 44.476 45.100 0.111 0.000 0.835 282 G HN 0.835 nan 8.290 nan 0.000 0.543 283 L N 1.252 122.657 121.223 0.302 0.000 2.381 283 L HA 0.560 4.714 4.340 -0.310 0.000 0.268 283 L C -0.684 176.309 176.870 0.206 0.000 0.997 283 L CA -1.125 53.824 54.840 0.182 0.000 0.818 283 L CB 2.490 44.613 42.059 0.107 0.000 1.310 283 L HN 0.184 nan 8.230 nan 0.000 0.416 284 V N 3.378 123.360 119.914 0.113 0.000 2.483 284 V HA 0.394 4.329 4.120 -0.310 0.000 0.297 284 V C -0.263 175.805 176.094 -0.044 0.000 1.027 284 V CA -0.323 62.005 62.300 0.047 0.000 0.855 284 V CB 1.965 33.828 31.823 0.067 0.000 0.995 284 V HN 0.779 nan 8.190 nan 0.000 0.424 285 M N 4.618 124.184 119.600 -0.057 0.000 2.055 285 M HA 0.238 4.532 4.480 -0.310 0.000 0.346 285 M C 1.166 177.375 176.300 -0.152 0.000 1.074 285 M CA -0.371 54.885 55.300 -0.073 0.000 1.009 285 M CB 1.248 33.845 32.600 -0.006 0.000 1.423 285 M HN 0.880 nan 8.290 nan 0.000 0.410 286 T N -0.020 114.322 114.554 -0.354 0.000 3.055 286 T HA 0.037 4.202 4.350 -0.310 0.000 0.265 286 T C 0.669 175.275 174.700 -0.156 0.000 1.111 286 T CA 0.237 61.926 62.100 -0.685 0.000 1.118 286 T CB -0.159 68.181 68.868 -0.881 0.000 0.909 286 T HN 0.717 nan 8.240 nan 0.000 0.501 287 E N 1.759 121.923 120.200 -0.061 0.000 2.345 287 E HA 0.184 4.348 4.350 -0.310 0.000 0.259 287 E C -0.358 176.289 176.600 0.078 0.000 1.117 287 E CA -0.771 55.642 56.400 0.022 0.000 0.913 287 E CB 0.986 30.690 29.700 0.007 0.000 1.057 287 E HN 0.286 nan 8.360 nan 0.000 0.432 288 K N 0.476 120.927 120.400 0.084 0.000 2.451 288 K HA 0.294 4.428 4.320 -0.310 0.000 0.280 288 K C -0.066 176.580 176.600 0.077 0.000 1.020 288 K CA 0.985 57.328 56.287 0.094 0.000 1.008 288 K CB -0.146 32.392 32.500 0.063 0.000 0.917 288 K HN 0.774 nan 8.250 nan 0.000 0.478 289 G N 0.918 109.774 108.800 0.094 0.000 2.361 289 G HA2 0.090 3.864 3.960 -0.310 0.000 0.331 289 G HA3 0.090 3.864 3.960 -0.310 0.000 0.331 289 G C -1.775 173.192 174.900 0.112 0.000 1.324 289 G CA -0.775 44.370 45.100 0.074 0.000 0.984 289 G HN 0.493 nan 8.290 nan 0.000 0.586 290 V N 0.630 120.595 119.914 0.085 0.000 2.577 290 V HA 0.569 4.503 4.120 -0.310 0.000 0.303 290 V C 0.563 176.695 176.094 0.064 0.000 1.042 290 V CA -0.741 61.620 62.300 0.102 0.000 0.872 290 V CB 1.453 33.333 31.823 0.096 0.000 0.998 290 V HN 0.773 nan 8.190 nan 0.000 0.423 291 L N 5.371 126.627 121.223 0.054 0.000 2.426 291 L HA 0.517 4.671 4.340 -0.310 0.000 0.271 291 L C 0.308 177.200 176.870 0.035 0.000 1.169 291 L CA -0.143 54.719 54.840 0.036 0.000 0.836 291 L CB 0.385 42.457 42.059 0.022 0.000 1.112 291 L HN 0.542 nan 8.230 nan 0.000 0.465 292 R N 1.528 122.049 120.500 0.035 0.000 2.803 292 R HA 0.373 4.527 4.340 -0.310 0.000 0.276 292 R C -0.770 175.552 176.300 0.037 0.000 0.978 292 R CA -1.332 54.790 56.100 0.036 0.000 0.939 292 R CB 0.985 31.306 30.300 0.035 0.000 1.179 292 R HN 0.462 nan 8.270 nan 0.000 0.472 293 N N 2.267 120.991 118.700 0.040 0.000 2.353 293 N HA -0.064 4.491 4.740 -0.310 0.000 0.248 293 N C 0.232 175.764 175.510 0.037 0.000 1.240 293 N CA 0.717 53.792 53.050 0.042 0.000 0.862 293 N CB 0.207 38.722 38.487 0.047 0.000 1.086 293 N HN 0.564 nan 8.380 nan 0.000 0.453 294 E N -2.343 117.879 120.200 0.036 0.000 4.028 294 E HA -0.237 3.928 4.350 -0.310 0.000 0.343 294 E C -0.616 176.003 176.600 0.031 0.000 0.700 294 E CA 0.296 56.715 56.400 0.032 0.000 1.288 294 E CB -1.107 28.610 29.700 0.028 0.000 1.677 294 E HN 0.258 nan 8.360 nan 0.000 0.424 295 L N 1.782 123.025 121.223 0.034 0.000 2.456 295 L HA 0.183 4.337 4.340 -0.310 0.000 0.272 295 L C -1.823 175.069 176.870 0.037 0.000 1.189 295 L CA -1.070 53.789 54.840 0.033 0.000 0.846 295 L CB -0.454 41.626 42.059 0.034 0.000 1.111 295 L HN -0.166 nan 8.230 nan 0.000 0.475 296 P HA 0.173 nan 4.420 nan 0.000 0.271 296 P C -0.965 176.364 177.300 0.048 0.000 1.216 296 P CA -0.183 62.939 63.100 0.036 0.000 0.776 296 P CB 0.796 32.510 31.700 0.024 0.000 0.881 297 V N 5.154 125.107 119.914 0.065 0.000 2.540 297 V HA 0.490 4.425 4.120 -0.310 0.000 0.302 297 V C 0.355 176.516 176.094 0.112 0.000 1.035 297 V CA -0.507 61.849 62.300 0.093 0.000 0.873 297 V CB 1.579 33.471 31.823 0.115 0.000 0.992 297 V HN 0.483 nan 8.190 nan 0.000 0.428 298 R N 3.934 124.506 120.500 0.119 0.000 2.744 298 R HA 0.815 4.969 4.340 -0.310 0.000 0.279 298 R C -1.481 174.935 176.300 0.194 0.000 0.977 298 R CA -0.578 55.574 56.100 0.085 0.000 0.906 298 R CB 2.651 32.962 30.300 0.017 0.000 1.197 298 R HN 0.722 nan 8.270 nan 0.000 0.463 299 F N -2.099 117.893 119.950 0.070 0.000 2.654 299 F HA 0.552 4.893 4.527 -0.310 0.000 0.308 299 F C -1.193 174.673 175.800 0.110 0.000 1.108 299 F CA -0.859 57.184 58.000 0.071 0.000 0.957 299 F CB 1.973 41.008 39.000 0.058 0.000 1.309 299 F HN 0.177 nan 8.300 nan 0.000 0.446 300 T N 2.281 116.967 114.554 0.221 0.000 2.770 300 T HA 0.377 4.541 4.350 -0.310 0.000 0.283 300 T C -0.716 174.145 174.700 0.267 0.000 0.988 300 T CA -0.541 61.635 62.100 0.127 0.000 0.957 300 T CB 0.928 69.835 68.868 0.065 0.000 0.930 300 T HN 0.772 nan 8.240 nan 0.000 0.443 301 D N 2.245 122.823 120.400 0.297 0.000 2.393 301 D HA 0.368 4.822 4.640 -0.310 0.000 0.246 301 D C 1.532 177.929 176.300 0.161 0.000 1.275 301 D CA -0.534 53.642 54.000 0.292 0.000 0.979 301 D CB 0.359 41.342 40.800 0.305 0.000 1.101 301 D HN 0.392 nan 8.370 nan 0.000 0.505 302 A N -0.542 122.349 122.820 0.119 0.000 2.024 302 A HA -0.237 3.897 4.320 -0.310 0.000 0.220 302 A C 1.963 179.585 177.584 0.063 0.000 1.164 302 A CA 1.526 53.607 52.037 0.074 0.000 0.643 302 A CB -0.764 18.267 19.000 0.053 0.000 0.806 302 A HN 0.508 nan 8.150 nan 0.000 0.451 303 Q N -1.867 117.977 119.800 0.074 0.000 2.432 303 Q HA 0.288 4.442 4.340 -0.310 0.000 0.205 303 Q C 1.321 177.345 176.000 0.039 0.000 0.945 303 Q CA 1.002 56.837 55.803 0.054 0.000 0.924 303 Q CB 0.092 28.865 28.738 0.059 0.000 1.016 303 Q HN 0.966 nan 8.270 nan 0.000 0.503 304 G N -0.334 108.494 108.800 0.046 0.000 2.163 304 G HA2 -0.191 3.583 3.960 -0.310 0.000 0.213 304 G HA3 -0.191 3.583 3.960 -0.310 0.000 0.213 304 G C -0.271 174.623 174.900 -0.011 0.000 0.991 304 G CA -0.344 44.769 45.100 0.020 0.000 0.653 304 G HN 0.230 nan 8.290 nan 0.000 0.518 305 N N 1.265 119.958 118.700 -0.011 0.000 2.455 305 N HA 0.325 4.879 4.740 -0.310 0.000 0.280 305 N C 0.059 175.411 175.510 -0.264 0.000 1.055 305 N CA -0.040 52.934 53.050 -0.128 0.000 0.961 305 N CB 0.944 39.358 38.487 -0.122 0.000 1.121 305 N HN 0.411 nan 8.380 nan 0.000 0.476 306 Q N 1.597 121.177 119.800 -0.366 0.000 2.261 306 Q HA 0.248 4.402 4.340 -0.310 0.000 0.252 306 Q C -0.465 175.091 176.000 -0.741 0.000 0.915 306 Q CA -0.045 55.519 55.803 -0.399 0.000 0.915 306 Q CB 1.211 29.806 28.738 -0.239 0.000 1.204 306 Q HN 0.509 nan 8.270 nan 0.000 0.421 307 H N 0.912 119.660 119.070 -0.537 0.000 2.747 307 H HA 0.399 4.769 4.556 -0.310 0.000 0.371 307 H C -0.958 174.112 175.328 -0.430 0.000 1.161 307 H CA -0.573 55.142 56.048 -0.555 0.000 1.167 307 H CB 2.282 31.516 29.762 -0.880 0.000 1.732 307 H HN 0.611 nan 8.280 nan 0.000 0.544 308 E N 0.921 121.066 120.200 -0.092 0.000 2.248 308 E HA 0.528 4.692 4.350 -0.310 0.000 0.267 308 E C -0.864 175.768 176.600 0.053 0.000 0.877 308 E CA -0.801 55.586 56.400 -0.022 0.000 0.759 308 E CB 2.006 31.689 29.700 -0.028 0.000 1.182 308 E HN 0.818 nan 8.360 nan 0.000 0.418 309 G N 3.140 111.994 108.800 0.091 0.000 3.243 309 G HA2 0.699 4.473 3.960 -0.310 0.000 0.248 309 G HA3 0.699 4.473 3.960 -0.310 0.000 0.248 309 G C -1.295 173.650 174.900 0.076 0.000 1.267 309 G CA -0.655 44.505 45.100 0.101 0.000 0.906 309 G HN 0.564 nan 8.290 nan 0.000 0.592 310 I N -0.484 120.130 120.570 0.074 0.000 2.775 310 I HA 0.420 4.404 4.170 -0.310 0.000 0.295 310 I C -0.967 175.186 176.117 0.060 0.000 1.287 310 I CA -1.065 60.269 61.300 0.058 0.000 1.029 310 I CB 2.149 40.175 38.000 0.044 0.000 1.282 310 I HN 0.359 nan 8.210 nan 0.000 0.426 311 I N 5.985 126.587 120.570 0.055 0.000 2.533 311 I HA 0.057 4.042 4.170 -0.310 0.000 0.284 311 I C 1.418 177.565 176.117 0.050 0.000 1.109 311 I CA 0.247 61.580 61.300 0.055 0.000 1.412 311 I CB 1.450 39.479 38.000 0.049 0.000 1.396 311 I HN 0.729 nan 8.210 nan 0.000 0.543 312 T N 0.647 115.234 114.554 0.055 0.000 3.010 312 T HA 0.098 4.262 4.350 -0.310 0.000 0.252 312 T C 0.710 175.442 174.700 0.053 0.000 1.047 312 T CA 0.107 62.236 62.100 0.049 0.000 1.140 312 T CB 0.245 69.143 68.868 0.050 0.000 0.885 312 T HN 0.459 nan 8.240 nan 0.000 0.464 313 S N 0.024 115.759 115.700 0.058 0.000 2.619 313 S HA 0.691 4.975 4.470 -0.310 0.000 0.280 313 S C -0.343 174.276 174.600 0.031 0.000 1.150 313 S CA -0.867 57.364 58.200 0.051 0.000 0.978 313 S CB 1.907 65.143 63.200 0.060 0.000 1.041 313 S HN 0.762 nan 8.310 nan 0.000 0.485 314 G N 0.672 109.486 108.800 0.023 0.000 2.482 314 G HA2 0.775 4.549 3.960 -0.310 0.000 0.317 314 G HA3 0.775 4.549 3.960 -0.310 0.000 0.317 314 G C -0.845 174.056 174.900 0.002 0.000 1.241 314 G CA -0.530 44.571 45.100 0.002 0.000 0.967 314 G HN 0.659 nan 8.290 nan 0.000 0.482 315 T N -0.451 114.089 114.554 -0.023 0.000 2.693 315 T HA 0.505 4.669 4.350 -0.310 0.000 0.304 315 T C -1.955 172.762 174.700 0.029 0.000 1.471 315 T CA -0.542 61.565 62.100 0.011 0.000 0.993 315 T CB 1.108 69.970 68.868 -0.010 0.000 1.554 315 T HN 0.514 nan 8.240 nan 0.000 0.496 316 F N 2.412 122.319 119.950 -0.071 0.000 2.411 316 F HA 0.641 4.982 4.527 -0.310 0.000 0.350 316 F C 0.417 176.139 175.800 -0.131 0.000 1.114 316 F CA -0.384 57.566 58.000 -0.083 0.000 1.135 316 F CB 1.225 40.184 39.000 -0.068 0.000 1.120 316 F HN 0.356 nan 8.300 nan 0.000 0.495 317 S N 8.133 123.363 115.700 -0.783 0.000 2.416 317 S HA 0.319 4.603 4.470 -0.310 0.000 0.287 317 S C -1.810 172.300 174.600 -0.816 0.000 1.139 317 S CA -1.403 56.411 58.200 -0.643 0.000 1.058 317 S CB 0.821 63.736 63.200 -0.475 0.000 0.967 317 S HN 0.535 nan 8.310 nan 0.000 0.495 318 P HA -0.020 nan 4.420 nan 0.000 0.219 318 P C 1.346 178.513 177.300 -0.222 0.000 1.150 318 P CA 0.962 63.884 63.100 -0.298 0.000 0.814 318 P CB 0.046 31.503 31.700 -0.405 0.000 0.787 319 T N -0.409 114.041 114.554 -0.172 0.000 2.777 319 T HA -0.037 4.127 4.350 -0.310 0.000 0.266 319 T C 1.629 176.273 174.700 -0.094 0.000 1.040 319 T CA 1.035 63.128 62.100 -0.011 0.000 1.141 319 T CB -0.609 68.335 68.868 0.127 0.000 0.868 319 T HN 0.054 nan 8.240 nan 0.000 0.444 320 L N -0.163 120.952 121.223 -0.180 0.000 2.202 320 L HA 0.238 4.392 4.340 -0.310 0.000 0.205 320 L C 2.116 178.730 176.870 -0.426 0.000 1.083 320 L CA 0.915 55.643 54.840 -0.187 0.000 0.790 320 L CB -0.787 41.238 42.059 -0.057 0.000 0.942 320 L HN 0.526 nan 8.230 nan 0.000 0.452 321 G N -0.758 107.701 108.800 -0.568 0.000 2.132 321 G HA2 -0.267 3.507 3.960 -0.310 0.000 0.228 321 G HA3 -0.267 3.507 3.960 -0.310 0.000 0.228 321 G C -0.374 174.069 174.900 -0.762 0.000 1.000 321 G CA -0.185 44.556 45.100 -0.599 0.000 0.693 321 G HN 0.248 nan 8.290 nan 0.000 0.515 322 Y N -0.536 119.447 120.300 -0.528 0.000 2.615 322 Y HA 0.756 5.119 4.550 -0.312 0.000 0.341 322 Y C 0.459 176.079 175.900 -0.467 0.000 1.089 322 Y CA -1.006 56.921 58.100 -0.287 0.000 1.049 322 Y CB 1.338 39.709 38.460 -0.148 0.000 1.296 322 Y HN 0.196 nan 8.280 nan 0.000 0.470 323 S N 2.255 117.981 115.700 0.044 0.000 2.576 323 S HA 0.709 4.993 4.470 -0.310 0.000 0.276 323 S C -0.518 174.015 174.600 -0.112 0.000 1.339 323 S CA -0.349 57.834 58.200 -0.027 0.000 1.039 323 S CB -0.365 62.890 63.200 0.091 0.000 0.902 323 S HN 0.538 nan 8.310 nan 0.000 0.516 324 I N 0.523 120.954 120.570 -0.232 0.000 3.074 324 I HA 0.986 4.970 4.170 -0.310 0.000 0.310 324 I C -0.767 175.170 176.117 -0.299 0.000 1.153 324 I CA -1.293 59.771 61.300 -0.392 0.000 0.993 324 I CB 1.912 39.303 38.000 -1.014 0.000 1.237 324 I HN 0.720 nan 8.210 nan 0.000 0.443 325 A N 3.693 126.383 122.820 -0.216 0.000 2.612 325 A HA 0.759 4.893 4.320 -0.310 0.000 0.293 325 A C -1.620 176.047 177.584 0.138 0.000 1.075 325 A CA -0.659 51.350 52.037 -0.047 0.000 0.680 325 A CB 1.645 20.652 19.000 0.013 0.000 1.279 325 A HN 0.748 nan 8.150 nan 0.000 0.411 326 L N 0.771 122.076 121.223 0.135 0.000 2.322 326 L HA 0.798 4.952 4.340 -0.310 0.000 0.279 326 L C 0.363 177.301 176.870 0.114 0.000 1.036 326 L CA -0.414 54.529 54.840 0.173 0.000 0.807 326 L CB 1.832 43.987 42.059 0.159 0.000 1.226 326 L HN 0.991 nan 8.230 nan 0.000 0.433 327 A N 3.032 125.915 122.820 0.106 0.000 2.488 327 A HA 0.598 4.732 4.320 -0.310 0.000 0.298 327 A C -1.104 176.527 177.584 0.078 0.000 1.044 327 A CA -0.676 51.413 52.037 0.086 0.000 0.693 327 A CB 1.691 20.743 19.000 0.087 0.000 1.272 327 A HN 0.747 nan 8.150 nan 0.000 0.402 328 R N 1.468 122.011 120.500 0.073 0.000 2.229 328 R HA 0.648 4.802 4.340 -0.310 0.000 0.328 328 R C -0.849 175.502 176.300 0.085 0.000 1.009 328 R CA -0.206 55.936 56.100 0.070 0.000 0.864 328 R CB 0.867 31.202 30.300 0.058 0.000 1.085 328 R HN 1.101 nan 8.270 nan 0.000 0.453 329 V N 1.595 121.565 119.914 0.093 0.000 3.078 329 V HA 0.653 4.588 4.120 -0.310 0.000 0.311 329 V C -2.809 173.371 176.094 0.145 0.000 1.138 329 V CA -2.985 59.399 62.300 0.140 0.000 1.007 329 V CB 1.930 33.853 31.823 0.167 0.000 1.045 329 V HN 0.663 nan 8.190 nan 0.000 0.432 330 P HA 0.147 nan 4.420 nan 0.000 0.266 330 P C -0.161 177.224 177.300 0.142 0.000 1.195 330 P CA 0.269 63.473 63.100 0.173 0.000 0.768 330 P CB 0.293 32.110 31.700 0.195 0.000 0.838 331 E N 1.585 121.826 120.200 0.068 0.000 2.508 331 E HA 0.058 4.222 4.350 -0.310 0.000 0.266 331 E C 1.523 178.120 176.600 -0.005 0.000 1.010 331 E CA 1.770 58.180 56.400 0.017 0.000 0.955 331 E CB -0.087 29.621 29.700 0.014 0.000 0.946 331 E HN 0.801 nan 8.360 nan 0.000 0.454 332 G N 2.896 111.650 108.800 -0.076 0.000 2.175 332 G HA2 -0.303 3.471 3.960 -0.310 0.000 0.244 332 G HA3 -0.303 3.471 3.960 -0.310 0.000 0.244 332 G C 0.538 175.243 174.900 -0.324 0.000 0.982 332 G CA 0.117 45.152 45.100 -0.110 0.000 0.641 332 G HN 0.559 nan 8.290 nan 0.000 0.527 333 I N 1.788 121.941 120.570 -0.695 0.000 2.880 333 I HA 0.410 4.394 4.170 -0.310 0.000 0.296 333 I C 1.419 177.134 176.117 -0.669 0.000 1.220 333 I CA 1.137 61.573 61.300 -1.440 0.000 1.435 333 I CB 0.507 37.912 38.000 -0.992 0.000 1.339 333 I HN 0.241 nan 8.210 nan 0.000 0.583 334 G N 4.541 113.006 108.800 -0.558 0.000 2.829 334 G HA2 0.185 3.959 3.960 -0.310 0.000 0.173 334 G HA3 0.185 3.959 3.960 -0.310 0.000 0.173 334 G C 0.347 175.131 174.900 -0.193 0.000 1.476 334 G CA -0.163 44.783 45.100 -0.256 0.000 1.072 334 G HN 0.737 nan 8.290 nan 0.000 0.577 335 E N -0.662 119.470 120.200 -0.113 0.000 2.481 335 E HA 0.130 4.295 4.350 -0.310 0.000 0.195 335 E C 0.587 177.150 176.600 -0.060 0.000 1.047 335 E CA 0.682 57.034 56.400 -0.081 0.000 0.867 335 E CB 0.306 29.973 29.700 -0.057 0.000 0.858 335 E HN 0.453 nan 8.360 nan 0.000 0.513 336 T N -2.500 112.023 114.554 -0.051 0.000 2.883 336 T HA 0.801 4.966 4.350 -0.310 0.000 0.301 336 T C -0.575 174.138 174.700 0.021 0.000 1.158 336 T CA -0.715 61.376 62.100 -0.014 0.000 1.007 336 T CB 2.275 71.145 68.868 0.002 0.000 1.186 336 T HN -0.002 nan 8.240 nan 0.000 0.499 337 A N 1.033 123.884 122.820 0.051 0.000 2.535 337 A HA 0.877 5.012 4.320 -0.310 0.000 0.296 337 A C -1.757 175.878 177.584 0.086 0.000 1.248 337 A CA -0.929 51.176 52.037 0.113 0.000 0.686 337 A CB 1.194 20.275 19.000 0.135 0.000 1.315 337 A HN 0.812 nan 8.150 nan 0.000 0.460 338 I N 0.499 121.127 120.570 0.096 0.000 2.619 338 I HA 0.513 4.497 4.170 -0.310 0.000 0.292 338 I C -1.093 175.061 176.117 0.061 0.000 1.100 338 I CA -0.503 60.836 61.300 0.064 0.000 1.043 338 I CB 1.584 39.618 38.000 0.056 0.000 1.239 338 I HN 0.329 nan 8.210 nan 0.000 0.420 339 V N 5.249 125.191 119.914 0.046 0.000 2.540 339 V HA 0.332 4.266 4.120 -0.310 0.000 0.302 339 V C 0.054 176.168 176.094 0.033 0.000 1.035 339 V CA -0.732 61.594 62.300 0.043 0.000 0.873 339 V CB 2.058 33.906 31.823 0.043 0.000 0.992 339 V HN 0.735 nan 8.190 nan 0.000 0.428 340 Q N 4.638 124.456 119.800 0.030 0.000 2.361 340 Q HA 0.462 4.616 4.340 -0.310 0.000 0.250 340 Q C -1.095 174.919 176.000 0.023 0.000 1.023 340 Q CA -0.127 55.690 55.803 0.023 0.000 0.915 340 Q CB 0.568 29.317 28.738 0.018 0.000 1.238 340 Q HN 0.691 nan 8.270 nan 0.000 0.451 341 I N 6.410 126.993 120.570 0.022 0.000 2.354 341 I HA 0.288 4.272 4.170 -0.310 0.000 0.286 341 I C 0.278 176.406 176.117 0.018 0.000 1.007 341 I CA -0.650 60.663 61.300 0.022 0.000 1.167 341 I CB 0.771 38.786 38.000 0.025 0.000 1.320 341 I HN 0.856 nan 8.210 nan 0.000 0.458 342 R N 4.417 124.927 120.500 0.016 0.000 4.010 342 R HA -0.260 3.895 4.340 -0.310 0.000 0.264 342 R C -0.068 176.239 176.300 0.012 0.000 0.283 342 R CA 1.440 57.548 56.100 0.013 0.000 0.943 342 R CB -1.129 29.178 30.300 0.012 0.000 0.975 342 R HN 0.745 nan 8.270 nan 0.000 0.569 343 N N 2.481 121.187 118.700 0.011 0.000 2.466 343 N HA 0.142 4.696 4.740 -0.310 0.000 0.272 343 N C -0.684 174.832 175.510 0.009 0.000 1.455 343 N CA -0.128 52.928 53.050 0.009 0.000 0.875 343 N CB 1.370 39.862 38.487 0.007 0.000 1.372 343 N HN 0.385 nan 8.380 nan 0.000 0.492 344 R N -0.022 120.485 120.500 0.012 0.000 2.686 344 R HA 0.459 4.613 4.340 -0.310 0.000 0.286 344 R C -0.848 175.461 176.300 0.015 0.000 0.969 344 R CA -0.783 55.324 56.100 0.012 0.000 0.898 344 R CB 1.481 31.789 30.300 0.013 0.000 1.183 344 R HN -0.186 nan 8.270 nan 0.000 0.456 345 E N 4.099 124.308 120.200 0.015 0.000 2.044 345 E HA 0.168 4.332 4.350 -0.310 0.000 0.282 345 E C -0.315 176.296 176.600 0.019 0.000 1.031 345 E CA -0.373 56.038 56.400 0.018 0.000 0.824 345 E CB 0.913 30.624 29.700 0.017 0.000 1.076 345 E HN 0.435 nan 8.360 nan 0.000 0.395 346 M N 4.834 124.447 119.600 0.021 0.000 2.146 346 M HA 0.299 4.593 4.480 -0.310 0.000 0.357 346 M C -2.233 174.079 176.300 0.020 0.000 1.261 346 M CA -3.155 52.157 55.300 0.019 0.000 1.106 346 M CB 0.393 33.006 32.600 0.021 0.000 1.612 346 M HN -0.040 nan 8.290 nan 0.000 0.470 347 P HA 0.319 nan 4.420 nan 0.000 0.275 347 P C -0.729 176.571 177.300 0.001 0.000 1.228 347 P CA -0.345 62.761 63.100 0.011 0.000 0.786 347 P CB 0.617 32.319 31.700 0.003 0.000 0.927 348 V N -0.670 119.248 119.914 0.006 0.000 3.007 348 V HA 0.578 4.513 4.120 -0.310 0.000 0.311 348 V C -0.387 175.701 176.094 -0.010 0.000 1.120 348 V CA -1.314 60.983 62.300 -0.005 0.000 0.980 348 V CB 2.055 33.888 31.823 0.017 0.000 1.033 348 V HN 0.264 nan 8.190 nan 0.000 0.429 349 K N 1.627 122.013 120.400 -0.023 0.000 2.185 349 K HA 0.692 4.826 4.320 -0.310 0.000 0.271 349 K C -0.889 175.709 176.600 -0.003 0.000 1.013 349 K CA -0.519 55.755 56.287 -0.022 0.000 0.943 349 K CB 1.814 34.293 32.500 -0.035 0.000 0.998 349 K HN 0.594 nan 8.250 nan 0.000 0.468 350 V N 2.485 122.385 119.914 -0.024 0.000 2.435 350 V HA 0.344 4.278 4.120 -0.310 0.000 0.290 350 V C 0.236 176.302 176.094 -0.048 0.000 1.030 350 V CA -0.487 61.794 62.300 -0.031 0.000 0.881 350 V CB 1.300 33.079 31.823 -0.073 0.000 0.983 350 V HN 1.059 nan 8.190 nan 0.000 0.445 351 T N 1.709 116.232 114.554 -0.053 0.000 2.804 351 T HA 0.557 4.721 4.350 -0.310 0.000 0.290 351 T C -0.417 174.194 174.700 -0.149 0.000 1.099 351 T CA -1.068 60.970 62.100 -0.103 0.000 1.011 351 T CB 1.520 70.313 68.868 -0.125 0.000 1.291 351 T HN 0.414 nan 8.240 nan 0.000 0.523 352 K N 1.825 122.111 120.400 -0.190 0.000 2.380 352 K HA 0.219 4.353 4.320 -0.310 0.000 0.267 352 K C -1.967 174.432 176.600 -0.335 0.000 0.990 352 K CA -1.509 54.653 56.287 -0.210 0.000 0.946 352 K CB 0.211 32.591 32.500 -0.201 0.000 0.937 352 K HN 0.453 nan 8.250 nan 0.000 0.491 353 P HA 0.034 nan 4.420 nan 0.000 0.220 353 P C -0.957 176.141 177.300 -0.336 0.000 1.778 353 P CA 0.235 63.188 63.100 -0.244 0.000 0.912 353 P CB 0.084 31.754 31.700 -0.051 0.000 1.861 354 V N 0.470 119.998 119.914 -0.644 0.000 2.891 354 V HA 0.397 4.331 4.120 -0.310 0.000 0.304 354 V C -0.505 175.146 176.094 -0.739 0.000 1.171 354 V CA -0.586 61.424 62.300 -0.483 0.000 0.943 354 V CB 1.748 33.424 31.823 -0.245 0.000 1.037 354 V HN -0.074 nan 8.190 nan 0.000 0.427 355 F N 4.470 124.395 119.950 -0.041 0.000 2.711 355 F HA 0.526 4.861 4.527 -0.320 0.000 0.296 355 F C 0.385 176.168 175.800 -0.028 0.000 1.096 355 F CA -0.042 57.940 58.000 -0.030 0.000 1.280 355 F CB 0.896 39.880 39.000 -0.026 0.000 1.060 355 F HN 0.281 nan 8.300 nan 0.000 0.608 356 V N 1.934 121.917 119.914 0.115 0.000 2.733 356 V HA 0.517 4.451 4.120 -0.310 0.000 0.306 356 V C -0.778 175.318 176.094 0.003 0.000 1.084 356 V CA -0.964 61.371 62.300 0.058 0.000 0.905 356 V CB 2.292 34.159 31.823 0.074 0.000 1.010 356 V HN 0.004 nan 8.190 nan 0.000 0.424 357 R N 2.966 123.456 120.500 -0.017 0.000 2.575 357 R HA 0.486 4.640 4.340 -0.310 0.000 0.293 357 R C -0.226 176.057 176.300 -0.027 0.000 0.983 357 R CA -0.834 55.246 56.100 -0.035 0.000 0.887 357 R CB 1.573 31.841 30.300 -0.054 0.000 1.184 357 R HN 0.923 nan 8.270 nan 0.000 0.445 358 N N 1.062 119.744 118.700 -0.030 0.000 2.727 358 N HA -0.235 4.319 4.740 -0.310 0.000 0.251 358 N C 0.708 176.202 175.510 -0.026 0.000 1.040 358 N CA 0.496 53.529 53.050 -0.029 0.000 0.712 358 N CB -0.712 37.758 38.487 -0.028 0.000 0.912 358 N HN 1.136 nan 8.380 nan 0.000 0.545 359 G N -1.047 107.738 108.800 -0.026 0.000 2.205 359 G HA2 -0.408 3.366 3.960 -0.310 0.000 0.269 359 G HA3 -0.408 3.366 3.960 -0.310 0.000 0.269 359 G C 0.102 174.997 174.900 -0.007 0.000 0.977 359 G CA 1.329 46.416 45.100 -0.023 0.000 0.652 359 G HN 0.498 nan 8.290 nan 0.000 0.539 360 K N 0.288 120.685 120.400 -0.005 0.000 2.221 360 K HA 0.722 4.856 4.320 -0.310 0.000 0.258 360 K C 0.514 177.121 176.600 0.011 0.000 0.944 360 K CA -0.055 56.233 56.287 0.001 0.000 0.823 360 K CB 1.752 34.248 32.500 -0.006 0.000 1.113 360 K HN 0.549 nan 8.250 nan 0.000 0.431 361 A N 1.925 124.758 122.820 0.022 0.000 2.561 361 A HA 0.048 4.182 4.320 -0.310 0.000 0.251 361 A C 0.387 177.981 177.584 0.018 0.000 1.062 361 A CA -0.221 51.839 52.037 0.038 0.000 0.761 361 A CB -0.557 18.472 19.000 0.049 0.000 0.986 361 A HN 0.657 nan 8.150 nan 0.000 0.510 362 V N 2.038 121.956 119.914 0.006 0.000 2.302 362 V HA 0.550 4.484 4.120 -0.310 0.000 0.244 362 V C 0.595 176.673 176.094 -0.026 0.000 1.160 362 V CA -0.013 62.268 62.300 -0.031 0.000 1.127 362 V CB -1.134 30.645 31.823 -0.074 0.000 1.253 362 V HN 1.216 nan 8.190 nan 0.000 0.496 363 A N 0.000 122.813 122.820 -0.011 0.000 2.254 363 A HA 0.000 4.134 4.320 -0.310 0.000 0.244 363 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 363 A CB 0.000 19.010 19.000 0.017 0.000 0.831 363 A HN 0.000 nan 8.150 nan 0.000 0.486