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 1z2b_1_A DATA FIRST_RESID 2 DATA SEQUENCE RECISIHVGQ AGVQIGNACW ELYCLEHGIQ PDGQMPXXXX XXXXXDSFNT DATA SEQUENCE FFSETGAGKH VPRAVFVDLE PTVIDEVRTG TYRQLFHPEQ LITGKEDAAN DATA SEQUENCE NYARGHYTIG KEIIDLVLDR IRKLADQCTG LQGFLVFHSF GGGTGSGFTS DATA SEQUENCE LLMERLSVDY GKKSKLEFSI YPAPQVSTAV VEPYNSILTT HTTLEHSDCA DATA SEQUENCE FMVDNEAIYD ICRRNLDIER PTYTNLNRLI GQIVSSITAS LRFDGALNVD DATA SEQUENCE LTEFQTNLVP YPRIHFPLAT YAPVISAEKA YHEQLSVAEI TNACFEPANQ DATA SEQUENCE MVKCDPRHGK YMACCLLYRG DVVPKDVNAA IATIKTKRSI QFVDWCPTGF DATA SEQUENCE KVGINYQPPT VVPGGDLAKV QRAVCMLSNT TAIAEAWARL DHKFDLMYAK DATA SEQUENCE RAFVHWYVGE GMEEGEFSEA REDMAALEKD YEEVGI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.271 176.300 -0.048 0.000 0.893 2 R CA 0.000 56.083 56.100 -0.028 0.000 0.921 2 R CB 0.000 30.279 30.300 -0.036 0.000 0.687 3 E N -0.307 119.837 120.200 -0.094 0.000 2.263 3 E HA 0.457 4.807 4.350 -0.000 0.000 0.264 3 E C -1.229 175.238 176.600 -0.221 0.000 0.923 3 E CA -0.403 55.914 56.400 -0.139 0.000 0.802 3 E CB 2.760 32.378 29.700 -0.137 0.000 1.228 3 E HN 0.169 nan 8.360 nan 0.000 0.417 4 C N 2.956 122.074 119.300 -0.303 0.000 3.233 4 C HA 0.409 4.869 4.460 -0.000 0.000 0.299 4 C C -0.660 174.067 174.990 -0.438 0.000 1.060 4 C CA -0.467 58.294 59.018 -0.427 0.000 1.382 4 C CB -0.950 26.458 27.740 -0.552 0.000 1.828 4 C HN 0.687 nan 8.230 nan 0.000 0.530 5 I N 2.770 123.180 120.570 -0.267 0.000 2.634 5 I HA 0.159 4.329 4.170 -0.000 0.000 0.284 5 I C 0.783 177.030 176.117 0.216 0.000 1.124 5 I CA 1.132 62.426 61.300 -0.011 0.000 1.417 5 I CB 1.065 39.111 38.000 0.076 0.000 1.396 5 I HN 0.470 nan 8.210 nan 0.000 0.571 6 S N 6.603 122.545 115.700 0.403 0.000 2.437 6 S HA 0.594 5.064 4.470 -0.000 0.000 0.305 6 S C -0.345 174.669 174.600 0.690 0.000 1.109 6 S CA -0.483 58.130 58.200 0.689 0.000 1.099 6 S CB 0.581 64.452 63.200 1.119 0.000 1.004 6 S HN 0.299 nan 8.310 nan 0.000 0.475 7 I N 4.082 125.025 120.570 0.622 0.000 2.389 7 I HA 0.315 4.485 4.170 -0.000 0.000 0.288 7 I C -1.100 175.348 176.117 0.550 0.000 0.999 7 I CA -0.642 60.974 61.300 0.528 0.000 1.129 7 I CB 1.157 39.323 38.000 0.278 0.000 1.288 7 I HN 0.595 nan 8.210 nan 0.000 0.444 8 H N 5.303 124.491 119.070 0.197 0.000 2.718 8 H HA 0.376 4.932 4.556 -0.000 0.000 0.295 8 H C -0.445 174.893 175.328 0.017 0.000 1.051 8 H CA -0.626 55.432 56.048 0.017 0.000 1.260 8 H CB 1.477 30.915 29.762 -0.541 0.000 1.403 8 H HN 0.272 nan 8.280 nan 0.000 0.488 9 V N 2.398 122.451 119.914 0.231 0.000 2.481 9 V HA 0.838 4.958 4.120 -0.000 0.000 0.286 9 V C 0.450 176.644 176.094 0.166 0.000 1.042 9 V CA 0.487 62.921 62.300 0.224 0.000 0.928 9 V CB 0.676 32.707 31.823 0.348 0.000 0.986 9 V HN 1.064 nan 8.190 nan 0.000 0.462 10 G N 4.199 113.057 108.800 0.097 0.000 2.862 10 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.686 10 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.686 10 G C 0.147 175.067 174.900 0.035 0.000 1.134 10 G CA 0.635 45.779 45.100 0.074 0.000 0.791 10 G HN 1.766 nan 8.290 nan 0.000 0.592 11 Q N 1.621 121.430 119.800 0.015 0.000 2.105 11 Q HA -0.298 4.042 4.340 -0.000 0.000 0.217 11 Q C 2.844 178.817 176.000 -0.044 0.000 1.029 11 Q CA 4.119 59.918 55.803 -0.006 0.000 0.899 11 Q CB -0.425 28.318 28.738 0.009 0.000 1.000 11 Q HN 1.980 nan 8.270 nan 0.000 0.414 12 A N 0.260 123.040 122.820 -0.067 0.000 1.851 12 A HA -0.133 4.186 4.320 -0.000 0.000 0.216 12 A C 2.414 179.948 177.584 -0.083 0.000 1.195 12 A CA 2.070 54.025 52.037 -0.137 0.000 0.622 12 A CB -1.805 17.114 19.000 -0.134 0.000 0.831 12 A HN 0.711 nan 8.150 nan 0.000 0.444 13 G N -0.519 108.274 108.800 -0.011 0.000 2.529 13 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 13 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 13 G C 1.550 176.427 174.900 -0.038 0.000 1.177 13 G CA 1.699 46.820 45.100 0.035 0.000 0.773 13 G HN 0.378 nan 8.290 nan 0.000 0.573 14 V N 0.279 120.137 119.914 -0.094 0.000 2.237 14 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 14 V C 2.820 178.823 176.094 -0.151 0.000 1.046 14 V CA 2.470 64.622 62.300 -0.246 0.000 1.007 14 V CB -0.831 30.894 31.823 -0.162 0.000 0.638 14 V HN 0.421 nan 8.190 nan 0.000 0.445 15 Q N -0.900 118.852 119.800 -0.079 0.000 2.112 15 Q HA -0.240 4.100 4.340 -0.000 0.000 0.206 15 Q C 2.190 178.156 176.000 -0.056 0.000 0.987 15 Q CA 2.154 57.931 55.803 -0.043 0.000 0.858 15 Q CB -0.306 28.407 28.738 -0.042 0.000 0.905 15 Q HN 0.620 nan 8.270 nan 0.000 0.420 16 I N -0.337 120.175 120.570 -0.096 0.000 2.163 16 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 16 I C 2.101 178.113 176.117 -0.176 0.000 1.085 16 I CA 1.573 62.799 61.300 -0.124 0.000 1.347 16 I CB -0.440 37.492 38.000 -0.114 0.000 1.044 16 I HN 0.305 nan 8.210 nan 0.000 0.408 17 G N -0.151 108.563 108.800 -0.144 0.000 2.440 17 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.218 17 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.218 17 G C 1.543 176.482 174.900 0.066 0.000 1.154 17 G CA 0.949 46.038 45.100 -0.018 0.000 0.767 17 G HN 0.322 nan 8.290 nan 0.000 0.552 18 N N 1.225 119.967 118.700 0.070 0.000 2.104 18 N HA -0.050 4.690 4.740 -0.000 0.000 0.190 18 N C 2.089 177.687 175.510 0.146 0.000 1.024 18 N CA 1.323 54.496 53.050 0.204 0.000 0.853 18 N CB -0.289 38.299 38.487 0.168 0.000 1.008 18 N HN 0.262 nan 8.380 nan 0.000 0.424 19 A N -0.731 122.112 122.820 0.039 0.000 2.345 19 A HA 0.116 4.436 4.320 -0.000 0.000 0.225 19 A C 2.000 179.521 177.584 -0.106 0.000 1.243 19 A CA 0.447 52.491 52.037 0.012 0.000 0.875 19 A CB -0.511 18.501 19.000 0.020 0.000 0.929 19 A HN 0.597 nan 8.150 nan 0.000 0.502 20 C N -4.925 114.236 119.300 -0.232 0.000 3.228 20 C HA 0.333 4.793 4.460 -0.000 0.000 0.290 20 C C 1.683 176.154 174.990 -0.866 0.000 1.301 20 C CA -0.442 58.271 59.018 -0.509 0.000 1.703 20 C CB -1.814 25.575 27.740 -0.585 0.000 2.141 20 C HN 0.653 nan 8.230 nan 0.000 0.656 21 W N 2.529 123.559 121.300 -0.450 0.000 2.453 21 W HA 0.067 4.727 4.660 -0.000 0.000 0.289 21 W C 2.651 179.041 176.519 -0.215 0.000 1.215 21 W CA 1.580 58.736 57.345 -0.316 0.000 1.297 21 W CB -0.056 29.362 29.460 -0.070 0.000 1.113 21 W HN 0.530 nan 8.180 nan 0.000 0.551 22 E N 0.506 120.676 120.200 -0.050 0.000 2.085 22 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 22 E C 1.977 178.591 176.600 0.025 0.000 0.994 22 E CA 1.600 57.938 56.400 -0.103 0.000 0.801 22 E CB -0.628 29.138 29.700 0.111 0.000 0.743 22 E HN 0.280 nan 8.360 nan 0.000 0.453 23 L N -0.066 121.132 121.223 -0.041 0.000 2.156 23 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 23 L C 2.128 179.066 176.870 0.113 0.000 1.095 23 L CA 1.238 56.079 54.840 0.001 0.000 0.770 23 L CB -0.290 41.726 42.059 -0.073 0.000 0.914 23 L HN 0.263 nan 8.230 nan 0.000 0.439 24 Y N -2.307 118.000 120.300 0.012 0.000 2.181 24 Y HA -0.340 4.210 4.550 -0.000 0.000 0.288 24 Y C 2.703 178.742 175.900 0.232 0.000 1.146 24 Y CA 0.778 58.932 58.100 0.090 0.000 1.164 24 Y CB -0.512 38.000 38.460 0.087 0.000 0.982 24 Y HN 0.268 nan 8.280 nan 0.000 0.515 25 C N -0.447 119.104 119.300 0.417 0.000 2.425 25 C HA -0.163 4.297 4.460 -0.000 0.000 0.277 25 C C 2.581 177.677 174.990 0.177 0.000 1.280 25 C CA 0.491 59.681 59.018 0.286 0.000 1.744 25 C CB -1.145 26.714 27.740 0.199 0.000 1.989 25 C HN 0.456 nan 8.230 nan 0.000 0.491 26 L N 0.587 121.901 121.223 0.151 0.000 2.156 26 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 26 L C 2.357 179.264 176.870 0.061 0.000 1.095 26 L CA 1.647 56.553 54.840 0.109 0.000 0.770 26 L CB -0.944 41.178 42.059 0.105 0.000 0.914 26 L HN 0.376 nan 8.230 nan 0.000 0.439 27 E N -1.708 118.514 120.200 0.037 0.000 2.107 27 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 27 E C 1.609 178.101 176.600 -0.180 0.000 0.982 27 E CA 0.698 57.063 56.400 -0.059 0.000 0.809 27 E CB 0.145 29.786 29.700 -0.098 0.000 0.756 27 E HN 0.512 nan 8.360 nan 0.000 0.459 28 H N -1.422 117.631 119.070 -0.028 0.000 2.575 28 H HA 0.215 4.771 4.556 -0.000 0.000 0.267 28 H C 0.623 175.814 175.328 -0.227 0.000 0.966 28 H CA 0.824 56.726 56.048 -0.242 0.000 1.165 28 H CB 1.075 30.681 29.762 -0.261 0.000 1.433 28 H HN 0.241 nan 8.280 nan 0.000 0.544 29 G N 1.780 110.587 108.800 0.013 0.000 2.368 29 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.290 29 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.290 29 G C -0.303 174.625 174.900 0.046 0.000 1.098 29 G CA -0.065 45.045 45.100 0.017 0.000 1.073 29 G HN 0.297 nan 8.290 nan 0.000 0.511 30 I N 0.881 121.500 120.570 0.082 0.000 2.405 30 I HA 0.250 4.420 4.170 -0.000 0.000 0.280 30 I C 0.674 176.872 176.117 0.134 0.000 1.027 30 I CA -0.641 60.721 61.300 0.104 0.000 1.161 30 I CB 1.285 39.330 38.000 0.074 0.000 1.300 30 I HN 0.314 nan 8.210 nan 0.000 0.463 31 Q N 7.603 127.469 119.800 0.110 0.000 2.263 31 Q HA 0.046 4.386 4.340 -0.000 0.000 0.289 31 Q C -1.495 174.601 176.000 0.161 0.000 1.061 31 Q CA -1.238 54.640 55.803 0.125 0.000 0.927 31 Q CB 0.037 28.820 28.738 0.075 0.000 1.154 31 Q HN 0.349 nan 8.270 nan 0.000 0.378 32 P HA -0.388 nan 4.420 nan 0.000 0.227 32 P C 0.850 178.270 177.300 0.199 0.000 1.141 32 P CA 2.150 65.448 63.100 0.329 0.000 0.964 32 P CB -0.082 31.742 31.700 0.207 0.000 0.784 33 D N -1.782 118.684 120.400 0.109 0.000 2.191 33 D HA -0.184 4.456 4.640 -0.000 0.000 0.190 33 D C 1.742 178.074 176.300 0.053 0.000 1.007 33 D CA 2.669 56.706 54.000 0.062 0.000 0.865 33 D CB -1.172 39.643 40.800 0.026 0.000 0.929 33 D HN 0.437 nan 8.370 nan 0.000 0.447 34 G N -1.599 107.231 108.800 0.051 0.000 3.768 34 G HA2 0.087 4.047 3.960 -0.000 0.000 0.214 34 G HA3 0.087 4.047 3.960 -0.000 0.000 0.214 34 G C 0.545 175.423 174.900 -0.036 0.000 1.058 34 G CA 0.523 45.641 45.100 0.030 0.000 0.890 34 G HN 0.799 nan 8.290 nan 0.000 0.393 35 Q N 0.897 120.647 119.800 -0.085 0.000 2.327 35 Q HA 0.747 5.087 4.340 -0.000 0.000 0.254 35 Q C 0.201 176.151 176.000 -0.082 0.000 0.952 35 Q CA 0.466 56.163 55.803 -0.177 0.000 0.884 35 Q CB 0.160 28.825 28.738 -0.122 0.000 1.224 35 Q HN 1.400 nan 8.270 nan 0.000 0.422 36 M N 1.429 120.976 119.600 -0.089 0.000 2.205 36 M HA 0.760 5.240 4.480 -0.000 0.000 0.344 36 M C -2.317 174.000 176.300 0.028 0.000 1.085 36 M CA -1.646 53.688 55.300 0.056 0.000 1.001 36 M CB 1.081 33.824 32.600 0.238 0.000 1.626 36 M HN 0.421 nan 8.290 nan 0.000 0.442 48 S N -1.628 114.108 115.700 0.060 0.000 2.260 48 S HA -0.256 4.214 4.470 -0.000 0.000 0.243 48 S C 0.986 175.655 174.600 0.114 0.000 1.065 48 S CA 3.115 61.385 58.200 0.116 0.000 2.199 48 S CB -1.973 61.332 63.200 0.174 0.000 1.307 48 S HN 1.765 nan 8.310 nan 0.000 0.497 49 F N 0.752 120.564 119.950 -0.231 0.000 2.724 49 F HA 0.578 5.105 4.527 -0.000 0.000 0.310 49 F C 0.927 176.609 175.800 -0.197 0.000 1.107 49 F CA 0.032 57.803 58.000 -0.382 0.000 1.218 49 F CB -0.379 38.095 39.000 -0.877 0.000 1.042 49 F HN 0.173 nan 8.300 nan 0.000 0.540 50 N N 1.459 119.925 118.700 -0.390 0.000 2.272 50 N HA -0.173 4.567 4.740 -0.000 0.000 0.185 50 N C 2.173 177.634 175.510 -0.080 0.000 1.014 50 N CA 1.751 54.624 53.050 -0.296 0.000 0.870 50 N CB -0.141 38.227 38.487 -0.199 0.000 0.975 50 N HN 0.653 nan 8.380 nan 0.000 0.433 51 T N -0.549 114.018 114.554 0.020 0.000 2.653 51 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 51 T C 1.410 176.194 174.700 0.140 0.000 1.037 51 T CA 1.676 63.855 62.100 0.131 0.000 1.159 51 T CB -0.496 68.542 68.868 0.283 0.000 0.859 51 T HN 0.151 nan 8.240 nan 0.000 0.449 52 F N -1.673 118.249 119.950 -0.046 0.000 2.752 52 F HA 0.444 4.971 4.527 -0.000 0.000 0.310 52 F C -0.231 175.482 175.800 -0.145 0.000 1.097 52 F CA -1.153 56.806 58.000 -0.068 0.000 1.238 52 F CB 0.842 39.715 39.000 -0.212 0.000 1.061 52 F HN 0.091 nan 8.300 nan 0.000 0.591 53 F N -0.212 119.764 119.950 0.044 0.000 2.508 53 F HA 0.408 4.935 4.527 -0.000 0.000 0.325 53 F C 0.430 176.131 175.800 -0.164 0.000 1.090 53 F CA -1.324 56.631 58.000 -0.074 0.000 0.945 53 F CB 1.601 40.464 39.000 -0.228 0.000 1.156 53 F HN -0.293 nan 8.300 nan 0.000 0.463 54 S N 0.399 116.128 115.700 0.049 0.000 2.474 54 S HA 0.481 4.951 4.470 -0.000 0.000 0.320 54 S C -0.167 174.463 174.600 0.050 0.000 1.067 54 S CA -0.573 57.630 58.200 0.005 0.000 1.127 54 S CB 0.672 63.864 63.200 -0.012 0.000 0.971 54 S HN 0.791 nan 8.310 nan 0.000 0.472 55 E N 2.646 122.863 120.200 0.029 0.000 2.030 55 E HA 0.376 4.726 4.350 -0.000 0.000 0.267 55 E C 0.632 177.287 176.600 0.092 0.000 1.172 55 E CA 0.478 56.954 56.400 0.126 0.000 1.080 55 E CB -1.649 28.103 29.700 0.086 0.000 1.080 55 E HN 1.117 nan 8.360 nan 0.000 0.446 56 T N 0.716 115.331 114.554 0.103 0.000 2.907 56 T HA 0.598 4.948 4.350 -0.000 0.000 0.298 56 T C 1.320 176.052 174.700 0.053 0.000 1.017 56 T CA 0.565 62.715 62.100 0.085 0.000 1.118 56 T CB 0.389 69.340 68.868 0.139 0.000 0.948 56 T HN 1.794 nan 8.240 nan 0.000 0.531 57 G N 0.655 109.482 108.800 0.046 0.000 2.668 57 G HA2 0.282 4.242 3.960 -0.000 0.000 0.266 57 G HA3 0.282 4.242 3.960 -0.000 0.000 0.266 57 G C 0.573 175.476 174.900 0.005 0.000 1.328 57 G CA 0.135 45.248 45.100 0.022 0.000 0.911 57 G HN 2.069 nan 8.290 nan 0.000 0.567 58 A N -0.284 122.531 122.820 -0.008 0.000 3.213 58 A HA 0.748 5.068 4.320 -0.000 0.000 0.308 58 A C 1.251 178.812 177.584 -0.039 0.000 1.177 58 A CA 0.937 52.963 52.037 -0.017 0.000 1.010 58 A CB -0.482 18.512 19.000 -0.009 0.000 1.092 58 A HN 2.395 nan 8.150 nan 0.000 0.583 59 G N -0.581 108.180 108.800 -0.065 0.000 3.611 59 G HA2 0.149 4.109 3.960 -0.000 0.000 0.207 59 G HA3 0.149 4.109 3.960 -0.000 0.000 0.207 59 G C 0.462 175.255 174.900 -0.178 0.000 1.548 59 G CA -0.190 44.850 45.100 -0.099 0.000 0.855 59 G HN 0.364 nan 8.290 nan 0.000 0.804 60 K N -0.408 119.915 120.400 -0.129 0.000 2.117 60 K HA 0.588 4.908 4.320 -0.000 0.000 0.240 60 K C 0.402 176.953 176.600 -0.082 0.000 1.031 60 K CA -0.458 55.761 56.287 -0.114 0.000 0.909 60 K CB 0.716 33.190 32.500 -0.044 0.000 1.097 60 K HN 0.146 nan 8.250 nan 0.000 0.492 61 H N -0.661 118.412 119.070 0.005 0.000 3.360 61 H HA 0.053 4.609 4.556 -0.000 0.000 0.262 61 H C -0.673 174.731 175.328 0.127 0.000 1.149 61 H CA -0.088 55.974 56.048 0.023 0.000 1.181 61 H CB 0.136 29.863 29.762 -0.058 0.000 1.564 61 H HN 0.336 nan 8.280 nan 0.000 0.565 62 V N 2.258 122.270 119.914 0.163 0.000 3.489 62 V HA -0.178 3.942 4.120 -0.000 0.000 0.291 62 V C -2.660 173.391 176.094 -0.072 0.000 1.655 62 V CA -0.858 61.446 62.300 0.007 0.000 1.642 62 V CB -0.071 31.774 31.823 0.036 0.000 1.010 62 V HN 0.046 nan 8.190 nan 0.000 0.387 63 P HA 0.146 nan 4.420 nan 0.000 0.271 63 P C -0.148 176.844 177.300 -0.513 0.000 1.233 63 P CA 0.098 62.637 63.100 -0.936 0.000 0.795 63 P CB 0.263 30.768 31.700 -1.991 0.000 0.936 64 R N 0.772 121.076 120.500 -0.326 0.000 3.436 64 R HA 0.582 4.922 4.340 -0.000 0.000 0.247 64 R C -0.383 175.912 176.300 -0.008 0.000 1.434 64 R CA -0.244 55.783 56.100 -0.121 0.000 1.543 64 R CB 0.121 30.374 30.300 -0.079 0.000 1.289 64 R HN 0.443 nan 8.270 nan 0.000 0.664 65 A N 0.919 123.670 122.820 -0.115 0.000 2.413 65 A HA 0.721 5.041 4.320 -0.000 0.000 0.307 65 A C -0.572 177.103 177.584 0.150 0.000 1.087 65 A CA -0.727 51.357 52.037 0.078 0.000 0.750 65 A CB 2.004 20.860 19.000 -0.240 0.000 1.296 65 A HN 0.269 nan 8.150 nan 0.000 0.423 66 V N -0.807 119.333 119.914 0.378 0.000 2.808 66 V HA 0.888 5.008 4.120 -0.000 0.000 0.308 66 V C -2.020 174.472 176.094 0.665 0.000 1.099 66 V CA -0.799 61.716 62.300 0.358 0.000 0.920 66 V CB 1.596 33.568 31.823 0.247 0.000 1.014 66 V HN 0.692 nan 8.190 nan 0.000 0.425 67 F N 4.782 124.771 119.950 0.065 0.000 2.477 67 F HA 0.819 5.346 4.527 -0.000 0.000 0.335 67 F C 0.089 175.909 175.800 0.033 0.000 1.130 67 F CA -1.155 56.870 58.000 0.042 0.000 0.948 67 F CB 2.085 41.034 39.000 -0.086 0.000 1.154 67 F HN 0.673 nan 8.300 nan 0.000 0.439 68 V N 0.351 120.385 119.914 0.200 0.000 2.604 68 V HA 0.857 4.977 4.120 -0.000 0.000 0.305 68 V C -1.122 174.964 176.094 -0.013 0.000 1.043 68 V CA -0.552 61.782 62.300 0.057 0.000 0.888 68 V CB 2.074 33.902 31.823 0.009 0.000 0.995 68 V HN 0.618 nan 8.190 nan 0.000 0.429 69 D N 1.866 122.219 120.400 -0.077 0.000 2.609 69 D HA 0.555 5.195 4.640 -0.000 0.000 0.239 69 D C -0.163 176.056 176.300 -0.135 0.000 1.229 69 D CA -0.574 53.374 54.000 -0.087 0.000 0.808 69 D CB 2.439 43.222 40.800 -0.028 0.000 1.448 69 D HN 0.357 nan 8.370 nan 0.000 0.433 70 L N 0.887 122.034 121.223 -0.126 0.000 2.554 70 L HA 0.252 4.592 4.340 -0.000 0.000 0.225 70 L C 0.856 177.682 176.870 -0.073 0.000 1.104 70 L CA 0.323 55.088 54.840 -0.126 0.000 0.866 70 L CB -0.138 41.840 42.059 -0.136 0.000 1.047 70 L HN 0.488 nan 8.230 nan 0.000 0.468 71 E N -1.022 119.148 120.200 -0.051 0.000 2.212 71 E HA 0.331 4.681 4.350 -0.000 0.000 0.270 71 E C -2.469 174.113 176.600 -0.030 0.000 0.956 71 E CA -1.929 54.451 56.400 -0.034 0.000 0.825 71 E CB 1.840 31.527 29.700 -0.021 0.000 1.167 71 E HN -0.179 nan 8.360 nan 0.000 0.400 72 P HA -0.069 nan 4.420 nan 0.000 0.201 72 P C 0.365 177.657 177.300 -0.012 0.000 1.038 72 P CA 1.634 64.722 63.100 -0.020 0.000 0.756 72 P CB -0.023 31.665 31.700 -0.019 0.000 0.626 73 T N -2.191 112.357 114.554 -0.009 0.000 12.596 73 T HA -0.272 4.078 4.350 -0.000 0.000 0.419 73 T C 1.425 176.126 174.700 0.002 0.000 1.441 73 T CA 2.405 64.503 62.100 -0.002 0.000 2.379 73 T CB -2.428 66.441 68.868 0.002 0.000 2.842 73 T HN -0.007 nan 8.240 nan 0.000 0.775 74 V N 1.840 121.757 119.914 0.006 0.000 2.426 74 V HA 0.073 4.193 4.120 -0.000 0.000 0.242 74 V C 2.523 178.624 176.094 0.013 0.000 1.036 74 V CA 1.542 63.851 62.300 0.015 0.000 1.044 74 V CB -0.572 31.262 31.823 0.018 0.000 0.688 74 V HN 0.517 nan 8.190 nan 0.000 0.462 75 I N 1.004 121.580 120.570 0.011 0.000 2.530 75 I HA -0.210 3.960 4.170 -0.000 0.000 0.257 75 I C 2.073 178.171 176.117 -0.032 0.000 1.179 75 I CA 1.603 62.908 61.300 0.008 0.000 1.440 75 I CB -1.088 36.919 38.000 0.012 0.000 1.087 75 I HN 0.355 nan 8.210 nan 0.000 0.440 76 D N 1.469 121.856 120.400 -0.023 0.000 2.117 76 D HA -0.139 4.501 4.640 -0.000 0.000 0.198 76 D C 2.379 178.661 176.300 -0.029 0.000 0.982 76 D CA 1.654 55.637 54.000 -0.029 0.000 0.828 76 D CB -0.181 40.607 40.800 -0.018 0.000 0.967 76 D HN 0.472 nan 8.370 nan 0.000 0.464 77 E N 0.610 120.801 120.200 -0.015 0.000 2.273 77 E HA -0.154 4.196 4.350 -0.000 0.000 0.198 77 E C 2.194 178.783 176.600 -0.018 0.000 1.002 77 E CA 1.267 57.663 56.400 -0.008 0.000 0.828 77 E CB -0.928 28.779 29.700 0.011 0.000 0.747 77 E HN 0.231 nan 8.360 nan 0.000 0.491 78 V N 1.109 120.994 119.914 -0.050 0.000 2.346 78 V HA -0.151 3.969 4.120 -0.000 0.000 0.244 78 V C 2.266 178.292 176.094 -0.115 0.000 1.037 78 V CA 1.618 63.854 62.300 -0.107 0.000 1.029 78 V CB -0.523 31.135 31.823 -0.275 0.000 0.663 78 V HN 0.618 nan 8.190 nan 0.000 0.454 79 R N -0.129 120.303 120.500 -0.114 0.000 2.346 79 R HA 0.137 4.477 4.340 -0.000 0.000 0.225 79 R C 1.370 177.643 176.300 -0.045 0.000 0.987 79 R CA 0.715 56.765 56.100 -0.083 0.000 1.106 79 R CB -0.300 29.949 30.300 -0.084 0.000 1.090 79 R HN 0.398 nan 8.270 nan 0.000 0.502 80 T N -0.385 114.147 114.554 -0.036 0.000 3.174 80 T HA 0.150 4.500 4.350 -0.000 0.000 0.252 80 T C 0.842 175.528 174.700 -0.024 0.000 0.984 80 T CA 0.402 62.487 62.100 -0.026 0.000 1.113 80 T CB 0.377 69.233 68.868 -0.022 0.000 1.088 80 T HN 0.428 nan 8.240 nan 0.000 0.442 81 G N 2.526 111.312 108.800 -0.023 0.000 2.444 81 G HA2 0.446 4.406 3.960 -0.000 0.000 0.268 81 G HA3 0.446 4.406 3.960 -0.000 0.000 0.268 81 G C 0.167 175.036 174.900 -0.052 0.000 1.203 81 G CA -0.233 44.844 45.100 -0.038 0.000 0.835 81 G HN 0.443 nan 8.290 nan 0.000 0.543 82 T N -1.046 113.434 114.554 -0.123 0.000 2.854 82 T HA 0.000 4.350 4.350 -0.000 0.000 0.336 82 T C 0.588 175.156 174.700 -0.221 0.000 1.095 82 T CA 0.937 62.935 62.100 -0.171 0.000 1.118 82 T CB 0.055 68.776 68.868 -0.245 0.000 1.025 82 T HN 1.033 nan 8.240 nan 0.000 0.549 83 Y N -2.185 118.171 120.300 0.094 0.000 4.866 83 Y HA -0.279 4.271 4.550 -0.000 0.000 0.282 83 Y C 2.073 178.060 175.900 0.146 0.000 0.899 83 Y CA 0.382 58.579 58.100 0.162 0.000 1.720 83 Y CB -1.413 37.183 38.460 0.227 0.000 1.107 83 Y HN 0.670 nan 8.280 nan 0.000 0.460 84 R N 1.636 122.235 120.500 0.164 0.000 2.159 84 R HA -0.166 4.174 4.340 -0.000 0.000 0.237 84 R C 1.293 177.645 176.300 0.087 0.000 1.131 84 R CA 1.976 58.122 56.100 0.076 0.000 0.982 84 R CB -0.021 30.290 30.300 0.019 0.000 0.868 84 R HN 0.540 nan 8.270 nan 0.000 0.453 85 Q N -0.070 119.795 119.800 0.108 0.000 2.319 85 Q HA -0.024 4.316 4.340 -0.000 0.000 0.202 85 Q C 1.569 177.626 176.000 0.095 0.000 0.896 85 Q CA 0.015 55.862 55.803 0.073 0.000 0.942 85 Q CB 0.425 29.192 28.738 0.048 0.000 1.083 85 Q HN 0.212 nan 8.270 nan 0.000 0.510 86 L N -0.097 121.246 121.223 0.199 0.000 2.068 86 L HA 0.113 4.453 4.340 -0.000 0.000 0.204 86 L C 0.524 177.355 176.870 -0.065 0.000 1.076 86 L CA 1.426 56.331 54.840 0.107 0.000 0.753 86 L CB -0.258 41.889 42.059 0.146 0.000 0.910 86 L HN -0.051 nan 8.230 nan 0.000 0.439 87 F N -1.288 118.577 119.950 -0.141 0.000 2.380 87 F HA 0.263 4.790 4.527 0.000 0.000 0.321 87 F C 0.555 176.272 175.800 -0.138 0.000 1.103 87 F CA -0.712 57.170 58.000 -0.197 0.000 1.067 87 F CB 0.286 39.097 39.000 -0.315 0.000 1.265 87 F HN -0.103 nan 8.300 nan 0.000 0.517 88 H N 2.807 121.901 119.070 0.040 0.000 2.683 88 H HA 0.102 4.658 4.556 -0.000 0.000 0.339 88 H C -1.448 173.886 175.328 0.010 0.000 1.081 88 H CA -1.021 55.035 56.048 0.013 0.000 1.432 88 H CB 0.970 30.724 29.762 -0.012 0.000 1.462 88 H HN 0.203 nan 8.280 nan 0.000 0.557 89 P HA -0.262 nan 4.420 nan 0.000 0.217 89 P C 0.959 178.288 177.300 0.049 0.000 1.151 89 P CA 1.549 64.677 63.100 0.047 0.000 0.849 89 P CB 0.388 32.113 31.700 0.042 0.000 0.787 90 E N 1.004 121.258 120.200 0.090 0.000 2.371 90 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 90 E C 1.652 178.270 176.600 0.031 0.000 1.012 90 E CA 0.484 56.911 56.400 0.044 0.000 0.860 90 E CB -0.766 28.953 29.700 0.031 0.000 0.811 90 E HN 0.464 nan 8.360 nan 0.000 0.502 91 Q N 1.024 120.849 119.800 0.043 0.000 2.515 91 Q HA 0.114 4.454 4.340 -0.000 0.000 0.212 91 Q C 0.588 176.576 176.000 -0.020 0.000 0.970 91 Q CA 0.376 56.194 55.803 0.025 0.000 0.941 91 Q CB -0.257 28.498 28.738 0.028 0.000 0.998 91 Q HN 0.235 nan 8.270 nan 0.000 0.518 92 L N 2.058 123.249 121.223 -0.053 0.000 2.301 92 L HA 0.497 4.837 4.340 -0.000 0.000 0.278 92 L C -0.748 176.113 176.870 -0.015 0.000 1.022 92 L CA -0.698 54.094 54.840 -0.079 0.000 0.854 92 L CB 0.763 42.711 42.059 -0.184 0.000 1.226 92 L HN 0.124 nan 8.230 nan 0.000 0.429 93 I N 2.041 122.627 120.570 0.026 0.000 2.412 93 I HA 0.542 4.712 4.170 -0.000 0.000 0.296 93 I C 0.373 176.482 176.117 -0.014 0.000 0.987 93 I CA -0.269 61.036 61.300 0.007 0.000 1.180 93 I CB 2.093 40.103 38.000 0.018 0.000 1.340 93 I HN 0.444 nan 8.210 nan 0.000 0.455 94 T N 1.926 116.460 114.554 -0.034 0.000 2.916 94 T HA 0.581 4.931 4.350 -0.000 0.000 0.305 94 T C 0.314 174.979 174.700 -0.058 0.000 1.119 94 T CA -0.433 61.640 62.100 -0.045 0.000 1.008 94 T CB 1.742 70.591 68.868 -0.031 0.000 1.129 94 T HN 0.755 nan 8.240 nan 0.000 0.480 95 G N 1.596 110.352 108.800 -0.072 0.000 3.192 95 G HA2 0.247 4.207 3.960 -0.000 0.000 0.239 95 G HA3 0.247 4.207 3.960 -0.000 0.000 0.239 95 G C 0.812 175.680 174.900 -0.053 0.000 1.084 95 G CA 0.603 45.657 45.100 -0.077 0.000 0.784 95 G HN 1.064 nan 8.290 nan 0.000 0.540 96 K N -0.529 119.847 120.400 -0.040 0.000 8.623 96 K HA -0.314 4.006 4.320 -0.000 0.000 0.494 96 K C 0.434 177.018 176.600 -0.027 0.000 0.366 96 K CA 2.056 58.326 56.287 -0.029 0.000 1.954 96 K CB -1.100 31.386 32.500 -0.022 0.000 0.699 96 K HN 0.461 nan 8.250 nan 0.000 0.968 97 E N 2.046 122.228 120.200 -0.030 0.000 2.156 97 E HA 0.204 4.554 4.350 -0.000 0.000 0.279 97 E C -0.465 176.115 176.600 -0.033 0.000 0.965 97 E CA -0.558 55.827 56.400 -0.025 0.000 0.789 97 E CB 1.324 31.014 29.700 -0.017 0.000 1.098 97 E HN 0.254 nan 8.360 nan 0.000 0.397 98 D N 2.813 123.195 120.400 -0.030 0.000 2.363 98 D HA 0.073 4.713 4.640 -0.000 0.000 0.240 98 D C 0.461 176.740 176.300 -0.035 0.000 1.236 98 D CA 0.562 54.541 54.000 -0.034 0.000 0.927 98 D CB 1.235 42.017 40.800 -0.031 0.000 1.150 98 D HN 0.561 nan 8.370 nan 0.000 0.458 99 A N 1.196 123.996 122.820 -0.033 0.000 2.072 99 A HA 0.325 4.645 4.320 -0.000 0.000 0.216 99 A C 1.448 179.010 177.584 -0.037 0.000 1.156 99 A CA 1.452 53.475 52.037 -0.025 0.000 0.701 99 A CB -0.503 18.494 19.000 -0.005 0.000 0.816 99 A HN 1.142 nan 8.150 nan 0.000 0.458 100 A N -1.110 121.677 122.820 -0.054 0.000 2.816 100 A HA -0.254 4.066 4.320 -0.000 0.000 0.270 100 A C 0.730 178.244 177.584 -0.116 0.000 1.413 100 A CA 1.135 53.115 52.037 -0.095 0.000 0.866 100 A CB -2.385 16.545 19.000 -0.116 0.000 1.032 100 A HN 1.149 nan 8.150 nan 0.000 0.642 101 N N -1.481 117.182 118.700 -0.062 0.000 2.776 101 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 101 N C -0.606 174.880 175.510 -0.039 0.000 1.111 101 N CA 1.524 54.548 53.050 -0.044 0.000 0.711 101 N CB -1.298 37.141 38.487 -0.079 0.000 1.065 101 N HN 1.590 nan 8.380 nan 0.000 0.556 102 N N -0.928 117.751 118.700 -0.036 0.000 2.425 102 N HA 0.044 4.784 4.740 -0.000 0.000 0.289 102 N C 0.586 176.166 175.510 0.116 0.000 1.074 102 N CA -0.601 52.430 53.050 -0.032 0.000 0.905 102 N CB 0.271 38.467 38.487 -0.485 0.000 1.586 102 N HN -0.011 nan 8.380 nan 0.000 0.490 103 Y N 3.448 123.886 120.300 0.230 0.000 2.133 103 Y HA -0.336 4.214 4.550 -0.000 0.000 0.279 103 Y C 2.223 178.250 175.900 0.212 0.000 1.209 103 Y CA 3.281 61.519 58.100 0.229 0.000 1.152 103 Y CB -0.398 38.212 38.460 0.249 0.000 0.961 103 Y HN 0.765 nan 8.280 nan 0.000 0.512 104 A N 0.010 123.051 122.820 0.368 0.000 1.917 104 A HA -0.292 4.028 4.320 -0.000 0.000 0.219 104 A C 2.240 179.930 177.584 0.177 0.000 1.182 104 A CA 2.157 54.409 52.037 0.357 0.000 0.633 104 A CB -0.826 18.428 19.000 0.423 0.000 0.819 104 A HN 0.549 nan 8.150 nan 0.000 0.448 105 R N -0.701 119.838 120.500 0.065 0.000 2.070 105 R HA -0.044 4.296 4.340 -0.000 0.000 0.232 105 R C 2.342 178.656 176.300 0.023 0.000 1.138 105 R CA 1.920 58.049 56.100 0.049 0.000 0.936 105 R CB -1.074 29.229 30.300 0.006 0.000 0.839 105 R HN 0.415 nan 8.270 nan 0.000 0.429 106 G N -1.310 107.481 108.800 -0.016 0.000 2.418 106 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.217 106 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.217 106 G C 1.339 176.202 174.900 -0.062 0.000 1.158 106 G CA 1.325 46.428 45.100 0.004 0.000 0.771 106 G HN 0.520 nan 8.290 nan 0.000 0.545 107 H N -1.336 117.470 119.070 -0.440 0.000 2.462 107 H HA 0.112 4.668 4.556 -0.000 0.000 0.292 107 H C 1.676 176.689 175.328 -0.524 0.000 1.049 107 H CA 1.520 57.153 56.048 -0.692 0.000 1.334 107 H CB 0.142 29.055 29.762 -1.416 0.000 1.404 107 H HN 0.536 nan 8.280 nan 0.000 0.544 108 Y N -2.942 117.319 120.300 -0.065 0.000 3.011 108 Y HA 0.111 4.661 4.550 -0.000 0.000 0.231 108 Y C 2.588 178.481 175.900 -0.011 0.000 0.983 108 Y CA 0.283 58.359 58.100 -0.040 0.000 1.429 108 Y CB 0.034 38.524 38.460 0.050 0.000 1.491 108 Y HN -0.032 nan 8.280 nan 0.000 0.444 109 T N 1.093 115.769 114.554 0.204 0.000 2.612 109 T HA -0.167 4.183 4.350 -0.000 0.000 0.259 109 T C 1.655 176.398 174.700 0.072 0.000 1.065 109 T CA 1.823 63.997 62.100 0.123 0.000 1.167 109 T CB -0.441 68.493 68.868 0.110 0.000 0.863 109 T HN 0.130 nan 8.240 nan 0.000 0.407 110 I N 0.838 121.440 120.570 0.052 0.000 3.419 110 I HA 0.252 4.422 4.170 -0.000 0.000 0.286 110 I C 2.084 178.211 176.117 0.016 0.000 1.268 110 I CA 0.279 61.593 61.300 0.022 0.000 1.414 110 I CB -0.290 37.712 38.000 0.004 0.000 1.074 110 I HN 0.278 nan 8.210 nan 0.000 0.457 111 G N -0.367 108.460 108.800 0.046 0.000 2.439 111 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.212 111 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.212 111 G C 1.611 176.577 174.900 0.109 0.000 1.199 111 G CA 0.310 45.480 45.100 0.117 0.000 0.807 111 G HN 0.199 nan 8.290 nan 0.000 0.537 112 K N -0.123 120.306 120.400 0.048 0.000 2.195 112 K HA -0.302 4.018 4.320 -0.000 0.000 0.216 112 K C 2.365 178.991 176.600 0.043 0.000 1.039 112 K CA 2.121 58.428 56.287 0.033 0.000 0.940 112 K CB -0.052 32.469 32.500 0.036 0.000 0.778 112 K HN 0.197 nan 8.250 nan 0.000 0.475 113 E N 0.108 120.331 120.200 0.038 0.000 2.028 113 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 113 E C 2.023 178.637 176.600 0.023 0.000 0.988 113 E CA 1.008 57.421 56.400 0.022 0.000 0.799 113 E CB -0.187 29.518 29.700 0.008 0.000 0.755 113 E HN 0.271 nan 8.360 nan 0.000 0.447 114 I N 0.956 121.538 120.570 0.020 0.000 2.852 114 I HA -0.068 4.102 4.170 -0.000 0.000 0.264 114 I C 2.043 178.219 176.117 0.097 0.000 1.179 114 I CA 0.104 61.410 61.300 0.010 0.000 1.480 114 I CB -0.079 37.864 38.000 -0.096 0.000 1.111 114 I HN 0.086 nan 8.210 nan 0.000 0.441 115 I N 0.870 121.564 120.570 0.206 0.000 2.290 115 I HA -0.384 3.786 4.170 -0.000 0.000 0.253 115 I C 1.473 177.661 176.117 0.118 0.000 1.112 115 I CA 2.033 63.493 61.300 0.267 0.000 1.377 115 I CB -0.564 37.524 38.000 0.147 0.000 1.060 115 I HN 0.297 nan 8.210 nan 0.000 0.428 116 D N -0.351 120.089 120.400 0.067 0.000 2.277 116 D HA -0.122 4.518 4.640 -0.000 0.000 0.208 116 D C 1.913 178.238 176.300 0.042 0.000 0.962 116 D CA 0.212 54.232 54.000 0.034 0.000 0.865 116 D CB 0.184 40.995 40.800 0.017 0.000 0.939 116 D HN 0.136 nan 8.370 nan 0.000 0.510 117 L N 0.439 121.694 121.223 0.054 0.000 1.988 117 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 117 L C 2.117 179.028 176.870 0.068 0.000 1.071 117 L CA 1.342 56.211 54.840 0.049 0.000 0.744 117 L CB -0.905 41.175 42.059 0.036 0.000 0.893 117 L HN -0.032 nan 8.230 nan 0.000 0.433 118 V N -0.144 119.834 119.914 0.107 0.000 2.215 118 V HA -0.369 3.751 4.120 -0.000 0.000 0.249 118 V C 2.617 178.776 176.094 0.107 0.000 1.054 118 V CA 2.171 64.555 62.300 0.139 0.000 1.012 118 V CB -0.817 31.160 31.823 0.258 0.000 0.639 118 V HN 0.438 nan 8.190 nan 0.000 0.448 119 L N 0.251 121.525 121.223 0.086 0.000 2.103 119 L HA -0.296 4.044 4.340 -0.000 0.000 0.215 119 L C 2.190 179.099 176.870 0.064 0.000 1.080 119 L CA 2.562 57.431 54.840 0.049 0.000 0.764 119 L CB -0.586 41.471 42.059 -0.003 0.000 0.890 119 L HN 0.555 nan 8.230 nan 0.000 0.435 120 D N -0.889 119.544 120.400 0.054 0.000 2.077 120 D HA -0.219 4.421 4.640 -0.000 0.000 0.196 120 D C 2.348 178.689 176.300 0.067 0.000 0.986 120 D CA 1.443 55.473 54.000 0.050 0.000 0.829 120 D CB -0.055 40.766 40.800 0.034 0.000 0.983 120 D HN 0.127 nan 8.370 nan 0.000 0.453 121 R N -0.061 120.479 120.500 0.067 0.000 2.120 121 R HA -0.057 4.283 4.340 -0.000 0.000 0.234 121 R C 2.478 178.829 176.300 0.084 0.000 1.123 121 R CA 1.286 57.423 56.100 0.062 0.000 0.975 121 R CB -0.393 29.943 30.300 0.059 0.000 0.866 121 R HN 0.499 nan 8.270 nan 0.000 0.446 122 I N -2.421 118.222 120.570 0.121 0.000 2.439 122 I HA -0.138 4.032 4.170 -0.000 0.000 0.251 122 I C 2.102 178.334 176.117 0.191 0.000 1.139 122 I CA 1.218 62.616 61.300 0.163 0.000 1.438 122 I CB -0.307 37.796 38.000 0.171 0.000 1.085 122 I HN -0.030 nan 8.210 nan 0.000 0.427 123 R N 1.517 122.141 120.500 0.206 0.000 2.115 123 R HA -0.056 4.284 4.340 -0.000 0.000 0.230 123 R C 2.326 178.696 176.300 0.118 0.000 1.111 123 R CA 1.191 57.424 56.100 0.221 0.000 0.976 123 R CB -0.075 30.345 30.300 0.200 0.000 0.870 123 R HN 0.351 nan 8.270 nan 0.000 0.445 124 K N -0.033 120.411 120.400 0.073 0.000 2.103 124 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 124 K C 1.883 178.488 176.600 0.008 0.000 1.048 124 K CA 1.179 57.481 56.287 0.025 0.000 0.930 124 K CB -0.064 32.436 32.500 -0.001 0.000 0.716 124 K HN 0.221 nan 8.250 nan 0.000 0.444 125 L N -0.254 120.983 121.223 0.023 0.000 2.131 125 L HA -0.047 4.293 4.340 -0.000 0.000 0.206 125 L C 2.010 178.878 176.870 -0.004 0.000 1.087 125 L CA 0.740 55.581 54.840 0.002 0.000 0.767 125 L CB -0.143 41.932 42.059 0.027 0.000 0.917 125 L HN 0.147 nan 8.230 nan 0.000 0.441 126 A N -1.448 121.385 122.820 0.022 0.000 2.238 126 A HA -0.129 4.191 4.320 -0.000 0.000 0.208 126 A C 1.491 179.076 177.584 0.003 0.000 1.177 126 A CA 0.859 52.883 52.037 -0.023 0.000 0.804 126 A CB -0.324 18.643 19.000 -0.055 0.000 0.823 126 A HN 0.358 nan 8.150 nan 0.000 0.482 127 D N -0.137 120.277 120.400 0.023 0.000 2.162 127 D HA -0.086 4.554 4.640 -0.000 0.000 0.203 127 D C 1.484 177.783 176.300 -0.001 0.000 0.967 127 D CA 0.965 54.978 54.000 0.022 0.000 0.840 127 D CB 0.078 40.894 40.800 0.026 0.000 0.972 127 D HN 0.580 nan 8.370 nan 0.000 0.482 128 Q N 0.937 120.728 119.800 -0.016 0.000 3.006 128 Q HA 0.219 4.559 4.340 -0.000 0.000 0.260 128 Q C -1.240 174.739 176.000 -0.034 0.000 1.356 128 Q CA -0.041 55.748 55.803 -0.023 0.000 1.070 128 Q CB -0.159 28.563 28.738 -0.027 0.000 1.507 128 Q HN 0.114 nan 8.270 nan 0.000 0.568 129 C N 2.140 121.419 119.300 -0.035 0.000 3.140 129 C HA 0.181 4.641 4.460 -0.000 0.000 0.374 129 C C 0.151 175.115 174.990 -0.043 0.000 1.055 129 C CA -0.756 58.231 59.018 -0.052 0.000 1.315 129 C CB 0.902 28.594 27.740 -0.081 0.000 1.732 129 C HN 0.687 nan 8.230 nan 0.000 0.532 130 T N -0.497 114.036 114.554 -0.035 0.000 2.978 130 T HA 0.479 4.829 4.350 -0.000 0.000 0.278 130 T C 1.005 175.685 174.700 -0.032 0.000 0.945 130 T CA 0.816 62.900 62.100 -0.026 0.000 1.070 130 T CB 0.175 69.032 68.868 -0.019 0.000 0.948 130 T HN 1.972 nan 8.240 nan 0.000 0.617 131 G N 2.252 111.030 108.800 -0.037 0.000 2.392 131 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.215 131 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.215 131 G C -0.221 174.635 174.900 -0.073 0.000 1.097 131 G CA -0.426 44.649 45.100 -0.042 0.000 0.840 131 G HN 1.126 nan 8.290 nan 0.000 0.492 132 L N -0.354 120.806 121.223 -0.106 0.000 2.543 132 L HA 0.407 4.747 4.340 -0.000 0.000 0.285 132 L C 1.394 178.149 176.870 -0.190 0.000 1.236 132 L CA 1.378 56.109 54.840 -0.181 0.000 0.871 132 L CB 0.684 42.586 42.059 -0.262 0.000 1.121 132 L HN 0.437 nan 8.230 nan 0.000 0.501 133 Q N 2.735 122.404 119.800 -0.217 0.000 2.141 133 Q HA 0.337 4.677 4.340 -0.000 0.000 0.194 133 Q C 0.483 176.348 176.000 -0.225 0.000 0.975 133 Q CA 0.715 56.420 55.803 -0.164 0.000 0.834 133 Q CB 0.394 29.069 28.738 -0.105 0.000 0.916 133 Q HN 0.995 nan 8.270 nan 0.000 0.484 134 G N -1.256 107.330 108.800 -0.357 0.000 2.570 134 G HA2 0.458 4.418 3.960 -0.000 0.000 0.310 134 G HA3 0.458 4.418 3.960 -0.000 0.000 0.310 134 G C -1.795 172.722 174.900 -0.639 0.000 1.266 134 G CA -0.781 44.085 45.100 -0.391 0.000 0.825 134 G HN 0.137 nan 8.290 nan 0.000 0.483 135 F N -0.123 119.790 119.950 -0.061 0.000 2.556 135 F HA 0.620 5.147 4.527 0.000 0.000 0.314 135 F C 0.015 175.808 175.800 -0.012 0.000 1.106 135 F CA -0.692 57.285 58.000 -0.037 0.000 0.911 135 F CB 2.384 41.366 39.000 -0.030 0.000 1.190 135 F HN 0.145 nan 8.300 nan 0.000 0.448 136 L N 3.917 125.281 121.223 0.235 0.000 2.289 136 L HA 0.671 5.011 4.340 -0.000 0.000 0.285 136 L C -0.816 176.129 176.870 0.125 0.000 1.049 136 L CA -0.862 54.060 54.840 0.136 0.000 0.804 136 L CB 1.435 43.626 42.059 0.220 0.000 1.195 136 L HN 0.323 nan 8.230 nan 0.000 0.428 137 V N 3.892 123.771 119.914 -0.057 0.000 2.443 137 V HA 0.415 4.535 4.120 -0.000 0.000 0.293 137 V C -0.706 175.346 176.094 -0.069 0.000 1.021 137 V CA -0.422 61.893 62.300 0.026 0.000 0.848 137 V CB 1.531 33.355 31.823 0.002 0.000 0.998 137 V HN 0.358 nan 8.190 nan 0.000 0.424 138 F N 5.530 125.475 119.950 -0.007 0.000 2.411 138 F HA 0.727 5.254 4.527 -0.000 0.000 0.352 138 F C 0.381 176.251 175.800 0.117 0.000 1.123 138 F CA -0.400 57.590 58.000 -0.017 0.000 1.044 138 F CB 1.156 39.923 39.000 -0.389 0.000 1.135 138 F HN 0.702 nan 8.300 nan 0.000 0.461 139 H N -0.961 118.185 119.070 0.127 0.000 3.017 139 H HA 0.572 5.128 4.556 -0.000 0.000 0.346 139 H C -1.562 173.804 175.328 0.064 0.000 1.286 139 H CA -1.338 54.771 56.048 0.101 0.000 1.120 139 H CB 0.947 30.782 29.762 0.120 0.000 1.860 139 H HN 0.393 nan 8.280 nan 0.000 0.542 140 S N 0.859 116.565 115.700 0.010 0.000 2.562 140 S HA 0.263 4.733 4.470 -0.000 0.000 0.275 140 S C 0.992 175.621 174.600 0.047 0.000 1.281 140 S CA -0.782 57.397 58.200 -0.035 0.000 1.045 140 S CB 0.985 64.217 63.200 0.054 0.000 0.962 140 S HN 0.558 nan 8.310 nan 0.000 0.503 141 F N 1.635 121.543 119.950 -0.070 0.000 2.037 141 F HA 0.135 4.662 4.527 -0.000 0.000 0.291 141 F C 1.959 177.808 175.800 0.081 0.000 1.137 141 F CA 0.437 58.448 58.000 0.018 0.000 1.178 141 F CB -0.347 38.676 39.000 0.039 0.000 0.995 141 F HN 0.743 nan 8.300 nan 0.000 0.472 142 G N -0.594 108.361 108.800 0.258 0.000 2.537 142 G HA2 0.455 4.415 3.960 -0.000 0.000 0.273 142 G HA3 0.455 4.415 3.960 -0.000 0.000 0.273 142 G C -0.646 174.344 174.900 0.150 0.000 1.189 142 G CA 0.287 45.483 45.100 0.159 0.000 0.881 142 G HN 0.707 nan 8.290 nan 0.000 0.535 143 G N -1.535 107.348 108.800 0.137 0.000 2.525 143 G HA2 0.421 4.381 3.960 -0.000 0.000 0.685 143 G HA3 0.421 4.381 3.960 -0.000 0.000 0.685 143 G C 0.739 175.727 174.900 0.146 0.000 1.285 143 G CA 0.010 45.178 45.100 0.114 0.000 0.849 143 G HN 1.461 nan 8.290 nan 0.000 0.653 144 G N -0.299 108.562 108.800 0.102 0.000 2.637 144 G HA2 0.185 4.145 3.960 -0.000 0.000 0.215 144 G HA3 0.185 4.145 3.960 -0.000 0.000 0.215 144 G C 2.196 177.171 174.900 0.124 0.000 1.289 144 G CA 3.066 48.222 45.100 0.094 0.000 0.816 144 G HN 2.139 nan 8.290 nan 0.000 0.580 145 T N -0.569 114.045 114.554 0.101 0.000 2.777 145 T HA 0.073 4.423 4.350 -0.000 0.000 0.266 145 T C 2.486 177.324 174.700 0.229 0.000 1.040 145 T CA 1.901 64.083 62.100 0.136 0.000 1.141 145 T CB -0.971 67.929 68.868 0.053 0.000 0.868 145 T HN 0.423 nan 8.240 nan 0.000 0.444 146 G N 1.512 110.441 108.800 0.215 0.000 2.606 146 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.221 146 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.221 146 G C 1.950 177.090 174.900 0.400 0.000 1.152 146 G CA 1.934 47.205 45.100 0.284 0.000 0.765 146 G HN 0.745 nan 8.290 nan 0.000 0.595 147 S N 0.430 116.360 115.700 0.384 0.000 2.371 147 S HA 0.173 4.643 4.470 -0.000 0.000 0.219 147 S C 2.473 177.349 174.600 0.460 0.000 1.040 147 S CA 1.074 59.559 58.200 0.474 0.000 0.958 147 S CB -0.902 62.582 63.200 0.474 0.000 0.860 147 S HN 0.536 nan 8.310 nan 0.000 0.487 148 G N 1.453 110.450 108.800 0.327 0.000 2.552 148 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.216 148 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.216 148 G C 1.232 176.151 174.900 0.033 0.000 1.240 148 G CA 0.854 45.921 45.100 -0.054 0.000 0.796 148 G HN 0.417 nan 8.290 nan 0.000 0.568 149 F N 1.753 121.687 119.950 -0.026 0.000 2.046 149 F HA -0.144 4.383 4.527 -0.000 0.000 0.297 149 F C 3.086 178.883 175.800 -0.005 0.000 1.123 149 F CA 2.328 60.307 58.000 -0.035 0.000 1.199 149 F CB -0.517 38.475 39.000 -0.015 0.000 0.972 149 F HN 0.167 nan 8.300 nan 0.000 0.474 150 T N -0.457 114.136 114.554 0.065 0.000 2.564 150 T HA -0.385 3.965 4.350 -0.000 0.000 0.264 150 T C 2.107 176.711 174.700 -0.161 0.000 1.100 150 T CA 2.034 64.079 62.100 -0.091 0.000 1.171 150 T CB -1.098 67.730 68.868 -0.068 0.000 0.863 150 T HN 0.400 nan 8.240 nan 0.000 0.430 151 S N 0.561 116.267 115.700 0.009 0.000 2.380 151 S HA -0.184 4.286 4.470 -0.000 0.000 0.229 151 S C 1.983 176.574 174.600 -0.014 0.000 1.050 151 S CA 1.850 60.097 58.200 0.077 0.000 1.100 151 S CB -0.678 62.696 63.200 0.290 0.000 0.984 151 S HN 0.359 nan 8.310 nan 0.000 0.434 152 L N 1.669 122.864 121.223 -0.046 0.000 1.989 152 L HA -0.051 4.289 4.340 -0.000 0.000 0.211 152 L C 2.361 178.984 176.870 -0.412 0.000 1.071 152 L CA 1.826 56.492 54.840 -0.290 0.000 0.749 152 L CB -0.698 41.048 42.059 -0.521 0.000 0.890 152 L HN 0.458 nan 8.230 nan 0.000 0.431 153 L N -1.116 119.729 121.223 -0.630 0.000 1.976 153 L HA -0.367 3.973 4.340 -0.000 0.000 0.223 153 L C 2.621 179.278 176.870 -0.355 0.000 1.081 153 L CA 2.478 56.981 54.840 -0.562 0.000 0.784 153 L CB -0.385 41.319 42.059 -0.591 0.000 0.896 153 L HN 0.418 nan 8.230 nan 0.000 0.438 154 M N -0.804 118.618 119.600 -0.297 0.000 2.144 154 M HA -0.234 4.246 4.480 -0.000 0.000 0.260 154 M C 2.022 178.138 176.300 -0.307 0.000 1.067 154 M CA 1.652 56.813 55.300 -0.233 0.000 1.095 154 M CB -1.000 31.511 32.600 -0.149 0.000 1.365 154 M HN 0.370 nan 8.290 nan 0.000 0.406 155 E N 0.208 120.159 120.200 -0.414 0.000 2.023 155 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 155 E C 2.110 178.468 176.600 -0.402 0.000 1.003 155 E CA 1.205 57.203 56.400 -0.668 0.000 0.809 155 E CB -0.410 29.026 29.700 -0.439 0.000 0.755 155 E HN 0.563 nan 8.360 nan 0.000 0.449 156 R N 0.519 120.846 120.500 -0.288 0.000 2.115 156 R HA -0.055 4.285 4.340 -0.000 0.000 0.230 156 R C 2.652 178.837 176.300 -0.193 0.000 1.111 156 R CA 0.580 56.550 56.100 -0.217 0.000 0.976 156 R CB -0.392 29.787 30.300 -0.201 0.000 0.870 156 R HN 0.171 nan 8.270 nan 0.000 0.445 157 L N 0.216 121.327 121.223 -0.187 0.000 1.990 157 L HA -0.255 4.085 4.340 -0.000 0.000 0.213 157 L C 2.445 179.305 176.870 -0.017 0.000 1.072 157 L CA 1.413 56.199 54.840 -0.090 0.000 0.755 157 L CB -0.494 41.469 42.059 -0.160 0.000 0.889 157 L HN 0.132 nan 8.230 nan 0.000 0.432 158 S N -0.887 114.779 115.700 -0.056 0.000 2.407 158 S HA -0.176 4.294 4.470 -0.000 0.000 0.235 158 S C 1.792 176.389 174.600 -0.004 0.000 1.036 158 S CA 1.464 59.670 58.200 0.011 0.000 1.013 158 S CB -0.184 63.029 63.200 0.022 0.000 0.820 158 S HN 0.240 nan 8.310 nan 0.000 0.476 159 V N 0.783 120.651 119.914 -0.077 0.000 2.331 159 V HA -0.052 4.068 4.120 -0.000 0.000 0.242 159 V C 1.819 177.832 176.094 -0.134 0.000 1.034 159 V CA 1.562 63.812 62.300 -0.084 0.000 1.027 159 V CB -0.808 30.955 31.823 -0.100 0.000 0.667 159 V HN 0.301 nan 8.190 nan 0.000 0.457 160 D N -1.111 119.135 120.400 -0.257 0.000 2.178 160 D HA -0.089 4.551 4.640 -0.000 0.000 0.201 160 D C -0.006 175.912 176.300 -0.638 0.000 0.980 160 D CA 1.189 54.883 54.000 -0.509 0.000 0.842 160 D CB -0.042 40.318 40.800 -0.735 0.000 0.948 160 D HN 0.611 nan 8.370 nan 0.000 0.472 161 Y N -1.124 119.211 120.300 0.059 0.000 2.526 161 Y HA 0.415 4.965 4.550 -0.000 0.000 0.328 161 Y C 1.240 177.188 175.900 0.080 0.000 0.995 161 Y CA -1.053 57.108 58.100 0.102 0.000 1.304 161 Y CB 1.651 40.248 38.460 0.229 0.000 1.096 161 Y HN -0.192 nan 8.280 nan 0.000 0.499 162 G N 2.724 111.621 108.800 0.162 0.000 2.524 162 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.215 162 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.215 162 G C 1.288 176.249 174.900 0.102 0.000 1.239 162 G CA 1.069 46.229 45.100 0.099 0.000 0.798 162 G HN 0.474 nan 8.290 nan 0.000 0.557 163 K N 0.813 121.269 120.400 0.093 0.000 1.979 163 K HA 0.094 4.414 4.320 -0.000 0.000 0.213 163 K C 0.609 177.259 176.600 0.082 0.000 1.036 163 K CA 0.464 56.793 56.287 0.070 0.000 0.954 163 K CB -0.282 32.247 32.500 0.048 0.000 0.743 163 K HN 0.038 nan 8.250 nan 0.000 0.443 164 K N 2.695 123.138 120.400 0.073 0.000 2.365 164 K HA -0.141 4.179 4.320 -0.000 0.000 0.242 164 K C -0.543 176.106 176.600 0.082 0.000 1.078 164 K CA 0.604 56.917 56.287 0.043 0.000 1.143 164 K CB -1.352 31.155 32.500 0.011 0.000 0.735 164 K HN 0.283 nan 8.250 nan 0.000 0.494 165 S N 3.103 118.827 115.700 0.041 0.000 2.579 165 S HA 0.176 4.646 4.470 -0.000 0.000 0.275 165 S C 0.239 174.895 174.600 0.092 0.000 1.345 165 S CA -0.508 57.724 58.200 0.054 0.000 1.031 165 S CB 0.980 64.200 63.200 0.033 0.000 0.892 165 S HN 0.400 nan 8.310 nan 0.000 0.529 166 K N 0.798 121.247 120.400 0.081 0.000 2.292 166 K HA 0.552 4.872 4.320 -0.000 0.000 0.257 166 K C -1.482 175.105 176.600 -0.021 0.000 0.940 166 K CA -0.554 55.790 56.287 0.096 0.000 0.811 166 K CB 1.405 33.957 32.500 0.088 0.000 1.120 166 K HN 0.340 nan 8.250 nan 0.000 0.428 167 L N 3.345 124.543 121.223 -0.041 0.000 2.345 167 L HA 0.216 4.556 4.340 -0.000 0.000 0.274 167 L C -0.511 176.257 176.870 -0.170 0.000 0.999 167 L CA -0.211 54.519 54.840 -0.183 0.000 0.849 167 L CB 1.322 43.253 42.059 -0.213 0.000 1.220 167 L HN 0.623 nan 8.230 nan 0.000 0.422 168 E N 3.084 123.160 120.200 -0.207 0.000 2.242 168 E HA 0.368 4.718 4.350 -0.000 0.000 0.275 168 E C -1.391 175.111 176.600 -0.162 0.000 1.002 168 E CA -0.500 55.853 56.400 -0.078 0.000 0.841 168 E CB 1.323 31.061 29.700 0.064 0.000 1.109 168 E HN 0.361 nan 8.360 nan 0.000 0.394 169 F N 2.100 121.972 119.950 -0.130 0.000 2.552 169 F HA 0.237 4.764 4.527 -0.000 0.000 0.369 169 F C -0.534 175.163 175.800 -0.172 0.000 1.112 169 F CA -0.546 57.384 58.000 -0.118 0.000 1.129 169 F CB 1.719 40.571 39.000 -0.247 0.000 1.360 169 F HN 0.344 nan 8.300 nan 0.000 0.473 170 S N 3.552 119.133 115.700 -0.198 0.000 2.545 170 S HA 0.437 4.907 4.470 -0.000 0.000 0.275 170 S C -0.103 174.201 174.600 -0.493 0.000 1.299 170 S CA -0.406 57.358 58.200 -0.727 0.000 1.048 170 S CB 1.082 63.394 63.200 -1.479 0.000 0.938 170 S HN 0.310 nan 8.310 nan 0.000 0.496 171 I N 3.627 123.945 120.570 -0.419 0.000 2.316 171 I HA 0.165 4.335 4.170 -0.000 0.000 0.286 171 I C -0.144 175.962 176.117 -0.020 0.000 1.107 171 I CA -0.422 60.788 61.300 -0.150 0.000 1.219 171 I CB -0.514 37.436 38.000 -0.085 0.000 1.455 171 I HN 0.607 nan 8.210 nan 0.000 0.498 172 Y N 9.114 129.381 120.300 -0.055 0.000 2.717 172 Y HA 0.193 4.743 4.550 0.000 0.000 0.330 172 Y C -2.186 173.795 175.900 0.135 0.000 1.217 172 Y CA -1.230 57.045 58.100 0.291 0.000 1.506 172 Y CB 0.306 38.939 38.460 0.289 0.000 1.268 172 Y HN 0.360 nan 8.280 nan 0.000 0.561 173 P HA 0.549 nan 4.420 nan 0.000 0.292 173 P C -1.866 175.256 177.300 -0.296 0.000 1.300 173 P CA -0.644 62.328 63.100 -0.214 0.000 0.900 173 P CB 2.083 33.691 31.700 -0.153 0.000 1.139 174 A N 3.122 125.865 122.820 -0.129 0.000 2.449 174 A HA 0.643 4.963 4.320 -0.000 0.000 0.302 174 A C -1.981 175.546 177.584 -0.096 0.000 1.048 174 A CA -1.818 50.155 52.037 -0.107 0.000 0.708 174 A CB 0.710 19.671 19.000 -0.065 0.000 1.274 174 A HN 0.237 nan 8.150 nan 0.000 0.410 175 P HA -0.344 nan 4.420 nan 0.000 0.222 175 P C 1.410 178.663 177.300 -0.078 0.000 1.157 175 P CA 2.377 65.433 63.100 -0.073 0.000 0.905 175 P CB 0.081 31.744 31.700 -0.061 0.000 0.792 176 Q N -0.190 119.531 119.800 -0.132 0.000 1.984 176 Q HA -0.035 4.305 4.340 -0.000 0.000 0.196 176 Q C 0.893 176.842 176.000 -0.084 0.000 0.975 176 Q CA 1.278 56.996 55.803 -0.141 0.000 0.827 176 Q CB -1.431 27.131 28.738 -0.293 0.000 0.894 176 Q HN 0.096 nan 8.270 nan 0.000 0.438 177 V N 3.095 122.950 119.914 -0.099 0.000 2.377 177 V HA 0.081 4.201 4.120 -0.000 0.000 0.254 177 V C 0.441 176.593 176.094 0.096 0.000 1.060 177 V CA -0.260 62.075 62.300 0.058 0.000 1.068 177 V CB 0.064 32.004 31.823 0.195 0.000 1.113 177 V HN 0.231 nan 8.190 nan 0.000 0.484 178 S N 4.344 120.080 115.700 0.060 0.000 2.544 178 S HA 0.127 4.597 4.470 -0.000 0.000 0.290 178 S C 1.126 175.756 174.600 0.049 0.000 1.276 178 S CA 0.077 58.294 58.200 0.029 0.000 1.075 178 S CB 0.235 63.436 63.200 0.001 0.000 0.849 178 S HN 1.003 nan 8.310 nan 0.000 0.494 179 T N 3.139 117.696 114.554 0.006 0.000 3.560 179 T HA 0.734 5.084 4.350 -0.000 0.000 0.350 179 T C 0.122 174.810 174.700 -0.020 0.000 1.264 179 T CA -0.317 61.777 62.100 -0.010 0.000 0.924 179 T CB 0.132 68.974 68.868 -0.044 0.000 1.997 179 T HN 0.868 nan 8.240 nan 0.000 0.553 180 A N -0.634 122.155 122.820 -0.052 0.000 2.547 180 A HA 0.614 4.934 4.320 -0.000 0.000 0.297 180 A C 1.052 178.551 177.584 -0.142 0.000 1.056 180 A CA -0.607 51.378 52.037 -0.088 0.000 0.688 180 A CB 1.054 20.000 19.000 -0.089 0.000 1.282 180 A HN 0.685 nan 8.150 nan 0.000 0.400 181 V N 1.973 121.777 119.914 -0.183 0.000 2.265 181 V HA -0.337 3.783 4.120 -0.000 0.000 0.259 181 V C 2.387 178.257 176.094 -0.372 0.000 1.084 181 V CA 2.933 65.068 62.300 -0.275 0.000 1.076 181 V CB -0.996 30.576 31.823 -0.418 0.000 0.680 181 V HN 1.498 nan 8.190 nan 0.000 0.452 182 V N -0.862 118.801 119.914 -0.419 0.000 3.573 182 V HA -0.007 4.113 4.120 -0.000 0.000 0.270 182 V C 2.116 178.142 176.094 -0.112 0.000 1.221 182 V CA 1.703 63.773 62.300 -0.384 0.000 1.163 182 V CB 0.063 31.702 31.823 -0.307 0.000 0.847 182 V HN 0.583 nan 8.190 nan 0.000 0.468 183 E N 1.418 121.568 120.200 -0.084 0.000 2.055 183 E HA -0.191 4.159 4.350 -0.000 0.000 0.209 183 E C -0.068 176.562 176.600 0.050 0.000 1.036 183 E CA 2.971 59.369 56.400 -0.003 0.000 0.849 183 E CB -1.365 28.311 29.700 -0.040 0.000 0.767 183 E HN 0.518 nan 8.360 nan 0.000 0.461 184 P HA -0.248 nan 4.420 nan 0.000 0.219 184 P C 0.913 178.434 177.300 0.368 0.000 1.158 184 P CA 1.780 64.966 63.100 0.143 0.000 0.895 184 P CB -0.249 31.524 31.700 0.121 0.000 0.792 185 Y N -0.954 119.474 120.300 0.213 0.000 2.053 185 Y HA -0.293 4.257 4.550 -0.000 0.000 0.277 185 Y C 2.420 178.381 175.900 0.101 0.000 1.159 185 Y CA 0.665 58.925 58.100 0.267 0.000 1.125 185 Y CB -0.939 37.681 38.460 0.267 0.000 0.969 185 Y HN -0.024 nan 8.280 nan 0.000 0.492 186 N N 0.244 119.142 118.700 0.330 0.000 2.060 186 N HA -0.189 4.551 4.740 -0.000 0.000 0.195 186 N C 1.845 177.394 175.510 0.065 0.000 1.028 186 N CA 1.909 55.098 53.050 0.232 0.000 0.861 186 N CB -0.768 37.884 38.487 0.275 0.000 1.029 186 N HN 0.283 nan 8.380 nan 0.000 0.428 187 S N 1.110 116.830 115.700 0.034 0.000 2.348 187 S HA -0.028 4.442 4.470 -0.000 0.000 0.221 187 S C 1.995 176.450 174.600 -0.241 0.000 1.033 187 S CA 0.722 58.839 58.200 -0.138 0.000 1.010 187 S CB -0.296 62.757 63.200 -0.244 0.000 0.891 187 S HN 0.176 nan 8.310 nan 0.000 0.442 188 I N 1.896 122.352 120.570 -0.190 0.000 2.264 188 I HA -0.105 4.065 4.170 -0.000 0.000 0.248 188 I C 2.276 178.171 176.117 -0.370 0.000 1.111 188 I CA 0.955 62.063 61.300 -0.319 0.000 1.382 188 I CB -1.475 36.266 38.000 -0.431 0.000 1.060 188 I HN 0.258 nan 8.210 nan 0.000 0.418 189 L N -0.063 120.919 121.223 -0.402 0.000 1.973 189 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 189 L C 2.718 179.193 176.870 -0.659 0.000 1.073 189 L CA 2.011 56.453 54.840 -0.663 0.000 0.746 189 L CB -0.606 40.887 42.059 -0.942 0.000 0.891 189 L HN 0.226 nan 8.230 nan 0.000 0.433 190 T N -1.784 112.451 114.554 -0.533 0.000 2.595 190 T HA -0.291 4.059 4.350 -0.000 0.000 0.264 190 T C 1.902 176.576 174.700 -0.044 0.000 1.058 190 T CA 2.362 64.354 62.100 -0.180 0.000 1.166 190 T CB -0.273 68.716 68.868 0.202 0.000 0.863 190 T HN 0.367 nan 8.240 nan 0.000 0.415 191 T N 0.147 114.705 114.554 0.007 0.000 2.802 191 T HA -0.248 4.102 4.350 -0.000 0.000 0.269 191 T C 1.631 176.324 174.700 -0.011 0.000 1.062 191 T CA 2.316 64.460 62.100 0.073 0.000 1.133 191 T CB -0.583 68.252 68.868 -0.055 0.000 0.852 191 T HN 0.645 nan 8.240 nan 0.000 0.485 192 H N 1.290 120.232 119.070 -0.213 0.000 2.325 192 H HA -0.062 4.494 4.556 -0.000 0.000 0.296 192 H C 2.438 177.693 175.328 -0.121 0.000 1.053 192 H CA 2.910 58.831 56.048 -0.213 0.000 1.204 192 H CB -0.981 28.610 29.762 -0.285 0.000 1.383 192 H HN 0.391 nan 8.280 nan 0.000 0.532 193 T N -1.915 112.419 114.554 -0.368 0.000 2.759 193 T HA -0.182 4.168 4.350 -0.000 0.000 0.269 193 T C 2.159 176.833 174.700 -0.044 0.000 1.042 193 T CA 1.874 63.783 62.100 -0.319 0.000 1.140 193 T CB -0.930 67.838 68.868 -0.166 0.000 0.864 193 T HN 0.378 nan 8.240 nan 0.000 0.455 194 T N 1.385 115.957 114.554 0.030 0.000 2.985 194 T HA 0.205 4.555 4.350 -0.000 0.000 0.266 194 T C 1.832 176.592 174.700 0.100 0.000 1.076 194 T CA 0.496 62.671 62.100 0.124 0.000 1.135 194 T CB -0.452 68.504 68.868 0.147 0.000 0.890 194 T HN 0.383 nan 8.240 nan 0.000 0.480 195 L N 1.724 122.984 121.223 0.063 0.000 2.013 195 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 195 L C 2.248 179.085 176.870 -0.054 0.000 1.073 195 L CA 2.231 57.105 54.840 0.057 0.000 0.753 195 L CB -0.381 41.718 42.059 0.067 0.000 0.890 195 L HN 0.394 nan 8.230 nan 0.000 0.432 196 E N -2.214 117.879 120.200 -0.178 0.000 2.516 196 E HA -0.183 4.167 4.350 -0.000 0.000 0.199 196 E C 1.161 177.587 176.600 -0.289 0.000 1.069 196 E CA 1.266 57.504 56.400 -0.270 0.000 0.876 196 E CB -0.315 29.167 29.700 -0.362 0.000 0.843 196 E HN 0.699 nan 8.360 nan 0.000 0.530 197 H N -0.986 118.062 119.070 -0.037 0.000 2.874 197 H HA 0.318 4.874 4.556 -0.000 0.000 0.264 197 H C -0.095 175.216 175.328 -0.029 0.000 1.007 197 H CA -0.128 55.901 56.048 -0.032 0.000 1.207 197 H CB 1.154 30.893 29.762 -0.038 0.000 1.487 197 H HN -0.013 nan 8.280 nan 0.000 0.505 198 S N -0.485 115.247 115.700 0.054 0.000 2.532 198 S HA 0.141 4.611 4.470 -0.000 0.000 0.301 198 S C 0.036 174.595 174.600 -0.069 0.000 1.083 198 S CA -0.614 57.584 58.200 -0.004 0.000 1.025 198 S CB 1.487 64.684 63.200 -0.004 0.000 1.056 198 S HN 0.241 nan 8.310 nan 0.000 0.494 199 D N 0.694 121.038 120.400 -0.095 0.000 2.324 199 D HA 0.234 4.874 4.640 -0.000 0.000 0.212 199 D C 0.007 176.200 176.300 -0.179 0.000 0.984 199 D CA 0.403 54.341 54.000 -0.103 0.000 0.885 199 D CB 0.644 41.413 40.800 -0.052 0.000 0.996 199 D HN 0.427 nan 8.370 nan 0.000 0.505 200 C N 0.113 119.241 119.300 -0.287 0.000 3.090 200 C HA 0.799 5.259 4.460 -0.000 0.000 0.347 200 C C -1.822 172.801 174.990 -0.610 0.000 1.147 200 C CA -0.511 58.236 59.018 -0.452 0.000 1.305 200 C CB 0.754 28.223 27.740 -0.451 0.000 1.692 200 C HN 0.155 nan 8.230 nan 0.000 0.506 201 A N 4.216 126.623 122.820 -0.689 0.000 2.414 201 A HA 0.733 5.053 4.320 -0.000 0.000 0.286 201 A C -1.090 176.222 177.584 -0.454 0.000 1.073 201 A CA -0.293 51.440 52.037 -0.507 0.000 0.727 201 A CB 0.420 19.339 19.000 -0.134 0.000 1.215 201 A HN 0.806 nan 8.150 nan 0.000 0.430 202 F N 2.987 122.732 119.950 -0.340 0.000 2.404 202 F HA 0.308 4.835 4.527 -0.000 0.000 0.359 202 F C 0.901 176.592 175.800 -0.182 0.000 1.134 202 F CA 0.050 57.863 58.000 -0.311 0.000 1.160 202 F CB 0.832 39.442 39.000 -0.650 0.000 1.186 202 F HN 0.461 nan 8.300 nan 0.000 0.526 203 M N 3.211 122.855 119.600 0.074 0.000 2.242 203 M HA 0.340 4.820 4.480 -0.000 0.000 0.344 203 M C -0.732 175.574 176.300 0.011 0.000 1.140 203 M CA -0.277 55.003 55.300 -0.033 0.000 1.160 203 M CB 1.170 33.713 32.600 -0.095 0.000 1.491 203 M HN 0.200 nan 8.290 nan 0.000 0.459 204 V N 2.537 122.451 119.914 0.001 0.000 2.419 204 V HA 0.153 4.273 4.120 -0.000 0.000 0.287 204 V C -0.632 175.516 176.094 0.090 0.000 1.017 204 V CA -0.933 61.399 62.300 0.054 0.000 0.844 204 V CB 1.539 33.410 31.823 0.080 0.000 1.011 204 V HN 0.689 nan 8.190 nan 0.000 0.429 205 D N 3.754 124.211 120.400 0.096 0.000 2.338 205 D HA 0.096 4.736 4.640 -0.000 0.000 0.255 205 D C 1.191 177.575 176.300 0.141 0.000 1.237 205 D CA 0.490 54.607 54.000 0.194 0.000 0.883 205 D CB 0.679 41.561 40.800 0.136 0.000 1.087 205 D HN 0.540 nan 8.370 nan 0.000 0.485 206 N N 2.938 121.720 118.700 0.137 0.000 2.137 206 N HA -0.234 4.506 4.740 -0.000 0.000 0.190 206 N C 1.328 176.897 175.510 0.099 0.000 1.017 206 N CA 0.913 54.025 53.050 0.104 0.000 0.859 206 N CB 0.212 38.748 38.487 0.080 0.000 1.002 206 N HN 0.595 nan 8.380 nan 0.000 0.428 207 E N 0.890 121.126 120.200 0.060 0.000 2.049 207 E HA -0.220 4.130 4.350 -0.000 0.000 0.198 207 E C 1.904 178.555 176.600 0.086 0.000 1.007 207 E CA 1.640 58.043 56.400 0.005 0.000 0.809 207 E CB -0.173 29.533 29.700 0.010 0.000 0.749 207 E HN 0.363 nan 8.360 nan 0.000 0.450 208 A N 0.918 123.793 122.820 0.092 0.000 1.873 208 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 208 A C 2.157 179.813 177.584 0.120 0.000 1.193 208 A CA 1.931 54.023 52.037 0.091 0.000 0.629 208 A CB -0.786 18.253 19.000 0.065 0.000 0.826 208 A HN 0.382 nan 8.150 nan 0.000 0.447 209 I N -1.247 119.397 120.570 0.123 0.000 2.099 209 I HA -0.240 3.930 4.170 -0.000 0.000 0.239 209 I C 2.448 178.666 176.117 0.167 0.000 1.066 209 I CA 1.788 63.159 61.300 0.118 0.000 1.324 209 I CB -1.924 36.139 38.000 0.104 0.000 1.037 209 I HN 0.604 nan 8.210 nan 0.000 0.401 210 Y N 2.286 122.615 120.300 0.048 0.000 2.102 210 Y HA -0.318 4.232 4.550 -0.000 0.000 0.280 210 Y C 2.253 178.173 175.900 0.034 0.000 1.178 210 Y CA 1.999 60.126 58.100 0.045 0.000 1.146 210 Y CB -0.933 37.559 38.460 0.053 0.000 0.968 210 Y HN 0.227 nan 8.280 nan 0.000 0.504 211 D N 0.015 120.688 120.400 0.455 0.000 2.123 211 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 211 D C 2.071 178.443 176.300 0.120 0.000 0.992 211 D CA 1.851 56.022 54.000 0.285 0.000 0.833 211 D CB -0.296 40.621 40.800 0.195 0.000 0.954 211 D HN 0.453 nan 8.370 nan 0.000 0.455 212 I N -0.282 120.345 120.570 0.095 0.000 2.394 212 I HA -0.205 3.965 4.170 -0.000 0.000 0.251 212 I C 2.042 178.170 176.117 0.019 0.000 1.136 212 I CA 0.620 61.952 61.300 0.053 0.000 1.425 212 I CB 0.006 38.039 38.000 0.056 0.000 1.079 212 I HN 0.123 nan 8.210 nan 0.000 0.425 213 C N 0.023 119.321 119.300 -0.003 0.000 2.472 213 C HA -0.014 4.446 4.460 -0.000 0.000 0.278 213 C C 2.705 177.639 174.990 -0.093 0.000 1.447 213 C CA 0.588 59.575 59.018 -0.052 0.000 1.773 213 C CB -1.460 26.232 27.740 -0.079 0.000 1.793 213 C HN 0.414 nan 8.230 nan 0.000 0.544 214 R N -0.283 120.162 120.500 -0.092 0.000 2.142 214 R HA 0.086 4.426 4.340 -0.000 0.000 0.204 214 R C 2.413 178.693 176.300 -0.033 0.000 1.059 214 R CA 0.144 56.185 56.100 -0.097 0.000 1.055 214 R CB -0.214 30.013 30.300 -0.120 0.000 0.976 214 R HN 0.380 nan 8.270 nan 0.000 0.483 215 R N 0.871 121.369 120.500 -0.002 0.000 2.062 215 R HA -0.039 4.301 4.340 -0.000 0.000 0.231 215 R C 1.519 177.822 176.300 0.004 0.000 1.136 215 R CA 1.793 57.899 56.100 0.010 0.000 0.948 215 R CB 0.039 30.354 30.300 0.025 0.000 0.845 215 R HN 0.251 nan 8.270 nan 0.000 0.430 216 N N -0.360 118.343 118.700 0.006 0.000 2.333 216 N HA -0.074 4.666 4.740 -0.000 0.000 0.183 216 N C 1.606 177.118 175.510 0.004 0.000 1.030 216 N CA 0.558 53.614 53.050 0.009 0.000 0.867 216 N CB -0.043 38.457 38.487 0.021 0.000 1.027 216 N HN 0.081 nan 8.380 nan 0.000 0.435 217 L N 1.517 122.737 121.223 -0.004 0.000 2.291 217 L HA -0.029 4.311 4.340 -0.000 0.000 0.214 217 L C 0.210 177.071 176.870 -0.015 0.000 1.120 217 L CA 1.185 56.021 54.840 -0.007 0.000 0.799 217 L CB -1.034 41.016 42.059 -0.016 0.000 0.925 217 L HN 0.249 nan 8.230 nan 0.000 0.446 218 D N -0.994 119.391 120.400 -0.025 0.000 3.017 218 D HA -0.222 4.418 4.640 -0.000 0.000 0.220 218 D C -0.052 176.222 176.300 -0.042 0.000 1.141 218 D CA 0.338 54.321 54.000 -0.028 0.000 0.848 218 D CB -1.185 39.607 40.800 -0.013 0.000 1.102 218 D HN 0.247 nan 8.370 nan 0.000 0.427 219 I N 0.749 121.281 120.570 -0.063 0.000 2.337 219 I HA 0.098 4.268 4.170 -0.000 0.000 0.291 219 I C 1.739 177.789 176.117 -0.112 0.000 1.046 219 I CA -0.448 60.806 61.300 -0.077 0.000 1.324 219 I CB 1.160 39.112 38.000 -0.080 0.000 1.409 219 I HN 0.053 nan 8.210 nan 0.000 0.494 220 E N 4.932 125.081 120.200 -0.085 0.000 2.110 220 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 220 E C 1.172 177.699 176.600 -0.122 0.000 0.988 220 E CA 1.175 57.522 56.400 -0.088 0.000 0.804 220 E CB 0.210 29.880 29.700 -0.050 0.000 0.745 220 E HN 0.706 nan 8.360 nan 0.000 0.458 221 R N 1.748 122.181 120.500 -0.113 0.000 2.835 221 R HA 0.214 4.554 4.340 -0.000 0.000 0.290 221 R C -2.618 173.614 176.300 -0.114 0.000 1.410 221 R CA -1.216 54.822 56.100 -0.103 0.000 1.590 221 R CB -0.677 29.591 30.300 -0.054 0.000 1.288 221 R HN 0.022 nan 8.270 nan 0.000 0.637 222 P HA 0.074 nan 4.420 nan 0.000 0.262 222 P C -0.281 176.994 177.300 -0.042 0.000 1.199 222 P CA 0.527 63.550 63.100 -0.130 0.000 0.763 222 P CB 0.897 32.462 31.700 -0.225 0.000 0.790 223 T N 2.692 117.235 114.554 -0.017 0.000 2.766 223 T HA 0.067 4.417 4.350 -0.000 0.000 0.295 223 T C 1.309 176.078 174.700 0.115 0.000 1.024 223 T CA -0.167 61.931 62.100 -0.002 0.000 1.018 223 T CB 0.417 69.289 68.868 0.007 0.000 1.002 223 T HN 0.333 nan 8.240 nan 0.000 0.532 224 Y N 0.735 121.051 120.300 0.028 0.000 2.070 224 Y HA -0.248 4.302 4.550 -0.000 0.000 0.280 224 Y C 3.347 179.257 175.900 0.017 0.000 1.148 224 Y CA 1.276 59.392 58.100 0.028 0.000 1.125 224 Y CB -0.560 37.915 38.460 0.025 0.000 0.975 224 Y HN 0.829 nan 8.280 nan 0.000 0.492 225 T N -1.197 113.477 114.554 0.199 0.000 2.802 225 T HA -0.276 4.074 4.350 -0.000 0.000 0.269 225 T C 1.281 176.023 174.700 0.071 0.000 1.062 225 T CA 2.160 64.324 62.100 0.106 0.000 1.133 225 T CB -0.685 68.231 68.868 0.080 0.000 0.852 225 T HN 0.413 nan 8.240 nan 0.000 0.485 226 N N -0.634 118.108 118.700 0.070 0.000 2.207 226 N HA 0.077 4.817 4.740 -0.000 0.000 0.182 226 N C 1.618 177.153 175.510 0.042 0.000 1.020 226 N CA 0.782 53.855 53.050 0.039 0.000 0.858 226 N CB -0.116 38.382 38.487 0.019 0.000 0.991 226 N HN 0.168 nan 8.380 nan 0.000 0.427 227 L N 1.635 122.908 121.223 0.084 0.000 1.961 227 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 227 L C 1.789 178.680 176.870 0.036 0.000 1.075 227 L CA 1.489 56.378 54.840 0.082 0.000 0.749 227 L CB -1.152 40.998 42.059 0.151 0.000 0.890 227 L HN 0.217 nan 8.230 nan 0.000 0.433 228 N N -0.111 118.610 118.700 0.036 0.000 2.112 228 N HA -0.294 4.446 4.740 -0.000 0.000 0.200 228 N C 1.918 177.408 175.510 -0.033 0.000 1.011 228 N CA 1.747 54.791 53.050 -0.010 0.000 0.891 228 N CB -0.445 38.041 38.487 -0.002 0.000 1.060 228 N HN 0.309 nan 8.380 nan 0.000 0.478 229 R N -0.019 120.471 120.500 -0.017 0.000 2.112 229 R HA -0.157 4.183 4.340 -0.000 0.000 0.242 229 R C 2.079 178.331 176.300 -0.079 0.000 1.137 229 R CA 1.194 57.272 56.100 -0.037 0.000 0.944 229 R CB -0.556 29.735 30.300 -0.015 0.000 0.857 229 R HN 0.181 nan 8.270 nan 0.000 0.435 230 L N 1.040 122.219 121.223 -0.074 0.000 2.093 230 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 230 L C 1.895 178.678 176.870 -0.144 0.000 1.085 230 L CA 1.534 56.300 54.840 -0.124 0.000 0.755 230 L CB -0.417 41.597 42.059 -0.074 0.000 0.904 230 L HN 0.134 nan 8.230 nan 0.000 0.435 231 I N -0.569 119.950 120.570 -0.085 0.000 2.439 231 I HA -0.114 4.056 4.170 -0.000 0.000 0.251 231 I C 2.529 178.581 176.117 -0.110 0.000 1.139 231 I CA 1.039 62.297 61.300 -0.070 0.000 1.438 231 I CB -0.963 37.021 38.000 -0.027 0.000 1.085 231 I HN 0.315 nan 8.210 nan 0.000 0.427 232 G N 0.081 108.803 108.800 -0.131 0.000 2.505 232 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.220 232 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.220 232 G C 1.620 176.420 174.900 -0.166 0.000 1.145 232 G CA 1.055 46.054 45.100 -0.168 0.000 0.761 232 G HN 0.333 nan 8.290 nan 0.000 0.571 233 Q N -0.322 119.359 119.800 -0.198 0.000 2.049 233 Q HA 0.085 4.425 4.340 -0.000 0.000 0.198 233 Q C 2.484 178.363 176.000 -0.202 0.000 0.971 233 Q CA 0.847 56.501 55.803 -0.248 0.000 0.833 233 Q CB -0.252 28.198 28.738 -0.480 0.000 0.896 233 Q HN 0.487 nan 8.270 nan 0.000 0.434 234 I N -0.697 119.743 120.570 -0.216 0.000 2.151 234 I HA -0.332 3.838 4.170 -0.000 0.000 0.243 234 I C 2.031 178.176 176.117 0.046 0.000 1.080 234 I CA 1.006 62.281 61.300 -0.043 0.000 1.339 234 I CB -0.325 37.666 38.000 -0.013 0.000 1.039 234 I HN 0.082 nan 8.210 nan 0.000 0.409 235 V N -0.086 119.857 119.914 0.047 0.000 2.233 235 V HA -0.368 3.752 4.120 -0.000 0.000 0.247 235 V C 2.621 178.805 176.094 0.150 0.000 1.050 235 V CA 2.310 64.669 62.300 0.099 0.000 1.010 235 V CB -1.004 30.767 31.823 -0.086 0.000 0.637 235 V HN 0.640 nan 8.190 nan 0.000 0.444 236 S N -0.486 115.283 115.700 0.116 0.000 2.380 236 S HA -0.268 4.202 4.470 -0.000 0.000 0.229 236 S C 2.079 176.743 174.600 0.106 0.000 1.043 236 S CA 2.397 60.716 58.200 0.197 0.000 1.038 236 S CB -0.452 62.828 63.200 0.134 0.000 0.872 236 S HN 0.547 nan 8.310 nan 0.000 0.456 237 S N 0.375 116.128 115.700 0.089 0.000 2.428 237 S HA 0.235 4.705 4.470 -0.000 0.000 0.230 237 S C 1.625 176.264 174.600 0.064 0.000 1.014 237 S CA 0.885 59.127 58.200 0.071 0.000 0.957 237 S CB -0.309 62.979 63.200 0.147 0.000 0.784 237 S HN 0.563 nan 8.310 nan 0.000 0.499 238 I N 1.348 121.973 120.570 0.092 0.000 2.400 238 I HA -0.121 4.049 4.170 -0.000 0.000 0.248 238 I C 2.655 178.936 176.117 0.272 0.000 1.109 238 I CA 1.292 62.664 61.300 0.121 0.000 1.425 238 I CB -0.439 37.512 38.000 -0.083 0.000 1.094 238 I HN 0.364 nan 8.210 nan 0.000 0.425 239 T N -0.462 114.238 114.554 0.244 0.000 2.701 239 T HA -0.068 4.282 4.350 -0.000 0.000 0.263 239 T C 2.052 176.837 174.700 0.141 0.000 1.040 239 T CA 0.803 63.044 62.100 0.234 0.000 1.147 239 T CB -0.809 68.093 68.868 0.057 0.000 0.865 239 T HN 0.309 nan 8.240 nan 0.000 0.426 240 A N 2.958 125.811 122.820 0.056 0.000 1.771 240 A HA -0.368 3.952 4.320 -0.000 0.000 0.290 240 A C 2.614 180.282 177.584 0.140 0.000 3.024 240 A CA 4.484 56.543 52.037 0.036 0.000 0.911 240 A CB -1.972 16.946 19.000 -0.136 0.000 0.802 240 A HN 1.270 nan 8.150 nan 0.000 0.514 241 S N -0.190 115.546 115.700 0.060 0.000 2.432 241 S HA -0.262 4.208 4.470 -0.000 0.000 0.243 241 S C 1.397 176.089 174.600 0.154 0.000 1.069 241 S CA 2.415 60.656 58.200 0.068 0.000 1.047 241 S CB -0.986 62.224 63.200 0.016 0.000 0.854 241 S HN 1.280 nan 8.310 nan 0.000 0.474 242 L N -0.464 120.888 121.223 0.214 0.000 2.556 242 L HA 0.452 4.792 4.340 -0.000 0.000 0.226 242 L C 2.012 179.032 176.870 0.251 0.000 1.089 242 L CA 0.156 55.134 54.840 0.230 0.000 0.864 242 L CB -0.644 41.576 42.059 0.269 0.000 1.067 242 L HN 0.171 nan 8.230 nan 0.000 0.477 243 R N -1.477 119.177 120.500 0.256 0.000 2.300 243 R HA 0.276 4.616 4.340 -0.000 0.000 0.199 243 R C 0.992 177.345 176.300 0.088 0.000 0.920 243 R CA 0.543 56.744 56.100 0.170 0.000 1.046 243 R CB -0.214 30.068 30.300 -0.029 0.000 0.984 243 R HN 0.254 nan 8.270 nan 0.000 0.493 244 F N 1.046 121.072 119.950 0.127 0.000 2.637 244 F HA 0.102 4.629 4.527 -0.000 0.000 0.284 244 F C 0.210 176.052 175.800 0.069 0.000 1.105 244 F CA -0.171 57.895 58.000 0.111 0.000 1.356 244 F CB 0.416 39.450 39.000 0.056 0.000 1.096 244 F HN 0.016 nan 8.300 nan 0.000 0.616 245 D N 0.954 121.507 120.400 0.254 0.000 4.621 245 D HA -0.118 4.522 4.640 -0.000 0.000 0.241 245 D C -0.382 175.976 176.300 0.098 0.000 1.065 245 D CA 1.022 55.106 54.000 0.140 0.000 1.247 245 D CB -0.849 40.012 40.800 0.102 0.000 0.793 245 D HN 0.512 nan 8.370 nan 0.000 0.391 246 G N 2.202 111.026 108.800 0.040 0.000 3.948 246 G HA2 0.734 4.694 3.960 -0.000 0.000 0.300 246 G HA3 0.734 4.694 3.960 -0.000 0.000 0.300 246 G C 0.493 175.344 174.900 -0.080 0.000 1.318 246 G CA 0.754 45.822 45.100 -0.053 0.000 0.768 246 G HN 1.436 nan 8.290 nan 0.000 0.504 247 A N 1.381 124.167 122.820 -0.057 0.000 3.609 247 A HA 0.131 4.451 4.320 -0.000 0.000 0.834 247 A C 0.908 178.456 177.584 -0.059 0.000 2.031 247 A CA 0.742 52.748 52.037 -0.052 0.000 2.494 247 A CB -0.638 18.326 19.000 -0.060 0.000 1.441 247 A HN 2.341 nan 8.150 nan 0.000 0.701 248 L N -0.297 120.890 121.223 -0.060 0.000 1.758 248 L HA -0.258 4.082 4.340 -0.000 0.000 0.394 248 L C 0.683 177.474 176.870 -0.131 0.000 1.004 248 L CA 1.638 56.426 54.840 -0.086 0.000 1.166 248 L CB -1.075 40.939 42.059 -0.075 0.000 0.237 248 L HN 1.580 nan 8.230 nan 0.000 0.413 249 N N 0.876 119.440 118.700 -0.226 0.000 2.707 249 N HA -0.219 4.521 4.740 -0.000 0.000 0.253 249 N C 0.549 175.985 175.510 -0.123 0.000 0.998 249 N CA 0.554 53.372 53.050 -0.387 0.000 0.751 249 N CB -0.605 37.417 38.487 -0.775 0.000 0.920 249 N HN 0.432 nan 8.380 nan 0.000 0.539 250 V N -0.307 119.579 119.914 -0.048 0.000 3.649 250 V HA 0.030 4.150 4.120 -0.000 0.000 0.275 250 V C 0.323 176.455 176.094 0.062 0.000 1.281 250 V CA 1.420 63.736 62.300 0.026 0.000 1.143 250 V CB -0.085 31.745 31.823 0.011 0.000 0.892 250 V HN 0.612 nan 8.190 nan 0.000 0.441 251 D N -2.928 117.512 120.400 0.067 0.000 2.683 251 D HA 0.134 4.774 4.640 -0.000 0.000 0.246 251 D C 0.463 176.859 176.300 0.161 0.000 1.238 251 D CA -0.646 53.413 54.000 0.098 0.000 0.759 251 D CB 0.267 41.099 40.800 0.053 0.000 1.349 251 D HN -0.157 nan 8.370 nan 0.000 0.426 252 L N 0.508 121.834 121.223 0.172 0.000 2.072 252 L HA -0.072 4.268 4.340 -0.000 0.000 0.205 252 L C 1.857 178.850 176.870 0.205 0.000 1.079 252 L CA 1.757 56.741 54.840 0.239 0.000 0.752 252 L CB -0.871 41.263 42.059 0.124 0.000 0.906 252 L HN 0.666 nan 8.230 nan 0.000 0.436 253 T N -0.533 114.088 114.554 0.112 0.000 2.620 253 T HA -0.297 4.053 4.350 -0.000 0.000 0.267 253 T C 1.645 176.403 174.700 0.097 0.000 1.044 253 T CA 1.541 63.692 62.100 0.084 0.000 1.161 253 T CB -0.254 68.642 68.868 0.047 0.000 0.862 253 T HN 0.320 nan 8.240 nan 0.000 0.438 254 E N -0.527 119.711 120.200 0.063 0.000 2.455 254 E HA -0.090 4.260 4.350 -0.000 0.000 0.202 254 E C 1.460 178.031 176.600 -0.047 0.000 1.045 254 E CA 0.332 56.729 56.400 -0.005 0.000 0.872 254 E CB -0.102 29.565 29.700 -0.055 0.000 0.792 254 E HN 0.433 nan 8.360 nan 0.000 0.542 255 F N 1.395 121.381 119.950 0.059 0.000 2.044 255 F HA -0.181 4.346 4.527 0.000 0.000 0.287 255 F C 2.788 178.619 175.800 0.052 0.000 1.155 255 F CA 1.524 59.568 58.000 0.074 0.000 1.152 255 F CB -0.709 38.337 39.000 0.076 0.000 1.013 255 F HN 0.021 nan 8.300 nan 0.000 0.478 256 Q N -0.031 119.931 119.800 0.270 0.000 2.291 256 Q HA -0.154 4.186 4.340 -0.000 0.000 0.206 256 Q C 1.708 177.774 176.000 0.111 0.000 0.976 256 Q CA 1.947 57.834 55.803 0.139 0.000 0.875 256 Q CB -1.349 27.422 28.738 0.055 0.000 0.927 256 Q HN 0.364 nan 8.270 nan 0.000 0.450 257 T N 1.475 116.086 114.554 0.095 0.000 2.778 257 T HA -0.128 4.222 4.350 -0.000 0.000 0.269 257 T C 1.200 175.942 174.700 0.071 0.000 1.050 257 T CA 1.852 63.989 62.100 0.063 0.000 1.137 257 T CB -0.147 68.746 68.868 0.040 0.000 0.860 257 T HN 0.602 nan 8.240 nan 0.000 0.468 258 N N -0.745 118.005 118.700 0.083 0.000 2.463 258 N HA 0.267 5.007 4.740 -0.000 0.000 0.183 258 N C 1.453 177.054 175.510 0.151 0.000 1.064 258 N CA 0.174 53.282 53.050 0.096 0.000 0.879 258 N CB 0.366 38.881 38.487 0.047 0.000 1.148 258 N HN 0.219 nan 8.380 nan 0.000 0.451 259 L N 0.381 121.712 121.223 0.180 0.000 2.362 259 L HA 0.236 4.576 4.340 -0.000 0.000 0.204 259 L C 0.601 177.579 176.870 0.181 0.000 1.060 259 L CA 0.097 55.063 54.840 0.210 0.000 0.827 259 L CB 0.230 42.451 42.059 0.271 0.000 1.027 259 L HN -0.019 nan 8.230 nan 0.000 0.474 260 V N -0.676 119.325 119.914 0.145 0.000 2.370 260 V HA 0.407 4.527 4.120 -0.000 0.000 0.283 260 V C -2.025 174.138 176.094 0.115 0.000 1.023 260 V CA -1.394 60.976 62.300 0.117 0.000 0.857 260 V CB 1.479 33.375 31.823 0.121 0.000 0.985 260 V HN -0.035 nan 8.190 nan 0.000 0.443 261 P HA 0.168 nan 4.420 nan 0.000 0.245 261 P C -0.511 176.877 177.300 0.146 0.000 1.203 261 P CA 0.435 63.643 63.100 0.180 0.000 0.792 261 P CB 0.098 31.992 31.700 0.322 0.000 0.997 262 Y N 0.411 120.616 120.300 -0.158 0.000 2.345 262 Y HA 0.342 4.892 4.550 -0.000 0.000 0.331 262 Y C -1.382 174.557 175.900 0.065 0.000 0.959 262 Y CA -2.665 55.361 58.100 -0.124 0.000 1.204 262 Y CB 0.972 39.262 38.460 -0.283 0.000 1.135 262 Y HN -0.160 nan 8.280 nan 0.000 0.477 263 P HA -0.285 nan 4.420 nan 0.000 0.224 263 P C 0.679 178.040 177.300 0.101 0.000 1.154 263 P CA 1.537 64.668 63.100 0.052 0.000 0.868 263 P CB 0.244 31.933 31.700 -0.018 0.000 0.782 264 R N -0.056 120.572 120.500 0.213 0.000 5.010 264 R HA 0.007 4.347 4.340 -0.000 0.000 0.175 264 R C 1.328 177.507 176.300 -0.202 0.000 2.216 264 R CA -0.031 56.081 56.100 0.021 0.000 1.778 264 R CB -1.998 28.288 30.300 -0.024 0.000 1.310 264 R HN 0.355 nan 8.270 nan 0.000 0.814 265 I N 0.466 120.950 120.570 -0.143 0.000 5.760 265 I HA -0.410 3.760 4.170 -0.000 0.000 0.251 265 I C 0.070 175.772 176.117 -0.692 0.000 1.734 265 I CA 0.528 61.598 61.300 -0.382 0.000 1.970 265 I CB -0.586 37.170 38.000 -0.407 0.000 3.188 265 I HN 0.543 nan 8.210 nan 0.000 0.335 266 H N 0.734 119.580 119.070 -0.374 0.000 3.144 266 H HA -0.088 4.468 4.556 -0.000 0.000 0.336 266 H C -0.210 174.924 175.328 -0.323 0.000 1.065 266 H CA 1.458 57.392 56.048 -0.190 0.000 1.338 266 H CB 0.077 29.884 29.762 0.076 0.000 1.251 266 H HN 0.196 nan 8.280 nan 0.000 0.602 267 F N 2.538 122.678 119.950 0.316 0.000 2.311 267 F HA 0.273 4.800 4.527 -0.000 0.000 0.371 267 F C -1.979 173.908 175.800 0.145 0.000 1.083 267 F CA -2.473 55.625 58.000 0.163 0.000 1.113 267 F CB 0.845 39.967 39.000 0.203 0.000 1.349 267 F HN 0.235 nan 8.300 nan 0.000 0.470 268 P HA 0.073 nan 4.420 nan 0.000 0.272 268 P C -0.274 177.175 177.300 0.249 0.000 1.223 268 P CA -0.321 62.934 63.100 0.258 0.000 0.784 268 P CB 1.068 32.958 31.700 0.317 0.000 0.923 269 L N 1.892 123.236 121.223 0.202 0.000 2.305 269 L HA 0.483 4.822 4.340 -0.000 0.000 0.281 269 L C 0.178 177.133 176.870 0.141 0.000 1.085 269 L CA -0.570 54.351 54.840 0.134 0.000 0.813 269 L CB 0.699 42.823 42.059 0.109 0.000 1.157 269 L HN 0.404 nan 8.230 nan 0.000 0.436 270 A N 3.436 126.314 122.820 0.097 0.000 2.290 270 A HA 0.670 4.990 4.320 -0.000 0.000 0.310 270 A C -0.383 177.228 177.584 0.044 0.000 1.202 270 A CA -0.292 51.780 52.037 0.058 0.000 0.837 270 A CB 0.720 19.744 19.000 0.040 0.000 1.139 270 A HN 0.705 nan 8.150 nan 0.000 0.509 271 T N 2.166 116.733 114.554 0.022 0.000 2.881 271 T HA 0.448 4.798 4.350 -0.000 0.000 0.291 271 T C -1.147 173.563 174.700 0.016 0.000 0.990 271 T CA -0.125 61.977 62.100 0.003 0.000 0.976 271 T CB 0.680 69.509 68.868 -0.065 0.000 0.970 271 T HN 0.517 nan 8.240 nan 0.000 0.438 272 Y N 1.945 122.198 120.300 -0.079 0.000 2.453 272 Y HA 0.674 5.224 4.550 -0.000 0.000 0.326 272 Y C 0.903 176.741 175.900 -0.103 0.000 1.186 272 Y CA -0.552 57.493 58.100 -0.091 0.000 1.200 272 Y CB 1.057 39.482 38.460 -0.059 0.000 1.247 272 Y HN 0.741 nan 8.280 nan 0.000 0.482 273 A N 3.362 125.697 122.820 -0.808 0.000 1.909 273 A HA 0.251 4.571 4.320 -0.000 0.000 0.215 273 A C -2.079 175.364 177.584 -0.234 0.000 1.392 273 A CA 0.367 52.086 52.037 -0.531 0.000 0.599 273 A CB -1.400 17.201 19.000 -0.665 0.000 1.029 273 A HN 0.586 nan 8.150 nan 0.000 0.480 274 P HA 0.453 nan 4.420 nan 0.000 0.282 274 P C -1.377 176.010 177.300 0.146 0.000 1.468 274 P CA -0.353 62.742 63.100 -0.008 0.000 1.017 274 P CB 1.284 32.966 31.700 -0.031 0.000 1.186 275 V N 4.578 124.584 119.914 0.154 0.000 2.320 275 V HA 0.427 4.547 4.120 -0.000 0.000 0.265 275 V C 0.306 176.447 176.094 0.079 0.000 1.048 275 V CA -0.568 61.818 62.300 0.143 0.000 0.865 275 V CB 0.607 32.499 31.823 0.116 0.000 1.043 275 V HN 0.371 nan 8.190 nan 0.000 0.474 276 I N 4.474 125.089 120.570 0.074 0.000 2.545 276 I HA 0.605 4.775 4.170 -0.000 0.000 0.292 276 I C 0.493 176.646 176.117 0.060 0.000 1.040 276 I CA -0.165 61.169 61.300 0.057 0.000 1.068 276 I CB 2.501 40.533 38.000 0.053 0.000 1.251 276 I HN 0.698 nan 8.210 nan 0.000 0.424 277 S N 6.672 122.403 115.700 0.052 0.000 2.505 277 S HA 0.744 5.214 4.470 -0.000 0.000 0.276 277 S C 0.350 174.986 174.600 0.060 0.000 1.274 277 S CA -0.479 57.749 58.200 0.046 0.000 1.053 277 S CB 0.794 64.014 63.200 0.033 0.000 0.919 277 S HN 0.956 nan 8.310 nan 0.000 0.490 278 A N 2.387 125.238 122.820 0.052 0.000 2.448 278 A HA 0.422 4.742 4.320 -0.000 0.000 0.239 278 A C 1.326 178.930 177.584 0.033 0.000 1.080 278 A CA 0.461 52.531 52.037 0.055 0.000 0.779 278 A CB -0.282 18.747 19.000 0.048 0.000 1.026 278 A HN 1.562 nan 8.150 nan 0.000 0.499 279 E N -0.667 119.539 120.200 0.010 0.000 4.280 279 E HA -0.221 4.129 4.350 -0.000 0.000 0.363 279 E C 0.331 176.932 176.600 0.002 0.000 0.588 279 E CA 1.920 58.303 56.400 -0.028 0.000 1.520 279 E CB -1.443 28.248 29.700 -0.015 0.000 1.861 279 E HN 0.783 nan 8.360 nan 0.000 0.402 280 K N 0.517 120.971 120.400 0.089 0.000 2.399 280 K HA 0.448 4.768 4.320 -0.000 0.000 0.204 280 K C 1.629 178.369 176.600 0.234 0.000 1.023 280 K CA 0.438 56.874 56.287 0.249 0.000 1.127 280 K CB 0.421 33.098 32.500 0.296 0.000 0.856 280 K HN 0.338 nan 8.250 nan 0.000 0.514 281 A N 0.777 123.684 122.820 0.145 0.000 1.836 281 A HA -0.202 4.118 4.320 -0.000 0.000 0.215 281 A C 0.993 178.754 177.584 0.294 0.000 1.214 281 A CA 1.397 53.564 52.037 0.216 0.000 0.636 281 A CB -0.873 18.284 19.000 0.261 0.000 0.847 281 A HN 0.338 nan 8.150 nan 0.000 0.451 282 Y N 1.281 121.569 120.300 -0.020 0.000 2.663 282 Y HA 0.037 4.587 4.550 -0.000 0.000 0.342 282 Y C 1.330 177.205 175.900 -0.042 0.000 1.224 282 Y CA -0.172 57.910 58.100 -0.031 0.000 1.268 282 Y CB -2.021 36.405 38.460 -0.058 0.000 1.070 282 Y HN 0.487 nan 8.280 nan 0.000 0.491 283 H N -0.310 118.850 119.070 0.149 0.000 1.799 283 H HA 0.093 4.649 4.556 -0.000 0.000 0.301 283 H C 0.301 175.663 175.328 0.057 0.000 1.899 283 H CA -0.163 55.935 56.048 0.083 0.000 1.365 283 H CB 0.495 30.292 29.762 0.058 0.000 1.714 283 H HN 0.028 nan 8.280 nan 0.000 0.530 284 E N 0.239 120.572 120.200 0.222 0.000 2.313 284 E HA 0.263 4.613 4.350 -0.000 0.000 0.272 284 E C -0.391 176.251 176.600 0.070 0.000 1.038 284 E CA -0.249 56.213 56.400 0.103 0.000 0.863 284 E CB 0.979 30.721 29.700 0.069 0.000 1.060 284 E HN 0.532 nan 8.360 nan 0.000 0.402 285 Q N 2.538 122.362 119.800 0.040 0.000 2.297 285 Q HA 0.286 4.626 4.340 -0.000 0.000 0.267 285 Q C -0.347 175.662 176.000 0.016 0.000 1.006 285 Q CA -0.138 55.679 55.803 0.023 0.000 0.896 285 Q CB -0.177 28.565 28.738 0.007 0.000 1.186 285 Q HN 0.448 nan 8.270 nan 0.000 0.392 286 L N 1.769 122.998 121.223 0.011 0.000 2.464 286 L HA 0.360 4.700 4.340 -0.000 0.000 0.264 286 L C 1.059 177.930 176.870 0.003 0.000 1.199 286 L CA -0.040 54.803 54.840 0.004 0.000 0.818 286 L CB 1.433 43.489 42.059 -0.004 0.000 1.102 286 L HN 0.824 nan 8.230 nan 0.000 0.473 287 S N -0.195 115.507 115.700 0.003 0.000 2.584 287 S HA 0.246 4.716 4.470 -0.000 0.000 0.273 287 S C 1.353 175.961 174.600 0.013 0.000 1.311 287 S CA -0.966 57.237 58.200 0.005 0.000 1.034 287 S CB 1.254 64.457 63.200 0.004 0.000 0.939 287 S HN 0.361 nan 8.310 nan 0.000 0.513 288 V N 1.874 121.795 119.914 0.011 0.000 2.363 288 V HA -0.328 3.792 4.120 -0.000 0.000 0.254 288 V C 2.761 178.886 176.094 0.051 0.000 1.074 288 V CA 2.453 64.769 62.300 0.026 0.000 1.069 288 V CB -2.008 29.798 31.823 -0.028 0.000 0.659 288 V HN 1.024 nan 8.190 nan 0.000 0.455 289 A N -0.548 122.288 122.820 0.027 0.000 1.855 289 A HA -0.218 4.102 4.320 -0.000 0.000 0.215 289 A C 2.270 179.881 177.584 0.045 0.000 1.191 289 A CA 1.809 53.868 52.037 0.037 0.000 0.613 289 A CB -0.508 18.506 19.000 0.023 0.000 0.829 289 A HN 0.585 nan 8.150 nan 0.000 0.442 290 E N -0.143 120.073 120.200 0.027 0.000 2.072 290 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 290 E C 1.999 178.598 176.600 -0.002 0.000 0.985 290 E CA 1.391 57.801 56.400 0.017 0.000 0.801 290 E CB -0.391 29.313 29.700 0.007 0.000 0.750 290 E HN 0.831 nan 8.360 nan 0.000 0.452 291 I N -0.449 120.112 120.570 -0.015 0.000 2.208 291 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 291 I C 2.276 178.323 176.117 -0.117 0.000 1.097 291 I CA 1.291 62.548 61.300 -0.071 0.000 1.363 291 I CB -1.064 36.884 38.000 -0.087 0.000 1.051 291 I HN -0.076 nan 8.210 nan 0.000 0.413 292 T N 1.303 115.823 114.554 -0.056 0.000 2.635 292 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 292 T C 1.834 176.498 174.700 -0.061 0.000 1.040 292 T CA 2.045 64.094 62.100 -0.084 0.000 1.156 292 T CB -0.574 68.345 68.868 0.085 0.000 0.863 292 T HN 0.348 nan 8.240 nan 0.000 0.430 293 N N 1.081 119.807 118.700 0.042 0.000 2.430 293 N HA -0.018 4.722 4.740 -0.000 0.000 0.186 293 N C 1.733 177.277 175.510 0.056 0.000 1.032 293 N CA 1.004 54.113 53.050 0.099 0.000 0.893 293 N CB -0.301 38.235 38.487 0.082 0.000 0.957 293 N HN 0.483 nan 8.380 nan 0.000 0.442 294 A N -0.659 122.147 122.820 -0.023 0.000 1.970 294 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 294 A C 2.654 180.193 177.584 -0.075 0.000 1.170 294 A CA 0.599 52.616 52.037 -0.034 0.000 0.645 294 A CB -0.792 18.174 19.000 -0.057 0.000 0.816 294 A HN 0.426 nan 8.150 nan 0.000 0.447 295 C N -1.339 117.835 119.300 -0.210 0.000 2.413 295 C HA -0.052 4.408 4.460 -0.000 0.000 0.277 295 C C 1.100 175.885 174.990 -0.340 0.000 1.265 295 C CA 0.377 59.161 59.018 -0.389 0.000 1.752 295 C CB -1.424 25.859 27.740 -0.761 0.000 1.998 295 C HN 0.547 nan 8.230 nan 0.000 0.489 296 F N 1.066 121.042 119.950 0.043 0.000 2.509 296 F HA 0.384 4.911 4.527 -0.000 0.000 0.344 296 F C 0.189 176.026 175.800 0.062 0.000 1.197 296 F CA -0.105 57.944 58.000 0.081 0.000 1.294 296 F CB -0.071 38.986 39.000 0.096 0.000 1.643 296 F HN 0.139 nan 8.300 nan 0.000 0.596 297 E N 2.894 123.194 120.200 0.166 0.000 2.311 297 E HA 0.290 4.640 4.350 -0.000 0.000 0.281 297 E C -2.255 174.395 176.600 0.083 0.000 0.905 297 E CA -2.136 54.329 56.400 0.107 0.000 0.778 297 E CB 1.833 31.572 29.700 0.065 0.000 1.240 297 E HN -0.082 nan 8.360 nan 0.000 0.410 298 P HA -0.222 nan 4.420 nan 0.000 0.215 298 P C 0.985 178.309 177.300 0.040 0.000 1.157 298 P CA 1.967 65.096 63.100 0.048 0.000 0.874 298 P CB 0.025 31.746 31.700 0.035 0.000 0.790 299 A N -0.533 122.311 122.820 0.040 0.000 2.139 299 A HA -0.170 4.150 4.320 -0.000 0.000 0.221 299 A C 1.865 179.473 177.584 0.039 0.000 1.159 299 A CA 1.458 53.518 52.037 0.038 0.000 0.662 299 A CB -1.061 17.960 19.000 0.035 0.000 0.796 299 A HN 0.239 nan 8.150 nan 0.000 0.463 300 N N -1.011 117.711 118.700 0.036 0.000 2.291 300 N HA 0.125 4.865 4.740 -0.000 0.000 0.244 300 N C 0.433 175.964 175.510 0.035 0.000 1.216 300 N CA -0.025 53.045 53.050 0.035 0.000 0.879 300 N CB 0.505 39.002 38.487 0.017 0.000 1.167 300 N HN 0.632 nan 8.380 nan 0.000 0.515 301 Q N -0.298 119.524 119.800 0.037 0.000 2.442 301 Q HA 0.341 4.681 4.340 -0.000 0.000 0.175 301 Q C 0.923 176.946 176.000 0.038 0.000 1.096 301 Q CA 0.227 56.050 55.803 0.033 0.000 1.009 301 Q CB 0.831 29.584 28.738 0.026 0.000 2.678 301 Q HN 0.072 nan 8.270 nan 0.000 0.509 302 M N -0.452 119.164 119.600 0.027 0.000 2.309 302 M HA 0.210 4.690 4.480 -0.000 0.000 0.438 302 M C -1.559 174.745 176.300 0.008 0.000 1.004 302 M CA 0.213 55.533 55.300 0.033 0.000 1.024 302 M CB 1.773 34.400 32.600 0.045 0.000 2.095 302 M HN 0.173 nan 8.290 nan 0.000 0.701 303 V N 1.487 121.382 119.914 -0.033 0.000 2.482 303 V HA 0.282 4.402 4.120 -0.000 0.000 0.295 303 V C -0.327 175.713 176.094 -0.091 0.000 1.026 303 V CA -0.871 61.367 62.300 -0.104 0.000 0.856 303 V CB 1.947 33.631 31.823 -0.232 0.000 1.001 303 V HN 0.126 nan 8.190 nan 0.000 0.424 304 K N 4.662 125.031 120.400 -0.052 0.000 2.366 304 K HA 0.241 4.561 4.320 -0.000 0.000 0.279 304 K C -0.039 176.514 176.600 -0.078 0.000 1.098 304 K CA 0.576 56.843 56.287 -0.033 0.000 1.087 304 K CB -0.447 32.059 32.500 0.009 0.000 0.901 304 K HN 0.972 nan 8.250 nan 0.000 0.463 305 C N 1.137 120.393 119.300 -0.074 0.000 3.133 305 C HA 0.690 5.150 4.460 -0.000 0.000 0.370 305 C C -1.917 173.035 174.990 -0.064 0.000 2.940 305 C CA -0.451 58.512 59.018 -0.093 0.000 1.183 305 C CB 1.125 28.783 27.740 -0.137 0.000 3.321 305 C HN 0.878 nan 8.230 nan 0.000 0.419 306 D N 0.094 120.456 120.400 -0.063 0.000 2.878 306 D HA 0.367 5.007 4.640 -0.000 0.000 0.211 306 D C -2.950 173.333 176.300 -0.029 0.000 1.271 306 D CA -0.687 53.294 54.000 -0.032 0.000 0.845 306 D CB 1.998 42.786 40.800 -0.021 0.000 1.679 306 D HN 0.414 nan 8.370 nan 0.000 0.536 307 P HA 0.217 nan 4.420 nan 0.000 0.269 307 P C 0.847 178.052 177.300 -0.157 0.000 1.478 307 P CA 0.055 63.035 63.100 -0.199 0.000 1.045 307 P CB 0.304 31.771 31.700 -0.389 0.000 1.512 308 R N -0.424 120.056 120.500 -0.033 0.000 2.310 308 R HA 0.021 4.361 4.340 -0.000 0.000 0.202 308 R C 1.640 177.950 176.300 0.017 0.000 0.933 308 R CA 0.784 56.880 56.100 -0.007 0.000 1.054 308 R CB -1.743 28.573 30.300 0.027 0.000 0.985 308 R HN 0.439 nan 8.270 nan 0.000 0.489 309 H N -1.522 117.491 119.070 -0.095 0.000 2.501 309 H HA 0.235 4.791 4.556 -0.000 0.000 0.281 309 H C 1.037 176.298 175.328 -0.112 0.000 0.988 309 H CA 0.919 56.915 56.048 -0.087 0.000 1.232 309 H CB 0.306 30.024 29.762 -0.074 0.000 1.455 309 H HN 0.392 nan 8.280 nan 0.000 0.501 310 G N 1.042 109.683 108.800 -0.265 0.000 2.510 310 G HA2 0.384 4.344 3.960 -0.000 0.000 0.280 310 G HA3 0.384 4.344 3.960 -0.000 0.000 0.280 310 G C -0.682 174.029 174.900 -0.314 0.000 1.386 310 G CA -0.578 44.326 45.100 -0.327 0.000 1.047 310 G HN 0.252 nan 8.290 nan 0.000 0.527 311 K N -1.000 119.209 120.400 -0.319 0.000 2.328 311 K HA 0.343 4.663 4.320 -0.000 0.000 0.246 311 K C -1.631 174.708 176.600 -0.435 0.000 0.955 311 K CA -0.648 55.439 56.287 -0.333 0.000 0.817 311 K CB 2.362 34.700 32.500 -0.270 0.000 1.208 311 K HN 0.487 nan 8.250 nan 0.000 0.432 312 Y N 1.470 121.496 120.300 -0.457 0.000 2.299 312 Y HA 0.110 4.660 4.550 -0.000 0.000 0.326 312 Y C 1.425 176.783 175.900 -0.902 0.000 1.164 312 Y CA -0.197 57.472 58.100 -0.719 0.000 1.234 312 Y CB 1.146 38.960 38.460 -1.076 0.000 1.219 312 Y HN 0.537 nan 8.280 nan 0.000 0.497 313 M N 1.064 120.413 119.600 -0.419 0.000 2.260 313 M HA 0.665 5.145 4.480 -0.000 0.000 0.326 313 M C -0.349 176.029 176.300 0.130 0.000 0.930 313 M CA -0.153 55.026 55.300 -0.201 0.000 1.051 313 M CB 1.158 33.695 32.600 -0.106 0.000 1.748 313 M HN 0.391 nan 8.290 nan 0.000 0.606 314 A N 0.544 123.421 122.820 0.096 0.000 2.547 314 A HA 0.591 4.911 4.320 -0.000 0.000 0.300 314 A C -1.473 176.283 177.584 0.285 0.000 1.061 314 A CA -0.717 51.539 52.037 0.366 0.000 0.808 314 A CB 0.690 19.872 19.000 0.303 0.000 1.304 314 A HN 0.338 nan 8.150 nan 0.000 0.393 315 C N 1.120 120.640 119.300 0.367 0.000 2.411 315 C HA 0.808 5.268 4.460 -0.000 0.000 0.330 315 C C 0.099 175.338 174.990 0.415 0.000 1.224 315 C CA -0.264 58.952 59.018 0.330 0.000 1.770 315 C CB 0.617 28.548 27.740 0.319 0.000 2.297 315 C HN 0.927 nan 8.230 nan 0.000 0.507 316 C N 4.758 124.245 119.300 0.311 0.000 2.432 316 C HA 0.577 5.037 4.460 -0.000 0.000 0.334 316 C C -0.688 174.358 174.990 0.093 0.000 1.155 316 C CA -0.540 58.602 59.018 0.206 0.000 1.335 316 C CB -0.248 27.590 27.740 0.163 0.000 1.964 316 C HN 0.838 nan 8.230 nan 0.000 0.444 317 L N 5.497 126.739 121.223 0.031 0.000 2.272 317 L HA 0.518 4.858 4.340 -0.000 0.000 0.289 317 L C -0.535 176.296 176.870 -0.065 0.000 1.032 317 L CA -0.359 54.422 54.840 -0.099 0.000 0.810 317 L CB 1.188 43.182 42.059 -0.108 0.000 1.205 317 L HN 0.501 nan 8.230 nan 0.000 0.422 318 L N 4.808 125.924 121.223 -0.179 0.000 2.321 318 L HA 0.356 4.696 4.340 -0.000 0.000 0.272 318 L C -0.720 176.014 176.870 -0.227 0.000 1.050 318 L CA -0.102 54.662 54.840 -0.126 0.000 0.893 318 L CB 0.100 42.107 42.059 -0.086 0.000 1.272 318 L HN 0.348 nan 8.230 nan 0.000 0.435 319 Y N 2.341 122.566 120.300 -0.126 0.000 2.299 319 Y HA 0.495 5.045 4.550 -0.000 0.000 0.326 319 Y C 0.510 176.342 175.900 -0.114 0.000 1.164 319 Y CA -0.342 57.682 58.100 -0.126 0.000 1.234 319 Y CB 0.898 39.296 38.460 -0.103 0.000 1.219 319 Y HN 0.343 nan 8.280 nan 0.000 0.497 320 R N 1.679 122.193 120.500 0.023 0.000 2.502 320 R HA 0.604 4.944 4.340 -0.000 0.000 0.300 320 R C -0.098 176.209 176.300 0.011 0.000 0.984 320 R CA -0.176 55.910 56.100 -0.024 0.000 0.882 320 R CB 1.690 31.941 30.300 -0.082 0.000 1.180 320 R HN 0.976 nan 8.270 nan 0.000 0.444 321 G N 2.032 110.854 108.800 0.037 0.000 2.217 321 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.126 321 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.126 321 G C -1.554 173.385 174.900 0.064 0.000 1.293 321 G CA -0.675 44.450 45.100 0.040 0.000 1.219 321 G HN 0.491 nan 8.290 nan 0.000 0.477 322 D N 0.873 121.283 120.400 0.017 0.000 2.411 322 D HA 0.576 5.216 4.640 -0.000 0.000 0.225 322 D C -0.597 175.696 176.300 -0.013 0.000 1.156 322 D CA 0.127 54.115 54.000 -0.020 0.000 0.874 322 D CB 0.937 41.714 40.800 -0.038 0.000 1.034 322 D HN 0.540 nan 8.370 nan 0.000 0.502 323 V N 4.156 124.066 119.914 -0.007 0.000 2.852 323 V HA 0.235 4.355 4.120 -0.000 0.000 0.300 323 V C -0.517 175.554 176.094 -0.038 0.000 1.205 323 V CA -0.836 61.444 62.300 -0.033 0.000 0.940 323 V CB 2.331 34.130 31.823 -0.040 0.000 1.047 323 V HN 0.288 nan 8.190 nan 0.000 0.429 324 V N 6.140 126.008 119.914 -0.077 0.000 2.472 324 V HA 0.380 4.500 4.120 -0.000 0.000 0.290 324 V C -1.648 174.387 176.094 -0.097 0.000 1.037 324 V CA -1.639 60.621 62.300 -0.067 0.000 0.908 324 V CB 1.534 33.314 31.823 -0.071 0.000 0.985 324 V HN 0.698 nan 8.190 nan 0.000 0.454 325 P HA -0.184 nan 4.420 nan 0.000 0.215 325 P C 1.820 179.058 177.300 -0.105 0.000 1.157 325 P CA 1.050 64.086 63.100 -0.107 0.000 0.874 325 P CB 0.105 31.770 31.700 -0.058 0.000 0.790 326 K N 0.091 120.448 120.400 -0.071 0.000 2.148 326 K HA -0.277 4.043 4.320 -0.000 0.000 0.213 326 K C 1.304 177.861 176.600 -0.071 0.000 1.050 326 K CA 2.409 58.660 56.287 -0.060 0.000 0.932 326 K CB -0.891 31.581 32.500 -0.048 0.000 0.717 326 K HN 0.144 nan 8.250 nan 0.000 0.462 327 D N -0.006 120.338 120.400 -0.093 0.000 2.085 327 D HA -0.098 4.542 4.640 -0.000 0.000 0.199 327 D C 2.198 178.422 176.300 -0.127 0.000 0.981 327 D CA 0.872 54.815 54.000 -0.095 0.000 0.834 327 D CB -0.656 40.084 40.800 -0.101 0.000 0.992 327 D HN 0.009 nan 8.370 nan 0.000 0.457 328 V N 1.840 121.622 119.914 -0.221 0.000 2.231 328 V HA -0.339 3.781 4.120 -0.000 0.000 0.250 328 V C 2.198 178.197 176.094 -0.158 0.000 1.058 328 V CA 1.921 64.038 62.300 -0.304 0.000 1.022 328 V CB -0.631 30.881 31.823 -0.518 0.000 0.640 328 V HN 0.252 nan 8.190 nan 0.000 0.445 329 N N -0.139 118.488 118.700 -0.121 0.000 2.002 329 N HA -0.247 4.493 4.740 -0.000 0.000 0.199 329 N C 1.680 177.169 175.510 -0.036 0.000 1.060 329 N CA 1.691 54.704 53.050 -0.062 0.000 0.867 329 N CB -0.318 38.142 38.487 -0.045 0.000 1.069 329 N HN 0.491 nan 8.380 nan 0.000 0.430 330 A N 0.144 122.943 122.820 -0.036 0.000 2.259 330 A HA 0.106 4.426 4.320 -0.000 0.000 0.212 330 A C 1.872 179.451 177.584 -0.008 0.000 1.178 330 A CA 1.400 53.427 52.037 -0.018 0.000 0.734 330 A CB -0.334 18.654 19.000 -0.019 0.000 0.774 330 A HN 0.487 nan 8.150 nan 0.000 0.481 331 A N -0.357 122.455 122.820 -0.013 0.000 1.973 331 A HA 0.240 4.560 4.320 -0.000 0.000 0.210 331 A C 1.877 179.485 177.584 0.040 0.000 1.200 331 A CA 0.686 52.731 52.037 0.013 0.000 0.707 331 A CB -0.312 18.695 19.000 0.011 0.000 0.862 331 A HN 0.395 nan 8.150 nan 0.000 0.461 332 I N 0.453 121.040 120.570 0.029 0.000 2.163 332 I HA -0.327 3.843 4.170 -0.000 0.000 0.243 332 I C 2.972 179.136 176.117 0.078 0.000 1.085 332 I CA 1.098 62.436 61.300 0.063 0.000 1.347 332 I CB -0.456 37.560 38.000 0.025 0.000 1.044 332 I HN 0.351 nan 8.210 nan 0.000 0.408 333 A N 1.185 124.035 122.820 0.050 0.000 1.893 333 A HA -0.373 3.947 4.320 -0.000 0.000 0.222 333 A C 2.382 179.990 177.584 0.040 0.000 1.309 333 A CA 3.554 55.615 52.037 0.040 0.000 0.681 333 A CB -1.675 17.337 19.000 0.021 0.000 0.842 333 A HN 0.553 nan 8.150 nan 0.000 0.468 334 T N -2.161 112.415 114.554 0.036 0.000 3.035 334 T HA 0.145 4.495 4.350 -0.000 0.000 0.268 334 T C 1.882 176.607 174.700 0.043 0.000 1.109 334 T CA 1.514 63.634 62.100 0.033 0.000 1.119 334 T CB -1.003 67.881 68.868 0.028 0.000 0.900 334 T HN 0.919 nan 8.240 nan 0.000 0.503 335 I N 1.715 122.323 120.570 0.063 0.000 2.286 335 I HA 0.200 4.370 4.170 -0.000 0.000 0.248 335 I C 3.000 179.122 176.117 0.008 0.000 1.115 335 I CA 2.231 63.569 61.300 0.064 0.000 1.392 335 I CB -2.019 36.064 38.000 0.138 0.000 1.065 335 I HN 0.654 nan 8.210 nan 0.000 0.418 336 K N -0.218 120.198 120.400 0.026 0.000 2.076 336 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 336 K C 2.189 178.789 176.600 -0.000 0.000 1.051 336 K CA 1.773 58.063 56.287 0.004 0.000 0.949 336 K CB -1.734 30.781 32.500 0.025 0.000 0.726 336 K HN 0.657 nan 8.250 nan 0.000 0.443 337 T N 0.360 114.920 114.554 0.011 0.000 2.821 337 T HA 0.049 4.399 4.350 -0.000 0.000 0.267 337 T C 2.179 176.884 174.700 0.008 0.000 1.046 337 T CA 1.782 63.887 62.100 0.008 0.000 1.139 337 T CB -0.108 68.766 68.868 0.011 0.000 0.871 337 T HN 0.631 nan 8.240 nan 0.000 0.454 338 K N 0.762 121.169 120.400 0.012 0.000 2.493 338 K HA 0.682 5.002 4.320 -0.000 0.000 0.207 338 K C 0.715 177.322 176.600 0.012 0.000 1.033 338 K CA 0.249 56.545 56.287 0.015 0.000 1.161 338 K CB -0.460 32.054 32.500 0.024 0.000 0.873 338 K HN 0.624 nan 8.250 nan 0.000 0.491 339 R N -0.888 119.610 120.500 -0.004 0.000 3.132 339 R HA 0.759 5.099 4.340 -0.000 0.000 0.257 339 R C -0.068 176.219 176.300 -0.022 0.000 1.203 339 R CA 0.224 56.317 56.100 -0.013 0.000 1.008 339 R CB 0.164 30.447 30.300 -0.028 0.000 1.378 339 R HN 0.560 nan 8.270 nan 0.000 0.448 340 S N 2.135 117.821 115.700 -0.023 0.000 3.489 340 S HA 0.287 4.757 4.470 -0.000 0.000 0.227 340 S C 1.700 176.286 174.600 -0.022 0.000 1.360 340 S CA -0.252 57.939 58.200 -0.014 0.000 0.934 340 S CB -1.079 62.123 63.200 0.004 0.000 1.410 340 S HN 0.824 nan 8.310 nan 0.000 0.483 341 I N 1.903 122.452 120.570 -0.035 0.000 2.077 341 I HA -0.167 4.003 4.170 -0.000 0.000 0.231 341 I C 1.416 177.562 176.117 0.048 0.000 1.011 341 I CA 2.039 63.323 61.300 -0.026 0.000 1.304 341 I CB -2.433 35.554 38.000 -0.021 0.000 1.019 341 I HN 0.790 nan 8.210 nan 0.000 0.388 342 Q N 0.392 120.211 119.800 0.032 0.000 2.443 342 Q HA -0.230 4.110 4.340 -0.000 0.000 0.337 342 Q C -0.266 175.747 176.000 0.021 0.000 1.401 342 Q CA 1.432 57.240 55.803 0.010 0.000 0.943 342 Q CB -3.113 25.601 28.738 -0.039 0.000 1.177 342 Q HN 0.611 nan 8.270 nan 0.000 0.394 343 F N -0.635 119.279 119.950 -0.061 0.000 2.404 343 F HA 0.542 5.069 4.527 -0.000 0.000 0.345 343 F C 1.115 176.812 175.800 -0.172 0.000 1.110 343 F CA -0.253 57.691 58.000 -0.094 0.000 1.130 343 F CB 1.867 40.779 39.000 -0.146 0.000 1.129 343 F HN 0.393 nan 8.300 nan 0.000 0.500 344 V N 6.036 125.885 119.914 -0.109 0.000 2.508 344 V HA 0.064 4.184 4.120 -0.000 0.000 0.281 344 V C 0.577 176.434 176.094 -0.396 0.000 1.041 344 V CA 0.273 62.383 62.300 -0.316 0.000 1.016 344 V CB 0.556 32.062 31.823 -0.529 0.000 0.984 344 V HN 1.035 nan 8.190 nan 0.000 0.478 345 D N 4.108 124.342 120.400 -0.277 0.000 4.303 345 D HA -0.269 4.371 4.640 -0.000 0.000 0.313 345 D C 0.411 176.681 176.300 -0.051 0.000 1.204 345 D CA 3.270 57.145 54.000 -0.207 0.000 1.762 345 D CB -0.486 40.153 40.800 -0.270 0.000 0.999 345 D HN 0.878 nan 8.370 nan 0.000 0.657 346 W N -0.648 120.697 121.300 0.075 0.000 1.590 346 W HA 0.612 5.272 4.660 -0.000 0.000 0.299 346 W C -1.380 175.191 176.519 0.088 0.000 0.872 346 W CA -1.011 56.374 57.345 0.066 0.000 1.961 346 W CB -0.134 29.364 29.460 0.064 0.000 2.140 346 W HN 0.086 nan 8.180 nan 0.000 0.433 347 C N 3.012 122.473 119.300 0.268 0.000 3.178 347 C HA 0.221 4.681 4.460 -0.000 0.000 0.428 347 C C -0.561 174.391 174.990 -0.064 0.000 0.967 347 C CA -0.841 58.318 59.018 0.235 0.000 1.205 347 C CB 1.436 29.384 27.740 0.346 0.000 1.584 347 C HN 0.314 nan 8.230 nan 0.000 0.591 348 P HA -0.116 nan 4.420 nan 0.000 0.222 348 P C 0.137 177.098 177.300 -0.565 0.000 0.846 348 P CA 2.524 65.456 63.100 -0.280 0.000 1.068 348 P CB -0.006 31.542 31.700 -0.253 0.000 0.669 349 T N -3.826 110.166 114.554 -0.937 0.000 4.617 349 T HA 0.419 4.769 4.350 -0.000 0.000 0.204 349 T C 0.660 174.538 174.700 -1.370 0.000 0.898 349 T CA -0.211 60.959 62.100 -1.551 0.000 1.387 349 T CB -0.257 68.200 68.868 -0.686 0.000 0.765 349 T HN 0.526 nan 8.240 nan 0.000 0.563 350 G N 2.129 110.125 108.800 -1.341 0.000 2.664 350 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.595 350 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.595 350 G C 0.204 175.049 174.900 -0.091 0.000 1.190 350 G CA 0.787 45.651 45.100 -0.394 0.000 0.891 350 G HN 1.175 nan 8.290 nan 0.000 0.663 351 F N -1.065 118.911 119.950 0.044 0.000 2.388 351 F HA -0.129 4.398 4.527 -0.000 0.000 0.436 351 F C 0.653 176.472 175.800 0.033 0.000 1.174 351 F CA 0.257 58.288 58.000 0.051 0.000 1.408 351 F CB -0.695 38.325 39.000 0.032 0.000 2.118 351 F HN 0.258 nan 8.300 nan 0.000 0.768 352 K N 2.542 123.085 120.400 0.238 0.000 2.264 352 K HA 0.517 4.837 4.320 -0.000 0.000 0.277 352 K C -0.330 176.324 176.600 0.091 0.000 1.067 352 K CA -0.416 55.944 56.287 0.122 0.000 0.900 352 K CB 1.925 34.477 32.500 0.086 0.000 1.124 352 K HN 0.108 nan 8.250 nan 0.000 0.469 353 V N 2.487 122.433 119.914 0.055 0.000 2.347 353 V HA 0.392 4.512 4.120 -0.000 0.000 0.280 353 V C 0.409 176.512 176.094 0.015 0.000 1.021 353 V CA -0.766 61.557 62.300 0.039 0.000 0.847 353 V CB 1.597 33.421 31.823 0.003 0.000 0.990 353 V HN 0.851 nan 8.190 nan 0.000 0.444 354 G N 5.216 114.031 108.800 0.025 0.000 2.470 354 G HA2 0.736 4.696 3.960 -0.000 0.000 0.320 354 G HA3 0.736 4.696 3.960 -0.000 0.000 0.320 354 G C -0.933 173.968 174.900 0.001 0.000 1.245 354 G CA -0.510 44.579 45.100 -0.018 0.000 0.935 354 G HN 0.608 nan 8.290 nan 0.000 0.476 355 I N 1.679 122.208 120.570 -0.067 0.000 2.378 355 I HA 0.242 4.412 4.170 -0.000 0.000 0.291 355 I C -0.373 175.604 176.117 -0.234 0.000 0.992 355 I CA -0.702 60.556 61.300 -0.071 0.000 1.154 355 I CB 2.096 40.079 38.000 -0.029 0.000 1.315 355 I HN 0.400 nan 8.210 nan 0.000 0.448 356 N N 4.473 123.070 118.700 -0.172 0.000 2.511 356 N HA 0.287 5.027 4.740 -0.000 0.000 0.249 356 N C 0.363 175.797 175.510 -0.127 0.000 0.971 356 N CA -0.468 52.428 53.050 -0.256 0.000 0.938 356 N CB 0.669 38.984 38.487 -0.286 0.000 1.131 356 N HN 0.468 nan 8.380 nan 0.000 0.505 357 Y N 0.789 121.041 120.300 -0.079 0.000 2.651 357 Y HA -0.174 4.376 4.550 -0.000 0.000 0.296 357 Y C 1.098 176.958 175.900 -0.067 0.000 1.150 357 Y CA -0.146 57.921 58.100 -0.055 0.000 1.348 357 Y CB 0.134 38.581 38.460 -0.022 0.000 0.983 357 Y HN 0.566 nan 8.280 nan 0.000 0.555 358 Q N 2.519 122.319 119.800 0.000 0.000 2.286 358 Q HA 0.153 4.493 4.340 -0.000 0.000 0.265 358 Q C -2.700 173.262 176.000 -0.064 0.000 1.080 358 Q CA -1.997 53.777 55.803 -0.049 0.000 0.906 358 Q CB 0.684 29.294 28.738 -0.214 0.000 1.227 358 Q HN -0.038 nan 8.270 nan 0.000 0.409 359 P HA 0.031 nan 4.420 nan 0.000 0.265 359 P C -2.525 174.769 177.300 -0.010 0.000 1.193 359 P CA -0.799 62.298 63.100 -0.005 0.000 0.765 359 P CB 0.213 31.917 31.700 0.007 0.000 0.823 360 P HA 0.076 nan 4.420 nan 0.000 0.280 360 P C -0.463 176.856 177.300 0.031 0.000 1.386 360 P CA -0.198 62.910 63.100 0.013 0.000 0.899 360 P CB -0.124 31.602 31.700 0.044 0.000 1.098 361 T N 0.742 115.312 114.554 0.026 0.000 2.884 361 T HA 0.408 4.758 4.350 -0.000 0.000 0.298 361 T C 0.510 175.231 174.700 0.035 0.000 0.998 361 T CA -0.612 61.508 62.100 0.032 0.000 1.124 361 T CB 1.008 69.896 68.868 0.033 0.000 0.931 361 T HN 0.307 nan 8.240 nan 0.000 0.531 362 V N 1.425 121.361 119.914 0.037 0.000 2.769 362 V HA 0.714 4.834 4.120 -0.000 0.000 0.312 362 V C 0.005 176.122 176.094 0.039 0.000 1.061 362 V CA -1.310 61.008 62.300 0.031 0.000 0.931 362 V CB 1.638 33.479 31.823 0.031 0.000 1.010 362 V HN 0.954 nan 8.190 nan 0.000 0.433 363 V N 3.626 123.562 119.914 0.037 0.000 2.814 363 V HA 0.149 4.269 4.120 -0.000 0.000 0.307 363 V C -1.205 174.918 176.094 0.048 0.000 1.089 363 V CA -0.099 62.232 62.300 0.051 0.000 1.212 363 V CB 0.031 31.883 31.823 0.048 0.000 0.912 363 V HN 0.941 nan 8.190 nan 0.000 0.497 364 P HA 0.076 nan 4.420 nan 0.000 0.216 364 P C 1.383 178.706 177.300 0.037 0.000 1.156 364 P CA 1.374 64.501 63.100 0.046 0.000 0.855 364 P CB 0.106 31.834 31.700 0.047 0.000 0.786 365 G N -0.460 108.360 108.800 0.034 0.000 3.026 365 G HA2 0.200 4.160 3.960 -0.000 0.000 0.208 365 G HA3 0.200 4.160 3.960 -0.000 0.000 0.208 365 G C 0.887 175.801 174.900 0.023 0.000 1.169 365 G CA 0.195 45.310 45.100 0.025 0.000 0.788 365 G HN 0.415 nan 8.290 nan 0.000 0.533 366 G N 0.312 109.129 108.800 0.028 0.000 2.661 366 G HA2 0.259 4.219 3.960 -0.000 0.000 0.272 366 G HA3 0.259 4.219 3.960 -0.000 0.000 0.272 366 G C 0.303 175.214 174.900 0.018 0.000 1.296 366 G CA 0.313 45.426 45.100 0.022 0.000 0.998 366 G HN 0.265 nan 8.290 nan 0.000 0.553 367 D N -1.269 119.139 120.400 0.013 0.000 2.380 367 D HA 0.117 4.757 4.640 -0.000 0.000 0.212 367 D C 0.732 177.044 176.300 0.019 0.000 1.021 367 D CA -0.077 53.930 54.000 0.012 0.000 0.884 367 D CB 0.062 40.863 40.800 0.003 0.000 1.001 367 D HN 0.255 nan 8.370 nan 0.000 0.506 368 L N 0.341 121.576 121.223 0.020 0.000 2.454 368 L HA 0.670 5.010 4.340 -0.000 0.000 0.256 368 L C 0.230 177.127 176.870 0.046 0.000 1.136 368 L CA -1.125 53.735 54.840 0.033 0.000 0.804 368 L CB 0.461 42.534 42.059 0.023 0.000 1.181 368 L HN -0.144 nan 8.230 nan 0.000 0.469 369 A N 0.071 122.929 122.820 0.062 0.000 2.330 369 A HA 0.656 4.976 4.320 -0.000 0.000 0.329 369 A C -0.679 176.947 177.584 0.070 0.000 1.135 369 A CA -0.941 51.139 52.037 0.073 0.000 0.817 369 A CB 0.723 19.780 19.000 0.094 0.000 1.269 369 A HN 0.767 nan 8.150 nan 0.000 0.469 370 K N 0.403 120.843 120.400 0.066 0.000 2.511 370 K HA 0.300 4.620 4.320 -0.000 0.000 0.280 370 K C -0.340 176.290 176.600 0.050 0.000 1.008 370 K CA -0.047 56.271 56.287 0.052 0.000 1.050 370 K CB -0.163 32.361 32.500 0.040 0.000 0.889 370 K HN 0.302 nan 8.250 nan 0.000 0.484 371 V N 1.357 121.299 119.914 0.046 0.000 3.204 371 V HA 0.147 4.267 4.120 -0.000 0.000 0.316 371 V C 0.931 177.037 176.094 0.019 0.000 1.160 371 V CA -1.060 61.263 62.300 0.038 0.000 1.044 371 V CB 1.654 33.505 31.823 0.047 0.000 1.136 371 V HN 0.785 nan 8.190 nan 0.000 0.455 372 Q N 0.631 120.438 119.800 0.011 0.000 2.204 372 Q HA 0.173 4.513 4.340 -0.000 0.000 0.198 372 Q C 0.278 176.280 176.000 0.003 0.000 0.946 372 Q CA 0.928 56.732 55.803 0.001 0.000 0.859 372 Q CB 0.378 29.114 28.738 -0.003 0.000 0.946 372 Q HN 0.821 nan 8.270 nan 0.000 0.474 373 R N -1.432 119.069 120.500 0.001 0.000 2.633 373 R HA 0.761 5.101 4.340 -0.000 0.000 0.255 373 R C -1.620 174.654 176.300 -0.043 0.000 1.106 373 R CA -0.479 55.621 56.100 0.000 0.000 0.959 373 R CB 0.937 31.251 30.300 0.024 0.000 1.259 373 R HN -0.043 nan 8.270 nan 0.000 0.453 374 A N 2.450 125.213 122.820 -0.094 0.000 2.449 374 A HA 0.712 5.032 4.320 -0.000 0.000 0.302 374 A C -0.584 176.774 177.584 -0.376 0.000 1.048 374 A CA -0.751 51.123 52.037 -0.271 0.000 0.708 374 A CB 2.019 20.828 19.000 -0.318 0.000 1.274 374 A HN 0.438 nan 8.150 nan 0.000 0.410 375 V N -0.156 119.421 119.914 -0.561 0.000 3.109 375 V HA 0.491 4.611 4.120 -0.000 0.000 0.317 375 V C 0.800 176.517 176.094 -0.629 0.000 1.074 375 V CA -0.298 61.563 62.300 -0.730 0.000 1.033 375 V CB 1.397 32.721 31.823 -0.833 0.000 1.111 375 V HN 1.158 nan 8.190 nan 0.000 0.458 376 C N 0.617 119.614 119.300 -0.505 0.000 3.264 376 C HA 0.472 4.932 4.460 -0.000 0.000 0.555 376 C C 0.658 175.523 174.990 -0.208 0.000 1.349 376 C CA 0.334 59.180 59.018 -0.287 0.000 2.522 376 C CB -0.257 27.390 27.740 -0.155 0.000 3.588 376 C HN 1.025 nan 8.230 nan 0.000 0.547 377 M N 1.161 120.622 119.600 -0.232 0.000 3.948 377 M HA -0.150 4.330 4.480 -0.000 0.000 0.158 377 M C -1.778 174.515 176.300 -0.013 0.000 1.516 377 M CA 0.619 55.827 55.300 -0.154 0.000 1.066 377 M CB -0.688 31.750 32.600 -0.271 0.000 1.338 377 M HN 0.317 nan 8.290 nan 0.000 0.295 378 L N 5.256 126.520 121.223 0.068 0.000 2.283 378 L HA 0.614 4.954 4.340 -0.000 0.000 0.281 378 L C -0.015 176.993 176.870 0.229 0.000 1.033 378 L CA -0.408 54.531 54.840 0.164 0.000 0.848 378 L CB 1.253 43.442 42.059 0.217 0.000 1.226 378 L HN 0.798 nan 8.230 nan 0.000 0.429 379 S N 1.586 117.436 115.700 0.250 0.000 2.519 379 S HA 0.333 4.803 4.470 -0.000 0.000 0.309 379 S C -0.564 174.210 174.600 0.290 0.000 1.100 379 S CA -0.885 57.498 58.200 0.305 0.000 1.059 379 S CB 1.970 65.437 63.200 0.445 0.000 1.008 379 S HN 0.599 nan 8.310 nan 0.000 0.478 380 N N 2.038 120.897 118.700 0.264 0.000 2.469 380 N HA 0.248 4.988 4.740 -0.000 0.000 0.239 380 N C -0.812 174.791 175.510 0.156 0.000 1.053 380 N CA 0.030 53.218 53.050 0.231 0.000 0.937 380 N CB 0.665 39.290 38.487 0.230 0.000 1.163 380 N HN 0.664 nan 8.380 nan 0.000 0.509 381 T N 0.625 115.230 114.554 0.084 0.000 2.918 381 T HA 0.140 4.490 4.350 -0.000 0.000 0.286 381 T C 1.624 176.297 174.700 -0.046 0.000 1.026 381 T CA -0.535 61.500 62.100 -0.109 0.000 1.031 381 T CB 1.430 70.102 68.868 -0.325 0.000 1.046 381 T HN 0.553 nan 8.240 nan 0.000 0.479 382 T N 1.083 115.587 114.554 -0.084 0.000 3.055 382 T HA 0.130 4.480 4.350 -0.000 0.000 0.265 382 T C 1.921 176.508 174.700 -0.188 0.000 1.111 382 T CA 0.873 62.960 62.100 -0.022 0.000 1.118 382 T CB -0.324 68.546 68.868 0.005 0.000 0.909 382 T HN 0.596 nan 8.240 nan 0.000 0.501 383 A N 1.140 123.839 122.820 -0.201 0.000 2.167 383 A HA 0.333 4.653 4.320 -0.000 0.000 0.214 383 A C 2.175 179.616 177.584 -0.239 0.000 1.151 383 A CA 0.185 52.127 52.037 -0.159 0.000 0.735 383 A CB -0.680 18.259 19.000 -0.101 0.000 0.802 383 A HN 0.528 nan 8.150 nan 0.000 0.467 384 I N -0.028 120.351 120.570 -0.318 0.000 2.850 384 I HA -0.194 3.976 4.170 -0.000 0.000 0.266 384 I C 2.066 177.809 176.117 -0.624 0.000 1.257 384 I CA 1.330 62.382 61.300 -0.413 0.000 1.465 384 I CB -0.541 37.284 38.000 -0.293 0.000 1.091 384 I HN 0.349 nan 8.210 nan 0.000 0.467 385 A N -0.529 121.954 122.820 -0.562 0.000 2.278 385 A HA -0.037 4.283 4.320 -0.000 0.000 0.212 385 A C 1.929 179.439 177.584 -0.124 0.000 1.213 385 A CA 0.137 51.990 52.037 -0.307 0.000 0.840 385 A CB -0.383 18.475 19.000 -0.237 0.000 0.866 385 A HN 0.431 nan 8.150 nan 0.000 0.489 386 E N -0.383 119.709 120.200 -0.180 0.000 2.285 386 E HA 0.041 4.391 4.350 -0.000 0.000 0.194 386 E C 2.073 178.592 176.600 -0.134 0.000 0.997 386 E CA 0.677 57.011 56.400 -0.110 0.000 0.845 386 E CB -0.012 29.619 29.700 -0.115 0.000 0.782 386 E HN 0.652 nan 8.360 nan 0.000 0.491 387 A N 0.217 122.862 122.820 -0.292 0.000 1.874 387 A HA -0.123 4.197 4.320 -0.000 0.000 0.214 387 A C 1.701 179.167 177.584 -0.196 0.000 1.189 387 A CA 0.633 52.429 52.037 -0.400 0.000 0.615 387 A CB -1.042 17.416 19.000 -0.903 0.000 0.830 387 A HN 0.427 nan 8.150 nan 0.000 0.443 388 W N -0.132 121.027 121.300 -0.235 0.000 2.290 388 W HA -0.312 4.348 4.660 -0.000 0.000 0.311 388 W C 2.657 179.122 176.519 -0.091 0.000 1.238 388 W CA 1.113 58.349 57.345 -0.181 0.000 1.255 388 W CB -0.002 29.330 29.460 -0.213 0.000 1.145 388 W HN 0.457 nan 8.180 nan 0.000 0.506 389 A N -0.078 122.858 122.820 0.194 0.000 1.935 389 A HA -0.078 4.242 4.320 -0.000 0.000 0.214 389 A C 1.811 179.480 177.584 0.142 0.000 1.178 389 A CA 1.133 53.248 52.037 0.130 0.000 0.640 389 A CB -0.628 18.421 19.000 0.081 0.000 0.825 389 A HN 0.235 nan 8.150 nan 0.000 0.447 390 R N -1.024 119.555 120.500 0.132 0.000 2.120 390 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 390 R C 1.903 178.321 176.300 0.198 0.000 1.123 390 R CA 1.089 57.279 56.100 0.151 0.000 0.975 390 R CB -0.419 29.958 30.300 0.128 0.000 0.866 390 R HN 0.403 nan 8.270 nan 0.000 0.446 391 L N 1.355 122.717 121.223 0.233 0.000 1.955 391 L HA -0.225 4.115 4.340 -0.000 0.000 0.213 391 L C 1.526 178.507 176.870 0.185 0.000 1.072 391 L CA 1.949 56.907 54.840 0.197 0.000 0.755 391 L CB -0.710 41.486 42.059 0.228 0.000 0.888 391 L HN 0.137 nan 8.230 nan 0.000 0.432 392 D N -1.644 118.844 120.400 0.147 0.000 2.133 392 D HA -0.284 4.356 4.640 -0.000 0.000 0.192 392 D C 2.105 178.527 176.300 0.202 0.000 1.001 392 D CA 1.658 55.716 54.000 0.097 0.000 0.844 392 D CB -0.431 40.384 40.800 0.024 0.000 0.944 392 D HN 0.521 nan 8.370 nan 0.000 0.447 393 H N 1.222 120.369 119.070 0.127 0.000 2.267 393 H HA -0.111 4.445 4.556 -0.000 0.000 0.297 393 H C 2.022 177.450 175.328 0.166 0.000 1.080 393 H CA 1.946 58.072 56.048 0.130 0.000 1.278 393 H CB 0.165 29.979 29.762 0.088 0.000 1.365 393 H HN -0.020 nan 8.280 nan 0.000 0.489 394 K N -0.065 120.421 120.400 0.144 0.000 2.032 394 K HA -0.232 4.088 4.320 -0.000 0.000 0.218 394 K C 2.261 178.926 176.600 0.109 0.000 1.054 394 K CA 2.182 58.518 56.287 0.080 0.000 0.941 394 K CB -0.626 31.942 32.500 0.113 0.000 0.720 394 K HN 0.219 nan 8.250 nan 0.000 0.449 395 F N 2.007 121.999 119.950 0.071 0.000 2.025 395 F HA -0.365 4.162 4.527 0.000 0.000 0.297 395 F C 1.882 177.773 175.800 0.152 0.000 1.132 395 F CA 1.897 60.004 58.000 0.179 0.000 1.191 395 F CB -0.311 38.778 39.000 0.147 0.000 0.963 395 F HN 0.103 nan 8.300 nan 0.000 0.481 396 D N 0.654 121.360 120.400 0.511 0.000 2.200 396 D HA -0.278 4.362 4.640 -0.000 0.000 0.192 396 D C 2.132 178.509 176.300 0.129 0.000 1.008 396 D CA 2.121 56.322 54.000 0.334 0.000 0.872 396 D CB -0.692 40.207 40.800 0.165 0.000 0.923 396 D HN 0.543 nan 8.370 nan 0.000 0.447 397 L N -1.990 119.219 121.223 -0.022 0.000 2.375 397 L HA 0.112 4.452 4.340 -0.000 0.000 0.215 397 L C 2.102 178.959 176.870 -0.023 0.000 1.108 397 L CA 0.486 55.277 54.840 -0.081 0.000 0.830 397 L CB -0.052 41.850 42.059 -0.261 0.000 0.959 397 L HN -0.060 nan 8.230 nan 0.000 0.457 398 M N -0.839 118.767 119.600 0.010 0.000 2.115 398 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 398 M C 2.207 178.544 176.300 0.061 0.000 1.079 398 M CA 1.708 57.036 55.300 0.047 0.000 1.143 398 M CB -0.403 32.223 32.600 0.044 0.000 1.332 398 M HN 0.299 nan 8.290 nan 0.000 0.421 399 Y N 1.099 121.327 120.300 -0.119 0.000 2.465 399 Y HA -0.204 4.346 4.550 -0.000 0.000 0.289 399 Y C 2.156 177.979 175.900 -0.127 0.000 1.150 399 Y CA 1.150 59.105 58.100 -0.242 0.000 1.293 399 Y CB -0.430 37.719 38.460 -0.518 0.000 0.977 399 Y HN 0.270 nan 8.280 nan 0.000 0.556 400 A N -0.321 122.482 122.820 -0.029 0.000 2.032 400 A HA -0.213 4.107 4.320 -0.000 0.000 0.221 400 A C 1.931 179.424 177.584 -0.152 0.000 1.165 400 A CA 2.007 54.006 52.037 -0.064 0.000 0.645 400 A CB -0.350 18.642 19.000 -0.014 0.000 0.807 400 A HN 0.464 nan 8.150 nan 0.000 0.453 401 K N -2.437 117.860 120.400 -0.172 0.000 2.469 401 K HA 0.208 4.528 4.320 -0.000 0.000 0.204 401 K C 0.197 176.663 176.600 -0.223 0.000 1.047 401 K CA -0.351 55.834 56.287 -0.171 0.000 1.072 401 K CB 0.747 33.180 32.500 -0.112 0.000 0.863 401 K HN 0.143 nan 8.250 nan 0.000 0.530 402 R N -1.225 119.064 120.500 -0.352 0.000 4.023 402 R HA -0.307 4.033 4.340 -0.000 0.000 0.368 402 R C 1.028 177.247 176.300 -0.135 0.000 1.187 402 R CA 0.961 56.840 56.100 -0.367 0.000 1.089 402 R CB -2.764 27.345 30.300 -0.319 0.000 1.574 402 R HN 0.433 nan 8.270 nan 0.000 0.564 403 A N -0.106 122.665 122.820 -0.082 0.000 2.259 403 A HA -0.333 3.987 4.320 -0.000 0.000 0.287 403 A C 1.478 179.002 177.584 -0.100 0.000 3.655 403 A CA 2.672 54.678 52.037 -0.051 0.000 1.024 403 A CB -1.431 17.678 19.000 0.183 0.000 0.527 403 A HN 0.328 nan 8.150 nan 0.000 0.443 404 F N -2.323 117.788 119.950 0.270 0.000 2.682 404 F HA 0.278 4.805 4.527 -0.000 0.000 0.308 404 F C 1.846 177.926 175.800 0.466 0.000 1.093 404 F CA 0.296 58.555 58.000 0.432 0.000 1.244 404 F CB 0.264 39.520 39.000 0.427 0.000 1.052 404 F HN 0.179 nan 8.300 nan 0.000 0.573 405 V N 2.212 122.354 119.914 0.380 0.000 2.280 405 V HA -0.438 3.682 4.120 -0.000 0.000 0.258 405 V C 2.974 179.245 176.094 0.296 0.000 1.081 405 V CA 2.935 65.272 62.300 0.063 0.000 1.070 405 V CB -0.525 31.145 31.823 -0.256 0.000 0.666 405 V HN 0.616 nan 8.190 nan 0.000 0.450 406 H N -2.554 116.588 119.070 0.120 0.000 2.353 406 H HA -0.272 4.284 4.556 -0.000 0.000 0.298 406 H C 2.073 177.491 175.328 0.149 0.000 1.103 406 H CA 2.159 58.222 56.048 0.025 0.000 1.293 406 H CB -1.351 28.297 29.762 -0.189 0.000 1.372 406 H HN 0.654 nan 8.280 nan 0.000 0.501 407 W N 0.767 121.823 121.300 -0.406 0.000 2.389 407 W HA -0.157 4.503 4.660 -0.000 0.000 0.267 407 W C 1.647 178.168 176.519 0.002 0.000 1.219 407 W CA 0.928 58.137 57.345 -0.227 0.000 1.189 407 W CB -0.283 29.046 29.460 -0.219 0.000 1.129 407 W HN 0.194 nan 8.180 nan 0.000 0.581 408 Y N -1.577 118.925 120.300 0.337 0.000 2.343 408 Y HA -0.055 4.495 4.550 -0.000 0.000 0.294 408 Y C 2.236 178.309 175.900 0.288 0.000 1.122 408 Y CA 0.541 58.866 58.100 0.376 0.000 1.173 408 Y CB -1.142 37.643 38.460 0.543 0.000 1.077 408 Y HN -0.310 nan 8.280 nan 0.000 0.542 409 V N -0.117 120.042 119.914 0.408 0.000 2.688 409 V HA -0.216 3.904 4.120 -0.000 0.000 0.256 409 V C 2.308 178.509 176.094 0.179 0.000 1.084 409 V CA 1.841 64.289 62.300 0.247 0.000 1.103 409 V CB -1.469 30.460 31.823 0.178 0.000 0.688 409 V HN 0.559 nan 8.190 nan 0.000 0.480 410 G N -0.457 108.458 108.800 0.191 0.000 2.408 410 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.215 410 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.215 410 G C 1.471 176.461 174.900 0.150 0.000 1.156 410 G CA 0.231 45.418 45.100 0.145 0.000 0.793 410 G HN 0.466 nan 8.290 nan 0.000 0.535 411 E N 0.207 120.517 120.200 0.184 0.000 2.208 411 E HA 0.093 4.443 4.350 -0.000 0.000 0.193 411 E C 1.761 178.434 176.600 0.121 0.000 0.988 411 E CA 0.918 57.414 56.400 0.161 0.000 0.828 411 E CB 0.089 29.906 29.700 0.194 0.000 0.763 411 E HN 0.475 nan 8.360 nan 0.000 0.478 412 G N 0.662 109.533 108.800 0.119 0.000 2.215 412 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.187 412 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.187 412 G C 0.093 174.973 174.900 -0.033 0.000 1.039 412 G CA 0.020 45.137 45.100 0.029 0.000 0.771 412 G HN 0.076 nan 8.290 nan 0.000 0.507 413 M N 0.160 119.820 119.600 0.100 0.000 2.114 413 M HA 0.600 5.080 4.480 -0.000 0.000 0.293 413 M C 0.639 177.027 176.300 0.146 0.000 1.201 413 M CA -0.171 55.210 55.300 0.134 0.000 1.107 413 M CB 0.649 33.493 32.600 0.406 0.000 1.405 413 M HN 0.156 nan 8.290 nan 0.000 0.486 414 E N 0.332 120.631 120.200 0.165 0.000 2.266 414 E HA 0.052 4.402 4.350 -0.000 0.000 0.277 414 E C 0.306 177.046 176.600 0.232 0.000 1.018 414 E CA -0.010 56.485 56.400 0.158 0.000 0.840 414 E CB 1.000 30.772 29.700 0.120 0.000 1.082 414 E HN 0.532 nan 8.360 nan 0.000 0.395 415 E N 2.312 122.627 120.200 0.193 0.000 2.118 415 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 415 E C 1.327 178.086 176.600 0.265 0.000 0.992 415 E CA 1.291 57.819 56.400 0.214 0.000 0.804 415 E CB 0.022 29.793 29.700 0.119 0.000 0.741 415 E HN 0.751 nan 8.360 nan 0.000 0.458 416 G N 0.250 109.159 108.800 0.181 0.000 2.920 416 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.208 416 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.208 416 G C 1.202 176.163 174.900 0.102 0.000 1.159 416 G CA -0.123 45.059 45.100 0.138 0.000 0.784 416 G HN 0.202 nan 8.290 nan 0.000 0.535 417 E N -0.677 119.602 120.200 0.131 0.000 2.299 417 E HA 0.041 4.391 4.350 -0.000 0.000 0.193 417 E C 1.471 178.027 176.600 -0.074 0.000 0.998 417 E CA -0.049 56.387 56.400 0.060 0.000 0.851 417 E CB -0.024 29.747 29.700 0.119 0.000 0.795 417 E HN 0.483 nan 8.360 nan 0.000 0.492 418 F N -0.006 119.876 119.950 -0.113 0.000 2.163 418 F HA -0.134 4.393 4.527 -0.000 0.000 0.297 418 F C 2.719 178.291 175.800 -0.380 0.000 1.094 418 F CA 0.957 58.782 58.000 -0.291 0.000 1.290 418 F CB -0.140 38.624 39.000 -0.394 0.000 1.017 418 F HN -0.027 nan 8.300 nan 0.000 0.483 419 S N -0.445 115.219 115.700 -0.060 0.000 2.343 419 S HA -0.235 4.235 4.470 -0.000 0.000 0.219 419 S C 2.047 176.546 174.600 -0.168 0.000 1.033 419 S CA 1.343 59.492 58.200 -0.085 0.000 1.014 419 S CB -0.423 62.803 63.200 0.043 0.000 0.915 419 S HN 0.439 nan 8.310 nan 0.000 0.435 420 E N 0.308 120.418 120.200 -0.150 0.000 2.472 420 E HA -0.042 4.308 4.350 -0.000 0.000 0.200 420 E C 1.453 177.723 176.600 -0.551 0.000 1.046 420 E CA 0.753 57.027 56.400 -0.210 0.000 0.871 420 E CB -0.051 29.609 29.700 -0.066 0.000 0.806 420 E HN 0.493 nan 8.360 nan 0.000 0.533 421 A N 0.672 123.111 122.820 -0.635 0.000 1.963 421 A HA 0.074 4.394 4.320 -0.000 0.000 0.207 421 A C 2.108 179.261 177.584 -0.717 0.000 1.243 421 A CA 0.470 51.913 52.037 -0.989 0.000 0.728 421 A CB -0.156 18.449 19.000 -0.658 0.000 0.895 421 A HN 0.095 nan 8.150 nan 0.000 0.467 422 R N 0.856 120.984 120.500 -0.619 0.000 2.094 422 R HA -0.138 4.202 4.340 -0.000 0.000 0.239 422 R C 1.824 177.873 176.300 -0.418 0.000 1.137 422 R CA 2.076 57.810 56.100 -0.610 0.000 0.943 422 R CB -0.613 29.369 30.300 -0.530 0.000 0.850 422 R HN 0.521 nan 8.270 nan 0.000 0.433 423 E N 0.228 120.229 120.200 -0.332 0.000 2.253 423 E HA -0.239 4.111 4.350 -0.000 0.000 0.202 423 E C 1.388 177.838 176.600 -0.250 0.000 1.014 423 E CA 1.581 57.838 56.400 -0.238 0.000 0.823 423 E CB -0.220 29.365 29.700 -0.192 0.000 0.736 423 E HN 0.435 nan 8.360 nan 0.000 0.478 424 D N -0.501 119.686 120.400 -0.354 0.000 2.149 424 D HA -0.053 4.587 4.640 -0.000 0.000 0.206 424 D C 1.887 178.015 176.300 -0.286 0.000 0.967 424 D CA 0.454 54.286 54.000 -0.279 0.000 0.848 424 D CB 0.081 40.726 40.800 -0.258 0.000 0.998 424 D HN 0.012 nan 8.370 nan 0.000 0.474 425 M N 0.883 120.259 119.600 -0.374 0.000 2.108 425 M HA -0.101 4.379 4.480 -0.000 0.000 0.261 425 M C 2.275 178.406 176.300 -0.282 0.000 1.066 425 M CA 0.979 56.037 55.300 -0.404 0.000 1.107 425 M CB -1.355 30.976 32.600 -0.450 0.000 1.356 425 M HN 0.014 nan 8.290 nan 0.000 0.406 426 A N -0.111 122.573 122.820 -0.226 0.000 1.917 426 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 426 A C 2.412 179.932 177.584 -0.108 0.000 1.182 426 A CA 2.477 54.431 52.037 -0.138 0.000 0.633 426 A CB -0.992 17.939 19.000 -0.115 0.000 0.819 426 A HN 0.512 nan 8.150 nan 0.000 0.448 427 A N -0.671 122.074 122.820 -0.126 0.000 1.873 427 A HA 0.012 4.332 4.320 -0.000 0.000 0.215 427 A C 2.212 179.745 177.584 -0.085 0.000 1.186 427 A CA 1.604 53.588 52.037 -0.089 0.000 0.616 427 A CB -0.630 18.317 19.000 -0.089 0.000 0.823 427 A HN 0.716 nan 8.150 nan 0.000 0.442 428 L N -0.371 120.764 121.223 -0.146 0.000 2.027 428 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 428 L C 2.285 179.133 176.870 -0.036 0.000 1.074 428 L CA 2.122 56.870 54.840 -0.153 0.000 0.745 428 L CB -0.428 41.440 42.059 -0.318 0.000 0.898 428 L HN 0.498 nan 8.230 nan 0.000 0.433 429 E N -0.483 119.674 120.200 -0.073 0.000 2.233 429 E HA -0.281 4.069 4.350 -0.000 0.000 0.199 429 E C 1.966 178.617 176.600 0.084 0.000 1.004 429 E CA 1.156 57.581 56.400 0.041 0.000 0.819 429 E CB 0.050 29.741 29.700 -0.015 0.000 0.738 429 E HN 0.374 nan 8.360 nan 0.000 0.478 430 K N 0.342 120.766 120.400 0.039 0.000 2.128 430 K HA -0.086 4.234 4.320 -0.000 0.000 0.202 430 K C 1.565 178.206 176.600 0.067 0.000 1.050 430 K CA 0.623 56.937 56.287 0.045 0.000 0.966 430 K CB 0.158 32.667 32.500 0.015 0.000 0.759 430 K HN 0.056 nan 8.250 nan 0.000 0.454 431 D N 0.233 120.664 120.400 0.052 0.000 2.092 431 D HA -0.195 4.445 4.640 -0.000 0.000 0.193 431 D C 1.935 178.284 176.300 0.081 0.000 0.994 431 D CA 1.325 55.354 54.000 0.048 0.000 0.828 431 D CB -0.479 40.319 40.800 -0.002 0.000 0.963 431 D HN 0.215 nan 8.370 nan 0.000 0.450 432 Y N 1.365 121.718 120.300 0.088 0.000 2.081 432 Y HA -0.218 4.332 4.550 -0.000 0.000 0.280 432 Y C 2.633 178.562 175.900 0.049 0.000 1.163 432 Y CA 1.470 59.635 58.100 0.107 0.000 1.135 432 Y CB 0.054 38.598 38.460 0.141 0.000 0.970 432 Y HN 0.000 nan 8.280 nan 0.000 0.498 433 E N 0.234 120.567 120.200 0.223 0.000 2.204 433 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 433 E C 1.679 178.324 176.600 0.075 0.000 0.990 433 E CA 0.838 57.304 56.400 0.111 0.000 0.821 433 E CB -0.055 29.695 29.700 0.082 0.000 0.750 433 E HN 0.551 nan 8.360 nan 0.000 0.477 434 E N -0.054 120.197 120.200 0.084 0.000 2.511 434 E HA -0.065 4.285 4.350 -0.000 0.000 0.196 434 E C 1.428 178.082 176.600 0.091 0.000 1.066 434 E CA -0.006 56.440 56.400 0.075 0.000 0.871 434 E CB 0.446 30.190 29.700 0.075 0.000 0.863 434 E HN 0.083 nan 8.360 nan 0.000 0.520 435 V N 0.281 120.241 119.914 0.077 0.000 3.541 435 V HA 0.032 4.152 4.120 -0.000 0.000 0.267 435 V C 1.182 177.292 176.094 0.026 0.000 1.213 435 V CA 0.596 62.948 62.300 0.087 0.000 1.149 435 V CB 0.175 31.998 31.823 0.000 0.000 0.822 435 V HN 0.170 nan 8.190 nan 0.000 0.462 436 G N 0.620 109.421 108.800 0.001 0.000 2.313 436 G HA2 0.420 4.380 3.960 -0.000 0.000 0.250 436 G HA3 0.420 4.380 3.960 -0.000 0.000 0.250 436 G C 0.395 175.277 174.900 -0.030 0.000 1.281 436 G CA 0.446 45.515 45.100 -0.051 0.000 0.917 436 G HN 0.767 nan 8.290 nan 0.000 0.501 437 I N 0.000 120.517 120.570 -0.088 0.000 2.984 437 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 437 I CA 0.000 61.266 61.300 -0.056 0.000 1.566 437 I CB 0.000 37.972 38.000 -0.047 0.000 1.214 437 I HN 0.000 nan 8.210 nan 0.000 0.494