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 2wdc_1_A DATA FIRST_RESID 32 DATA SEQUENCE YDLPPYGDAT LLYFSDLHGQ AFPHYFMEPP NLIAPKPLMG RPGYLTGEAI DATA SEQUENCE LRYYGVERGT PLAYLLSYVD FVELARTFGP IGGMGALTAL IRDQKARVEA DATA SEQUENCE EGGKALVLDG GDTWTNSGLS LLTRGEAVVR WQNLVGVDHM VSHWEWTLGR DATA SEQUENCE ERVEELLGLF RGEFLSYNIV DDLFGDPLFP AYRIHRVGPY ALAVVGASYP DATA SEQUENCE YVKVSHPESF TEGLSFALDE RRLQEAVDKA RAEGANAVVL LSHNGMQLDA DATA SEQUENCE ALAERIRGID LILSGHTHDL TPRPWRVGKT WIVAGSAAGK ALMRVDLKLW DATA SEQUENCE KGGIANLRVR VLPVLAEHLP KAEDVEAFLK AQLAPHQDHL FTPLAVSETL DATA SEQUENCE LYKRDTLYST WDQLVGEAVK AIYPEVEVVF SPAVRWGTTI LPGQAITWDH DATA SEQUENCE LYAYTGFTYP ELYLFYLRGA QIKAVLEDIA SNVFTSDPFY QQGGDVSRVF DATA SEQUENCE GLRYVLDPDA PTGERVREVE VGGRPLDPNR RYLAAAYGGR LQRVGEAKPG DATA SEQUENCE YEPRPIYEVL AEYLRSVGRV RVRPEPNVKV IGRNYRLPEV TG 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 32 Y HA 0.000 nan 4.550 nan 0.000 0.201 32 Y C 0.000 175.902 175.900 0.003 0.000 1.272 32 Y CA 0.000 58.098 58.100 -0.003 0.000 1.940 32 Y CB 0.000 38.463 38.460 0.005 0.000 1.050 33 D N 2.479 122.951 120.400 0.120 0.000 2.517 33 D HA 0.331 4.976 4.640 0.008 0.000 0.220 33 D C -0.526 175.803 176.300 0.049 0.000 1.158 33 D CA 0.344 54.392 54.000 0.080 0.000 0.992 33 D CB -0.051 40.786 40.800 0.061 0.000 1.058 33 D HN 0.213 nan 8.370 nan 0.000 0.516 34 L N 4.002 125.258 121.223 0.055 0.000 2.343 34 L HA 0.435 4.779 4.340 0.008 0.000 0.275 34 L C -1.705 175.195 176.870 0.049 0.000 1.056 34 L CA -1.644 53.221 54.840 0.041 0.000 0.804 34 L CB 1.463 43.544 42.059 0.037 0.000 1.203 34 L HN 0.186 nan 8.230 nan 0.000 0.440 35 P HA 0.282 nan 4.420 nan 0.000 0.274 35 P C -2.674 174.678 177.300 0.086 0.000 1.246 35 P CA -1.511 61.626 63.100 0.061 0.000 0.795 35 P CB -0.261 31.475 31.700 0.060 0.000 1.006 36 P HA 0.211 nan 4.420 nan 0.000 0.272 36 P C -1.221 176.172 177.300 0.154 0.000 1.223 36 P CA 0.303 63.461 63.100 0.096 0.000 0.784 36 P CB 0.188 31.922 31.700 0.058 0.000 0.923 37 Y N 1.002 121.310 120.300 0.014 0.000 2.399 37 Y HA 0.462 5.015 4.550 0.006 0.000 0.327 37 Y C 0.458 176.364 175.900 0.010 0.000 1.111 37 Y CA 0.465 58.570 58.100 0.008 0.000 1.047 37 Y CB 1.396 39.855 38.460 -0.002 0.000 1.259 37 Y HN 0.894 nan 8.280 nan 0.000 0.434 38 G N 4.536 113.183 108.800 -0.254 0.000 2.645 38 G HA2 -0.268 3.697 3.960 0.008 0.000 0.239 38 G HA3 -0.268 3.697 3.960 0.008 0.000 0.239 38 G C -0.035 174.869 174.900 0.007 0.000 1.331 38 G CA 0.352 45.391 45.100 -0.102 0.000 0.890 38 G HN 0.646 nan 8.290 nan 0.000 0.572 39 D N 0.499 120.920 120.400 0.035 0.000 2.422 39 D HA 0.450 5.095 4.640 0.008 0.000 0.218 39 D C 1.177 177.525 176.300 0.079 0.000 1.047 39 D CA 1.358 55.402 54.000 0.073 0.000 0.885 39 D CB 0.690 41.542 40.800 0.087 0.000 1.035 39 D HN 1.034 nan 8.370 nan 0.000 0.502 40 A N 0.091 122.952 122.820 0.067 0.000 2.556 40 A HA 0.652 4.977 4.320 0.008 0.000 0.294 40 A C -0.910 176.710 177.584 0.061 0.000 1.091 40 A CA -0.437 51.637 52.037 0.060 0.000 0.704 40 A CB 1.952 20.982 19.000 0.049 0.000 1.300 40 A HN -0.109 nan 8.150 nan 0.000 0.406 41 T N 1.856 116.440 114.554 0.049 0.000 2.879 41 T HA 0.563 4.918 4.350 0.008 0.000 0.290 41 T C -0.790 173.933 174.700 0.038 0.000 0.993 41 T CA -0.218 61.912 62.100 0.050 0.000 0.975 41 T CB 0.711 69.612 68.868 0.055 0.000 0.981 41 T HN 0.473 nan 8.240 nan 0.000 0.439 42 L N 3.897 125.146 121.223 0.044 0.000 2.296 42 L HA 0.565 4.910 4.340 0.008 0.000 0.286 42 L C -0.526 176.406 176.870 0.103 0.000 1.023 42 L CA -0.881 53.991 54.840 0.053 0.000 0.812 42 L CB 1.120 43.197 42.059 0.030 0.000 1.223 42 L HN 0.404 nan 8.230 nan 0.000 0.421 43 L N 4.488 125.788 121.223 0.129 0.000 2.283 43 L HA 0.391 4.735 4.340 0.008 0.000 0.281 43 L C -0.997 176.040 176.870 0.278 0.000 1.033 43 L CA -0.520 54.427 54.840 0.177 0.000 0.848 43 L CB 0.729 42.872 42.059 0.140 0.000 1.226 43 L HN 0.455 nan 8.230 nan 0.000 0.429 44 Y N 5.756 126.137 120.300 0.135 0.000 2.364 44 Y HA 0.691 5.246 4.550 0.007 0.000 0.340 44 Y C -0.943 175.082 175.900 0.207 0.000 0.975 44 Y CA -1.788 56.374 58.100 0.104 0.000 1.089 44 Y CB 1.436 39.925 38.460 0.049 0.000 1.192 44 Y HN 0.383 nan 8.280 nan 0.000 0.454 45 F N 2.124 121.858 119.950 -0.362 0.000 2.626 45 F HA 0.851 5.383 4.527 0.008 0.000 0.311 45 F C -1.122 174.408 175.800 -0.451 0.000 1.088 45 F CA -0.927 56.803 58.000 -0.450 0.000 0.949 45 F CB 1.726 40.656 39.000 -0.116 0.000 1.322 45 F HN 0.449 nan 8.300 nan 0.000 0.461 46 S N -0.024 115.503 115.700 -0.288 0.000 2.596 46 S HA 0.393 4.868 4.470 0.008 0.000 0.270 46 S C -1.346 173.245 174.600 -0.015 0.000 1.155 46 S CA -0.434 57.661 58.200 -0.175 0.000 0.827 46 S CB 1.179 64.304 63.200 -0.125 0.000 1.130 46 S HN 0.935 nan 8.310 nan 0.000 0.467 47 D N 1.201 121.604 120.400 0.006 0.000 2.708 47 D HA -0.159 4.485 4.640 0.008 0.000 0.236 47 D C 0.680 176.933 176.300 -0.079 0.000 1.146 47 D CA 0.583 54.538 54.000 -0.076 0.000 0.662 47 D CB -0.734 40.005 40.800 -0.102 0.000 1.059 47 D HN 0.430 nan 8.370 nan 0.000 0.428 48 L N 0.673 121.880 121.223 -0.028 0.000 2.131 48 L HA -0.131 4.214 4.340 0.008 0.000 0.210 48 L C 1.096 177.915 176.870 -0.086 0.000 1.092 48 L CA 1.992 56.821 54.840 -0.018 0.000 0.759 48 L CB -0.353 41.745 42.059 0.064 0.000 0.903 48 L HN 0.324 nan 8.230 nan 0.000 0.435 49 H N -0.676 118.290 119.070 -0.172 0.000 2.626 49 H HA -0.178 4.383 4.556 0.008 0.000 0.317 49 H C 1.430 176.563 175.328 -0.325 0.000 1.140 49 H CA 0.744 56.601 56.048 -0.318 0.000 1.134 49 H CB -1.785 27.739 29.762 -0.397 0.000 1.486 49 H HN 0.615 nan 8.280 nan 0.000 0.417 50 G N 0.588 109.277 108.800 -0.184 0.000 2.212 50 G HA2 -0.356 3.608 3.960 0.008 0.000 0.267 50 G HA3 -0.356 3.608 3.960 0.008 0.000 0.267 50 G C 0.389 175.107 174.900 -0.304 0.000 1.002 50 G CA 0.584 45.558 45.100 -0.211 0.000 0.729 50 G HN 0.493 nan 8.290 nan 0.000 0.517 51 Q N -0.206 119.389 119.800 -0.342 0.000 2.359 51 Q HA 0.500 4.845 4.340 0.008 0.000 0.249 51 Q C 1.510 177.209 176.000 -0.501 0.000 1.181 51 Q CA 0.565 56.107 55.803 -0.435 0.000 0.897 51 Q CB 0.617 29.046 28.738 -0.516 0.000 1.424 51 Q HN 0.580 nan 8.270 nan 0.000 0.478 52 A N 3.053 125.524 122.820 -0.582 0.000 2.014 52 A HA 0.045 4.369 4.320 0.008 0.000 0.218 52 A C 0.186 177.175 177.584 -0.992 0.000 1.163 52 A CA 0.879 52.375 52.037 -0.902 0.000 0.652 52 A CB 0.274 18.572 19.000 -1.171 0.000 0.808 52 A HN 0.454 nan 8.150 nan 0.000 0.449 53 F N -1.331 118.492 119.950 -0.212 0.000 2.561 53 F HA 0.529 5.060 4.527 0.007 0.000 0.321 53 F C -2.542 173.199 175.800 -0.098 0.000 1.065 53 F CA -3.203 54.702 58.000 -0.159 0.000 0.934 53 F CB 0.802 39.714 39.000 -0.146 0.000 1.215 53 F HN -0.235 nan 8.300 nan 0.000 0.471 54 P HA 0.156 nan 4.420 nan 0.000 0.265 54 P C -1.155 176.189 177.300 0.072 0.000 1.193 54 P CA 0.523 63.654 63.100 0.052 0.000 0.765 54 P CB 0.151 31.838 31.700 -0.023 0.000 0.823 55 H N -0.503 118.441 119.070 -0.209 0.000 2.905 55 H HA 0.588 5.148 4.556 0.008 0.000 0.280 55 H C -1.396 173.732 175.328 -0.333 0.000 1.445 55 H CA -0.967 54.932 56.048 -0.249 0.000 1.165 55 H CB 0.462 30.183 29.762 -0.069 0.000 1.857 55 H HN 0.188 nan 8.280 nan 0.000 0.567 56 Y N 0.015 120.340 120.300 0.042 0.000 2.420 56 Y HA 0.559 5.113 4.550 0.008 0.000 0.334 56 Y C -1.122 174.877 175.900 0.165 0.000 1.094 56 Y CA -1.015 57.178 58.100 0.154 0.000 1.126 56 Y CB 1.742 40.426 38.460 0.373 0.000 1.217 56 Y HN 0.524 nan 8.280 nan 0.000 0.462 57 F N 4.044 124.068 119.950 0.124 0.000 3.051 57 F HA 0.355 4.886 4.527 0.007 0.000 0.363 57 F C -0.882 174.866 175.800 -0.087 0.000 1.257 57 F CA -1.473 56.509 58.000 -0.030 0.000 1.126 57 F CB 1.112 40.031 39.000 -0.136 0.000 1.476 57 F HN 0.502 nan 8.300 nan 0.000 0.576 58 M N 4.223 123.538 119.600 -0.476 0.000 2.235 58 M HA 0.314 4.799 4.480 0.008 0.000 0.351 58 M C 0.154 176.099 176.300 -0.590 0.000 1.178 58 M CA -0.200 54.589 55.300 -0.851 0.000 1.143 58 M CB 0.653 32.421 32.600 -1.387 0.000 1.530 58 M HN 0.395 nan 8.290 nan 0.000 0.461 59 E N 5.000 124.978 120.200 -0.368 0.000 2.392 59 E HA 0.280 4.634 4.350 0.008 0.000 0.259 59 E C -2.356 174.120 176.600 -0.206 0.000 1.108 59 E CA -1.484 54.766 56.400 -0.250 0.000 0.916 59 E CB -0.089 29.547 29.700 -0.107 0.000 0.989 59 E HN 0.461 nan 8.360 nan 0.000 0.432 60 P HA 0.076 nan 4.420 nan 0.000 0.268 60 P C -2.251 174.950 177.300 -0.166 0.000 1.205 60 P CA -1.223 61.793 63.100 -0.140 0.000 0.771 60 P CB 0.276 31.932 31.700 -0.074 0.000 0.858 61 P HA 0.015 nan 4.420 nan 0.000 0.227 61 P C -0.001 177.059 177.300 -0.399 0.000 1.161 61 P CA 1.315 63.930 63.100 -0.808 0.000 0.788 61 P CB 0.332 31.447 31.700 -0.975 0.000 0.822 62 N N -0.243 118.329 118.700 -0.212 0.000 2.260 62 N HA 0.346 5.090 4.740 0.008 0.000 0.293 62 N C -1.076 174.456 175.510 0.038 0.000 1.058 62 N CA -0.459 52.537 53.050 -0.091 0.000 0.824 62 N CB 2.354 40.762 38.487 -0.131 0.000 1.551 62 N HN -0.118 nan 8.380 nan 0.000 0.475 63 L N 2.980 124.261 121.223 0.097 0.000 2.470 63 L HA 0.479 4.824 4.340 0.008 0.000 0.253 63 L C -0.359 176.695 176.870 0.306 0.000 1.163 63 L CA -0.379 54.561 54.840 0.166 0.000 0.932 63 L CB 0.850 42.962 42.059 0.089 0.000 1.213 63 L HN 0.411 nan 8.230 nan 0.000 0.485 64 I N 1.984 122.755 120.570 0.336 0.000 2.556 64 I HA 0.365 4.540 4.170 0.008 0.000 0.284 64 I C 0.702 177.092 176.117 0.454 0.000 1.114 64 I CA 0.324 61.833 61.300 0.348 0.000 1.418 64 I CB 1.118 39.318 38.000 0.334 0.000 1.394 64 I HN 0.514 nan 8.210 nan 0.000 0.552 65 A N 8.607 131.540 122.820 0.187 0.000 2.454 65 A HA 0.842 5.166 4.320 0.008 0.000 0.302 65 A C -2.635 174.940 177.584 -0.014 0.000 1.079 65 A CA -1.662 50.360 52.037 -0.025 0.000 0.731 65 A CB 1.389 20.001 19.000 -0.645 0.000 1.299 65 A HN 0.444 nan 8.150 nan 0.000 0.413 66 P HA 0.145 nan 4.420 nan 0.000 0.272 66 P C 0.291 177.561 177.300 -0.050 0.000 1.230 66 P CA -0.118 62.979 63.100 -0.005 0.000 0.788 66 P CB 0.753 32.488 31.700 0.059 0.000 0.949 67 K N 1.483 121.862 120.400 -0.035 0.000 2.089 67 K HA -0.166 4.159 4.320 0.008 0.000 0.210 67 K C -0.698 175.886 176.600 -0.027 0.000 1.048 67 K CA 2.247 58.516 56.287 -0.030 0.000 0.926 67 K CB -1.681 30.810 32.500 -0.015 0.000 0.714 67 K HN 0.500 nan 8.250 nan 0.000 0.448 68 P HA -0.114 nan 4.420 nan 0.000 0.222 68 P C 0.794 178.092 177.300 -0.004 0.000 1.147 68 P CA 1.108 64.213 63.100 0.008 0.000 0.790 68 P CB 0.139 31.857 31.700 0.030 0.000 0.780 69 L N -3.035 118.141 121.223 -0.079 0.000 2.640 69 L HA 0.211 4.555 4.340 0.008 0.000 0.230 69 L C 1.046 177.776 176.870 -0.234 0.000 1.123 69 L CA -0.271 54.472 54.840 -0.161 0.000 0.900 69 L CB -0.342 41.508 42.059 -0.347 0.000 1.146 69 L HN -0.008 nan 8.230 nan 0.000 0.484 70 M N -0.060 119.448 119.600 -0.155 0.000 2.252 70 M HA 0.109 4.594 4.480 0.008 0.000 0.333 70 M C 1.426 177.711 176.300 -0.025 0.000 1.111 70 M CA 1.349 56.592 55.300 -0.094 0.000 1.140 70 M CB 0.382 32.953 32.600 -0.048 0.000 1.538 70 M HN 0.267 nan 8.290 nan 0.000 0.448 71 G N 1.912 110.707 108.800 -0.009 0.000 2.184 71 G HA2 -0.256 3.709 3.960 0.008 0.000 0.264 71 G HA3 -0.256 3.709 3.960 0.008 0.000 0.264 71 G C 0.099 174.944 174.900 -0.092 0.000 0.975 71 G CA 0.036 45.125 45.100 -0.019 0.000 0.642 71 G HN 0.634 nan 8.290 nan 0.000 0.536 72 R N 0.697 121.156 120.500 -0.069 0.000 2.500 72 R HA 0.484 4.829 4.340 0.008 0.000 0.277 72 R C -2.359 173.669 176.300 -0.454 0.000 1.026 72 R CA -1.929 54.047 56.100 -0.207 0.000 1.058 72 R CB 0.655 30.979 30.300 0.040 0.000 1.078 72 R HN 0.033 nan 8.270 nan 0.000 0.509 73 P HA -0.037 nan 4.420 nan 0.000 0.264 73 P C 0.352 177.338 177.300 -0.523 0.000 1.183 73 P CA 1.110 63.745 63.100 -0.775 0.000 0.763 73 P CB 0.665 31.748 31.700 -1.029 0.000 0.807 74 G N 1.707 110.317 108.800 -0.317 0.000 2.213 74 G HA2 -0.280 3.685 3.960 0.008 0.000 0.226 74 G HA3 -0.280 3.685 3.960 0.008 0.000 0.226 74 G C 0.203 174.760 174.900 -0.572 0.000 0.992 74 G CA -0.241 44.639 45.100 -0.367 0.000 0.632 74 G HN 0.505 nan 8.290 nan 0.000 0.511 75 Y N 0.334 120.567 120.300 -0.112 0.000 2.738 75 Y HA 0.572 5.127 4.550 0.008 0.000 0.249 75 Y C 0.795 176.647 175.900 -0.081 0.000 1.153 75 Y CA -0.536 57.529 58.100 -0.058 0.000 1.165 75 Y CB 0.548 38.991 38.460 -0.029 0.000 1.235 75 Y HN 0.191 nan 8.280 nan 0.000 0.559 76 L N 1.192 122.397 121.223 -0.030 0.000 2.317 76 L HA 0.734 5.079 4.340 0.008 0.000 0.281 76 L C 0.243 177.118 176.870 0.007 0.000 1.024 76 L CA -0.484 54.328 54.840 -0.047 0.000 0.810 76 L CB 1.747 43.705 42.059 -0.169 0.000 1.240 76 L HN 0.138 nan 8.230 nan 0.000 0.427 77 T N -1.163 113.417 114.554 0.044 0.000 2.812 77 T HA 0.773 5.128 4.350 0.008 0.000 0.294 77 T C 0.387 175.136 174.700 0.081 0.000 1.159 77 T CA -0.121 62.035 62.100 0.094 0.000 1.008 77 T CB 1.538 70.496 68.868 0.150 0.000 1.289 77 T HN 0.964 nan 8.240 nan 0.000 0.514 78 G N 1.313 110.138 108.800 0.042 0.000 2.634 78 G HA2 -0.330 3.634 3.960 0.008 0.000 0.309 78 G HA3 -0.330 3.634 3.960 0.008 0.000 0.309 78 G C 0.598 175.382 174.900 -0.192 0.000 1.265 78 G CA 1.102 46.018 45.100 -0.306 0.000 0.998 78 G HN 0.987 nan 8.290 nan 0.000 0.551 79 E N 0.589 120.712 120.200 -0.130 0.000 2.106 79 E HA 0.255 4.610 4.350 0.008 0.000 0.192 79 E C 2.932 179.526 176.600 -0.010 0.000 0.984 79 E CA 1.934 58.295 56.400 -0.065 0.000 0.806 79 E CB -0.481 29.195 29.700 -0.041 0.000 0.750 79 E HN 0.865 nan 8.360 nan 0.000 0.458 80 A N 1.052 123.877 122.820 0.008 0.000 1.908 80 A HA -0.188 4.136 4.320 0.008 0.000 0.218 80 A C 2.264 179.881 177.584 0.055 0.000 1.181 80 A CA 1.289 53.345 52.037 0.033 0.000 0.627 80 A CB -0.678 18.341 19.000 0.031 0.000 0.818 80 A HN 0.329 nan 8.150 nan 0.000 0.445 81 I N -0.442 120.158 120.570 0.050 0.000 2.315 81 I HA -0.209 3.966 4.170 0.008 0.000 0.248 81 I C 2.136 178.370 176.117 0.193 0.000 1.117 81 I CA 1.025 62.393 61.300 0.114 0.000 1.404 81 I CB -0.059 38.006 38.000 0.109 0.000 1.071 81 I HN 0.346 nan 8.210 nan 0.000 0.419 82 L N 0.156 121.444 121.223 0.108 0.000 2.046 82 L HA -0.197 4.148 4.340 0.008 0.000 0.208 82 L C 2.740 179.672 176.870 0.103 0.000 1.077 82 L CA 1.311 56.214 54.840 0.105 0.000 0.747 82 L CB -0.730 41.354 42.059 0.041 0.000 0.896 82 L HN 0.170 nan 8.230 nan 0.000 0.432 83 R N -0.936 119.607 120.500 0.070 0.000 2.081 83 R HA -0.207 4.138 4.340 0.008 0.000 0.235 83 R C 2.336 178.653 176.300 0.028 0.000 1.131 83 R CA 1.704 57.829 56.100 0.042 0.000 0.960 83 R CB -0.613 29.704 30.300 0.029 0.000 0.856 83 R HN 0.267 nan 8.270 nan 0.000 0.436 84 Y N 0.101 120.333 120.300 -0.113 0.000 2.165 84 Y HA -0.281 4.274 4.550 0.008 0.000 0.286 84 Y C 1.260 176.940 175.900 -0.366 0.000 1.155 84 Y CA 1.660 59.592 58.100 -0.280 0.000 1.164 84 Y CB -0.018 38.182 38.460 -0.434 0.000 0.978 84 Y HN 0.030 nan 8.280 nan 0.000 0.513 85 Y N -0.312 120.093 120.300 0.174 0.000 2.457 85 Y HA 0.281 4.836 4.550 0.008 0.000 0.263 85 Y C 1.669 177.581 175.900 0.021 0.000 1.164 85 Y CA 0.148 58.306 58.100 0.097 0.000 1.274 85 Y CB 0.110 38.647 38.460 0.129 0.000 1.097 85 Y HN 0.177 nan 8.280 nan 0.000 0.523 86 G N 0.863 109.721 108.800 0.096 0.000 2.246 86 G HA2 -0.248 3.717 3.960 0.008 0.000 0.273 86 G HA3 -0.248 3.717 3.960 0.008 0.000 0.273 86 G C -0.380 174.560 174.900 0.067 0.000 1.055 86 G CA 0.270 45.402 45.100 0.053 0.000 0.851 86 G HN 0.131 nan 8.290 nan 0.000 0.500 87 V N 0.224 120.192 119.914 0.090 0.000 2.407 87 V HA 0.395 4.520 4.120 0.008 0.000 0.278 87 V C 0.773 176.892 176.094 0.042 0.000 1.037 87 V CA -0.648 61.691 62.300 0.064 0.000 0.900 87 V CB 1.734 33.605 31.823 0.080 0.000 0.983 87 V HN 0.511 nan 8.190 nan 0.000 0.459 88 E N 4.506 124.721 120.200 0.026 0.000 2.360 88 E HA 0.159 4.514 4.350 0.008 0.000 0.269 88 E C 0.429 177.046 176.600 0.029 0.000 1.022 88 E CA -0.505 55.908 56.400 0.022 0.000 0.887 88 E CB 0.641 30.349 29.700 0.014 0.000 0.990 88 E HN 0.566 nan 8.360 nan 0.000 0.426 89 R N 2.664 123.179 120.500 0.025 0.000 2.570 89 R HA 0.050 4.395 4.340 0.008 0.000 0.277 89 R C 0.729 177.057 176.300 0.047 0.000 1.039 89 R CA 1.339 57.457 56.100 0.029 0.000 1.065 89 R CB 0.093 30.401 30.300 0.013 0.000 0.964 89 R HN 0.860 nan 8.270 nan 0.000 0.428 90 G N 2.237 111.083 108.800 0.076 0.000 2.176 90 G HA2 -0.310 3.654 3.960 0.008 0.000 0.253 90 G HA3 -0.310 3.654 3.960 0.008 0.000 0.253 90 G C 0.171 175.201 174.900 0.217 0.000 0.979 90 G CA 0.484 45.653 45.100 0.114 0.000 0.641 90 G HN 0.830 nan 8.290 nan 0.000 0.530 91 T N -1.881 112.760 114.554 0.145 0.000 2.847 91 T HA 0.623 4.978 4.350 0.008 0.000 0.279 91 T C -0.888 173.766 174.700 -0.076 0.000 0.984 91 T CA -0.892 61.247 62.100 0.064 0.000 0.988 91 T CB 2.164 71.023 68.868 -0.015 0.000 1.040 91 T HN -0.085 nan 8.240 nan 0.000 0.528 92 P HA -0.038 nan 4.420 nan 0.000 0.217 92 P C 1.667 178.839 177.300 -0.213 0.000 1.150 92 P CA 0.272 62.918 63.100 -0.756 0.000 0.832 92 P CB -0.055 31.156 31.700 -0.815 0.000 0.787 93 L N -0.190 120.939 121.223 -0.156 0.000 2.046 93 L HA -0.077 4.267 4.340 0.008 0.000 0.208 93 L C 2.200 179.062 176.870 -0.014 0.000 1.077 93 L CA 1.915 56.706 54.840 -0.082 0.000 0.747 93 L CB -1.621 40.391 42.059 -0.079 0.000 0.896 93 L HN -0.123 nan 8.230 nan 0.000 0.432 94 A N -1.314 121.523 122.820 0.028 0.000 1.940 94 A HA -0.302 4.023 4.320 0.008 0.000 0.219 94 A C 2.298 179.974 177.584 0.153 0.000 1.176 94 A CA 1.812 53.894 52.037 0.076 0.000 0.631 94 A CB -1.203 17.849 19.000 0.087 0.000 0.814 94 A HN 0.633 nan 8.150 nan 0.000 0.446 95 Y N 0.144 120.482 120.300 0.063 0.000 2.165 95 Y HA -0.152 4.403 4.550 0.007 0.000 0.286 95 Y C 1.777 177.768 175.900 0.151 0.000 1.155 95 Y CA 1.687 59.871 58.100 0.141 0.000 1.164 95 Y CB -0.513 38.067 38.460 0.200 0.000 0.978 95 Y HN 0.181 nan 8.280 nan 0.000 0.513 96 L N -0.759 120.408 121.223 -0.093 0.000 2.109 96 L HA -0.111 4.233 4.340 0.008 0.000 0.207 96 L C 2.287 179.107 176.870 -0.084 0.000 1.086 96 L CA 1.189 55.916 54.840 -0.188 0.000 0.760 96 L CB -1.033 40.945 42.059 -0.136 0.000 0.910 96 L HN 0.321 nan 8.230 nan 0.000 0.437 97 L N -2.335 118.867 121.223 -0.034 0.000 2.240 97 L HA 0.118 4.463 4.340 0.008 0.000 0.211 97 L C 1.020 177.886 176.870 -0.007 0.000 1.106 97 L CA 0.716 55.539 54.840 -0.028 0.000 0.793 97 L CB 0.036 42.085 42.059 -0.018 0.000 0.927 97 L HN 0.211 nan 8.230 nan 0.000 0.446 98 S N -2.931 112.777 115.700 0.013 0.000 2.588 98 S HA 0.263 4.738 4.470 0.008 0.000 0.275 98 S C 0.339 174.951 174.600 0.020 0.000 1.130 98 S CA -0.363 57.825 58.200 -0.020 0.000 0.855 98 S CB 0.832 63.975 63.200 -0.094 0.000 1.116 98 S HN 0.274 nan 8.310 nan 0.000 0.472 99 Y N 1.785 122.071 120.300 -0.023 0.000 2.516 99 Y HA 0.418 4.973 4.550 0.009 0.000 0.291 99 Y C 0.482 176.428 175.900 0.077 0.000 1.131 99 Y CA -0.210 57.869 58.100 -0.035 0.000 1.281 99 Y CB -0.774 37.575 38.460 -0.184 0.000 1.013 99 Y HN 0.226 nan 8.280 nan 0.000 0.554 100 V N 4.326 123.928 119.914 -0.521 0.000 2.617 100 V HA -0.135 3.990 4.120 0.008 0.000 0.304 100 V C 0.421 176.513 176.094 -0.004 0.000 1.040 100 V CA 0.844 62.956 62.300 -0.314 0.000 1.149 100 V CB -0.218 31.407 31.823 -0.331 0.000 0.914 100 V HN 0.625 nan 8.190 nan 0.000 0.487 101 D N 2.622 123.050 120.400 0.047 0.000 3.059 101 D HA -0.287 4.358 4.640 0.008 0.000 0.220 101 D C 0.743 177.114 176.300 0.119 0.000 1.169 101 D CA 1.285 55.325 54.000 0.066 0.000 0.902 101 D CB -1.289 39.527 40.800 0.027 0.000 1.116 101 D HN 0.599 nan 8.370 nan 0.000 0.417 102 F N 1.339 121.337 119.950 0.081 0.000 2.043 102 F HA -0.309 4.224 4.527 0.008 0.000 0.297 102 F C 2.306 178.166 175.800 0.100 0.000 1.118 102 F CA 2.287 60.374 58.000 0.145 0.000 1.202 102 F CB -0.407 38.678 39.000 0.141 0.000 0.965 102 F HN 0.031 nan 8.300 nan 0.000 0.482 103 V N 0.286 120.216 119.914 0.025 0.000 2.287 103 V HA -0.318 3.807 4.120 0.008 0.000 0.248 103 V C 2.352 178.303 176.094 -0.237 0.000 1.053 103 V CA 2.240 64.460 62.300 -0.132 0.000 1.027 103 V CB -0.855 30.980 31.823 0.020 0.000 0.646 103 V HN 0.399 nan 8.190 nan 0.000 0.447 104 E N 0.553 120.658 120.200 -0.159 0.000 2.077 104 E HA -0.187 4.168 4.350 0.008 0.000 0.193 104 E C 1.987 178.395 176.600 -0.319 0.000 0.989 104 E CA 1.573 57.856 56.400 -0.195 0.000 0.800 104 E CB -0.417 29.205 29.700 -0.130 0.000 0.746 104 E HN 0.579 nan 8.360 nan 0.000 0.452 105 L N -0.267 120.749 121.223 -0.346 0.000 2.156 105 L HA 0.001 4.346 4.340 0.008 0.000 0.208 105 L C 2.482 178.810 176.870 -0.903 0.000 1.095 105 L CA 0.817 55.336 54.840 -0.534 0.000 0.770 105 L CB -0.594 41.329 42.059 -0.226 0.000 0.914 105 L HN 0.205 nan 8.230 nan 0.000 0.439 106 A N 0.341 122.679 122.820 -0.802 0.000 1.933 106 A HA -0.165 4.159 4.320 0.008 0.000 0.218 106 A C 2.351 179.724 177.584 -0.352 0.000 1.175 106 A CA 1.194 52.871 52.037 -0.600 0.000 0.628 106 A CB -0.373 18.234 19.000 -0.655 0.000 0.814 106 A HN 0.317 nan 8.150 nan 0.000 0.444 107 R N -0.884 119.402 120.500 -0.358 0.000 2.235 107 R HA -0.025 4.320 4.340 0.008 0.000 0.213 107 R C 1.704 177.848 176.300 -0.260 0.000 1.059 107 R CA 1.448 57.405 56.100 -0.238 0.000 0.997 107 R CB -0.410 29.766 30.300 -0.206 0.000 0.884 107 R HN 0.529 nan 8.270 nan 0.000 0.462 108 T N 0.269 114.561 114.554 -0.436 0.000 2.866 108 T HA 0.028 4.383 4.350 0.008 0.000 0.250 108 T C 1.136 175.533 174.700 -0.505 0.000 1.033 108 T CA 0.940 62.690 62.100 -0.583 0.000 1.145 108 T CB -0.060 68.218 68.868 -0.982 0.000 0.866 108 T HN 0.063 nan 8.240 nan 0.000 0.434 109 F N 1.262 121.080 119.950 -0.221 0.000 2.754 109 F HA 0.467 4.999 4.527 0.007 0.000 0.297 109 F C 1.714 177.590 175.800 0.126 0.000 1.122 109 F CA -0.041 57.932 58.000 -0.046 0.000 1.400 109 F CB -0.564 38.344 39.000 -0.153 0.000 1.117 109 F HN 0.374 nan 8.300 nan 0.000 0.587 110 G N 0.652 109.564 108.800 0.187 0.000 2.728 110 G HA2 -0.140 3.824 3.960 0.008 0.000 0.294 110 G HA3 -0.140 3.824 3.960 0.008 0.000 0.294 110 G C -2.877 172.231 174.900 0.346 0.000 1.342 110 G CA -1.069 44.179 45.100 0.246 0.000 0.866 110 G HN 0.003 nan 8.290 nan 0.000 0.534 111 P HA 0.533 nan 4.420 nan 0.000 0.274 111 P C 0.006 177.304 177.300 -0.002 0.000 1.246 111 P CA -0.130 62.828 63.100 -0.237 0.000 0.795 111 P CB 0.719 32.086 31.700 -0.556 0.000 1.006 112 I N -2.850 117.672 120.570 -0.080 0.000 2.924 112 I HA 0.810 4.985 4.170 0.008 0.000 0.316 112 I C 0.872 176.946 176.117 -0.072 0.000 1.014 112 I CA -0.586 60.690 61.300 -0.041 0.000 1.106 112 I CB 0.336 38.292 38.000 -0.073 0.000 1.311 112 I HN 0.758 nan 8.210 nan 0.000 0.502 113 G N 1.005 109.784 108.800 -0.036 0.000 2.601 113 G HA2 0.385 4.350 3.960 0.008 0.000 0.252 113 G HA3 0.385 4.350 3.960 0.008 0.000 0.252 113 G C 0.311 175.181 174.900 -0.049 0.000 1.294 113 G CA 0.098 45.178 45.100 -0.033 0.000 0.912 113 G HN 2.895 nan 8.290 nan 0.000 0.574 114 G N -3.104 105.636 108.800 -0.100 0.000 3.055 114 G HA2 0.240 4.205 3.960 0.008 0.000 0.686 114 G HA3 0.240 4.205 3.960 0.008 0.000 0.686 114 G C 0.590 175.311 174.900 -0.299 0.000 1.087 114 G CA 0.522 45.516 45.100 -0.177 0.000 0.779 114 G HN 1.418 nan 8.290 nan 0.000 0.599 115 M N 1.765 121.068 119.600 -0.496 0.000 2.213 115 M HA -0.007 4.478 4.480 0.008 0.000 0.263 115 M C 2.728 178.893 176.300 -0.225 0.000 1.062 115 M CA 2.477 57.373 55.300 -0.674 0.000 1.105 115 M CB -0.275 31.595 32.600 -1.217 0.000 1.385 115 M HN 0.833 nan 8.290 nan 0.000 0.417 116 G N 0.065 108.779 108.800 -0.144 0.000 2.453 116 G HA2 -0.180 3.784 3.960 0.008 0.000 0.215 116 G HA3 -0.180 3.784 3.960 0.008 0.000 0.215 116 G C 1.621 176.511 174.900 -0.017 0.000 1.201 116 G CA 1.014 46.101 45.100 -0.020 0.000 0.784 116 G HN 0.534 nan 8.290 nan 0.000 0.545 117 A N 0.313 123.103 122.820 -0.050 0.000 1.902 117 A HA 0.048 4.373 4.320 0.008 0.000 0.217 117 A C 2.379 179.926 177.584 -0.061 0.000 1.181 117 A CA 1.788 53.795 52.037 -0.051 0.000 0.623 117 A CB -0.487 18.485 19.000 -0.047 0.000 0.818 117 A HN 0.494 nan 8.150 nan 0.000 0.443 118 L N -0.136 121.041 121.223 -0.077 0.000 2.046 118 L HA -0.109 4.235 4.340 0.008 0.000 0.208 118 L C 2.381 179.244 176.870 -0.012 0.000 1.077 118 L CA 2.840 57.631 54.840 -0.081 0.000 0.747 118 L CB -1.133 40.824 42.059 -0.169 0.000 0.896 118 L HN 0.364 nan 8.230 nan 0.000 0.432 119 T N -0.029 114.573 114.554 0.079 0.000 2.708 119 T HA -0.135 4.220 4.350 0.008 0.000 0.266 119 T C 1.937 176.643 174.700 0.011 0.000 1.037 119 T CA 1.370 63.527 62.100 0.095 0.000 1.146 119 T CB -0.591 68.392 68.868 0.192 0.000 0.865 119 T HN 0.532 nan 8.240 nan 0.000 0.435 120 A N 1.302 124.117 122.820 -0.009 0.000 1.908 120 A HA -0.048 4.277 4.320 0.008 0.000 0.218 120 A C 2.252 179.790 177.584 -0.077 0.000 1.181 120 A CA 1.402 53.415 52.037 -0.041 0.000 0.627 120 A CB -0.833 18.137 19.000 -0.050 0.000 0.818 120 A HN 0.399 nan 8.150 nan 0.000 0.445 121 L N -0.143 121.017 121.223 -0.105 0.000 2.027 121 L HA -0.066 4.279 4.340 0.008 0.000 0.206 121 L C 2.244 179.068 176.870 -0.077 0.000 1.074 121 L CA 1.668 56.417 54.840 -0.151 0.000 0.745 121 L CB -0.456 41.497 42.059 -0.177 0.000 0.898 121 L HN 0.433 nan 8.230 nan 0.000 0.433 122 I N -0.740 119.807 120.570 -0.039 0.000 2.208 122 I HA -0.327 3.848 4.170 0.008 0.000 0.245 122 I C 2.632 178.743 176.117 -0.010 0.000 1.097 122 I CA 1.334 62.632 61.300 -0.004 0.000 1.363 122 I CB -0.280 37.725 38.000 0.009 0.000 1.051 122 I HN 0.251 nan 8.210 nan 0.000 0.413 123 R N 0.317 120.803 120.500 -0.024 0.000 2.075 123 R HA -0.207 4.138 4.340 0.008 0.000 0.232 123 R C 1.965 178.252 176.300 -0.021 0.000 1.126 123 R CA 1.938 58.024 56.100 -0.023 0.000 0.963 123 R CB -0.445 29.839 30.300 -0.026 0.000 0.858 123 R HN 0.379 nan 8.270 nan 0.000 0.435 124 D N 0.211 120.590 120.400 -0.035 0.000 2.104 124 D HA -0.189 4.456 4.640 0.008 0.000 0.194 124 D C 1.945 178.239 176.300 -0.010 0.000 0.994 124 D CA 1.283 55.264 54.000 -0.032 0.000 0.830 124 D CB 0.200 40.958 40.800 -0.071 0.000 0.959 124 D HN 0.056 nan 8.370 nan 0.000 0.452 125 Q N 0.162 119.958 119.800 -0.006 0.000 2.079 125 Q HA -0.151 4.194 4.340 0.008 0.000 0.200 125 Q C 2.195 178.209 176.000 0.023 0.000 0.974 125 Q CA 1.035 56.850 55.803 0.021 0.000 0.840 125 Q CB -0.379 28.380 28.738 0.034 0.000 0.898 125 Q HN 0.382 nan 8.270 nan 0.000 0.430 126 K N 0.551 120.960 120.400 0.015 0.000 2.057 126 K HA -0.099 4.226 4.320 0.008 0.000 0.207 126 K C 2.045 178.652 176.600 0.011 0.000 1.049 126 K CA 1.144 57.439 56.287 0.014 0.000 0.931 126 K CB -0.087 32.415 32.500 0.004 0.000 0.714 126 K HN 0.143 nan 8.250 nan 0.000 0.440 127 A N 1.379 124.203 122.820 0.006 0.000 1.877 127 A HA -0.182 4.143 4.320 0.008 0.000 0.216 127 A C 2.087 179.679 177.584 0.014 0.000 1.186 127 A CA 1.581 53.622 52.037 0.006 0.000 0.620 127 A CB -0.514 18.487 19.000 0.002 0.000 0.822 127 A HN 0.319 nan 8.150 nan 0.000 0.443 128 R N -0.767 119.745 120.500 0.020 0.000 2.083 128 R HA -0.100 4.245 4.340 0.008 0.000 0.237 128 R C 2.087 178.405 176.300 0.031 0.000 1.137 128 R CA 1.521 57.638 56.100 0.028 0.000 0.951 128 R CB -0.670 29.651 30.300 0.035 0.000 0.851 128 R HN 0.397 nan 8.270 nan 0.000 0.434 129 V N 1.463 121.396 119.914 0.033 0.000 2.295 129 V HA -0.251 3.874 4.120 0.008 0.000 0.246 129 V C 2.026 178.138 176.094 0.031 0.000 1.049 129 V CA 1.922 64.244 62.300 0.037 0.000 1.024 129 V CB -0.441 31.405 31.823 0.039 0.000 0.648 129 V HN 0.380 nan 8.190 nan 0.000 0.447 130 E N 0.216 120.430 120.200 0.024 0.000 2.153 130 E HA -0.162 4.193 4.350 0.008 0.000 0.194 130 E C 2.239 178.851 176.600 0.019 0.000 0.988 130 E CA 1.175 57.587 56.400 0.020 0.000 0.811 130 E CB -0.321 29.387 29.700 0.013 0.000 0.746 130 E HN 0.607 nan 8.360 nan 0.000 0.466 131 A N 1.270 124.102 122.820 0.019 0.000 2.067 131 A HA -0.186 4.139 4.320 0.008 0.000 0.219 131 A C 1.717 179.314 177.584 0.021 0.000 1.158 131 A CA 1.084 53.132 52.037 0.018 0.000 0.661 131 A CB -0.218 18.793 19.000 0.018 0.000 0.801 131 A HN 0.144 nan 8.150 nan 0.000 0.452 132 E N -1.560 118.656 120.200 0.026 0.000 2.481 132 E HA 0.239 4.594 4.350 0.008 0.000 0.195 132 E C 1.115 177.732 176.600 0.028 0.000 1.047 132 E CA 0.290 56.707 56.400 0.029 0.000 0.867 132 E CB -0.059 29.663 29.700 0.037 0.000 0.858 132 E HN 0.715 nan 8.360 nan 0.000 0.513 133 G N 0.983 109.799 108.800 0.027 0.000 2.141 133 G HA2 -0.240 3.725 3.960 0.008 0.000 0.242 133 G HA3 -0.240 3.725 3.960 0.008 0.000 0.242 133 G C 0.461 175.382 174.900 0.035 0.000 0.982 133 G CA -0.151 44.965 45.100 0.027 0.000 0.662 133 G HN 0.481 nan 8.290 nan 0.000 0.527 134 G N -0.748 108.075 108.800 0.038 0.000 2.525 134 G HA2 0.615 4.580 3.960 0.008 0.000 0.287 134 G HA3 0.615 4.580 3.960 0.008 0.000 0.287 134 G C -0.184 174.742 174.900 0.043 0.000 1.350 134 G CA 0.045 45.173 45.100 0.047 0.000 1.039 134 G HN 0.628 nan 8.290 nan 0.000 0.513 135 K N -0.946 119.483 120.400 0.047 0.000 2.471 135 K HA 0.614 4.939 4.320 0.008 0.000 0.252 135 K C -0.918 175.699 176.600 0.028 0.000 0.938 135 K CA -0.665 55.645 56.287 0.038 0.000 0.796 135 K CB 1.770 34.300 32.500 0.050 0.000 1.161 135 K HN 0.642 nan 8.250 nan 0.000 0.425 136 A N 4.918 127.746 122.820 0.013 0.000 2.350 136 A HA 0.714 5.038 4.320 0.008 0.000 0.324 136 A C -1.302 176.267 177.584 -0.026 0.000 1.118 136 A CA -0.831 51.210 52.037 0.006 0.000 0.783 136 A CB 0.773 19.784 19.000 0.017 0.000 1.236 136 A HN 0.687 nan 8.150 nan 0.000 0.457 137 L N 2.061 123.264 121.223 -0.033 0.000 2.365 137 L HA 0.535 4.880 4.340 0.008 0.000 0.273 137 L C -0.913 175.958 176.870 0.000 0.000 1.000 137 L CA -1.017 53.780 54.840 -0.072 0.000 0.819 137 L CB 2.212 44.184 42.059 -0.145 0.000 1.284 137 L HN 0.424 nan 8.230 nan 0.000 0.418 138 V N 4.785 124.703 119.914 0.007 0.000 2.333 138 V HA 0.416 4.540 4.120 0.008 0.000 0.274 138 V C -0.074 176.072 176.094 0.087 0.000 1.028 138 V CA -0.293 62.058 62.300 0.084 0.000 0.851 138 V CB 1.349 33.224 31.823 0.085 0.000 1.000 138 V HN 0.474 nan 8.190 nan 0.000 0.456 139 L N 4.271 125.563 121.223 0.115 0.000 2.356 139 L HA 0.618 4.963 4.340 0.008 0.000 0.277 139 L C -0.759 176.075 176.870 -0.059 0.000 0.996 139 L CA -0.495 54.399 54.840 0.089 0.000 0.822 139 L CB 2.139 44.265 42.059 0.111 0.000 1.256 139 L HN 0.500 nan 8.230 nan 0.000 0.413 140 D N 1.921 122.216 120.400 -0.174 0.000 2.344 140 D HA 0.278 4.923 4.640 0.008 0.000 0.239 140 D C 0.891 177.087 176.300 -0.173 0.000 1.064 140 D CA -0.393 53.294 54.000 -0.522 0.000 0.829 140 D CB 2.293 42.853 40.800 -0.400 0.000 1.129 140 D HN 0.632 nan 8.370 nan 0.000 0.506 141 G N 2.249 111.004 108.800 -0.075 0.000 2.848 141 G HA2 0.409 4.374 3.960 0.008 0.000 0.208 141 G HA3 0.409 4.374 3.960 0.008 0.000 0.208 141 G C 0.873 175.893 174.900 0.199 0.000 1.152 141 G CA 0.355 45.559 45.100 0.174 0.000 0.789 141 G HN 0.942 nan 8.290 nan 0.000 0.531 142 G N -0.193 108.606 108.800 -0.002 0.000 2.655 142 G HA2 0.088 4.053 3.960 0.008 0.000 0.680 142 G HA3 0.088 4.053 3.960 0.008 0.000 0.680 142 G C -0.175 174.677 174.900 -0.080 0.000 1.302 142 G CA -0.101 44.945 45.100 -0.091 0.000 0.872 142 G HN 0.587 nan 8.290 nan 0.000 0.540 143 D N -1.294 118.951 120.400 -0.259 0.000 2.723 143 D HA -0.140 4.504 4.640 0.008 0.000 0.236 143 D C 1.448 177.451 176.300 -0.494 0.000 1.138 143 D CA 2.192 55.962 54.000 -0.384 0.000 0.676 143 D CB -1.290 39.325 40.800 -0.308 0.000 1.069 143 D HN 0.820 nan 8.370 nan 0.000 0.430 144 T N -2.363 112.004 114.554 -0.312 0.000 3.045 144 T HA -0.028 4.326 4.350 0.008 0.000 0.239 144 T C 1.511 176.241 174.700 0.051 0.000 1.008 144 T CA 0.274 62.319 62.100 -0.092 0.000 1.143 144 T CB 0.008 68.907 68.868 0.051 0.000 0.894 144 T HN 0.204 nan 8.240 nan 0.000 0.451 145 W N 3.517 124.714 121.300 -0.172 0.000 2.595 145 W HA 0.211 4.876 4.660 0.007 0.000 0.257 145 W C 1.299 177.700 176.519 -0.197 0.000 1.267 145 W CA 0.085 57.331 57.345 -0.164 0.000 1.300 145 W CB -1.375 27.972 29.460 -0.189 0.000 1.120 145 W HN 0.272 nan 8.180 nan 0.000 0.618 146 T N -2.614 111.916 114.554 -0.040 0.000 2.927 146 T HA 0.448 4.802 4.350 0.008 0.000 0.286 146 T C 0.054 174.556 174.700 -0.331 0.000 1.040 146 T CA -0.591 61.413 62.100 -0.160 0.000 1.010 146 T CB 1.600 70.391 68.868 -0.129 0.000 1.177 146 T HN 0.128 nan 8.240 nan 0.000 0.546 147 N N -0.402 118.037 118.700 -0.434 0.000 2.814 147 N HA -0.118 4.627 4.740 0.008 0.000 0.247 147 N C -0.496 174.779 175.510 -0.391 0.000 1.089 147 N CA 0.666 53.318 53.050 -0.662 0.000 0.682 147 N CB -1.738 35.871 38.487 -1.462 0.000 0.970 147 N HN 1.113 nan 8.380 nan 0.000 0.554 148 S N -3.200 112.347 115.700 -0.254 0.000 2.615 148 S HA 0.736 5.211 4.470 0.008 0.000 0.269 148 S C 1.156 175.654 174.600 -0.171 0.000 1.161 148 S CA -0.538 57.558 58.200 -0.173 0.000 0.817 148 S CB 1.411 64.485 63.200 -0.209 0.000 1.131 148 S HN 0.216 nan 8.310 nan 0.000 0.467 149 G N 0.617 109.373 108.800 -0.072 0.000 2.459 149 G HA2 -0.115 3.850 3.960 0.008 0.000 0.217 149 G HA3 -0.115 3.850 3.960 0.008 0.000 0.217 149 G C 1.215 175.967 174.900 -0.246 0.000 1.183 149 G CA 1.066 46.068 45.100 -0.163 0.000 0.776 149 G HN 0.826 nan 8.290 nan 0.000 0.552 150 L N 1.016 122.148 121.223 -0.152 0.000 2.042 150 L HA -0.058 4.287 4.340 0.008 0.000 0.210 150 L C 2.920 179.673 176.870 -0.195 0.000 1.076 150 L CA 2.589 57.330 54.840 -0.166 0.000 0.749 150 L CB -0.677 41.282 42.059 -0.168 0.000 0.893 150 L HN 0.259 nan 8.230 nan 0.000 0.432 151 S N -0.994 114.587 115.700 -0.197 0.000 2.355 151 S HA -0.148 4.327 4.470 0.008 0.000 0.222 151 S C 2.031 176.506 174.600 -0.208 0.000 1.031 151 S CA 1.536 59.627 58.200 -0.180 0.000 0.993 151 S CB -0.429 62.672 63.200 -0.165 0.000 0.859 151 S HN 0.490 nan 8.310 nan 0.000 0.453 152 L N 0.905 121.961 121.223 -0.279 0.000 2.083 152 L HA -0.024 4.321 4.340 0.008 0.000 0.209 152 L C 2.301 178.985 176.870 -0.310 0.000 1.083 152 L CA 0.965 55.622 54.840 -0.305 0.000 0.752 152 L CB -0.443 41.325 42.059 -0.485 0.000 0.899 152 L HN 0.336 nan 8.230 nan 0.000 0.433 153 L N -0.655 120.348 121.223 -0.365 0.000 2.376 153 L HA -0.093 4.252 4.340 0.008 0.000 0.219 153 L C 1.815 178.535 176.870 -0.251 0.000 1.133 153 L CA 1.320 55.931 54.840 -0.381 0.000 0.816 153 L CB -0.439 41.298 42.059 -0.538 0.000 0.933 153 L HN 0.436 nan 8.230 nan 0.000 0.449 154 T N -5.302 109.134 114.554 -0.196 0.000 3.170 154 T HA 0.203 4.558 4.350 0.008 0.000 0.288 154 T C 0.730 175.352 174.700 -0.132 0.000 0.992 154 T CA -0.564 61.453 62.100 -0.139 0.000 0.909 154 T CB 0.154 68.953 68.868 -0.115 0.000 1.133 154 T HN 0.137 nan 8.240 nan 0.000 0.530 155 R N 1.020 121.439 120.500 -0.135 0.000 3.322 155 R HA -0.204 4.141 4.340 0.008 0.000 0.253 155 R C 1.427 177.638 176.300 -0.148 0.000 0.987 155 R CA 0.632 56.661 56.100 -0.118 0.000 0.666 155 R CB -2.079 28.167 30.300 -0.090 0.000 1.072 155 R HN 0.999 nan 8.270 nan 0.000 0.447 156 G N -0.516 108.188 108.800 -0.160 0.000 2.267 156 G HA2 -0.436 3.529 3.960 0.008 0.000 0.257 156 G HA3 -0.436 3.529 3.960 0.008 0.000 0.257 156 G C 0.636 175.355 174.900 -0.302 0.000 0.998 156 G CA 0.744 45.718 45.100 -0.211 0.000 0.620 156 G HN 0.572 nan 8.290 nan 0.000 0.529 157 E N 0.732 120.790 120.200 -0.236 0.000 2.070 157 E HA -0.039 4.316 4.350 0.008 0.000 0.197 157 E C 2.818 179.365 176.600 -0.088 0.000 1.004 157 E CA 2.004 58.282 56.400 -0.202 0.000 0.805 157 E CB -0.394 29.232 29.700 -0.123 0.000 0.744 157 E HN 0.951 nan 8.360 nan 0.000 0.451 158 A N 0.319 123.137 122.820 -0.004 0.000 1.972 158 A HA -0.127 4.198 4.320 0.008 0.000 0.219 158 A C 2.354 180.073 177.584 0.224 0.000 1.169 158 A CA 1.405 53.558 52.037 0.194 0.000 0.635 158 A CB -0.462 18.578 19.000 0.067 0.000 0.810 158 A HN 0.235 nan 8.150 nan 0.000 0.446 159 V N -0.433 119.517 119.914 0.059 0.000 2.358 159 V HA -0.206 3.919 4.120 0.008 0.000 0.246 159 V C 2.531 178.724 176.094 0.165 0.000 1.047 159 V CA 1.872 64.261 62.300 0.149 0.000 1.035 159 V CB -0.826 31.053 31.823 0.093 0.000 0.658 159 V HN 0.369 nan 8.190 nan 0.000 0.452 160 V N 0.106 119.933 119.914 -0.144 0.000 2.343 160 V HA -0.244 3.880 4.120 0.008 0.000 0.247 160 V C 2.602 178.680 176.094 -0.027 0.000 1.051 160 V CA 1.979 64.187 62.300 -0.154 0.000 1.036 160 V CB -0.841 30.720 31.823 -0.438 0.000 0.654 160 V HN 0.470 nan 8.190 nan 0.000 0.451 161 R N -1.245 119.224 120.500 -0.051 0.000 2.096 161 R HA -0.228 4.116 4.340 0.008 0.000 0.235 161 R C 2.134 178.263 176.300 -0.285 0.000 1.127 161 R CA 1.998 57.988 56.100 -0.182 0.000 0.968 161 R CB -0.444 29.736 30.300 -0.201 0.000 0.861 161 R HN 0.709 nan 8.270 nan 0.000 0.440 162 W N 2.211 123.377 121.300 -0.223 0.000 2.381 162 W HA -0.158 4.506 4.660 0.007 0.000 0.301 162 W C 1.828 178.305 176.519 -0.070 0.000 1.205 162 W CA 1.196 58.438 57.345 -0.171 0.000 1.285 162 W CB -0.241 29.208 29.460 -0.019 0.000 1.133 162 W HN 0.015 nan 8.180 nan 0.000 0.521 163 Q N 0.096 119.672 119.800 -0.374 0.000 2.135 163 Q HA -0.251 4.093 4.340 0.008 0.000 0.204 163 Q C 1.900 177.677 176.000 -0.372 0.000 0.981 163 Q CA 1.831 57.341 55.803 -0.490 0.000 0.856 163 Q CB -0.510 28.311 28.738 0.138 0.000 0.902 163 Q HN 0.318 nan 8.270 nan 0.000 0.425 164 N N 0.326 118.882 118.700 -0.241 0.000 2.244 164 N HA -0.087 4.658 4.740 0.008 0.000 0.183 164 N C 1.705 177.046 175.510 -0.282 0.000 1.016 164 N CA 0.838 53.752 53.050 -0.227 0.000 0.866 164 N CB -0.118 38.263 38.487 -0.177 0.000 0.980 164 N HN 0.226 nan 8.380 nan 0.000 0.430 165 L N -0.216 120.790 121.223 -0.362 0.000 2.056 165 L HA -0.067 4.277 4.340 0.008 0.000 0.207 165 L C 2.284 178.976 176.870 -0.298 0.000 1.078 165 L CA 0.713 55.369 54.840 -0.307 0.000 0.749 165 L CB -0.400 41.482 42.059 -0.295 0.000 0.901 165 L HN 0.025 nan 8.230 nan 0.000 0.433 166 V N -0.147 119.490 119.914 -0.462 0.000 2.453 166 V HA 0.067 4.192 4.120 0.008 0.000 0.247 166 V C 1.058 177.012 176.094 -0.234 0.000 1.048 166 V CA 1.353 63.441 62.300 -0.353 0.000 1.049 166 V CB -0.158 31.376 31.823 -0.481 0.000 0.672 166 V HN 0.668 nan 8.190 nan 0.000 0.457 167 G N 0.179 108.832 108.800 -0.245 0.000 2.970 167 G HA2 -0.128 3.836 3.960 0.008 0.000 0.249 167 G HA3 -0.128 3.836 3.960 0.008 0.000 0.249 167 G C -0.415 174.410 174.900 -0.125 0.000 1.113 167 G CA -0.135 44.862 45.100 -0.172 0.000 1.119 167 G HN 0.659 nan 8.290 nan 0.000 0.552 168 V N 1.698 121.551 119.914 -0.102 0.000 2.455 168 V HA 0.210 4.335 4.120 0.008 0.000 0.273 168 V C 1.295 177.349 176.094 -0.067 0.000 1.045 168 V CA 0.161 62.472 62.300 0.020 0.000 0.976 168 V CB 1.334 33.287 31.823 0.217 0.000 0.993 168 V HN 0.546 nan 8.190 nan 0.000 0.475 169 D N 2.078 122.424 120.400 -0.089 0.000 2.137 169 D HA 0.009 4.654 4.640 0.008 0.000 0.202 169 D C 0.498 176.558 176.300 -0.400 0.000 0.970 169 D CA 1.398 55.232 54.000 -0.278 0.000 0.837 169 D CB 0.295 40.907 40.800 -0.313 0.000 0.981 169 D HN 0.600 nan 8.370 nan 0.000 0.475 170 H N -1.212 117.938 119.070 0.132 0.000 3.016 170 H HA 0.472 5.033 4.556 0.008 0.000 0.362 170 H C -0.302 175.121 175.328 0.159 0.000 1.233 170 H CA -0.620 55.531 56.048 0.170 0.000 1.124 170 H CB 2.166 31.979 29.762 0.085 0.000 1.850 170 H HN -0.052 nan 8.280 nan 0.000 0.549 171 M N 0.553 120.286 119.600 0.222 0.000 2.622 171 M HA 0.672 5.157 4.480 0.008 0.000 0.276 171 M C -1.259 174.830 176.300 -0.352 0.000 1.265 171 M CA -0.977 54.289 55.300 -0.055 0.000 0.850 171 M CB 2.673 35.178 32.600 -0.159 0.000 1.720 171 M HN 0.335 nan 8.290 nan 0.000 0.465 172 V N -0.969 118.745 119.914 -0.334 0.000 3.184 172 V HA 1.011 5.135 4.120 0.008 0.000 0.308 172 V C -0.392 175.557 176.094 -0.242 0.000 1.243 172 V CA -0.017 62.014 62.300 -0.448 0.000 1.058 172 V CB 1.259 32.980 31.823 -0.171 0.000 1.183 172 V HN 1.260 nan 8.190 nan 0.000 0.471 173 S N -1.826 113.848 115.700 -0.044 0.000 2.638 173 S HA 0.725 5.200 4.470 0.008 0.000 0.274 173 S C -0.396 174.224 174.600 0.034 0.000 1.157 173 S CA 0.247 58.451 58.200 0.007 0.000 0.826 173 S CB 2.010 65.399 63.200 0.314 0.000 1.139 173 S HN 1.456 nan 8.310 nan 0.000 0.474 174 H N -0.958 118.008 119.070 -0.173 0.000 4.458 174 H HA 0.149 4.710 4.556 0.008 0.000 0.108 174 H C 0.085 175.418 175.328 0.010 0.000 1.256 174 H CA -0.204 55.809 56.048 -0.058 0.000 0.987 174 H CB -0.471 29.117 29.762 -0.291 0.000 1.141 174 H HN 0.556 nan 8.280 nan 0.000 0.166 175 W N 2.375 123.428 121.300 -0.410 0.000 2.468 175 W HA -0.030 4.635 4.660 0.008 0.000 0.262 175 W C 1.934 178.259 176.519 -0.324 0.000 1.241 175 W CA 1.255 58.331 57.345 -0.450 0.000 1.232 175 W CB 0.071 29.282 29.460 -0.414 0.000 1.124 175 W HN 0.491 nan 8.180 nan 0.000 0.597 176 E N -1.125 118.953 120.200 -0.202 0.000 2.147 176 E HA -0.246 4.108 4.350 0.008 0.000 0.199 176 E C 1.460 177.830 176.600 -0.383 0.000 1.005 176 E CA 1.827 57.997 56.400 -0.383 0.000 0.810 176 E CB -0.819 28.354 29.700 -0.878 0.000 0.736 176 E HN 0.427 nan 8.360 nan 0.000 0.460 177 W N 0.436 121.660 121.300 -0.126 0.000 2.611 177 W HA -0.075 4.590 4.660 0.008 0.000 0.251 177 W C 2.043 178.394 176.519 -0.279 0.000 1.265 177 W CA 1.355 58.638 57.345 -0.102 0.000 1.295 177 W CB -0.572 28.882 29.460 -0.010 0.000 1.129 177 W HN 0.114 nan 8.180 nan 0.000 0.630 178 T N -2.178 112.225 114.554 -0.252 0.000 3.163 178 T HA -0.056 4.299 4.350 0.008 0.000 0.260 178 T C 1.422 175.657 174.700 -0.775 0.000 1.156 178 T CA 0.676 62.428 62.100 -0.580 0.000 1.072 178 T CB -0.408 68.430 68.868 -0.050 0.000 0.937 178 T HN 0.192 nan 8.240 nan 0.000 0.528 179 L N 0.722 121.705 121.223 -0.399 0.000 2.509 179 L HA 0.370 4.715 4.340 0.008 0.000 0.222 179 L C 1.442 178.170 176.870 -0.237 0.000 1.123 179 L CA 0.257 54.939 54.840 -0.263 0.000 0.856 179 L CB -0.824 41.165 42.059 -0.117 0.000 0.985 179 L HN 0.648 nan 8.230 nan 0.000 0.456 180 G N 0.054 108.700 108.800 -0.257 0.000 2.692 180 G HA2 -0.205 3.760 3.960 0.008 0.000 0.686 180 G HA3 -0.205 3.760 3.960 0.008 0.000 0.686 180 G C 0.260 175.273 174.900 0.188 0.000 1.243 180 G CA -0.434 44.712 45.100 0.076 0.000 0.782 180 G HN 0.106 nan 8.290 nan 0.000 0.625 181 R N 0.546 121.252 120.500 0.343 0.000 2.096 181 R HA -0.137 4.208 4.340 0.008 0.000 0.240 181 R C 2.480 178.907 176.300 0.211 0.000 1.139 181 R CA 2.230 58.566 56.100 0.393 0.000 0.952 181 R CB -0.228 30.288 30.300 0.359 0.000 0.854 181 R HN 0.808 nan 8.270 nan 0.000 0.436 182 E N -0.043 120.248 120.200 0.152 0.000 2.058 182 E HA -0.242 4.113 4.350 0.008 0.000 0.194 182 E C 2.112 178.740 176.600 0.047 0.000 0.997 182 E CA 1.079 57.535 56.400 0.093 0.000 0.801 182 E CB -0.124 29.624 29.700 0.080 0.000 0.746 182 E HN 0.076 nan 8.360 nan 0.000 0.450 183 R N 1.140 121.656 120.500 0.025 0.000 2.092 183 R HA -0.094 4.250 4.340 0.008 0.000 0.231 183 R C 2.134 178.397 176.300 -0.062 0.000 1.119 183 R CA 0.925 57.007 56.100 -0.030 0.000 0.970 183 R CB -0.689 29.584 30.300 -0.046 0.000 0.864 183 R HN 0.014 nan 8.270 nan 0.000 0.440 184 V N 0.973 120.850 119.914 -0.063 0.000 2.343 184 V HA -0.231 3.894 4.120 0.008 0.000 0.247 184 V C 2.064 178.123 176.094 -0.058 0.000 1.051 184 V CA 2.240 64.469 62.300 -0.117 0.000 1.036 184 V CB -0.488 31.016 31.823 -0.533 0.000 0.654 184 V HN 0.421 nan 8.190 nan 0.000 0.451 185 E N -0.232 119.972 120.200 0.008 0.000 2.085 185 E HA -0.252 4.103 4.350 0.008 0.000 0.194 185 E C 2.296 178.908 176.600 0.019 0.000 0.994 185 E CA 1.519 57.951 56.400 0.053 0.000 0.801 185 E CB -0.141 29.608 29.700 0.083 0.000 0.743 185 E HN 0.674 nan 8.360 nan 0.000 0.453 186 E N 0.509 120.701 120.200 -0.012 0.000 2.051 186 E HA -0.182 4.173 4.350 0.008 0.000 0.192 186 E C 2.214 178.768 176.600 -0.077 0.000 0.991 186 E CA 0.813 57.191 56.400 -0.036 0.000 0.799 186 E CB -0.056 29.613 29.700 -0.051 0.000 0.748 186 E HN 0.249 nan 8.360 nan 0.000 0.449 187 L N 0.643 121.774 121.223 -0.154 0.000 2.141 187 L HA -0.160 4.185 4.340 0.008 0.000 0.209 187 L C 2.400 179.193 176.870 -0.130 0.000 1.094 187 L CA 0.615 55.269 54.840 -0.310 0.000 0.763 187 L CB -0.253 41.346 42.059 -0.766 0.000 0.908 187 L HN 0.184 nan 8.230 nan 0.000 0.437 188 L N -0.527 120.712 121.223 0.027 0.000 2.201 188 L HA -0.102 4.243 4.340 0.008 0.000 0.212 188 L C 2.588 179.552 176.870 0.157 0.000 1.105 188 L CA 1.030 55.973 54.840 0.171 0.000 0.775 188 L CB -0.889 41.237 42.059 0.112 0.000 0.913 188 L HN 0.306 nan 8.230 nan 0.000 0.440 189 G N 0.104 108.947 108.800 0.072 0.000 2.408 189 G HA2 -0.259 3.706 3.960 0.008 0.000 0.217 189 G HA3 -0.259 3.706 3.960 0.008 0.000 0.217 189 G C 1.541 176.463 174.900 0.038 0.000 1.150 189 G CA 0.530 45.661 45.100 0.052 0.000 0.776 189 G HN 0.237 nan 8.290 nan 0.000 0.542 190 L N -0.443 120.792 121.223 0.019 0.000 2.131 190 L HA 0.400 4.745 4.340 0.008 0.000 0.206 190 L C 0.911 177.814 176.870 0.054 0.000 1.087 190 L CA -0.137 54.702 54.840 -0.002 0.000 0.767 190 L CB -0.517 41.505 42.059 -0.061 0.000 0.917 190 L HN 0.101 nan 8.230 nan 0.000 0.441 191 F N 0.937 120.858 119.950 -0.048 0.000 2.590 191 F HA 0.044 4.576 4.527 0.008 0.000 0.389 191 F C 1.516 177.328 175.800 0.019 0.000 1.049 191 F CA 0.377 58.386 58.000 0.014 0.000 1.199 191 F CB 0.283 39.371 39.000 0.146 0.000 1.058 191 F HN 0.027 nan 8.300 nan 0.000 0.556 192 R N 3.430 123.655 120.500 -0.460 0.000 2.240 192 R HA 0.145 4.490 4.340 0.008 0.000 0.203 192 R C 1.302 177.218 176.300 -0.639 0.000 1.011 192 R CA 0.370 56.213 56.100 -0.428 0.000 1.007 192 R CB -0.179 29.954 30.300 -0.278 0.000 0.911 192 R HN 0.787 nan 8.270 nan 0.000 0.468 193 G N 0.705 108.683 108.800 -1.369 0.000 2.588 193 G HA2 0.025 3.989 3.960 0.008 0.000 0.278 193 G HA3 0.025 3.989 3.960 0.008 0.000 0.278 193 G C -0.987 173.607 174.900 -0.510 0.000 1.307 193 G CA -0.476 44.031 45.100 -0.989 0.000 1.016 193 G HN 0.112 nan 8.290 nan 0.000 0.503 194 E N -0.638 119.536 120.200 -0.044 0.000 2.129 194 E HA 0.325 4.680 4.350 0.008 0.000 0.268 194 E C -1.207 175.714 176.600 0.536 0.000 0.900 194 E CA -0.720 55.845 56.400 0.276 0.000 0.755 194 E CB 0.788 30.661 29.700 0.288 0.000 1.117 194 E HN 0.236 nan 8.360 nan 0.000 0.410 195 F N 5.495 125.671 119.950 0.377 0.000 2.495 195 F HA 0.292 4.824 4.527 0.008 0.000 0.365 195 F C -1.022 174.833 175.800 0.091 0.000 1.090 195 F CA -0.011 58.099 58.000 0.183 0.000 1.235 195 F CB 0.396 39.364 39.000 -0.052 0.000 1.119 195 F HN 0.387 nan 8.300 nan 0.000 0.562 196 L N 4.977 125.921 121.223 -0.466 0.000 2.354 196 L HA 0.643 4.987 4.340 0.008 0.000 0.269 196 L C -0.694 175.949 176.870 -0.378 0.000 1.005 196 L CA -0.736 53.960 54.840 -0.241 0.000 0.819 196 L CB 2.106 44.054 42.059 -0.185 0.000 1.311 196 L HN 0.566 nan 8.230 nan 0.000 0.423 197 S N -0.463 115.226 115.700 -0.018 0.000 2.582 197 S HA 0.128 4.603 4.470 0.008 0.000 0.296 197 S C -0.191 174.479 174.600 0.116 0.000 1.118 197 S CA -0.705 57.519 58.200 0.041 0.000 0.947 197 S CB 0.830 64.093 63.200 0.104 0.000 1.131 197 S HN 0.670 nan 8.310 nan 0.000 0.453 198 Y N 3.190 123.526 120.300 0.060 0.000 2.457 198 Y HA 0.130 4.685 4.550 0.008 0.000 0.292 198 Y C 1.471 177.392 175.900 0.036 0.000 1.125 198 Y CA 1.592 59.727 58.100 0.057 0.000 1.254 198 Y CB -0.120 38.371 38.460 0.052 0.000 1.012 198 Y HN 0.622 nan 8.280 nan 0.000 0.555 199 N N 1.065 119.175 118.700 -0.984 0.000 2.254 199 N HA 0.067 4.812 4.740 0.008 0.000 0.190 199 N C -0.134 175.095 175.510 -0.468 0.000 1.107 199 N CA 0.046 52.543 53.050 -0.922 0.000 0.869 199 N CB -0.135 37.634 38.487 -1.196 0.000 0.983 199 N HN 0.426 nan 8.380 nan 0.000 0.487 200 I N 2.572 122.943 120.570 -0.333 0.000 2.308 200 I HA 0.136 4.311 4.170 0.008 0.000 0.293 200 I C 0.113 176.044 176.117 -0.310 0.000 1.078 200 I CA -0.751 60.281 61.300 -0.446 0.000 1.292 200 I CB 0.915 38.747 38.000 -0.280 0.000 1.423 200 I HN -0.083 nan 8.210 nan 0.000 0.493 201 V N 1.745 121.455 119.914 -0.339 0.000 3.074 201 V HA 0.540 4.664 4.120 0.008 0.000 0.314 201 V C -0.523 175.451 176.094 -0.200 0.000 1.117 201 V CA -1.030 61.139 62.300 -0.219 0.000 1.014 201 V CB 2.008 33.743 31.823 -0.146 0.000 1.057 201 V HN 0.620 nan 8.190 nan 0.000 0.438 202 D N 1.651 121.977 120.400 -0.124 0.000 2.424 202 D HA 0.131 4.776 4.640 0.008 0.000 0.244 202 D C 0.891 177.172 176.300 -0.032 0.000 1.134 202 D CA 0.477 54.437 54.000 -0.066 0.000 0.881 202 D CB 1.268 42.070 40.800 0.003 0.000 1.191 202 D HN 0.871 nan 8.370 nan 0.000 0.445 203 D N 3.038 123.419 120.400 -0.031 0.000 2.363 203 D HA -0.119 4.526 4.640 0.008 0.000 0.226 203 D C 1.268 177.558 176.300 -0.015 0.000 1.020 203 D CA 0.236 54.220 54.000 -0.028 0.000 0.892 203 D CB 0.017 40.800 40.800 -0.029 0.000 0.900 203 D HN 0.387 nan 8.370 nan 0.000 0.531 204 L N -1.741 119.495 121.223 0.021 0.000 2.435 204 L HA 0.348 4.693 4.340 0.008 0.000 0.195 204 L C 1.597 178.399 176.870 -0.114 0.000 1.072 204 L CA 0.794 55.602 54.840 -0.053 0.000 0.833 204 L CB -0.291 41.746 42.059 -0.036 0.000 1.081 204 L HN -0.125 nan 8.230 nan 0.000 0.485 205 F N 0.142 120.065 119.950 -0.045 0.000 2.530 205 F HA 0.352 4.884 4.527 0.008 0.000 0.292 205 F C 1.873 177.645 175.800 -0.046 0.000 1.109 205 F CA 0.770 58.745 58.000 -0.042 0.000 1.450 205 F CB -0.040 38.934 39.000 -0.043 0.000 1.114 205 F HN 0.231 nan 8.300 nan 0.000 0.560 206 G N 0.607 109.478 108.800 0.119 0.000 2.159 206 G HA2 -0.263 3.702 3.960 0.008 0.000 0.256 206 G HA3 -0.263 3.702 3.960 0.008 0.000 0.256 206 G C -0.304 174.606 174.900 0.016 0.000 0.977 206 G CA 0.173 45.293 45.100 0.034 0.000 0.652 206 G HN 0.418 nan 8.290 nan 0.000 0.531 207 D N 0.683 121.097 120.400 0.024 0.000 2.390 207 D HA 0.395 5.040 4.640 0.008 0.000 0.249 207 D C -2.528 173.727 176.300 -0.075 0.000 1.144 207 D CA -1.444 52.539 54.000 -0.029 0.000 0.880 207 D CB 1.052 41.814 40.800 -0.063 0.000 1.182 207 D HN 0.138 nan 8.370 nan 0.000 0.451 208 P HA 0.087 nan 4.420 nan 0.000 0.271 208 P C 0.519 177.726 177.300 -0.154 0.000 1.216 208 P CA -0.258 62.787 63.100 -0.092 0.000 0.776 208 P CB 0.752 32.434 31.700 -0.031 0.000 0.881 209 L N 0.903 121.971 121.223 -0.259 0.000 2.529 209 L HA 0.224 4.569 4.340 0.008 0.000 0.223 209 L C 0.169 176.598 176.870 -0.734 0.000 1.113 209 L CA 0.564 55.092 54.840 -0.520 0.000 0.861 209 L CB -0.176 41.462 42.059 -0.703 0.000 1.012 209 L HN 0.313 nan 8.230 nan 0.000 0.461 210 F N -1.120 118.864 119.950 0.058 0.000 2.629 210 F HA 0.526 5.058 4.527 0.008 0.000 0.316 210 F C -2.318 173.524 175.800 0.069 0.000 1.081 210 F CA -2.945 55.132 58.000 0.128 0.000 0.954 210 F CB 0.314 39.496 39.000 0.304 0.000 1.337 210 F HN -0.371 nan 8.300 nan 0.000 0.474 211 P HA 0.245 nan 4.420 nan 0.000 0.271 211 P C -0.199 177.147 177.300 0.077 0.000 1.216 211 P CA 0.048 63.195 63.100 0.079 0.000 0.776 211 P CB 1.017 32.741 31.700 0.040 0.000 0.881 212 A N 2.800 125.620 122.820 0.001 0.000 1.930 212 A HA 0.082 4.407 4.320 0.008 0.000 0.215 212 A C 0.355 178.019 177.584 0.133 0.000 1.176 212 A CA 1.408 53.516 52.037 0.119 0.000 0.632 212 A CB -0.770 18.358 19.000 0.213 0.000 0.819 212 A HN 0.690 nan 8.150 nan 0.000 0.445 213 Y N -3.435 116.873 120.300 0.014 0.000 2.670 213 Y HA 0.790 5.345 4.550 0.008 0.000 0.334 213 Y C -0.878 174.994 175.900 -0.047 0.000 1.185 213 Y CA -2.072 56.002 58.100 -0.044 0.000 1.053 213 Y CB 0.718 39.158 38.460 -0.033 0.000 1.298 213 Y HN 0.046 nan 8.280 nan 0.000 0.459 214 R N 1.675 122.274 120.500 0.165 0.000 2.574 214 R HA 0.693 5.038 4.340 0.008 0.000 0.288 214 R C -2.215 174.170 176.300 0.142 0.000 1.004 214 R CA -0.600 55.556 56.100 0.093 0.000 0.895 214 R CB 1.341 31.686 30.300 0.074 0.000 1.191 214 R HN 0.871 nan 8.270 nan 0.000 0.444 215 I N 4.407 125.022 120.570 0.075 0.000 2.385 215 I HA 0.342 4.516 4.170 0.008 0.000 0.294 215 I C 0.039 176.086 176.117 -0.117 0.000 0.988 215 I CA -0.665 60.668 61.300 0.054 0.000 1.265 215 I CB 1.196 39.246 38.000 0.084 0.000 1.388 215 I HN 0.475 nan 8.210 nan 0.000 0.480 216 H N 5.958 125.087 119.070 0.099 0.000 2.538 216 H HA 0.444 5.005 4.556 0.008 0.000 0.353 216 H C -0.561 174.811 175.328 0.073 0.000 1.109 216 H CA -0.832 55.269 56.048 0.088 0.000 1.192 216 H CB 1.806 31.626 29.762 0.098 0.000 1.555 216 H HN 0.427 nan 8.280 nan 0.000 0.518 217 R N 1.513 122.109 120.500 0.160 0.000 2.438 217 R HA 0.290 4.635 4.340 0.008 0.000 0.287 217 R C -0.538 175.844 176.300 0.135 0.000 1.077 217 R CA -0.382 55.790 56.100 0.119 0.000 1.034 217 R CB 0.842 31.185 30.300 0.073 0.000 0.993 217 R HN 0.225 nan 8.270 nan 0.000 0.459 218 V N 3.913 123.914 119.914 0.146 0.000 2.380 218 V HA 0.285 4.410 4.120 0.008 0.000 0.268 218 V C 0.881 177.082 176.094 0.179 0.000 1.008 218 V CA 0.171 62.570 62.300 0.165 0.000 0.823 218 V CB 0.522 32.459 31.823 0.191 0.000 1.053 218 V HN 1.181 nan 8.190 nan 0.000 0.446 219 G N 6.481 115.337 108.800 0.094 0.000 2.591 219 G HA2 -0.228 3.737 3.960 0.008 0.000 0.298 219 G HA3 -0.228 3.737 3.960 0.008 0.000 0.298 219 G C -0.859 174.006 174.900 -0.058 0.000 1.195 219 G CA 0.456 45.572 45.100 0.028 0.000 0.989 219 G HN 0.560 nan 8.290 nan 0.000 0.551 220 P HA 0.257 nan 4.420 nan 0.000 0.249 220 P C -0.180 176.906 177.300 -0.356 0.000 1.229 220 P CA 0.625 63.530 63.100 -0.325 0.000 0.788 220 P CB 0.041 31.463 31.700 -0.463 0.000 1.072 221 Y N 0.775 121.086 120.300 0.018 0.000 2.545 221 Y HA 0.637 5.191 4.550 0.007 0.000 0.324 221 Y C 0.679 176.586 175.900 0.013 0.000 1.220 221 Y CA -1.279 56.827 58.100 0.009 0.000 1.290 221 Y CB 0.860 39.330 38.460 0.015 0.000 1.355 221 Y HN -0.156 nan 8.280 nan 0.000 0.516 222 A N 1.408 124.340 122.820 0.188 0.000 2.398 222 A HA 0.687 5.012 4.320 0.008 0.000 0.301 222 A C -2.150 175.484 177.584 0.082 0.000 1.041 222 A CA -0.571 51.532 52.037 0.111 0.000 0.711 222 A CB 1.144 20.180 19.000 0.061 0.000 1.240 222 A HN 0.616 nan 8.150 nan 0.000 0.420 223 L N 2.444 123.728 121.223 0.101 0.000 2.349 223 L HA 0.825 5.170 4.340 0.008 0.000 0.278 223 L C 0.094 177.025 176.870 0.102 0.000 0.996 223 L CA -0.159 54.726 54.840 0.075 0.000 0.825 223 L CB 1.517 43.627 42.059 0.084 0.000 1.243 223 L HN 0.939 nan 8.230 nan 0.000 0.412 224 A N 4.876 127.714 122.820 0.030 0.000 2.301 224 A HA 0.721 5.045 4.320 0.008 0.000 0.312 224 A C -0.934 176.672 177.584 0.037 0.000 1.182 224 A CA -0.502 51.551 52.037 0.027 0.000 0.826 224 A CB 0.979 19.897 19.000 -0.137 0.000 1.134 224 A HN 0.531 nan 8.150 nan 0.000 0.501 225 V N 3.922 123.886 119.914 0.085 0.000 2.357 225 V HA 0.347 4.472 4.120 0.008 0.000 0.284 225 V C -0.199 175.890 176.094 -0.008 0.000 1.018 225 V CA -0.401 61.904 62.300 0.007 0.000 0.841 225 V CB 1.198 33.006 31.823 -0.025 0.000 0.991 225 V HN 0.642 nan 8.190 nan 0.000 0.437 226 V N 3.910 123.820 119.914 -0.007 0.000 2.472 226 V HA 0.785 4.910 4.120 0.008 0.000 0.290 226 V C 0.760 176.861 176.094 0.011 0.000 1.037 226 V CA -0.314 62.012 62.300 0.044 0.000 0.908 226 V CB 1.812 33.641 31.823 0.011 0.000 0.985 226 V HN 0.903 nan 8.190 nan 0.000 0.454 227 G N 2.235 111.059 108.800 0.040 0.000 2.400 227 G HA2 0.727 4.692 3.960 0.008 0.000 0.333 227 G HA3 0.727 4.692 3.960 0.008 0.000 0.333 227 G C -0.802 174.193 174.900 0.159 0.000 1.143 227 G CA -0.408 44.701 45.100 0.015 0.000 0.914 227 G HN 1.153 nan 8.290 nan 0.000 0.480 228 A N 1.467 124.377 122.820 0.150 0.000 2.375 228 A HA 0.770 5.095 4.320 0.008 0.000 0.295 228 A C 0.073 177.757 177.584 0.167 0.000 1.066 228 A CA -0.490 51.696 52.037 0.247 0.000 0.722 228 A CB 1.482 20.689 19.000 0.344 0.000 1.206 228 A HN 0.713 nan 8.150 nan 0.000 0.435 229 S N 0.539 116.320 115.700 0.135 0.000 2.652 229 S HA 0.464 4.939 4.470 0.008 0.000 0.270 229 S C -0.298 174.444 174.600 0.237 0.000 1.243 229 S CA -0.252 58.087 58.200 0.232 0.000 0.999 229 S CB 0.388 63.797 63.200 0.349 0.000 0.973 229 S HN 0.635 nan 8.310 nan 0.000 0.544 230 Y N 4.359 124.709 120.300 0.083 0.000 2.717 230 Y HA 0.117 4.672 4.550 0.008 0.000 0.330 230 Y C -1.634 174.145 175.900 -0.201 0.000 1.217 230 Y CA -1.573 56.457 58.100 -0.117 0.000 1.506 230 Y CB 0.563 38.789 38.460 -0.391 0.000 1.268 230 Y HN 0.419 nan 8.280 nan 0.000 0.561 231 P HA -0.069 nan 4.420 nan 0.000 0.236 231 P C -0.337 176.360 177.300 -1.006 0.000 1.177 231 P CA 1.288 63.920 63.100 -0.780 0.000 0.773 231 P CB 0.117 31.260 31.700 -0.929 0.000 0.878 232 Y N -1.271 118.382 120.300 -1.078 0.000 2.658 232 Y HA 0.129 4.684 4.550 0.008 0.000 0.276 232 Y C 2.063 177.714 175.900 -0.416 0.000 1.167 232 Y CA -0.379 57.294 58.100 -0.711 0.000 1.230 232 Y CB -0.650 37.409 38.460 -0.669 0.000 1.144 232 Y HN -0.305 nan 8.280 nan 0.000 0.529 233 V N 0.195 119.886 119.914 -0.371 0.000 2.332 233 V HA -0.351 3.774 4.120 0.008 0.000 0.248 233 V C 2.200 178.219 176.094 -0.126 0.000 1.055 233 V CA 1.941 64.101 62.300 -0.233 0.000 1.038 233 V CB -0.328 30.927 31.823 -0.947 0.000 0.651 233 V HN 0.424 nan 8.190 nan 0.000 0.450 234 K N 0.335 120.618 120.400 -0.194 0.000 2.063 234 K HA -0.156 4.169 4.320 0.008 0.000 0.208 234 K C 2.005 178.582 176.600 -0.038 0.000 1.048 234 K CA 1.921 58.168 56.287 -0.067 0.000 0.928 234 K CB -0.477 32.010 32.500 -0.022 0.000 0.713 234 K HN 0.603 nan 8.250 nan 0.000 0.442 235 V N -2.290 117.604 119.914 -0.034 0.000 3.541 235 V HA 0.042 4.167 4.120 0.008 0.000 0.267 235 V C 1.448 177.497 176.094 -0.074 0.000 1.213 235 V CA 1.098 63.374 62.300 -0.040 0.000 1.149 235 V CB 0.507 32.321 31.823 -0.016 0.000 0.822 235 V HN 0.032 nan 8.190 nan 0.000 0.462 236 S N -0.482 115.147 115.700 -0.119 0.000 2.524 236 S HA 0.282 4.756 4.470 0.008 0.000 0.216 236 S C 0.398 174.578 174.600 -0.700 0.000 0.987 236 S CA -0.022 57.985 58.200 -0.321 0.000 0.909 236 S CB -0.165 62.875 63.200 -0.267 0.000 0.781 236 S HN 0.821 nan 8.310 nan 0.000 0.521 237 H N -0.445 118.628 119.070 0.006 0.000 2.990 237 H HA 0.347 4.908 4.556 0.008 0.000 0.343 237 H C -3.107 172.080 175.328 -0.235 0.000 1.270 237 H CA -2.198 53.796 56.048 -0.089 0.000 1.118 237 H CB 0.088 29.895 29.762 0.074 0.000 1.861 237 H HN -0.161 nan 8.280 nan 0.000 0.544 238 P HA -0.041 nan 4.420 nan 0.000 0.261 238 P C 0.448 177.524 177.300 -0.373 0.000 1.173 238 P CA 0.561 63.324 63.100 -0.563 0.000 0.760 238 P CB 0.880 31.905 31.700 -1.125 0.000 0.783 239 E N 1.487 121.546 120.200 -0.235 0.000 2.118 239 E HA -0.210 4.144 4.350 0.008 0.000 0.195 239 E C 1.907 178.460 176.600 -0.078 0.000 0.992 239 E CA 2.108 58.440 56.400 -0.114 0.000 0.804 239 E CB -0.519 29.126 29.700 -0.091 0.000 0.741 239 E HN 0.527 nan 8.360 nan 0.000 0.458 240 S N 0.151 115.755 115.700 -0.159 0.000 2.419 240 S HA -0.177 4.298 4.470 0.008 0.000 0.235 240 S C 1.725 176.405 174.600 0.133 0.000 1.019 240 S CA 0.833 59.004 58.200 -0.049 0.000 0.982 240 S CB -0.508 62.638 63.200 -0.090 0.000 0.789 240 S HN 0.123 nan 8.310 nan 0.000 0.490 241 F N 3.228 123.229 119.950 0.085 0.000 2.216 241 F HA 0.054 4.585 4.527 0.008 0.000 0.300 241 F C 2.467 178.386 175.800 0.199 0.000 1.085 241 F CA 1.053 59.141 58.000 0.147 0.000 1.326 241 F CB -1.280 37.804 39.000 0.141 0.000 1.027 241 F HN 0.501 nan 8.300 nan 0.000 0.497 242 T N -3.687 111.055 114.554 0.313 0.000 3.252 242 T HA 0.219 4.574 4.350 0.008 0.000 0.286 242 T C 0.129 174.911 174.700 0.137 0.000 1.013 242 T CA -0.396 61.840 62.100 0.226 0.000 0.914 242 T CB -0.240 68.746 68.868 0.196 0.000 1.131 242 T HN -0.145 nan 8.240 nan 0.000 0.529 243 E N 1.350 121.622 120.200 0.120 0.000 2.465 243 E HA 0.419 4.774 4.350 0.008 0.000 0.260 243 E C 1.484 178.117 176.600 0.055 0.000 0.980 243 E CA 1.841 58.283 56.400 0.071 0.000 0.927 243 E CB -0.193 29.545 29.700 0.063 0.000 0.934 243 E HN 0.561 nan 8.360 nan 0.000 0.459 244 G N 2.962 111.778 108.800 0.028 0.000 2.195 244 G HA2 -0.252 3.713 3.960 0.008 0.000 0.246 244 G HA3 -0.252 3.713 3.960 0.008 0.000 0.246 244 G C -0.042 174.839 174.900 -0.032 0.000 0.984 244 G CA 0.178 45.284 45.100 0.009 0.000 0.633 244 G HN 0.410 nan 8.290 nan 0.000 0.525 245 L N 0.788 121.983 121.223 -0.047 0.000 2.334 245 L HA 0.797 5.141 4.340 0.008 0.000 0.273 245 L C 0.239 177.041 176.870 -0.113 0.000 1.013 245 L CA -0.756 53.987 54.840 -0.163 0.000 0.816 245 L CB 2.155 44.036 42.059 -0.297 0.000 1.278 245 L HN 0.170 nan 8.230 nan 0.000 0.431 246 S N 0.576 116.142 115.700 -0.224 0.000 2.513 246 S HA 0.622 5.097 4.470 0.008 0.000 0.299 246 S C -0.330 174.083 174.600 -0.312 0.000 1.087 246 S CA -0.397 57.729 58.200 -0.123 0.000 1.012 246 S CB 0.894 64.034 63.200 -0.101 0.000 1.044 246 S HN 0.475 nan 8.310 nan 0.000 0.485 247 F N 2.057 121.872 119.950 -0.225 0.000 2.729 247 F HA 0.443 4.974 4.527 0.008 0.000 0.315 247 F C 1.312 176.929 175.800 -0.305 0.000 1.102 247 F CA -0.362 57.475 58.000 -0.273 0.000 1.204 247 F CB 0.249 39.074 39.000 -0.292 0.000 1.052 247 F HN 0.710 nan 8.300 nan 0.000 0.551 248 A N 1.498 124.257 122.820 -0.102 0.000 2.587 248 A HA 0.099 4.424 4.320 0.008 0.000 0.235 248 A C -0.017 177.465 177.584 -0.170 0.000 1.044 248 A CA -0.264 51.678 52.037 -0.159 0.000 0.754 248 A CB -0.151 18.791 19.000 -0.097 0.000 0.968 248 A HN 0.348 nan 8.150 nan 0.000 0.509 249 L N 2.064 123.160 121.223 -0.213 0.000 2.513 249 L HA 0.225 4.570 4.340 0.008 0.000 0.272 249 L C -0.132 176.755 176.870 0.028 0.000 1.187 249 L CA 0.792 55.574 54.840 -0.096 0.000 0.895 249 L CB 0.339 42.269 42.059 -0.215 0.000 1.147 249 L HN 0.666 nan 8.230 nan 0.000 0.483 250 D N 3.773 124.285 120.400 0.187 0.000 2.346 250 D HA 0.147 4.792 4.640 0.008 0.000 0.255 250 D C 0.629 177.043 176.300 0.191 0.000 1.276 250 D CA -0.228 53.882 54.000 0.184 0.000 0.941 250 D CB 0.755 41.664 40.800 0.181 0.000 1.199 250 D HN 0.738 nan 8.370 nan 0.000 0.537 251 E N 1.512 121.782 120.200 0.116 0.000 2.097 251 E HA -0.220 4.135 4.350 0.008 0.000 0.196 251 E C 1.769 178.374 176.600 0.009 0.000 1.000 251 E CA 0.783 57.214 56.400 0.051 0.000 0.804 251 E CB 0.367 30.103 29.700 0.059 0.000 0.740 251 E HN 0.362 nan 8.360 nan 0.000 0.454 252 R N 1.185 121.705 120.500 0.033 0.000 2.073 252 R HA -0.146 4.199 4.340 0.008 0.000 0.234 252 R C 2.375 178.690 176.300 0.025 0.000 1.134 252 R CA 1.414 57.526 56.100 0.020 0.000 0.952 252 R CB -0.111 30.206 30.300 0.028 0.000 0.850 252 R HN 0.031 nan 8.270 nan 0.000 0.433 253 R N 0.324 120.870 120.500 0.076 0.000 2.096 253 R HA -0.141 4.204 4.340 0.008 0.000 0.235 253 R C 2.371 178.691 176.300 0.034 0.000 1.127 253 R CA 1.288 57.461 56.100 0.121 0.000 0.968 253 R CB -0.274 30.172 30.300 0.242 0.000 0.861 253 R HN 0.221 nan 8.270 nan 0.000 0.440 254 L N 1.076 122.200 121.223 -0.164 0.000 2.027 254 L HA -0.171 4.174 4.340 0.008 0.000 0.206 254 L C 2.282 179.003 176.870 -0.249 0.000 1.074 254 L CA 1.901 56.418 54.840 -0.539 0.000 0.745 254 L CB -0.719 40.885 42.059 -0.759 0.000 0.898 254 L HN 0.121 nan 8.230 nan 0.000 0.433 255 Q N 0.074 119.787 119.800 -0.146 0.000 2.096 255 Q HA -0.231 4.113 4.340 0.008 0.000 0.204 255 Q C 2.107 178.064 176.000 -0.072 0.000 0.982 255 Q CA 2.151 57.895 55.803 -0.099 0.000 0.850 255 Q CB -0.217 28.482 28.738 -0.065 0.000 0.901 255 Q HN 0.663 nan 8.270 nan 0.000 0.422 256 E N -0.641 119.535 120.200 -0.039 0.000 2.077 256 E HA -0.191 4.163 4.350 0.008 0.000 0.193 256 E C 1.861 178.466 176.600 0.009 0.000 0.989 256 E CA 0.940 57.337 56.400 -0.005 0.000 0.800 256 E CB -0.225 29.491 29.700 0.026 0.000 0.746 256 E HN 0.498 nan 8.360 nan 0.000 0.452 257 A N 0.869 123.699 122.820 0.017 0.000 1.902 257 A HA -0.142 4.183 4.320 0.008 0.000 0.217 257 A C 2.499 180.030 177.584 -0.089 0.000 1.181 257 A CA 1.153 53.239 52.037 0.083 0.000 0.623 257 A CB -0.653 18.426 19.000 0.133 0.000 0.818 257 A HN 0.112 nan 8.150 nan 0.000 0.443 258 V N 0.752 120.583 119.914 -0.138 0.000 2.295 258 V HA -0.262 3.863 4.120 0.008 0.000 0.246 258 V C 2.218 178.202 176.094 -0.183 0.000 1.049 258 V CA 2.366 64.551 62.300 -0.191 0.000 1.024 258 V CB -0.863 30.867 31.823 -0.155 0.000 0.648 258 V HN 0.504 nan 8.190 nan 0.000 0.447 259 D N -0.173 120.156 120.400 -0.118 0.000 2.104 259 D HA -0.191 4.454 4.640 0.008 0.000 0.194 259 D C 2.162 178.408 176.300 -0.090 0.000 0.994 259 D CA 1.455 55.400 54.000 -0.091 0.000 0.830 259 D CB -0.249 40.519 40.800 -0.054 0.000 0.959 259 D HN 0.395 nan 8.370 nan 0.000 0.452 260 K N 0.493 120.854 120.400 -0.064 0.000 2.057 260 K HA -0.097 4.228 4.320 0.008 0.000 0.207 260 K C 2.027 178.566 176.600 -0.101 0.000 1.049 260 K CA 1.207 57.489 56.287 -0.009 0.000 0.931 260 K CB -0.039 32.540 32.500 0.133 0.000 0.714 260 K HN 0.033 nan 8.250 nan 0.000 0.440 261 A N 1.454 124.026 122.820 -0.413 0.000 1.908 261 A HA -0.177 4.147 4.320 0.008 0.000 0.218 261 A C 2.071 179.492 177.584 -0.270 0.000 1.181 261 A CA 1.470 53.122 52.037 -0.643 0.000 0.627 261 A CB -0.460 17.904 19.000 -1.060 0.000 0.818 261 A HN 0.311 nan 8.150 nan 0.000 0.445 262 R N -0.720 119.651 120.500 -0.215 0.000 2.092 262 R HA -0.053 4.291 4.340 0.008 0.000 0.231 262 R C 2.430 178.675 176.300 -0.092 0.000 1.119 262 R CA 1.120 57.135 56.100 -0.142 0.000 0.970 262 R CB -0.439 29.781 30.300 -0.134 0.000 0.864 262 R HN 0.515 nan 8.270 nan 0.000 0.440 263 A N 1.121 123.898 122.820 -0.073 0.000 2.019 263 A HA -0.152 4.172 4.320 0.008 0.000 0.219 263 A C 1.700 179.272 177.584 -0.020 0.000 1.164 263 A CA 1.147 53.161 52.037 -0.037 0.000 0.644 263 A CB -0.196 18.791 19.000 -0.021 0.000 0.805 263 A HN 0.286 nan 8.150 nan 0.000 0.449 264 E N -1.780 118.411 120.200 -0.014 0.000 2.482 264 E HA 0.174 4.529 4.350 0.008 0.000 0.196 264 E C 1.104 177.703 176.600 -0.001 0.000 1.047 264 E CA 0.383 56.792 56.400 0.014 0.000 0.869 264 E CB -0.045 29.695 29.700 0.066 0.000 0.836 264 E HN 0.744 nan 8.360 nan 0.000 0.520 265 G N 0.645 109.429 108.800 -0.026 0.000 2.192 265 G HA2 -0.210 3.755 3.960 0.008 0.000 0.193 265 G HA3 -0.210 3.755 3.960 0.008 0.000 0.193 265 G C 0.280 175.160 174.900 -0.034 0.000 0.999 265 G CA -0.164 44.921 45.100 -0.025 0.000 0.659 265 G HN 0.375 nan 8.290 nan 0.000 0.503 266 A N 0.120 122.904 122.820 -0.060 0.000 2.492 266 A HA 0.600 4.925 4.320 0.008 0.000 0.254 266 A C 1.042 178.571 177.584 -0.093 0.000 1.091 266 A CA 1.079 53.075 52.037 -0.070 0.000 0.768 266 A CB -0.003 18.924 19.000 -0.122 0.000 1.028 266 A HN 0.485 nan 8.150 nan 0.000 0.498 267 N N 1.288 119.944 118.700 -0.074 0.000 2.336 267 N HA 0.271 5.016 4.740 0.008 0.000 0.177 267 N C 0.408 175.797 175.510 -0.203 0.000 1.018 267 N CA 1.047 54.011 53.050 -0.142 0.000 0.878 267 N CB 0.153 38.600 38.487 -0.066 0.000 0.997 267 N HN 0.765 nan 8.380 nan 0.000 0.433 268 A N 0.224 122.965 122.820 -0.131 0.000 2.413 268 A HA 0.706 5.031 4.320 0.008 0.000 0.307 268 A C -1.214 176.319 177.584 -0.085 0.000 1.087 268 A CA -0.515 51.453 52.037 -0.116 0.000 0.750 268 A CB 1.548 20.497 19.000 -0.086 0.000 1.296 268 A HN -0.100 nan 8.150 nan 0.000 0.423 269 V N 1.668 121.535 119.914 -0.079 0.000 2.531 269 V HA 0.518 4.643 4.120 0.008 0.000 0.301 269 V C -0.662 175.403 176.094 -0.050 0.000 1.034 269 V CA -0.509 61.742 62.300 -0.081 0.000 0.865 269 V CB 1.595 33.347 31.823 -0.117 0.000 0.995 269 V HN 0.690 nan 8.190 nan 0.000 0.424 270 V N 5.716 125.604 119.914 -0.043 0.000 2.495 270 V HA 0.481 4.606 4.120 0.008 0.000 0.298 270 V C -0.465 175.598 176.094 -0.052 0.000 1.031 270 V CA -0.665 61.612 62.300 -0.039 0.000 0.871 270 V CB 1.825 33.627 31.823 -0.036 0.000 0.988 270 V HN 0.676 nan 8.190 nan 0.000 0.432 271 L N 6.054 127.245 121.223 -0.053 0.000 2.257 271 L HA 0.557 4.902 4.340 0.008 0.000 0.290 271 L C -0.572 176.262 176.870 -0.060 0.000 1.044 271 L CA -0.251 54.561 54.840 -0.047 0.000 0.810 271 L CB 1.150 43.185 42.059 -0.039 0.000 1.193 271 L HN 0.642 nan 8.230 nan 0.000 0.425 272 L N 5.037 126.225 121.223 -0.058 0.000 2.295 272 L HA 0.485 4.830 4.340 0.008 0.000 0.288 272 L C -0.092 176.783 176.870 0.010 0.000 1.079 272 L CA 0.719 55.516 54.840 -0.071 0.000 0.830 272 L CB 0.588 42.606 42.059 -0.068 0.000 1.200 272 L HN 0.719 nan 8.230 nan 0.000 0.438 273 S N 3.198 118.925 115.700 0.045 0.000 2.532 273 S HA 0.433 4.907 4.470 0.008 0.000 0.301 273 S C -0.203 174.510 174.600 0.188 0.000 1.083 273 S CA -0.416 57.855 58.200 0.118 0.000 1.025 273 S CB 0.758 64.018 63.200 0.099 0.000 1.056 273 S HN 0.803 nan 8.310 nan 0.000 0.494 274 H N 2.866 122.038 119.070 0.169 0.000 2.549 274 H HA 0.470 5.031 4.556 0.008 0.000 0.253 274 H C 0.810 176.283 175.328 0.241 0.000 1.170 274 H CA -0.202 55.982 56.048 0.228 0.000 0.943 274 H CB 0.040 29.936 29.762 0.225 0.000 1.849 274 H HN 0.501 nan 8.280 nan 0.000 0.603 275 N N 0.523 119.363 118.700 0.233 0.000 2.300 275 N HA 0.076 4.821 4.740 0.008 0.000 0.179 275 N C 0.506 176.178 175.510 0.271 0.000 1.016 275 N CA 1.290 54.466 53.050 0.210 0.000 0.876 275 N CB 0.493 39.060 38.487 0.133 0.000 0.979 275 N HN 0.569 nan 8.380 nan 0.000 0.432 276 G N 0.313 109.285 108.800 0.286 0.000 2.906 276 G HA2 -0.174 3.791 3.960 0.008 0.000 0.686 276 G HA3 -0.174 3.791 3.960 0.008 0.000 0.686 276 G C 0.456 175.512 174.900 0.261 0.000 1.170 276 G CA -0.046 45.285 45.100 0.384 0.000 0.775 276 G HN 0.109 nan 8.290 nan 0.000 0.630 277 M N 0.674 120.418 119.600 0.239 0.000 2.213 277 M HA -0.120 4.365 4.480 0.008 0.000 0.263 277 M C 2.557 179.044 176.300 0.312 0.000 1.062 277 M CA 2.041 57.502 55.300 0.268 0.000 1.105 277 M CB -0.129 32.646 32.600 0.292 0.000 1.385 277 M HN 0.661 nan 8.290 nan 0.000 0.417 278 Q N -0.092 119.886 119.800 0.296 0.000 2.123 278 Q HA -0.132 4.213 4.340 0.008 0.000 0.199 278 Q C 2.034 178.177 176.000 0.239 0.000 0.966 278 Q CA 1.160 57.160 55.803 0.328 0.000 0.845 278 Q CB -0.766 28.172 28.738 0.334 0.000 0.907 278 Q HN 0.472 nan 8.270 nan 0.000 0.439 279 L N 1.647 122.989 121.223 0.199 0.000 2.093 279 L HA -0.125 4.220 4.340 0.008 0.000 0.208 279 L C 1.406 178.344 176.870 0.114 0.000 1.085 279 L CA 1.834 56.751 54.840 0.129 0.000 0.755 279 L CB -0.631 41.479 42.059 0.086 0.000 0.904 279 L HN 0.004 nan 8.230 nan 0.000 0.435 280 D N 0.069 120.542 120.400 0.121 0.000 2.123 280 D HA -0.165 4.480 4.640 0.008 0.000 0.196 280 D C 2.190 178.496 176.300 0.009 0.000 0.992 280 D CA 1.583 55.628 54.000 0.075 0.000 0.833 280 D CB -0.130 40.728 40.800 0.097 0.000 0.954 280 D HN 0.498 nan 8.370 nan 0.000 0.455 281 A N 0.982 123.792 122.820 -0.017 0.000 1.933 281 A HA -0.037 4.288 4.320 0.008 0.000 0.218 281 A C 2.316 179.855 177.584 -0.076 0.000 1.175 281 A CA 2.137 54.055 52.037 -0.199 0.000 0.628 281 A CB -0.630 18.159 19.000 -0.352 0.000 0.814 281 A HN 0.237 nan 8.150 nan 0.000 0.444 282 A N -0.258 122.598 122.820 0.060 0.000 1.902 282 A HA -0.020 4.304 4.320 0.008 0.000 0.217 282 A C 2.136 179.777 177.584 0.094 0.000 1.181 282 A CA 1.439 53.550 52.037 0.124 0.000 0.623 282 A CB -0.575 18.602 19.000 0.294 0.000 0.818 282 A HN 0.470 nan 8.150 nan 0.000 0.443 283 L N -0.794 120.487 121.223 0.098 0.000 2.141 283 L HA -0.166 4.179 4.340 0.008 0.000 0.209 283 L C 2.968 179.825 176.870 -0.022 0.000 1.094 283 L CA 0.878 55.752 54.840 0.057 0.000 0.763 283 L CB -0.462 41.627 42.059 0.050 0.000 0.908 283 L HN 0.432 nan 8.230 nan 0.000 0.437 284 A N -0.366 122.418 122.820 -0.059 0.000 2.125 284 A HA -0.174 4.151 4.320 0.008 0.000 0.219 284 A C 2.004 179.527 177.584 -0.102 0.000 1.156 284 A CA 1.354 53.330 52.037 -0.102 0.000 0.671 284 A CB -0.295 18.606 19.000 -0.165 0.000 0.794 284 A HN 0.484 nan 8.150 nan 0.000 0.459 285 E N -1.433 118.717 120.200 -0.082 0.000 2.474 285 E HA 0.068 4.422 4.350 0.008 0.000 0.195 285 E C 1.606 178.164 176.600 -0.071 0.000 1.039 285 E CA 0.018 56.372 56.400 -0.077 0.000 0.881 285 E CB 0.264 29.925 29.700 -0.065 0.000 0.970 285 E HN 0.571 nan 8.360 nan 0.000 0.486 286 R N -0.169 120.292 120.500 -0.066 0.000 2.310 286 R HA 0.205 4.550 4.340 0.008 0.000 0.199 286 R C 0.367 176.628 176.300 -0.065 0.000 0.891 286 R CA 0.031 56.087 56.100 -0.074 0.000 1.060 286 R CB 1.022 31.265 30.300 -0.095 0.000 1.188 286 R HN -0.034 nan 8.270 nan 0.000 0.607 287 I N 3.093 123.626 120.570 -0.062 0.000 2.353 287 I HA 0.236 4.410 4.170 0.008 0.000 0.293 287 I C -0.042 176.032 176.117 -0.072 0.000 0.992 287 I CA -0.685 60.573 61.300 -0.070 0.000 1.268 287 I CB 1.353 39.304 38.000 -0.082 0.000 1.387 287 I HN 0.098 nan 8.210 nan 0.000 0.478 288 R N 3.243 123.701 120.500 -0.070 0.000 2.428 288 R HA 0.689 5.034 4.340 0.008 0.000 0.294 288 R C 0.707 176.962 176.300 -0.074 0.000 1.000 288 R CA -0.386 55.674 56.100 -0.066 0.000 0.960 288 R CB 0.718 30.985 30.300 -0.055 0.000 1.076 288 R HN 0.873 nan 8.270 nan 0.000 0.475 289 G N 1.662 110.420 108.800 -0.071 0.000 2.159 289 G HA2 -0.231 3.734 3.960 0.008 0.000 0.227 289 G HA3 -0.231 3.734 3.960 0.008 0.000 0.227 289 G C -0.032 174.817 174.900 -0.086 0.000 0.986 289 G CA -0.371 44.680 45.100 -0.081 0.000 0.651 289 G HN 0.535 nan 8.290 nan 0.000 0.523 290 I N 1.644 122.167 120.570 -0.078 0.000 2.304 290 I HA 0.285 4.460 4.170 0.008 0.000 0.291 290 I C 0.580 176.671 176.117 -0.044 0.000 1.018 290 I CA -0.736 60.522 61.300 -0.070 0.000 1.260 290 I CB 1.117 39.073 38.000 -0.073 0.000 1.390 290 I HN -0.061 nan 8.210 nan 0.000 0.475 291 D N 5.260 125.649 120.400 -0.018 0.000 2.240 291 D HA 0.105 4.750 4.640 0.008 0.000 0.206 291 D C 0.097 176.460 176.300 0.104 0.000 0.963 291 D CA 0.988 55.011 54.000 0.038 0.000 0.863 291 D CB 0.717 41.549 40.800 0.053 0.000 0.973 291 D HN 0.223 nan 8.370 nan 0.000 0.501 292 L N 0.383 121.648 121.223 0.071 0.000 2.513 292 L HA 0.423 4.767 4.340 0.008 0.000 0.261 292 L C -1.886 175.002 176.870 0.029 0.000 0.945 292 L CA -0.565 54.337 54.840 0.104 0.000 0.848 292 L CB 2.381 44.499 42.059 0.098 0.000 1.334 292 L HN -0.241 nan 8.230 nan 0.000 0.407 293 I N 5.318 125.910 120.570 0.038 0.000 2.433 293 I HA 0.406 4.581 4.170 0.008 0.000 0.292 293 I C -0.857 175.245 176.117 -0.025 0.000 1.001 293 I CA -0.609 60.691 61.300 -0.001 0.000 1.119 293 I CB 1.867 39.878 38.000 0.018 0.000 1.289 293 I HN 0.453 nan 8.210 nan 0.000 0.438 294 L N 5.737 126.874 121.223 -0.144 0.000 2.264 294 L HA 0.364 4.709 4.340 0.008 0.000 0.287 294 L C -0.186 176.628 176.870 -0.093 0.000 1.039 294 L CA -0.193 54.431 54.840 -0.360 0.000 0.829 294 L CB 0.970 42.438 42.059 -0.983 0.000 1.211 294 L HN 0.563 nan 8.230 nan 0.000 0.427 295 S N 2.006 117.789 115.700 0.138 0.000 2.410 295 S HA 0.522 4.997 4.470 0.008 0.000 0.304 295 S C 0.576 175.337 174.600 0.268 0.000 1.095 295 S CA -0.573 57.749 58.200 0.203 0.000 1.089 295 S CB 1.470 64.798 63.200 0.212 0.000 0.968 295 S HN 0.747 nan 8.310 nan 0.000 0.480 296 G N 0.527 109.441 108.800 0.190 0.000 2.606 296 G HA2 0.473 4.437 3.960 0.008 0.000 0.262 296 G HA3 0.473 4.437 3.960 0.008 0.000 0.262 296 G C 0.294 175.171 174.900 -0.039 0.000 1.394 296 G CA -0.031 45.115 45.100 0.076 0.000 1.044 296 G HN 0.847 nan 8.290 nan 0.000 0.553 297 H N -2.238 116.611 119.070 -0.368 0.000 4.844 297 H HA -0.331 4.230 4.556 0.008 0.000 0.071 297 H C 1.901 177.302 175.328 0.121 0.000 0.589 297 H CA 3.776 59.717 56.048 -0.179 0.000 1.006 297 H CB -1.536 28.072 29.762 -0.257 0.000 0.443 297 H HN 0.751 nan 8.280 nan 0.000 0.779 298 T N -1.891 112.656 114.554 -0.011 0.000 3.129 298 T HA 0.095 4.449 4.350 0.008 0.000 0.251 298 T C 0.652 175.374 174.700 0.038 0.000 1.117 298 T CA 0.759 62.799 62.100 -0.101 0.000 1.034 298 T CB -0.459 68.403 68.868 -0.009 0.000 0.968 298 T HN 0.838 nan 8.240 nan 0.000 0.526 299 H N 1.055 120.132 119.070 0.012 0.000 2.820 299 H HA -0.111 4.450 4.556 0.008 0.000 0.295 299 H C -0.706 174.629 175.328 0.011 0.000 1.187 299 H CA 0.097 56.175 56.048 0.049 0.000 1.144 299 H CB -1.501 28.308 29.762 0.077 0.000 1.354 299 H HN 0.509 nan 8.280 nan 0.000 0.395 300 D N 0.672 121.145 120.400 0.121 0.000 2.383 300 D HA 0.460 5.105 4.640 0.008 0.000 0.248 300 D C 0.695 177.016 176.300 0.035 0.000 1.170 300 D CA -0.167 53.864 54.000 0.051 0.000 0.977 300 D CB 1.520 42.347 40.800 0.045 0.000 1.120 300 D HN 0.126 nan 8.370 nan 0.000 0.481 301 L N 0.252 121.468 121.223 -0.012 0.000 2.385 301 L HA 0.318 4.662 4.340 0.008 0.000 0.273 301 L C -0.339 176.448 176.870 -0.138 0.000 0.990 301 L CA -0.476 54.327 54.840 -0.062 0.000 0.821 301 L CB 2.146 44.147 42.059 -0.096 0.000 1.279 301 L HN 0.406 nan 8.230 nan 0.000 0.412 302 T N -0.774 113.693 114.554 -0.145 0.000 3.141 302 T HA 0.329 4.684 4.350 0.008 0.000 0.377 302 T C -2.370 172.155 174.700 -0.290 0.000 1.258 302 T CA -1.637 60.333 62.100 -0.217 0.000 1.263 302 T CB 1.277 70.207 68.868 0.103 0.000 1.066 302 T HN 0.198 nan 8.240 nan 0.000 0.546 303 P HA -0.004 nan 4.420 nan 0.000 0.219 303 P C 0.280 177.523 177.300 -0.096 0.000 1.146 303 P CA 0.854 63.759 63.100 -0.325 0.000 0.808 303 P CB 0.243 31.712 31.700 -0.386 0.000 0.779 304 R N -0.547 119.983 120.500 0.049 0.000 2.686 304 R HA 0.391 4.736 4.340 0.008 0.000 0.286 304 R C -2.597 173.876 176.300 0.288 0.000 0.969 304 R CA -2.400 53.820 56.100 0.201 0.000 0.898 304 R CB 1.351 31.854 30.300 0.339 0.000 1.183 304 R HN -0.057 nan 8.270 nan 0.000 0.456 305 P HA -0.055 nan 4.420 nan 0.000 0.271 305 P C -0.955 176.726 177.300 0.635 0.000 1.218 305 P CA -0.249 63.065 63.100 0.356 0.000 0.780 305 P CB 0.659 32.465 31.700 0.177 0.000 0.901 306 W N 4.706 126.255 121.300 0.414 0.000 2.331 306 W HA 0.377 5.042 4.660 0.007 0.000 0.306 306 W C -0.135 176.576 176.519 0.319 0.000 1.162 306 W CA -1.209 56.354 57.345 0.364 0.000 1.232 306 W CB 0.222 29.846 29.460 0.274 0.000 1.235 306 W HN 0.257 nan 8.180 nan 0.000 0.479 307 R N 4.671 125.401 120.500 0.384 0.000 2.202 307 R HA 0.536 4.881 4.340 0.008 0.000 0.334 307 R C -1.690 174.431 176.300 -0.299 0.000 1.036 307 R CA -0.148 55.852 56.100 -0.167 0.000 0.878 307 R CB 0.465 30.566 30.300 -0.331 0.000 1.067 307 R HN 0.237 nan 8.270 nan 0.000 0.457 308 V N 5.584 125.240 119.914 -0.431 0.000 2.525 308 V HA 0.619 4.744 4.120 0.008 0.000 0.299 308 V C 0.948 176.862 176.094 -0.299 0.000 1.034 308 V CA 0.033 62.080 62.300 -0.422 0.000 0.863 308 V CB 1.042 32.487 31.823 -0.631 0.000 0.999 308 V HN 1.034 nan 8.190 nan 0.000 0.423 309 G N 5.432 114.102 108.800 -0.216 0.000 2.591 309 G HA2 -0.249 3.715 3.960 0.008 0.000 0.298 309 G HA3 -0.249 3.715 3.960 0.008 0.000 0.298 309 G C 0.407 175.182 174.900 -0.208 0.000 1.195 309 G CA 0.489 45.485 45.100 -0.173 0.000 0.989 309 G HN 0.613 nan 8.290 nan 0.000 0.551 310 K N 1.856 122.144 120.400 -0.187 0.000 2.576 310 K HA 0.382 4.707 4.320 0.008 0.000 0.209 310 K C 0.135 176.592 176.600 -0.237 0.000 1.049 310 K CA 0.357 56.526 56.287 -0.196 0.000 1.140 310 K CB 0.538 32.975 32.500 -0.104 0.000 0.871 310 K HN 0.479 nan 8.250 nan 0.000 0.479 311 T N -0.068 114.305 114.554 -0.300 0.000 2.876 311 T HA 0.434 4.789 4.350 0.008 0.000 0.289 311 T C -0.738 173.781 174.700 -0.302 0.000 1.014 311 T CA -0.590 61.369 62.100 -0.235 0.000 0.986 311 T CB 1.330 70.110 68.868 -0.146 0.000 1.021 311 T HN 0.120 nan 8.240 nan 0.000 0.458 312 W N 2.123 123.421 121.300 -0.004 0.000 2.438 312 W HA 0.702 5.368 4.660 0.010 0.000 0.324 312 W C -0.240 176.298 176.519 0.032 0.000 1.119 312 W CA -0.820 56.545 57.345 0.032 0.000 1.221 312 W CB 0.797 30.289 29.460 0.054 0.000 1.253 312 W HN 0.345 nan 8.180 nan 0.000 0.555 313 I N 3.408 124.198 120.570 0.367 0.000 2.466 313 I HA 0.403 4.578 4.170 0.008 0.000 0.289 313 I C -0.839 175.480 176.117 0.336 0.000 1.026 313 I CA -1.140 60.329 61.300 0.281 0.000 1.078 313 I CB 1.550 39.693 38.000 0.240 0.000 1.249 313 I HN -0.044 nan 8.210 nan 0.000 0.429 314 V N 5.171 125.228 119.914 0.239 0.000 2.531 314 V HA 0.611 4.736 4.120 0.008 0.000 0.301 314 V C 0.289 176.549 176.094 0.276 0.000 1.034 314 V CA -0.575 61.864 62.300 0.230 0.000 0.865 314 V CB 1.735 33.658 31.823 0.168 0.000 0.995 314 V HN 0.847 nan 8.190 nan 0.000 0.424 315 A N 3.254 126.238 122.820 0.273 0.000 2.304 315 A HA 0.679 5.003 4.320 0.008 0.000 0.271 315 A C 1.261 179.035 177.584 0.317 0.000 1.091 315 A CA 0.274 52.481 52.037 0.285 0.000 0.812 315 A CB 0.811 19.920 19.000 0.182 0.000 1.056 315 A HN 1.145 nan 8.150 nan 0.000 0.489 316 G N -0.475 108.466 108.800 0.234 0.000 3.189 316 G HA2 0.372 4.337 3.960 0.008 0.000 0.225 316 G HA3 0.372 4.337 3.960 0.008 0.000 0.225 316 G C 0.667 175.484 174.900 -0.139 0.000 1.159 316 G CA 1.087 46.068 45.100 -0.199 0.000 0.763 316 G HN 1.574 nan 8.290 nan 0.000 0.549 317 S N -1.551 114.144 115.700 -0.009 0.000 3.525 317 S HA 0.077 4.552 4.470 0.008 0.000 0.629 317 S C 0.256 174.834 174.600 -0.037 0.000 2.621 317 S CA 1.356 59.556 58.200 -0.001 0.000 3.752 317 S CB -1.170 62.023 63.200 -0.012 0.000 0.260 317 S HN 2.126 nan 8.310 nan 0.000 1.214 318 A N -0.775 122.033 122.820 -0.020 0.000 2.567 318 A HA 0.845 5.170 4.320 0.008 0.000 0.291 318 A C 0.499 178.117 177.584 0.057 0.000 1.048 318 A CA 0.845 52.837 52.037 -0.075 0.000 0.661 318 A CB -0.105 18.704 19.000 -0.319 0.000 1.288 318 A HN 2.648 nan 8.150 nan 0.000 0.424 319 A N -0.714 122.114 122.820 0.013 0.000 2.816 319 A HA 0.306 4.631 4.320 0.008 0.000 0.270 319 A C 2.029 179.646 177.584 0.056 0.000 1.413 319 A CA 2.300 54.339 52.037 0.003 0.000 0.866 319 A CB -1.922 17.015 19.000 -0.104 0.000 1.032 319 A HN 3.194 nan 8.150 nan 0.000 0.642 320 G N -1.208 107.592 108.800 -0.000 0.000 2.148 320 G HA2 -0.383 3.582 3.960 0.008 0.000 0.254 320 G HA3 -0.383 3.582 3.960 0.008 0.000 0.254 320 G C 0.784 175.668 174.900 -0.027 0.000 0.981 320 G CA 1.508 46.575 45.100 -0.055 0.000 0.670 320 G HN 1.628 nan 8.290 nan 0.000 0.528 321 K N 0.191 120.596 120.400 0.008 0.000 2.103 321 K HA 0.321 4.646 4.320 0.008 0.000 0.207 321 K C 1.158 177.752 176.600 -0.010 0.000 1.048 321 K CA 1.815 58.097 56.287 -0.007 0.000 0.930 321 K CB -0.131 32.377 32.500 0.013 0.000 0.716 321 K HN 1.283 nan 8.250 nan 0.000 0.444 322 A N 0.487 123.307 122.820 -0.001 0.000 2.572 322 A HA 0.538 4.863 4.320 0.008 0.000 0.295 322 A C -1.911 175.691 177.584 0.029 0.000 1.072 322 A CA -0.846 51.198 52.037 0.011 0.000 0.691 322 A CB 1.520 20.519 19.000 -0.002 0.000 1.291 322 A HN 0.183 nan 8.150 nan 0.000 0.404 323 L N 1.526 122.780 121.223 0.051 0.000 2.305 323 L HA 0.774 5.119 4.340 0.008 0.000 0.284 323 L C -0.818 176.107 176.870 0.092 0.000 1.013 323 L CA -0.403 54.488 54.840 0.085 0.000 0.819 323 L CB 1.182 43.288 42.059 0.079 0.000 1.227 323 L HN 0.698 nan 8.230 nan 0.000 0.417 324 M N 5.284 124.950 119.600 0.110 0.000 2.108 324 M HA 0.416 4.901 4.480 0.008 0.000 0.354 324 M C -0.253 176.137 176.300 0.150 0.000 1.229 324 M CA 0.232 55.611 55.300 0.132 0.000 1.081 324 M CB 0.807 33.532 32.600 0.209 0.000 1.606 324 M HN 0.470 nan 8.290 nan 0.000 0.467 325 R N 3.000 123.557 120.500 0.095 0.000 2.229 325 R HA 0.647 4.992 4.340 0.008 0.000 0.332 325 R C -1.708 174.615 176.300 0.039 0.000 0.989 325 R CA -0.356 55.790 56.100 0.076 0.000 0.842 325 R CB 0.742 31.078 30.300 0.060 0.000 1.119 325 R HN 0.560 nan 8.270 nan 0.000 0.456 326 V N 5.161 125.101 119.914 0.043 0.000 2.326 326 V HA 0.234 4.359 4.120 0.008 0.000 0.281 326 V C -0.677 175.418 176.094 0.002 0.000 1.015 326 V CA -0.855 61.444 62.300 -0.001 0.000 0.823 326 V CB 1.467 33.295 31.823 0.008 0.000 1.009 326 V HN 0.787 nan 8.190 nan 0.000 0.436 327 D N 5.606 125.991 120.400 -0.025 0.000 2.232 327 D HA 0.543 5.187 4.640 0.008 0.000 0.242 327 D C -0.440 175.927 176.300 0.112 0.000 1.093 327 D CA -0.093 53.945 54.000 0.063 0.000 0.845 327 D CB 2.568 43.438 40.800 0.116 0.000 1.124 327 D HN 0.326 nan 8.370 nan 0.000 0.467 328 L N 1.861 123.163 121.223 0.132 0.000 2.322 328 L HA 0.371 4.716 4.340 0.008 0.000 0.281 328 L C 0.096 177.031 176.870 0.109 0.000 1.014 328 L CA -1.022 53.889 54.840 0.117 0.000 0.815 328 L CB 1.622 43.710 42.059 0.048 0.000 1.247 328 L HN 0.011 nan 8.230 nan 0.000 0.421 329 K N 3.827 124.293 120.400 0.109 0.000 2.263 329 K HA 0.571 4.896 4.320 0.008 0.000 0.272 329 K C -0.996 175.583 176.600 -0.035 0.000 1.033 329 K CA -0.156 56.125 56.287 -0.009 0.000 0.884 329 K CB 0.585 33.053 32.500 -0.053 0.000 1.107 329 K HN 0.462 nan 8.250 nan 0.000 0.460 330 L N 4.321 125.409 121.223 -0.226 0.000 2.416 330 L HA 0.639 4.984 4.340 0.008 0.000 0.262 330 L C 0.040 176.723 176.870 -0.312 0.000 1.093 330 L CA -0.976 53.656 54.840 -0.346 0.000 0.801 330 L CB 0.770 42.412 42.059 -0.695 0.000 1.191 330 L HN 0.699 nan 8.230 nan 0.000 0.459 331 W N 0.777 121.886 121.300 -0.317 0.000 3.040 331 W HA 0.356 5.021 4.660 0.007 0.000 0.344 331 W C 0.393 176.925 176.519 0.021 0.000 1.201 331 W CA -1.019 56.264 57.345 -0.102 0.000 1.119 331 W CB 1.340 30.791 29.460 -0.014 0.000 1.478 331 W HN 0.561 nan 8.180 nan 0.000 0.586 332 K N 0.686 121.159 120.400 0.121 0.000 2.127 332 K HA -0.108 4.217 4.320 0.008 0.000 0.208 332 K C 1.418 177.626 176.600 -0.653 0.000 1.047 332 K CA 2.675 58.885 56.287 -0.129 0.000 0.927 332 K CB -0.753 31.781 32.500 0.057 0.000 0.716 332 K HN 0.638 nan 8.250 nan 0.000 0.450 333 G N -0.990 106.748 108.800 -1.769 0.000 3.277 333 G HA2 0.499 4.463 3.960 0.008 0.000 0.243 333 G HA3 0.499 4.463 3.960 0.008 0.000 0.243 333 G C 0.213 174.380 174.900 -1.222 0.000 1.107 333 G CA -0.079 44.062 45.100 -1.597 0.000 0.771 333 G HN 0.691 nan 8.290 nan 0.000 0.544 334 G N -0.179 107.892 108.800 -1.216 0.000 2.441 334 G HA2 0.213 4.178 3.960 0.008 0.000 0.222 334 G HA3 0.213 4.178 3.960 0.008 0.000 0.222 334 G C -1.535 173.295 174.900 -0.117 0.000 1.254 334 G CA -0.933 43.915 45.100 -0.420 0.000 0.959 334 G HN 0.198 nan 8.290 nan 0.000 0.474 335 I N 2.195 122.874 120.570 0.181 0.000 2.312 335 I HA 0.487 4.662 4.170 0.008 0.000 0.290 335 I C 1.429 177.798 176.117 0.420 0.000 1.008 335 I CA -0.109 61.342 61.300 0.253 0.000 1.226 335 I CB 1.721 39.854 38.000 0.222 0.000 1.371 335 I HN 0.730 nan 8.210 nan 0.000 0.468 336 A N 5.436 128.493 122.820 0.394 0.000 1.898 336 A HA 0.045 4.370 4.320 0.008 0.000 0.214 336 A C 0.944 178.638 177.584 0.183 0.000 1.183 336 A CA 1.325 53.495 52.037 0.222 0.000 0.622 336 A CB -0.030 19.022 19.000 0.088 0.000 0.824 336 A HN 0.712 nan 8.150 nan 0.000 0.444 337 N N -1.991 116.814 118.700 0.176 0.000 3.046 337 N HA 0.562 5.307 4.740 0.008 0.000 0.243 337 N C -1.593 173.999 175.510 0.136 0.000 1.452 337 N CA -0.216 52.929 53.050 0.159 0.000 0.882 337 N CB 1.532 40.124 38.487 0.175 0.000 1.425 337 N HN 0.458 nan 8.380 nan 0.000 0.517 338 L N -1.640 119.562 121.223 -0.035 0.000 2.540 338 L HA 0.731 5.076 4.340 0.008 0.000 0.256 338 L C -1.151 175.457 176.870 -0.437 0.000 1.001 338 L CA -0.908 53.837 54.840 -0.158 0.000 0.843 338 L CB 2.669 44.556 42.059 -0.287 0.000 1.436 338 L HN 0.494 nan 8.230 nan 0.000 0.410 339 R N 1.653 121.804 120.500 -0.582 0.000 2.480 339 R HA 0.784 5.128 4.340 0.008 0.000 0.306 339 R C -1.959 174.144 176.300 -0.327 0.000 0.958 339 R CA -0.515 55.218 56.100 -0.612 0.000 0.861 339 R CB 2.277 31.998 30.300 -0.965 0.000 1.171 339 R HN 0.657 nan 8.270 nan 0.000 0.445 340 V N 5.201 124.971 119.914 -0.238 0.000 2.495 340 V HA 0.610 4.735 4.120 0.008 0.000 0.298 340 V C -0.410 175.628 176.094 -0.094 0.000 1.031 340 V CA -0.849 61.373 62.300 -0.130 0.000 0.871 340 V CB 1.742 33.506 31.823 -0.099 0.000 0.988 340 V HN 0.677 nan 8.190 nan 0.000 0.432 341 R N 3.112 123.580 120.500 -0.052 0.000 2.538 341 R HA 0.494 4.838 4.340 0.008 0.000 0.292 341 R C -1.304 174.991 176.300 -0.008 0.000 1.008 341 R CA -0.685 55.392 56.100 -0.039 0.000 0.896 341 R CB 2.108 32.388 30.300 -0.033 0.000 1.187 341 R HN 0.463 nan 8.270 nan 0.000 0.440 342 V N 5.483 125.381 119.914 -0.026 0.000 2.389 342 V HA 0.255 4.380 4.120 0.008 0.000 0.264 342 V C 0.465 176.558 176.094 -0.001 0.000 1.049 342 V CA -0.326 61.965 62.300 -0.015 0.000 0.932 342 V CB 0.718 32.507 31.823 -0.057 0.000 1.011 342 V HN 0.440 nan 8.190 nan 0.000 0.475 343 L N 8.456 129.711 121.223 0.054 0.000 2.255 343 L HA 0.406 4.751 4.340 0.008 0.000 0.289 343 L C -2.368 174.592 176.870 0.150 0.000 1.046 343 L CA -1.816 53.105 54.840 0.134 0.000 0.816 343 L CB 1.278 43.474 42.059 0.229 0.000 1.197 343 L HN 0.390 nan 8.230 nan 0.000 0.427 344 P HA 0.018 nan 4.420 nan 0.000 0.271 344 P C -0.344 177.066 177.300 0.185 0.000 1.220 344 P CA -0.170 62.989 63.100 0.098 0.000 0.768 344 P CB 0.856 32.568 31.700 0.019 0.000 0.848 345 V N 5.847 125.815 119.914 0.091 0.000 2.267 345 V HA 0.125 4.249 4.120 0.008 0.000 0.254 345 V C 0.352 176.498 176.094 0.088 0.000 1.144 345 V CA 0.120 62.455 62.300 0.060 0.000 0.992 345 V CB -0.752 31.067 31.823 -0.006 0.000 1.199 345 V HN 0.391 nan 8.190 nan 0.000 0.493 346 L N 3.885 125.206 121.223 0.163 0.000 2.283 346 L HA 0.454 4.798 4.340 0.008 0.000 0.281 346 L C 1.547 178.511 176.870 0.157 0.000 1.033 346 L CA -0.343 54.628 54.840 0.219 0.000 0.848 346 L CB 1.317 43.593 42.059 0.361 0.000 1.226 346 L HN 0.602 nan 8.230 nan 0.000 0.429 347 A N 2.359 125.222 122.820 0.072 0.000 1.986 347 A HA -0.170 4.155 4.320 0.008 0.000 0.220 347 A C 1.876 179.441 177.584 -0.031 0.000 1.171 347 A CA 1.498 53.542 52.037 0.011 0.000 0.640 347 A CB -0.217 18.776 19.000 -0.011 0.000 0.811 347 A HN 0.815 nan 8.150 nan 0.000 0.451 348 E N -1.204 118.951 120.200 -0.074 0.000 2.478 348 E HA -0.088 4.267 4.350 0.008 0.000 0.198 348 E C 0.369 176.647 176.600 -0.537 0.000 1.046 348 E CA 0.569 56.790 56.400 -0.297 0.000 0.870 348 E CB -0.052 29.423 29.700 -0.376 0.000 0.818 348 E HN 0.746 nan 8.360 nan 0.000 0.527 349 H N -0.799 118.325 119.070 0.090 0.000 2.662 349 H HA 0.306 4.866 4.556 0.007 0.000 0.268 349 H C -0.105 175.279 175.328 0.094 0.000 1.152 349 H CA 0.055 56.172 56.048 0.115 0.000 1.072 349 H CB 0.737 30.601 29.762 0.171 0.000 1.660 349 H HN -0.001 nan 8.280 nan 0.000 0.584 350 L N 1.898 123.163 121.223 0.069 0.000 2.354 350 L HA 0.424 4.768 4.340 0.008 0.000 0.264 350 L C -2.006 174.851 176.870 -0.021 0.000 1.008 350 L CA -1.900 52.932 54.840 -0.013 0.000 0.819 350 L CB 2.516 44.533 42.059 -0.071 0.000 1.339 350 L HN -0.016 nan 8.230 nan 0.000 0.420 351 P HA 0.232 nan 4.420 nan 0.000 0.274 351 P C -1.280 176.007 177.300 -0.023 0.000 1.256 351 P CA -0.576 62.511 63.100 -0.021 0.000 0.795 351 P CB 0.763 32.452 31.700 -0.019 0.000 1.038 352 K N -0.221 120.171 120.400 -0.013 0.000 2.144 352 K HA 0.522 4.847 4.320 0.008 0.000 0.270 352 K C -0.135 176.465 176.600 0.001 0.000 1.005 352 K CA -0.565 55.719 56.287 -0.006 0.000 0.932 352 K CB 0.911 33.411 32.500 -0.001 0.000 1.021 352 K HN 0.475 nan 8.250 nan 0.000 0.462 353 A N 3.309 126.136 122.820 0.012 0.000 2.582 353 A HA 0.120 4.445 4.320 0.008 0.000 0.336 353 A C 0.693 178.300 177.584 0.038 0.000 1.445 353 A CA -0.487 51.564 52.037 0.025 0.000 0.997 353 A CB 0.150 19.176 19.000 0.044 0.000 1.148 353 A HN 0.769 nan 8.150 nan 0.000 0.514 354 E N 1.848 122.065 120.200 0.028 0.000 2.085 354 E HA -0.241 4.113 4.350 0.008 0.000 0.194 354 E C 1.224 177.856 176.600 0.053 0.000 0.994 354 E CA 1.784 58.205 56.400 0.034 0.000 0.801 354 E CB -0.063 29.650 29.700 0.022 0.000 0.743 354 E HN 0.936 nan 8.360 nan 0.000 0.453 355 D N 0.770 121.201 120.400 0.050 0.000 2.144 355 D HA -0.116 4.528 4.640 0.008 0.000 0.199 355 D C 2.072 178.446 176.300 0.123 0.000 0.984 355 D CA 0.811 54.849 54.000 0.065 0.000 0.834 355 D CB -0.686 40.130 40.800 0.026 0.000 0.955 355 D HN 0.082 nan 8.370 nan 0.000 0.465 356 V N 1.280 121.272 119.914 0.130 0.000 2.307 356 V HA -0.186 3.939 4.120 0.008 0.000 0.245 356 V C 2.631 178.841 176.094 0.194 0.000 1.045 356 V CA 1.793 64.218 62.300 0.210 0.000 1.024 356 V CB -0.436 31.513 31.823 0.210 0.000 0.651 356 V HN 0.129 nan 8.190 nan 0.000 0.449 357 E N 0.616 120.887 120.200 0.118 0.000 2.058 357 E HA -0.223 4.132 4.350 0.008 0.000 0.194 357 E C 2.373 179.034 176.600 0.102 0.000 0.997 357 E CA 1.621 58.077 56.400 0.094 0.000 0.801 357 E CB -0.548 29.188 29.700 0.060 0.000 0.746 357 E HN 0.577 nan 8.360 nan 0.000 0.450 358 A N 0.982 123.867 122.820 0.108 0.000 1.902 358 A HA -0.171 4.154 4.320 0.008 0.000 0.217 358 A C 2.063 179.726 177.584 0.131 0.000 1.181 358 A CA 1.281 53.377 52.037 0.099 0.000 0.623 358 A CB -0.770 18.284 19.000 0.091 0.000 0.818 358 A HN 0.282 nan 8.150 nan 0.000 0.443 359 F N 0.632 120.604 119.950 0.038 0.000 2.134 359 F HA -0.103 4.428 4.527 0.008 0.000 0.299 359 F C 1.835 177.661 175.800 0.045 0.000 1.097 359 F CA 1.601 59.624 58.000 0.039 0.000 1.264 359 F CB -0.320 38.710 39.000 0.049 0.000 1.001 359 F HN 0.132 nan 8.300 nan 0.000 0.479 360 L N 0.342 121.524 121.223 -0.068 0.000 2.083 360 L HA -0.214 4.130 4.340 0.008 0.000 0.209 360 L C 2.584 179.425 176.870 -0.048 0.000 1.083 360 L CA 1.774 56.530 54.840 -0.139 0.000 0.752 360 L CB -0.780 41.286 42.059 0.011 0.000 0.899 360 L HN 0.158 nan 8.230 nan 0.000 0.433 361 K N 0.651 121.055 120.400 0.007 0.000 2.026 361 K HA -0.195 4.130 4.320 0.008 0.000 0.208 361 K C 2.159 178.743 176.600 -0.027 0.000 1.048 361 K CA 1.479 57.777 56.287 0.019 0.000 0.929 361 K CB -0.139 32.375 32.500 0.023 0.000 0.713 361 K HN 0.227 nan 8.250 nan 0.000 0.439 362 A N 0.974 123.754 122.820 -0.066 0.000 1.933 362 A HA -0.174 4.150 4.320 0.008 0.000 0.218 362 A C 2.105 179.613 177.584 -0.128 0.000 1.175 362 A CA 1.349 53.339 52.037 -0.078 0.000 0.628 362 A CB -0.459 18.512 19.000 -0.049 0.000 0.814 362 A HN 0.411 nan 8.150 nan 0.000 0.444 363 Q N -0.580 119.069 119.800 -0.253 0.000 2.083 363 Q HA 0.030 4.374 4.340 0.008 0.000 0.198 363 Q C 1.777 177.755 176.000 -0.036 0.000 0.969 363 Q CA 1.160 56.821 55.803 -0.236 0.000 0.838 363 Q CB -0.176 28.267 28.738 -0.492 0.000 0.900 363 Q HN 0.714 nan 8.270 nan 0.000 0.436 364 L N -0.564 120.670 121.223 0.017 0.000 2.693 364 L HA 0.249 4.593 4.340 0.008 0.000 0.235 364 L C 2.066 178.995 176.870 0.098 0.000 1.127 364 L CA 0.123 55.051 54.840 0.145 0.000 0.914 364 L CB -0.212 41.988 42.059 0.235 0.000 1.193 364 L HN -0.015 nan 8.230 nan 0.000 0.502 365 A N 1.703 124.536 122.820 0.022 0.000 1.892 365 A HA -0.144 4.181 4.320 0.008 0.000 0.218 365 A C -0.199 177.338 177.584 -0.077 0.000 1.188 365 A CA 1.842 53.873 52.037 -0.010 0.000 0.631 365 A CB -1.664 17.318 19.000 -0.030 0.000 0.822 365 A HN 0.271 nan 8.150 nan 0.000 0.447 366 P HA -0.082 nan 4.420 nan 0.000 0.226 366 P C 0.511 177.520 177.300 -0.486 0.000 1.153 366 P CA 1.096 63.965 63.100 -0.384 0.000 0.777 366 P CB -0.069 31.282 31.700 -0.581 0.000 0.794 367 H N -1.346 117.699 119.070 -0.041 0.000 2.784 367 H HA 0.146 4.706 4.556 0.008 0.000 0.273 367 H C 1.743 177.030 175.328 -0.069 0.000 1.112 367 H CA 0.111 56.126 56.048 -0.056 0.000 1.162 367 H CB 0.075 29.790 29.762 -0.078 0.000 1.586 367 H HN 0.368 nan 8.280 nan 0.000 0.548 368 Q N 0.958 120.791 119.800 0.056 0.000 2.096 368 Q HA -0.162 4.183 4.340 0.008 0.000 0.204 368 Q C 0.657 176.687 176.000 0.050 0.000 0.982 368 Q CA 1.624 57.484 55.803 0.095 0.000 0.850 368 Q CB -0.017 28.843 28.738 0.203 0.000 0.901 368 Q HN 0.125 nan 8.270 nan 0.000 0.422 369 D N 0.405 120.835 120.400 0.049 0.000 2.117 369 D HA -0.168 4.477 4.640 0.008 0.000 0.197 369 D C 1.848 178.174 176.300 0.043 0.000 0.987 369 D CA 1.647 55.679 54.000 0.054 0.000 0.829 369 D CB -0.378 40.451 40.800 0.047 0.000 0.961 369 D HN 0.487 nan 8.370 nan 0.000 0.460 370 H N 0.578 119.606 119.070 -0.070 0.000 2.293 370 H HA 0.006 4.567 4.556 0.008 0.000 0.300 370 H C 2.190 177.441 175.328 -0.128 0.000 1.082 370 H CA 1.385 57.360 56.048 -0.121 0.000 1.308 370 H CB -0.483 29.158 29.762 -0.202 0.000 1.375 370 H HN 0.035 nan 8.280 nan 0.000 0.495 371 L N -1.084 119.885 121.223 -0.423 0.000 2.056 371 L HA -0.119 4.226 4.340 0.008 0.000 0.207 371 L C 1.339 177.768 176.870 -0.736 0.000 1.078 371 L CA 1.105 55.494 54.840 -0.753 0.000 0.749 371 L CB -0.178 41.137 42.059 -1.240 0.000 0.901 371 L HN 0.282 nan 8.230 nan 0.000 0.433 372 F N -1.848 118.057 119.950 -0.074 0.000 2.678 372 F HA 0.154 4.686 4.527 0.009 0.000 0.305 372 F C 1.118 176.886 175.800 -0.054 0.000 1.090 372 F CA -0.565 57.372 58.000 -0.105 0.000 1.272 372 F CB -0.729 38.178 39.000 -0.156 0.000 1.060 372 F HN -0.233 nan 8.300 nan 0.000 0.576 373 T N 3.688 118.298 114.554 0.092 0.000 2.901 373 T HA 0.183 4.538 4.350 0.008 0.000 0.301 373 T C -2.352 172.388 174.700 0.067 0.000 1.012 373 T CA -0.955 61.194 62.100 0.082 0.000 1.135 373 T CB 0.689 69.604 68.868 0.079 0.000 0.936 373 T HN -0.221 nan 8.240 nan 0.000 0.539 374 P HA 0.197 nan 4.420 nan 0.000 0.267 374 P C 0.361 177.676 177.300 0.024 0.000 1.205 374 P CA -0.080 63.050 63.100 0.050 0.000 0.765 374 P CB 0.556 32.285 31.700 0.048 0.000 0.828 375 L N 1.710 122.930 121.223 -0.004 0.000 2.253 375 L HA 0.342 4.687 4.340 0.008 0.000 0.205 375 L C 1.017 177.863 176.870 -0.040 0.000 1.078 375 L CA 0.707 55.519 54.840 -0.048 0.000 0.805 375 L CB -0.100 41.872 42.059 -0.145 0.000 0.963 375 L HN 0.427 nan 8.230 nan 0.000 0.459 376 A N -1.147 121.664 122.820 -0.015 0.000 2.586 376 A HA 0.621 4.946 4.320 0.008 0.000 0.290 376 A C -1.581 176.013 177.584 0.016 0.000 1.086 376 A CA -0.431 51.594 52.037 -0.019 0.000 0.665 376 A CB 1.212 20.181 19.000 -0.051 0.000 1.279 376 A HN -0.242 nan 8.150 nan 0.000 0.423 377 V N 0.897 120.817 119.914 0.010 0.000 2.483 377 V HA 0.668 4.793 4.120 0.008 0.000 0.295 377 V C 0.497 176.609 176.094 0.029 0.000 1.035 377 V CA -0.384 61.933 62.300 0.028 0.000 0.896 377 V CB 1.731 33.566 31.823 0.021 0.000 0.986 377 V HN 0.955 nan 8.190 nan 0.000 0.447 378 S N 2.529 118.257 115.700 0.047 0.000 2.457 378 S HA 0.310 4.785 4.470 0.008 0.000 0.289 378 S C 0.814 175.441 174.600 0.044 0.000 1.163 378 S CA -0.536 57.695 58.200 0.051 0.000 1.078 378 S CB 0.931 64.178 63.200 0.077 0.000 0.987 378 S HN 0.813 nan 8.310 nan 0.000 0.482 379 E N 2.154 122.376 120.200 0.037 0.000 2.371 379 E HA 0.046 4.400 4.350 0.008 0.000 0.194 379 E C 0.618 177.246 176.600 0.046 0.000 1.012 379 E CA 0.453 56.874 56.400 0.034 0.000 0.860 379 E CB 0.340 30.056 29.700 0.025 0.000 0.811 379 E HN 0.799 nan 8.360 nan 0.000 0.502 380 T N -1.798 112.793 114.554 0.061 0.000 2.887 380 T HA 0.416 4.770 4.350 0.008 0.000 0.292 380 T C -0.449 174.318 174.700 0.112 0.000 1.087 380 T CA -1.027 61.123 62.100 0.082 0.000 1.009 380 T CB 1.558 70.476 68.868 0.084 0.000 1.203 380 T HN -0.061 nan 8.240 nan 0.000 0.518 381 L N 1.322 122.635 121.223 0.151 0.000 2.513 381 L HA 0.412 4.757 4.340 0.008 0.000 0.272 381 L C -0.831 176.180 176.870 0.234 0.000 1.187 381 L CA 0.021 54.989 54.840 0.212 0.000 0.895 381 L CB -0.453 41.765 42.059 0.265 0.000 1.147 381 L HN 0.566 nan 8.230 nan 0.000 0.483 382 L N 7.698 129.057 121.223 0.228 0.000 2.276 382 L HA 0.411 4.756 4.340 0.008 0.000 0.286 382 L C -0.804 176.239 176.870 0.289 0.000 1.024 382 L CA -0.718 54.245 54.840 0.204 0.000 0.826 382 L CB 0.472 42.682 42.059 0.251 0.000 1.211 382 L HN 0.649 nan 8.230 nan 0.000 0.422 383 Y N 1.272 121.662 120.300 0.149 0.000 2.598 383 Y HA 0.657 5.212 4.550 0.008 0.000 0.340 383 Y C 0.282 176.273 175.900 0.151 0.000 1.038 383 Y CA -1.171 56.996 58.100 0.112 0.000 1.100 383 Y CB 1.613 40.050 38.460 -0.038 0.000 1.281 383 Y HN 0.289 nan 8.280 nan 0.000 0.488 384 K N 0.763 121.332 120.400 0.282 0.000 2.344 384 K HA 0.361 4.686 4.320 0.008 0.000 0.200 384 K C -0.191 176.491 176.600 0.136 0.000 1.132 384 K CA 0.206 56.617 56.287 0.207 0.000 0.935 384 K CB 0.321 33.008 32.500 0.312 0.000 1.089 384 K HN 0.747 nan 8.250 nan 0.000 0.496 385 R N 1.094 121.659 120.500 0.108 0.000 2.389 385 R HA 0.315 4.660 4.340 0.008 0.000 0.295 385 R C -1.057 175.290 176.300 0.079 0.000 1.075 385 R CA 0.286 56.401 56.100 0.026 0.000 1.005 385 R CB 0.711 30.942 30.300 -0.114 0.000 0.987 385 R HN 0.252 nan 8.270 nan 0.000 0.452 386 D N -0.293 120.149 120.400 0.070 0.000 2.912 386 D HA 0.012 4.657 4.640 0.008 0.000 0.263 386 D C 0.156 176.532 176.300 0.128 0.000 1.152 386 D CA -0.352 53.715 54.000 0.112 0.000 0.728 386 D CB 0.979 41.913 40.800 0.224 0.000 1.337 386 D HN 0.295 nan 8.370 nan 0.000 0.435 387 T N 0.858 115.515 114.554 0.172 0.000 2.746 387 T HA -0.040 4.315 4.350 0.008 0.000 0.267 387 T C 1.491 176.332 174.700 0.235 0.000 1.039 387 T CA 1.364 63.587 62.100 0.206 0.000 1.142 387 T CB -0.048 69.003 68.868 0.306 0.000 0.866 387 T HN 0.363 nan 8.240 nan 0.000 0.444 388 L N -2.603 118.797 121.223 0.296 0.000 2.730 388 L HA 0.435 4.779 4.340 0.008 0.000 0.236 388 L C -0.053 176.980 176.870 0.272 0.000 1.061 388 L CA -0.249 54.758 54.840 0.277 0.000 0.898 388 L CB 0.670 42.867 42.059 0.231 0.000 1.270 388 L HN 0.212 nan 8.230 nan 0.000 0.500 389 Y N -0.021 120.375 120.300 0.160 0.000 2.558 389 Y HA 0.597 5.152 4.550 0.008 0.000 0.333 389 Y C -1.402 174.561 175.900 0.105 0.000 1.125 389 Y CA -0.881 57.278 58.100 0.097 0.000 1.039 389 Y CB 1.921 40.410 38.460 0.048 0.000 1.331 389 Y HN -0.126 nan 8.280 nan 0.000 0.456 390 S N 1.371 116.440 115.700 -1.052 0.000 2.579 390 S HA 0.261 4.736 4.470 0.008 0.000 0.272 390 S C 0.304 174.148 174.600 -1.260 0.000 1.141 390 S CA -0.342 57.243 58.200 -1.025 0.000 0.843 390 S CB 1.655 64.554 63.200 -0.502 0.000 1.122 390 S HN 0.814 nan 8.310 nan 0.000 0.468 391 T N -1.357 112.494 114.554 -1.172 0.000 2.904 391 T HA -0.101 4.254 4.350 0.008 0.000 0.267 391 T C 1.489 175.922 174.700 -0.446 0.000 1.059 391 T CA 0.627 62.360 62.100 -0.612 0.000 1.137 391 T CB -0.341 68.323 68.868 -0.339 0.000 0.879 391 T HN 0.749 nan 8.240 nan 0.000 0.467 392 W N 2.676 123.644 121.300 -0.554 0.000 2.355 392 W HA -0.153 4.513 4.660 0.008 0.000 0.309 392 W C 1.096 177.347 176.519 -0.446 0.000 1.206 392 W CA 1.499 58.553 57.345 -0.484 0.000 1.284 392 W CB -0.302 28.832 29.460 -0.544 0.000 1.145 392 W HN 0.246 nan 8.180 nan 0.000 0.502 393 D N 0.136 120.214 120.400 -0.537 0.000 2.178 393 D HA -0.242 4.402 4.640 0.008 0.000 0.201 393 D C 2.057 178.010 176.300 -0.578 0.000 0.980 393 D CA 1.558 55.241 54.000 -0.528 0.000 0.842 393 D CB -0.465 40.176 40.800 -0.266 0.000 0.948 393 D HN 0.434 nan 8.370 nan 0.000 0.472 394 Q N 0.263 119.717 119.800 -0.576 0.000 2.079 394 Q HA -0.144 4.201 4.340 0.008 0.000 0.200 394 Q C 2.256 177.806 176.000 -0.749 0.000 0.974 394 Q CA 0.670 56.139 55.803 -0.557 0.000 0.840 394 Q CB -0.088 28.478 28.738 -0.286 0.000 0.898 394 Q HN 0.150 nan 8.270 nan 0.000 0.430 395 L N 0.219 121.036 121.223 -0.678 0.000 2.012 395 L HA -0.165 4.179 4.340 0.008 0.000 0.210 395 L C 2.134 178.514 176.870 -0.816 0.000 1.073 395 L CA 1.599 56.038 54.840 -0.669 0.000 0.748 395 L CB -0.676 41.007 42.059 -0.628 0.000 0.891 395 L HN 0.129 nan 8.230 nan 0.000 0.431 396 V N 0.227 119.564 119.914 -0.962 0.000 2.343 396 V HA -0.223 3.902 4.120 0.008 0.000 0.247 396 V C 2.651 178.394 176.094 -0.585 0.000 1.051 396 V CA 1.783 63.627 62.300 -0.761 0.000 1.036 396 V CB -1.727 29.698 31.823 -0.664 0.000 0.654 396 V HN 0.650 nan 8.190 nan 0.000 0.451 397 G N -0.450 107.959 108.800 -0.651 0.000 2.446 397 G HA2 -0.251 3.714 3.960 0.008 0.000 0.217 397 G HA3 -0.251 3.714 3.960 0.008 0.000 0.217 397 G C 1.461 175.904 174.900 -0.762 0.000 1.168 397 G CA 0.956 45.671 45.100 -0.643 0.000 0.771 397 G HN 0.581 nan 8.290 nan 0.000 0.551 398 E N 0.526 120.079 120.200 -1.079 0.000 2.110 398 E HA -0.020 4.335 4.350 0.008 0.000 0.193 398 E C 2.931 179.116 176.600 -0.692 0.000 0.988 398 E CA 0.689 56.679 56.400 -0.684 0.000 0.804 398 E CB -0.178 29.188 29.700 -0.557 0.000 0.745 398 E HN 0.419 nan 8.360 nan 0.000 0.458 399 A N 0.989 123.230 122.820 -0.964 0.000 1.877 399 A HA -0.153 4.172 4.320 0.008 0.000 0.216 399 A C 2.519 179.781 177.584 -0.536 0.000 1.186 399 A CA 1.262 52.565 52.037 -1.225 0.000 0.620 399 A CB -0.701 17.748 19.000 -0.917 0.000 0.822 399 A HN 0.117 nan 8.150 nan 0.000 0.443 400 V N 0.294 120.016 119.914 -0.319 0.000 2.343 400 V HA -0.255 3.870 4.120 0.008 0.000 0.247 400 V C 2.435 178.537 176.094 0.013 0.000 1.051 400 V CA 2.260 64.525 62.300 -0.058 0.000 1.036 400 V CB -0.648 31.157 31.823 -0.031 0.000 0.654 400 V HN 0.503 nan 8.190 nan 0.000 0.451 401 K N 0.028 120.406 120.400 -0.037 0.000 2.148 401 K HA -0.057 4.268 4.320 0.008 0.000 0.204 401 K C 2.263 178.856 176.600 -0.011 0.000 1.050 401 K CA 1.285 57.590 56.287 0.030 0.000 0.942 401 K CB -0.298 32.273 32.500 0.118 0.000 0.724 401 K HN 0.485 nan 8.250 nan 0.000 0.446 402 A N 1.256 124.021 122.820 -0.091 0.000 1.930 402 A HA -0.090 4.234 4.320 0.008 0.000 0.217 402 A C 2.010 179.555 177.584 -0.065 0.000 1.175 402 A CA 1.139 53.150 52.037 -0.042 0.000 0.627 402 A CB -0.322 18.686 19.000 0.015 0.000 0.815 402 A HN 0.157 nan 8.150 nan 0.000 0.443 403 I N -2.653 117.824 120.570 -0.155 0.000 2.852 403 I HA -0.055 4.119 4.170 0.008 0.000 0.264 403 I C -0.082 175.690 176.117 -0.575 0.000 1.179 403 I CA 0.645 61.726 61.300 -0.364 0.000 1.480 403 I CB 0.137 37.861 38.000 -0.460 0.000 1.111 403 I HN 0.305 nan 8.210 nan 0.000 0.441 404 Y N 0.228 120.509 120.300 -0.032 0.000 2.748 404 Y HA 0.318 4.873 4.550 0.008 0.000 0.359 404 Y C -1.972 173.902 175.900 -0.043 0.000 1.030 404 Y CA -2.427 55.647 58.100 -0.043 0.000 1.169 404 Y CB 0.039 38.444 38.460 -0.093 0.000 1.127 404 Y HN -0.063 nan 8.280 nan 0.000 0.644 405 P HA -0.186 nan 4.420 nan 0.000 0.223 405 P C 1.252 178.578 177.300 0.043 0.000 1.144 405 P CA 1.365 64.491 63.100 0.043 0.000 0.783 405 P CB 0.383 32.099 31.700 0.026 0.000 0.771 406 E N -0.538 119.694 120.200 0.054 0.000 2.274 406 E HA -0.038 4.317 4.350 0.008 0.000 0.194 406 E C 0.431 177.033 176.600 0.003 0.000 0.996 406 E CA 0.474 56.895 56.400 0.035 0.000 0.840 406 E CB -0.776 28.951 29.700 0.044 0.000 0.772 406 E HN 0.050 nan 8.360 nan 0.000 0.491 407 V N 2.569 122.476 119.914 -0.011 0.000 2.585 407 V HA -0.041 4.084 4.120 0.008 0.000 0.296 407 V C 1.241 177.317 176.094 -0.029 0.000 1.035 407 V CA 0.450 62.714 62.300 -0.060 0.000 1.084 407 V CB 0.999 32.776 31.823 -0.077 0.000 0.953 407 V HN 0.189 nan 8.190 nan 0.000 0.483 408 E N 2.874 123.057 120.200 -0.029 0.000 2.201 408 E HA 0.124 4.479 4.350 0.008 0.000 0.193 408 E C 0.026 176.575 176.600 -0.085 0.000 0.957 408 E CA 0.437 56.830 56.400 -0.012 0.000 0.858 408 E CB 1.003 30.769 29.700 0.109 0.000 0.816 408 E HN 0.673 nan 8.360 nan 0.000 0.475 409 V N -0.940 118.914 119.914 -0.100 0.000 2.760 409 V HA 0.541 4.666 4.120 0.008 0.000 0.309 409 V C -0.559 175.455 176.094 -0.134 0.000 1.077 409 V CA -1.098 61.091 62.300 -0.186 0.000 0.910 409 V CB 2.032 33.692 31.823 -0.272 0.000 1.008 409 V HN -0.221 nan 8.190 nan 0.000 0.424 410 V N 4.750 124.586 119.914 -0.129 0.000 2.378 410 V HA 0.511 4.636 4.120 0.008 0.000 0.288 410 V C -0.639 175.409 176.094 -0.077 0.000 1.016 410 V CA -0.205 62.087 62.300 -0.013 0.000 0.840 410 V CB 1.233 33.093 31.823 0.061 0.000 0.994 410 V HN 0.784 nan 8.190 nan 0.000 0.431 411 F N 2.565 122.521 119.950 0.011 0.000 2.390 411 F HA 0.423 4.955 4.527 0.008 0.000 0.361 411 F C 1.021 176.798 175.800 -0.037 0.000 1.124 411 F CA 0.154 58.158 58.000 0.006 0.000 1.149 411 F CB 1.261 40.278 39.000 0.027 0.000 1.160 411 F HN 0.393 nan 8.300 nan 0.000 0.501 412 S N 5.299 121.033 115.700 0.056 0.000 2.508 412 S HA 0.399 4.874 4.470 0.008 0.000 0.284 412 S C -2.458 172.067 174.600 -0.125 0.000 1.192 412 S CA -1.405 56.737 58.200 -0.096 0.000 1.070 412 S CB 1.197 64.382 63.200 -0.026 0.000 1.004 412 S HN 0.278 nan 8.310 nan 0.000 0.493 413 P HA 0.198 nan 4.420 nan 0.000 0.276 413 P C -0.919 176.361 177.300 -0.033 0.000 1.243 413 P CA -0.316 62.719 63.100 -0.109 0.000 0.768 413 P CB 0.665 32.302 31.700 -0.104 0.000 0.856 414 A N 4.460 127.287 122.820 0.011 0.000 3.117 414 A HA 0.289 4.614 4.320 0.008 0.000 0.255 414 A C 0.889 178.451 177.584 -0.037 0.000 1.583 414 A CA -0.497 51.540 52.037 -0.000 0.000 1.234 414 A CB -1.289 17.731 19.000 0.032 0.000 1.076 414 A HN 0.500 nan 8.150 nan 0.000 0.653 415 V N -2.393 117.444 119.914 -0.129 0.000 3.096 415 V HA 0.226 4.351 4.120 0.008 0.000 0.306 415 V C 0.999 176.905 176.094 -0.314 0.000 1.088 415 V CA -0.314 61.818 62.300 -0.281 0.000 1.129 415 V CB 0.421 31.749 31.823 -0.824 0.000 1.014 415 V HN 0.593 nan 8.190 nan 0.000 0.486 416 R N 1.934 122.261 120.500 -0.288 0.000 2.334 416 R HA 0.196 4.541 4.340 0.008 0.000 0.216 416 R C 0.281 176.663 176.300 0.137 0.000 0.905 416 R CA 0.032 56.017 56.100 -0.193 0.000 1.064 416 R CB 0.248 30.256 30.300 -0.486 0.000 1.046 416 R HN 0.912 nan 8.270 nan 0.000 0.508 417 W N 0.453 121.709 121.300 -0.073 0.000 2.359 417 W HA 0.656 5.321 4.660 0.008 0.000 0.344 417 W C -0.042 176.420 176.519 -0.095 0.000 1.170 417 W CA -0.436 56.793 57.345 -0.192 0.000 1.296 417 W CB 0.544 29.360 29.460 -1.075 0.000 1.197 417 W HN 0.065 nan 8.180 nan 0.000 0.618 418 G N 0.264 109.104 108.800 0.067 0.000 2.373 418 G HA2 0.341 4.305 3.960 0.008 0.000 0.250 418 G HA3 0.341 4.305 3.960 0.008 0.000 0.250 418 G C -1.421 173.120 174.900 -0.598 0.000 1.304 418 G CA -0.047 44.956 45.100 -0.162 0.000 0.948 418 G HN 0.790 nan 8.290 nan 0.000 0.474 419 T N -1.581 112.665 114.554 -0.513 0.000 2.711 419 T HA 0.702 5.057 4.350 0.008 0.000 0.302 419 T C -1.530 173.236 174.700 0.110 0.000 1.373 419 T CA 0.469 62.411 62.100 -0.264 0.000 1.000 419 T CB 1.639 70.293 68.868 -0.356 0.000 1.483 419 T HN 1.038 nan 8.240 nan 0.000 0.499 420 T N 2.615 117.344 114.554 0.291 0.000 2.841 420 T HA 0.602 4.957 4.350 0.008 0.000 0.285 420 T C -0.832 174.041 174.700 0.289 0.000 0.991 420 T CA -0.585 61.719 62.100 0.341 0.000 0.966 420 T CB 0.692 69.773 68.868 0.356 0.000 0.962 420 T HN 0.427 nan 8.240 nan 0.000 0.438 421 I N 4.021 124.725 120.570 0.224 0.000 2.336 421 I HA 0.365 4.540 4.170 0.008 0.000 0.292 421 I C 0.383 176.582 176.117 0.137 0.000 0.991 421 I CA -0.803 60.568 61.300 0.119 0.000 1.227 421 I CB 0.896 38.934 38.000 0.064 0.000 1.366 421 I HN 0.505 nan 8.210 nan 0.000 0.466 422 L N 7.229 128.486 121.223 0.057 0.000 2.466 422 L HA 0.335 4.680 4.340 0.008 0.000 0.257 422 L C -2.058 174.830 176.870 0.030 0.000 1.189 422 L CA -1.683 53.158 54.840 0.001 0.000 0.813 422 L CB 0.230 42.170 42.059 -0.199 0.000 1.118 422 L HN 0.273 nan 8.230 nan 0.000 0.471 423 P HA 0.051 nan 4.420 nan 0.000 0.268 423 P C 0.619 177.929 177.300 0.017 0.000 1.204 423 P CA 0.645 63.765 63.100 0.035 0.000 0.768 423 P CB 0.693 32.412 31.700 0.031 0.000 0.842 424 G N 1.291 110.107 108.800 0.026 0.000 2.179 424 G HA2 -0.287 3.678 3.960 0.008 0.000 0.260 424 G HA3 -0.287 3.678 3.960 0.008 0.000 0.260 424 G C 0.196 175.117 174.900 0.034 0.000 0.977 424 G CA -0.016 45.098 45.100 0.023 0.000 0.641 424 G HN 0.662 nan 8.290 nan 0.000 0.533 425 Q N 0.516 120.343 119.800 0.045 0.000 2.259 425 Q HA 0.686 5.030 4.340 0.008 0.000 0.249 425 Q C 0.504 176.557 176.000 0.089 0.000 0.914 425 Q CA -0.007 55.841 55.803 0.074 0.000 0.904 425 Q CB 1.002 29.792 28.738 0.086 0.000 1.213 425 Q HN 0.847 nan 8.270 nan 0.000 0.428 426 A N 4.423 127.314 122.820 0.118 0.000 2.363 426 A HA 0.397 4.721 4.320 0.008 0.000 0.270 426 A C -0.367 177.342 177.584 0.208 0.000 1.121 426 A CA -0.455 51.658 52.037 0.127 0.000 0.800 426 A CB 0.217 19.284 19.000 0.110 0.000 1.052 426 A HN 0.800 nan 8.150 nan 0.000 0.493 427 I N 2.361 123.039 120.570 0.180 0.000 2.365 427 I HA 0.349 4.524 4.170 0.008 0.000 0.291 427 I C 0.913 177.171 176.117 0.235 0.000 1.004 427 I CA -0.047 61.420 61.300 0.279 0.000 1.311 427 I CB 1.582 39.685 38.000 0.171 0.000 1.401 427 I HN 0.835 nan 8.210 nan 0.000 0.491 428 T N 0.009 114.751 114.554 0.313 0.000 2.910 428 T HA 0.288 4.643 4.350 0.008 0.000 0.287 428 T C 0.479 175.102 174.700 -0.128 0.000 1.050 428 T CA -0.627 61.473 62.100 -0.001 0.000 1.011 428 T CB 1.158 69.976 68.868 -0.083 0.000 1.195 428 T HN 0.596 nan 8.240 nan 0.000 0.540 429 W N 0.121 121.227 121.300 -0.322 0.000 2.374 429 W HA 0.013 4.678 4.660 0.008 0.000 0.288 429 W C 2.120 178.299 176.519 -0.567 0.000 1.218 429 W CA 1.298 58.304 57.345 -0.564 0.000 1.245 429 W CB -0.154 28.779 29.460 -0.880 0.000 1.126 429 W HN 0.887 nan 8.180 nan 0.000 0.545 430 D N -1.489 118.816 120.400 -0.158 0.000 2.144 430 D HA -0.197 4.448 4.640 0.008 0.000 0.199 430 D C 1.662 177.922 176.300 -0.067 0.000 0.984 430 D CA 1.624 55.581 54.000 -0.071 0.000 0.834 430 D CB -0.166 40.590 40.800 -0.073 0.000 0.955 430 D HN 0.266 nan 8.370 nan 0.000 0.465 431 H N -0.760 118.286 119.070 -0.040 0.000 2.357 431 H HA 0.032 4.592 4.556 0.008 0.000 0.301 431 H C 2.172 177.453 175.328 -0.078 0.000 1.082 431 H CA 0.728 56.712 56.048 -0.106 0.000 1.342 431 H CB 0.097 29.841 29.762 -0.030 0.000 1.389 431 H HN 0.109 nan 8.280 nan 0.000 0.511 432 L N -0.041 121.206 121.223 0.040 0.000 2.079 432 L HA -0.244 4.101 4.340 0.008 0.000 0.210 432 L C 1.924 178.877 176.870 0.139 0.000 1.081 432 L CA 1.189 56.059 54.840 0.050 0.000 0.752 432 L CB -0.447 41.460 42.059 -0.253 0.000 0.896 432 L HN 0.374 nan 8.230 nan 0.000 0.433 433 Y N -0.174 120.209 120.300 0.138 0.000 2.314 433 Y HA -0.097 4.457 4.550 0.008 0.000 0.293 433 Y C 2.632 178.561 175.900 0.049 0.000 1.129 433 Y CA 0.550 58.694 58.100 0.073 0.000 1.201 433 Y CB -0.982 37.456 38.460 -0.037 0.000 0.999 433 Y HN 0.098 nan 8.280 nan 0.000 0.541 434 A N -1.057 121.819 122.820 0.092 0.000 1.972 434 A HA -0.180 4.145 4.320 0.008 0.000 0.219 434 A C 1.689 179.289 177.584 0.027 0.000 1.169 434 A CA 1.508 53.496 52.037 -0.082 0.000 0.635 434 A CB -0.903 17.917 19.000 -0.301 0.000 0.810 434 A HN 0.466 nan 8.150 nan 0.000 0.446 435 Y N -0.093 120.232 120.300 0.043 0.000 2.436 435 Y HA 0.034 4.588 4.550 0.008 0.000 0.288 435 Y C 2.333 178.408 175.900 0.291 0.000 1.112 435 Y CA 1.499 59.568 58.100 -0.051 0.000 1.220 435 Y CB 0.164 38.305 38.460 -0.533 0.000 1.073 435 Y HN 0.415 nan 8.280 nan 0.000 0.552 436 T N -4.252 110.703 114.554 0.669 0.000 3.275 436 T HA 0.288 4.642 4.350 0.008 0.000 0.298 436 T C 1.206 176.454 174.700 0.914 0.000 0.988 436 T CA 0.090 62.697 62.100 0.845 0.000 0.936 436 T CB -0.190 69.107 68.868 0.716 0.000 1.159 436 T HN 0.161 nan 8.240 nan 0.000 0.519 437 G N 1.427 110.608 108.800 0.636 0.000 3.180 437 G HA2 0.407 4.372 3.960 0.008 0.000 0.252 437 G HA3 0.407 4.372 3.960 0.008 0.000 0.252 437 G C -0.263 174.757 174.900 0.199 0.000 0.871 437 G CA -0.463 44.871 45.100 0.390 0.000 1.979 437 G HN 0.509 nan 8.290 nan 0.000 0.624 438 F N 0.104 120.304 119.950 0.417 0.000 2.410 438 F HA 0.217 4.749 4.527 0.008 0.000 0.334 438 F C 2.130 178.090 175.800 0.268 0.000 1.134 438 F CA -0.018 58.145 58.000 0.272 0.000 1.227 438 F CB 1.308 40.351 39.000 0.072 0.000 1.194 438 F HN 0.198 nan 8.300 nan 0.000 0.571 439 T N -2.007 112.843 114.554 0.494 0.000 3.085 439 T HA -0.100 4.255 4.350 0.008 0.000 0.263 439 T C 0.021 175.103 174.700 0.638 0.000 1.127 439 T CA 0.644 63.028 62.100 0.473 0.000 1.103 439 T CB -0.844 68.240 68.868 0.360 0.000 0.921 439 T HN 0.558 nan 8.240 nan 0.000 0.510 440 Y N -0.407 120.255 120.300 0.603 0.000 2.658 440 Y HA 0.585 5.140 4.550 0.008 0.000 0.362 440 Y C -2.470 173.660 175.900 0.384 0.000 1.017 440 Y CA -3.016 55.363 58.100 0.465 0.000 1.134 440 Y CB 0.868 39.604 38.460 0.460 0.000 1.144 440 Y HN -0.055 nan 8.280 nan 0.000 0.655 441 P HA 0.065 nan 4.420 nan 0.000 0.255 441 P C -0.545 176.750 177.300 -0.008 0.000 1.248 441 P CA 0.139 63.323 63.100 0.139 0.000 0.807 441 P CB 0.403 32.163 31.700 0.100 0.000 1.150 442 E N 0.694 120.902 120.200 0.012 0.000 2.529 442 E HA 0.080 4.435 4.350 0.008 0.000 0.259 442 E C 0.005 176.481 176.600 -0.208 0.000 0.966 442 E CA 0.116 56.404 56.400 -0.188 0.000 0.937 442 E CB -0.032 29.443 29.700 -0.375 0.000 0.923 442 E HN 0.057 nan 8.360 nan 0.000 0.468 443 L N 4.605 125.712 121.223 -0.194 0.000 2.276 443 L HA 0.316 4.661 4.340 0.008 0.000 0.286 443 L C -1.503 175.319 176.870 -0.079 0.000 1.061 443 L CA -0.212 54.607 54.840 -0.034 0.000 0.807 443 L CB 0.126 42.175 42.059 -0.018 0.000 1.177 443 L HN 0.408 nan 8.230 nan 0.000 0.429 444 Y N 5.014 125.451 120.300 0.227 0.000 2.409 444 Y HA 0.618 5.173 4.550 0.008 0.000 0.339 444 Y C -0.589 175.375 175.900 0.107 0.000 1.033 444 Y CA -0.704 57.568 58.100 0.285 0.000 1.094 444 Y CB 1.688 40.327 38.460 0.298 0.000 1.210 444 Y HN 0.387 nan 8.280 nan 0.000 0.456 445 L N 5.083 126.316 121.223 0.017 0.000 2.333 445 L HA 0.600 4.945 4.340 0.008 0.000 0.280 445 L C -0.999 175.834 176.870 -0.063 0.000 1.004 445 L CA -0.728 53.889 54.840 -0.371 0.000 0.820 445 L CB 0.569 42.072 42.059 -0.927 0.000 1.247 445 L HN 0.549 nan 8.230 nan 0.000 0.416 446 F N 0.885 120.691 119.950 -0.241 0.000 2.693 446 F HA 0.596 5.128 4.527 0.008 0.000 0.309 446 F C -1.462 174.181 175.800 -0.262 0.000 1.129 446 F CA -1.450 56.432 58.000 -0.196 0.000 0.948 446 F CB 0.890 39.856 39.000 -0.058 0.000 1.315 446 F HN 0.160 nan 8.300 nan 0.000 0.447 447 Y N 2.049 122.444 120.300 0.158 0.000 2.310 447 Y HA 0.722 5.277 4.550 0.008 0.000 0.326 447 Y C -0.129 175.885 175.900 0.190 0.000 1.151 447 Y CA -0.654 57.503 58.100 0.096 0.000 1.195 447 Y CB 1.295 39.799 38.460 0.073 0.000 1.210 447 Y HN 0.492 nan 8.280 nan 0.000 0.483 448 L N 3.250 124.660 121.223 0.311 0.000 2.370 448 L HA 0.580 4.925 4.340 0.008 0.000 0.266 448 L C -0.357 176.673 176.870 0.267 0.000 1.002 448 L CA -1.141 53.858 54.840 0.264 0.000 0.818 448 L CB 2.298 44.491 42.059 0.224 0.000 1.325 448 L HN 0.561 nan 8.230 nan 0.000 0.418 449 R N 0.270 120.888 120.500 0.197 0.000 2.582 449 R HA 0.211 4.556 4.340 0.008 0.000 0.271 449 R C 1.212 177.653 176.300 0.236 0.000 1.078 449 R CA 0.287 56.502 56.100 0.192 0.000 1.127 449 R CB 0.807 31.174 30.300 0.112 0.000 1.038 449 R HN 0.874 nan 8.270 nan 0.000 0.500 450 G N 1.217 110.209 108.800 0.320 0.000 2.505 450 G HA2 -0.365 3.600 3.960 0.008 0.000 0.220 450 G HA3 -0.365 3.600 3.960 0.008 0.000 0.220 450 G C 1.353 176.314 174.900 0.101 0.000 1.145 450 G CA 1.095 46.349 45.100 0.256 0.000 0.761 450 G HN 0.685 nan 8.290 nan 0.000 0.571 451 A N 0.127 123.003 122.820 0.092 0.000 1.978 451 A HA -0.098 4.227 4.320 0.008 0.000 0.220 451 A C 2.336 179.943 177.584 0.038 0.000 1.170 451 A CA 1.961 54.029 52.037 0.051 0.000 0.636 451 A CB -0.355 18.671 19.000 0.043 0.000 0.810 451 A HN 0.508 nan 8.150 nan 0.000 0.448 452 Q N -0.666 119.167 119.800 0.054 0.000 2.123 452 Q HA -0.044 4.301 4.340 0.008 0.000 0.199 452 Q C 1.997 178.017 176.000 0.033 0.000 0.966 452 Q CA 1.275 57.100 55.803 0.037 0.000 0.845 452 Q CB -0.262 28.506 28.738 0.051 0.000 0.907 452 Q HN 0.747 nan 8.270 nan 0.000 0.439 453 I N 0.816 121.421 120.570 0.058 0.000 2.179 453 I HA -0.308 3.867 4.170 0.008 0.000 0.242 453 I C 2.493 178.628 176.117 0.031 0.000 1.088 453 I CA 1.233 62.589 61.300 0.094 0.000 1.357 453 I CB -0.228 37.789 38.000 0.029 0.000 1.051 453 I HN 0.140 nan 8.210 nan 0.000 0.409 454 K N 1.056 121.449 120.400 -0.013 0.000 2.026 454 K HA -0.180 4.145 4.320 0.008 0.000 0.208 454 K C 2.202 178.785 176.600 -0.028 0.000 1.048 454 K CA 1.514 57.777 56.287 -0.040 0.000 0.929 454 K CB -0.135 32.350 32.500 -0.025 0.000 0.713 454 K HN 0.300 nan 8.250 nan 0.000 0.439 455 A N 0.442 123.257 122.820 -0.009 0.000 1.933 455 A HA -0.112 4.213 4.320 0.008 0.000 0.218 455 A C 2.221 179.797 177.584 -0.013 0.000 1.175 455 A CA 1.507 53.538 52.037 -0.009 0.000 0.628 455 A CB -0.616 18.380 19.000 -0.006 0.000 0.814 455 A HN 0.173 nan 8.150 nan 0.000 0.444 456 V N 0.094 120.001 119.914 -0.011 0.000 2.287 456 V HA -0.277 3.847 4.120 0.008 0.000 0.248 456 V C 2.591 178.688 176.094 0.005 0.000 1.053 456 V CA 2.125 64.417 62.300 -0.013 0.000 1.027 456 V CB -0.673 31.131 31.823 -0.032 0.000 0.646 456 V HN 0.594 nan 8.190 nan 0.000 0.447 457 L N -0.451 120.766 121.223 -0.009 0.000 2.046 457 L HA -0.191 4.154 4.340 0.008 0.000 0.208 457 L C 2.600 179.455 176.870 -0.025 0.000 1.077 457 L CA 1.777 56.578 54.840 -0.066 0.000 0.747 457 L CB -0.526 41.370 42.059 -0.273 0.000 0.896 457 L HN 0.364 nan 8.230 nan 0.000 0.432 458 E N 0.411 120.599 120.200 -0.019 0.000 2.077 458 E HA -0.266 4.089 4.350 0.008 0.000 0.193 458 E C 1.742 178.361 176.600 0.033 0.000 0.989 458 E CA 1.510 57.921 56.400 0.018 0.000 0.800 458 E CB -0.060 29.645 29.700 0.009 0.000 0.746 458 E HN 0.326 nan 8.360 nan 0.000 0.452 459 D N -0.318 120.090 120.400 0.013 0.000 2.097 459 D HA -0.130 4.515 4.640 0.008 0.000 0.195 459 D C 1.913 178.220 176.300 0.012 0.000 0.989 459 D CA 1.246 55.250 54.000 0.007 0.000 0.827 459 D CB -0.176 40.618 40.800 -0.011 0.000 0.966 459 D HN 0.302 nan 8.370 nan 0.000 0.456 460 I N 0.507 121.086 120.570 0.015 0.000 2.179 460 I HA -0.262 3.913 4.170 0.008 0.000 0.242 460 I C 2.497 178.625 176.117 0.017 0.000 1.088 460 I CA 1.142 62.450 61.300 0.012 0.000 1.357 460 I CB -0.327 37.691 38.000 0.029 0.000 1.051 460 I HN 0.021 nan 8.210 nan 0.000 0.409 461 A N 0.665 123.542 122.820 0.094 0.000 1.940 461 A HA -0.251 4.073 4.320 0.008 0.000 0.219 461 A C 2.488 180.192 177.584 0.200 0.000 1.176 461 A CA 2.247 54.427 52.037 0.238 0.000 0.631 461 A CB -0.871 18.340 19.000 0.352 0.000 0.814 461 A HN 0.551 nan 8.150 nan 0.000 0.446 462 S N 0.145 115.912 115.700 0.112 0.000 2.399 462 S HA -0.162 4.313 4.470 0.008 0.000 0.231 462 S C 1.689 176.317 174.600 0.047 0.000 1.022 462 S CA 1.335 59.586 58.200 0.085 0.000 0.983 462 S CB -0.519 62.708 63.200 0.044 0.000 0.803 462 S HN 0.605 nan 8.310 nan 0.000 0.480 463 N N 1.390 120.091 118.700 0.002 0.000 2.197 463 N HA 0.085 4.829 4.740 0.008 0.000 0.184 463 N C 1.862 177.333 175.510 -0.064 0.000 1.030 463 N CA 1.365 54.401 53.050 -0.024 0.000 0.851 463 N CB -0.668 37.791 38.487 -0.047 0.000 1.003 463 N HN 0.313 nan 8.380 nan 0.000 0.430 464 V N 0.798 120.593 119.914 -0.198 0.000 2.407 464 V HA -0.142 3.982 4.120 0.008 0.000 0.248 464 V C 1.039 176.833 176.094 -0.500 0.000 1.055 464 V CA 1.367 63.409 62.300 -0.430 0.000 1.049 464 V CB -0.533 30.841 31.823 -0.749 0.000 0.662 464 V HN 0.139 nan 8.190 nan 0.000 0.455 465 F N -0.495 119.518 119.950 0.107 0.000 2.639 465 F HA 0.295 4.827 4.527 0.008 0.000 0.300 465 F C 1.221 177.065 175.800 0.073 0.000 1.109 465 F CA -0.507 57.547 58.000 0.089 0.000 1.335 465 F CB -0.631 38.413 39.000 0.072 0.000 1.014 465 F HN -0.075 nan 8.300 nan 0.000 0.537 466 T N -0.459 114.195 114.554 0.167 0.000 2.928 466 T HA 0.013 4.368 4.350 0.008 0.000 0.305 466 T C 1.426 176.222 174.700 0.159 0.000 1.035 466 T CA 0.220 62.407 62.100 0.145 0.000 1.145 466 T CB 0.765 69.707 68.868 0.124 0.000 0.963 466 T HN 0.235 nan 8.240 nan 0.000 0.545 467 S N 2.882 118.663 115.700 0.135 0.000 2.562 467 S HA 0.060 4.535 4.470 0.008 0.000 0.221 467 S C 0.442 175.135 174.600 0.155 0.000 0.975 467 S CA -0.175 58.097 58.200 0.121 0.000 0.918 467 S CB 0.010 63.262 63.200 0.087 0.000 0.772 467 S HN 0.798 nan 8.310 nan 0.000 0.531 468 D N 2.194 122.714 120.400 0.200 0.000 2.396 468 D HA 0.207 4.852 4.640 0.008 0.000 0.225 468 D C -1.637 174.852 176.300 0.316 0.000 1.121 468 D CA -2.377 51.785 54.000 0.269 0.000 0.853 468 D CB 1.452 42.464 40.800 0.355 0.000 1.043 468 D HN 0.020 nan 8.370 nan 0.000 0.500 469 P HA -0.152 nan 4.420 nan 0.000 0.221 469 P C 1.484 178.947 177.300 0.273 0.000 1.145 469 P CA 0.413 63.684 63.100 0.285 0.000 0.795 469 P CB 0.012 31.880 31.700 0.281 0.000 0.775 470 F N -0.277 119.741 119.950 0.113 0.000 2.269 470 F HA -0.128 4.403 4.527 0.008 0.000 0.301 470 F C 1.508 177.226 175.800 -0.136 0.000 1.082 470 F CA 1.284 59.265 58.000 -0.032 0.000 1.360 470 F CB -0.507 38.423 39.000 -0.116 0.000 1.041 470 F HN -0.178 nan 8.300 nan 0.000 0.512 471 Y N -0.468 119.918 120.300 0.144 0.000 2.458 471 Y HA 0.201 4.756 4.550 0.008 0.000 0.256 471 Y C 0.818 176.740 175.900 0.038 0.000 1.159 471 Y CA -0.410 57.724 58.100 0.056 0.000 1.261 471 Y CB -0.357 38.166 38.460 0.105 0.000 1.119 471 Y HN -0.184 nan 8.280 nan 0.000 0.524 472 Q N 1.279 121.190 119.800 0.185 0.000 2.332 472 Q HA 0.040 4.385 4.340 0.008 0.000 0.263 472 Q C 0.449 176.533 176.000 0.140 0.000 0.979 472 Q CA 0.552 56.457 55.803 0.169 0.000 0.885 472 Q CB 1.155 30.027 28.738 0.224 0.000 1.218 472 Q HN 0.550 nan 8.270 nan 0.000 0.405 473 Q N 0.661 120.518 119.800 0.094 0.000 2.319 473 Q HA 0.164 4.509 4.340 0.008 0.000 0.209 473 Q C 0.608 176.840 176.000 0.386 0.000 0.884 473 Q CA 0.424 56.296 55.803 0.116 0.000 0.938 473 Q CB 0.773 29.413 28.738 -0.163 0.000 1.098 473 Q HN 1.037 nan 8.270 nan 0.000 0.517 474 G N 0.955 109.921 108.800 0.277 0.000 2.147 474 G HA2 -0.225 3.739 3.960 0.008 0.000 0.244 474 G HA3 -0.225 3.739 3.960 0.008 0.000 0.244 474 G C 0.218 175.168 174.900 0.082 0.000 1.005 474 G CA -0.007 45.229 45.100 0.227 0.000 0.713 474 G HN 0.494 nan 8.290 nan 0.000 0.515 475 G N -1.394 107.461 108.800 0.090 0.000 2.667 475 G HA2 0.665 4.630 3.960 0.008 0.000 0.310 475 G HA3 0.665 4.630 3.960 0.008 0.000 0.310 475 G C -0.799 174.092 174.900 -0.014 0.000 1.259 475 G CA -0.198 44.929 45.100 0.044 0.000 1.019 475 G HN 0.138 nan 8.290 nan 0.000 0.496 476 D N -1.501 118.895 120.400 -0.007 0.000 2.621 476 D HA 0.477 5.122 4.640 0.008 0.000 0.255 476 D C -0.296 176.012 176.300 0.013 0.000 1.122 476 D CA -0.301 53.694 54.000 -0.008 0.000 1.096 476 D CB 1.943 42.752 40.800 0.016 0.000 1.282 476 D HN 0.124 nan 8.370 nan 0.000 0.619 477 V N 0.842 120.790 119.914 0.056 0.000 2.432 477 V HA 0.166 4.291 4.120 0.008 0.000 0.275 477 V C 0.778 176.939 176.094 0.112 0.000 1.043 477 V CA -0.609 61.750 62.300 0.098 0.000 0.925 477 V CB 1.235 33.172 31.823 0.190 0.000 0.985 477 V HN 0.522 nan 8.190 nan 0.000 0.466 478 S N 4.435 120.200 115.700 0.108 0.000 2.599 478 S HA 0.052 4.527 4.470 0.008 0.000 0.303 478 S C 0.271 174.937 174.600 0.110 0.000 1.267 478 S CA -0.123 58.147 58.200 0.117 0.000 1.055 478 S CB -0.057 63.260 63.200 0.195 0.000 0.790 478 S HN 0.649 nan 8.310 nan 0.000 0.500 479 R N 3.175 123.714 120.500 0.066 0.000 2.221 479 R HA 0.443 4.788 4.340 0.008 0.000 0.327 479 R C -0.947 175.337 176.300 -0.026 0.000 1.033 479 R CA -0.367 55.761 56.100 0.048 0.000 0.887 479 R CB 1.263 31.563 30.300 0.000 0.000 1.057 479 R HN 0.392 nan 8.270 nan 0.000 0.455 480 V N 4.892 124.764 119.914 -0.069 0.000 2.275 480 V HA 0.263 4.388 4.120 0.008 0.000 0.272 480 V C -0.519 175.498 176.094 -0.128 0.000 1.028 480 V CA -0.811 61.310 62.300 -0.298 0.000 0.810 480 V CB 0.224 31.694 31.823 -0.588 0.000 1.043 480 V HN 0.556 nan 8.190 nan 0.000 0.453 481 F N 4.020 123.835 119.950 -0.225 0.000 2.456 481 F HA 0.623 5.155 4.527 0.008 0.000 0.358 481 F C 1.215 176.910 175.800 -0.176 0.000 1.095 481 F CA 1.075 58.980 58.000 -0.158 0.000 1.216 481 F CB 1.076 39.987 39.000 -0.149 0.000 1.125 481 F HN 0.717 nan 8.300 nan 0.000 0.549 482 G N 4.253 112.623 108.800 -0.718 0.000 2.231 482 G HA2 -0.121 3.844 3.960 0.008 0.000 0.206 482 G HA3 -0.121 3.844 3.960 0.008 0.000 0.206 482 G C -0.835 173.859 174.900 -0.342 0.000 0.996 482 G CA -0.008 44.764 45.100 -0.546 0.000 0.645 482 G HN 1.163 nan 8.290 nan 0.000 0.498 483 L N -1.089 119.966 121.223 -0.280 0.000 2.303 483 L HA 1.075 5.420 4.340 0.008 0.000 0.256 483 L C -0.371 176.443 176.870 -0.094 0.000 1.034 483 L CA -1.616 53.113 54.840 -0.184 0.000 0.832 483 L CB 1.295 43.236 42.059 -0.198 0.000 1.403 483 L HN 0.523 nan 8.230 nan 0.000 0.419 484 R N 0.378 120.856 120.500 -0.037 0.000 2.771 484 R HA 0.813 5.158 4.340 0.008 0.000 0.274 484 R C -1.767 174.601 176.300 0.113 0.000 0.987 484 R CA -0.700 55.396 56.100 -0.007 0.000 0.908 484 R CB 1.751 32.000 30.300 -0.086 0.000 1.213 484 R HN 0.935 nan 8.270 nan 0.000 0.468 485 Y N -2.076 118.162 120.300 -0.102 0.000 2.725 485 Y HA 0.691 5.246 4.550 0.008 0.000 0.333 485 Y C -1.816 174.037 175.900 -0.078 0.000 1.242 485 Y CA -1.400 56.652 58.100 -0.079 0.000 1.059 485 Y CB 1.176 39.599 38.460 -0.061 0.000 1.306 485 Y HN 0.261 nan 8.280 nan 0.000 0.454 486 V N 2.604 122.549 119.914 0.052 0.000 2.495 486 V HA 0.529 4.654 4.120 0.008 0.000 0.298 486 V C -1.042 175.088 176.094 0.060 0.000 1.031 486 V CA -0.605 61.663 62.300 -0.054 0.000 0.871 486 V CB 1.451 33.259 31.823 -0.025 0.000 0.988 486 V HN 0.720 nan 8.190 nan 0.000 0.432 487 L N 4.005 125.201 121.223 -0.046 0.000 2.341 487 L HA 0.727 5.072 4.340 0.008 0.000 0.278 487 L C -0.824 176.005 176.870 -0.068 0.000 1.005 487 L CA 0.108 54.960 54.840 0.020 0.000 0.818 487 L CB 1.814 43.880 42.059 0.012 0.000 1.259 487 L HN 0.659 nan 8.230 nan 0.000 0.418 488 D N 6.458 126.818 120.400 -0.066 0.000 2.464 488 D HA 0.402 5.047 4.640 0.008 0.000 0.243 488 D C -2.000 174.197 176.300 -0.170 0.000 1.104 488 D CA -2.096 51.843 54.000 -0.102 0.000 0.883 488 D CB 1.941 42.709 40.800 -0.053 0.000 1.050 488 D HN 0.343 nan 8.370 nan 0.000 0.524 489 P HA -0.073 nan 4.420 nan 0.000 0.219 489 P C 0.329 177.516 177.300 -0.188 0.000 1.146 489 P CA 0.844 63.645 63.100 -0.498 0.000 0.808 489 P CB 0.578 31.872 31.700 -0.677 0.000 0.779 490 D N -0.718 119.613 120.400 -0.115 0.000 2.339 490 D HA 0.167 4.812 4.640 0.008 0.000 0.217 490 D C 0.993 177.280 176.300 -0.021 0.000 1.050 490 D CA 0.074 54.046 54.000 -0.047 0.000 0.856 490 D CB 0.273 41.049 40.800 -0.041 0.000 0.922 490 D HN 0.126 nan 8.370 nan 0.000 0.518 491 A N 1.930 124.736 122.820 -0.025 0.000 2.332 491 A HA 0.425 4.750 4.320 0.008 0.000 0.258 491 A C -2.220 175.372 177.584 0.013 0.000 1.087 491 A CA -0.926 51.108 52.037 -0.005 0.000 0.802 491 A CB 0.017 19.014 19.000 -0.005 0.000 1.042 491 A HN -0.112 nan 8.150 nan 0.000 0.489 492 P HA 0.179 nan 4.420 nan 0.000 0.272 492 P C -0.119 177.197 177.300 0.027 0.000 1.230 492 P CA -0.038 63.074 63.100 0.020 0.000 0.788 492 P CB 0.141 31.849 31.700 0.013 0.000 0.949 493 T N 1.498 116.069 114.554 0.030 0.000 2.908 493 T HA 0.315 4.669 4.350 0.008 0.000 0.301 493 T C 1.384 176.098 174.700 0.023 0.000 1.019 493 T CA 1.638 63.758 62.100 0.032 0.000 1.152 493 T CB -0.474 68.408 68.868 0.023 0.000 0.966 493 T HN 0.815 nan 8.240 nan 0.000 0.540 494 G N 3.312 112.127 108.800 0.025 0.000 2.232 494 G HA2 -0.204 3.761 3.960 0.008 0.000 0.226 494 G HA3 -0.204 3.761 3.960 0.008 0.000 0.226 494 G C 0.449 175.360 174.900 0.018 0.000 0.996 494 G CA 0.221 45.332 45.100 0.018 0.000 0.626 494 G HN 0.695 nan 8.290 nan 0.000 0.509 495 E N -0.490 119.724 120.200 0.022 0.000 2.630 495 E HA 0.251 4.606 4.350 0.008 0.000 0.218 495 E C 2.114 178.728 176.600 0.025 0.000 0.977 495 E CA -0.511 55.901 56.400 0.020 0.000 1.038 495 E CB 0.425 30.133 29.700 0.013 0.000 1.051 495 E HN 0.393 nan 8.360 nan 0.000 0.487 496 R N 0.509 121.032 120.500 0.038 0.000 2.090 496 R HA 0.042 4.387 4.340 0.008 0.000 0.228 496 R C 0.579 176.921 176.300 0.070 0.000 1.110 496 R CA 0.721 56.848 56.100 0.045 0.000 0.973 496 R CB 0.288 30.636 30.300 0.081 0.000 0.869 496 R HN -0.074 nan 8.270 nan 0.000 0.440 497 V N 3.540 123.497 119.914 0.071 0.000 2.398 497 V HA 0.283 4.408 4.120 0.008 0.000 0.286 497 V C -0.018 176.115 176.094 0.065 0.000 1.026 497 V CA -0.658 61.697 62.300 0.091 0.000 0.868 497 V CB 1.297 33.116 31.823 -0.007 0.000 0.982 497 V HN 0.288 nan 8.190 nan 0.000 0.443 498 R N 2.868 123.426 120.500 0.097 0.000 2.795 498 R HA 0.485 4.829 4.340 0.008 0.000 0.268 498 R C -0.397 175.942 176.300 0.066 0.000 1.041 498 R CA -0.885 55.249 56.100 0.057 0.000 0.927 498 R CB 0.879 31.199 30.300 0.034 0.000 1.235 498 R HN 0.639 nan 8.270 nan 0.000 0.463 499 E N 0.135 120.356 120.200 0.035 0.000 2.269 499 E HA -0.143 4.212 4.350 0.008 0.000 0.223 499 E C -0.461 176.161 176.600 0.037 0.000 1.244 499 E CA 0.675 57.090 56.400 0.025 0.000 0.713 499 E CB -1.336 28.371 29.700 0.011 0.000 1.178 499 E HN 0.364 nan 8.360 nan 0.000 0.370 500 V N 1.169 121.102 119.914 0.032 0.000 2.637 500 V HA 0.094 4.219 4.120 0.008 0.000 0.296 500 V C 0.755 176.842 176.094 -0.012 0.000 1.046 500 V CA 0.589 62.901 62.300 0.019 0.000 1.066 500 V CB 1.074 32.878 31.823 -0.032 0.000 0.968 500 V HN 0.209 nan 8.190 nan 0.000 0.483 501 E N 3.097 123.281 120.200 -0.026 0.000 2.272 501 E HA 0.609 4.964 4.350 0.008 0.000 0.269 501 E C -1.642 174.907 176.600 -0.085 0.000 0.877 501 E CA -0.715 55.660 56.400 -0.043 0.000 0.755 501 E CB 2.744 32.422 29.700 -0.036 0.000 1.192 501 E HN 0.404 nan 8.360 nan 0.000 0.422 502 V N 1.546 121.410 119.914 -0.083 0.000 2.407 502 V HA 0.447 4.572 4.120 0.008 0.000 0.291 502 V C 0.720 176.789 176.094 -0.042 0.000 1.018 502 V CA -0.152 62.080 62.300 -0.114 0.000 0.842 502 V CB 1.270 32.961 31.823 -0.220 0.000 0.996 502 V HN 1.004 nan 8.190 nan 0.000 0.426 503 G N 3.740 112.490 108.800 -0.084 0.000 2.323 503 G HA2 0.074 4.039 3.960 0.008 0.000 0.292 503 G HA3 0.074 4.039 3.960 0.008 0.000 0.292 503 G C 1.156 176.030 174.900 -0.044 0.000 1.040 503 G CA 0.676 45.736 45.100 -0.067 0.000 0.942 503 G HN 2.328 nan 8.290 nan 0.000 0.506 504 G N -1.734 107.033 108.800 -0.054 0.000 2.184 504 G HA2 -0.276 3.688 3.960 0.008 0.000 0.264 504 G HA3 -0.276 3.688 3.960 0.008 0.000 0.264 504 G C 0.408 175.296 174.900 -0.020 0.000 0.975 504 G CA 1.125 46.201 45.100 -0.039 0.000 0.642 504 G HN 1.103 nan 8.290 nan 0.000 0.536 505 R N 0.117 120.613 120.500 -0.006 0.000 2.740 505 R HA 0.503 4.848 4.340 0.008 0.000 0.282 505 R C -2.804 173.506 176.300 0.018 0.000 0.969 505 R CA -2.160 53.947 56.100 0.012 0.000 0.918 505 R CB 1.742 32.062 30.300 0.034 0.000 1.175 505 R HN -0.004 nan 8.270 nan 0.000 0.464 506 P HA -0.053 nan 4.420 nan 0.000 0.267 506 P C -0.625 176.703 177.300 0.047 0.000 1.200 506 P CA -0.341 62.771 63.100 0.021 0.000 0.772 506 P CB 0.440 32.151 31.700 0.019 0.000 0.855 507 L N 3.123 124.363 121.223 0.028 0.000 2.499 507 L HA 0.128 4.473 4.340 0.008 0.000 0.273 507 L C 0.152 177.086 176.870 0.107 0.000 1.195 507 L CA 0.535 55.404 54.840 0.048 0.000 0.882 507 L CB -0.290 41.751 42.059 -0.030 0.000 1.133 507 L HN 0.233 nan 8.230 nan 0.000 0.483 508 D N 7.151 127.681 120.400 0.216 0.000 2.373 508 D HA 0.300 4.945 4.640 0.008 0.000 0.227 508 D C -1.836 174.572 176.300 0.179 0.000 1.091 508 D CA -2.271 51.823 54.000 0.157 0.000 0.840 508 D CB 1.665 42.535 40.800 0.116 0.000 1.060 508 D HN 0.353 nan 8.370 nan 0.000 0.502 509 P HA -0.126 nan 4.420 nan 0.000 0.218 509 P C 0.184 177.540 177.300 0.092 0.000 1.148 509 P CA 1.137 64.293 63.100 0.093 0.000 0.822 509 P CB 0.318 32.050 31.700 0.053 0.000 0.784 510 N N -1.659 117.081 118.700 0.066 0.000 2.280 510 N HA 0.021 4.766 4.740 0.008 0.000 0.192 510 N C 0.975 176.494 175.510 0.014 0.000 1.109 510 N CA -0.299 52.773 53.050 0.037 0.000 0.855 510 N CB 0.100 38.596 38.487 0.014 0.000 0.974 510 N HN -0.050 nan 8.380 nan 0.000 0.482 511 R N 1.824 122.334 120.500 0.016 0.000 2.490 511 R HA 0.266 4.611 4.340 0.008 0.000 0.278 511 R C -0.405 175.813 176.300 -0.137 0.000 1.069 511 R CA -0.149 55.871 56.100 -0.133 0.000 1.080 511 R CB 0.582 30.704 30.300 -0.297 0.000 1.030 511 R HN 0.107 nan 8.270 nan 0.000 0.491 512 R N 3.000 123.378 120.500 -0.204 0.000 2.229 512 R HA 0.236 4.581 4.340 0.008 0.000 0.328 512 R C -0.981 175.246 176.300 -0.120 0.000 1.009 512 R CA -0.227 55.837 56.100 -0.060 0.000 0.864 512 R CB 0.910 31.162 30.300 -0.080 0.000 1.085 512 R HN 0.479 nan 8.270 nan 0.000 0.453 513 Y N 1.961 122.348 120.300 0.145 0.000 2.446 513 Y HA 0.294 4.849 4.550 0.008 0.000 0.338 513 Y C -0.130 175.849 175.900 0.132 0.000 1.055 513 Y CA -1.188 56.985 58.100 0.122 0.000 1.101 513 Y CB 1.417 39.910 38.460 0.055 0.000 1.221 513 Y HN 0.339 nan 8.280 nan 0.000 0.460 514 L N 3.152 124.482 121.223 0.178 0.000 2.281 514 L HA 0.704 5.048 4.340 0.008 0.000 0.285 514 L C -0.238 176.502 176.870 -0.217 0.000 1.074 514 L CA -0.081 54.641 54.840 -0.196 0.000 0.817 514 L CB -0.248 41.654 42.059 -0.261 0.000 1.168 514 L HN 0.712 nan 8.230 nan 0.000 0.434 515 A N 4.385 126.939 122.820 -0.444 0.000 2.322 515 A HA 0.985 5.310 4.320 0.008 0.000 0.327 515 A C -0.882 176.280 177.584 -0.705 0.000 1.134 515 A CA -0.123 51.635 52.037 -0.465 0.000 0.831 515 A CB 1.394 20.108 19.000 -0.477 0.000 1.288 515 A HN 1.065 nan 8.150 nan 0.000 0.472 516 A N -0.396 122.210 122.820 -0.356 0.000 2.435 516 A HA 0.938 5.263 4.320 0.008 0.000 0.304 516 A C -0.395 177.253 177.584 0.107 0.000 1.064 516 A CA 0.030 51.933 52.037 -0.223 0.000 0.727 516 A CB 1.457 20.358 19.000 -0.165 0.000 1.284 516 A HN 2.567 nan 8.150 nan 0.000 0.415 517 A N 0.527 123.531 122.820 0.305 0.000 2.604 517 A HA 0.857 5.182 4.320 0.008 0.000 0.295 517 A C -1.272 176.569 177.584 0.428 0.000 1.067 517 A CA -0.336 51.934 52.037 0.388 0.000 0.683 517 A CB 0.973 20.228 19.000 0.426 0.000 1.281 517 A HN 2.186 nan 8.150 nan 0.000 0.407 518 Y N -1.709 118.687 120.300 0.160 0.000 2.597 518 Y HA 0.647 5.202 4.550 0.008 0.000 0.340 518 Y C 0.700 176.552 175.900 -0.079 0.000 1.097 518 Y CA -0.586 57.555 58.100 0.068 0.000 1.037 518 Y CB 1.250 39.700 38.460 -0.018 0.000 1.305 518 Y HN 2.287 nan 8.280 nan 0.000 0.463 519 G N -0.176 108.473 108.800 -0.252 0.000 2.143 519 G HA2 0.172 4.137 3.960 0.008 0.000 0.248 519 G HA3 0.172 4.137 3.960 0.008 0.000 0.248 519 G C 0.081 174.992 174.900 0.019 0.000 0.991 519 G CA 0.369 45.073 45.100 -0.660 0.000 0.689 519 G HN 1.863 nan 8.290 nan 0.000 0.522 520 G N -1.697 107.178 108.800 0.125 0.000 2.871 520 G HA2 0.643 4.608 3.960 0.008 0.000 0.282 520 G HA3 0.643 4.608 3.960 0.008 0.000 0.282 520 G C 0.125 175.048 174.900 0.039 0.000 1.212 520 G CA -0.044 45.129 45.100 0.121 0.000 0.812 520 G HN 0.347 nan 8.290 nan 0.000 0.547 521 R N -0.593 119.868 120.500 -0.066 0.000 2.549 521 R HA 0.226 4.571 4.340 0.008 0.000 0.344 521 R C 1.757 177.895 176.300 -0.270 0.000 0.979 521 R CA -0.339 55.659 56.100 -0.170 0.000 1.140 521 R CB 0.389 30.603 30.300 -0.143 0.000 1.377 521 R HN 0.283 nan 8.270 nan 0.000 0.541 522 L N 2.499 123.563 121.223 -0.266 0.000 2.081 522 L HA -0.245 4.100 4.340 0.008 0.000 0.212 522 L C 2.453 178.901 176.870 -0.704 0.000 1.080 522 L CA 1.924 56.544 54.840 -0.366 0.000 0.754 522 L CB -0.317 41.559 42.059 -0.304 0.000 0.893 522 L HN 0.227 nan 8.230 nan 0.000 0.433 523 Q N -0.260 118.949 119.800 -0.985 0.000 2.297 523 Q HA -0.257 4.088 4.340 0.008 0.000 0.208 523 Q C 2.006 177.495 176.000 -0.853 0.000 0.981 523 Q CA 1.633 56.518 55.803 -1.530 0.000 0.876 523 Q CB -0.796 27.242 28.738 -1.166 0.000 0.921 523 Q HN 0.551 nan 8.270 nan 0.000 0.446 524 R N 0.927 121.092 120.500 -0.559 0.000 2.193 524 R HA -0.055 4.290 4.340 0.008 0.000 0.229 524 R C 2.136 178.275 176.300 -0.268 0.000 1.110 524 R CA 1.446 57.334 56.100 -0.352 0.000 0.988 524 R CB -0.206 29.935 30.300 -0.265 0.000 0.871 524 R HN 0.370 nan 8.270 nan 0.000 0.458 525 V N -3.382 116.361 119.914 -0.285 0.000 3.542 525 V HA 0.371 4.496 4.120 0.008 0.000 0.296 525 V C 0.641 176.669 176.094 -0.111 0.000 1.364 525 V CA 0.005 62.206 62.300 -0.166 0.000 1.118 525 V CB 0.392 32.139 31.823 -0.127 0.000 0.972 525 V HN 0.138 nan 8.190 nan 0.000 0.430 526 G N 0.020 108.712 108.800 -0.179 0.000 2.705 526 G HA2 0.632 4.597 3.960 0.008 0.000 0.299 526 G HA3 0.632 4.597 3.960 0.008 0.000 0.299 526 G C -1.011 173.940 174.900 0.086 0.000 1.315 526 G CA -0.785 44.349 45.100 0.057 0.000 1.045 526 G HN 0.415 nan 8.290 nan 0.000 0.517 527 E N 0.251 120.593 120.200 0.237 0.000 2.092 527 E HA 0.463 4.818 4.350 0.008 0.000 0.271 527 E C 0.184 176.960 176.600 0.292 0.000 0.919 527 E CA -0.509 56.025 56.400 0.223 0.000 0.760 527 E CB 1.625 31.470 29.700 0.243 0.000 1.106 527 E HN 0.618 nan 8.360 nan 0.000 0.408 528 A N 4.330 127.275 122.820 0.207 0.000 2.565 528 A HA -0.062 4.263 4.320 0.008 0.000 0.237 528 A C 0.483 178.208 177.584 0.235 0.000 1.053 528 A CA 0.214 52.387 52.037 0.227 0.000 0.755 528 A CB 0.237 19.346 19.000 0.180 0.000 0.980 528 A HN 0.430 nan 8.150 nan 0.000 0.506 529 K N 2.857 123.361 120.400 0.173 0.000 2.412 529 K HA 0.162 4.487 4.320 0.008 0.000 0.284 529 K C -2.459 174.265 176.600 0.207 0.000 1.046 529 K CA -1.245 55.127 56.287 0.143 0.000 0.999 529 K CB 0.251 32.711 32.500 -0.066 0.000 0.941 529 K HN 0.382 nan 8.250 nan 0.000 0.474 530 P HA 0.066 nan 4.420 nan 0.000 0.268 530 P C 0.492 177.887 177.300 0.159 0.000 1.205 530 P CA 0.400 63.598 63.100 0.164 0.000 0.771 530 P CB 0.696 32.480 31.700 0.139 0.000 0.858 531 G N 1.373 110.253 108.800 0.134 0.000 2.253 531 G HA2 -0.294 3.670 3.960 0.008 0.000 0.251 531 G HA3 -0.294 3.670 3.960 0.008 0.000 0.251 531 G C -0.119 174.866 174.900 0.142 0.000 0.998 531 G CA -0.079 45.094 45.100 0.121 0.000 0.621 531 G HN 0.585 nan 8.290 nan 0.000 0.524 532 Y N 2.234 122.565 120.300 0.053 0.000 2.316 532 Y HA 0.596 5.151 4.550 0.008 0.000 0.331 532 Y C 0.247 176.167 175.900 0.032 0.000 1.083 532 Y CA -0.582 57.538 58.100 0.032 0.000 1.206 532 Y CB 0.937 39.387 38.460 -0.017 0.000 1.195 532 Y HN 0.253 nan 8.280 nan 0.000 0.497 533 E N 8.606 128.338 120.200 -0.780 0.000 2.113 533 E HA 0.372 4.727 4.350 0.008 0.000 0.273 533 E C -2.679 173.328 176.600 -0.988 0.000 0.924 533 E CA -2.599 53.433 56.400 -0.613 0.000 0.764 533 E CB 0.939 30.463 29.700 -0.292 0.000 1.104 533 E HN 0.461 nan 8.360 nan 0.000 0.406 534 P HA -0.023 nan 4.420 nan 0.000 0.264 534 P C -1.105 176.012 177.300 -0.305 0.000 1.183 534 P CA 0.404 63.247 63.100 -0.428 0.000 0.763 534 P CB 0.350 31.818 31.700 -0.387 0.000 0.807 535 R N 2.523 122.909 120.500 -0.190 0.000 2.808 535 R HA 0.691 5.035 4.340 0.008 0.000 0.272 535 R C -3.131 173.099 176.300 -0.117 0.000 0.995 535 R CA -2.703 53.331 56.100 -0.109 0.000 0.917 535 R CB 0.406 30.681 30.300 -0.042 0.000 1.217 535 R HN 0.077 nan 8.270 nan 0.000 0.471 536 P HA -0.015 nan 4.420 nan 0.000 0.264 536 P C 0.483 177.576 177.300 -0.345 0.000 1.193 536 P CA -0.195 62.688 63.100 -0.361 0.000 0.763 536 P CB 0.388 31.721 31.700 -0.610 0.000 0.810 537 I N 4.845 125.193 120.570 -0.371 0.000 2.264 537 I HA -0.298 3.877 4.170 0.008 0.000 0.248 537 I C 1.694 177.714 176.117 -0.162 0.000 1.111 537 I CA 1.711 62.816 61.300 -0.326 0.000 1.382 537 I CB -0.890 36.697 38.000 -0.689 0.000 1.060 537 I HN 0.385 nan 8.210 nan 0.000 0.418 538 Y N -0.224 120.136 120.300 0.101 0.000 2.333 538 Y HA -0.043 4.512 4.550 0.008 0.000 0.290 538 Y C 2.165 178.131 175.900 0.109 0.000 1.144 538 Y CA 1.158 59.331 58.100 0.121 0.000 1.228 538 Y CB -1.691 36.951 38.460 0.303 0.000 0.985 538 Y HN 0.262 nan 8.280 nan 0.000 0.542 539 E N 0.670 121.074 120.200 0.341 0.000 2.107 539 E HA -0.100 4.255 4.350 0.008 0.000 0.191 539 E C 2.227 178.928 176.600 0.168 0.000 0.982 539 E CA 1.281 57.894 56.400 0.355 0.000 0.809 539 E CB -0.107 29.761 29.700 0.280 0.000 0.756 539 E HN 0.376 nan 8.360 nan 0.000 0.459 540 V N 1.429 121.399 119.914 0.093 0.000 2.343 540 V HA -0.257 3.867 4.120 0.008 0.000 0.247 540 V C 2.278 178.389 176.094 0.028 0.000 1.051 540 V CA 1.438 63.780 62.300 0.070 0.000 1.036 540 V CB -0.430 31.440 31.823 0.079 0.000 0.654 540 V HN 0.269 nan 8.190 nan 0.000 0.451 541 L N 0.156 121.370 121.223 -0.015 0.000 2.017 541 L HA -0.145 4.200 4.340 0.008 0.000 0.208 541 L C 2.767 179.604 176.870 -0.055 0.000 1.073 541 L CA 1.615 56.433 54.840 -0.037 0.000 0.745 541 L CB -0.868 41.164 42.059 -0.045 0.000 0.894 541 L HN 0.354 nan 8.230 nan 0.000 0.432 542 A N -0.156 122.561 122.820 -0.172 0.000 1.902 542 A HA -0.228 4.097 4.320 0.008 0.000 0.217 542 A C 2.174 179.727 177.584 -0.052 0.000 1.181 542 A CA 1.692 53.575 52.037 -0.258 0.000 0.623 542 A CB -0.447 18.310 19.000 -0.405 0.000 0.818 542 A HN 0.446 nan 8.150 nan 0.000 0.443 543 E N -1.686 118.533 120.200 0.033 0.000 2.051 543 E HA -0.226 4.129 4.350 0.008 0.000 0.192 543 E C 1.903 178.525 176.600 0.037 0.000 0.991 543 E CA 1.578 58.008 56.400 0.050 0.000 0.799 543 E CB -0.326 29.412 29.700 0.063 0.000 0.748 543 E HN 0.787 nan 8.360 nan 0.000 0.449 544 Y N 1.411 121.664 120.300 -0.078 0.000 2.114 544 Y HA -0.207 4.348 4.550 0.008 0.000 0.284 544 Y C 1.947 177.795 175.900 -0.086 0.000 1.143 544 Y CA 1.455 59.500 58.100 -0.091 0.000 1.135 544 Y CB -0.287 38.102 38.460 -0.118 0.000 0.980 544 Y HN -0.056 nan 8.280 nan 0.000 0.499 545 L N -0.199 120.944 121.223 -0.134 0.000 2.046 545 L HA -0.241 4.103 4.340 0.008 0.000 0.208 545 L C 2.611 179.364 176.870 -0.195 0.000 1.077 545 L CA 1.672 56.384 54.840 -0.214 0.000 0.747 545 L CB -0.573 41.426 42.059 -0.099 0.000 0.896 545 L HN 0.146 nan 8.230 nan 0.000 0.432 546 R N -0.648 119.777 120.500 -0.126 0.000 2.091 546 R HA -0.168 4.177 4.340 0.008 0.000 0.238 546 R C 2.648 178.886 176.300 -0.103 0.000 1.136 546 R CA 1.604 57.655 56.100 -0.081 0.000 0.959 546 R CB -0.466 29.818 30.300 -0.026 0.000 0.856 546 R HN 0.269 nan 8.270 nan 0.000 0.437 547 S N 0.385 116.003 115.700 -0.138 0.000 2.348 547 S HA -0.117 4.358 4.470 0.008 0.000 0.221 547 S C 2.125 176.611 174.600 -0.189 0.000 1.033 547 S CA 1.582 59.697 58.200 -0.141 0.000 1.010 547 S CB -0.253 62.869 63.200 -0.130 0.000 0.891 547 S HN 0.290 nan 8.310 nan 0.000 0.442 548 V N -1.007 118.710 119.914 -0.328 0.000 2.548 548 V HA 0.306 4.430 4.120 0.008 0.000 0.249 548 V C 2.096 178.075 176.094 -0.192 0.000 1.055 548 V CA 1.636 63.750 62.300 -0.309 0.000 1.065 548 V CB -1.583 29.933 31.823 -0.512 0.000 0.681 548 V HN 0.805 nan 8.190 nan 0.000 0.462 549 G N 0.764 109.462 108.800 -0.170 0.000 2.507 549 G HA2 -0.325 3.640 3.960 0.008 0.000 0.240 549 G HA3 -0.325 3.640 3.960 0.008 0.000 0.240 549 G C 0.488 175.340 174.900 -0.079 0.000 1.119 549 G CA 0.654 45.694 45.100 -0.100 0.000 0.664 549 G HN 0.743 nan 8.290 nan 0.000 0.516 550 R N -0.501 119.946 120.500 -0.090 0.000 2.651 550 R HA 0.616 4.961 4.340 0.008 0.000 0.278 550 R C -0.544 175.719 176.300 -0.061 0.000 1.010 550 R CA -0.227 55.840 56.100 -0.054 0.000 0.896 550 R CB 2.916 33.196 30.300 -0.032 0.000 1.211 550 R HN 0.761 nan 8.270 nan 0.000 0.456 551 V N -0.840 119.059 119.914 -0.026 0.000 3.001 551 V HA 0.712 4.837 4.120 0.008 0.000 0.314 551 V C -0.473 175.628 176.094 0.012 0.000 1.099 551 V CA -1.023 61.273 62.300 -0.006 0.000 0.989 551 V CB 2.154 33.987 31.823 0.016 0.000 1.040 551 V HN 0.868 nan 8.190 nan 0.000 0.434 552 R N 2.114 122.625 120.500 0.017 0.000 2.818 552 R HA 0.522 4.866 4.340 0.008 0.000 0.258 552 R C -1.820 174.495 176.300 0.026 0.000 1.797 552 R CA -0.290 55.825 56.100 0.025 0.000 1.532 552 R CB 1.441 31.755 30.300 0.023 0.000 1.413 552 R HN 0.760 nan 8.270 nan 0.000 0.622 553 V N 4.811 124.736 119.914 0.020 0.000 2.427 553 V HA 0.333 4.458 4.120 0.008 0.000 0.268 553 V C 0.566 176.690 176.094 0.051 0.000 1.046 553 V CA -0.294 62.013 62.300 0.011 0.000 0.970 553 V CB 0.835 32.630 31.823 -0.046 0.000 1.001 553 V HN 0.426 nan 8.190 nan 0.000 0.476 554 R N 5.341 125.881 120.500 0.066 0.000 2.349 554 R HA 0.370 4.715 4.340 0.008 0.000 0.299 554 R C -2.619 173.761 176.300 0.133 0.000 1.027 554 R CA -2.180 53.974 56.100 0.090 0.000 0.958 554 R CB 1.043 31.383 30.300 0.067 0.000 1.047 554 R HN 0.385 nan 8.270 nan 0.000 0.468 555 P HA 0.060 nan 4.420 nan 0.000 0.265 555 P C -0.823 176.532 177.300 0.092 0.000 1.222 555 P CA 0.352 63.606 63.100 0.256 0.000 0.767 555 P CB 0.365 32.242 31.700 0.296 0.000 0.801 556 E N 4.765 124.968 120.200 0.005 0.000 3.108 556 E HA 0.189 4.544 4.350 0.008 0.000 0.228 556 E C -2.316 173.973 176.600 -0.520 0.000 1.176 556 E CA -1.916 54.389 56.400 -0.158 0.000 0.881 556 E CB 0.709 30.394 29.700 -0.025 0.000 1.354 556 E HN 0.398 nan 8.360 nan 0.000 0.400 557 P HA -0.044 nan 4.420 nan 0.000 0.265 557 P C -0.026 176.913 177.300 -0.601 0.000 1.193 557 P CA 0.037 62.452 63.100 -1.141 0.000 0.765 557 P CB 0.568 31.777 31.700 -0.818 0.000 0.823 558 N N 1.409 119.825 118.700 -0.473 0.000 2.273 558 N HA 0.104 4.849 4.740 0.008 0.000 0.231 558 N C -0.826 174.457 175.510 -0.379 0.000 1.134 558 N CA -0.295 52.580 53.050 -0.291 0.000 0.856 558 N CB 0.096 38.507 38.487 -0.127 0.000 1.068 558 N HN 0.072 nan 8.380 nan 0.000 0.510 559 V N 0.125 119.720 119.914 -0.532 0.000 2.686 559 V HA 0.365 4.489 4.120 0.008 0.000 0.306 559 V C -0.420 175.353 176.094 -0.535 0.000 1.065 559 V CA -0.967 60.923 62.300 -0.684 0.000 0.894 559 V CB 2.288 33.597 31.823 -0.857 0.000 1.004 559 V HN 0.012 nan 8.190 nan 0.000 0.424 560 K N 2.789 122.948 120.400 -0.401 0.000 2.185 560 K HA 0.715 5.040 4.320 0.008 0.000 0.269 560 K C -1.105 175.367 176.600 -0.213 0.000 0.987 560 K CA -0.629 55.506 56.287 -0.253 0.000 0.865 560 K CB 2.223 34.621 32.500 -0.170 0.000 1.090 560 K HN 0.484 nan 8.250 nan 0.000 0.450 561 V N 5.110 124.941 119.914 -0.137 0.000 2.347 561 V HA 0.212 4.337 4.120 0.008 0.000 0.280 561 V C 0.211 176.268 176.094 -0.062 0.000 1.021 561 V CA -0.996 61.249 62.300 -0.092 0.000 0.847 561 V CB 0.891 32.701 31.823 -0.021 0.000 0.990 561 V HN 0.632 nan 8.190 nan 0.000 0.444 562 I N 4.151 124.678 120.570 -0.072 0.000 2.648 562 I HA 0.279 4.454 4.170 0.008 0.000 0.284 562 I C 1.503 177.590 176.117 -0.050 0.000 1.153 562 I CA 1.116 62.384 61.300 -0.054 0.000 1.426 562 I CB 0.046 38.015 38.000 -0.052 0.000 1.381 562 I HN 0.970 nan 8.210 nan 0.000 0.571 563 G N 5.883 114.664 108.800 -0.033 0.000 2.162 563 G HA2 -0.226 3.738 3.960 0.008 0.000 0.260 563 G HA3 -0.226 3.738 3.960 0.008 0.000 0.260 563 G C 0.345 175.235 174.900 -0.017 0.000 0.976 563 G CA -0.151 44.933 45.100 -0.026 0.000 0.655 563 G HN 0.546 nan 8.290 nan 0.000 0.533 564 R N -0.595 119.900 120.500 -0.008 0.000 2.740 564 R HA 0.414 4.759 4.340 0.008 0.000 0.273 564 R C -1.088 175.230 176.300 0.030 0.000 0.998 564 R CA -1.059 55.047 56.100 0.011 0.000 0.900 564 R CB 0.723 31.035 30.300 0.020 0.000 1.223 564 R HN 0.108 nan 8.270 nan 0.000 0.466 565 N N 1.597 120.316 118.700 0.031 0.000 2.414 565 N HA 0.110 4.855 4.740 0.008 0.000 0.256 565 N C -0.923 174.613 175.510 0.043 0.000 1.029 565 N CA -0.168 52.904 53.050 0.038 0.000 0.948 565 N CB 0.717 39.216 38.487 0.020 0.000 1.102 565 N HN 0.415 nan 8.380 nan 0.000 0.496 566 Y N 3.424 123.710 120.300 -0.023 0.000 2.365 566 Y HA 0.202 4.757 4.550 0.008 0.000 0.340 566 Y C 0.124 176.008 175.900 -0.026 0.000 1.016 566 Y CA -0.318 57.766 58.100 -0.027 0.000 1.196 566 Y CB 0.411 38.840 38.460 -0.052 0.000 1.167 566 Y HN 0.235 nan 8.280 nan 0.000 0.509 567 R N 6.312 126.407 120.500 -0.675 0.000 2.598 567 R HA 0.596 4.941 4.340 0.008 0.000 0.279 567 R C -1.274 174.728 176.300 -0.496 0.000 0.984 567 R CA -0.897 54.955 56.100 -0.414 0.000 0.999 567 R CB 1.472 31.608 30.300 -0.274 0.000 1.114 567 R HN 0.792 nan 8.270 nan 0.000 0.493 568 L N 2.779 123.853 121.223 -0.249 0.000 2.388 568 L HA 0.543 4.888 4.340 0.008 0.000 0.264 568 L C -2.075 174.682 176.870 -0.188 0.000 0.998 568 L CA -1.973 52.761 54.840 -0.176 0.000 0.817 568 L CB 2.706 44.786 42.059 0.036 0.000 1.338 568 L HN 0.371 nan 8.230 nan 0.000 0.414 569 P HA 0.218 nan 4.420 nan 0.000 0.279 569 P C -1.306 176.033 177.300 0.066 0.000 1.276 569 P CA -0.583 62.490 63.100 -0.045 0.000 0.801 569 P CB 0.754 32.327 31.700 -0.212 0.000 1.127 570 E N 0.359 120.633 120.200 0.123 0.000 2.194 570 E HA 0.118 4.473 4.350 0.008 0.000 0.284 570 E C 0.827 177.502 176.600 0.124 0.000 1.035 570 E CA -0.387 56.079 56.400 0.110 0.000 0.836 570 E CB 0.873 30.632 29.700 0.098 0.000 1.070 570 E HN 0.249 nan 8.360 nan 0.000 0.401 571 V N 0.380 120.369 119.914 0.125 0.000 3.649 571 V HA 0.114 4.239 4.120 0.008 0.000 0.275 571 V C 0.656 176.818 176.094 0.114 0.000 1.281 571 V CA 0.430 62.819 62.300 0.148 0.000 1.143 571 V CB -0.470 31.461 31.823 0.181 0.000 0.892 571 V HN 0.536 nan 8.190 nan 0.000 0.441 572 T N -2.761 111.844 114.554 0.085 0.000 2.927 572 T HA 0.863 5.218 4.350 0.008 0.000 0.286 572 T C 0.253 174.976 174.700 0.039 0.000 1.040 572 T CA -0.058 62.077 62.100 0.057 0.000 1.010 572 T CB 1.679 70.574 68.868 0.045 0.000 1.177 572 T HN 1.837 nan 8.240 nan 0.000 0.546 573 G N 0.000 108.810 108.800 0.017 0.000 5.446 573 G HA2 0.000 3.965 3.960 0.008 0.000 0.244 573 G HA3 0.000 3.965 3.960 0.008 0.000 0.244 573 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 573 G HN 0.000 nan 8.290 nan 0.000 0.925