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 2fxg_1_B DATA FIRST_RESID 35 DATA SEQUENCE NGTSNRDWWP NQLDLSILHR HSSLSDPMGK DFNYAQAFEK LDLAAVKRDL DATA SEQUENCE HALMTTSQDW WPADFGHYGG LFIRMAWHSA GTYRTADGRG GAGEGQQRFA DATA SEQUENCE PLNSWPDNAN LDKARRLLWP IKQKYGRAIS WADLLILTGN VALESMGFKT DATA SEQUENCE FGFAGGRADT WEPEDVYWGS EKIWLELSGG PNSRYSGDRQ LENPLAAVQM DATA SEQUENCE GLIYVNPEGP DGNPDPVAAA RDIRDTFARM AMNDEETVAL IAGGHTFGKT DATA SEQUENCE HGAGPASNVG AEPEAAGIEA QGLGWKSAYR TGKGADAITS GLEVTWTTTP DATA SEQUENCE TQWSHNFFEN LFGYEWELTK SPAGAHQWVA KGADAVIPDA FDPSKKHRPT DATA SEQUENCE MLTTDLSLRF DPAYEKISRR FHENPEQFAD AFARAWFKLT HRDMGPRARY DATA SEQUENCE LGPEVPAEVL LWQDPIPAVD HPLIDAADAA ELKAKVLASG LTVSQLVSTA DATA SEQUENCE WAAASTFRGS DKRGGANGAR IRLAPQKDWE ANQPEQLAAV LETLEAIRTA DATA SEQUENCE FNGAQRGGKQ VSLADLIVLA GCAGVEQAAK NAGHAVTVPF APGRADASQE DATA SEQUENCE QTDVESMAVL EPVADGFRNY LKGKYRVPAE VLLVDKAQLL TLSAPEMTVL DATA SEQUENCE LGGLRVLGAN VGQSRHGVFT AREQALTNDF FVNLLDMGTE WKPTAADADV DATA SEQUENCE FEGRDRATGE LKWTGTRVDL VFGSHSQLRA LAEVYGSADA QEKFVRDFVA DATA SEQUENCE VWNKVMNLDR FDLA 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 35 N HA 0.000 nan 4.740 nan 0.000 0.220 35 N C 0.000 175.477 175.510 -0.055 0.000 1.280 35 N CA 0.000 53.022 53.050 -0.046 0.000 0.885 35 N CB 0.000 38.458 38.487 -0.049 0.000 1.341 36 G N 0.733 109.507 108.800 -0.043 0.000 2.354 36 G HA2 0.475 4.438 3.960 0.004 0.000 0.266 36 G HA3 0.475 4.438 3.960 0.004 0.000 0.266 36 G C 0.381 175.237 174.900 -0.073 0.000 1.242 36 G CA 0.679 45.757 45.100 -0.036 0.000 0.923 36 G HN 0.961 nan 8.290 nan 0.000 0.476 37 T N 1.362 115.855 114.554 -0.103 0.000 2.916 37 T HA 0.375 4.728 4.350 0.004 0.000 0.303 37 T C 0.826 175.438 174.700 -0.147 0.000 1.025 37 T CA 0.061 62.013 62.100 -0.247 0.000 1.142 37 T CB 1.188 69.798 68.868 -0.429 0.000 0.947 37 T HN 0.729 nan 8.240 nan 0.000 0.544 38 S N 1.911 117.476 115.700 -0.224 0.000 2.648 38 S HA 0.346 4.818 4.470 0.004 0.000 0.305 38 S C 1.067 175.677 174.600 0.017 0.000 1.094 38 S CA -0.931 57.243 58.200 -0.042 0.000 0.983 38 S CB 1.178 64.355 63.200 -0.038 0.000 1.101 38 S HN 0.523 nan 8.310 nan 0.000 0.514 39 N N 1.393 120.233 118.700 0.233 0.000 2.166 39 N HA -0.052 4.690 4.740 0.004 0.000 0.186 39 N C 1.612 177.315 175.510 0.322 0.000 1.019 39 N CA 0.940 54.261 53.050 0.451 0.000 0.856 39 N CB -0.610 38.169 38.487 0.487 0.000 0.993 39 N HN 0.604 nan 8.380 nan 0.000 0.426 40 R N 1.058 121.655 120.500 0.162 0.000 2.105 40 R HA -0.073 4.270 4.340 0.004 0.000 0.239 40 R C 1.124 177.415 176.300 -0.015 0.000 1.135 40 R CA 1.273 57.429 56.100 0.094 0.000 0.967 40 R CB -0.100 30.234 30.300 0.055 0.000 0.861 40 R HN 0.200 nan 8.270 nan 0.000 0.442 41 D N -1.284 119.023 120.400 -0.155 0.000 2.097 41 D HA -0.174 4.468 4.640 0.004 0.000 0.197 41 D C 1.665 177.727 176.300 -0.397 0.000 0.984 41 D CA 1.217 55.017 54.000 -0.334 0.000 0.826 41 D CB -0.397 40.074 40.800 -0.549 0.000 0.973 41 D HN 0.339 nan 8.370 nan 0.000 0.460 42 W N -0.299 120.743 121.300 -0.429 0.000 2.418 42 W HA -0.032 4.630 4.660 0.004 0.000 0.292 42 W C 0.607 176.534 176.519 -0.987 0.000 1.213 42 W CA 0.064 56.849 57.345 -0.934 0.000 1.283 42 W CB 0.123 28.474 29.460 -1.847 0.000 1.119 42 W HN -0.059 nan 8.180 nan 0.000 0.542 43 W N 1.079 122.516 121.300 0.229 0.000 2.291 43 W HA 0.231 4.893 4.660 0.004 0.000 0.288 43 W C -2.007 174.561 176.519 0.082 0.000 0.976 43 W CA -1.726 55.698 57.345 0.131 0.000 1.744 43 W CB -0.190 29.334 29.460 0.108 0.000 1.815 43 W HN -0.181 nan 8.180 nan 0.000 0.396 44 P HA -0.096 nan 4.420 nan 0.000 0.229 44 P C 0.754 178.115 177.300 0.102 0.000 1.160 44 P CA 1.198 64.356 63.100 0.096 0.000 0.777 44 P CB 0.514 32.236 31.700 0.036 0.000 0.814 45 N N -0.619 118.156 118.700 0.126 0.000 2.280 45 N HA 0.023 4.766 4.740 0.004 0.000 0.192 45 N C 0.935 176.506 175.510 0.102 0.000 1.109 45 N CA 0.124 53.231 53.050 0.095 0.000 0.855 45 N CB -0.047 38.489 38.487 0.082 0.000 0.974 45 N HN 0.226 nan 8.380 nan 0.000 0.482 46 Q N 1.018 120.909 119.800 0.151 0.000 2.474 46 Q HA 0.134 4.476 4.340 0.004 0.000 0.256 46 Q C -0.458 175.614 176.000 0.119 0.000 1.048 46 Q CA -0.303 55.583 55.803 0.139 0.000 0.922 46 Q CB 0.500 29.334 28.738 0.160 0.000 1.288 46 Q HN 0.113 nan 8.270 nan 0.000 0.484 47 L N 2.568 123.868 121.223 0.129 0.000 2.410 47 L HA 0.216 4.558 4.340 0.004 0.000 0.273 47 L C -0.909 175.997 176.870 0.061 0.000 1.152 47 L CA 0.557 55.418 54.840 0.035 0.000 0.855 47 L CB 0.696 42.701 42.059 -0.090 0.000 1.129 47 L HN 0.708 nan 8.230 nan 0.000 0.463 48 D N 3.950 124.355 120.400 0.009 0.000 2.412 48 D HA 0.224 4.866 4.640 0.004 0.000 0.224 48 D C 0.642 176.920 176.300 -0.036 0.000 1.093 48 D CA -0.094 53.917 54.000 0.018 0.000 0.850 48 D CB 0.601 41.410 40.800 0.015 0.000 1.046 48 D HN 0.614 nan 8.370 nan 0.000 0.507 49 L N 2.656 123.866 121.223 -0.022 0.000 2.591 49 L HA 0.024 4.366 4.340 0.004 0.000 0.228 49 L C 2.197 179.011 176.870 -0.093 0.000 1.133 49 L CA 0.155 54.972 54.840 -0.037 0.000 0.880 49 L CB -0.238 41.833 42.059 0.020 0.000 1.033 49 L HN 0.426 nan 8.230 nan 0.000 0.450 50 S N 0.925 116.525 115.700 -0.167 0.000 2.419 50 S HA -0.204 4.269 4.470 0.004 0.000 0.233 50 S C 1.930 176.262 174.600 -0.447 0.000 1.016 50 S CA 1.097 58.988 58.200 -0.514 0.000 0.974 50 S CB -0.708 62.344 63.200 -0.247 0.000 0.786 50 S HN 0.616 nan 8.310 nan 0.000 0.492 51 I N -1.065 119.383 120.570 -0.203 0.000 2.700 51 I HA -0.003 4.170 4.170 0.004 0.000 0.261 51 I C 1.955 178.013 176.117 -0.099 0.000 1.219 51 I CA 1.191 62.414 61.300 -0.127 0.000 1.463 51 I CB -0.406 37.546 38.000 -0.079 0.000 1.092 51 I HN 0.230 nan 8.210 nan 0.000 0.452 52 L N 1.528 122.694 121.223 -0.094 0.000 2.341 52 L HA 0.000 4.343 4.340 0.004 0.000 0.214 52 L C 1.407 178.314 176.870 0.063 0.000 1.115 52 L CA 0.478 55.317 54.840 -0.002 0.000 0.820 52 L CB -0.581 41.508 42.059 0.050 0.000 0.944 52 L HN 0.565 nan 8.230 nan 0.000 0.452 53 H N -1.398 117.703 119.070 0.052 0.000 2.412 53 H HA 0.381 4.939 4.556 0.004 0.000 0.239 53 H C -0.046 175.327 175.328 0.075 0.000 1.388 53 H CA -0.772 55.315 56.048 0.065 0.000 1.148 53 H CB 0.309 30.109 29.762 0.064 0.000 1.637 53 H HN 0.032 nan 8.280 nan 0.000 0.542 54 R N 0.150 120.701 120.500 0.085 0.000 2.527 54 R HA 0.195 4.537 4.340 0.004 0.000 0.243 54 R C 0.717 177.179 176.300 0.269 0.000 1.206 54 R CA -0.738 55.450 56.100 0.146 0.000 1.134 54 R CB -0.117 30.267 30.300 0.140 0.000 1.347 54 R HN 0.683 nan 8.270 nan 0.000 0.580 55 H N -1.625 117.492 119.070 0.078 0.000 3.141 55 H HA -0.168 4.391 4.556 0.004 0.000 0.260 55 H C 0.066 175.466 175.328 0.120 0.000 1.132 55 H CA 0.850 56.963 56.048 0.109 0.000 1.171 55 H CB -0.947 28.875 29.762 0.100 0.000 1.274 55 H HN 0.592 nan 8.280 nan 0.000 0.329 56 S N 0.533 116.356 115.700 0.205 0.000 2.579 56 S HA 0.176 4.648 4.470 0.004 0.000 0.275 56 S C 1.628 176.294 174.600 0.110 0.000 1.345 56 S CA 0.085 58.375 58.200 0.151 0.000 1.031 56 S CB 1.777 65.058 63.200 0.134 0.000 0.892 56 S HN 0.400 nan 8.310 nan 0.000 0.529 57 S N 2.912 118.662 115.700 0.084 0.000 2.474 57 S HA -0.049 4.423 4.470 0.004 0.000 0.235 57 S C 1.689 176.300 174.600 0.019 0.000 0.997 57 S CA 0.662 58.894 58.200 0.052 0.000 0.949 57 S CB -0.899 62.330 63.200 0.048 0.000 0.766 57 S HN 0.706 nan 8.310 nan 0.000 0.517 58 L N 2.173 123.410 121.223 0.024 0.000 2.017 58 L HA -0.090 4.253 4.340 0.004 0.000 0.208 58 L C 3.016 179.879 176.870 -0.010 0.000 1.073 58 L CA 1.602 56.445 54.840 0.005 0.000 0.745 58 L CB -0.783 41.283 42.059 0.012 0.000 0.894 58 L HN 0.578 nan 8.230 nan 0.000 0.432 59 S N -2.279 113.428 115.700 0.011 0.000 2.562 59 S HA -0.055 4.418 4.470 0.004 0.000 0.221 59 S C 0.698 175.258 174.600 -0.067 0.000 0.975 59 S CA -0.113 58.090 58.200 0.005 0.000 0.918 59 S CB -0.290 62.942 63.200 0.053 0.000 0.772 59 S HN 0.296 nan 8.310 nan 0.000 0.531 60 D N 2.833 123.160 120.400 -0.123 0.000 2.280 60 D HA 0.288 4.930 4.640 0.004 0.000 0.243 60 D C -1.638 174.389 176.300 -0.455 0.000 1.129 60 D CA -2.146 51.638 54.000 -0.359 0.000 0.848 60 D CB 1.903 42.642 40.800 -0.103 0.000 1.107 60 D HN 0.067 nan 8.370 nan 0.000 0.471 61 P HA 0.038 nan 4.420 nan 0.000 0.241 61 P C 0.348 177.406 177.300 -0.404 0.000 1.191 61 P CA 0.115 62.896 63.100 -0.531 0.000 0.771 61 P CB 0.306 31.622 31.700 -0.640 0.000 0.929 62 M N 0.096 119.450 119.600 -0.411 0.000 2.359 62 M HA 0.374 4.857 4.480 0.004 0.000 0.322 62 M C 1.251 177.493 176.300 -0.097 0.000 1.166 62 M CA -1.103 54.023 55.300 -0.290 0.000 1.067 62 M CB -0.033 32.370 32.600 -0.329 0.000 1.523 62 M HN -0.184 nan 8.290 nan 0.000 0.467 63 G N 1.269 110.058 108.800 -0.018 0.000 2.670 63 G HA2 -0.025 3.938 3.960 0.004 0.000 0.233 63 G HA3 -0.025 3.938 3.960 0.004 0.000 0.233 63 G C 0.657 175.627 174.900 0.116 0.000 1.251 63 G CA -0.336 44.802 45.100 0.063 0.000 0.849 63 G HN 0.806 nan 8.290 nan 0.000 0.588 64 K N -0.041 120.410 120.400 0.086 0.000 2.283 64 K HA -0.035 4.287 4.320 0.004 0.000 0.202 64 K C 0.690 177.360 176.600 0.116 0.000 1.048 64 K CA 1.002 57.346 56.287 0.095 0.000 0.948 64 K CB 0.294 32.833 32.500 0.063 0.000 0.742 64 K HN 0.466 nan 8.250 nan 0.000 0.458 65 D N 0.290 120.763 120.400 0.122 0.000 2.388 65 D HA 0.002 4.645 4.640 0.004 0.000 0.221 65 D C -0.389 176.008 176.300 0.161 0.000 1.133 65 D CA -0.155 53.913 54.000 0.114 0.000 0.831 65 D CB 0.045 40.893 40.800 0.080 0.000 0.962 65 D HN 0.003 nan 8.370 nan 0.000 0.502 66 F N 2.713 122.707 119.950 0.074 0.000 2.543 66 F HA 0.143 4.673 4.527 0.004 0.000 0.375 66 F C 0.293 176.171 175.800 0.130 0.000 1.075 66 F CA -0.498 57.563 58.000 0.102 0.000 1.225 66 F CB 0.434 39.502 39.000 0.114 0.000 1.099 66 F HN -0.260 nan 8.300 nan 0.000 0.561 67 N N 6.115 124.470 118.700 -0.576 0.000 2.518 67 N HA 0.031 4.774 4.740 0.004 0.000 0.254 67 N C 0.222 175.289 175.510 -0.739 0.000 0.979 67 N CA -0.430 52.343 53.050 -0.461 0.000 0.930 67 N CB 0.341 38.719 38.487 -0.181 0.000 1.152 67 N HN 0.755 nan 8.380 nan 0.000 0.505 68 Y N 4.570 124.435 120.300 -0.725 0.000 2.200 68 Y HA -0.039 4.514 4.550 0.004 0.000 0.290 68 Y C 1.959 177.804 175.900 -0.092 0.000 1.137 68 Y CA 2.152 60.022 58.100 -0.383 0.000 1.163 68 Y CB -0.336 38.116 38.460 -0.013 0.000 0.988 68 Y HN 0.635 nan 8.280 nan 0.000 0.518 69 A N 0.352 123.028 122.820 -0.239 0.000 1.917 69 A HA -0.307 4.015 4.320 0.004 0.000 0.219 69 A C 2.151 179.649 177.584 -0.143 0.000 1.182 69 A CA 2.237 54.157 52.037 -0.196 0.000 0.633 69 A CB -0.825 18.135 19.000 -0.068 0.000 0.819 69 A HN 0.685 nan 8.150 nan 0.000 0.448 70 Q N -0.970 118.747 119.800 -0.138 0.000 2.079 70 Q HA -0.070 4.272 4.340 0.004 0.000 0.200 70 Q C 2.473 178.431 176.000 -0.070 0.000 0.974 70 Q CA 1.277 57.029 55.803 -0.085 0.000 0.840 70 Q CB -0.364 28.330 28.738 -0.073 0.000 0.898 70 Q HN 0.702 nan 8.270 nan 0.000 0.430 71 A N 0.522 123.285 122.820 -0.094 0.000 1.902 71 A HA -0.190 4.132 4.320 0.004 0.000 0.217 71 A C 1.855 179.427 177.584 -0.020 0.000 1.181 71 A CA 1.118 53.166 52.037 0.018 0.000 0.623 71 A CB -0.769 18.363 19.000 0.220 0.000 0.818 71 A HN 0.452 nan 8.150 nan 0.000 0.443 72 F N 0.909 120.659 119.950 -0.334 0.000 2.186 72 F HA -0.110 4.419 4.527 0.005 0.000 0.299 72 F C 2.097 177.811 175.800 -0.143 0.000 1.090 72 F CA 1.975 59.800 58.000 -0.292 0.000 1.307 72 F CB -0.181 38.487 39.000 -0.554 0.000 1.019 72 F HN 0.342 nan 8.300 nan 0.000 0.489 73 E N 0.022 120.203 120.200 -0.032 0.000 2.267 73 E HA -0.213 4.140 4.350 0.004 0.000 0.197 73 E C 1.737 178.258 176.600 -0.132 0.000 0.998 73 E CA 1.119 57.482 56.400 -0.061 0.000 0.830 73 E CB -0.101 29.600 29.700 0.002 0.000 0.751 73 E HN 0.462 nan 8.360 nan 0.000 0.491 74 K N 0.287 120.615 120.400 -0.120 0.000 2.393 74 K HA 0.061 4.383 4.320 0.004 0.000 0.193 74 K C 0.363 176.888 176.600 -0.124 0.000 1.026 74 K CA -0.266 55.967 56.287 -0.091 0.000 1.064 74 K CB 0.218 32.698 32.500 -0.033 0.000 0.833 74 K HN 0.020 nan 8.250 nan 0.000 0.521 75 L N 2.105 123.187 121.223 -0.234 0.000 2.456 75 L HA 0.022 4.365 4.340 0.004 0.000 0.272 75 L C -0.041 176.684 176.870 -0.242 0.000 1.189 75 L CA 0.251 54.945 54.840 -0.244 0.000 0.846 75 L CB 0.572 42.376 42.059 -0.426 0.000 1.111 75 L HN -0.056 nan 8.230 nan 0.000 0.475 76 D N 4.040 124.349 120.400 -0.151 0.000 2.470 76 D HA 0.003 4.645 4.640 0.004 0.000 0.226 76 D C 0.930 177.101 176.300 -0.216 0.000 1.196 76 D CA -0.100 53.821 54.000 -0.132 0.000 0.979 76 D CB 0.394 41.175 40.800 -0.032 0.000 1.059 76 D HN 0.617 nan 8.370 nan 0.000 0.515 77 L N 4.341 125.422 121.223 -0.236 0.000 2.046 77 L HA -0.068 4.274 4.340 0.004 0.000 0.208 77 L C 2.127 178.896 176.870 -0.168 0.000 1.077 77 L CA 2.048 56.750 54.840 -0.231 0.000 0.747 77 L CB -0.645 41.317 42.059 -0.162 0.000 0.896 77 L HN 0.387 nan 8.230 nan 0.000 0.432 78 A N -0.520 122.234 122.820 -0.111 0.000 1.940 78 A HA -0.186 4.137 4.320 0.004 0.000 0.219 78 A C 2.443 179.988 177.584 -0.064 0.000 1.176 78 A CA 2.005 54.001 52.037 -0.069 0.000 0.631 78 A CB -1.139 17.834 19.000 -0.046 0.000 0.814 78 A HN 0.578 nan 8.150 nan 0.000 0.446 79 A N -0.634 122.142 122.820 -0.073 0.000 1.930 79 A HA 0.070 4.393 4.320 0.004 0.000 0.217 79 A C 2.212 179.761 177.584 -0.057 0.000 1.175 79 A CA 1.587 53.616 52.037 -0.014 0.000 0.627 79 A CB -0.894 18.151 19.000 0.075 0.000 0.815 79 A HN 0.401 nan 8.150 nan 0.000 0.443 80 V N 0.498 120.219 119.914 -0.321 0.000 2.252 80 V HA -0.336 3.787 4.120 0.004 0.000 0.249 80 V C 2.437 178.430 176.094 -0.168 0.000 1.056 80 V CA 2.495 64.537 62.300 -0.429 0.000 1.022 80 V CB -0.805 30.648 31.823 -0.618 0.000 0.641 80 V HN 0.552 nan 8.190 nan 0.000 0.445 81 K N -0.329 119.994 120.400 -0.128 0.000 2.097 81 K HA -0.152 4.170 4.320 0.004 0.000 0.206 81 K C 2.390 179.043 176.600 0.088 0.000 1.049 81 K CA 1.313 57.573 56.287 -0.045 0.000 0.933 81 K CB -0.267 32.222 32.500 -0.018 0.000 0.717 81 K HN 0.411 nan 8.250 nan 0.000 0.442 82 R N 0.916 121.457 120.500 0.068 0.000 2.091 82 R HA -0.142 4.200 4.340 0.004 0.000 0.238 82 R C 1.804 178.162 176.300 0.096 0.000 1.136 82 R CA 1.586 57.740 56.100 0.090 0.000 0.959 82 R CB -0.241 30.082 30.300 0.039 0.000 0.856 82 R HN 0.215 nan 8.270 nan 0.000 0.437 83 D N 0.668 121.110 120.400 0.071 0.000 2.117 83 D HA -0.117 4.526 4.640 0.004 0.000 0.197 83 D C 2.004 178.330 176.300 0.042 0.000 0.987 83 D CA 0.996 55.039 54.000 0.072 0.000 0.829 83 D CB -0.119 40.754 40.800 0.122 0.000 0.961 83 D HN 0.168 nan 8.370 nan 0.000 0.460 84 L N 0.262 121.480 121.223 -0.009 0.000 2.046 84 L HA -0.177 4.165 4.340 0.004 0.000 0.208 84 L C 2.540 179.377 176.870 -0.055 0.000 1.077 84 L CA 1.022 55.810 54.840 -0.087 0.000 0.747 84 L CB -0.498 41.448 42.059 -0.189 0.000 0.896 84 L HN 0.188 nan 8.230 nan 0.000 0.432 85 H N -0.153 118.904 119.070 -0.020 0.000 2.319 85 H HA -0.178 4.380 4.556 0.004 0.000 0.297 85 H C 2.260 177.593 175.328 0.009 0.000 1.097 85 H CA 1.736 57.786 56.048 0.004 0.000 1.285 85 H CB -0.007 29.758 29.762 0.005 0.000 1.368 85 H HN 0.386 nan 8.280 nan 0.000 0.495 86 A N 1.000 123.905 122.820 0.142 0.000 1.902 86 A HA -0.145 4.178 4.320 0.004 0.000 0.217 86 A C 2.513 180.146 177.584 0.083 0.000 1.181 86 A CA 1.374 53.464 52.037 0.089 0.000 0.623 86 A CB -0.757 18.285 19.000 0.070 0.000 0.818 86 A HN 0.316 nan 8.150 nan 0.000 0.443 87 L N -0.824 120.455 121.223 0.093 0.000 2.131 87 L HA -0.138 4.205 4.340 0.004 0.000 0.210 87 L C 2.224 179.228 176.870 0.224 0.000 1.092 87 L CA 1.749 56.679 54.840 0.150 0.000 0.759 87 L CB -0.512 41.621 42.059 0.124 0.000 0.903 87 L HN 0.296 nan 8.230 nan 0.000 0.435 88 M N -0.443 119.234 119.600 0.129 0.000 2.143 88 M HA -0.160 4.323 4.480 0.004 0.000 0.258 88 M C 1.650 177.869 176.300 -0.136 0.000 1.071 88 M CA 2.104 57.421 55.300 0.030 0.000 1.088 88 M CB -1.822 30.637 32.600 -0.236 0.000 1.360 88 M HN 0.613 nan 8.290 nan 0.000 0.404 89 T N -4.090 110.403 114.554 -0.101 0.000 3.228 89 T HA 0.191 4.543 4.350 0.004 0.000 0.278 89 T C 0.210 174.891 174.700 -0.031 0.000 1.014 89 T CA -0.347 61.681 62.100 -0.120 0.000 0.904 89 T CB -0.372 68.438 68.868 -0.097 0.000 1.110 89 T HN 0.095 nan 8.240 nan 0.000 0.541 90 T N 2.450 117.041 114.554 0.062 0.000 3.005 90 T HA 0.443 4.796 4.350 0.004 0.000 0.323 90 T C 0.086 174.869 174.700 0.139 0.000 1.131 90 T CA -0.348 61.804 62.100 0.087 0.000 0.977 90 T CB 0.755 69.691 68.868 0.112 0.000 1.055 90 T HN 0.339 nan 8.240 nan 0.000 0.562 91 S N 3.567 119.271 115.700 0.008 0.000 2.548 91 S HA 0.198 4.670 4.470 0.004 0.000 0.277 91 S C -0.035 174.571 174.600 0.010 0.000 1.315 91 S CA -0.681 57.497 58.200 -0.035 0.000 1.050 91 S CB 0.326 63.424 63.200 -0.170 0.000 0.918 91 S HN 0.452 nan 8.310 nan 0.000 0.497 92 Q N 3.098 122.874 119.800 -0.039 0.000 2.256 92 Q HA 0.260 4.602 4.340 0.004 0.000 0.257 92 Q C 0.150 175.968 176.000 -0.303 0.000 0.936 92 Q CA -0.650 54.998 55.803 -0.259 0.000 0.903 92 Q CB 1.430 29.724 28.738 -0.740 0.000 1.263 92 Q HN 0.667 nan 8.270 nan 0.000 0.440 93 D N 1.455 121.768 120.400 -0.145 0.000 2.219 93 D HA -0.133 4.509 4.640 0.004 0.000 0.205 93 D C 1.624 177.938 176.300 0.024 0.000 0.970 93 D CA 0.878 54.853 54.000 -0.042 0.000 0.851 93 D CB 0.089 40.918 40.800 0.049 0.000 0.943 93 D HN 0.698 nan 8.370 nan 0.000 0.488 94 W N -1.408 119.986 121.300 0.156 0.000 2.595 94 W HA 0.013 4.676 4.660 0.004 0.000 0.257 94 W C 0.374 177.109 176.519 0.361 0.000 1.267 94 W CA -0.133 57.331 57.345 0.198 0.000 1.300 94 W CB -0.487 29.073 29.460 0.167 0.000 1.120 94 W HN -0.032 nan 8.180 nan 0.000 0.618 95 W N 3.385 124.486 121.300 -0.332 0.000 1.982 95 W HA 0.249 4.912 4.660 0.004 0.000 0.299 95 W C -2.828 173.638 176.519 -0.087 0.000 1.011 95 W CA -1.993 55.252 57.345 -0.166 0.000 1.324 95 W CB 0.695 30.080 29.460 -0.125 0.000 1.372 95 W HN -0.372 nan 8.180 nan 0.000 0.323 96 P HA 0.003 nan 4.420 nan 0.000 0.265 96 P C 0.015 177.233 177.300 -0.137 0.000 1.193 96 P CA 0.671 63.684 63.100 -0.146 0.000 0.765 96 P CB 0.728 32.357 31.700 -0.119 0.000 0.823 97 A N 3.557 126.171 122.820 -0.343 0.000 2.492 97 A HA 0.105 4.427 4.320 0.004 0.000 0.254 97 A C 0.189 177.558 177.584 -0.358 0.000 1.091 97 A CA -0.197 51.459 52.037 -0.634 0.000 0.768 97 A CB -0.439 17.800 19.000 -1.268 0.000 1.028 97 A HN 0.439 nan 8.150 nan 0.000 0.498 98 D N 1.767 122.022 120.400 -0.243 0.000 2.488 98 D HA 0.178 4.821 4.640 0.004 0.000 0.238 98 D C 0.490 176.520 176.300 -0.450 0.000 1.138 98 D CA 0.639 54.317 54.000 -0.538 0.000 0.873 98 D CB -0.188 40.509 40.800 -0.172 0.000 1.183 98 D HN 0.499 nan 8.370 nan 0.000 0.458 99 F N 0.327 119.963 119.950 -0.524 0.000 3.093 99 F HA -0.256 4.274 4.527 0.004 0.000 0.283 99 F C 1.598 177.275 175.800 -0.206 0.000 0.848 99 F CA 0.528 58.349 58.000 -0.298 0.000 1.059 99 F CB -2.073 36.846 39.000 -0.135 0.000 1.191 99 F HN 0.632 nan 8.300 nan 0.000 0.514 100 G N -0.552 108.122 108.800 -0.210 0.000 2.203 100 G HA2 -0.334 3.629 3.960 0.004 0.000 0.263 100 G HA3 -0.334 3.629 3.960 0.004 0.000 0.263 100 G C -0.123 174.723 174.900 -0.090 0.000 1.012 100 G CA 0.611 45.618 45.100 -0.155 0.000 0.749 100 G HN 0.950 nan 8.290 nan 0.000 0.512 101 H N -1.682 117.299 119.070 -0.147 0.000 3.096 101 H HA 0.364 4.923 4.556 0.004 0.000 0.335 101 H C -0.047 175.271 175.328 -0.016 0.000 0.990 101 H CA -0.899 55.125 56.048 -0.040 0.000 1.393 101 H CB 0.746 30.554 29.762 0.077 0.000 1.742 101 H HN 0.053 nan 8.280 nan 0.000 0.501 102 Y N 2.854 123.262 120.300 0.180 0.000 2.553 102 Y HA 0.050 4.602 4.550 0.004 0.000 0.303 102 Y C 2.208 178.221 175.900 0.189 0.000 1.194 102 Y CA 0.791 58.924 58.100 0.055 0.000 1.305 102 Y CB -0.012 38.336 38.460 -0.187 0.000 1.045 102 Y HN 0.802 nan 8.280 nan 0.000 0.514 103 G N 0.270 109.463 108.800 0.655 0.000 2.491 103 G HA2 -0.301 3.661 3.960 0.004 0.000 0.218 103 G HA3 -0.301 3.661 3.960 0.004 0.000 0.218 103 G C 2.074 177.125 174.900 0.252 0.000 1.180 103 G CA 1.055 46.430 45.100 0.459 0.000 0.774 103 G HN 0.506 nan 8.290 nan 0.000 0.562 104 G N 0.748 109.693 108.800 0.242 0.000 2.459 104 G HA2 -0.172 3.791 3.960 0.004 0.000 0.217 104 G HA3 -0.172 3.791 3.960 0.004 0.000 0.217 104 G C 1.771 176.819 174.900 0.246 0.000 1.183 104 G CA 1.089 46.340 45.100 0.252 0.000 0.776 104 G HN 0.415 nan 8.290 nan 0.000 0.552 105 L N -0.269 121.084 121.223 0.217 0.000 2.051 105 L HA -0.072 4.270 4.340 0.004 0.000 0.214 105 L C 2.497 179.423 176.870 0.092 0.000 1.076 105 L CA 1.773 56.678 54.840 0.108 0.000 0.758 105 L CB -0.622 41.437 42.059 0.000 0.000 0.890 105 L HN 0.197 nan 8.230 nan 0.000 0.433 106 F N -0.941 119.119 119.950 0.183 0.000 2.293 106 F HA -0.017 4.512 4.527 0.004 0.000 0.297 106 F C 2.319 178.213 175.800 0.156 0.000 1.089 106 F CA 0.861 58.945 58.000 0.139 0.000 1.377 106 F CB -0.592 38.479 39.000 0.118 0.000 1.051 106 F HN 0.026 nan 8.300 nan 0.000 0.511 107 I N -0.337 120.413 120.570 0.300 0.000 2.252 107 I HA -0.278 3.894 4.170 0.004 0.000 0.245 107 I C 2.681 179.043 176.117 0.409 0.000 1.102 107 I CA 1.153 62.608 61.300 0.259 0.000 1.385 107 I CB -0.422 37.589 38.000 0.019 0.000 1.064 107 I HN 0.031 nan 8.210 nan 0.000 0.414 108 R N 1.166 121.864 120.500 0.331 0.000 2.081 108 R HA -0.226 4.116 4.340 0.004 0.000 0.235 108 R C 2.425 178.819 176.300 0.157 0.000 1.131 108 R CA 1.716 58.000 56.100 0.307 0.000 0.960 108 R CB -0.259 30.116 30.300 0.126 0.000 0.856 108 R HN 0.308 nan 8.270 nan 0.000 0.436 109 M N 0.123 119.818 119.600 0.158 0.000 2.080 109 M HA -0.170 4.312 4.480 0.004 0.000 0.260 109 M C 2.146 178.551 176.300 0.174 0.000 1.068 109 M CA 2.226 57.603 55.300 0.129 0.000 1.109 109 M CB -0.215 32.512 32.600 0.212 0.000 1.342 109 M HN 0.311 nan 8.290 nan 0.000 0.405 110 A N 0.784 123.776 122.820 0.288 0.000 1.877 110 A HA -0.239 4.084 4.320 0.004 0.000 0.216 110 A C 2.077 179.814 177.584 0.254 0.000 1.186 110 A CA 1.605 53.810 52.037 0.281 0.000 0.620 110 A CB -1.670 17.594 19.000 0.440 0.000 0.822 110 A HN 0.934 nan 8.150 nan 0.000 0.443 111 W N 0.387 121.869 121.300 0.303 0.000 2.358 111 W HA -0.213 4.449 4.660 0.004 0.000 0.303 111 W C 1.783 178.442 176.519 0.232 0.000 1.208 111 W CA 1.810 59.314 57.345 0.266 0.000 1.274 111 W CB -0.785 28.950 29.460 0.457 0.000 1.138 111 W HN 0.601 nan 8.180 nan 0.000 0.515 112 H N -0.109 118.637 119.070 -0.541 0.000 2.421 112 H HA -0.155 4.403 4.556 0.004 0.000 0.298 112 H C 2.660 177.723 175.328 -0.442 0.000 1.087 112 H CA 1.428 57.086 56.048 -0.650 0.000 1.330 112 H CB -0.108 29.439 29.762 -0.358 0.000 1.388 112 H HN 0.135 nan 8.280 nan 0.000 0.526 113 S N 0.238 115.845 115.700 -0.155 0.000 2.356 113 S HA -0.149 4.324 4.470 0.004 0.000 0.223 113 S C 2.372 176.847 174.600 -0.208 0.000 1.032 113 S CA 1.020 59.119 58.200 -0.168 0.000 1.005 113 S CB -0.156 62.989 63.200 -0.092 0.000 0.867 113 S HN 0.499 nan 8.310 nan 0.000 0.449 114 A N 0.375 123.067 122.820 -0.214 0.000 1.930 114 A HA 0.266 4.588 4.320 0.004 0.000 0.215 114 A C 2.155 179.610 177.584 -0.215 0.000 1.176 114 A CA 1.316 53.224 52.037 -0.213 0.000 0.632 114 A CB -1.188 17.677 19.000 -0.224 0.000 0.819 114 A HN 0.599 nan 8.150 nan 0.000 0.445 115 G N -0.355 108.178 108.800 -0.445 0.000 2.882 115 G HA2 0.056 4.019 3.960 0.004 0.000 0.206 115 G HA3 0.056 4.019 3.960 0.004 0.000 0.206 115 G C 1.236 175.825 174.900 -0.517 0.000 1.155 115 G CA 1.349 46.064 45.100 -0.641 0.000 0.800 115 G HN 0.616 nan 8.290 nan 0.000 0.524 116 T N -2.994 111.389 114.554 -0.285 0.000 3.113 116 T HA 0.077 4.430 4.350 0.004 0.000 0.256 116 T C 0.887 175.672 174.700 0.142 0.000 1.131 116 T CA -0.473 61.578 62.100 -0.083 0.000 1.074 116 T CB -0.230 68.570 68.868 -0.114 0.000 0.944 116 T HN 0.167 nan 8.240 nan 0.000 0.516 117 Y N 3.163 123.450 120.300 -0.021 0.000 2.610 117 Y HA 0.382 4.934 4.550 0.003 0.000 0.332 117 Y C 0.134 176.066 175.900 0.055 0.000 1.201 117 Y CA -0.883 57.224 58.100 0.013 0.000 1.465 117 Y CB 0.318 38.758 38.460 -0.034 0.000 1.283 117 Y HN 0.041 nan 8.280 nan 0.000 0.563 118 R N 3.256 123.369 120.500 -0.644 0.000 2.480 118 R HA 0.213 4.556 4.340 0.004 0.000 0.306 118 R C 0.888 176.681 176.300 -0.845 0.000 0.958 118 R CA -0.364 55.433 56.100 -0.506 0.000 0.861 118 R CB 1.583 31.732 30.300 -0.252 0.000 1.171 118 R HN 0.744 nan 8.270 nan 0.000 0.445 119 T N 1.116 115.345 114.554 -0.542 0.000 2.995 119 T HA -0.067 4.285 4.350 0.004 0.000 0.269 119 T C 1.720 176.300 174.700 -0.201 0.000 1.091 119 T CA 1.693 63.595 62.100 -0.330 0.000 1.128 119 T CB 0.025 68.846 68.868 -0.079 0.000 0.891 119 T HN 0.654 nan 8.240 nan 0.000 0.492 120 A N 1.870 124.579 122.820 -0.184 0.000 1.902 120 A HA -0.086 4.237 4.320 0.004 0.000 0.217 120 A C 1.882 179.381 177.584 -0.143 0.000 1.181 120 A CA 2.132 54.089 52.037 -0.134 0.000 0.623 120 A CB -0.347 18.585 19.000 -0.114 0.000 0.818 120 A HN 0.748 nan 8.150 nan 0.000 0.443 121 D N -4.321 115.975 120.400 -0.173 0.000 2.500 121 D HA 0.298 4.941 4.640 0.004 0.000 0.217 121 D C 1.086 177.294 176.300 -0.152 0.000 1.159 121 D CA 0.872 54.780 54.000 -0.153 0.000 0.828 121 D CB -0.555 40.155 40.800 -0.150 0.000 1.039 121 D HN 0.849 nan 8.370 nan 0.000 0.512 122 G N 0.817 109.489 108.800 -0.213 0.000 2.168 122 G HA2 -0.356 3.606 3.960 0.004 0.000 0.263 122 G HA3 -0.356 3.606 3.960 0.004 0.000 0.263 122 G C 0.357 175.223 174.900 -0.057 0.000 0.977 122 G CA 0.277 45.296 45.100 -0.135 0.000 0.659 122 G HN 0.449 nan 8.290 nan 0.000 0.533 123 R N 0.071 120.486 120.500 -0.141 0.000 2.583 123 R HA 0.554 4.897 4.340 0.004 0.000 0.268 123 R C 1.220 177.507 176.300 -0.023 0.000 1.101 123 R CA 0.370 56.414 56.100 -0.094 0.000 1.180 123 R CB 0.345 30.528 30.300 -0.194 0.000 1.128 123 R HN 1.405 nan 8.270 nan 0.000 0.568 124 G N -0.595 108.244 108.800 0.065 0.000 2.750 124 G HA2 0.142 4.104 3.960 0.004 0.000 0.228 124 G HA3 0.142 4.104 3.960 0.004 0.000 0.228 124 G C 0.088 175.105 174.900 0.195 0.000 1.367 124 G CA -0.352 44.874 45.100 0.211 0.000 0.871 124 G HN 1.173 nan 8.290 nan 0.000 0.560 125 G N -2.916 105.966 108.800 0.136 0.000 2.661 125 G HA2 0.457 4.419 3.960 0.004 0.000 0.685 125 G HA3 0.457 4.419 3.960 0.004 0.000 0.685 125 G C 0.872 175.730 174.900 -0.072 0.000 1.298 125 G CA 1.011 46.126 45.100 0.026 0.000 0.855 125 G HN 2.471 nan 8.290 nan 0.000 0.560 126 A N -0.458 122.275 122.820 -0.144 0.000 2.178 126 A HA 0.515 4.837 4.320 0.004 0.000 0.211 126 A C 2.577 180.079 177.584 -0.136 0.000 1.157 126 A CA 1.737 53.681 52.037 -0.154 0.000 0.780 126 A CB -0.410 18.470 19.000 -0.200 0.000 0.828 126 A HN 2.326 nan 8.150 nan 0.000 0.476 127 G N -0.205 108.517 108.800 -0.130 0.000 2.535 127 G HA2 -0.096 3.866 3.960 0.004 0.000 0.218 127 G HA3 -0.096 3.866 3.960 0.004 0.000 0.218 127 G C 0.998 175.855 174.900 -0.072 0.000 1.122 127 G CA 0.947 45.978 45.100 -0.114 0.000 0.769 127 G HN 0.654 nan 8.290 nan 0.000 0.549 128 E N -1.095 119.073 120.200 -0.055 0.000 2.630 128 E HA 0.287 4.639 4.350 0.004 0.000 0.218 128 E C 1.323 177.877 176.600 -0.077 0.000 0.977 128 E CA 0.044 56.414 56.400 -0.050 0.000 1.038 128 E CB 0.737 30.440 29.700 0.006 0.000 1.051 128 E HN 0.250 nan 8.360 nan 0.000 0.487 129 G N 2.480 111.225 108.800 -0.092 0.000 2.249 129 G HA2 -0.324 3.639 3.960 0.004 0.000 0.273 129 G HA3 -0.324 3.639 3.960 0.004 0.000 0.273 129 G C 0.850 175.640 174.900 -0.185 0.000 1.036 129 G CA 0.266 45.286 45.100 -0.134 0.000 0.824 129 G HN 0.188 nan 8.290 nan 0.000 0.504 130 Q N -0.812 118.931 119.800 -0.095 0.000 2.500 130 Q HA -0.046 4.296 4.340 0.004 0.000 0.213 130 Q C 2.316 178.207 176.000 -0.182 0.000 0.974 130 Q CA 1.237 57.024 55.803 -0.028 0.000 0.918 130 Q CB 0.014 28.769 28.738 0.028 0.000 0.980 130 Q HN 0.896 nan 8.270 nan 0.000 0.505 131 Q N 1.092 120.731 119.800 -0.268 0.000 2.226 131 Q HA -0.160 4.182 4.340 0.004 0.000 0.204 131 Q C 1.758 177.530 176.000 -0.379 0.000 0.975 131 Q CA 1.032 56.645 55.803 -0.317 0.000 0.866 131 Q CB 0.129 28.712 28.738 -0.258 0.000 0.915 131 Q HN 0.359 nan 8.270 nan 0.000 0.440 132 R N -1.196 118.973 120.500 -0.551 0.000 2.310 132 R HA 0.088 4.430 4.340 0.004 0.000 0.202 132 R C -0.374 175.455 176.300 -0.784 0.000 0.933 132 R CA -0.021 55.617 56.100 -0.771 0.000 1.054 132 R CB 0.153 29.780 30.300 -1.123 0.000 0.985 132 R HN 0.013 nan 8.270 nan 0.000 0.489 133 F N 0.702 120.501 119.950 -0.251 0.000 2.556 133 F HA 0.575 5.105 4.527 0.004 0.000 0.327 133 F C 0.527 176.223 175.800 -0.173 0.000 1.059 133 F CA -1.617 56.270 58.000 -0.189 0.000 0.953 133 F CB 1.271 40.179 39.000 -0.153 0.000 1.227 133 F HN -0.077 nan 8.300 nan 0.000 0.478 134 A N 2.320 125.198 122.820 0.097 0.000 2.531 134 A HA 0.222 4.544 4.320 0.004 0.000 0.236 134 A C -1.735 175.878 177.584 0.049 0.000 1.062 134 A CA -0.796 51.264 52.037 0.039 0.000 0.760 134 A CB -0.331 18.705 19.000 0.060 0.000 0.995 134 A HN 0.572 nan 8.150 nan 0.000 0.501 135 P HA 0.047 nan 4.420 nan 0.000 0.239 135 P C 1.235 178.379 177.300 -0.261 0.000 1.188 135 P CA 0.394 63.511 63.100 0.029 0.000 0.794 135 P CB 0.125 31.984 31.700 0.266 0.000 0.937 136 L N 0.992 121.857 121.223 -0.597 0.000 2.131 136 L HA -0.171 4.171 4.340 0.004 0.000 0.210 136 L C 2.226 178.827 176.870 -0.447 0.000 1.092 136 L CA 1.833 56.095 54.840 -0.963 0.000 0.759 136 L CB -1.224 40.299 42.059 -0.893 0.000 0.903 136 L HN 0.128 nan 8.230 nan 0.000 0.435 137 N N -1.303 117.233 118.700 -0.273 0.000 2.443 137 N HA -0.154 4.589 4.740 0.004 0.000 0.184 137 N C 1.179 176.671 175.510 -0.030 0.000 1.037 137 N CA 1.269 54.220 53.050 -0.165 0.000 0.896 137 N CB -0.298 38.068 38.487 -0.201 0.000 0.959 137 N HN 0.085 nan 8.380 nan 0.000 0.442 138 S N -1.846 113.828 115.700 -0.044 0.000 2.780 138 S HA 0.177 4.649 4.470 0.004 0.000 0.248 138 S C -0.705 173.915 174.600 0.032 0.000 1.036 138 S CA -0.790 57.382 58.200 -0.046 0.000 1.061 138 S CB 0.111 63.206 63.200 -0.175 0.000 1.037 138 S HN 0.241 nan 8.310 nan 0.000 0.584 139 W N 3.196 124.365 121.300 -0.219 0.000 2.181 139 W HA 0.260 4.923 4.660 0.004 0.000 0.335 139 W C -2.024 174.337 176.519 -0.264 0.000 1.310 139 W CA -1.989 55.094 57.345 -0.436 0.000 1.226 139 W CB -0.225 29.044 29.460 -0.319 0.000 1.155 139 W HN 0.090 nan 8.180 nan 0.000 0.565 140 P HA -0.209 nan 4.420 nan 0.000 0.216 140 P C 1.149 178.358 177.300 -0.152 0.000 1.150 140 P CA 1.806 64.815 63.100 -0.152 0.000 0.837 140 P CB 0.348 31.949 31.700 -0.165 0.000 0.786 141 D N -1.547 118.819 120.400 -0.057 0.000 2.310 141 D HA -0.078 4.564 4.640 0.004 0.000 0.212 141 D C 0.900 177.257 176.300 0.094 0.000 0.965 141 D CA 0.809 54.825 54.000 0.027 0.000 0.879 141 D CB -0.565 40.233 40.800 -0.002 0.000 0.921 141 D HN 0.052 nan 8.370 nan 0.000 0.510 142 N N 0.044 118.752 118.700 0.012 0.000 2.251 142 N HA 0.175 4.917 4.740 0.004 0.000 0.217 142 N C -0.404 174.861 175.510 -0.408 0.000 1.124 142 N CA -0.086 52.946 53.050 -0.030 0.000 0.843 142 N CB 0.367 38.873 38.487 0.032 0.000 1.024 142 N HN -0.008 nan 8.380 nan 0.000 0.501 143 A N 1.090 123.383 122.820 -0.877 0.000 2.567 143 A HA 0.066 4.389 4.320 0.004 0.000 0.240 143 A C 0.934 177.981 177.584 -0.895 0.000 1.053 143 A CA 0.116 51.078 52.037 -1.792 0.000 0.755 143 A CB -0.074 17.986 19.000 -1.568 0.000 0.978 143 A HN 0.457 nan 8.150 nan 0.000 0.507 144 N N 0.094 118.345 118.700 -0.749 0.000 2.900 144 N HA -0.184 4.558 4.740 0.004 0.000 0.240 144 N C 0.696 176.007 175.510 -0.330 0.000 0.953 144 N CA 1.541 54.321 53.050 -0.450 0.000 0.950 144 N CB -1.339 36.868 38.487 -0.467 0.000 1.102 144 N HN 0.678 nan 8.380 nan 0.000 0.593 145 L N 1.014 122.104 121.223 -0.222 0.000 2.313 145 L HA -0.100 4.242 4.340 0.004 0.000 0.214 145 L C 2.116 178.941 176.870 -0.074 0.000 1.119 145 L CA 1.304 56.071 54.840 -0.121 0.000 0.809 145 L CB -0.359 41.647 42.059 -0.088 0.000 0.933 145 L HN 0.215 nan 8.230 nan 0.000 0.449 146 D N 0.360 120.749 120.400 -0.018 0.000 2.158 146 D HA -0.247 4.395 4.640 0.004 0.000 0.197 146 D C 1.686 177.941 176.300 -0.074 0.000 0.995 146 D CA 1.316 55.291 54.000 -0.041 0.000 0.846 146 D CB -0.230 40.576 40.800 0.009 0.000 0.941 146 D HN 0.197 nan 8.370 nan 0.000 0.456 147 K N 1.111 121.419 120.400 -0.154 0.000 2.031 147 K HA 0.083 4.406 4.320 0.004 0.000 0.205 147 K C 2.449 179.054 176.600 0.008 0.000 1.049 147 K CA 1.203 57.426 56.287 -0.107 0.000 0.939 147 K CB -0.928 31.172 32.500 -0.667 0.000 0.717 147 K HN 0.275 nan 8.250 nan 0.000 0.438 148 A N 2.139 124.908 122.820 -0.084 0.000 1.892 148 A HA -0.229 4.093 4.320 0.004 0.000 0.218 148 A C 2.292 180.043 177.584 0.277 0.000 1.188 148 A CA 1.830 53.887 52.037 0.034 0.000 0.631 148 A CB -0.499 18.517 19.000 0.027 0.000 0.822 148 A HN 0.290 nan 8.150 nan 0.000 0.447 149 R N -1.569 119.033 120.500 0.169 0.000 2.092 149 R HA -0.097 4.245 4.340 0.004 0.000 0.231 149 R C 2.441 178.923 176.300 0.302 0.000 1.119 149 R CA 1.402 57.624 56.100 0.203 0.000 0.970 149 R CB -0.266 29.981 30.300 -0.087 0.000 0.864 149 R HN 0.427 nan 8.270 nan 0.000 0.440 150 R N 1.425 122.053 120.500 0.214 0.000 2.096 150 R HA -0.055 4.288 4.340 0.004 0.000 0.235 150 R C 1.984 178.567 176.300 0.471 0.000 1.127 150 R CA 1.267 57.534 56.100 0.279 0.000 0.968 150 R CB -0.636 29.717 30.300 0.088 0.000 0.861 150 R HN 0.189 nan 8.270 nan 0.000 0.440 151 L N -0.138 121.372 121.223 0.477 0.000 2.261 151 L HA -0.132 4.211 4.340 0.004 0.000 0.216 151 L C 1.773 178.853 176.870 0.351 0.000 1.114 151 L CA 0.920 56.002 54.840 0.403 0.000 0.777 151 L CB -0.248 41.924 42.059 0.189 0.000 0.910 151 L HN 0.207 nan 8.230 nan 0.000 0.440 152 L N -1.714 119.735 121.223 0.378 0.000 2.592 152 L HA -0.093 4.250 4.340 0.004 0.000 0.227 152 L C 2.131 179.153 176.870 0.253 0.000 1.127 152 L CA 0.074 55.064 54.840 0.249 0.000 0.884 152 L CB -0.308 41.899 42.059 0.247 0.000 1.065 152 L HN 0.490 nan 8.230 nan 0.000 0.457 153 W N 2.835 124.270 121.300 0.224 0.000 2.355 153 W HA -0.151 4.511 4.660 0.004 0.000 0.309 153 W C -0.932 175.619 176.519 0.052 0.000 1.206 153 W CA 1.055 58.502 57.345 0.170 0.000 1.284 153 W CB -1.076 28.526 29.460 0.237 0.000 1.145 153 W HN 0.089 nan 8.180 nan 0.000 0.502 154 P HA -0.240 nan 4.420 nan 0.000 0.216 154 P C 1.653 178.751 177.300 -0.336 0.000 1.153 154 P CA 2.373 65.250 63.100 -0.372 0.000 0.858 154 P CB -0.316 31.317 31.700 -0.112 0.000 0.789 155 I N -1.135 119.334 120.570 -0.170 0.000 2.252 155 I HA -0.236 3.936 4.170 0.004 0.000 0.245 155 I C 2.382 178.425 176.117 -0.122 0.000 1.102 155 I CA 1.329 62.581 61.300 -0.080 0.000 1.385 155 I CB -0.320 37.682 38.000 0.003 0.000 1.064 155 I HN -0.151 nan 8.210 nan 0.000 0.414 156 K N 1.094 121.336 120.400 -0.264 0.000 2.032 156 K HA -0.272 4.050 4.320 0.004 0.000 0.209 156 K C 2.148 178.551 176.600 -0.327 0.000 1.048 156 K CA 1.723 57.806 56.287 -0.340 0.000 0.927 156 K CB -0.342 31.768 32.500 -0.650 0.000 0.712 156 K HN 0.289 nan 8.250 nan 0.000 0.441 157 Q N 0.369 119.740 119.800 -0.714 0.000 2.096 157 Q HA -0.249 4.094 4.340 0.004 0.000 0.204 157 Q C 2.025 177.771 176.000 -0.423 0.000 0.982 157 Q CA 2.052 57.370 55.803 -0.807 0.000 0.850 157 Q CB -0.150 27.710 28.738 -1.463 0.000 0.901 157 Q HN 0.353 nan 8.270 nan 0.000 0.422 158 K N -0.844 119.307 120.400 -0.415 0.000 2.057 158 K HA -0.159 4.163 4.320 0.004 0.000 0.206 158 K C 1.345 177.648 176.600 -0.496 0.000 1.050 158 K CA 1.398 57.410 56.287 -0.459 0.000 0.935 158 K CB -0.067 32.095 32.500 -0.564 0.000 0.715 158 K HN 0.307 nan 8.250 nan 0.000 0.439 159 Y N 0.093 120.317 120.300 -0.126 0.000 2.510 159 Y HA 0.175 4.728 4.550 0.004 0.000 0.273 159 Y C 1.522 177.409 175.900 -0.022 0.000 1.119 159 Y CA 0.256 58.315 58.100 -0.068 0.000 1.286 159 Y CB 0.344 38.768 38.460 -0.059 0.000 1.061 159 Y HN 0.377 nan 8.280 nan 0.000 0.542 160 G N 1.782 110.614 108.800 0.054 0.000 2.583 160 G HA2 -0.430 3.533 3.960 0.004 0.000 0.292 160 G HA3 -0.430 3.533 3.960 0.004 0.000 0.292 160 G C 1.205 176.203 174.900 0.162 0.000 1.203 160 G CA 0.771 45.921 45.100 0.084 0.000 0.987 160 G HN 0.484 nan 8.290 nan 0.000 0.554 161 R N 0.853 121.471 120.500 0.195 0.000 2.276 161 R HA 0.474 4.817 4.340 0.004 0.000 0.203 161 R C 2.528 179.128 176.300 0.500 0.000 1.017 161 R CA 1.659 57.937 56.100 0.296 0.000 1.010 161 R CB -0.268 30.128 30.300 0.160 0.000 0.900 161 R HN 0.996 nan 8.270 nan 0.000 0.469 162 A N 1.460 124.501 122.820 0.369 0.000 2.119 162 A HA 0.130 4.452 4.320 0.004 0.000 0.217 162 A C 1.091 178.930 177.584 0.424 0.000 1.153 162 A CA 0.441 52.679 52.037 0.336 0.000 0.692 162 A CB 0.001 19.111 19.000 0.183 0.000 0.799 162 A HN 0.429 nan 8.150 nan 0.000 0.458 163 I N 0.605 121.425 120.570 0.417 0.000 2.499 163 I HA 0.304 4.477 4.170 0.004 0.000 0.288 163 I C 0.053 176.355 176.117 0.308 0.000 1.048 163 I CA -0.677 60.898 61.300 0.458 0.000 1.062 163 I CB 1.981 40.119 38.000 0.230 0.000 1.238 163 I HN 0.181 nan 8.210 nan 0.000 0.426 164 S N 4.534 120.391 115.700 0.262 0.000 2.585 164 S HA 0.146 4.619 4.470 0.004 0.000 0.273 164 S C 0.710 175.318 174.600 0.013 0.000 1.339 164 S CA -0.303 57.867 58.200 -0.050 0.000 1.028 164 S CB 0.727 63.683 63.200 -0.406 0.000 0.906 164 S HN 0.814 nan 8.310 nan 0.000 0.528 165 W N 1.527 122.796 121.300 -0.052 0.000 2.321 165 W HA -0.167 4.495 4.660 0.004 0.000 0.306 165 W C 2.785 179.254 176.519 -0.083 0.000 1.217 165 W CA 1.640 58.947 57.345 -0.064 0.000 1.257 165 W CB -0.707 28.667 29.460 -0.142 0.000 1.145 165 W HN 0.937 nan 8.180 nan 0.000 0.509 166 A N 0.005 122.883 122.820 0.097 0.000 1.883 166 A HA -0.254 4.069 4.320 0.004 0.000 0.217 166 A C 1.695 179.299 177.584 0.034 0.000 1.186 166 A CA 2.283 54.325 52.037 0.009 0.000 0.624 166 A CB -0.929 18.026 19.000 -0.074 0.000 0.822 166 A HN 0.189 nan 8.150 nan 0.000 0.444 167 D N -0.708 119.730 120.400 0.063 0.000 2.117 167 D HA -0.096 4.547 4.640 0.004 0.000 0.198 167 D C 1.844 178.262 176.300 0.196 0.000 0.982 167 D CA 1.046 55.148 54.000 0.170 0.000 0.828 167 D CB -0.375 40.572 40.800 0.246 0.000 0.967 167 D HN 0.286 nan 8.370 nan 0.000 0.464 168 L N 0.718 122.012 121.223 0.119 0.000 2.042 168 L HA -0.115 4.227 4.340 0.004 0.000 0.210 168 L C 2.163 179.063 176.870 0.049 0.000 1.076 168 L CA 1.346 56.209 54.840 0.038 0.000 0.749 168 L CB -0.505 41.523 42.059 -0.052 0.000 0.893 168 L HN 0.054 nan 8.230 nan 0.000 0.432 169 L N -1.276 120.017 121.223 0.117 0.000 2.046 169 L HA -0.235 4.108 4.340 0.004 0.000 0.208 169 L C 2.423 179.352 176.870 0.098 0.000 1.077 169 L CA 0.902 55.810 54.840 0.113 0.000 0.747 169 L CB -0.628 41.496 42.059 0.107 0.000 0.896 169 L HN 0.272 nan 8.230 nan 0.000 0.432 170 I N -0.476 120.158 120.570 0.106 0.000 2.353 170 I HA -0.220 3.952 4.170 0.004 0.000 0.248 170 I C 2.457 178.669 176.117 0.159 0.000 1.119 170 I CA 1.187 62.579 61.300 0.154 0.000 1.417 170 I CB -0.883 37.192 38.000 0.125 0.000 1.078 170 I HN 0.240 nan 8.210 nan 0.000 0.421 171 L N 0.814 122.033 121.223 -0.006 0.000 2.093 171 L HA -0.141 4.201 4.340 0.004 0.000 0.208 171 L C 2.421 179.175 176.870 -0.193 0.000 1.085 171 L CA 1.876 56.505 54.840 -0.351 0.000 0.755 171 L CB -0.836 40.858 42.059 -0.608 0.000 0.904 171 L HN 0.141 nan 8.230 nan 0.000 0.435 172 T N -0.538 113.927 114.554 -0.148 0.000 2.788 172 T HA -0.123 4.230 4.350 0.004 0.000 0.268 172 T C 1.745 176.389 174.700 -0.094 0.000 1.044 172 T CA 1.181 63.147 62.100 -0.223 0.000 1.139 172 T CB -0.971 67.673 68.868 -0.374 0.000 0.867 172 T HN 0.597 nan 8.240 nan 0.000 0.454 173 G N 2.115 110.969 108.800 0.089 0.000 2.514 173 G HA2 -0.331 3.632 3.960 0.004 0.000 0.217 173 G HA3 -0.331 3.632 3.960 0.004 0.000 0.217 173 G C 1.602 176.580 174.900 0.130 0.000 1.198 173 G CA 1.202 46.447 45.100 0.241 0.000 0.780 173 G HN 0.413 nan 8.290 nan 0.000 0.565 174 N N 0.177 118.996 118.700 0.199 0.000 2.091 174 N HA -0.126 4.617 4.740 0.004 0.000 0.193 174 N C 2.200 177.674 175.510 -0.060 0.000 1.021 174 N CA 1.346 54.457 53.050 0.102 0.000 0.862 174 N CB -0.578 37.992 38.487 0.140 0.000 1.018 174 N HN 0.221 nan 8.380 nan 0.000 0.429 175 V N 0.654 120.489 119.914 -0.132 0.000 2.453 175 V HA -0.117 4.006 4.120 0.004 0.000 0.247 175 V C 2.236 178.191 176.094 -0.231 0.000 1.048 175 V CA 1.582 63.726 62.300 -0.259 0.000 1.049 175 V CB -0.943 30.658 31.823 -0.369 0.000 0.672 175 V HN 0.341 nan 8.190 nan 0.000 0.457 176 A N 0.019 122.767 122.820 -0.119 0.000 1.883 176 A HA -0.193 4.130 4.320 0.004 0.000 0.217 176 A C 2.218 179.716 177.584 -0.144 0.000 1.186 176 A CA 1.926 53.950 52.037 -0.023 0.000 0.624 176 A CB -0.583 18.466 19.000 0.081 0.000 0.822 176 A HN 0.483 nan 8.150 nan 0.000 0.444 177 L N -0.756 120.311 121.223 -0.259 0.000 1.989 177 L HA -0.265 4.078 4.340 0.004 0.000 0.211 177 L C 2.684 179.517 176.870 -0.061 0.000 1.071 177 L CA 2.065 56.724 54.840 -0.302 0.000 0.749 177 L CB -0.669 41.178 42.059 -0.354 0.000 0.890 177 L HN 0.477 nan 8.230 nan 0.000 0.431 178 E N -0.713 119.469 120.200 -0.031 0.000 2.051 178 E HA -0.240 4.112 4.350 0.004 0.000 0.192 178 E C 2.300 178.995 176.600 0.158 0.000 0.991 178 E CA 1.431 57.865 56.400 0.057 0.000 0.799 178 E CB -0.205 29.540 29.700 0.074 0.000 0.748 178 E HN 0.314 nan 8.360 nan 0.000 0.449 179 S N 0.324 116.110 115.700 0.144 0.000 2.392 179 S HA -0.177 4.295 4.470 0.004 0.000 0.232 179 S C 1.692 176.437 174.600 0.242 0.000 1.041 179 S CA 1.252 59.627 58.200 0.292 0.000 1.026 179 S CB -0.083 63.284 63.200 0.278 0.000 0.845 179 S HN 0.191 nan 8.310 nan 0.000 0.465 180 M N 0.053 119.742 119.600 0.147 0.000 2.493 180 M HA 0.276 4.759 4.480 0.004 0.000 0.244 180 M C 1.231 177.709 176.300 0.297 0.000 1.182 180 M CA 0.518 55.917 55.300 0.164 0.000 0.981 180 M CB 0.692 33.357 32.600 0.110 0.000 1.551 180 M HN 0.532 nan 8.290 nan 0.000 0.476 181 G N 1.170 110.113 108.800 0.238 0.000 2.163 181 G HA2 -0.256 3.707 3.960 0.004 0.000 0.213 181 G HA3 -0.256 3.707 3.960 0.004 0.000 0.213 181 G C -0.353 174.656 174.900 0.181 0.000 0.991 181 G CA -0.635 44.606 45.100 0.235 0.000 0.653 181 G HN 0.437 nan 8.290 nan 0.000 0.518 182 F N 1.897 121.820 119.950 -0.046 0.000 2.411 182 F HA 0.690 5.219 4.527 0.004 0.000 0.352 182 F C 0.415 176.063 175.800 -0.254 0.000 1.123 182 F CA -1.393 56.415 58.000 -0.320 0.000 1.044 182 F CB 1.263 40.027 39.000 -0.393 0.000 1.135 182 F HN 0.034 nan 8.300 nan 0.000 0.461 183 K N 4.880 124.801 120.400 -0.799 0.000 2.316 183 K HA 0.270 4.592 4.320 0.004 0.000 0.289 183 K C -0.073 176.148 176.600 -0.632 0.000 1.070 183 K CA -0.322 55.641 56.287 -0.541 0.000 0.928 183 K CB 0.480 32.737 32.500 -0.404 0.000 1.039 183 K HN 0.740 nan 8.250 nan 0.000 0.480 184 T N 1.294 115.709 114.554 -0.233 0.000 2.849 184 T HA 0.137 4.490 4.350 0.004 0.000 0.284 184 T C 0.766 175.474 174.700 0.014 0.000 1.004 184 T CA -0.601 61.488 62.100 -0.018 0.000 1.021 184 T CB 0.614 69.562 68.868 0.134 0.000 1.013 184 T HN 0.547 nan 8.240 nan 0.000 0.527 185 F N 1.069 120.995 119.950 -0.040 0.000 2.456 185 F HA 0.397 4.926 4.527 0.004 0.000 0.298 185 F C 1.272 176.944 175.800 -0.214 0.000 1.104 185 F CA 1.113 59.037 58.000 -0.128 0.000 1.435 185 F CB -0.336 38.606 39.000 -0.096 0.000 1.078 185 F HN 1.189 nan 8.300 nan 0.000 0.546 186 G N -0.890 107.908 108.800 -0.003 0.000 2.356 186 G HA2 0.301 4.264 3.960 0.004 0.000 0.288 186 G HA3 0.301 4.264 3.960 0.004 0.000 0.288 186 G C -2.095 172.985 174.900 0.301 0.000 1.302 186 G CA -0.486 44.578 45.100 -0.059 0.000 0.887 186 G HN 0.211 nan 8.290 nan 0.000 0.521 187 F N 0.173 120.197 119.950 0.124 0.000 2.639 187 F HA 0.719 5.249 4.527 0.005 0.000 0.320 187 F C -0.537 175.398 175.800 0.224 0.000 1.128 187 F CA 0.024 58.202 58.000 0.297 0.000 1.037 187 F CB 1.354 40.506 39.000 0.252 0.000 1.288 187 F HN 1.335 nan 8.300 nan 0.000 0.463 188 A N 3.781 126.319 122.820 -0.470 0.000 2.317 188 A HA 0.808 5.130 4.320 0.004 0.000 0.327 188 A C 0.035 176.926 177.584 -1.155 0.000 1.178 188 A CA -0.070 51.612 52.037 -0.592 0.000 0.817 188 A CB 0.792 19.432 19.000 -0.599 0.000 1.189 188 A HN 1.260 nan 8.150 nan 0.000 0.489 189 G N -0.325 108.006 108.800 -0.782 0.000 2.543 189 G HA2 0.557 4.519 3.960 0.004 0.000 0.290 189 G HA3 0.557 4.519 3.960 0.004 0.000 0.290 189 G C 0.845 175.306 174.900 -0.732 0.000 1.310 189 G CA -0.157 44.364 45.100 -0.966 0.000 1.025 189 G HN 2.171 nan 8.290 nan 0.000 0.502 190 G N -1.613 106.820 108.800 -0.611 0.000 2.159 190 G HA2 -0.194 3.769 3.960 0.004 0.000 0.170 190 G HA3 -0.194 3.769 3.960 0.004 0.000 0.170 190 G C 0.375 175.296 174.900 0.035 0.000 1.007 190 G CA -0.212 44.774 45.100 -0.189 0.000 0.672 190 G HN 0.718 nan 8.290 nan 0.000 0.507 191 R N 1.037 121.528 120.500 -0.015 0.000 2.291 191 R HA 0.571 4.914 4.340 0.004 0.000 0.333 191 R C 0.863 177.087 176.300 -0.127 0.000 1.082 191 R CA 0.499 56.566 56.100 -0.054 0.000 0.948 191 R CB 0.846 31.077 30.300 -0.116 0.000 1.009 191 R HN 0.482 nan 8.270 nan 0.000 0.460 192 A N 3.144 125.914 122.820 -0.084 0.000 2.388 192 A HA 0.092 4.415 4.320 0.004 0.000 0.257 192 A C -0.149 177.302 177.584 -0.222 0.000 1.095 192 A CA -0.559 51.336 52.037 -0.237 0.000 0.791 192 A CB 0.360 19.389 19.000 0.049 0.000 1.029 192 A HN 0.552 nan 8.150 nan 0.000 0.489 193 D N 1.002 121.233 120.400 -0.281 0.000 2.399 193 D HA 0.385 5.028 4.640 0.004 0.000 0.241 193 D C 0.802 176.822 176.300 -0.466 0.000 1.133 193 D CA 0.875 54.658 54.000 -0.362 0.000 0.890 193 D CB 0.982 41.516 40.800 -0.442 0.000 1.201 193 D HN 0.678 nan 8.370 nan 0.000 0.432 194 T N -1.762 112.432 114.554 -0.599 0.000 2.949 194 T HA 0.523 4.876 4.350 0.004 0.000 0.287 194 T C 0.137 174.290 174.700 -0.911 0.000 1.034 194 T CA -0.825 60.922 62.100 -0.588 0.000 1.018 194 T CB 1.189 69.875 68.868 -0.303 0.000 1.135 194 T HN 0.514 nan 8.240 nan 0.000 0.532 195 W N 0.238 121.454 121.300 -0.140 0.000 2.518 195 W HA 0.341 5.004 4.660 0.004 0.000 0.352 195 W C 0.509 176.680 176.519 -0.579 0.000 0.952 195 W CA -0.648 56.586 57.345 -0.185 0.000 1.624 195 W CB 0.593 30.007 29.460 -0.076 0.000 1.135 195 W HN 0.987 nan 8.180 nan 0.000 0.540 196 E N -0.612 119.165 120.200 -0.704 0.000 2.423 196 E HA 0.374 4.727 4.350 0.004 0.000 0.280 196 E C -2.941 173.259 176.600 -0.667 0.000 1.030 196 E CA -2.442 53.494 56.400 -0.773 0.000 0.812 196 E CB 1.673 31.209 29.700 -0.274 0.000 1.313 196 E HN -0.373 nan 8.360 nan 0.000 0.456 197 P HA 0.018 nan 4.420 nan 0.000 0.268 197 P C -0.596 176.673 177.300 -0.053 0.000 1.204 197 P CA 0.114 63.124 63.100 -0.151 0.000 0.768 197 P CB 0.551 32.226 31.700 -0.042 0.000 0.842 198 E N 2.041 122.252 120.200 0.018 0.000 2.392 198 E HA 0.024 4.376 4.350 0.004 0.000 0.259 198 E C -0.510 176.108 176.600 0.030 0.000 1.108 198 E CA -0.278 56.145 56.400 0.039 0.000 0.916 198 E CB 0.379 30.116 29.700 0.062 0.000 0.989 198 E HN 0.381 nan 8.360 nan 0.000 0.432 199 D N 2.857 123.250 120.400 -0.011 0.000 2.443 199 D HA 0.225 4.867 4.640 0.004 0.000 0.221 199 D C -1.067 175.171 176.300 -0.102 0.000 1.097 199 D CA -0.153 53.829 54.000 -0.030 0.000 0.865 199 D CB 1.280 42.057 40.800 -0.039 0.000 1.034 199 D HN 0.061 nan 8.370 nan 0.000 0.511 200 V N 3.192 122.996 119.914 -0.183 0.000 2.604 200 V HA 0.133 4.255 4.120 0.004 0.000 0.305 200 V C -0.453 175.320 176.094 -0.535 0.000 1.043 200 V CA -1.064 60.931 62.300 -0.508 0.000 0.888 200 V CB 1.935 33.158 31.823 -1.001 0.000 0.995 200 V HN 0.381 nan 8.190 nan 0.000 0.429 201 Y N 3.082 123.078 120.300 -0.506 0.000 2.531 201 Y HA 0.233 4.786 4.550 0.004 0.000 0.347 201 Y C 0.167 175.853 175.900 -0.357 0.000 1.024 201 Y CA -0.736 57.176 58.100 -0.314 0.000 1.306 201 Y CB 0.570 38.908 38.460 -0.203 0.000 1.149 201 Y HN 0.766 nan 8.280 nan 0.000 0.527 202 W N 4.475 125.543 121.300 -0.386 0.000 3.220 202 W HA 0.499 5.162 4.660 0.004 0.000 0.328 202 W C 0.785 176.959 176.519 -0.575 0.000 1.205 202 W CA 0.439 57.596 57.345 -0.313 0.000 1.773 202 W CB 0.394 29.891 29.460 0.062 0.000 1.086 202 W HN 0.989 nan 8.180 nan 0.000 0.622 203 G N -0.496 107.711 108.800 -0.988 0.000 2.347 203 G HA2 -0.046 3.917 3.960 0.004 0.000 0.477 203 G HA3 -0.046 3.917 3.960 0.004 0.000 0.477 203 G C 0.019 174.707 174.900 -0.353 0.000 1.349 203 G CA -0.311 44.381 45.100 -0.681 0.000 1.000 203 G HN -0.211 nan 8.290 nan 0.000 0.605 204 S N -0.256 115.400 115.700 -0.073 0.000 2.559 204 S HA 0.255 4.728 4.470 0.004 0.000 0.226 204 S C 0.562 175.137 174.600 -0.041 0.000 1.000 204 S CA 0.233 58.452 58.200 0.031 0.000 0.948 204 S CB 0.363 63.636 63.200 0.121 0.000 0.870 204 S HN 0.593 nan 8.310 nan 0.000 0.497 205 E N 1.998 122.143 120.200 -0.092 0.000 2.398 205 E HA 0.129 4.482 4.350 0.004 0.000 0.263 205 E C 0.571 177.065 176.600 -0.176 0.000 1.046 205 E CA 0.195 56.527 56.400 -0.113 0.000 0.908 205 E CB 0.425 30.052 29.700 -0.122 0.000 0.963 205 E HN -0.090 nan 8.360 nan 0.000 0.431 206 K N 1.842 122.149 120.400 -0.156 0.000 2.414 206 K HA 0.314 4.636 4.320 0.004 0.000 0.204 206 K C -0.236 176.232 176.600 -0.220 0.000 1.026 206 K CA 0.063 56.237 56.287 -0.189 0.000 1.108 206 K CB 0.310 32.741 32.500 -0.114 0.000 0.855 206 K HN 0.428 nan 8.250 nan 0.000 0.517 207 I N 0.367 120.807 120.570 -0.216 0.000 2.447 207 I HA 0.264 4.437 4.170 0.004 0.000 0.287 207 I C -0.582 175.440 176.117 -0.158 0.000 1.023 207 I CA -1.060 60.149 61.300 -0.152 0.000 1.083 207 I CB 1.319 39.291 38.000 -0.048 0.000 1.245 207 I HN -0.044 nan 8.210 nan 0.000 0.434 208 W N 6.979 128.259 121.300 -0.035 0.000 2.343 208 W HA 0.158 4.820 4.660 0.004 0.000 0.337 208 W C 0.904 177.387 176.519 -0.061 0.000 1.320 208 W CA -0.035 57.273 57.345 -0.061 0.000 1.290 208 W CB 0.184 29.624 29.460 -0.034 0.000 1.206 208 W HN 0.464 nan 8.180 nan 0.000 0.565 209 L N 1.289 122.627 121.223 0.193 0.000 4.040 209 L HA -0.278 4.064 4.340 0.004 0.000 0.410 209 L C 0.639 177.542 176.870 0.056 0.000 1.187 209 L CA 0.196 55.090 54.840 0.089 0.000 0.956 209 L CB -1.702 40.410 42.059 0.089 0.000 2.022 209 L HN 0.558 nan 8.230 nan 0.000 0.897 210 E N 1.069 121.287 120.200 0.030 0.000 2.414 210 E HA 0.275 4.627 4.350 0.004 0.000 0.263 210 E C 0.287 176.913 176.600 0.043 0.000 1.000 210 E CA -0.317 56.099 56.400 0.026 0.000 0.914 210 E CB 0.607 30.307 29.700 -0.001 0.000 0.948 210 E HN 0.246 nan 8.360 nan 0.000 0.444 211 L N 3.001 124.252 121.223 0.047 0.000 2.452 211 L HA 0.094 4.437 4.340 0.004 0.000 0.267 211 L C 0.932 177.843 176.870 0.068 0.000 1.188 211 L CA -0.487 54.387 54.840 0.057 0.000 0.821 211 L CB 0.812 42.897 42.059 0.043 0.000 1.102 211 L HN 0.628 nan 8.230 nan 0.000 0.470 212 S N 0.393 116.146 115.700 0.088 0.000 2.580 212 S HA 0.330 4.802 4.470 0.004 0.000 0.266 212 S C 1.060 175.708 174.600 0.081 0.000 1.354 212 S CA -0.044 58.233 58.200 0.129 0.000 1.008 212 S CB 1.077 64.358 63.200 0.134 0.000 0.898 212 S HN 1.120 nan 8.310 nan 0.000 0.555 213 G N 0.109 108.967 108.800 0.096 0.000 2.176 213 G HA2 -0.078 3.885 3.960 0.004 0.000 0.253 213 G HA3 -0.078 3.885 3.960 0.004 0.000 0.253 213 G C 0.548 175.477 174.900 0.048 0.000 0.979 213 G CA 0.176 45.316 45.100 0.065 0.000 0.641 213 G HN 1.373 nan 8.290 nan 0.000 0.530 214 G N 0.190 109.018 108.800 0.046 0.000 2.621 214 G HA2 0.592 4.554 3.960 0.004 0.000 0.271 214 G HA3 0.592 4.554 3.960 0.004 0.000 0.271 214 G C -0.122 174.794 174.900 0.027 0.000 1.236 214 G CA -0.011 45.107 45.100 0.030 0.000 0.958 214 G HN 0.142 nan 8.290 nan 0.000 0.512 215 P HA -0.052 nan 4.420 nan 0.000 0.222 215 P C 0.430 177.739 177.300 0.016 0.000 1.147 215 P CA 0.858 63.967 63.100 0.014 0.000 0.790 215 P CB 0.334 32.037 31.700 0.006 0.000 0.780 216 N N -0.315 118.394 118.700 0.014 0.000 2.467 216 N HA 0.053 4.796 4.740 0.004 0.000 0.278 216 N C -0.104 175.420 175.510 0.024 0.000 1.306 216 N CA -0.011 53.049 53.050 0.017 0.000 0.905 216 N CB 0.378 38.865 38.487 0.000 0.000 1.236 216 N HN -0.007 nan 8.380 nan 0.000 0.509 217 S N 1.086 116.808 115.700 0.037 0.000 2.537 217 S HA 0.021 4.494 4.470 0.004 0.000 0.286 217 S C 1.502 176.125 174.600 0.037 0.000 1.299 217 S CA -0.332 57.902 58.200 0.058 0.000 1.067 217 S CB 0.629 63.881 63.200 0.087 0.000 0.864 217 S HN 0.449 nan 8.310 nan 0.000 0.494 218 R N 3.318 123.817 120.500 -0.002 0.000 2.310 218 R HA 0.142 4.485 4.340 0.004 0.000 0.202 218 R C -0.570 175.576 176.300 -0.257 0.000 0.933 218 R CA 0.231 56.257 56.100 -0.124 0.000 1.054 218 R CB -0.160 30.014 30.300 -0.211 0.000 0.985 218 R HN 0.568 nan 8.270 nan 0.000 0.489 219 Y N 1.109 121.431 120.300 0.036 0.000 2.377 219 Y HA 0.370 4.923 4.550 0.004 0.000 0.339 219 Y C 0.213 176.133 175.900 0.033 0.000 1.011 219 Y CA -0.568 57.554 58.100 0.036 0.000 1.093 219 Y CB 2.147 40.628 38.460 0.035 0.000 1.201 219 Y HN 0.110 nan 8.280 nan 0.000 0.455 220 S N 0.728 116.544 115.700 0.194 0.000 2.661 220 S HA 0.854 5.326 4.470 0.004 0.000 0.285 220 S C 0.232 174.904 174.600 0.121 0.000 1.138 220 S CA -0.399 57.877 58.200 0.127 0.000 0.855 220 S CB 1.513 64.760 63.200 0.079 0.000 1.136 220 S HN 1.347 nan 8.310 nan 0.000 0.484 221 G N 1.651 110.501 108.800 0.083 0.000 2.634 221 G HA2 -0.313 3.650 3.960 0.004 0.000 0.309 221 G HA3 -0.313 3.650 3.960 0.004 0.000 0.309 221 G C -0.147 174.791 174.900 0.065 0.000 1.265 221 G CA 0.795 45.934 45.100 0.065 0.000 0.998 221 G HN 1.172 nan 8.290 nan 0.000 0.551 222 D N 1.192 121.628 120.400 0.060 0.000 2.688 222 D HA 0.367 5.010 4.640 0.004 0.000 0.228 222 D C 1.195 177.535 176.300 0.067 0.000 1.116 222 D CA 0.274 54.303 54.000 0.048 0.000 1.023 222 D CB -0.789 40.035 40.800 0.039 0.000 1.100 222 D HN 0.703 nan 8.370 nan 0.000 0.487 223 R N 1.385 121.927 120.500 0.071 0.000 3.251 223 R HA -0.195 4.148 4.340 0.004 0.000 0.249 223 R C -0.692 175.786 176.300 0.297 0.000 0.949 223 R CA 0.439 56.601 56.100 0.103 0.000 0.645 223 R CB -0.801 29.463 30.300 -0.060 0.000 1.065 223 R HN 0.400 nan 8.270 nan 0.000 0.452 224 Q N 1.077 121.048 119.800 0.285 0.000 2.294 224 Q HA 0.167 4.510 4.340 0.004 0.000 0.257 224 Q C -0.148 175.948 176.000 0.161 0.000 0.955 224 Q CA -0.540 55.388 55.803 0.209 0.000 0.936 224 Q CB 1.381 30.187 28.738 0.114 0.000 1.188 224 Q HN 0.262 nan 8.270 nan 0.000 0.420 225 L N 3.300 124.543 121.223 0.032 0.000 2.305 225 L HA 0.146 4.489 4.340 0.004 0.000 0.281 225 L C 0.178 176.967 176.870 -0.136 0.000 1.085 225 L CA -0.075 54.589 54.840 -0.293 0.000 0.813 225 L CB 0.644 42.545 42.059 -0.264 0.000 1.157 225 L HN 0.526 nan 8.230 nan 0.000 0.436 226 E N 2.951 123.061 120.200 -0.150 0.000 2.415 226 E HA 0.072 4.424 4.350 0.004 0.000 0.263 226 E C -0.603 175.976 176.600 -0.034 0.000 0.995 226 E CA -0.129 56.238 56.400 -0.054 0.000 0.915 226 E CB 0.006 29.696 29.700 -0.017 0.000 0.951 226 E HN 0.639 nan 8.360 nan 0.000 0.449 227 N N 3.448 122.131 118.700 -0.029 0.000 2.479 227 N HA 0.038 4.781 4.740 0.004 0.000 0.257 227 N C -1.722 173.778 175.510 -0.018 0.000 1.232 227 N CA -0.967 52.062 53.050 -0.035 0.000 0.920 227 N CB 0.604 39.054 38.487 -0.061 0.000 1.105 227 N HN 0.554 nan 8.380 nan 0.000 0.444 228 P HA 0.134 nan 4.420 nan 0.000 0.259 228 P C -0.685 176.609 177.300 -0.009 0.000 1.530 228 P CA 0.094 63.176 63.100 -0.030 0.000 1.022 228 P CB 0.274 31.936 31.700 -0.063 0.000 1.514 229 L N 0.270 121.502 121.223 0.016 0.000 2.417 229 L HA 0.451 4.793 4.340 0.004 0.000 0.268 229 L C 1.177 178.058 176.870 0.018 0.000 1.158 229 L CA -0.356 54.493 54.840 0.014 0.000 0.819 229 L CB 0.672 42.717 42.059 -0.024 0.000 1.112 229 L HN -0.040 nan 8.230 nan 0.000 0.458 230 A N 1.765 124.625 122.820 0.066 0.000 2.605 230 A HA 0.694 5.017 4.320 0.004 0.000 0.292 230 A C 0.085 177.773 177.584 0.173 0.000 1.055 230 A CA 0.169 52.272 52.037 0.110 0.000 0.969 230 A CB 0.386 19.451 19.000 0.107 0.000 1.236 230 A HN 0.695 nan 8.150 nan 0.000 0.534 231 A N -0.651 122.235 122.820 0.109 0.000 2.498 231 A HA 0.628 4.951 4.320 0.004 0.000 0.298 231 A C 0.774 178.404 177.584 0.076 0.000 1.075 231 A CA 0.220 52.317 52.037 0.100 0.000 0.714 231 A CB 0.902 19.893 19.000 -0.015 0.000 1.299 231 A HN 1.155 nan 8.150 nan 0.000 0.407 232 V N -1.978 118.024 119.914 0.148 0.000 3.235 232 V HA 0.263 4.385 4.120 0.004 0.000 0.259 232 V C 0.296 176.509 176.094 0.198 0.000 1.133 232 V CA 1.100 63.559 62.300 0.266 0.000 1.128 232 V CB -0.969 31.046 31.823 0.319 0.000 0.757 232 V HN 0.706 nan 8.190 nan 0.000 0.469 233 Q N 0.047 119.881 119.800 0.057 0.000 2.377 233 Q HA 0.526 4.869 4.340 0.004 0.000 0.279 233 Q C -1.154 174.775 176.000 -0.118 0.000 1.049 233 Q CA -0.970 54.836 55.803 0.005 0.000 0.825 233 Q CB 2.339 31.094 28.738 0.028 0.000 1.401 233 Q HN 0.288 nan 8.270 nan 0.000 0.404 234 M N 1.515 121.039 119.600 -0.127 0.000 2.390 234 M HA 0.261 4.744 4.480 0.004 0.000 0.353 234 M C 0.795 176.961 176.300 -0.224 0.000 1.623 234 M CA 1.735 56.902 55.300 -0.222 0.000 1.065 234 M CB -0.725 31.755 32.600 -0.201 0.000 2.025 234 M HN 0.876 nan 8.290 nan 0.000 0.461 235 G N 3.828 112.180 108.800 -0.746 0.000 2.179 235 G HA2 -0.148 3.815 3.960 0.004 0.000 0.220 235 G HA3 -0.148 3.815 3.960 0.004 0.000 0.220 235 G C -0.259 174.186 174.900 -0.758 0.000 0.990 235 G CA 0.004 44.487 45.100 -1.028 0.000 0.646 235 G HN 0.686 nan 8.290 nan 0.000 0.517 236 L N 0.923 121.789 121.223 -0.595 0.000 2.352 236 L HA 0.518 4.860 4.340 0.004 0.000 0.269 236 L C 1.786 178.454 176.870 -0.337 0.000 1.034 236 L CA -1.476 53.172 54.840 -0.320 0.000 0.806 236 L CB 0.830 42.815 42.059 -0.123 0.000 1.244 236 L HN -0.155 nan 8.230 nan 0.000 0.447 237 I N 0.017 120.426 120.570 -0.269 0.000 2.206 237 I HA -0.164 4.009 4.170 0.004 0.000 0.239 237 I C 1.315 177.099 176.117 -0.554 0.000 1.078 237 I CA 2.075 63.082 61.300 -0.488 0.000 1.367 237 I CB -0.561 36.913 38.000 -0.876 0.000 1.078 237 I HN 0.634 nan 8.210 nan 0.000 0.413 238 Y N -0.344 119.993 120.300 0.062 0.000 3.224 238 Y HA 0.267 4.820 4.550 0.004 0.000 0.184 238 Y C 0.765 176.762 175.900 0.162 0.000 0.891 238 Y CA -0.340 57.837 58.100 0.128 0.000 1.736 238 Y CB -0.080 38.512 38.460 0.221 0.000 1.411 238 Y HN -0.126 nan 8.280 nan 0.000 0.402 239 V N -0.906 119.252 119.914 0.406 0.000 3.166 239 V HA 0.512 4.635 4.120 0.004 0.000 0.317 239 V C -0.761 175.475 176.094 0.235 0.000 1.136 239 V CA -1.129 61.353 62.300 0.302 0.000 1.035 239 V CB 1.729 33.739 31.823 0.311 0.000 1.110 239 V HN 0.346 nan 8.190 nan 0.000 0.450 240 N N 2.572 121.387 118.700 0.192 0.000 2.422 240 N HA 0.396 5.138 4.740 0.004 0.000 0.264 240 N C -1.509 174.113 175.510 0.186 0.000 1.063 240 N CA -2.006 51.141 53.050 0.163 0.000 0.959 240 N CB 1.635 40.201 38.487 0.132 0.000 1.087 240 N HN 0.624 nan 8.380 nan 0.000 0.483 241 P HA -0.062 nan 4.420 nan 0.000 0.226 241 P C 0.162 177.587 177.300 0.209 0.000 1.153 241 P CA 1.112 64.345 63.100 0.221 0.000 0.777 241 P CB 0.471 32.312 31.700 0.235 0.000 0.794 242 E N -0.256 120.058 120.200 0.189 0.000 2.435 242 E HA 0.270 4.622 4.350 0.004 0.000 0.195 242 E C 0.976 177.695 176.600 0.199 0.000 1.029 242 E CA 0.304 56.834 56.400 0.215 0.000 0.865 242 E CB -0.071 29.764 29.700 0.224 0.000 0.833 242 E HN 0.264 nan 8.360 nan 0.000 0.510 243 G N 1.527 110.426 108.800 0.165 0.000 2.392 243 G HA2 -0.111 3.852 3.960 0.004 0.000 0.677 243 G HA3 -0.111 3.852 3.960 0.004 0.000 0.677 243 G C -3.071 171.889 174.900 0.099 0.000 1.334 243 G CA -1.361 43.816 45.100 0.129 0.000 0.961 243 G HN -0.207 nan 8.290 nan 0.000 0.616 244 P HA 0.269 nan 4.420 nan 0.000 0.260 244 P C -0.101 177.212 177.300 0.022 0.000 1.185 244 P CA 0.844 63.962 63.100 0.030 0.000 0.763 244 P CB 0.285 31.979 31.700 -0.011 0.000 0.776 245 D N 3.384 123.800 120.400 0.028 0.000 2.811 245 D HA -0.202 4.441 4.640 0.004 0.000 0.231 245 D C 1.176 177.510 176.300 0.057 0.000 1.157 245 D CA 2.025 56.045 54.000 0.034 0.000 0.716 245 D CB -1.598 39.204 40.800 0.004 0.000 1.077 245 D HN 0.790 nan 8.370 nan 0.000 0.428 246 G N -0.684 108.166 108.800 0.084 0.000 2.159 246 G HA2 -0.320 3.643 3.960 0.004 0.000 0.256 246 G HA3 -0.320 3.643 3.960 0.004 0.000 0.256 246 G C 0.028 175.006 174.900 0.130 0.000 0.977 246 G CA 0.104 45.280 45.100 0.127 0.000 0.652 246 G HN 0.401 nan 8.290 nan 0.000 0.531 247 N N 1.577 120.315 118.700 0.063 0.000 2.439 247 N HA 0.409 5.152 4.740 0.004 0.000 0.249 247 N C -2.554 172.953 175.510 -0.004 0.000 1.003 247 N CA -1.324 51.727 53.050 0.003 0.000 0.942 247 N CB 1.945 40.433 38.487 0.001 0.000 1.115 247 N HN 0.116 nan 8.380 nan 0.000 0.505 248 P HA 0.083 nan 4.420 nan 0.000 0.225 248 P C -0.789 176.614 177.300 0.172 0.000 1.813 248 P CA -0.091 63.034 63.100 0.042 0.000 1.013 248 P CB -0.135 31.470 31.700 -0.159 0.000 1.961 249 D N 2.517 122.979 120.400 0.104 0.000 2.441 249 D HA 0.228 4.871 4.640 0.004 0.000 0.231 249 D C -1.796 174.529 176.300 0.041 0.000 1.073 249 D CA -2.563 51.474 54.000 0.062 0.000 0.850 249 D CB 1.604 42.419 40.800 0.024 0.000 1.062 249 D HN -0.027 nan 8.370 nan 0.000 0.524 250 P HA -0.093 nan 4.420 nan 0.000 0.220 250 P C 1.496 178.814 177.300 0.029 0.000 1.148 250 P CA 0.345 63.429 63.100 -0.027 0.000 0.803 250 P CB 0.538 32.156 31.700 -0.137 0.000 0.782 251 V N 0.126 120.050 119.914 0.016 0.000 2.379 251 V HA -0.172 3.950 4.120 0.004 0.000 0.245 251 V C 2.455 178.567 176.094 0.030 0.000 1.044 251 V CA 2.158 64.478 62.300 0.035 0.000 1.036 251 V CB -1.588 30.247 31.823 0.020 0.000 0.664 251 V HN 0.097 nan 8.190 nan 0.000 0.453 252 A N -0.055 122.779 122.820 0.023 0.000 1.929 252 A HA 0.015 4.337 4.320 0.004 0.000 0.216 252 A C 2.418 180.028 177.584 0.043 0.000 1.176 252 A CA 1.640 53.690 52.037 0.022 0.000 0.628 252 A CB -0.674 18.331 19.000 0.009 0.000 0.816 252 A HN 0.529 nan 8.150 nan 0.000 0.444 253 A N 0.213 123.069 122.820 0.060 0.000 1.917 253 A HA 0.060 4.383 4.320 0.004 0.000 0.219 253 A C 2.485 180.136 177.584 0.112 0.000 1.182 253 A CA 2.237 54.327 52.037 0.089 0.000 0.633 253 A CB -1.032 18.024 19.000 0.094 0.000 0.819 253 A HN 1.093 nan 8.150 nan 0.000 0.448 254 A N -0.554 122.333 122.820 0.113 0.000 1.940 254 A HA -0.197 4.125 4.320 0.004 0.000 0.219 254 A C 2.267 179.923 177.584 0.120 0.000 1.176 254 A CA 1.735 53.875 52.037 0.172 0.000 0.631 254 A CB -0.530 18.545 19.000 0.125 0.000 0.814 254 A HN 0.556 nan 8.150 nan 0.000 0.446 255 R N -0.362 120.177 120.500 0.065 0.000 2.073 255 R HA -0.175 4.167 4.340 0.004 0.000 0.234 255 R C 1.394 177.754 176.300 0.101 0.000 1.134 255 R CA 1.950 58.082 56.100 0.053 0.000 0.952 255 R CB -0.421 29.897 30.300 0.031 0.000 0.850 255 R HN 0.446 nan 8.270 nan 0.000 0.433 256 D N 0.462 120.934 120.400 0.120 0.000 2.117 256 D HA -0.141 4.502 4.640 0.004 0.000 0.197 256 D C 1.940 178.372 176.300 0.219 0.000 0.987 256 D CA 1.209 55.312 54.000 0.172 0.000 0.829 256 D CB -0.178 40.723 40.800 0.169 0.000 0.961 256 D HN 0.311 nan 8.370 nan 0.000 0.460 257 I N 0.405 121.103 120.570 0.212 0.000 2.179 257 I HA -0.254 3.919 4.170 0.004 0.000 0.242 257 I C 2.586 178.850 176.117 0.244 0.000 1.088 257 I CA 0.966 62.404 61.300 0.231 0.000 1.357 257 I CB -0.180 37.880 38.000 0.100 0.000 1.051 257 I HN -0.074 nan 8.210 nan 0.000 0.409 258 R N 0.877 121.508 120.500 0.218 0.000 2.091 258 R HA -0.255 4.087 4.340 0.004 0.000 0.238 258 R C 2.039 178.444 176.300 0.175 0.000 1.136 258 R CA 2.356 58.567 56.100 0.185 0.000 0.959 258 R CB -0.294 30.041 30.300 0.058 0.000 0.856 258 R HN 0.331 nan 8.270 nan 0.000 0.437 259 D N -0.651 119.847 120.400 0.164 0.000 2.078 259 D HA -0.147 4.496 4.640 0.004 0.000 0.193 259 D C 1.832 178.235 176.300 0.172 0.000 0.990 259 D CA 2.460 56.553 54.000 0.155 0.000 0.827 259 D CB -0.232 40.663 40.800 0.159 0.000 0.975 259 D HN 0.398 nan 8.370 nan 0.000 0.451 260 T N -2.080 112.602 114.554 0.213 0.000 2.746 260 T HA -0.144 4.209 4.350 0.004 0.000 0.267 260 T C 2.097 176.847 174.700 0.083 0.000 1.039 260 T CA 0.931 63.147 62.100 0.193 0.000 1.142 260 T CB -0.978 68.058 68.868 0.281 0.000 0.866 260 T HN 0.090 nan 8.240 nan 0.000 0.444 261 F N 2.304 122.196 119.950 -0.095 0.000 2.186 261 F HA 0.247 4.776 4.527 0.004 0.000 0.299 261 F C 2.926 178.716 175.800 -0.017 0.000 1.090 261 F CA 0.546 58.448 58.000 -0.163 0.000 1.307 261 F CB -0.855 38.047 39.000 -0.163 0.000 1.019 261 F HN 0.260 nan 8.300 nan 0.000 0.489 262 A N -0.012 122.922 122.820 0.189 0.000 1.933 262 A HA -0.188 4.135 4.320 0.004 0.000 0.218 262 A C 2.168 179.811 177.584 0.098 0.000 1.175 262 A CA 1.428 53.546 52.037 0.135 0.000 0.628 262 A CB -0.598 18.472 19.000 0.116 0.000 0.814 262 A HN 0.334 nan 8.150 nan 0.000 0.444 263 R N -1.064 119.486 120.500 0.083 0.000 2.313 263 R HA 0.210 4.552 4.340 0.004 0.000 0.199 263 R C 0.668 176.984 176.300 0.027 0.000 0.958 263 R CA 0.490 56.617 56.100 0.045 0.000 1.047 263 R CB -0.048 30.281 30.300 0.049 0.000 0.955 263 R HN 0.510 nan 8.270 nan 0.000 0.481 264 M N -0.616 119.023 119.600 0.065 0.000 2.589 264 M HA 0.291 4.774 4.480 0.004 0.000 0.344 264 M C 0.219 176.635 176.300 0.194 0.000 1.168 264 M CA -0.146 55.239 55.300 0.142 0.000 0.956 264 M CB 1.328 34.018 32.600 0.150 0.000 1.370 264 M HN 0.124 nan 8.290 nan 0.000 0.518 265 A N 0.408 123.317 122.820 0.147 0.000 3.028 265 A HA -0.138 4.185 4.320 0.004 0.000 0.248 265 A C -0.015 177.626 177.584 0.095 0.000 1.316 265 A CA 0.804 52.920 52.037 0.131 0.000 1.003 265 A CB -1.436 17.658 19.000 0.158 0.000 1.148 265 A HN 0.469 nan 8.150 nan 0.000 0.828 266 M N 1.082 120.762 119.600 0.133 0.000 2.227 266 M HA 0.392 4.875 4.480 0.004 0.000 0.335 266 M C 0.445 176.847 176.300 0.170 0.000 1.053 266 M CA -0.909 54.490 55.300 0.166 0.000 0.973 266 M CB 1.155 33.930 32.600 0.292 0.000 1.623 266 M HN 0.676 nan 8.290 nan 0.000 0.434 267 N N 1.573 120.358 118.700 0.141 0.000 2.366 267 N HA 0.167 4.910 4.740 0.004 0.000 0.277 267 N C 0.204 175.799 175.510 0.140 0.000 1.275 267 N CA -0.155 52.973 53.050 0.131 0.000 0.964 267 N CB 0.406 38.961 38.487 0.113 0.000 1.167 267 N HN 0.367 nan 8.380 nan 0.000 0.568 268 D N -0.450 120.035 120.400 0.140 0.000 2.092 268 D HA -0.182 4.460 4.640 0.004 0.000 0.193 268 D C 1.385 177.774 176.300 0.147 0.000 0.994 268 D CA 1.405 55.527 54.000 0.203 0.000 0.828 268 D CB -0.279 40.611 40.800 0.150 0.000 0.963 268 D HN 0.752 nan 8.370 nan 0.000 0.450 269 E N 0.343 120.615 120.200 0.119 0.000 2.058 269 E HA -0.215 4.138 4.350 0.004 0.000 0.194 269 E C 1.823 178.563 176.600 0.233 0.000 0.997 269 E CA 1.120 57.609 56.400 0.148 0.000 0.801 269 E CB 0.078 29.878 29.700 0.167 0.000 0.746 269 E HN 0.374 nan 8.360 nan 0.000 0.450 270 E N -0.596 119.715 120.200 0.187 0.000 2.106 270 E HA -0.122 4.231 4.350 0.004 0.000 0.192 270 E C 2.086 178.760 176.600 0.124 0.000 0.984 270 E CA 1.418 57.930 56.400 0.187 0.000 0.806 270 E CB -0.005 29.790 29.700 0.158 0.000 0.750 270 E HN 0.191 nan 8.360 nan 0.000 0.458 271 T N 0.776 115.337 114.554 0.012 0.000 2.737 271 T HA -0.117 4.236 4.350 0.004 0.000 0.265 271 T C 2.128 176.591 174.700 -0.396 0.000 1.038 271 T CA 1.050 62.969 62.100 -0.303 0.000 1.144 271 T CB -0.183 68.418 68.868 -0.444 0.000 0.866 271 T HN -0.023 nan 8.240 nan 0.000 0.434 272 V N 1.736 121.499 119.914 -0.252 0.000 2.343 272 V HA -0.151 3.972 4.120 0.004 0.000 0.247 272 V C 2.891 179.031 176.094 0.076 0.000 1.051 272 V CA 1.664 63.853 62.300 -0.185 0.000 1.036 272 V CB -1.210 30.554 31.823 -0.098 0.000 0.654 272 V HN 0.522 nan 8.190 nan 0.000 0.451 273 A N -0.361 122.659 122.820 0.333 0.000 1.902 273 A HA -0.159 4.163 4.320 0.004 0.000 0.217 273 A C 2.240 179.849 177.584 0.043 0.000 1.181 273 A CA 1.815 54.079 52.037 0.378 0.000 0.623 273 A CB -0.501 18.746 19.000 0.411 0.000 0.818 273 A HN 0.491 nan 8.150 nan 0.000 0.443 274 L N -0.754 120.479 121.223 0.016 0.000 2.027 274 L HA -0.152 4.190 4.340 0.004 0.000 0.206 274 L C 2.528 179.121 176.870 -0.462 0.000 1.074 274 L CA 1.340 56.134 54.840 -0.077 0.000 0.745 274 L CB -0.485 41.623 42.059 0.081 0.000 0.898 274 L HN 0.386 nan 8.230 nan 0.000 0.433 275 I N -0.190 120.046 120.570 -0.557 0.000 2.179 275 I HA -0.261 3.912 4.170 0.004 0.000 0.242 275 I C 2.779 178.237 176.117 -1.098 0.000 1.088 275 I CA 1.259 62.061 61.300 -0.830 0.000 1.357 275 I CB -0.523 37.037 38.000 -0.734 0.000 1.051 275 I HN 0.173 nan 8.210 nan 0.000 0.409 276 A N 0.964 123.185 122.820 -0.999 0.000 1.930 276 A HA -0.074 4.249 4.320 0.004 0.000 0.217 276 A C 2.413 179.364 177.584 -1.055 0.000 1.175 276 A CA 1.763 52.871 52.037 -1.547 0.000 0.627 276 A CB -1.393 16.863 19.000 -1.239 0.000 0.815 276 A HN 0.467 nan 8.150 nan 0.000 0.443 277 G N -0.345 107.943 108.800 -0.853 0.000 2.453 277 G HA2 0.011 3.973 3.960 0.004 0.000 0.215 277 G HA3 0.011 3.973 3.960 0.004 0.000 0.215 277 G C 1.589 175.910 174.900 -0.965 0.000 1.201 277 G CA 1.262 45.483 45.100 -1.465 0.000 0.784 277 G HN 0.689 nan 8.290 nan 0.000 0.545 278 G N -0.189 108.145 108.800 -0.777 0.000 2.446 278 G HA2 -0.199 3.764 3.960 0.004 0.000 0.217 278 G HA3 -0.199 3.764 3.960 0.004 0.000 0.217 278 G C 1.446 176.204 174.900 -0.237 0.000 1.168 278 G CA 0.919 45.851 45.100 -0.280 0.000 0.771 278 G HN 0.677 nan 8.290 nan 0.000 0.551 279 H N -0.112 118.432 119.070 -0.877 0.000 2.543 279 H HA 0.105 4.664 4.556 0.005 0.000 0.269 279 H C 1.991 176.844 175.328 -0.792 0.000 1.005 279 H CA 0.207 55.460 56.048 -1.325 0.000 1.146 279 H CB 0.325 28.912 29.762 -1.957 0.000 1.353 279 H HN 0.246 nan 8.280 nan 0.000 0.595 280 T N 0.384 114.614 114.554 -0.540 0.000 3.035 280 T HA -0.041 4.312 4.350 0.004 0.000 0.268 280 T C 0.071 174.444 174.700 -0.545 0.000 1.109 280 T CA 0.849 62.625 62.100 -0.540 0.000 1.119 280 T CB -0.024 68.363 68.868 -0.802 0.000 0.900 280 T HN 0.091 nan 8.240 nan 0.000 0.503 281 F N 0.076 120.015 119.950 -0.019 0.000 2.522 281 F HA 0.596 5.125 4.527 0.004 0.000 0.324 281 F C 1.207 177.137 175.800 0.218 0.000 1.077 281 F CA -0.637 57.400 58.000 0.062 0.000 0.944 281 F CB 1.290 40.316 39.000 0.043 0.000 1.175 281 F HN 0.209 nan 8.300 nan 0.000 0.468 282 G N 2.296 111.319 108.800 0.371 0.000 2.562 282 G HA2 -0.079 3.884 3.960 0.004 0.000 0.250 282 G HA3 -0.079 3.884 3.960 0.004 0.000 0.250 282 G C -1.023 174.135 174.900 0.430 0.000 1.269 282 G CA 0.049 45.399 45.100 0.417 0.000 0.919 282 G HN 1.092 nan 8.290 nan 0.000 0.574 283 K N -1.984 118.625 120.400 0.348 0.000 2.578 283 K HA 0.724 5.046 4.320 0.004 0.000 0.287 283 K C -0.144 176.349 176.600 -0.180 0.000 1.010 283 K CA -0.185 56.046 56.287 -0.093 0.000 0.889 283 K CB 1.213 33.659 32.500 -0.089 0.000 1.514 283 K HN 1.402 nan 8.250 nan 0.000 0.424 284 T N -1.420 112.867 114.554 -0.446 0.000 2.897 284 T HA 0.462 4.814 4.350 0.004 0.000 0.278 284 T C -0.734 173.594 174.700 -0.621 0.000 0.981 284 T CA -0.439 61.484 62.100 -0.295 0.000 0.973 284 T CB 0.623 69.376 68.868 -0.193 0.000 1.092 284 T HN 0.657 nan 8.240 nan 0.000 0.543 285 H N -0.954 118.105 119.070 -0.019 0.000 2.970 285 H HA 0.600 5.158 4.556 0.004 0.000 0.315 285 H C 0.226 175.536 175.328 -0.031 0.000 0.992 285 H CA -0.582 55.459 56.048 -0.012 0.000 1.363 285 H CB 1.336 31.128 29.762 0.049 0.000 1.532 285 H HN 1.056 nan 8.280 nan 0.000 0.514 286 G N 1.271 110.060 108.800 -0.018 0.000 4.079 286 G HA2 0.428 4.391 3.960 0.004 0.000 0.271 286 G HA3 0.428 4.391 3.960 0.004 0.000 0.271 286 G C 0.665 175.509 174.900 -0.094 0.000 1.144 286 G CA 0.039 45.110 45.100 -0.048 0.000 0.700 286 G HN 0.694 nan 8.290 nan 0.000 0.500 287 A N -0.155 122.623 122.820 -0.069 0.000 2.119 287 A HA 0.648 4.970 4.320 0.004 0.000 0.216 287 A C 1.358 178.761 177.584 -0.301 0.000 1.152 287 A CA 1.234 53.233 52.037 -0.063 0.000 0.708 287 A CB 0.173 19.247 19.000 0.122 0.000 0.805 287 A HN 1.367 nan 8.150 nan 0.000 0.460 288 G N -1.980 106.492 108.800 -0.548 0.000 2.600 288 G HA2 0.508 4.470 3.960 0.004 0.000 0.293 288 G HA3 0.508 4.470 3.960 0.004 0.000 0.293 288 G C -3.545 171.068 174.900 -0.478 0.000 1.408 288 G CA -1.140 43.413 45.100 -0.912 0.000 0.782 288 G HN -0.101 nan 8.290 nan 0.000 0.482 289 P HA 0.280 nan 4.420 nan 0.000 0.267 289 P C 0.724 177.952 177.300 -0.120 0.000 1.200 289 P CA 0.450 63.440 63.100 -0.183 0.000 0.772 289 P CB 1.190 32.815 31.700 -0.126 0.000 0.855 290 A N 2.404 125.181 122.820 -0.071 0.000 2.168 290 A HA -0.110 4.212 4.320 0.004 0.000 0.215 290 A C 1.949 179.536 177.584 0.005 0.000 1.152 290 A CA 1.556 53.577 52.037 -0.027 0.000 0.716 290 A CB -1.372 17.617 19.000 -0.018 0.000 0.794 290 A HN 0.585 nan 8.150 nan 0.000 0.465 291 S N 0.385 116.083 115.700 -0.003 0.000 2.474 291 S HA -0.122 4.350 4.470 0.004 0.000 0.235 291 S C 1.450 176.072 174.600 0.037 0.000 0.997 291 S CA 0.976 59.187 58.200 0.018 0.000 0.949 291 S CB -0.571 62.635 63.200 0.009 0.000 0.766 291 S HN 0.620 nan 8.310 nan 0.000 0.517 292 N N 1.302 120.026 118.700 0.041 0.000 2.396 292 N HA 0.038 4.781 4.740 0.004 0.000 0.180 292 N C 0.038 175.606 175.510 0.097 0.000 1.028 292 N CA 0.534 53.632 53.050 0.081 0.000 0.893 292 N CB -0.114 38.446 38.487 0.121 0.000 0.967 292 N HN 0.317 nan 8.380 nan 0.000 0.440 293 V N 1.051 121.023 119.914 0.097 0.000 2.498 293 V HA 0.375 4.498 4.120 0.004 0.000 0.279 293 V C 1.089 177.256 176.094 0.122 0.000 1.048 293 V CA -0.544 61.837 62.300 0.135 0.000 0.967 293 V CB 1.105 33.023 31.823 0.158 0.000 0.988 293 V HN 0.109 nan 8.190 nan 0.000 0.473 294 G N 2.728 111.593 108.800 0.109 0.000 2.736 294 G HA2 0.625 4.587 3.960 0.004 0.000 0.229 294 G HA3 0.625 4.587 3.960 0.004 0.000 0.229 294 G C 0.067 174.957 174.900 -0.018 0.000 1.380 294 G CA -0.296 44.830 45.100 0.043 0.000 1.040 294 G HN 1.060 nan 8.290 nan 0.000 0.568 295 A N 0.380 123.145 122.820 -0.091 0.000 2.546 295 A HA 0.397 4.720 4.320 0.004 0.000 0.243 295 A C 0.985 178.306 177.584 -0.437 0.000 1.063 295 A CA -0.066 51.859 52.037 -0.186 0.000 0.757 295 A CB -0.142 18.771 19.000 -0.146 0.000 0.991 295 A HN 0.702 nan 8.150 nan 0.000 0.503 296 E N 3.355 123.184 120.200 -0.618 0.000 2.442 296 E HA -0.011 4.342 4.350 0.004 0.000 0.260 296 E C -2.081 174.029 176.600 -0.818 0.000 1.148 296 E CA -0.879 54.823 56.400 -1.163 0.000 0.976 296 E CB -0.438 28.800 29.700 -0.770 0.000 0.967 296 E HN 0.355 nan 8.360 nan 0.000 0.454 297 P HA -0.202 nan 4.420 nan 0.000 0.215 297 P C 1.001 178.107 177.300 -0.323 0.000 1.163 297 P CA 1.593 64.374 63.100 -0.532 0.000 0.894 297 P CB 0.138 31.550 31.700 -0.479 0.000 0.791 298 E N -1.185 118.857 120.200 -0.263 0.000 2.338 298 E HA -0.036 4.317 4.350 0.004 0.000 0.197 298 E C 1.733 178.263 176.600 -0.117 0.000 1.007 298 E CA 0.991 57.305 56.400 -0.143 0.000 0.849 298 E CB -0.419 29.237 29.700 -0.073 0.000 0.774 298 E HN 0.238 nan 8.360 nan 0.000 0.506 299 A N 0.611 123.338 122.820 -0.155 0.000 2.252 299 A HA 0.415 4.738 4.320 0.004 0.000 0.213 299 A C 1.282 178.791 177.584 -0.125 0.000 1.188 299 A CA 0.383 52.353 52.037 -0.112 0.000 0.863 299 A CB 0.215 19.157 19.000 -0.096 0.000 0.893 299 A HN 0.150 nan 8.150 nan 0.000 0.495 300 A N 0.046 122.764 122.820 -0.170 0.000 2.313 300 A HA 0.547 4.870 4.320 0.004 0.000 0.261 300 A C 0.990 178.509 177.584 -0.108 0.000 1.090 300 A CA 0.171 52.118 52.037 -0.150 0.000 0.807 300 A CB -0.358 18.528 19.000 -0.191 0.000 1.055 300 A HN 0.789 nan 8.150 nan 0.000 0.492 301 G N -0.874 107.874 108.800 -0.087 0.000 2.667 301 G HA2 0.345 4.308 3.960 0.004 0.000 0.250 301 G HA3 0.345 4.308 3.960 0.004 0.000 0.250 301 G C 0.900 175.756 174.900 -0.074 0.000 1.212 301 G CA -0.243 44.816 45.100 -0.069 0.000 0.874 301 G HN 0.765 nan 8.290 nan 0.000 0.561 302 I N 0.130 120.663 120.570 -0.061 0.000 2.361 302 I HA -0.127 4.045 4.170 0.004 0.000 0.251 302 I C 2.767 178.843 176.117 -0.067 0.000 1.133 302 I CA 1.452 62.715 61.300 -0.062 0.000 1.413 302 I CB 0.003 37.974 38.000 -0.049 0.000 1.073 302 I HN 0.750 nan 8.210 nan 0.000 0.424 303 E N 1.343 121.507 120.200 -0.060 0.000 2.409 303 E HA -0.161 4.191 4.350 0.004 0.000 0.198 303 E C 1.758 178.314 176.600 -0.074 0.000 1.024 303 E CA 1.110 57.475 56.400 -0.059 0.000 0.861 303 E CB -0.285 29.388 29.700 -0.045 0.000 0.788 303 E HN 0.471 nan 8.360 nan 0.000 0.521 304 A N 0.995 123.764 122.820 -0.086 0.000 2.168 304 A HA -0.103 4.220 4.320 0.004 0.000 0.215 304 A C 0.887 178.392 177.584 -0.133 0.000 1.152 304 A CA 0.501 52.475 52.037 -0.106 0.000 0.716 304 A CB -0.215 18.715 19.000 -0.117 0.000 0.794 304 A HN 0.181 nan 8.150 nan 0.000 0.465 305 Q N -2.313 117.411 119.800 -0.126 0.000 2.439 305 Q HA -0.253 4.089 4.340 0.004 0.000 0.325 305 Q C 0.916 176.813 176.000 -0.171 0.000 1.372 305 Q CA 1.262 56.980 55.803 -0.141 0.000 0.909 305 Q CB -2.282 26.371 28.738 -0.142 0.000 1.167 305 Q HN 1.738 nan 8.270 nan 0.000 0.418 306 G N -1.689 107.009 108.800 -0.171 0.000 2.176 306 G HA2 -0.273 3.689 3.960 0.004 0.000 0.232 306 G HA3 -0.273 3.689 3.960 0.004 0.000 0.232 306 G C 0.163 174.936 174.900 -0.211 0.000 0.986 306 G CA 0.244 45.227 45.100 -0.194 0.000 0.643 306 G HN 0.308 nan 8.290 nan 0.000 0.522 307 L N -0.238 120.864 121.223 -0.202 0.000 2.331 307 L HA 0.869 5.212 4.340 0.004 0.000 0.268 307 L C 0.967 177.696 176.870 -0.234 0.000 1.015 307 L CA -0.423 54.301 54.840 -0.193 0.000 0.807 307 L CB 1.790 43.752 42.059 -0.162 0.000 1.293 307 L HN 0.324 nan 8.230 nan 0.000 0.451 308 G N -2.394 106.261 108.800 -0.241 0.000 2.815 308 G HA2 0.381 4.343 3.960 0.004 0.000 0.305 308 G HA3 0.381 4.343 3.960 0.004 0.000 0.305 308 G C -1.486 173.366 174.900 -0.080 0.000 1.277 308 G CA -0.447 44.435 45.100 -0.362 0.000 0.795 308 G HN 0.673 nan 8.290 nan 0.000 0.528 309 W N 0.275 121.527 121.300 -0.080 0.000 5.121 309 W HA -0.156 4.506 4.660 0.004 0.000 0.372 309 W C 0.658 177.168 176.519 -0.014 0.000 1.394 309 W CA 0.780 58.092 57.345 -0.055 0.000 0.885 309 W CB -1.152 28.259 29.460 -0.083 0.000 2.520 309 W HN 0.560 nan 8.180 nan 0.000 1.455 310 K N 1.642 122.122 120.400 0.133 0.000 2.416 310 K HA 0.238 4.561 4.320 0.004 0.000 0.283 310 K C 0.529 177.216 176.600 0.144 0.000 1.037 310 K CA 0.369 56.733 56.287 0.128 0.000 0.995 310 K CB 0.802 33.340 32.500 0.064 0.000 0.938 310 K HN -0.026 nan 8.250 nan 0.000 0.475 311 S N 2.945 118.750 115.700 0.175 0.000 2.475 311 S HA 0.451 4.923 4.470 0.004 0.000 0.298 311 S C 0.421 175.106 174.600 0.142 0.000 1.119 311 S CA -0.478 57.823 58.200 0.169 0.000 1.085 311 S CB 1.554 64.878 63.200 0.208 0.000 1.028 311 S HN 0.667 nan 8.310 nan 0.000 0.489 312 A N 4.087 126.984 122.820 0.129 0.000 2.251 312 A HA 0.214 4.537 4.320 0.004 0.000 0.209 312 A C 0.113 177.773 177.584 0.127 0.000 1.187 312 A CA 0.021 52.120 52.037 0.102 0.000 0.823 312 A CB -0.372 18.678 19.000 0.084 0.000 0.846 312 A HN 0.837 nan 8.150 nan 0.000 0.486 313 Y N 1.958 122.275 120.300 0.028 0.000 2.504 313 Y HA 0.407 4.959 4.550 0.004 0.000 0.351 313 Y C 0.970 176.868 175.900 -0.003 0.000 0.988 313 Y CA -0.821 57.285 58.100 0.011 0.000 1.239 313 Y CB -0.321 38.146 38.460 0.011 0.000 1.128 313 Y HN 0.555 nan 8.280 nan 0.000 0.525 314 R N 0.479 120.695 120.500 -0.474 0.000 3.869 314 R HA -0.343 3.999 4.340 0.004 0.000 0.424 314 R C 1.634 177.812 176.300 -0.203 0.000 0.241 314 R CA 2.617 58.464 56.100 -0.423 0.000 1.351 314 R CB -1.736 28.165 30.300 -0.666 0.000 0.979 314 R HN 0.753 nan 8.270 nan 0.000 0.572 315 T N -1.167 113.274 114.554 -0.187 0.000 3.055 315 T HA 0.184 4.537 4.350 0.004 0.000 0.265 315 T C 1.452 176.128 174.700 -0.039 0.000 1.111 315 T CA 1.486 63.521 62.100 -0.108 0.000 1.118 315 T CB 0.302 69.085 68.868 -0.142 0.000 0.909 315 T HN 1.295 nan 8.240 nan 0.000 0.501 316 G N 1.774 110.567 108.800 -0.012 0.000 2.176 316 G HA2 -0.222 3.741 3.960 0.004 0.000 0.253 316 G HA3 -0.222 3.741 3.960 0.004 0.000 0.253 316 G C -0.048 174.924 174.900 0.121 0.000 0.979 316 G CA 0.493 45.653 45.100 0.099 0.000 0.641 316 G HN 1.027 nan 8.290 nan 0.000 0.530 317 K N -1.987 118.370 120.400 -0.072 0.000 2.571 317 K HA 0.652 4.974 4.320 0.004 0.000 0.289 317 K C 1.230 177.499 176.600 -0.552 0.000 1.028 317 K CA -0.059 56.003 56.287 -0.374 0.000 0.895 317 K CB 0.966 33.324 32.500 -0.236 0.000 1.534 317 K HN 1.672 nan 8.250 nan 0.000 0.421 318 G N 0.845 109.137 108.800 -0.847 0.000 2.692 318 G HA2 -0.481 3.482 3.960 0.004 0.000 0.339 318 G HA3 -0.481 3.482 3.960 0.004 0.000 0.339 318 G C 1.132 175.551 174.900 -0.802 0.000 1.226 318 G CA 2.035 46.575 45.100 -0.933 0.000 0.979 318 G HN 1.279 nan 8.290 nan 0.000 0.549 319 A N -0.709 121.472 122.820 -1.065 0.000 2.067 319 A HA 0.165 4.487 4.320 0.004 0.000 0.219 319 A C 1.766 179.231 177.584 -0.198 0.000 1.158 319 A CA 2.306 54.042 52.037 -0.503 0.000 0.661 319 A CB -0.222 18.524 19.000 -0.423 0.000 0.801 319 A HN 0.563 nan 8.150 nan 0.000 0.452 320 D N 0.022 120.299 120.400 -0.204 0.000 2.340 320 D HA 0.328 4.970 4.640 0.004 0.000 0.217 320 D C 0.695 177.045 176.300 0.084 0.000 1.081 320 D CA 0.542 54.542 54.000 0.000 0.000 0.842 320 D CB -0.044 40.706 40.800 -0.084 0.000 0.934 320 D HN 0.410 nan 8.370 nan 0.000 0.511 321 A N 0.885 123.697 122.820 -0.014 0.000 2.498 321 A HA 0.339 4.661 4.320 0.004 0.000 0.239 321 A C 0.211 177.898 177.584 0.172 0.000 1.068 321 A CA 0.295 52.367 52.037 0.057 0.000 0.766 321 A CB 0.156 19.110 19.000 -0.076 0.000 1.003 321 A HN 0.193 nan 8.150 nan 0.000 0.497 322 I N 2.303 122.989 120.570 0.192 0.000 2.497 322 I HA 0.273 4.445 4.170 0.004 0.000 0.284 322 I C 0.412 176.594 176.117 0.107 0.000 1.060 322 I CA -0.223 61.154 61.300 0.128 0.000 1.071 322 I CB 2.236 40.276 38.000 0.066 0.000 1.216 322 I HN 0.773 nan 8.210 nan 0.000 0.442 323 T N 1.240 115.847 114.554 0.089 0.000 3.397 323 T HA -0.013 4.340 4.350 0.004 0.000 0.233 323 T C 1.581 176.249 174.700 -0.053 0.000 0.969 323 T CA 0.895 62.981 62.100 -0.023 0.000 1.316 323 T CB 0.093 68.985 68.868 0.040 0.000 1.175 323 T HN 0.620 nan 8.240 nan 0.000 0.381 324 S N 0.342 116.053 115.700 0.019 0.000 2.470 324 S HA 0.404 4.877 4.470 0.004 0.000 0.222 324 S C 1.915 176.515 174.600 0.000 0.000 1.024 324 S CA 0.908 59.116 58.200 0.013 0.000 0.931 324 S CB 0.079 63.318 63.200 0.065 0.000 0.791 324 S HN 0.941 nan 8.310 nan 0.000 0.513 325 G N 0.698 109.495 108.800 -0.005 0.000 2.213 325 G HA2 -0.194 3.769 3.960 0.004 0.000 0.236 325 G HA3 -0.194 3.769 3.960 0.004 0.000 0.236 325 G C -0.107 174.763 174.900 -0.049 0.000 0.991 325 G CA 0.097 45.176 45.100 -0.035 0.000 0.629 325 G HN 0.489 nan 8.290 nan 0.000 0.517 326 L N 0.288 121.491 121.223 -0.033 0.000 2.379 326 L HA 0.756 5.099 4.340 0.004 0.000 0.269 326 L C 0.367 177.168 176.870 -0.114 0.000 1.084 326 L CA -0.690 54.116 54.840 -0.057 0.000 0.802 326 L CB 1.580 43.630 42.059 -0.015 0.000 1.175 326 L HN 0.099 nan 8.230 nan 0.000 0.448 327 E N 1.764 121.870 120.200 -0.156 0.000 2.873 327 E HA 0.436 4.789 4.350 0.004 0.000 0.232 327 E C -1.732 174.698 176.600 -0.283 0.000 1.123 327 E CA -0.157 56.110 56.400 -0.222 0.000 0.809 327 E CB 0.997 30.584 29.700 -0.187 0.000 1.366 327 E HN 0.218 nan 8.360 nan 0.000 0.400 328 V N 2.413 122.086 119.914 -0.402 0.000 2.656 328 V HA 0.643 4.766 4.120 0.004 0.000 0.307 328 V C -0.412 175.207 176.094 -0.791 0.000 1.051 328 V CA -0.673 61.290 62.300 -0.561 0.000 0.893 328 V CB 2.409 33.864 31.823 -0.614 0.000 0.999 328 V HN 0.549 nan 8.190 nan 0.000 0.426 329 T N 3.680 117.844 114.554 -0.650 0.000 2.879 329 T HA 0.323 4.676 4.350 0.004 0.000 0.290 329 T C 0.294 174.777 174.700 -0.362 0.000 0.993 329 T CA -0.444 61.353 62.100 -0.505 0.000 0.975 329 T CB 1.202 69.986 68.868 -0.140 0.000 0.981 329 T HN 0.723 nan 8.240 nan 0.000 0.439 330 W N 2.375 123.662 121.300 -0.022 0.000 2.523 330 W HA 0.072 4.735 4.660 0.005 0.000 0.278 330 W C 1.329 177.835 176.519 -0.022 0.000 1.236 330 W CA 0.365 57.703 57.345 -0.011 0.000 1.306 330 W CB -0.170 29.344 29.460 0.089 0.000 1.101 330 W HN 0.630 nan 8.180 nan 0.000 0.577 331 T N -3.522 111.129 114.554 0.162 0.000 2.901 331 T HA 0.278 4.630 4.350 0.004 0.000 0.293 331 T C 0.997 175.689 174.700 -0.013 0.000 1.084 331 T CA 0.055 62.187 62.100 0.054 0.000 1.008 331 T CB 2.220 71.080 68.868 -0.013 0.000 1.170 331 T HN -0.062 nan 8.240 nan 0.000 0.509 332 T N -1.485 113.057 114.554 -0.019 0.000 3.035 332 T HA 0.098 4.451 4.350 0.004 0.000 0.268 332 T C 1.052 175.702 174.700 -0.083 0.000 1.109 332 T CA 1.021 63.103 62.100 -0.030 0.000 1.119 332 T CB -0.750 68.117 68.868 -0.003 0.000 0.900 332 T HN 1.084 nan 8.240 nan 0.000 0.503 333 T N -0.983 113.495 114.554 -0.126 0.000 3.317 333 T HA 0.498 4.851 4.350 0.004 0.000 0.361 333 T C -2.652 171.910 174.700 -0.231 0.000 1.499 333 T CA -1.518 60.481 62.100 -0.169 0.000 1.529 333 T CB 1.534 70.332 68.868 -0.117 0.000 0.997 333 T HN -0.095 nan 8.240 nan 0.000 0.624 334 P HA -0.015 nan 4.420 nan 0.000 0.228 334 P C 1.311 178.482 177.300 -0.216 0.000 1.151 334 P CA 0.882 63.753 63.100 -0.381 0.000 0.770 334 P CB -0.013 31.144 31.700 -0.905 0.000 0.786 335 T N -5.270 109.151 114.554 -0.223 0.000 3.174 335 T HA 0.296 4.648 4.350 0.004 0.000 0.269 335 T C 0.241 174.934 174.700 -0.012 0.000 1.017 335 T CA -0.329 61.693 62.100 -0.131 0.000 0.899 335 T CB -0.364 68.379 68.868 -0.208 0.000 1.077 335 T HN 0.042 nan 8.240 nan 0.000 0.552 336 Q N 0.526 120.359 119.800 0.055 0.000 2.284 336 Q HA 0.285 4.627 4.340 0.004 0.000 0.269 336 Q C -1.284 174.779 176.000 0.105 0.000 1.026 336 Q CA -0.885 54.995 55.803 0.128 0.000 0.831 336 Q CB 1.858 30.621 28.738 0.041 0.000 1.322 336 Q HN 0.523 nan 8.270 nan 0.000 0.419 337 W N 3.744 125.116 121.300 0.120 0.000 2.343 337 W HA 0.113 4.776 4.660 0.004 0.000 0.337 337 W C -0.572 175.888 176.519 -0.099 0.000 1.320 337 W CA 1.377 58.710 57.345 -0.020 0.000 1.290 337 W CB 0.584 30.198 29.460 0.257 0.000 1.206 337 W HN 0.780 nan 8.180 nan 0.000 0.565 338 S N 3.663 118.756 115.700 -1.011 0.000 2.776 338 S HA 0.374 4.847 4.470 0.004 0.000 0.292 338 S C -0.629 173.470 174.600 -0.836 0.000 1.187 338 S CA -0.858 56.855 58.200 -0.812 0.000 0.834 338 S CB 1.872 64.821 63.200 -0.417 0.000 1.199 338 S HN 0.620 nan 8.310 nan 0.000 0.514 339 H N 0.003 118.861 119.070 -0.353 0.000 2.486 339 H HA 0.408 4.967 4.556 0.004 0.000 0.284 339 H C 1.350 176.671 175.328 -0.012 0.000 1.103 339 H CA -0.244 55.737 56.048 -0.110 0.000 1.089 339 H CB 0.095 29.880 29.762 0.038 0.000 1.603 339 H HN 0.635 nan 8.280 nan 0.000 0.557 340 N N 0.537 119.236 118.700 -0.002 0.000 2.416 340 N HA -0.118 4.625 4.740 0.004 0.000 0.177 340 N C 1.492 177.023 175.510 0.035 0.000 1.036 340 N CA 0.143 53.211 53.050 0.030 0.000 0.901 340 N CB 0.150 38.626 38.487 -0.019 0.000 0.976 340 N HN 0.229 nan 8.380 nan 0.000 0.444 341 F N 1.000 120.840 119.950 -0.182 0.000 2.069 341 F HA -0.165 4.364 4.527 0.004 0.000 0.298 341 F C 1.563 177.198 175.800 -0.277 0.000 1.113 341 F CA 1.734 59.557 58.000 -0.295 0.000 1.214 341 F CB -0.478 38.173 39.000 -0.581 0.000 0.978 341 F HN -0.020 nan 8.300 nan 0.000 0.474 342 F N 0.360 120.326 119.950 0.027 0.000 2.293 342 F HA -0.075 4.455 4.527 0.004 0.000 0.297 342 F C 2.307 177.961 175.800 -0.244 0.000 1.089 342 F CA 0.911 58.842 58.000 -0.115 0.000 1.377 342 F CB -0.485 38.514 39.000 -0.002 0.000 1.051 342 F HN -0.014 nan 8.300 nan 0.000 0.511 343 E N 0.530 120.776 120.200 0.076 0.000 2.049 343 E HA -0.248 4.105 4.350 0.004 0.000 0.198 343 E C 1.847 178.471 176.600 0.039 0.000 1.007 343 E CA 1.630 58.078 56.400 0.081 0.000 0.809 343 E CB -0.210 29.580 29.700 0.150 0.000 0.749 343 E HN 0.343 nan 8.360 nan 0.000 0.450 344 N N 0.626 119.372 118.700 0.077 0.000 2.106 344 N HA -0.141 4.601 4.740 0.004 0.000 0.188 344 N C 1.848 177.567 175.510 0.349 0.000 1.029 344 N CA 0.562 53.776 53.050 0.274 0.000 0.848 344 N CB -0.496 38.172 38.487 0.303 0.000 1.007 344 N HN 0.050 nan 8.380 nan 0.000 0.423 345 L N 0.179 121.385 121.223 -0.029 0.000 2.021 345 L HA -0.119 4.223 4.340 0.004 0.000 0.215 345 L C 1.663 178.497 176.870 -0.061 0.000 1.074 345 L CA 1.725 56.448 54.840 -0.195 0.000 0.760 345 L CB -0.674 40.990 42.059 -0.657 0.000 0.889 345 L HN 0.096 nan 8.230 nan 0.000 0.433 346 F N -1.736 118.203 119.950 -0.018 0.000 2.619 346 F HA 0.181 4.711 4.527 0.004 0.000 0.293 346 F C 2.224 177.980 175.800 -0.072 0.000 1.119 346 F CA 0.487 58.445 58.000 -0.069 0.000 1.445 346 F CB -0.369 38.509 39.000 -0.204 0.000 1.119 346 F HN 0.144 nan 8.300 nan 0.000 0.573 347 G N -1.281 107.534 108.800 0.025 0.000 2.683 347 G HA2 0.007 3.970 3.960 0.004 0.000 0.213 347 G HA3 0.007 3.970 3.960 0.004 0.000 0.213 347 G C -0.144 174.429 174.900 -0.545 0.000 1.142 347 G CA 0.285 45.233 45.100 -0.254 0.000 0.793 347 G HN 0.221 nan 8.290 nan 0.000 0.534 348 Y N -0.344 119.847 120.300 -0.182 0.000 2.598 348 Y HA 0.583 5.135 4.550 0.004 0.000 0.340 348 Y C -0.015 175.553 175.900 -0.553 0.000 1.038 348 Y CA -1.377 56.450 58.100 -0.456 0.000 1.100 348 Y CB 1.355 39.300 38.460 -0.859 0.000 1.281 348 Y HN -0.190 nan 8.280 nan 0.000 0.488 349 E N 0.517 120.539 120.200 -0.297 0.000 2.248 349 E HA 0.215 4.567 4.350 0.004 0.000 0.272 349 E C -1.602 174.758 176.600 -0.399 0.000 1.008 349 E CA -0.578 55.699 56.400 -0.205 0.000 0.856 349 E CB 1.249 30.945 29.700 -0.007 0.000 1.120 349 E HN 0.572 nan 8.360 nan 0.000 0.397 350 W N 0.675 122.091 121.300 0.193 0.000 2.632 350 W HA 0.345 5.008 4.660 0.004 0.000 0.328 350 W C 0.272 177.021 176.519 0.383 0.000 1.044 350 W CA -0.651 56.846 57.345 0.253 0.000 1.225 350 W CB 1.390 30.964 29.460 0.190 0.000 1.396 350 W HN 0.382 nan 8.180 nan 0.000 0.499 351 E N 2.789 123.339 120.200 0.582 0.000 2.210 351 E HA 0.420 4.772 4.350 0.004 0.000 0.266 351 E C -1.510 175.157 176.600 0.113 0.000 0.883 351 E CA -1.057 55.534 56.400 0.317 0.000 0.761 351 E CB 1.621 31.401 29.700 0.134 0.000 1.156 351 E HN 0.456 nan 8.360 nan 0.000 0.412 352 L N 3.831 124.854 121.223 -0.332 0.000 2.416 352 L HA 0.360 4.702 4.340 0.004 0.000 0.272 352 L C -0.187 176.458 176.870 -0.375 0.000 1.161 352 L CA 1.010 55.344 54.840 -0.843 0.000 0.845 352 L CB 1.270 42.758 42.059 -0.952 0.000 1.119 352 L HN 0.736 nan 8.230 nan 0.000 0.464 353 T N 3.802 118.155 114.554 -0.335 0.000 2.671 353 T HA 0.506 4.858 4.350 0.004 0.000 0.300 353 T C -1.351 173.269 174.700 -0.134 0.000 1.238 353 T CA -0.757 61.244 62.100 -0.164 0.000 1.020 353 T CB 1.054 69.865 68.868 -0.095 0.000 1.503 353 T HN 0.604 nan 8.240 nan 0.000 0.497 354 K N 1.380 121.719 120.400 -0.101 0.000 2.378 354 K HA 0.579 4.902 4.320 0.004 0.000 0.252 354 K C -0.174 176.365 176.600 -0.101 0.000 0.931 354 K CA -0.755 55.465 56.287 -0.111 0.000 0.794 354 K CB 1.913 34.342 32.500 -0.119 0.000 1.181 354 K HN 0.754 nan 8.250 nan 0.000 0.425 355 S N 1.586 117.222 115.700 -0.107 0.000 2.596 355 S HA 0.172 4.644 4.470 0.004 0.000 0.260 355 S C -1.745 172.792 174.600 -0.106 0.000 1.336 355 S CA -0.843 57.294 58.200 -0.104 0.000 0.993 355 S CB 0.473 63.611 63.200 -0.104 0.000 0.923 355 S HN 0.357 nan 8.310 nan 0.000 0.567 356 P HA 0.084 nan 4.420 nan 0.000 0.225 356 P C 0.931 178.144 177.300 -0.145 0.000 1.148 356 P CA 1.322 64.352 63.100 -0.116 0.000 0.779 356 P CB -0.222 31.407 31.700 -0.119 0.000 0.780 357 A N -1.082 121.653 122.820 -0.142 0.000 2.218 357 A HA 0.466 4.789 4.320 0.004 0.000 0.209 357 A C 1.683 179.194 177.584 -0.121 0.000 1.168 357 A CA 0.846 52.800 52.037 -0.138 0.000 0.804 357 A CB -0.888 18.040 19.000 -0.121 0.000 0.834 357 A HN 0.241 nan 8.150 nan 0.000 0.482 358 G N -2.199 106.524 108.800 -0.129 0.000 2.163 358 G HA2 0.162 4.124 3.960 0.004 0.000 0.213 358 G HA3 0.162 4.124 3.960 0.004 0.000 0.213 358 G C 0.334 175.106 174.900 -0.213 0.000 0.991 358 G CA 0.122 45.132 45.100 -0.150 0.000 0.653 358 G HN 1.470 nan 8.290 nan 0.000 0.518 359 A N 0.897 123.608 122.820 -0.180 0.000 2.340 359 A HA 0.660 4.982 4.320 0.004 0.000 0.268 359 A C 0.419 177.886 177.584 -0.196 0.000 1.100 359 A CA -0.438 51.487 52.037 -0.188 0.000 0.803 359 A CB 0.238 19.188 19.000 -0.083 0.000 1.043 359 A HN 0.417 nan 8.150 nan 0.000 0.488 360 H N 1.500 120.534 119.070 -0.059 0.000 2.683 360 H HA 0.348 4.906 4.556 0.004 0.000 0.339 360 H C 0.362 175.637 175.328 -0.089 0.000 1.081 360 H CA 0.759 56.740 56.048 -0.111 0.000 1.432 360 H CB 0.740 30.444 29.762 -0.097 0.000 1.462 360 H HN 0.814 nan 8.280 nan 0.000 0.557 361 Q N 1.391 121.154 119.800 -0.061 0.000 2.832 361 Q HA 0.406 4.748 4.340 0.004 0.000 0.322 361 Q C -1.719 174.137 176.000 -0.240 0.000 0.842 361 Q CA -1.091 54.705 55.803 -0.012 0.000 0.780 361 Q CB 1.728 30.480 28.738 0.025 0.000 1.411 361 Q HN 0.423 nan 8.270 nan 0.000 0.490 362 W N 0.269 121.585 121.300 0.026 0.000 2.936 362 W HA 0.741 5.404 4.660 0.005 0.000 0.338 362 W C -1.179 175.450 176.519 0.183 0.000 1.121 362 W CA -0.727 56.680 57.345 0.103 0.000 1.209 362 W CB 2.237 31.740 29.460 0.070 0.000 1.420 362 W HN 0.504 nan 8.180 nan 0.000 0.516 363 V N 2.456 122.642 119.914 0.453 0.000 2.823 363 V HA 0.840 4.963 4.120 0.004 0.000 0.312 363 V C -0.527 175.717 176.094 0.250 0.000 1.072 363 V CA -1.119 61.367 62.300 0.309 0.000 0.937 363 V CB 1.662 33.544 31.823 0.099 0.000 1.013 363 V HN 0.686 nan 8.190 nan 0.000 0.430 364 A N 5.935 128.701 122.820 -0.089 0.000 2.451 364 A HA 0.388 4.710 4.320 0.004 0.000 0.266 364 A C 0.305 177.678 177.584 -0.352 0.000 1.119 364 A CA -0.134 51.496 52.037 -0.679 0.000 0.786 364 A CB -0.177 18.059 19.000 -1.274 0.000 1.061 364 A HN 0.807 nan 8.150 nan 0.000 0.503 365 K N 1.885 122.131 120.400 -0.256 0.000 2.436 365 K HA 0.249 4.571 4.320 0.004 0.000 0.282 365 K C 1.168 177.722 176.600 -0.076 0.000 1.044 365 K CA 0.986 57.210 56.287 -0.106 0.000 1.028 365 K CB 0.293 32.761 32.500 -0.054 0.000 0.919 365 K HN 1.378 nan 8.250 nan 0.000 0.474 366 G N 1.820 110.588 108.800 -0.054 0.000 2.203 366 G HA2 -0.326 3.636 3.960 0.004 0.000 0.263 366 G HA3 -0.326 3.636 3.960 0.004 0.000 0.263 366 G C 0.221 175.116 174.900 -0.008 0.000 1.012 366 G CA 0.404 45.491 45.100 -0.022 0.000 0.749 366 G HN 0.809 nan 8.290 nan 0.000 0.512 367 A N -0.364 122.414 122.820 -0.069 0.000 2.322 367 A HA 0.607 4.929 4.320 0.004 0.000 0.269 367 A C 0.398 177.958 177.584 -0.040 0.000 1.094 367 A CA -0.199 51.805 52.037 -0.055 0.000 0.807 367 A CB 0.558 19.312 19.000 -0.410 0.000 1.047 367 A HN 0.272 nan 8.150 nan 0.000 0.487 368 D N 0.675 121.080 120.400 0.008 0.000 2.344 368 D HA 0.380 5.023 4.640 0.004 0.000 0.244 368 D C 0.359 176.645 176.300 -0.023 0.000 1.134 368 D CA 0.478 54.476 54.000 -0.003 0.000 0.930 368 D CB 0.996 41.806 40.800 0.017 0.000 1.175 368 D HN 0.606 nan 8.370 nan 0.000 0.437 369 A N 1.255 124.059 122.820 -0.026 0.000 2.655 369 A HA 0.242 4.565 4.320 0.004 0.000 0.297 369 A C 1.141 178.714 177.584 -0.019 0.000 1.461 369 A CA -0.374 51.644 52.037 -0.031 0.000 1.146 369 A CB -0.687 18.280 19.000 -0.056 0.000 1.108 369 A HN 0.419 nan 8.150 nan 0.000 0.550 370 V N 0.835 120.749 119.914 -0.000 0.000 3.661 370 V HA 0.320 4.442 4.120 0.004 0.000 0.271 370 V C 0.431 176.540 176.094 0.026 0.000 1.315 370 V CA -0.012 62.298 62.300 0.017 0.000 1.072 370 V CB -0.383 31.465 31.823 0.041 0.000 0.830 370 V HN 0.532 nan 8.190 nan 0.000 0.443 371 I N 4.081 124.676 120.570 0.042 0.000 2.342 371 I HA 0.463 4.635 4.170 0.004 0.000 0.291 371 I C -2.282 173.904 176.117 0.116 0.000 1.010 371 I CA -2.498 58.844 61.300 0.071 0.000 1.308 371 I CB 0.999 39.051 38.000 0.087 0.000 1.400 371 I HN 0.152 nan 8.210 nan 0.000 0.488 372 P HA 0.124 nan 4.420 nan 0.000 0.274 372 P C -0.669 176.844 177.300 0.355 0.000 1.237 372 P CA -0.293 62.916 63.100 0.182 0.000 0.793 372 P CB 0.997 32.799 31.700 0.169 0.000 0.977 373 D N -0.193 120.356 120.400 0.248 0.000 2.304 373 D HA 0.336 4.979 4.640 0.004 0.000 0.247 373 D C 1.238 177.532 176.300 -0.010 0.000 1.089 373 D CA -0.371 53.765 54.000 0.227 0.000 0.910 373 D CB 0.777 41.671 40.800 0.157 0.000 1.199 373 D HN 0.276 nan 8.370 nan 0.000 0.426 374 A N 2.524 125.099 122.820 -0.408 0.000 2.066 374 A HA 0.011 4.333 4.320 0.004 0.000 0.218 374 A C 1.069 177.910 177.584 -1.237 0.000 1.157 374 A CA 0.925 52.142 52.037 -1.365 0.000 0.670 374 A CB -0.323 17.881 19.000 -1.327 0.000 0.804 374 A HN 0.651 nan 8.150 nan 0.000 0.453 375 F N -1.776 118.024 119.950 -0.251 0.000 2.815 375 F HA 0.245 4.775 4.527 0.004 0.000 0.328 375 F C 0.142 175.892 175.800 -0.084 0.000 0.982 375 F CA -0.510 57.393 58.000 -0.161 0.000 1.154 375 F CB 0.753 39.654 39.000 -0.165 0.000 0.980 375 F HN 0.035 nan 8.300 nan 0.000 0.603 376 D N 1.496 121.948 120.400 0.087 0.000 2.414 376 D HA 0.275 4.918 4.640 0.004 0.000 0.232 376 D C -2.151 174.161 176.300 0.019 0.000 1.070 376 D CA -2.366 51.663 54.000 0.049 0.000 0.839 376 D CB 2.082 42.910 40.800 0.046 0.000 1.079 376 D HN -0.101 nan 8.370 nan 0.000 0.521 377 P HA -0.106 nan 4.420 nan 0.000 0.220 377 P C 1.185 178.480 177.300 -0.007 0.000 1.148 377 P CA 0.846 63.949 63.100 0.005 0.000 0.803 377 P CB 0.197 31.900 31.700 0.005 0.000 0.782 378 S N -2.034 113.659 115.700 -0.012 0.000 2.561 378 S HA 0.046 4.518 4.470 0.004 0.000 0.225 378 S C 0.754 175.325 174.600 -0.049 0.000 0.977 378 S CA 0.129 58.315 58.200 -0.024 0.000 0.926 378 S CB -0.626 62.563 63.200 -0.018 0.000 0.769 378 S HN 0.085 nan 8.310 nan 0.000 0.533 379 K N 0.951 121.312 120.400 -0.065 0.000 2.156 379 K HA 0.565 4.888 4.320 0.004 0.000 0.254 379 K C -0.541 175.916 176.600 -0.238 0.000 0.950 379 K CA -0.777 55.418 56.287 -0.153 0.000 0.849 379 K CB 1.230 33.642 32.500 -0.148 0.000 1.100 379 K HN 0.024 nan 8.250 nan 0.000 0.434 380 K N 1.531 121.708 120.400 -0.371 0.000 2.480 380 K HA 0.460 4.782 4.320 0.004 0.000 0.258 380 K C -0.909 175.355 176.600 -0.560 0.000 0.990 380 K CA -0.874 55.201 56.287 -0.354 0.000 0.857 380 K CB 2.046 34.460 32.500 -0.143 0.000 1.384 380 K HN 0.621 nan 8.250 nan 0.000 0.446 381 H N 0.706 119.771 119.070 -0.008 0.000 2.895 381 H HA 0.358 4.917 4.556 0.004 0.000 0.373 381 H C -0.177 175.126 175.328 -0.041 0.000 1.174 381 H CA -0.764 55.269 56.048 -0.025 0.000 1.144 381 H CB 1.817 31.563 29.762 -0.026 0.000 1.793 381 H HN 0.286 nan 8.280 nan 0.000 0.551 382 R N 1.344 121.885 120.500 0.069 0.000 2.582 382 R HA 0.217 4.560 4.340 0.004 0.000 0.271 382 R C -2.301 173.979 176.300 -0.033 0.000 1.078 382 R CA -1.570 54.510 56.100 -0.032 0.000 1.127 382 R CB -0.092 30.165 30.300 -0.073 0.000 1.038 382 R HN 0.294 nan 8.270 nan 0.000 0.500 383 P HA -0.003 nan 4.420 nan 0.000 0.266 383 P C -0.656 176.723 177.300 0.133 0.000 1.195 383 P CA 0.232 63.317 63.100 -0.025 0.000 0.768 383 P CB 0.730 32.347 31.700 -0.138 0.000 0.838 384 T N -0.313 114.323 114.554 0.135 0.000 2.883 384 T HA 0.832 5.184 4.350 0.004 0.000 0.296 384 T C -0.649 174.002 174.700 -0.081 0.000 1.117 384 T CA -0.835 61.335 62.100 0.116 0.000 1.006 384 T CB 1.254 70.092 68.868 -0.050 0.000 1.191 384 T HN 0.145 nan 8.240 nan 0.000 0.508 385 M N 1.469 120.992 119.600 -0.128 0.000 2.569 385 M HA 0.461 4.944 4.480 0.004 0.000 0.279 385 M C -1.265 175.060 176.300 0.041 0.000 1.253 385 M CA -0.672 54.509 55.300 -0.200 0.000 0.867 385 M CB 2.325 34.457 32.600 -0.780 0.000 1.727 385 M HN 0.694 nan 8.290 nan 0.000 0.467 386 L N 0.544 121.862 121.223 0.159 0.000 2.421 386 L HA 0.385 4.728 4.340 0.004 0.000 0.263 386 L C 1.527 178.491 176.870 0.158 0.000 1.122 386 L CA -0.301 54.684 54.840 0.241 0.000 0.804 386 L CB 0.537 42.775 42.059 0.298 0.000 1.150 386 L HN 0.774 nan 8.230 nan 0.000 0.457 387 T N -0.702 114.024 114.554 0.287 0.000 2.699 387 T HA -0.204 4.149 4.350 0.004 0.000 0.268 387 T C 1.745 176.451 174.700 0.010 0.000 1.036 387 T CA 2.243 64.430 62.100 0.144 0.000 1.147 387 T CB -0.302 68.758 68.868 0.319 0.000 0.862 387 T HN 0.928 nan 8.240 nan 0.000 0.446 388 T N 0.231 114.844 114.554 0.099 0.000 2.995 388 T HA -0.062 4.290 4.350 0.004 0.000 0.269 388 T C 1.432 176.141 174.700 0.014 0.000 1.091 388 T CA 0.855 63.000 62.100 0.076 0.000 1.128 388 T CB -0.209 68.744 68.868 0.141 0.000 0.891 388 T HN 0.266 nan 8.240 nan 0.000 0.492 389 D N 1.781 122.204 120.400 0.038 0.000 2.123 389 D HA 0.053 4.696 4.640 0.004 0.000 0.200 389 D C 2.125 178.329 176.300 -0.159 0.000 0.976 389 D CA 0.773 54.783 54.000 0.018 0.000 0.831 389 D CB -0.205 40.663 40.800 0.114 0.000 0.974 389 D HN 0.385 nan 8.370 nan 0.000 0.469 390 L N 1.049 122.108 121.223 -0.273 0.000 2.275 390 L HA -0.101 4.242 4.340 0.004 0.000 0.215 390 L C 2.367 179.192 176.870 -0.074 0.000 1.119 390 L CA 0.469 55.132 54.840 -0.295 0.000 0.790 390 L CB -0.400 41.380 42.059 -0.465 0.000 0.919 390 L HN -0.088 nan 8.230 nan 0.000 0.443 391 S N 0.557 116.235 115.700 -0.037 0.000 2.402 391 S HA -0.152 4.321 4.470 0.004 0.000 0.233 391 S C 1.930 176.581 174.600 0.086 0.000 1.030 391 S CA 1.199 59.441 58.200 0.069 0.000 1.003 391 S CB -0.302 62.957 63.200 0.098 0.000 0.813 391 S HN 0.391 nan 8.310 nan 0.000 0.477 392 L N 0.504 121.690 121.223 -0.061 0.000 2.275 392 L HA -0.009 4.333 4.340 0.004 0.000 0.215 392 L C 2.592 179.401 176.870 -0.102 0.000 1.119 392 L CA 1.051 55.840 54.840 -0.085 0.000 0.790 392 L CB -0.351 41.655 42.059 -0.087 0.000 0.919 392 L HN 0.265 nan 8.230 nan 0.000 0.443 393 R N -0.268 120.056 120.500 -0.295 0.000 2.146 393 R HA 0.026 4.369 4.340 0.004 0.000 0.206 393 R C 1.906 177.894 176.300 -0.519 0.000 1.049 393 R CA 0.636 56.403 56.100 -0.557 0.000 1.029 393 R CB 0.024 29.706 30.300 -1.031 0.000 0.949 393 R HN 0.136 nan 8.270 nan 0.000 0.471 394 F N 0.926 120.835 119.950 -0.068 0.000 2.754 394 F HA 0.166 4.696 4.527 0.004 0.000 0.297 394 F C 0.685 176.473 175.800 -0.019 0.000 1.122 394 F CA -0.214 57.760 58.000 -0.045 0.000 1.400 394 F CB 0.271 39.215 39.000 -0.093 0.000 1.117 394 F HN 0.009 nan 8.300 nan 0.000 0.587 395 D N 1.783 122.257 120.400 0.125 0.000 2.348 395 D HA 0.048 4.690 4.640 0.004 0.000 0.253 395 D C -1.942 174.355 176.300 -0.004 0.000 1.161 395 D CA -1.638 52.384 54.000 0.036 0.000 0.876 395 D CB 1.766 42.555 40.800 -0.019 0.000 1.160 395 D HN -0.022 nan 8.370 nan 0.000 0.459 396 P HA -0.149 nan 4.420 nan 0.000 0.216 396 P C 0.932 178.199 177.300 -0.053 0.000 1.153 396 P CA 1.502 64.585 63.100 -0.028 0.000 0.858 396 P CB 0.205 31.888 31.700 -0.029 0.000 0.789 397 A N -1.801 120.949 122.820 -0.116 0.000 1.897 397 A HA -0.181 4.141 4.320 0.004 0.000 0.215 397 A C 2.179 179.729 177.584 -0.057 0.000 1.181 397 A CA 1.247 53.208 52.037 -0.127 0.000 0.620 397 A CB -1.792 17.083 19.000 -0.208 0.000 0.821 397 A HN 0.192 nan 8.150 nan 0.000 0.443 398 Y N -0.589 119.665 120.300 -0.076 0.000 2.200 398 Y HA -0.193 4.360 4.550 0.004 0.000 0.290 398 Y C 2.704 178.540 175.900 -0.107 0.000 1.137 398 Y CA 0.887 58.926 58.100 -0.100 0.000 1.163 398 Y CB 0.015 38.421 38.460 -0.090 0.000 0.988 398 Y HN 0.356 nan 8.280 nan 0.000 0.518 399 E N 1.464 121.714 120.200 0.083 0.000 2.097 399 E HA -0.238 4.114 4.350 0.004 0.000 0.196 399 E C 1.697 178.305 176.600 0.013 0.000 1.000 399 E CA 1.510 57.944 56.400 0.057 0.000 0.804 399 E CB -0.040 29.680 29.700 0.033 0.000 0.740 399 E HN 0.500 nan 8.360 nan 0.000 0.454 400 K N -0.025 120.349 120.400 -0.043 0.000 2.057 400 K HA -0.075 4.248 4.320 0.004 0.000 0.206 400 K C 2.400 178.891 176.600 -0.181 0.000 1.050 400 K CA 1.344 57.571 56.287 -0.099 0.000 0.935 400 K CB -0.128 32.322 32.500 -0.084 0.000 0.715 400 K HN 0.182 nan 8.250 nan 0.000 0.439 401 I N 0.903 121.342 120.570 -0.217 0.000 2.142 401 I HA -0.285 3.888 4.170 0.004 0.000 0.240 401 I C 2.245 177.963 176.117 -0.666 0.000 1.078 401 I CA 1.132 62.153 61.300 -0.465 0.000 1.343 401 I CB -0.353 37.399 38.000 -0.413 0.000 1.046 401 I HN 0.050 nan 8.210 nan 0.000 0.405 402 S N 0.442 115.889 115.700 -0.421 0.000 2.365 402 S HA -0.273 4.200 4.470 0.004 0.000 0.225 402 S C 2.067 176.367 174.600 -0.500 0.000 1.039 402 S CA 1.785 59.651 58.200 -0.556 0.000 1.033 402 S CB -0.465 62.677 63.200 -0.097 0.000 0.887 402 S HN 0.386 nan 8.310 nan 0.000 0.447 403 R N 1.270 121.616 120.500 -0.258 0.000 2.081 403 R HA -0.030 4.312 4.340 0.004 0.000 0.235 403 R C 2.459 178.587 176.300 -0.287 0.000 1.131 403 R CA 1.419 57.282 56.100 -0.395 0.000 0.960 403 R CB -0.215 29.852 30.300 -0.389 0.000 0.856 403 R HN 0.272 nan 8.270 nan 0.000 0.436 404 R N -0.281 120.057 120.500 -0.269 0.000 2.083 404 R HA -0.151 4.191 4.340 0.004 0.000 0.237 404 R C 2.128 178.415 176.300 -0.021 0.000 1.137 404 R CA 2.164 58.164 56.100 -0.167 0.000 0.951 404 R CB -0.388 29.793 30.300 -0.198 0.000 0.851 404 R HN 0.322 nan 8.270 nan 0.000 0.434 405 F N -1.236 118.559 119.950 -0.259 0.000 2.171 405 F HA -0.235 4.295 4.527 0.004 0.000 0.300 405 F C 2.556 178.219 175.800 -0.229 0.000 1.090 405 F CA 0.728 58.574 58.000 -0.257 0.000 1.293 405 F CB -0.256 38.434 39.000 -0.518 0.000 1.013 405 F HN 0.307 nan 8.300 nan 0.000 0.486 406 H N 0.798 119.689 119.070 -0.298 0.000 2.353 406 H HA -0.124 4.435 4.556 0.004 0.000 0.300 406 H C 1.763 177.038 175.328 -0.088 0.000 1.090 406 H CA 1.939 57.901 56.048 -0.143 0.000 1.327 406 H CB -0.198 29.431 29.762 -0.222 0.000 1.383 406 H HN 0.275 nan 8.280 nan 0.000 0.508 407 E N -0.620 119.476 120.200 -0.174 0.000 2.299 407 E HA 0.024 4.376 4.350 0.004 0.000 0.193 407 E C -0.081 176.465 176.600 -0.090 0.000 0.998 407 E CA 0.345 56.617 56.400 -0.213 0.000 0.851 407 E CB 0.357 29.942 29.700 -0.193 0.000 0.795 407 E HN 0.417 nan 8.360 nan 0.000 0.492 408 N N 0.993 119.692 118.700 -0.002 0.000 2.791 408 N HA 0.124 4.866 4.740 0.004 0.000 0.265 408 N C -2.395 173.179 175.510 0.107 0.000 1.580 408 N CA -0.983 52.099 53.050 0.053 0.000 0.809 408 N CB 1.459 40.000 38.487 0.089 0.000 1.178 408 N HN -0.024 nan 8.380 nan 0.000 0.499 409 P HA -0.136 nan 4.420 nan 0.000 0.225 409 P C 1.536 178.925 177.300 0.148 0.000 1.148 409 P CA 1.002 64.108 63.100 0.009 0.000 0.779 409 P CB 0.434 31.741 31.700 -0.655 0.000 0.780 410 E N 0.796 121.072 120.200 0.126 0.000 2.072 410 E HA -0.210 4.143 4.350 0.004 0.000 0.190 410 E C 1.727 178.406 176.600 0.133 0.000 0.982 410 E CA 1.255 57.741 56.400 0.143 0.000 0.803 410 E CB -1.075 28.691 29.700 0.111 0.000 0.755 410 E HN 0.316 nan 8.360 nan 0.000 0.453 411 Q N -0.346 119.545 119.800 0.151 0.000 2.135 411 Q HA -0.125 4.217 4.340 0.004 0.000 0.204 411 Q C 2.050 178.090 176.000 0.066 0.000 0.981 411 Q CA 1.592 57.499 55.803 0.173 0.000 0.856 411 Q CB -0.368 28.534 28.738 0.274 0.000 0.902 411 Q HN 0.285 nan 8.270 nan 0.000 0.425 412 F N 1.284 121.088 119.950 -0.243 0.000 2.075 412 F HA -0.150 4.379 4.527 0.004 0.000 0.297 412 F C 2.152 177.888 175.800 -0.107 0.000 1.113 412 F CA 1.385 58.976 58.000 -0.681 0.000 1.218 412 F CB -0.847 37.966 39.000 -0.312 0.000 0.984 412 F HN -0.011 nan 8.300 nan 0.000 0.472 413 A N -0.163 122.656 122.820 -0.001 0.000 1.908 413 A HA -0.262 4.061 4.320 0.004 0.000 0.218 413 A C 2.005 179.623 177.584 0.057 0.000 1.181 413 A CA 2.148 54.225 52.037 0.066 0.000 0.627 413 A CB -1.342 17.756 19.000 0.163 0.000 0.818 413 A HN 0.506 nan 8.150 nan 0.000 0.445 414 D N -0.520 119.903 120.400 0.039 0.000 2.144 414 D HA 0.017 4.659 4.640 0.004 0.000 0.200 414 D C 2.022 178.363 176.300 0.070 0.000 0.978 414 D CA 1.505 55.533 54.000 0.047 0.000 0.833 414 D CB -0.199 40.641 40.800 0.066 0.000 0.961 414 D HN 0.332 nan 8.370 nan 0.000 0.470 415 A N -0.400 122.468 122.820 0.080 0.000 1.930 415 A HA -0.072 4.250 4.320 0.004 0.000 0.217 415 A C 2.275 179.982 177.584 0.205 0.000 1.175 415 A CA 0.954 53.074 52.037 0.139 0.000 0.627 415 A CB -1.183 17.933 19.000 0.194 0.000 0.815 415 A HN 0.464 nan 8.150 nan 0.000 0.443 416 F N 0.739 120.686 119.950 -0.005 0.000 2.134 416 F HA -0.093 4.437 4.527 0.004 0.000 0.299 416 F C 2.527 178.421 175.800 0.158 0.000 1.097 416 F CA 1.086 59.090 58.000 0.008 0.000 1.264 416 F CB -0.062 38.788 39.000 -0.250 0.000 1.001 416 F HN 0.293 nan 8.300 nan 0.000 0.479 417 A N 0.992 123.895 122.820 0.139 0.000 1.877 417 A HA -0.216 4.107 4.320 0.004 0.000 0.216 417 A C 2.160 179.802 177.584 0.095 0.000 1.186 417 A CA 1.803 53.920 52.037 0.133 0.000 0.620 417 A CB -0.781 18.274 19.000 0.093 0.000 0.822 417 A HN 0.468 nan 8.150 nan 0.000 0.443 418 R N -0.644 119.823 120.500 -0.056 0.000 2.096 418 R HA -0.046 4.297 4.340 0.004 0.000 0.235 418 R C 2.367 178.695 176.300 0.047 0.000 1.127 418 R CA 1.233 57.207 56.100 -0.210 0.000 0.968 418 R CB -0.382 29.763 30.300 -0.257 0.000 0.861 418 R HN 0.517 nan 8.270 nan 0.000 0.440 419 A N 0.533 123.430 122.820 0.128 0.000 1.970 419 A HA -0.131 4.192 4.320 0.004 0.000 0.216 419 A C 1.812 179.496 177.584 0.167 0.000 1.170 419 A CA 0.419 52.541 52.037 0.143 0.000 0.645 419 A CB -0.725 18.407 19.000 0.221 0.000 0.816 419 A HN 0.573 nan 8.150 nan 0.000 0.447 420 W N -0.166 121.142 121.300 0.014 0.000 2.355 420 W HA -0.249 4.414 4.660 0.004 0.000 0.309 420 W C 1.780 178.370 176.519 0.118 0.000 1.206 420 W CA 1.894 59.238 57.345 -0.002 0.000 1.284 420 W CB -0.499 28.799 29.460 -0.270 0.000 1.145 420 W HN 0.409 nan 8.180 nan 0.000 0.502 421 F N 2.061 122.081 119.950 0.117 0.000 2.102 421 F HA -0.203 4.326 4.527 0.003 0.000 0.298 421 F C 2.628 178.480 175.800 0.086 0.000 1.105 421 F CA 2.800 60.888 58.000 0.147 0.000 1.239 421 F CB -0.853 38.289 39.000 0.237 0.000 0.991 421 F HN -0.198 nan 8.300 nan 0.000 0.474 422 K N 0.252 120.556 120.400 -0.161 0.000 2.009 422 K HA -0.236 4.087 4.320 0.004 0.000 0.210 422 K C 2.194 178.370 176.600 -0.707 0.000 1.049 422 K CA 1.806 57.649 56.287 -0.740 0.000 0.929 422 K CB -0.716 31.321 32.500 -0.772 0.000 0.714 422 K HN 0.343 nan 8.250 nan 0.000 0.440 423 L N 1.302 122.269 121.223 -0.426 0.000 2.010 423 L HA -0.249 4.094 4.340 0.004 0.000 0.219 423 L C 2.211 178.808 176.870 -0.455 0.000 1.077 423 L CA 2.834 57.468 54.840 -0.343 0.000 0.773 423 L CB -1.026 40.917 42.059 -0.193 0.000 0.892 423 L HN 0.543 nan 8.230 nan 0.000 0.436 424 T N -5.427 108.802 114.554 -0.542 0.000 3.100 424 T HA -0.003 4.349 4.350 0.004 0.000 0.253 424 T C 1.112 175.376 174.700 -0.727 0.000 1.118 424 T CA 1.047 62.790 62.100 -0.594 0.000 1.058 424 T CB -0.482 67.993 68.868 -0.656 0.000 0.953 424 T HN 0.560 nan 8.240 nan 0.000 0.515 425 H N 0.223 118.932 119.070 -0.602 0.000 3.058 425 H HA 0.354 4.913 4.556 0.004 0.000 0.266 425 H C 2.180 177.310 175.328 -0.329 0.000 1.135 425 H CA -0.357 55.381 56.048 -0.516 0.000 1.174 425 H CB 0.300 29.605 29.762 -0.762 0.000 1.581 425 H HN 0.336 nan 8.280 nan 0.000 0.553 426 R N 0.843 121.060 120.500 -0.472 0.000 2.120 426 R HA -0.099 4.244 4.340 0.004 0.000 0.234 426 R C 0.158 176.260 176.300 -0.331 0.000 1.123 426 R CA 1.815 57.590 56.100 -0.542 0.000 0.975 426 R CB -0.240 29.558 30.300 -0.837 0.000 0.866 426 R HN 0.287 nan 8.270 nan 0.000 0.446 427 D N -0.117 120.063 120.400 -0.366 0.000 2.388 427 D HA 0.029 4.671 4.640 0.004 0.000 0.221 427 D C 1.293 177.537 176.300 -0.093 0.000 1.133 427 D CA -0.028 53.846 54.000 -0.210 0.000 0.831 427 D CB 0.134 40.812 40.800 -0.203 0.000 0.962 427 D HN 0.254 nan 8.370 nan 0.000 0.502 428 M N 0.176 119.753 119.600 -0.038 0.000 2.502 428 M HA 0.241 4.723 4.480 0.004 0.000 0.243 428 M C 0.831 177.137 176.300 0.010 0.000 1.130 428 M CA 0.555 55.851 55.300 -0.006 0.000 1.055 428 M CB 0.399 33.006 32.600 0.012 0.000 1.457 428 M HN 0.289 nan 8.290 nan 0.000 0.488 429 G N 1.101 109.916 108.800 0.025 0.000 2.615 429 G HA2 -0.175 3.788 3.960 0.004 0.000 0.218 429 G HA3 -0.175 3.788 3.960 0.004 0.000 0.218 429 G C -2.898 171.948 174.900 -0.090 0.000 1.339 429 G CA -1.231 43.833 45.100 -0.060 0.000 0.884 429 G HN 0.162 nan 8.290 nan 0.000 0.559 430 P HA 0.276 nan 4.420 nan 0.000 0.268 430 P C 0.976 178.045 177.300 -0.385 0.000 1.208 430 P CA -0.107 62.887 63.100 -0.176 0.000 0.777 430 P CB 0.304 31.996 31.700 -0.014 0.000 0.875 431 R N 2.062 122.238 120.500 -0.540 0.000 2.159 431 R HA -0.146 4.197 4.340 0.004 0.000 0.237 431 R C 2.024 178.055 176.300 -0.448 0.000 1.131 431 R CA 1.515 57.086 56.100 -0.881 0.000 0.982 431 R CB -0.895 29.018 30.300 -0.645 0.000 0.868 431 R HN 0.524 nan 8.270 nan 0.000 0.453 432 A N 1.412 124.100 122.820 -0.220 0.000 2.032 432 A HA -0.203 4.120 4.320 0.004 0.000 0.221 432 A C 1.872 179.430 177.584 -0.042 0.000 1.165 432 A CA 1.326 53.316 52.037 -0.078 0.000 0.645 432 A CB -0.352 18.655 19.000 0.012 0.000 0.807 432 A HN 0.277 nan 8.150 nan 0.000 0.453 433 R N -1.944 118.496 120.500 -0.099 0.000 2.275 433 R HA 0.051 4.394 4.340 0.004 0.000 0.199 433 R C -0.478 175.897 176.300 0.125 0.000 0.989 433 R CA -0.091 55.987 56.100 -0.036 0.000 1.016 433 R CB -0.017 30.173 30.300 -0.183 0.000 0.918 433 R HN 0.481 nan 8.270 nan 0.000 0.473 434 Y N 1.545 121.797 120.300 -0.080 0.000 2.402 434 Y HA 0.195 4.748 4.550 0.005 0.000 0.333 434 Y C 0.552 176.423 175.900 -0.050 0.000 1.076 434 Y CA -0.741 57.319 58.100 -0.067 0.000 1.299 434 Y CB 0.163 38.607 38.460 -0.026 0.000 1.197 434 Y HN -0.124 nan 8.280 nan 0.000 0.517 435 L N 2.188 123.434 121.223 0.039 0.000 2.319 435 L HA 0.908 5.251 4.340 0.004 0.000 0.267 435 L C 0.606 177.621 176.870 0.241 0.000 1.011 435 L CA -0.898 54.003 54.840 0.102 0.000 0.818 435 L CB 1.878 43.974 42.059 0.062 0.000 1.316 435 L HN 0.779 nan 8.230 nan 0.000 0.432 436 G N 1.529 110.514 108.800 0.309 0.000 2.631 436 G HA2 -0.109 3.853 3.960 0.004 0.000 0.504 436 G HA3 -0.109 3.853 3.960 0.004 0.000 0.504 436 G C -2.503 172.494 174.900 0.161 0.000 1.306 436 G CA -0.303 44.980 45.100 0.305 0.000 0.897 436 G HN 0.542 nan 8.290 nan 0.000 0.520 437 P HA 0.224 nan 4.420 nan 0.000 0.261 437 P C 0.477 177.814 177.300 0.062 0.000 1.268 437 P CA 0.701 63.839 63.100 0.064 0.000 0.833 437 P CB 0.339 32.056 31.700 0.029 0.000 1.231 438 E N -0.244 120.025 120.200 0.116 0.000 2.558 438 E HA 0.149 4.502 4.350 0.004 0.000 0.205 438 E C -0.190 176.430 176.600 0.034 0.000 1.006 438 E CA -0.260 56.192 56.400 0.087 0.000 0.961 438 E CB 0.949 30.761 29.700 0.187 0.000 1.044 438 E HN 0.015 nan 8.360 nan 0.000 0.465 439 V N 3.615 123.546 119.914 0.027 0.000 2.521 439 V HA 0.073 4.195 4.120 0.004 0.000 0.286 439 V C -2.000 174.027 176.094 -0.112 0.000 1.034 439 V CA -1.287 61.013 62.300 -0.001 0.000 1.045 439 V CB 0.062 31.945 31.823 0.099 0.000 0.974 439 V HN 0.077 nan 8.190 nan 0.000 0.480 440 P HA 0.207 nan 4.420 nan 0.000 0.271 440 P C 0.489 177.664 177.300 -0.208 0.000 1.216 440 P CA -0.112 62.751 63.100 -0.394 0.000 0.771 440 P CB 0.971 32.256 31.700 -0.692 0.000 0.864 441 A N 2.811 125.513 122.820 -0.197 0.000 1.968 441 A HA -0.126 4.196 4.320 0.004 0.000 0.217 441 A C 1.060 178.588 177.584 -0.092 0.000 1.169 441 A CA 0.750 52.716 52.037 -0.118 0.000 0.638 441 A CB -0.766 18.168 19.000 -0.110 0.000 0.812 441 A HN 0.646 nan 8.150 nan 0.000 0.446 442 E N 0.646 120.786 120.200 -0.100 0.000 2.417 442 E HA 0.273 4.625 4.350 0.004 0.000 0.261 442 E C -1.092 175.507 176.600 -0.001 0.000 1.000 442 E CA -0.314 56.077 56.400 -0.016 0.000 0.919 442 E CB 0.524 30.274 29.700 0.082 0.000 0.955 442 E HN 0.136 nan 8.360 nan 0.000 0.455 443 V N 6.751 126.648 119.914 -0.028 0.000 2.461 443 V HA 0.185 4.307 4.120 0.004 0.000 0.275 443 V C 0.193 176.237 176.094 -0.084 0.000 1.047 443 V CA -0.296 61.957 62.300 -0.078 0.000 0.955 443 V CB 0.750 32.521 31.823 -0.087 0.000 0.988 443 V HN 0.555 nan 8.190 nan 0.000 0.471 444 L N 4.818 125.923 121.223 -0.196 0.000 2.317 444 L HA 0.374 4.716 4.340 0.004 0.000 0.281 444 L C 1.016 177.723 176.870 -0.271 0.000 1.024 444 L CA -0.610 54.090 54.840 -0.234 0.000 0.810 444 L CB 1.443 43.266 42.059 -0.393 0.000 1.240 444 L HN 0.476 nan 8.230 nan 0.000 0.427 445 L N 3.657 124.834 121.223 -0.076 0.000 2.081 445 L HA -0.199 4.144 4.340 0.004 0.000 0.212 445 L C 2.105 178.998 176.870 0.039 0.000 1.080 445 L CA 1.926 56.765 54.840 -0.003 0.000 0.754 445 L CB -0.526 41.576 42.059 0.073 0.000 0.893 445 L HN 0.798 nan 8.230 nan 0.000 0.433 446 W N -1.279 120.062 121.300 0.068 0.000 2.525 446 W HA -0.142 4.520 4.660 0.003 0.000 0.259 446 W C 1.398 177.951 176.519 0.056 0.000 1.253 446 W CA 0.329 57.713 57.345 0.065 0.000 1.262 446 W CB -1.074 28.426 29.460 0.067 0.000 1.122 446 W HN 0.310 nan 8.180 nan 0.000 0.607 447 Q N 1.028 120.614 119.800 -0.356 0.000 2.482 447 Q HA -0.066 4.277 4.340 0.004 0.000 0.209 447 Q C -0.333 175.599 176.000 -0.113 0.000 0.961 447 Q CA 0.565 56.147 55.803 -0.369 0.000 0.945 447 Q CB -0.436 27.900 28.738 -0.671 0.000 1.012 447 Q HN 0.077 nan 8.270 nan 0.000 0.515 448 D N 1.256 121.640 120.400 -0.026 0.000 2.735 448 D HA -0.135 4.507 4.640 0.004 0.000 0.235 448 D C -2.422 173.854 176.300 -0.041 0.000 1.175 448 D CA 0.502 54.502 54.000 0.001 0.000 0.683 448 D CB -0.688 40.138 40.800 0.043 0.000 1.008 448 D HN 0.309 nan 8.370 nan 0.000 0.416 449 P HA 0.170 nan 4.420 nan 0.000 0.269 449 P C 0.344 177.611 177.300 -0.056 0.000 1.215 449 P CA -0.121 62.926 63.100 -0.089 0.000 0.780 449 P CB 0.877 32.517 31.700 -0.101 0.000 0.898 450 I N 3.675 124.210 120.570 -0.060 0.000 2.389 450 I HA 0.268 4.440 4.170 0.004 0.000 0.288 450 I C -1.929 174.162 176.117 -0.043 0.000 0.999 450 I CA -2.491 58.785 61.300 -0.040 0.000 1.129 450 I CB 1.469 39.451 38.000 -0.031 0.000 1.288 450 I HN 0.199 nan 8.210 nan 0.000 0.444 451 P HA 0.125 nan 4.420 nan 0.000 0.268 451 P C -0.456 176.824 177.300 -0.033 0.000 1.208 451 P CA -0.353 62.731 63.100 -0.027 0.000 0.777 451 P CB 0.494 32.189 31.700 -0.009 0.000 0.875 452 A N 2.161 124.958 122.820 -0.039 0.000 2.407 452 A HA 0.286 4.609 4.320 0.004 0.000 0.248 452 A C -0.007 177.540 177.584 -0.061 0.000 1.082 452 A CA -0.399 51.606 52.037 -0.052 0.000 0.785 452 A CB 0.024 18.993 19.000 -0.052 0.000 1.020 452 A HN 0.388 nan 8.150 nan 0.000 0.489 453 V N 2.700 122.551 119.914 -0.104 0.000 2.461 453 V HA 0.222 4.345 4.120 0.004 0.000 0.275 453 V C 0.073 176.031 176.094 -0.226 0.000 1.047 453 V CA 0.302 62.479 62.300 -0.206 0.000 0.955 453 V CB 1.181 32.837 31.823 -0.277 0.000 0.988 453 V HN 1.007 nan 8.190 nan 0.000 0.471 454 D N 2.021 122.285 120.400 -0.227 0.000 2.571 454 D HA 0.158 4.801 4.640 0.004 0.000 0.239 454 D C 0.033 176.297 176.300 -0.060 0.000 1.267 454 D CA -0.249 53.686 54.000 -0.109 0.000 0.823 454 D CB -0.025 40.764 40.800 -0.018 0.000 1.056 454 D HN 0.766 nan 8.370 nan 0.000 0.494 455 H N -2.661 116.414 119.070 0.008 0.000 2.946 455 H HA 0.768 5.326 4.556 0.004 0.000 0.365 455 H C -2.998 172.341 175.328 0.019 0.000 1.197 455 H CA -2.221 53.835 56.048 0.014 0.000 1.131 455 H CB -0.172 29.604 29.762 0.022 0.000 1.849 455 H HN -0.333 nan 8.280 nan 0.000 0.555 456 P HA 0.105 nan 4.420 nan 0.000 0.269 456 P C -0.393 177.082 177.300 0.292 0.000 1.209 456 P CA -0.212 62.985 63.100 0.162 0.000 0.776 456 P CB 0.668 32.439 31.700 0.117 0.000 0.876 457 L N 2.803 124.127 121.223 0.169 0.000 2.399 457 L HA 0.395 4.738 4.340 0.004 0.000 0.266 457 L C 1.085 178.058 176.870 0.171 0.000 1.114 457 L CA -1.190 53.761 54.840 0.185 0.000 0.804 457 L CB 0.343 42.453 42.059 0.086 0.000 1.146 457 L HN 0.382 nan 8.230 nan 0.000 0.451 458 I N -1.117 119.567 120.570 0.190 0.000 2.813 458 I HA 0.112 4.284 4.170 0.004 0.000 0.287 458 I C -0.176 176.025 176.117 0.140 0.000 1.196 458 I CA -0.462 60.947 61.300 0.182 0.000 1.421 458 I CB 0.351 38.432 38.000 0.136 0.000 1.365 458 I HN 0.594 nan 8.210 nan 0.000 0.591 459 D N 4.214 124.690 120.400 0.128 0.000 2.595 459 D HA 0.537 5.179 4.640 0.004 0.000 0.268 459 D C 0.889 177.247 176.300 0.098 0.000 1.181 459 D CA -0.267 53.792 54.000 0.098 0.000 1.085 459 D CB 0.737 41.584 40.800 0.080 0.000 1.186 459 D HN 0.576 nan 8.370 nan 0.000 0.621 460 A N -0.388 122.479 122.820 0.079 0.000 1.930 460 A HA 0.130 4.452 4.320 0.004 0.000 0.217 460 A C 2.134 179.753 177.584 0.059 0.000 1.175 460 A CA 2.265 54.345 52.037 0.072 0.000 0.627 460 A CB -1.408 17.627 19.000 0.057 0.000 0.815 460 A HN 0.635 nan 8.150 nan 0.000 0.443 461 A N 0.279 123.136 122.820 0.061 0.000 1.902 461 A HA -0.186 4.136 4.320 0.004 0.000 0.217 461 A C 1.749 179.376 177.584 0.073 0.000 1.181 461 A CA 1.822 53.895 52.037 0.060 0.000 0.623 461 A CB -0.520 18.517 19.000 0.062 0.000 0.818 461 A HN 0.497 nan 8.150 nan 0.000 0.443 462 D N 0.185 120.645 120.400 0.100 0.000 2.117 462 D HA -0.026 4.616 4.640 0.004 0.000 0.198 462 D C 2.225 178.512 176.300 -0.021 0.000 0.982 462 D CA 1.409 55.480 54.000 0.118 0.000 0.828 462 D CB -0.501 40.426 40.800 0.212 0.000 0.967 462 D HN 0.429 nan 8.370 nan 0.000 0.464 463 A N 1.318 124.132 122.820 -0.010 0.000 1.940 463 A HA -0.070 4.252 4.320 0.004 0.000 0.219 463 A C 2.333 179.863 177.584 -0.090 0.000 1.176 463 A CA 2.182 54.172 52.037 -0.078 0.000 0.631 463 A CB -0.588 18.419 19.000 0.011 0.000 0.814 463 A HN 0.249 nan 8.150 nan 0.000 0.446 464 A N -0.402 122.400 122.820 -0.030 0.000 1.898 464 A HA -0.133 4.189 4.320 0.004 0.000 0.216 464 A C 2.034 179.603 177.584 -0.026 0.000 1.181 464 A CA 1.680 53.703 52.037 -0.023 0.000 0.620 464 A CB -0.520 18.483 19.000 0.005 0.000 0.819 464 A HN 0.679 nan 8.150 nan 0.000 0.442 465 E N -0.048 120.148 120.200 -0.007 0.000 2.058 465 E HA -0.188 4.164 4.350 0.004 0.000 0.194 465 E C 1.923 178.501 176.600 -0.036 0.000 0.997 465 E CA 1.282 57.688 56.400 0.010 0.000 0.801 465 E CB -0.229 29.519 29.700 0.080 0.000 0.746 465 E HN 0.605 nan 8.360 nan 0.000 0.450 466 L N 0.531 121.682 121.223 -0.120 0.000 2.056 466 L HA -0.167 4.175 4.340 0.004 0.000 0.207 466 L C 2.682 179.468 176.870 -0.139 0.000 1.078 466 L CA 1.278 56.005 54.840 -0.188 0.000 0.749 466 L CB -0.285 41.560 42.059 -0.356 0.000 0.901 466 L HN 0.078 nan 8.230 nan 0.000 0.433 467 K N -0.015 120.303 120.400 -0.136 0.000 2.063 467 K HA -0.187 4.136 4.320 0.004 0.000 0.208 467 K C 2.220 178.782 176.600 -0.063 0.000 1.048 467 K CA 1.440 57.664 56.287 -0.104 0.000 0.928 467 K CB -0.308 32.133 32.500 -0.098 0.000 0.713 467 K HN 0.296 nan 8.250 nan 0.000 0.442 468 A N 1.869 124.662 122.820 -0.045 0.000 1.908 468 A HA -0.226 4.096 4.320 0.004 0.000 0.218 468 A C 1.951 179.523 177.584 -0.021 0.000 1.181 468 A CA 1.728 53.750 52.037 -0.025 0.000 0.627 468 A CB -0.327 18.667 19.000 -0.010 0.000 0.818 468 A HN 0.210 nan 8.150 nan 0.000 0.445 469 K N -0.609 119.777 120.400 -0.024 0.000 2.097 469 K HA -0.018 4.305 4.320 0.004 0.000 0.205 469 K C 1.852 178.439 176.600 -0.022 0.000 1.050 469 K CA 1.172 57.450 56.287 -0.015 0.000 0.938 469 K CB -0.311 32.187 32.500 -0.004 0.000 0.718 469 K HN 0.280 nan 8.250 nan 0.000 0.442 470 V N 1.917 121.807 119.914 -0.040 0.000 2.287 470 V HA -0.280 3.842 4.120 0.004 0.000 0.248 470 V C 2.179 178.259 176.094 -0.025 0.000 1.053 470 V CA 1.756 64.034 62.300 -0.037 0.000 1.027 470 V CB -0.443 31.347 31.823 -0.054 0.000 0.646 470 V HN 0.282 nan 8.190 nan 0.000 0.447 471 L N 0.153 121.360 121.223 -0.026 0.000 2.046 471 L HA -0.143 4.199 4.340 0.004 0.000 0.208 471 L C 2.580 179.444 176.870 -0.011 0.000 1.077 471 L CA 1.583 56.412 54.840 -0.018 0.000 0.747 471 L CB -0.777 41.270 42.059 -0.020 0.000 0.896 471 L HN 0.362 nan 8.230 nan 0.000 0.432 472 A N -0.214 122.601 122.820 -0.009 0.000 2.216 472 A HA -0.122 4.201 4.320 0.004 0.000 0.214 472 A C 2.379 179.962 177.584 -0.002 0.000 1.160 472 A CA 1.401 53.436 52.037 -0.004 0.000 0.725 472 A CB -0.480 18.520 19.000 -0.001 0.000 0.784 472 A HN 0.528 nan 8.150 nan 0.000 0.472 473 S N -2.311 113.386 115.700 -0.004 0.000 2.527 473 S HA 0.360 4.832 4.470 0.004 0.000 0.222 473 S C 1.476 176.076 174.600 -0.000 0.000 0.985 473 S CA 1.052 59.251 58.200 -0.002 0.000 0.921 473 S CB -0.135 63.063 63.200 -0.003 0.000 0.772 473 S HN 1.771 nan 8.310 nan 0.000 0.529 474 G N 0.719 109.518 108.800 -0.002 0.000 2.176 474 G HA2 -0.196 3.766 3.960 0.004 0.000 0.232 474 G HA3 -0.196 3.766 3.960 0.004 0.000 0.232 474 G C -0.074 174.826 174.900 -0.000 0.000 0.986 474 G CA -0.031 45.069 45.100 -0.000 0.000 0.643 474 G HN 0.503 nan 8.290 nan 0.000 0.522 475 L N 2.461 123.683 121.223 -0.001 0.000 2.455 475 L HA 0.441 4.783 4.340 0.004 0.000 0.272 475 L C 1.607 178.476 176.870 -0.002 0.000 1.174 475 L CA 0.398 55.239 54.840 0.001 0.000 0.869 475 L CB 0.765 42.825 42.059 0.001 0.000 1.130 475 L HN 0.432 nan 8.230 nan 0.000 0.474 476 T N -0.525 114.029 114.554 0.000 0.000 2.874 476 T HA 0.232 4.584 4.350 0.004 0.000 0.281 476 T C 1.325 176.020 174.700 -0.009 0.000 0.994 476 T CA -0.954 61.144 62.100 -0.004 0.000 1.015 476 T CB 1.539 70.406 68.868 -0.001 0.000 1.028 476 T HN 0.235 nan 8.240 nan 0.000 0.523 477 V N 1.510 121.411 119.914 -0.021 0.000 2.282 477 V HA -0.204 3.919 4.120 0.004 0.000 0.249 477 V C 3.091 179.167 176.094 -0.029 0.000 1.057 477 V CA 2.593 64.870 62.300 -0.039 0.000 1.032 477 V CB -1.263 30.524 31.823 -0.060 0.000 0.645 477 V HN 1.129 nan 8.190 nan 0.000 0.447 478 S N -0.851 114.837 115.700 -0.020 0.000 2.370 478 S HA -0.320 4.152 4.470 0.004 0.000 0.226 478 S C 2.025 176.639 174.600 0.024 0.000 1.033 478 S CA 2.220 60.417 58.200 -0.005 0.000 1.011 478 S CB -0.328 62.868 63.200 -0.006 0.000 0.852 478 S HN 0.712 nan 8.310 nan 0.000 0.457 479 Q N 0.204 120.019 119.800 0.025 0.000 2.084 479 Q HA -0.027 4.316 4.340 0.004 0.000 0.202 479 Q C 2.359 178.395 176.000 0.059 0.000 0.978 479 Q CA 1.770 57.596 55.803 0.039 0.000 0.844 479 Q CB -0.310 28.444 28.738 0.026 0.000 0.898 479 Q HN 0.565 nan 8.270 nan 0.000 0.426 480 L N -0.468 120.785 121.223 0.049 0.000 2.044 480 L HA -0.151 4.192 4.340 0.004 0.000 0.205 480 L C 2.354 179.309 176.870 0.141 0.000 1.075 480 L CA 0.694 55.577 54.840 0.071 0.000 0.747 480 L CB -0.512 41.568 42.059 0.035 0.000 0.903 480 L HN 0.075 nan 8.230 nan 0.000 0.435 481 V N -0.653 119.326 119.914 0.108 0.000 2.261 481 V HA -0.266 3.857 4.120 0.004 0.000 0.246 481 V C 2.612 178.904 176.094 0.329 0.000 1.047 481 V CA 2.061 64.471 62.300 0.183 0.000 1.015 481 V CB -0.557 31.247 31.823 -0.031 0.000 0.642 481 V HN 0.373 nan 8.190 nan 0.000 0.446 482 S N 0.115 115.941 115.700 0.209 0.000 2.365 482 S HA -0.249 4.223 4.470 0.004 0.000 0.225 482 S C 2.059 176.814 174.600 0.260 0.000 1.039 482 S CA 2.182 60.523 58.200 0.234 0.000 1.033 482 S CB -0.597 62.686 63.200 0.138 0.000 0.887 482 S HN 0.713 nan 8.310 nan 0.000 0.447 483 T N 2.170 116.836 114.554 0.188 0.000 2.821 483 T HA 0.026 4.378 4.350 0.004 0.000 0.267 483 T C 2.135 176.925 174.700 0.149 0.000 1.046 483 T CA 1.162 63.347 62.100 0.141 0.000 1.139 483 T CB -0.453 68.471 68.868 0.092 0.000 0.871 483 T HN 0.475 nan 8.240 nan 0.000 0.454 484 A N 1.183 124.136 122.820 0.222 0.000 1.897 484 A HA -0.049 4.274 4.320 0.004 0.000 0.215 484 A C 2.134 179.785 177.584 0.111 0.000 1.181 484 A CA 0.949 53.092 52.037 0.175 0.000 0.620 484 A CB -1.023 18.169 19.000 0.320 0.000 0.821 484 A HN 0.725 nan 8.150 nan 0.000 0.443 485 W N 1.002 122.376 121.300 0.123 0.000 2.335 485 W HA -0.239 4.423 4.660 0.003 0.000 0.311 485 W C 2.249 178.784 176.519 0.025 0.000 1.213 485 W CA 2.196 59.568 57.345 0.045 0.000 1.274 485 W CB -0.365 29.209 29.460 0.191 0.000 1.148 485 W HN 0.425 nan 8.180 nan 0.000 0.498 486 A N 1.055 123.924 122.820 0.081 0.000 1.908 486 A HA -0.156 4.166 4.320 0.004 0.000 0.218 486 A C 2.182 179.715 177.584 -0.086 0.000 1.181 486 A CA 3.029 55.072 52.037 0.009 0.000 0.627 486 A CB -1.366 17.695 19.000 0.102 0.000 0.818 486 A HN 0.355 nan 8.150 nan 0.000 0.445 487 A N -0.527 122.244 122.820 -0.082 0.000 1.873 487 A HA 0.222 4.545 4.320 0.004 0.000 0.215 487 A C 2.472 179.956 177.584 -0.166 0.000 1.186 487 A CA 2.126 54.105 52.037 -0.097 0.000 0.616 487 A CB -0.926 18.034 19.000 -0.066 0.000 0.823 487 A HN 1.091 nan 8.150 nan 0.000 0.442 488 A N -0.188 122.465 122.820 -0.280 0.000 2.021 488 A HA 0.099 4.422 4.320 0.004 0.000 0.216 488 A C 2.226 179.554 177.584 -0.427 0.000 1.163 488 A CA 1.606 53.435 52.037 -0.346 0.000 0.676 488 A CB -0.610 18.122 19.000 -0.446 0.000 0.818 488 A HN 0.944 nan 8.150 nan 0.000 0.453 489 S N -0.115 115.181 115.700 -0.673 0.000 2.603 489 S HA -0.056 4.416 4.470 0.004 0.000 0.220 489 S C 1.498 175.912 174.600 -0.310 0.000 0.967 489 S CA 1.104 58.831 58.200 -0.788 0.000 0.920 489 S CB -1.016 61.168 63.200 -1.694 0.000 0.773 489 S HN 0.660 nan 8.310 nan 0.000 0.529 490 T N -1.327 113.141 114.554 -0.143 0.000 3.072 490 T HA 0.149 4.502 4.350 0.004 0.000 0.266 490 T C 0.304 175.020 174.700 0.026 0.000 1.127 490 T CA -0.336 61.770 62.100 0.010 0.000 1.107 490 T CB -0.836 68.100 68.868 0.112 0.000 0.910 490 T HN 0.408 nan 8.240 nan 0.000 0.513 491 F N 4.172 124.054 119.950 -0.114 0.000 2.529 491 F HA 0.332 4.860 4.527 0.003 0.000 0.365 491 F C 0.655 176.426 175.800 -0.048 0.000 1.102 491 F CA -0.955 57.004 58.000 -0.069 0.000 1.271 491 F CB 0.610 39.550 39.000 -0.101 0.000 1.120 491 F HN 0.175 nan 8.300 nan 0.000 0.579 492 R N 4.250 124.237 120.500 -0.854 0.000 2.575 492 R HA 0.479 4.822 4.340 0.004 0.000 0.293 492 R C 0.162 175.943 176.300 -0.865 0.000 0.983 492 R CA -0.502 55.240 56.100 -0.597 0.000 0.887 492 R CB 1.239 31.373 30.300 -0.276 0.000 1.184 492 R HN 0.770 nan 8.270 nan 0.000 0.445 493 G N 1.116 109.711 108.800 -0.342 0.000 2.650 493 G HA2 -0.204 3.759 3.960 0.004 0.000 0.214 493 G HA3 -0.204 3.759 3.960 0.004 0.000 0.214 493 G C 1.159 176.026 174.900 -0.054 0.000 1.136 493 G CA 0.599 45.663 45.100 -0.059 0.000 0.789 493 G HN 0.755 nan 8.290 nan 0.000 0.536 494 S N 1.738 117.379 115.700 -0.098 0.000 2.348 494 S HA -0.159 4.314 4.470 0.004 0.000 0.221 494 S C 1.656 176.255 174.600 -0.002 0.000 1.033 494 S CA 1.751 59.925 58.200 -0.042 0.000 1.010 494 S CB -0.215 62.949 63.200 -0.061 0.000 0.891 494 S HN 0.443 nan 8.310 nan 0.000 0.442 495 D N -0.193 120.192 120.400 -0.023 0.000 2.469 495 D HA 0.197 4.840 4.640 0.004 0.000 0.215 495 D C 0.108 176.378 176.300 -0.050 0.000 1.154 495 D CA -0.229 53.782 54.000 0.018 0.000 0.832 495 D CB -0.492 40.410 40.800 0.170 0.000 1.008 495 D HN 0.511 nan 8.370 nan 0.000 0.506 496 K N 0.007 120.306 120.400 -0.168 0.000 3.160 496 K HA -0.214 4.109 4.320 0.004 0.000 0.280 496 K C -0.095 176.455 176.600 -0.083 0.000 1.154 496 K CA 0.516 56.715 56.287 -0.146 0.000 0.822 496 K CB -1.322 31.218 32.500 0.067 0.000 1.239 496 K HN 0.315 nan 8.250 nan 0.000 0.489 497 R N 0.249 120.641 120.500 -0.179 0.000 2.549 497 R HA 0.534 4.876 4.340 0.004 0.000 0.267 497 R C 0.949 177.209 176.300 -0.067 0.000 1.045 497 R CA 0.266 56.341 56.100 -0.041 0.000 1.115 497 R CB 1.165 31.474 30.300 0.014 0.000 1.121 497 R HN 0.330 nan 8.270 nan 0.000 0.543 498 G N -0.332 108.508 108.800 0.067 0.000 2.725 498 G HA2 0.185 4.147 3.960 0.004 0.000 0.220 498 G HA3 0.185 4.147 3.960 0.004 0.000 0.220 498 G C -0.004 175.036 174.900 0.233 0.000 1.357 498 G CA -0.424 44.743 45.100 0.112 0.000 0.866 498 G HN 1.148 nan 8.290 nan 0.000 0.548 499 G N -2.689 106.209 108.800 0.163 0.000 2.592 499 G HA2 0.466 4.428 3.960 0.004 0.000 0.684 499 G HA3 0.466 4.428 3.960 0.004 0.000 0.684 499 G C 0.999 175.889 174.900 -0.017 0.000 1.291 499 G CA 1.060 46.200 45.100 0.067 0.000 0.891 499 G HN 2.452 nan 8.290 nan 0.000 0.544 500 A N -0.289 122.484 122.820 -0.079 0.000 2.067 500 A HA 0.256 4.579 4.320 0.004 0.000 0.217 500 A C 1.321 178.878 177.584 -0.045 0.000 1.156 500 A CA 1.626 53.617 52.037 -0.075 0.000 0.683 500 A CB -0.329 18.608 19.000 -0.104 0.000 0.808 500 A HN 1.134 nan 8.150 nan 0.000 0.455 501 N N -0.085 118.591 118.700 -0.039 0.000 2.454 501 N HA 0.312 5.054 4.740 0.004 0.000 0.260 501 N C 1.110 176.614 175.510 -0.010 0.000 1.218 501 N CA 1.554 54.590 53.050 -0.024 0.000 0.904 501 N CB 0.586 39.060 38.487 -0.021 0.000 1.065 501 N HN 0.580 nan 8.380 nan 0.000 0.462 502 G N 2.351 111.145 108.800 -0.010 0.000 2.259 502 G HA2 -0.144 3.819 3.960 0.004 0.000 0.217 502 G HA3 -0.144 3.819 3.960 0.004 0.000 0.217 502 G C 0.420 175.310 174.900 -0.016 0.000 1.001 502 G CA 0.338 45.432 45.100 -0.011 0.000 0.627 502 G HN 1.612 nan 8.290 nan 0.000 0.501 503 A N -0.553 122.255 122.820 -0.020 0.000 2.745 503 A HA -0.266 4.057 4.320 0.004 0.000 0.296 503 A C 1.478 179.035 177.584 -0.046 0.000 1.500 503 A CA 2.326 54.346 52.037 -0.027 0.000 0.766 503 A CB -1.718 17.273 19.000 -0.014 0.000 1.030 503 A HN 1.035 nan 8.150 nan 0.000 0.489 504 R N -0.751 119.714 120.500 -0.058 0.000 2.276 504 R HA 0.145 4.488 4.340 0.004 0.000 0.203 504 R C 1.917 178.130 176.300 -0.143 0.000 1.017 504 R CA 0.950 56.998 56.100 -0.087 0.000 1.010 504 R CB -0.204 30.050 30.300 -0.077 0.000 0.900 504 R HN 0.802 nan 8.270 nan 0.000 0.469 505 I N 2.069 122.562 120.570 -0.129 0.000 2.502 505 I HA -0.311 3.861 4.170 0.004 0.000 0.258 505 I C 2.240 178.278 176.117 -0.131 0.000 1.172 505 I CA 1.377 62.588 61.300 -0.148 0.000 1.430 505 I CB 0.009 37.956 38.000 -0.089 0.000 1.086 505 I HN 0.171 nan 8.210 nan 0.000 0.440 506 R N 0.068 120.510 120.500 -0.097 0.000 2.317 506 R HA 0.157 4.500 4.340 0.004 0.000 0.208 506 R C 0.290 176.540 176.300 -0.084 0.000 0.914 506 R CA -0.008 56.047 56.100 -0.075 0.000 1.060 506 R CB -0.052 30.220 30.300 -0.047 0.000 1.015 506 R HN 0.275 nan 8.270 nan 0.000 0.498 507 L N 0.936 122.092 121.223 -0.113 0.000 2.332 507 L HA 0.576 4.919 4.340 0.004 0.000 0.269 507 L C 0.182 176.964 176.870 -0.147 0.000 1.016 507 L CA -1.422 53.356 54.840 -0.103 0.000 0.809 507 L CB 1.523 43.530 42.059 -0.087 0.000 1.280 507 L HN 0.034 nan 8.230 nan 0.000 0.447 508 A N 1.825 124.580 122.820 -0.108 0.000 2.498 508 A HA 0.299 4.621 4.320 0.004 0.000 0.239 508 A C -1.760 175.739 177.584 -0.142 0.000 1.068 508 A CA -0.743 51.224 52.037 -0.118 0.000 0.766 508 A CB -0.196 18.773 19.000 -0.051 0.000 1.003 508 A HN 0.609 nan 8.150 nan 0.000 0.497 509 P HA 0.002 nan 4.420 nan 0.000 0.257 509 P C 0.723 177.561 177.300 -0.770 0.000 1.241 509 P CA 0.521 63.467 63.100 -0.257 0.000 0.816 509 P CB 0.380 32.083 31.700 0.005 0.000 1.150 510 Q N 1.239 120.451 119.800 -0.981 0.000 2.167 510 Q HA -0.143 4.200 4.340 0.004 0.000 0.202 510 Q C 2.111 177.687 176.000 -0.706 0.000 0.970 510 Q CA 1.511 56.449 55.803 -1.442 0.000 0.855 510 Q CB -0.406 27.746 28.738 -0.976 0.000 0.911 510 Q HN 0.457 nan 8.270 nan 0.000 0.438 511 K N 0.317 120.479 120.400 -0.396 0.000 2.362 511 K HA -0.123 4.199 4.320 0.004 0.000 0.200 511 K C 0.539 177.067 176.600 -0.120 0.000 1.046 511 K CA 1.479 57.647 56.287 -0.198 0.000 0.952 511 K CB 0.231 32.653 32.500 -0.130 0.000 0.753 511 K HN 0.084 nan 8.250 nan 0.000 0.466 512 D N -0.310 120.008 120.400 -0.136 0.000 2.398 512 D HA 0.012 4.655 4.640 0.004 0.000 0.210 512 D C -0.319 176.076 176.300 0.158 0.000 1.094 512 D CA -0.079 53.926 54.000 0.008 0.000 0.839 512 D CB 0.134 40.950 40.800 0.026 0.000 0.963 512 D HN 0.160 nan 8.370 nan 0.000 0.506 513 W N 2.406 123.711 121.300 0.009 0.000 2.216 513 W HA 0.120 4.788 4.660 0.012 0.000 0.326 513 W C 1.782 178.291 176.519 -0.016 0.000 1.319 513 W CA -0.992 56.357 57.345 0.007 0.000 1.213 513 W CB 0.392 29.850 29.460 -0.003 0.000 1.171 513 W HN 0.057 nan 8.180 nan 0.000 0.557 514 E N 2.410 122.737 120.200 0.211 0.000 2.085 514 E HA -0.217 4.136 4.350 0.004 0.000 0.194 514 E C 2.032 178.577 176.600 -0.090 0.000 0.994 514 E CA 1.845 58.304 56.400 0.098 0.000 0.801 514 E CB 0.134 29.938 29.700 0.173 0.000 0.743 514 E HN 0.496 nan 8.360 nan 0.000 0.453 515 A N 0.959 123.598 122.820 -0.303 0.000 2.024 515 A HA -0.173 4.150 4.320 0.004 0.000 0.220 515 A C 1.669 179.145 177.584 -0.179 0.000 1.164 515 A CA 1.484 53.123 52.037 -0.664 0.000 0.643 515 A CB -0.361 18.283 19.000 -0.593 0.000 0.806 515 A HN 0.247 nan 8.150 nan 0.000 0.451 516 N N -0.107 118.601 118.700 0.013 0.000 2.398 516 N HA 0.046 4.789 4.740 0.004 0.000 0.188 516 N C -0.525 175.009 175.510 0.041 0.000 1.122 516 N CA 0.392 53.480 53.050 0.063 0.000 0.866 516 N CB -0.094 38.452 38.487 0.098 0.000 0.970 516 N HN 0.575 nan 8.380 nan 0.000 0.462 517 Q N -1.021 118.794 119.800 0.025 0.000 2.455 517 Q HA -0.153 4.190 4.340 0.004 0.000 0.343 517 Q C -1.877 174.144 176.000 0.034 0.000 1.458 517 Q CA -0.168 55.654 55.803 0.031 0.000 0.923 517 Q CB -1.340 27.418 28.738 0.032 0.000 1.149 517 Q HN 0.267 nan 8.270 nan 0.000 0.357 518 P HA -0.247 nan 4.420 nan 0.000 0.217 518 P C 1.127 178.438 177.300 0.020 0.000 1.151 518 P CA 1.319 64.435 63.100 0.027 0.000 0.849 518 P CB 0.194 31.916 31.700 0.035 0.000 0.787 519 E N -0.689 119.525 120.200 0.024 0.000 2.046 519 E HA -0.191 4.161 4.350 0.004 0.000 0.190 519 E C 2.097 178.708 176.600 0.019 0.000 0.982 519 E CA 0.928 57.340 56.400 0.020 0.000 0.800 519 E CB -0.687 29.027 29.700 0.023 0.000 0.756 519 E HN 0.416 nan 8.360 nan 0.000 0.449 520 Q N 0.629 120.443 119.800 0.023 0.000 2.050 520 Q HA -0.163 4.179 4.340 0.004 0.000 0.202 520 Q C 2.388 178.401 176.000 0.022 0.000 0.980 520 Q CA 0.938 56.755 55.803 0.023 0.000 0.840 520 Q CB -0.104 28.651 28.738 0.028 0.000 0.898 520 Q HN 0.149 nan 8.270 nan 0.000 0.424 521 L N 0.939 122.175 121.223 0.022 0.000 2.013 521 L HA -0.182 4.160 4.340 0.004 0.000 0.212 521 L C 2.277 179.152 176.870 0.008 0.000 1.073 521 L CA 2.381 57.231 54.840 0.016 0.000 0.753 521 L CB -0.969 41.096 42.059 0.010 0.000 0.890 521 L HN 0.245 nan 8.230 nan 0.000 0.432 522 A N -0.473 122.350 122.820 0.005 0.000 1.892 522 A HA -0.213 4.109 4.320 0.004 0.000 0.218 522 A C 2.473 180.060 177.584 0.004 0.000 1.188 522 A CA 2.364 54.402 52.037 0.001 0.000 0.631 522 A CB -1.360 17.642 19.000 0.003 0.000 0.822 522 A HN 0.624 nan 8.150 nan 0.000 0.447 523 A N -0.710 122.115 122.820 0.008 0.000 1.902 523 A HA -0.012 4.311 4.320 0.004 0.000 0.217 523 A C 2.249 179.839 177.584 0.009 0.000 1.181 523 A CA 1.923 53.965 52.037 0.009 0.000 0.623 523 A CB -0.970 18.037 19.000 0.011 0.000 0.818 523 A HN 0.455 nan 8.150 nan 0.000 0.443 524 V N 0.071 119.992 119.914 0.011 0.000 2.295 524 V HA -0.244 3.879 4.120 0.004 0.000 0.246 524 V C 2.526 178.624 176.094 0.007 0.000 1.049 524 V CA 1.911 64.218 62.300 0.012 0.000 1.024 524 V CB -0.806 31.029 31.823 0.021 0.000 0.648 524 V HN 0.563 nan 8.190 nan 0.000 0.447 525 L N -0.233 120.993 121.223 0.004 0.000 2.141 525 L HA -0.167 4.176 4.340 0.004 0.000 0.209 525 L C 2.571 179.440 176.870 -0.001 0.000 1.094 525 L CA 1.625 56.465 54.840 -0.001 0.000 0.763 525 L CB -0.489 41.566 42.059 -0.007 0.000 0.908 525 L HN 0.440 nan 8.230 nan 0.000 0.437 526 E N -0.181 120.019 120.200 0.001 0.000 2.072 526 E HA -0.187 4.165 4.350 0.004 0.000 0.191 526 E C 1.955 178.556 176.600 0.003 0.000 0.985 526 E CA 1.688 58.089 56.400 0.002 0.000 0.801 526 E CB 0.170 29.872 29.700 0.003 0.000 0.750 526 E HN 0.356 nan 8.360 nan 0.000 0.452 527 T N 1.150 115.706 114.554 0.003 0.000 2.777 527 T HA -0.070 4.283 4.350 0.004 0.000 0.266 527 T C 1.844 176.544 174.700 -0.000 0.000 1.040 527 T CA 0.802 62.903 62.100 0.002 0.000 1.141 527 T CB -0.088 68.781 68.868 0.002 0.000 0.868 527 T HN 0.141 nan 8.240 nan 0.000 0.444 528 L N 0.577 121.799 121.223 -0.003 0.000 2.093 528 L HA -0.060 4.282 4.340 0.004 0.000 0.208 528 L C 2.679 179.546 176.870 -0.005 0.000 1.085 528 L CA 1.339 56.174 54.840 -0.009 0.000 0.755 528 L CB -0.520 41.532 42.059 -0.011 0.000 0.904 528 L HN 0.304 nan 8.230 nan 0.000 0.435 529 E N 0.184 120.384 120.200 -0.000 0.000 2.110 529 E HA -0.221 4.131 4.350 0.004 0.000 0.193 529 E C 2.275 178.881 176.600 0.011 0.000 0.988 529 E CA 1.238 57.640 56.400 0.004 0.000 0.804 529 E CB -0.130 29.572 29.700 0.002 0.000 0.745 529 E HN 0.494 nan 8.360 nan 0.000 0.458 530 A N 0.694 123.520 122.820 0.010 0.000 1.930 530 A HA -0.130 4.192 4.320 0.004 0.000 0.217 530 A C 2.121 179.719 177.584 0.024 0.000 1.175 530 A CA 0.898 52.944 52.037 0.015 0.000 0.627 530 A CB -0.410 18.596 19.000 0.011 0.000 0.815 530 A HN 0.136 nan 8.150 nan 0.000 0.443 531 I N -0.914 119.668 120.570 0.019 0.000 2.202 531 I HA -0.236 3.937 4.170 0.004 0.000 0.242 531 I C 2.667 178.818 176.117 0.056 0.000 1.091 531 I CA 1.604 62.921 61.300 0.028 0.000 1.368 531 I CB -0.317 37.682 38.000 -0.003 0.000 1.058 531 I HN 0.393 nan 8.210 nan 0.000 0.410 532 R N 0.715 121.235 120.500 0.034 0.000 2.096 532 R HA -0.203 4.140 4.340 0.004 0.000 0.240 532 R C 2.217 178.579 176.300 0.103 0.000 1.139 532 R CA 2.396 58.532 56.100 0.061 0.000 0.952 532 R CB -0.460 29.855 30.300 0.026 0.000 0.854 532 R HN 0.230 nan 8.270 nan 0.000 0.436 533 T N 0.337 114.927 114.554 0.061 0.000 2.746 533 T HA -0.080 4.273 4.350 0.004 0.000 0.267 533 T C 1.758 176.487 174.700 0.049 0.000 1.039 533 T CA 1.358 63.484 62.100 0.044 0.000 1.142 533 T CB -0.238 68.644 68.868 0.024 0.000 0.866 533 T HN 0.513 nan 8.240 nan 0.000 0.444 534 A N 0.693 123.551 122.820 0.064 0.000 1.897 534 A HA 0.075 4.398 4.320 0.004 0.000 0.215 534 A C 1.981 179.609 177.584 0.072 0.000 1.181 534 A CA 0.957 53.026 52.037 0.053 0.000 0.620 534 A CB -0.858 18.174 19.000 0.053 0.000 0.821 534 A HN 0.467 nan 8.150 nan 0.000 0.443 535 F N 1.631 121.569 119.950 -0.019 0.000 2.075 535 F HA -0.207 4.322 4.527 0.003 0.000 0.297 535 F C 1.966 177.751 175.800 -0.026 0.000 1.113 535 F CA 2.159 60.147 58.000 -0.020 0.000 1.218 535 F CB -0.254 38.733 39.000 -0.021 0.000 0.984 535 F HN 0.203 nan 8.300 nan 0.000 0.472 536 N N 0.441 119.171 118.700 0.050 0.000 2.244 536 N HA -0.084 4.658 4.740 0.004 0.000 0.183 536 N C 2.058 177.495 175.510 -0.122 0.000 1.016 536 N CA 1.300 54.316 53.050 -0.056 0.000 0.866 536 N CB -1.138 37.365 38.487 0.028 0.000 0.980 536 N HN 0.468 nan 8.380 nan 0.000 0.430 537 G N 0.022 108.774 108.800 -0.080 0.000 2.421 537 G HA2 -0.071 3.892 3.960 0.004 0.000 0.217 537 G HA3 -0.071 3.892 3.960 0.004 0.000 0.217 537 G C 1.362 176.198 174.900 -0.107 0.000 1.143 537 G CA 0.780 45.835 45.100 -0.074 0.000 0.784 537 G HN 0.412 nan 8.290 nan 0.000 0.541 538 A N -0.534 122.193 122.820 -0.156 0.000 2.238 538 A HA 0.259 4.582 4.320 0.004 0.000 0.208 538 A C 1.268 178.715 177.584 -0.228 0.000 1.177 538 A CA 0.301 52.236 52.037 -0.170 0.000 0.804 538 A CB -0.013 18.889 19.000 -0.164 0.000 0.823 538 A HN 0.310 nan 8.150 nan 0.000 0.482 539 Q N 0.575 120.207 119.800 -0.280 0.000 2.260 539 Q HA 0.429 4.772 4.340 0.004 0.000 0.242 539 Q C -0.200 175.715 176.000 -0.142 0.000 0.932 539 Q CA -0.026 55.622 55.803 -0.258 0.000 0.891 539 Q CB 0.964 29.515 28.738 -0.313 0.000 1.222 539 Q HN 0.317 nan 8.270 nan 0.000 0.453 540 R N -0.783 119.653 120.500 -0.108 0.000 2.902 540 R HA 0.564 4.907 4.340 0.004 0.000 0.258 540 R C 0.624 176.899 176.300 -0.043 0.000 1.071 540 R CA -0.212 55.850 56.100 -0.064 0.000 1.024 540 R CB 1.131 31.401 30.300 -0.049 0.000 1.184 540 R HN 0.881 nan 8.270 nan 0.000 0.492 541 G N -0.459 108.327 108.800 -0.024 0.000 2.162 541 G HA2 -0.283 3.679 3.960 0.004 0.000 0.260 541 G HA3 -0.283 3.679 3.960 0.004 0.000 0.260 541 G C 0.775 175.680 174.900 0.008 0.000 0.976 541 G CA 0.803 45.900 45.100 -0.005 0.000 0.655 541 G HN 1.264 nan 8.290 nan 0.000 0.533 542 G N -0.641 108.155 108.800 -0.007 0.000 2.148 542 G HA2 -0.287 3.675 3.960 0.004 0.000 0.254 542 G HA3 -0.287 3.675 3.960 0.004 0.000 0.254 542 G C 0.319 175.227 174.900 0.013 0.000 0.981 542 G CA 1.430 46.534 45.100 0.006 0.000 0.670 542 G HN 1.396 nan 8.290 nan 0.000 0.528 543 K N 0.777 121.177 120.400 0.000 0.000 2.401 543 K HA 0.416 4.738 4.320 0.004 0.000 0.278 543 K C 0.620 177.176 176.600 -0.074 0.000 1.018 543 K CA 0.473 56.773 56.287 0.021 0.000 0.981 543 K CB 0.139 32.663 32.500 0.041 0.000 0.933 543 K HN 0.687 nan 8.250 nan 0.000 0.477 544 Q N 1.208 120.903 119.800 -0.174 0.000 2.534 544 Q HA 0.427 4.769 4.340 0.004 0.000 0.290 544 Q C -1.818 174.150 176.000 -0.053 0.000 0.991 544 Q CA -1.143 54.570 55.803 -0.150 0.000 0.783 544 Q CB 1.755 30.305 28.738 -0.312 0.000 1.470 544 Q HN 0.341 nan 8.270 nan 0.000 0.406 545 V N 1.762 121.737 119.914 0.102 0.000 2.483 545 V HA 0.540 4.663 4.120 0.004 0.000 0.295 545 V C -0.310 175.806 176.094 0.038 0.000 1.035 545 V CA -0.019 62.320 62.300 0.064 0.000 0.896 545 V CB 1.823 33.610 31.823 -0.060 0.000 0.986 545 V HN 0.943 nan 8.190 nan 0.000 0.447 546 S N 5.648 121.392 115.700 0.074 0.000 2.603 546 S HA 0.230 4.702 4.470 0.004 0.000 0.268 546 S C 0.841 175.463 174.600 0.038 0.000 1.317 546 S CA -0.321 57.918 58.200 0.065 0.000 1.012 546 S CB 1.336 64.592 63.200 0.093 0.000 0.926 546 S HN 0.789 nan 8.310 nan 0.000 0.539 547 L N 2.088 123.325 121.223 0.024 0.000 2.131 547 L HA 0.059 4.402 4.340 0.004 0.000 0.210 547 L C 2.582 179.462 176.870 0.016 0.000 1.092 547 L CA 2.095 56.942 54.840 0.011 0.000 0.759 547 L CB -1.344 40.717 42.059 0.004 0.000 0.903 547 L HN 0.971 nan 8.230 nan 0.000 0.435 548 A N -0.710 122.124 122.820 0.024 0.000 1.865 548 A HA -0.263 4.059 4.320 0.004 0.000 0.217 548 A C 2.060 179.678 177.584 0.056 0.000 1.191 548 A CA 2.111 54.163 52.037 0.025 0.000 0.623 548 A CB -0.860 18.151 19.000 0.018 0.000 0.826 548 A HN 0.483 nan 8.150 nan 0.000 0.444 549 D N -0.644 119.814 120.400 0.096 0.000 2.097 549 D HA -0.119 4.524 4.640 0.004 0.000 0.195 549 D C 1.862 178.243 176.300 0.136 0.000 0.989 549 D CA 1.276 55.406 54.000 0.217 0.000 0.827 549 D CB -0.436 40.529 40.800 0.275 0.000 0.966 549 D HN 0.293 nan 8.370 nan 0.000 0.456 550 L N 0.993 122.228 121.223 0.021 0.000 2.079 550 L HA -0.115 4.227 4.340 0.004 0.000 0.210 550 L C 2.133 178.971 176.870 -0.053 0.000 1.081 550 L CA 1.207 56.005 54.840 -0.070 0.000 0.752 550 L CB -0.573 41.439 42.059 -0.078 0.000 0.896 550 L HN 0.026 nan 8.230 nan 0.000 0.433 551 I N -1.648 118.918 120.570 -0.007 0.000 2.118 551 I HA -0.362 3.810 4.170 0.004 0.000 0.241 551 I C 2.326 178.464 176.117 0.034 0.000 1.070 551 I CA 1.670 62.977 61.300 0.012 0.000 1.327 551 I CB -0.569 37.438 38.000 0.013 0.000 1.034 551 I HN 0.084 nan 8.210 nan 0.000 0.405 552 V N 0.409 120.358 119.914 0.058 0.000 2.295 552 V HA -0.268 3.854 4.120 0.004 0.000 0.246 552 V C 2.359 178.482 176.094 0.048 0.000 1.049 552 V CA 1.644 64.008 62.300 0.107 0.000 1.024 552 V CB -0.631 31.301 31.823 0.182 0.000 0.648 552 V HN 0.351 nan 8.190 nan 0.000 0.447 553 L N 0.910 121.999 121.223 -0.223 0.000 2.046 553 L HA -0.092 4.251 4.340 0.004 0.000 0.208 553 L C 2.484 179.216 176.870 -0.230 0.000 1.077 553 L CA 2.302 56.800 54.840 -0.571 0.000 0.747 553 L CB -1.093 40.458 42.059 -0.847 0.000 0.896 553 L HN 0.236 nan 8.230 nan 0.000 0.432 554 A N -0.511 122.234 122.820 -0.126 0.000 1.883 554 A HA -0.139 4.184 4.320 0.004 0.000 0.217 554 A C 2.402 180.005 177.584 0.032 0.000 1.186 554 A CA 1.781 53.789 52.037 -0.048 0.000 0.624 554 A CB -1.683 17.301 19.000 -0.027 0.000 0.822 554 A HN 0.525 nan 8.150 nan 0.000 0.444 555 G N -0.736 108.139 108.800 0.125 0.000 2.513 555 G HA2 -0.376 3.586 3.960 0.004 0.000 0.219 555 G HA3 -0.376 3.586 3.960 0.004 0.000 0.219 555 G C 1.621 176.665 174.900 0.240 0.000 1.160 555 G CA 1.452 46.736 45.100 0.306 0.000 0.767 555 G HN 0.547 nan 8.290 nan 0.000 0.571 556 C N 0.812 120.246 119.300 0.222 0.000 2.429 556 C HA 0.157 4.619 4.460 0.004 0.000 0.277 556 C C 3.565 178.559 174.990 0.007 0.000 1.262 556 C CA 0.885 59.987 59.018 0.141 0.000 1.733 556 C CB -1.091 26.716 27.740 0.112 0.000 2.010 556 C HN 0.605 nan 8.230 nan 0.000 0.483 557 A N 0.780 123.583 122.820 -0.029 0.000 1.940 557 A HA 0.025 4.347 4.320 0.004 0.000 0.219 557 A C 2.388 179.944 177.584 -0.047 0.000 1.176 557 A CA 2.163 54.172 52.037 -0.045 0.000 0.631 557 A CB -1.199 17.767 19.000 -0.057 0.000 0.814 557 A HN 0.568 nan 8.150 nan 0.000 0.446 558 G N -0.622 108.151 108.800 -0.046 0.000 2.402 558 G HA2 -0.086 3.877 3.960 0.004 0.000 0.216 558 G HA3 -0.086 3.877 3.960 0.004 0.000 0.216 558 G C 1.501 176.321 174.900 -0.132 0.000 1.162 558 G CA 1.196 46.253 45.100 -0.072 0.000 0.777 558 G HN 0.322 nan 8.290 nan 0.000 0.539 559 V N 0.926 120.719 119.914 -0.202 0.000 2.343 559 V HA -0.194 3.928 4.120 0.004 0.000 0.247 559 V C 2.679 178.689 176.094 -0.141 0.000 1.051 559 V CA 2.242 64.387 62.300 -0.259 0.000 1.036 559 V CB -0.571 30.991 31.823 -0.436 0.000 0.654 559 V HN 0.479 nan 8.190 nan 0.000 0.451 560 E N -0.230 119.920 120.200 -0.084 0.000 2.077 560 E HA -0.306 4.046 4.350 0.004 0.000 0.193 560 E C 2.259 178.837 176.600 -0.037 0.000 0.989 560 E CA 1.447 57.822 56.400 -0.042 0.000 0.800 560 E CB -0.156 29.531 29.700 -0.022 0.000 0.746 560 E HN 0.531 nan 8.360 nan 0.000 0.452 561 Q N 1.024 120.796 119.800 -0.046 0.000 2.046 561 Q HA -0.121 4.222 4.340 0.004 0.000 0.200 561 Q C 2.019 177.992 176.000 -0.045 0.000 0.975 561 Q CA 1.822 57.602 55.803 -0.037 0.000 0.836 561 Q CB -0.425 28.290 28.738 -0.038 0.000 0.896 561 Q HN 0.239 nan 8.270 nan 0.000 0.428 562 A N 0.424 123.199 122.820 -0.076 0.000 1.927 562 A HA -0.217 4.106 4.320 0.004 0.000 0.220 562 A C 2.291 179.831 177.584 -0.074 0.000 1.185 562 A CA 2.385 54.365 52.037 -0.094 0.000 0.639 562 A CB -1.297 17.611 19.000 -0.153 0.000 0.820 562 A HN 0.559 nan 8.150 nan 0.000 0.451 563 A N -0.945 121.836 122.820 -0.064 0.000 1.929 563 A HA -0.080 4.243 4.320 0.004 0.000 0.216 563 A C 2.131 179.740 177.584 0.041 0.000 1.176 563 A CA 1.768 53.784 52.037 -0.035 0.000 0.628 563 A CB -0.390 18.601 19.000 -0.016 0.000 0.816 563 A HN 0.544 nan 8.150 nan 0.000 0.444 564 K N -0.165 120.251 120.400 0.028 0.000 2.026 564 K HA -0.191 4.131 4.320 0.004 0.000 0.208 564 K C 1.581 178.202 176.600 0.036 0.000 1.048 564 K CA 1.550 57.861 56.287 0.039 0.000 0.929 564 K CB -0.229 32.280 32.500 0.016 0.000 0.713 564 K HN 0.386 nan 8.250 nan 0.000 0.439 565 N N 0.659 119.366 118.700 0.013 0.000 2.258 565 N HA -0.171 4.572 4.740 0.004 0.000 0.187 565 N C 1.205 176.732 175.510 0.029 0.000 1.012 565 N CA 1.365 54.421 53.050 0.011 0.000 0.870 565 N CB -0.233 38.248 38.487 -0.010 0.000 0.977 565 N HN 0.272 nan 8.380 nan 0.000 0.434 566 A N -0.626 122.221 122.820 0.046 0.000 2.307 566 A HA 0.470 4.792 4.320 0.004 0.000 0.218 566 A C 1.497 179.204 177.584 0.206 0.000 1.228 566 A CA 0.631 52.722 52.037 0.089 0.000 0.857 566 A CB -0.322 18.694 19.000 0.026 0.000 0.897 566 A HN 0.300 nan 8.150 nan 0.000 0.495 567 G N -1.030 107.858 108.800 0.146 0.000 2.159 567 G HA2 -0.240 3.723 3.960 0.004 0.000 0.256 567 G HA3 -0.240 3.723 3.960 0.004 0.000 0.256 567 G C 0.084 175.032 174.900 0.080 0.000 0.977 567 G CA 0.414 45.576 45.100 0.103 0.000 0.652 567 G HN 0.736 nan 8.290 nan 0.000 0.531 568 H N 0.156 119.234 119.070 0.014 0.000 2.472 568 H HA 0.576 5.135 4.556 0.004 0.000 0.335 568 H C 0.350 175.684 175.328 0.010 0.000 1.136 568 H CA 0.052 56.110 56.048 0.017 0.000 1.264 568 H CB 1.773 31.550 29.762 0.025 0.000 1.486 568 H HN 0.427 nan 8.280 nan 0.000 0.517 569 A N 3.733 126.612 122.820 0.099 0.000 2.280 569 A HA 0.454 4.777 4.320 0.004 0.000 0.320 569 A C -0.454 177.176 177.584 0.077 0.000 1.366 569 A CA -0.489 51.586 52.037 0.064 0.000 0.938 569 A CB -0.004 19.014 19.000 0.029 0.000 1.157 569 A HN 0.385 nan 8.150 nan 0.000 0.536 570 V N 2.071 122.026 119.914 0.069 0.000 2.588 570 V HA 0.503 4.626 4.120 0.004 0.000 0.304 570 V C 0.243 176.361 176.094 0.041 0.000 1.042 570 V CA -0.414 61.921 62.300 0.059 0.000 0.877 570 V CB 2.120 33.976 31.823 0.056 0.000 0.996 570 V HN 0.820 nan 8.190 nan 0.000 0.425 571 T N 3.980 118.560 114.554 0.043 0.000 2.795 571 T HA 0.586 4.938 4.350 0.004 0.000 0.282 571 T C -0.583 174.151 174.700 0.056 0.000 0.980 571 T CA -0.206 61.920 62.100 0.043 0.000 1.012 571 T CB 1.214 70.108 68.868 0.042 0.000 0.936 571 T HN 0.385 nan 8.240 nan 0.000 0.457 572 V N 8.349 128.303 119.914 0.068 0.000 2.394 572 V HA 0.377 4.500 4.120 0.004 0.000 0.282 572 V C -1.904 174.269 176.094 0.133 0.000 1.031 572 V CA -1.823 60.540 62.300 0.105 0.000 0.881 572 V CB 1.128 33.024 31.823 0.121 0.000 0.982 572 V HN 0.777 nan 8.190 nan 0.000 0.451 573 P HA 0.305 nan 4.420 nan 0.000 0.270 573 P C -1.050 176.377 177.300 0.212 0.000 1.223 573 P CA -0.080 63.094 63.100 0.123 0.000 0.785 573 P CB 0.380 32.117 31.700 0.061 0.000 0.923 574 F N 0.564 120.517 119.950 0.005 0.000 2.604 574 F HA 0.600 5.129 4.527 0.003 0.000 0.316 574 F C -1.630 174.155 175.800 -0.024 0.000 1.136 574 F CA -0.871 57.124 58.000 -0.007 0.000 0.989 574 F CB 1.333 40.336 39.000 0.004 0.000 1.258 574 F HN 0.401 nan 8.300 nan 0.000 0.451 575 A N 7.702 129.972 122.820 -0.916 0.000 2.273 575 A HA 0.798 5.120 4.320 0.004 0.000 0.315 575 A C -2.836 174.104 177.584 -1.073 0.000 1.256 575 A CA -1.620 49.973 52.037 -0.738 0.000 0.851 575 A CB 0.455 19.202 19.000 -0.421 0.000 1.172 575 A HN 0.459 nan 8.150 nan 0.000 0.508 576 P HA 0.564 nan 4.420 nan 0.000 0.277 576 P C 0.769 177.932 177.300 -0.228 0.000 1.271 576 P CA 0.782 63.630 63.100 -0.419 0.000 0.795 576 P CB 1.105 32.773 31.700 -0.053 0.000 1.101 577 G N -1.205 107.536 108.800 -0.100 0.000 2.485 577 G HA2 -0.123 3.840 3.960 0.004 0.000 0.181 577 G HA3 -0.123 3.840 3.960 0.004 0.000 0.181 577 G C 0.146 175.012 174.900 -0.056 0.000 0.999 577 G CA -0.541 44.510 45.100 -0.082 0.000 0.721 577 G HN 0.500 nan 8.290 nan 0.000 0.486 578 R N 0.863 121.341 120.500 -0.038 0.000 2.594 578 R HA 0.645 4.988 4.340 0.004 0.000 0.272 578 R C 0.457 176.767 176.300 0.017 0.000 1.074 578 R CA 0.664 56.753 56.100 -0.019 0.000 1.105 578 R CB 0.973 31.266 30.300 -0.011 0.000 1.008 578 R HN 0.470 nan 8.270 nan 0.000 0.472 579 A N 1.518 124.344 122.820 0.010 0.000 2.346 579 A HA 0.395 4.717 4.320 0.004 0.000 0.313 579 A C -1.163 176.433 177.584 0.020 0.000 1.140 579 A CA -0.914 51.141 52.037 0.030 0.000 0.826 579 A CB 1.151 20.162 19.000 0.017 0.000 1.332 579 A HN 0.605 nan 8.150 nan 0.000 0.457 580 D N 1.317 121.733 120.400 0.026 0.000 2.317 580 D HA 0.513 5.156 4.640 0.004 0.000 0.234 580 D C 0.245 176.547 176.300 0.004 0.000 1.112 580 D CA 0.366 54.373 54.000 0.013 0.000 0.840 580 D CB 1.580 42.389 40.800 0.016 0.000 1.078 580 D HN 0.700 nan 8.370 nan 0.000 0.486 581 A N 2.102 124.919 122.820 -0.005 0.000 2.332 581 A HA 0.502 4.824 4.320 0.004 0.000 0.258 581 A C 0.716 178.295 177.584 -0.009 0.000 1.087 581 A CA -0.502 51.529 52.037 -0.009 0.000 0.802 581 A CB 0.438 19.430 19.000 -0.013 0.000 1.042 581 A HN 0.524 nan 8.150 nan 0.000 0.489 582 S N 0.126 115.822 115.700 -0.008 0.000 2.669 582 S HA 0.270 4.743 4.470 0.004 0.000 0.270 582 S C 0.866 175.460 174.600 -0.009 0.000 1.225 582 S CA 0.096 58.292 58.200 -0.007 0.000 0.991 582 S CB 1.099 64.297 63.200 -0.003 0.000 0.987 582 S HN 0.732 nan 8.310 nan 0.000 0.552 583 Q N 0.690 120.485 119.800 -0.009 0.000 2.096 583 Q HA -0.142 4.200 4.340 0.004 0.000 0.204 583 Q C 1.598 177.599 176.000 0.001 0.000 0.982 583 Q CA 2.225 58.023 55.803 -0.009 0.000 0.850 583 Q CB -0.579 28.154 28.738 -0.008 0.000 0.901 583 Q HN 0.880 nan 8.270 nan 0.000 0.422 584 E N -0.110 120.093 120.200 0.005 0.000 2.268 584 E HA -0.140 4.213 4.350 0.004 0.000 0.195 584 E C 1.291 177.898 176.600 0.012 0.000 0.995 584 E CA 0.972 57.378 56.400 0.011 0.000 0.836 584 E CB 0.009 29.716 29.700 0.011 0.000 0.763 584 E HN 0.501 nan 8.360 nan 0.000 0.491 585 Q N -0.153 119.650 119.800 0.005 0.000 2.322 585 Q HA 0.103 4.446 4.340 0.004 0.000 0.203 585 Q C -0.416 175.588 176.000 0.007 0.000 0.923 585 Q CA 0.414 56.217 55.803 0.001 0.000 0.949 585 Q CB 0.592 29.323 28.738 -0.010 0.000 1.039 585 Q HN -0.013 nan 8.270 nan 0.000 0.496 586 T N 0.870 115.432 114.554 0.014 0.000 2.991 586 T HA 0.058 4.410 4.350 0.004 0.000 0.347 586 T C -0.990 173.732 174.700 0.036 0.000 1.122 586 T CA -0.745 61.366 62.100 0.018 0.000 1.062 586 T CB 0.930 69.796 68.868 -0.004 0.000 1.043 586 T HN 0.024 nan 8.240 nan 0.000 0.491 587 D N 3.277 123.714 120.400 0.061 0.000 2.342 587 D HA 0.047 4.690 4.640 0.004 0.000 0.260 587 D C 1.229 177.578 176.300 0.082 0.000 1.278 587 D CA -0.091 53.957 54.000 0.080 0.000 0.910 587 D CB 1.071 41.938 40.800 0.113 0.000 1.079 587 D HN 0.186 nan 8.370 nan 0.000 0.496 588 V N 4.434 124.390 119.914 0.070 0.000 2.515 588 V HA -0.181 3.941 4.120 0.004 0.000 0.250 588 V C 2.360 178.519 176.094 0.109 0.000 1.058 588 V CA 1.445 63.791 62.300 0.076 0.000 1.064 588 V CB -0.360 31.498 31.823 0.058 0.000 0.675 588 V HN 0.596 nan 8.190 nan 0.000 0.461 589 E N -0.152 120.111 120.200 0.104 0.000 2.028 589 E HA -0.211 4.142 4.350 0.004 0.000 0.191 589 E C 2.461 179.134 176.600 0.123 0.000 0.988 589 E CA 1.502 57.968 56.400 0.109 0.000 0.799 589 E CB -0.223 29.535 29.700 0.097 0.000 0.755 589 E HN 0.518 nan 8.360 nan 0.000 0.447 590 S N 0.267 116.043 115.700 0.127 0.000 2.382 590 S HA -0.189 4.284 4.470 0.004 0.000 0.228 590 S C 1.891 176.582 174.600 0.152 0.000 1.027 590 S CA 1.148 59.432 58.200 0.140 0.000 0.991 590 S CB -0.107 63.185 63.200 0.155 0.000 0.823 590 S HN 0.134 nan 8.310 nan 0.000 0.469 591 M N 1.640 121.340 119.600 0.166 0.000 2.476 591 M HA 0.297 4.780 4.480 0.004 0.000 0.262 591 M C 1.803 178.307 176.300 0.339 0.000 1.079 591 M CA 0.857 56.291 55.300 0.222 0.000 1.104 591 M CB -1.012 31.688 32.600 0.165 0.000 1.409 591 M HN 0.369 nan 8.290 nan 0.000 0.467 592 A N -0.533 122.443 122.820 0.260 0.000 1.972 592 A HA -0.097 4.226 4.320 0.004 0.000 0.219 592 A C 2.003 179.636 177.584 0.082 0.000 1.169 592 A CA 1.836 54.011 52.037 0.229 0.000 0.635 592 A CB -1.408 17.685 19.000 0.155 0.000 0.810 592 A HN 0.570 nan 8.150 nan 0.000 0.446 593 V N -2.647 117.307 119.914 0.067 0.000 3.141 593 V HA 0.012 4.134 4.120 0.004 0.000 0.265 593 V C 1.751 177.812 176.094 -0.055 0.000 1.126 593 V CA 1.438 63.731 62.300 -0.011 0.000 1.141 593 V CB -0.731 31.094 31.823 0.002 0.000 0.743 593 V HN 0.454 nan 8.190 nan 0.000 0.492 594 L N 0.158 121.377 121.223 -0.006 0.000 2.529 594 L HA 0.275 4.617 4.340 0.004 0.000 0.223 594 L C 1.329 178.001 176.870 -0.330 0.000 1.113 594 L CA 0.195 55.020 54.840 -0.024 0.000 0.861 594 L CB -0.093 42.076 42.059 0.183 0.000 1.012 594 L HN 0.458 nan 8.230 nan 0.000 0.461 595 E N 3.364 123.109 120.200 -0.759 0.000 2.480 595 E HA 0.023 4.376 4.350 0.004 0.000 0.258 595 E C -2.084 174.116 176.600 -0.667 0.000 0.984 595 E CA -1.561 53.900 56.400 -1.564 0.000 0.930 595 E CB 0.682 29.470 29.700 -1.520 0.000 0.936 595 E HN -0.023 nan 8.360 nan 0.000 0.466 596 P HA -0.029 nan 4.420 nan 0.000 0.276 596 P C 0.494 177.808 177.300 0.024 0.000 1.253 596 P CA -0.102 62.926 63.100 -0.121 0.000 0.766 596 P CB 1.264 32.980 31.700 0.028 0.000 0.845 597 V N 0.797 120.724 119.914 0.021 0.000 3.174 597 V HA 0.475 4.598 4.120 0.004 0.000 0.254 597 V C 0.680 176.859 176.094 0.142 0.000 1.120 597 V CA 0.720 63.088 62.300 0.112 0.000 1.114 597 V CB -0.618 31.206 31.823 0.002 0.000 0.756 597 V HN 0.525 nan 8.190 nan 0.000 0.467 598 A N 0.490 123.375 122.820 0.109 0.000 2.374 598 A HA 0.743 5.065 4.320 0.004 0.000 0.305 598 A C -1.521 176.187 177.584 0.208 0.000 1.053 598 A CA -0.177 51.934 52.037 0.123 0.000 0.726 598 A CB 1.649 20.670 19.000 0.035 0.000 1.229 598 A HN 0.282 nan 8.150 nan 0.000 0.431 599 D N 2.093 122.672 120.400 0.298 0.000 2.336 599 D HA 0.384 5.026 4.640 0.004 0.000 0.248 599 D C 1.159 177.596 176.300 0.229 0.000 1.326 599 D CA 0.382 54.577 54.000 0.324 0.000 0.973 599 D CB 0.975 42.038 40.800 0.439 0.000 1.255 599 D HN 0.527 nan 8.370 nan 0.000 0.558 600 G N 1.421 110.248 108.800 0.046 0.000 2.470 600 G HA2 -0.234 3.729 3.960 0.004 0.000 0.220 600 G HA3 -0.234 3.729 3.960 0.004 0.000 0.220 600 G C 1.173 175.967 174.900 -0.177 0.000 1.121 600 G CA 0.397 45.429 45.100 -0.112 0.000 0.766 600 G HN 0.497 nan 8.290 nan 0.000 0.553 601 F N 0.101 120.091 119.950 0.067 0.000 2.502 601 F HA 0.162 4.691 4.527 0.003 0.000 0.298 601 F C 2.583 178.260 175.800 -0.205 0.000 1.111 601 F CA 0.692 58.610 58.000 -0.136 0.000 1.445 601 F CB 0.259 39.123 39.000 -0.227 0.000 1.081 601 F HN 0.012 nan 8.300 nan 0.000 0.558 602 R N -0.442 120.132 120.500 0.125 0.000 2.543 602 R HA 0.107 4.450 4.340 0.004 0.000 0.323 602 R C 0.038 176.414 176.300 0.128 0.000 1.002 602 R CA -0.157 56.002 56.100 0.098 0.000 1.106 602 R CB -0.005 30.411 30.300 0.194 0.000 1.280 602 R HN -0.047 nan 8.270 nan 0.000 0.549 603 N N 1.003 119.765 118.700 0.103 0.000 2.727 603 N HA -0.268 4.475 4.740 0.004 0.000 0.249 603 N C -1.524 174.093 175.510 0.178 0.000 1.048 603 N CA 0.854 53.969 53.050 0.107 0.000 0.714 603 N CB -1.055 37.484 38.487 0.088 0.000 0.959 603 N HN 0.359 nan 8.380 nan 0.000 0.544 604 Y N 0.230 120.574 120.300 0.074 0.000 2.335 604 Y HA 0.666 5.219 4.550 0.006 0.000 0.338 604 Y C -0.602 175.354 175.900 0.093 0.000 0.977 604 Y CA -0.793 57.358 58.100 0.085 0.000 1.114 604 Y CB 0.923 39.447 38.460 0.108 0.000 1.182 604 Y HN 0.119 nan 8.280 nan 0.000 0.463 605 L N 7.468 128.330 121.223 -0.603 0.000 2.409 605 L HA 0.401 4.744 4.340 0.004 0.000 0.272 605 L C 0.675 177.092 176.870 -0.754 0.000 0.980 605 L CA -0.650 53.880 54.840 -0.515 0.000 0.826 605 L CB 2.249 44.183 42.059 -0.208 0.000 1.268 605 L HN 0.698 nan 8.230 nan 0.000 0.407 606 K N 1.695 121.748 120.400 -0.577 0.000 2.116 606 K HA 0.123 4.445 4.320 0.004 0.000 0.203 606 K C 0.707 177.171 176.600 -0.227 0.000 1.052 606 K CA 1.117 57.210 56.287 -0.323 0.000 0.952 606 K CB 0.346 32.866 32.500 0.034 0.000 0.729 606 K HN 0.820 nan 8.250 nan 0.000 0.446 607 G N -0.306 108.253 108.800 -0.402 0.000 3.021 607 G HA2 0.360 4.323 3.960 0.004 0.000 0.290 607 G HA3 0.360 4.323 3.960 0.004 0.000 0.290 607 G C -1.562 172.817 174.900 -0.869 0.000 1.291 607 G CA -0.720 44.057 45.100 -0.540 0.000 0.834 607 G HN -0.046 nan 8.290 nan 0.000 0.564 608 K N -0.067 119.933 120.400 -0.666 0.000 2.201 608 K HA 0.601 4.924 4.320 0.004 0.000 0.278 608 K C -1.379 174.871 176.600 -0.583 0.000 1.027 608 K CA -0.075 55.899 56.287 -0.522 0.000 0.909 608 K CB 0.900 33.256 32.500 -0.240 0.000 1.062 608 K HN 0.468 nan 8.250 nan 0.000 0.465 609 Y N 0.684 120.953 120.300 -0.052 0.000 2.630 609 Y HA 0.369 4.921 4.550 0.003 0.000 0.337 609 Y C 1.280 177.150 175.900 -0.050 0.000 1.051 609 Y CA -1.237 56.830 58.100 -0.055 0.000 1.121 609 Y CB 1.384 39.803 38.460 -0.069 0.000 1.299 609 Y HN 0.333 nan 8.280 nan 0.000 0.498 610 R N 0.003 120.588 120.500 0.143 0.000 2.240 610 R HA 0.115 4.458 4.340 0.004 0.000 0.203 610 R C -0.419 175.892 176.300 0.018 0.000 1.011 610 R CA 0.320 56.448 56.100 0.047 0.000 1.007 610 R CB -0.207 30.103 30.300 0.017 0.000 0.911 610 R HN 0.253 nan 8.270 nan 0.000 0.468 611 V N 4.075 124.003 119.914 0.024 0.000 2.439 611 V HA 0.220 4.343 4.120 0.004 0.000 0.282 611 V C -2.103 174.000 176.094 0.016 0.000 1.039 611 V CA -2.074 60.211 62.300 -0.024 0.000 0.913 611 V CB 1.530 33.294 31.823 -0.098 0.000 0.983 611 V HN 0.008 nan 8.190 nan 0.000 0.460 612 P HA 0.130 nan 4.420 nan 0.000 0.267 612 P C 0.674 177.975 177.300 0.001 0.000 1.200 612 P CA -0.017 63.088 63.100 0.008 0.000 0.772 612 P CB 0.739 32.439 31.700 -0.000 0.000 0.855 613 A N 3.506 126.335 122.820 0.015 0.000 1.948 613 A HA -0.234 4.089 4.320 0.004 0.000 0.220 613 A C 1.887 179.446 177.584 -0.040 0.000 1.177 613 A CA 1.772 53.814 52.037 0.008 0.000 0.636 613 A CB -0.971 18.043 19.000 0.022 0.000 0.815 613 A HN 0.707 nan 8.150 nan 0.000 0.449 614 E N 0.186 120.347 120.200 -0.066 0.000 2.150 614 E HA -0.111 4.242 4.350 0.004 0.000 0.193 614 E C 1.850 178.374 176.600 -0.128 0.000 0.985 614 E CA 1.546 57.869 56.400 -0.128 0.000 0.814 614 E CB -0.905 28.696 29.700 -0.165 0.000 0.752 614 E HN 0.338 nan 8.360 nan 0.000 0.466 615 V N 1.706 121.564 119.914 -0.094 0.000 2.515 615 V HA -0.200 3.922 4.120 0.004 0.000 0.250 615 V C 2.557 178.595 176.094 -0.092 0.000 1.058 615 V CA 1.323 63.567 62.300 -0.093 0.000 1.064 615 V CB -0.463 31.311 31.823 -0.081 0.000 0.675 615 V HN 0.214 nan 8.190 nan 0.000 0.461 616 L N -0.935 120.240 121.223 -0.080 0.000 2.240 616 L HA -0.081 4.261 4.340 0.004 0.000 0.211 616 L C 2.342 179.177 176.870 -0.058 0.000 1.106 616 L CA 0.671 55.466 54.840 -0.075 0.000 0.793 616 L CB -0.474 41.549 42.059 -0.059 0.000 0.927 616 L HN 0.339 nan 8.230 nan 0.000 0.446 617 L N -0.244 120.929 121.223 -0.084 0.000 1.994 617 L HA -0.153 4.189 4.340 0.004 0.000 0.208 617 L C 2.381 179.212 176.870 -0.064 0.000 1.071 617 L CA 1.763 56.527 54.840 -0.126 0.000 0.745 617 L CB -0.427 41.509 42.059 -0.205 0.000 0.892 617 L HN -0.092 nan 8.230 nan 0.000 0.431 618 V N 0.107 119.977 119.914 -0.074 0.000 2.343 618 V HA -0.311 3.812 4.120 0.004 0.000 0.247 618 V C 2.358 178.447 176.094 -0.007 0.000 1.051 618 V CA 1.957 64.234 62.300 -0.039 0.000 1.036 618 V CB -0.881 30.890 31.823 -0.086 0.000 0.654 618 V HN 0.614 nan 8.190 nan 0.000 0.451 619 D N 0.176 120.557 120.400 -0.032 0.000 2.123 619 D HA -0.248 4.395 4.640 0.004 0.000 0.196 619 D C 2.108 178.420 176.300 0.020 0.000 0.992 619 D CA 1.551 55.532 54.000 -0.031 0.000 0.833 619 D CB -0.103 40.655 40.800 -0.070 0.000 0.954 619 D HN 0.256 nan 8.370 nan 0.000 0.455 620 K N 0.381 120.821 120.400 0.068 0.000 2.057 620 K HA 0.042 4.365 4.320 0.004 0.000 0.206 620 K C 1.859 178.610 176.600 0.252 0.000 1.050 620 K CA 1.512 57.900 56.287 0.168 0.000 0.935 620 K CB -0.829 31.821 32.500 0.250 0.000 0.715 620 K HN 0.140 nan 8.250 nan 0.000 0.439 621 A N 0.848 123.847 122.820 0.299 0.000 1.883 621 A HA -0.224 4.098 4.320 0.004 0.000 0.217 621 A C 2.240 179.914 177.584 0.150 0.000 1.186 621 A CA 1.802 54.024 52.037 0.308 0.000 0.624 621 A CB -0.735 18.445 19.000 0.299 0.000 0.822 621 A HN 0.480 nan 8.150 nan 0.000 0.444 622 Q N -0.081 119.769 119.800 0.083 0.000 2.084 622 Q HA -0.138 4.205 4.340 0.004 0.000 0.202 622 Q C 2.092 178.102 176.000 0.016 0.000 0.978 622 Q CA 1.668 57.486 55.803 0.026 0.000 0.844 622 Q CB -0.346 28.383 28.738 -0.014 0.000 0.898 622 Q HN 0.727 nan 8.270 nan 0.000 0.426 623 L N 0.220 121.456 121.223 0.022 0.000 2.131 623 L HA -0.165 4.178 4.340 0.004 0.000 0.210 623 L C 2.314 179.217 176.870 0.054 0.000 1.092 623 L CA 0.686 55.527 54.840 0.002 0.000 0.759 623 L CB -0.325 41.723 42.059 -0.018 0.000 0.903 623 L HN 0.191 nan 8.230 nan 0.000 0.435 624 L N -0.231 121.046 121.223 0.090 0.000 2.599 624 L HA -0.024 4.318 4.340 0.004 0.000 0.230 624 L C 1.227 178.151 176.870 0.091 0.000 1.141 624 L CA 0.721 55.625 54.840 0.107 0.000 0.877 624 L CB -0.482 41.605 42.059 0.047 0.000 1.009 624 L HN 0.565 nan 8.230 nan 0.000 0.447 625 T N -3.098 111.499 114.554 0.072 0.000 4.595 625 T HA -0.231 4.121 4.350 0.004 0.000 0.311 625 T C -0.017 174.701 174.700 0.029 0.000 1.052 625 T CA 0.465 62.588 62.100 0.037 0.000 2.205 625 T CB -2.625 66.274 68.868 0.051 0.000 1.872 625 T HN 0.171 nan 8.240 nan 0.000 0.961 626 L N 1.976 123.230 121.223 0.052 0.000 2.334 626 L HA 0.643 4.985 4.340 0.004 0.000 0.277 626 L C 1.361 178.285 176.870 0.089 0.000 1.075 626 L CA -0.496 54.384 54.840 0.066 0.000 0.804 626 L CB 1.472 43.590 42.059 0.099 0.000 1.174 626 L HN 0.574 nan 8.230 nan 0.000 0.438 627 S N 1.438 117.195 115.700 0.094 0.000 2.655 627 S HA 0.373 4.846 4.470 0.004 0.000 0.265 627 S C 1.071 175.758 174.600 0.145 0.000 1.240 627 S CA -0.155 58.117 58.200 0.119 0.000 0.986 627 S CB 1.483 64.751 63.200 0.113 0.000 0.985 627 S HN 0.690 nan 8.310 nan 0.000 0.562 628 A N 1.036 123.951 122.820 0.160 0.000 1.877 628 A HA 0.078 4.400 4.320 0.004 0.000 0.216 628 A C -0.361 177.351 177.584 0.213 0.000 1.186 628 A CA 1.497 53.643 52.037 0.181 0.000 0.620 628 A CB -2.215 16.886 19.000 0.169 0.000 0.822 628 A HN 0.723 nan 8.150 nan 0.000 0.443 629 P HA -0.148 nan 4.420 nan 0.000 0.215 629 P C 1.134 178.531 177.300 0.163 0.000 1.153 629 P CA 1.516 64.749 63.100 0.222 0.000 0.853 629 P CB -0.091 31.733 31.700 0.207 0.000 0.788 630 E N -0.949 119.327 120.200 0.126 0.000 2.077 630 E HA -0.187 4.166 4.350 0.004 0.000 0.193 630 E C 2.011 178.675 176.600 0.107 0.000 0.989 630 E CA 1.003 57.446 56.400 0.072 0.000 0.800 630 E CB -0.542 29.188 29.700 0.049 0.000 0.746 630 E HN 0.226 nan 8.360 nan 0.000 0.452 631 M N 0.764 120.486 119.600 0.204 0.000 2.080 631 M HA -0.194 4.289 4.480 0.004 0.000 0.260 631 M C 2.040 178.533 176.300 0.321 0.000 1.068 631 M CA 1.733 57.250 55.300 0.363 0.000 1.109 631 M CB -0.219 32.620 32.600 0.399 0.000 1.342 631 M HN 0.011 nan 8.290 nan 0.000 0.405 632 T N 0.861 115.570 114.554 0.258 0.000 2.635 632 T HA -0.171 4.182 4.350 0.004 0.000 0.267 632 T C 1.750 176.475 174.700 0.041 0.000 1.040 632 T CA 2.259 64.433 62.100 0.122 0.000 1.156 632 T CB -0.921 68.114 68.868 0.279 0.000 0.863 632 T HN 0.574 nan 8.240 nan 0.000 0.430 633 V N 0.392 120.272 119.914 -0.057 0.000 2.453 633 V HA 0.008 4.131 4.120 0.004 0.000 0.247 633 V C 2.338 178.544 176.094 0.188 0.000 1.048 633 V CA 1.240 63.487 62.300 -0.088 0.000 1.049 633 V CB -1.054 30.509 31.823 -0.434 0.000 0.672 633 V HN 0.315 nan 8.190 nan 0.000 0.457 634 L N 0.125 121.415 121.223 0.111 0.000 2.017 634 L HA -0.045 4.298 4.340 0.004 0.000 0.208 634 L C 2.387 179.357 176.870 0.167 0.000 1.073 634 L CA 2.465 57.382 54.840 0.130 0.000 0.745 634 L CB -0.652 41.368 42.059 -0.066 0.000 0.894 634 L HN 0.428 nan 8.230 nan 0.000 0.432 635 L N -0.923 120.368 121.223 0.112 0.000 2.017 635 L HA -0.072 4.271 4.340 0.004 0.000 0.208 635 L C 2.316 178.850 176.870 -0.560 0.000 1.073 635 L CA 1.744 56.501 54.840 -0.139 0.000 0.745 635 L CB -0.972 40.915 42.059 -0.286 0.000 0.894 635 L HN 0.387 nan 8.230 nan 0.000 0.432 636 G N -1.073 107.301 108.800 -0.710 0.000 2.442 636 G HA2 -0.230 3.733 3.960 0.004 0.000 0.219 636 G HA3 -0.230 3.733 3.960 0.004 0.000 0.219 636 G C 1.423 176.058 174.900 -0.441 0.000 1.141 636 G CA 0.637 45.083 45.100 -1.090 0.000 0.763 636 G HN 0.571 nan 8.290 nan 0.000 0.554 637 G N 0.732 109.516 108.800 -0.028 0.000 2.394 637 G HA2 -0.057 3.906 3.960 0.004 0.000 0.215 637 G HA3 -0.057 3.906 3.960 0.004 0.000 0.215 637 G C 1.803 176.514 174.900 -0.315 0.000 1.165 637 G CA 0.563 45.538 45.100 -0.208 0.000 0.784 637 G HN 0.407 nan 8.290 nan 0.000 0.535 638 L N 0.095 121.241 121.223 -0.128 0.000 2.079 638 L HA -0.080 4.263 4.340 0.004 0.000 0.210 638 L C 3.161 179.896 176.870 -0.226 0.000 1.081 638 L CA 0.757 55.499 54.840 -0.163 0.000 0.752 638 L CB -0.309 41.627 42.059 -0.206 0.000 0.896 638 L HN 0.047 nan 8.230 nan 0.000 0.433 639 R N 0.093 120.406 120.500 -0.311 0.000 2.096 639 R HA -0.154 4.188 4.340 0.004 0.000 0.240 639 R C 2.238 178.409 176.300 -0.216 0.000 1.139 639 R CA 1.928 57.849 56.100 -0.299 0.000 0.952 639 R CB -1.142 28.886 30.300 -0.454 0.000 0.854 639 R HN 0.478 nan 8.270 nan 0.000 0.436 640 V N -1.527 118.252 119.914 -0.226 0.000 3.041 640 V HA 0.004 4.127 4.120 0.004 0.000 0.260 640 V C 2.053 178.055 176.094 -0.153 0.000 1.105 640 V CA 1.111 63.311 62.300 -0.167 0.000 1.125 640 V CB -0.540 31.182 31.823 -0.168 0.000 0.730 640 V HN 0.103 nan 8.190 nan 0.000 0.479 641 L N 1.334 122.445 121.223 -0.186 0.000 2.492 641 L HA 0.416 4.759 4.340 0.004 0.000 0.223 641 L C 1.833 178.641 176.870 -0.104 0.000 1.132 641 L CA 0.890 55.632 54.840 -0.163 0.000 0.850 641 L CB -0.532 41.400 42.059 -0.212 0.000 0.966 641 L HN 0.635 nan 8.230 nan 0.000 0.454 642 G N -0.289 108.457 108.800 -0.091 0.000 2.140 642 G HA2 -0.232 3.730 3.960 0.004 0.000 0.211 642 G HA3 -0.232 3.730 3.960 0.004 0.000 0.211 642 G C 0.705 175.586 174.900 -0.032 0.000 1.013 642 G CA 0.140 45.209 45.100 -0.051 0.000 0.705 642 G HN 0.367 nan 8.290 nan 0.000 0.508 643 A N -0.556 122.232 122.820 -0.052 0.000 2.238 643 A HA 0.325 4.647 4.320 0.004 0.000 0.208 643 A C 1.149 178.727 177.584 -0.010 0.000 1.177 643 A CA 0.581 52.602 52.037 -0.027 0.000 0.804 643 A CB -0.107 18.840 19.000 -0.088 0.000 0.823 643 A HN 0.440 nan 8.150 nan 0.000 0.482 644 N N 0.384 119.074 118.700 -0.017 0.000 2.458 644 N HA 0.225 4.968 4.740 0.004 0.000 0.258 644 N C -0.081 175.453 175.510 0.041 0.000 1.219 644 N CA 0.089 53.147 53.050 0.012 0.000 0.902 644 N CB 0.786 39.272 38.487 -0.001 0.000 1.076 644 N HN 0.036 nan 8.380 nan 0.000 0.455 645 V N 1.452 121.412 119.914 0.075 0.000 2.788 645 V HA 0.144 4.267 4.120 0.004 0.000 0.307 645 V C 1.555 177.685 176.094 0.060 0.000 1.069 645 V CA 0.895 63.239 62.300 0.074 0.000 1.173 645 V CB 0.377 32.264 31.823 0.107 0.000 0.925 645 V HN 0.969 nan 8.190 nan 0.000 0.492 646 G N 3.450 112.278 108.800 0.047 0.000 2.179 646 G HA2 -0.321 3.642 3.960 0.004 0.000 0.257 646 G HA3 -0.321 3.642 3.960 0.004 0.000 0.257 646 G C 0.304 175.212 174.900 0.013 0.000 1.010 646 G CA 0.454 45.574 45.100 0.032 0.000 0.736 646 G HN 1.076 nan 8.290 nan 0.000 0.513 647 Q N -1.361 118.448 119.800 0.015 0.000 2.435 647 Q HA -0.176 4.166 4.340 0.004 0.000 0.286 647 Q C 0.929 176.928 176.000 -0.003 0.000 1.229 647 Q CA 1.374 57.182 55.803 0.009 0.000 0.884 647 Q CB -1.886 26.860 28.738 0.014 0.000 1.245 647 Q HN 1.372 nan 8.270 nan 0.000 0.488 648 S N -0.562 115.124 115.700 -0.023 0.000 2.562 648 S HA 0.223 4.696 4.470 0.004 0.000 0.281 648 S C 1.052 175.646 174.600 -0.009 0.000 1.333 648 S CA -0.527 57.628 58.200 -0.075 0.000 1.052 648 S CB 0.693 63.796 63.200 -0.161 0.000 0.884 648 S HN 0.277 nan 8.310 nan 0.000 0.506 649 R N 2.209 122.730 120.500 0.035 0.000 2.299 649 R HA 0.106 4.449 4.340 0.004 0.000 0.197 649 R C 0.143 176.594 176.300 0.252 0.000 0.971 649 R CA 0.304 56.492 56.100 0.148 0.000 1.030 649 R CB -1.031 29.385 30.300 0.192 0.000 0.932 649 R HN 0.731 nan 8.270 nan 0.000 0.477 650 H N 0.094 119.221 119.070 0.095 0.000 3.091 650 H HA 0.083 4.642 4.556 0.005 0.000 0.289 650 H C 1.079 176.370 175.328 -0.062 0.000 0.995 650 H CA 0.342 56.448 56.048 0.098 0.000 1.461 650 H CB 0.382 30.202 29.762 0.097 0.000 1.510 650 H HN 0.397 nan 8.280 nan 0.000 0.546 651 G N 2.833 111.553 108.800 -0.133 0.000 2.179 651 G HA2 -0.306 3.657 3.960 0.004 0.000 0.260 651 G HA3 -0.306 3.657 3.960 0.004 0.000 0.260 651 G C 0.429 174.761 174.900 -0.947 0.000 0.977 651 G CA 0.195 44.800 45.100 -0.825 0.000 0.641 651 G HN 0.526 nan 8.290 nan 0.000 0.533 652 V N 1.950 121.618 119.914 -0.410 0.000 2.071 652 V HA 0.327 4.450 4.120 0.004 0.000 0.254 652 V C 0.594 176.608 176.094 -0.133 0.000 1.456 652 V CA -0.019 62.156 62.300 -0.208 0.000 1.383 652 V CB -0.860 30.956 31.823 -0.011 0.000 1.433 652 V HN 0.330 nan 8.190 nan 0.000 0.499 653 F N 2.123 121.865 119.950 -0.346 0.000 2.626 653 F HA 0.433 4.963 4.527 0.005 0.000 0.353 653 F C 0.855 176.267 175.800 -0.646 0.000 1.230 653 F CA -0.192 57.183 58.000 -1.042 0.000 1.298 653 F CB 0.412 38.662 39.000 -1.250 0.000 1.670 653 F HN 0.382 nan 8.300 nan 0.000 0.633 654 T N -0.017 114.516 114.554 -0.034 0.000 2.885 654 T HA 0.533 4.886 4.350 0.004 0.000 0.322 654 T C -0.019 174.845 174.700 0.273 0.000 1.387 654 T CA -0.234 61.939 62.100 0.121 0.000 1.041 654 T CB 1.642 70.520 68.868 0.017 0.000 1.287 654 T HN 0.273 nan 8.240 nan 0.000 0.491 655 A N 3.011 125.966 122.820 0.226 0.000 2.345 655 A HA 0.342 4.664 4.320 0.004 0.000 0.225 655 A C 0.879 178.519 177.584 0.092 0.000 1.243 655 A CA -0.169 51.965 52.037 0.163 0.000 0.875 655 A CB -0.131 18.949 19.000 0.134 0.000 0.929 655 A HN 0.656 nan 8.150 nan 0.000 0.502 656 R N 0.356 120.899 120.500 0.070 0.000 2.681 656 R HA 0.373 4.715 4.340 0.004 0.000 0.277 656 R C -0.735 175.571 176.300 0.010 0.000 1.563 656 R CA -0.402 55.719 56.100 0.034 0.000 1.673 656 R CB 0.019 30.334 30.300 0.025 0.000 1.258 656 R HN 0.316 nan 8.270 nan 0.000 0.650 657 E N 1.956 122.167 120.200 0.017 0.000 2.415 657 E HA -0.090 4.263 4.350 0.004 0.000 0.262 657 E C -0.254 176.331 176.600 -0.025 0.000 1.038 657 E CA 0.566 56.961 56.400 -0.009 0.000 0.921 657 E CB 0.492 30.196 29.700 0.007 0.000 0.950 657 E HN 0.519 nan 8.360 nan 0.000 0.438 658 Q N -1.401 118.367 119.800 -0.053 0.000 2.429 658 Q HA -0.237 4.105 4.340 0.004 0.000 0.232 658 Q C -1.120 174.839 176.000 -0.068 0.000 0.724 658 Q CA 0.623 56.389 55.803 -0.063 0.000 1.287 658 Q CB -1.670 27.044 28.738 -0.040 0.000 1.429 658 Q HN 0.471 nan 8.270 nan 0.000 0.721 659 A N 0.796 123.574 122.820 -0.069 0.000 2.331 659 A HA 0.643 4.966 4.320 0.004 0.000 0.320 659 A C -0.491 177.031 177.584 -0.104 0.000 1.138 659 A CA -0.578 51.419 52.037 -0.066 0.000 0.790 659 A CB 1.040 20.021 19.000 -0.032 0.000 1.206 659 A HN 0.168 nan 8.150 nan 0.000 0.470 660 L N 3.916 125.065 121.223 -0.123 0.000 2.401 660 L HA 0.441 4.784 4.340 0.004 0.000 0.283 660 L C 0.624 177.451 176.870 -0.072 0.000 1.151 660 L CA 0.885 55.637 54.840 -0.146 0.000 0.942 660 L CB -0.335 41.601 42.059 -0.205 0.000 1.283 660 L HN 0.849 nan 8.230 nan 0.000 0.442 661 T N -0.094 114.409 114.554 -0.085 0.000 2.887 661 T HA 0.399 4.752 4.350 0.004 0.000 0.292 661 T C 0.533 174.929 174.700 -0.507 0.000 1.087 661 T CA -0.609 61.400 62.100 -0.151 0.000 1.009 661 T CB 1.220 70.023 68.868 -0.108 0.000 1.203 661 T HN 0.456 nan 8.240 nan 0.000 0.518 662 N N -0.071 118.282 118.700 -0.577 0.000 2.322 662 N HA 0.049 4.791 4.740 0.004 0.000 0.216 662 N C 0.235 175.638 175.510 -0.179 0.000 1.144 662 N CA -0.142 52.498 53.050 -0.682 0.000 0.830 662 N CB -0.309 37.953 38.487 -0.375 0.000 1.034 662 N HN 0.536 nan 8.380 nan 0.000 0.484 663 D N 0.809 121.108 120.400 -0.170 0.000 2.158 663 D HA -0.190 4.453 4.640 0.004 0.000 0.197 663 D C 1.236 177.464 176.300 -0.119 0.000 0.995 663 D CA 0.764 54.709 54.000 -0.092 0.000 0.846 663 D CB -0.355 40.403 40.800 -0.071 0.000 0.941 663 D HN 0.356 nan 8.370 nan 0.000 0.456 664 F N 0.362 120.103 119.950 -0.348 0.000 2.120 664 F HA -0.253 4.277 4.527 0.005 0.000 0.300 664 F C 1.931 177.494 175.800 -0.396 0.000 1.095 664 F CA 1.483 59.208 58.000 -0.459 0.000 1.249 664 F CB -0.412 38.090 39.000 -0.830 0.000 0.995 664 F HN -0.103 nan 8.300 nan 0.000 0.480 665 F N -0.639 119.283 119.950 -0.047 0.000 2.163 665 F HA -0.116 4.413 4.527 0.004 0.000 0.297 665 F C 2.312 178.048 175.800 -0.107 0.000 1.094 665 F CA 1.220 59.188 58.000 -0.052 0.000 1.290 665 F CB -1.090 37.943 39.000 0.055 0.000 1.017 665 F HN -0.240 nan 8.300 nan 0.000 0.483 666 V N 0.342 120.302 119.914 0.077 0.000 2.358 666 V HA -0.254 3.869 4.120 0.004 0.000 0.246 666 V C 2.035 178.108 176.094 -0.035 0.000 1.047 666 V CA 1.834 64.152 62.300 0.030 0.000 1.035 666 V CB -0.599 31.242 31.823 0.031 0.000 0.658 666 V HN 0.348 nan 8.190 nan 0.000 0.452 667 N N 0.064 118.691 118.700 -0.121 0.000 2.216 667 N HA -0.081 4.661 4.740 0.004 0.000 0.183 667 N C 1.724 177.035 175.510 -0.332 0.000 1.017 667 N CA 1.106 54.040 53.050 -0.193 0.000 0.861 667 N CB -0.321 37.958 38.487 -0.345 0.000 0.986 667 N HN 0.410 nan 8.380 nan 0.000 0.428 668 L N 1.128 122.076 121.223 -0.459 0.000 2.046 668 L HA -0.019 4.324 4.340 0.004 0.000 0.208 668 L C 1.646 178.394 176.870 -0.204 0.000 1.077 668 L CA 1.499 56.041 54.840 -0.496 0.000 0.747 668 L CB -0.421 41.262 42.059 -0.627 0.000 0.896 668 L HN 0.077 nan 8.230 nan 0.000 0.432 669 L N -0.507 120.656 121.223 -0.100 0.000 2.591 669 L HA 0.086 4.428 4.340 0.004 0.000 0.228 669 L C 0.284 177.164 176.870 0.017 0.000 1.133 669 L CA -0.244 54.587 54.840 -0.015 0.000 0.880 669 L CB -0.614 41.460 42.059 0.026 0.000 1.033 669 L HN 0.191 nan 8.230 nan 0.000 0.450 670 D N 0.945 121.360 120.400 0.025 0.000 2.382 670 D HA -0.061 4.581 4.640 0.004 0.000 0.259 670 D C 0.849 177.189 176.300 0.066 0.000 1.224 670 D CA 0.144 54.172 54.000 0.048 0.000 0.894 670 D CB 1.262 42.101 40.800 0.065 0.000 1.127 670 D HN -0.054 nan 8.370 nan 0.000 0.487 671 M N 3.472 123.099 119.600 0.044 0.000 2.562 671 M HA 0.155 4.638 4.480 0.004 0.000 0.257 671 M C 1.804 178.117 176.300 0.021 0.000 1.099 671 M CA 0.785 56.110 55.300 0.041 0.000 1.099 671 M CB -0.139 32.477 32.600 0.026 0.000 1.427 671 M HN 0.411 nan 8.290 nan 0.000 0.489 672 G N -0.535 108.272 108.800 0.011 0.000 2.527 672 G HA2 -0.100 3.862 3.960 0.004 0.000 0.219 672 G HA3 -0.100 3.862 3.960 0.004 0.000 0.219 672 G C 0.409 175.280 174.900 -0.049 0.000 1.117 672 G CA 0.934 46.025 45.100 -0.016 0.000 0.759 672 G HN 0.471 nan 8.290 nan 0.000 0.556 673 T N -0.036 114.494 114.554 -0.039 0.000 2.794 673 T HA 0.483 4.836 4.350 0.004 0.000 0.280 673 T C -0.654 173.938 174.700 -0.180 0.000 0.987 673 T CA -0.499 61.506 62.100 -0.159 0.000 0.993 673 T CB 2.550 71.318 68.868 -0.166 0.000 0.939 673 T HN 0.260 nan 8.240 nan 0.000 0.449 674 E N 2.028 122.050 120.200 -0.298 0.000 2.179 674 E HA 0.398 4.751 4.350 0.004 0.000 0.275 674 E C -1.426 174.959 176.600 -0.357 0.000 0.945 674 E CA -0.855 55.432 56.400 -0.187 0.000 0.792 674 E CB 1.061 30.701 29.700 -0.100 0.000 1.125 674 E HN 0.560 nan 8.360 nan 0.000 0.397 675 W N 3.392 124.697 121.300 0.008 0.000 2.529 675 W HA 0.475 5.137 4.660 0.004 0.000 0.321 675 W C -0.332 176.249 176.519 0.104 0.000 1.047 675 W CA -0.640 56.733 57.345 0.047 0.000 1.216 675 W CB 1.562 31.016 29.460 -0.010 0.000 1.357 675 W HN 0.272 nan 8.180 nan 0.000 0.489 676 K N 3.717 124.328 120.400 0.351 0.000 2.498 676 K HA 0.401 4.724 4.320 0.004 0.000 0.254 676 K C -2.603 174.173 176.600 0.294 0.000 0.933 676 K CA -1.946 54.512 56.287 0.285 0.000 0.806 676 K CB 2.641 35.214 32.500 0.122 0.000 1.301 676 K HN 0.030 nan 8.250 nan 0.000 0.432 677 P HA -0.032 nan 4.420 nan 0.000 0.271 677 P C -0.280 176.947 177.300 -0.121 0.000 1.218 677 P CA -0.195 62.775 63.100 -0.216 0.000 0.780 677 P CB 0.388 31.933 31.700 -0.258 0.000 0.901 678 T N -1.194 113.254 114.554 -0.177 0.000 2.828 678 T HA 0.370 4.722 4.350 0.004 0.000 0.290 678 T C 1.490 176.142 174.700 -0.081 0.000 1.019 678 T CA -0.035 62.010 62.100 -0.091 0.000 1.031 678 T CB 0.526 69.350 68.868 -0.074 0.000 1.001 678 T HN 0.400 nan 8.240 nan 0.000 0.531 679 A N 1.713 124.506 122.820 -0.046 0.000 1.855 679 A HA 0.225 4.548 4.320 0.004 0.000 0.215 679 A C 2.705 180.266 177.584 -0.038 0.000 1.191 679 A CA 1.710 53.726 52.037 -0.035 0.000 0.613 679 A CB -1.605 17.382 19.000 -0.021 0.000 0.829 679 A HN 1.285 nan 8.150 nan 0.000 0.442 680 A N -1.348 121.453 122.820 -0.033 0.000 1.892 680 A HA -0.083 4.239 4.320 0.004 0.000 0.218 680 A C 0.961 178.519 177.584 -0.043 0.000 1.188 680 A CA 1.919 53.939 52.037 -0.029 0.000 0.631 680 A CB -0.230 18.761 19.000 -0.015 0.000 0.822 680 A HN 0.453 nan 8.150 nan 0.000 0.447 681 D N -3.028 117.331 120.400 -0.068 0.000 2.736 681 D HA 0.576 5.219 4.640 0.004 0.000 0.243 681 D C 0.334 176.533 176.300 -0.169 0.000 1.304 681 D CA 0.277 54.222 54.000 -0.092 0.000 0.934 681 D CB 1.629 42.388 40.800 -0.070 0.000 1.382 681 D HN 0.075 nan 8.370 nan 0.000 0.571 682 A N 3.085 125.810 122.820 -0.157 0.000 2.168 682 A HA -0.039 4.283 4.320 0.004 0.000 0.215 682 A C 0.949 178.328 177.584 -0.341 0.000 1.152 682 A CA 0.859 52.768 52.037 -0.213 0.000 0.716 682 A CB 0.134 19.074 19.000 -0.100 0.000 0.794 682 A HN 0.523 nan 8.150 nan 0.000 0.465 683 D N -0.663 119.580 120.400 -0.261 0.000 2.398 683 D HA 0.201 4.844 4.640 0.004 0.000 0.210 683 D C -0.103 176.075 176.300 -0.203 0.000 1.094 683 D CA 0.209 54.104 54.000 -0.175 0.000 0.839 683 D CB 0.604 41.392 40.800 -0.020 0.000 0.963 683 D HN 0.184 nan 8.370 nan 0.000 0.506 684 V N 1.000 120.704 119.914 -0.351 0.000 2.630 684 V HA 0.450 4.572 4.120 0.004 0.000 0.305 684 V C -0.570 175.220 176.094 -0.506 0.000 1.046 684 V CA -0.625 61.515 62.300 -0.267 0.000 0.934 684 V CB 1.551 33.296 31.823 -0.131 0.000 1.003 684 V HN -0.129 nan 8.190 nan 0.000 0.451 685 F N 0.997 120.977 119.950 0.051 0.000 2.565 685 F HA 0.544 5.073 4.527 0.004 0.000 0.313 685 F C 0.225 176.177 175.800 0.254 0.000 1.091 685 F CA -0.684 57.423 58.000 0.178 0.000 0.915 685 F CB 1.916 41.073 39.000 0.261 0.000 1.208 685 F HN 0.404 nan 8.300 nan 0.000 0.453 686 E N 0.870 121.284 120.200 0.357 0.000 2.179 686 E HA 0.585 4.938 4.350 0.004 0.000 0.275 686 E C -0.411 176.143 176.600 -0.076 0.000 0.945 686 E CA -0.848 55.645 56.400 0.154 0.000 0.792 686 E CB 2.145 31.870 29.700 0.041 0.000 1.125 686 E HN 0.797 nan 8.360 nan 0.000 0.397 687 G N 3.042 111.564 108.800 -0.464 0.000 2.588 687 G HA2 0.400 4.362 3.960 0.004 0.000 0.312 687 G HA3 0.400 4.362 3.960 0.004 0.000 0.312 687 G C -0.420 174.065 174.900 -0.691 0.000 1.257 687 G CA -0.531 43.812 45.100 -1.262 0.000 0.994 687 G HN 0.300 nan 8.290 nan 0.000 0.498 688 R N 2.061 122.233 120.500 -0.547 0.000 2.637 688 R HA 0.254 4.597 4.340 0.004 0.000 0.291 688 R C -0.777 175.341 176.300 -0.303 0.000 0.963 688 R CA -0.962 54.931 56.100 -0.344 0.000 0.901 688 R CB 2.151 32.316 30.300 -0.225 0.000 1.160 688 R HN 0.543 nan 8.270 nan 0.000 0.457 689 D N 2.271 122.521 120.400 -0.251 0.000 2.520 689 D HA -0.094 4.548 4.640 0.004 0.000 0.243 689 D C 0.898 177.114 176.300 -0.139 0.000 1.160 689 D CA 0.590 54.480 54.000 -0.183 0.000 0.877 689 D CB 0.766 41.469 40.800 -0.161 0.000 1.150 689 D HN 0.446 nan 8.370 nan 0.000 0.494 690 R N 2.985 123.415 120.500 -0.116 0.000 2.127 690 R HA -0.173 4.169 4.340 0.004 0.000 0.238 690 R C 1.769 178.029 176.300 -0.066 0.000 1.134 690 R CA 1.709 57.759 56.100 -0.083 0.000 0.975 690 R CB 0.107 30.370 30.300 -0.061 0.000 0.865 690 R HN 0.553 nan 8.270 nan 0.000 0.447 691 A N -0.697 122.084 122.820 -0.065 0.000 1.881 691 A HA -0.067 4.255 4.320 0.004 0.000 0.210 691 A C 2.125 179.674 177.584 -0.057 0.000 1.239 691 A CA 1.332 53.337 52.037 -0.054 0.000 0.629 691 A CB -0.670 18.302 19.000 -0.047 0.000 0.906 691 A HN 0.486 nan 8.150 nan 0.000 0.460 692 T N -4.294 110.218 114.554 -0.069 0.000 2.942 692 T HA 0.347 4.700 4.350 0.004 0.000 0.265 692 T C 1.578 176.233 174.700 -0.074 0.000 1.062 692 T CA 1.593 63.652 62.100 -0.069 0.000 1.139 692 T CB -0.059 68.763 68.868 -0.076 0.000 0.883 692 T HN 1.763 nan 8.240 nan 0.000 0.468 693 G N 0.960 109.706 108.800 -0.090 0.000 2.195 693 G HA2 -0.232 3.730 3.960 0.004 0.000 0.224 693 G HA3 -0.232 3.730 3.960 0.004 0.000 0.224 693 G C -0.115 174.719 174.900 -0.110 0.000 0.990 693 G CA 0.188 45.233 45.100 -0.092 0.000 0.639 693 G HN 0.873 nan 8.290 nan 0.000 0.514 694 E N 0.535 120.661 120.200 -0.123 0.000 2.414 694 E HA 0.346 4.699 4.350 0.004 0.000 0.263 694 E C 0.314 176.801 176.600 -0.189 0.000 1.000 694 E CA -0.730 55.586 56.400 -0.140 0.000 0.914 694 E CB 0.360 29.974 29.700 -0.143 0.000 0.948 694 E HN 0.296 nan 8.360 nan 0.000 0.444 695 L N 5.252 126.371 121.223 -0.174 0.000 2.477 695 L HA 0.021 4.364 4.340 0.004 0.000 0.272 695 L C 0.679 177.371 176.870 -0.298 0.000 1.157 695 L CA 0.960 55.678 54.840 -0.203 0.000 0.889 695 L CB 0.484 42.469 42.059 -0.123 0.000 1.158 695 L HN 0.626 nan 8.230 nan 0.000 0.473 696 K N 3.381 123.512 120.400 -0.447 0.000 2.306 696 K HA 0.220 4.543 4.320 0.004 0.000 0.200 696 K C -0.828 175.263 176.600 -0.849 0.000 1.083 696 K CA 0.582 56.376 56.287 -0.822 0.000 0.959 696 K CB 0.376 32.230 32.500 -1.076 0.000 0.994 696 K HN 0.592 nan 8.250 nan 0.000 0.492 697 W N 0.077 121.308 121.300 -0.115 0.000 3.074 697 W HA 0.259 4.922 4.660 0.004 0.000 0.332 697 W C -0.827 175.777 176.519 0.142 0.000 1.253 697 W CA -1.095 56.302 57.345 0.087 0.000 1.180 697 W CB 0.958 30.496 29.460 0.130 0.000 1.445 697 W HN -0.221 nan 8.180 nan 0.000 0.573 698 T N -0.687 114.227 114.554 0.600 0.000 2.908 698 T HA 0.932 5.285 4.350 0.004 0.000 0.290 698 T C -0.396 174.641 174.700 0.563 0.000 1.034 698 T CA -0.595 61.799 62.100 0.490 0.000 1.010 698 T CB 1.985 71.019 68.868 0.278 0.000 1.068 698 T HN 0.915 nan 8.240 nan 0.000 0.481 699 G N 0.488 109.541 108.800 0.422 0.000 2.708 699 G HA2 0.708 4.670 3.960 0.004 0.000 0.289 699 G HA3 0.708 4.670 3.960 0.004 0.000 0.289 699 G C -0.422 174.553 174.900 0.126 0.000 1.416 699 G CA -0.394 44.864 45.100 0.264 0.000 0.829 699 G HN 1.083 nan 8.290 nan 0.000 0.480 700 T N -2.456 112.169 114.554 0.118 0.000 2.893 700 T HA 0.402 4.754 4.350 0.004 0.000 0.279 700 T C 1.298 176.113 174.700 0.192 0.000 0.991 700 T CA -0.617 61.595 62.100 0.186 0.000 0.950 700 T CB 1.777 70.731 68.868 0.144 0.000 1.223 700 T HN 0.424 nan 8.240 nan 0.000 0.585 701 R N -0.427 120.202 120.500 0.215 0.000 2.120 701 R HA -0.016 4.327 4.340 0.004 0.000 0.234 701 R C 2.273 178.556 176.300 -0.028 0.000 1.123 701 R CA 0.968 57.113 56.100 0.076 0.000 0.975 701 R CB -0.884 29.484 30.300 0.114 0.000 0.866 701 R HN 0.462 nan 8.270 nan 0.000 0.446 702 V N 1.595 121.516 119.914 0.011 0.000 2.407 702 V HA -0.224 3.898 4.120 0.004 0.000 0.248 702 V C 1.573 177.733 176.094 0.109 0.000 1.055 702 V CA 1.813 64.111 62.300 -0.002 0.000 1.049 702 V CB -0.376 31.443 31.823 -0.007 0.000 0.662 702 V HN 0.281 nan 8.190 nan 0.000 0.455 703 D N 0.147 120.617 120.400 0.117 0.000 2.103 703 D HA -0.048 4.595 4.640 0.004 0.000 0.199 703 D C 2.098 178.505 176.300 0.178 0.000 0.978 703 D CA 1.125 55.263 54.000 0.231 0.000 0.829 703 D CB -0.075 40.805 40.800 0.133 0.000 0.981 703 D HN 0.338 nan 8.370 nan 0.000 0.464 704 L N 0.799 121.953 121.223 -0.114 0.000 2.395 704 L HA -0.002 4.341 4.340 0.004 0.000 0.218 704 L C 2.470 179.188 176.870 -0.252 0.000 1.130 704 L CA 0.103 54.739 54.840 -0.340 0.000 0.826 704 L CB -0.113 41.530 42.059 -0.693 0.000 0.941 704 L HN -0.092 nan 8.230 nan 0.000 0.451 705 V N -0.006 119.776 119.914 -0.219 0.000 2.568 705 V HA -0.287 3.836 4.120 0.004 0.000 0.253 705 V C 2.169 178.112 176.094 -0.251 0.000 1.072 705 V CA 1.818 63.959 62.300 -0.266 0.000 1.084 705 V CB -0.380 31.233 31.823 -0.349 0.000 0.676 705 V HN 0.286 nan 8.190 nan 0.000 0.469 706 F N 0.727 120.666 119.950 -0.019 0.000 2.407 706 F HA 0.096 4.626 4.527 0.004 0.000 0.299 706 F C 2.198 178.011 175.800 0.022 0.000 1.097 706 F CA 1.165 59.203 58.000 0.063 0.000 1.422 706 F CB -0.424 38.683 39.000 0.179 0.000 1.067 706 F HN 0.310 nan 8.300 nan 0.000 0.539 707 G N -2.080 106.750 108.800 0.050 0.000 3.189 707 G HA2 0.052 4.015 3.960 0.004 0.000 0.225 707 G HA3 0.052 4.015 3.960 0.004 0.000 0.225 707 G C 1.277 176.123 174.900 -0.090 0.000 1.159 707 G CA 0.758 45.823 45.100 -0.060 0.000 0.763 707 G HN 0.336 nan 8.290 nan 0.000 0.549 708 S N -1.152 114.500 115.700 -0.081 0.000 3.313 708 S HA 0.127 4.599 4.470 0.004 0.000 0.247 708 S C 0.686 175.243 174.600 -0.071 0.000 1.058 708 S CA -0.364 57.776 58.200 -0.101 0.000 0.794 708 S CB -0.298 62.814 63.200 -0.146 0.000 0.842 708 S HN 0.332 nan 8.310 nan 0.000 0.526 709 H N 2.661 121.649 119.070 -0.136 0.000 2.964 709 H HA 0.146 4.705 4.556 0.005 0.000 0.328 709 H C 1.454 176.734 175.328 -0.080 0.000 1.030 709 H CA 1.091 57.066 56.048 -0.123 0.000 1.445 709 H CB 1.299 30.975 29.762 -0.142 0.000 1.449 709 H HN 0.525 nan 8.280 nan 0.000 0.581 710 S N 2.704 118.157 115.700 -0.411 0.000 2.406 710 S HA -0.189 4.283 4.470 0.004 0.000 0.228 710 S C 1.862 176.438 174.600 -0.040 0.000 1.020 710 S CA 1.118 59.195 58.200 -0.205 0.000 0.965 710 S CB -0.030 63.013 63.200 -0.262 0.000 0.798 710 S HN 0.795 nan 8.310 nan 0.000 0.488 711 Q N 0.862 120.709 119.800 0.078 0.000 2.123 711 Q HA 0.153 4.495 4.340 0.004 0.000 0.196 711 Q C 2.147 178.299 176.000 0.253 0.000 0.958 711 Q CA 0.755 56.683 55.803 0.208 0.000 0.841 711 Q CB -0.209 28.705 28.738 0.294 0.000 0.915 711 Q HN 0.575 nan 8.270 nan 0.000 0.455 712 L N 0.380 121.811 121.223 0.345 0.000 2.093 712 L HA -0.128 4.214 4.340 0.004 0.000 0.208 712 L C 2.793 179.840 176.870 0.295 0.000 1.085 712 L CA 1.218 56.216 54.840 0.263 0.000 0.755 712 L CB -0.422 41.676 42.059 0.065 0.000 0.904 712 L HN 0.254 nan 8.230 nan 0.000 0.435 713 R N 0.372 120.996 120.500 0.208 0.000 2.115 713 R HA -0.131 4.212 4.340 0.004 0.000 0.230 713 R C 2.334 178.724 176.300 0.149 0.000 1.111 713 R CA 1.145 57.349 56.100 0.175 0.000 0.976 713 R CB -0.135 30.215 30.300 0.083 0.000 0.870 713 R HN 0.319 nan 8.270 nan 0.000 0.445 714 A N 1.138 124.029 122.820 0.118 0.000 1.908 714 A HA -0.153 4.169 4.320 0.004 0.000 0.218 714 A C 2.129 179.774 177.584 0.102 0.000 1.181 714 A CA 1.243 53.331 52.037 0.085 0.000 0.627 714 A CB -0.476 18.563 19.000 0.065 0.000 0.818 714 A HN 0.334 nan 8.150 nan 0.000 0.445 715 L N -1.024 120.301 121.223 0.170 0.000 2.072 715 L HA -0.136 4.206 4.340 0.004 0.000 0.205 715 L C 3.106 180.128 176.870 0.253 0.000 1.079 715 L CA 0.919 55.885 54.840 0.209 0.000 0.752 715 L CB -0.621 41.615 42.059 0.295 0.000 0.906 715 L HN 0.421 nan 8.230 nan 0.000 0.436 716 A N 0.124 123.137 122.820 0.322 0.000 1.940 716 A HA -0.254 4.069 4.320 0.004 0.000 0.219 716 A C 2.159 179.864 177.584 0.202 0.000 1.176 716 A CA 1.892 54.156 52.037 0.378 0.000 0.631 716 A CB -0.477 18.816 19.000 0.488 0.000 0.814 716 A HN 0.467 nan 8.150 nan 0.000 0.446 717 E N -0.584 119.693 120.200 0.128 0.000 2.106 717 E HA -0.103 4.249 4.350 0.004 0.000 0.192 717 E C 1.954 178.542 176.600 -0.021 0.000 0.984 717 E CA 1.103 57.538 56.400 0.058 0.000 0.806 717 E CB -0.219 29.504 29.700 0.039 0.000 0.750 717 E HN 0.414 nan 8.360 nan 0.000 0.458 718 V N 0.326 120.182 119.914 -0.098 0.000 2.295 718 V HA -0.265 3.858 4.120 0.004 0.000 0.246 718 V C 1.658 177.544 176.094 -0.347 0.000 1.049 718 V CA 1.774 63.914 62.300 -0.267 0.000 1.024 718 V CB -0.487 31.093 31.823 -0.405 0.000 0.648 718 V HN 0.334 nan 8.190 nan 0.000 0.447 719 Y N 0.289 120.470 120.300 -0.198 0.000 2.519 719 Y HA 0.163 4.716 4.550 0.005 0.000 0.287 719 Y C 2.275 178.045 175.900 -0.217 0.000 1.128 719 Y CA 0.719 58.622 58.100 -0.330 0.000 1.282 719 Y CB -0.153 37.787 38.460 -0.867 0.000 1.027 719 Y HN 0.308 nan 8.280 nan 0.000 0.551 720 G N -1.051 107.773 108.800 0.039 0.000 3.189 720 G HA2 0.071 4.033 3.960 0.004 0.000 0.225 720 G HA3 0.071 4.033 3.960 0.004 0.000 0.225 720 G C 0.267 175.198 174.900 0.052 0.000 1.159 720 G CA -0.143 45.023 45.100 0.110 0.000 0.763 720 G HN 0.059 nan 8.290 nan 0.000 0.549 721 S N -0.312 115.397 115.700 0.015 0.000 2.632 721 S HA 0.478 4.951 4.470 0.004 0.000 0.267 721 S C 1.671 176.282 174.600 0.019 0.000 1.276 721 S CA 0.025 58.230 58.200 0.007 0.000 0.998 721 S CB 1.619 64.806 63.200 -0.021 0.000 0.953 721 S HN 0.321 nan 8.310 nan 0.000 0.547 722 A N 1.259 124.090 122.820 0.018 0.000 2.067 722 A HA -0.105 4.217 4.320 0.004 0.000 0.219 722 A C 1.439 179.041 177.584 0.031 0.000 1.158 722 A CA 1.552 53.604 52.037 0.026 0.000 0.661 722 A CB -0.493 18.519 19.000 0.020 0.000 0.801 722 A HN 0.840 nan 8.150 nan 0.000 0.452 723 D N -1.164 119.249 120.400 0.022 0.000 2.340 723 D HA 0.347 4.990 4.640 0.004 0.000 0.217 723 D C 0.927 177.251 176.300 0.039 0.000 1.081 723 D CA 0.739 54.755 54.000 0.026 0.000 0.842 723 D CB -0.035 40.770 40.800 0.008 0.000 0.934 723 D HN 0.277 nan 8.370 nan 0.000 0.511 724 A N 0.031 122.882 122.820 0.052 0.000 2.390 724 A HA 0.101 4.424 4.320 0.004 0.000 0.232 724 A C 1.922 179.605 177.584 0.165 0.000 1.233 724 A CA 0.178 52.260 52.037 0.076 0.000 0.907 724 A CB 0.008 19.029 19.000 0.035 0.000 0.967 724 A HN 0.138 nan 8.150 nan 0.000 0.512 725 Q N 0.925 120.821 119.800 0.159 0.000 2.079 725 Q HA -0.156 4.186 4.340 0.004 0.000 0.200 725 Q C 1.659 177.815 176.000 0.259 0.000 0.974 725 Q CA 2.280 58.210 55.803 0.212 0.000 0.840 725 Q CB -0.251 28.604 28.738 0.195 0.000 0.898 725 Q HN 0.665 nan 8.270 nan 0.000 0.430 726 E N 0.216 120.558 120.200 0.237 0.000 2.051 726 E HA -0.223 4.130 4.350 0.004 0.000 0.192 726 E C 1.911 178.610 176.600 0.165 0.000 0.991 726 E CA 1.306 57.837 56.400 0.218 0.000 0.799 726 E CB -0.128 29.669 29.700 0.163 0.000 0.748 726 E HN 0.392 nan 8.360 nan 0.000 0.449 727 K N 0.450 120.944 120.400 0.157 0.000 2.032 727 K HA -0.212 4.111 4.320 0.004 0.000 0.209 727 K C 2.100 178.838 176.600 0.230 0.000 1.048 727 K CA 1.396 57.776 56.287 0.155 0.000 0.927 727 K CB -0.339 32.224 32.500 0.106 0.000 0.712 727 K HN 0.020 nan 8.250 nan 0.000 0.441 728 F N 1.290 121.361 119.950 0.202 0.000 2.065 728 F HA -0.240 4.290 4.527 0.004 0.000 0.298 728 F C 1.805 177.670 175.800 0.108 0.000 1.112 728 F CA 1.607 59.717 58.000 0.183 0.000 1.212 728 F CB -0.604 38.467 39.000 0.118 0.000 0.975 728 F HN -0.161 nan 8.300 nan 0.000 0.476 729 V N 1.042 120.870 119.914 -0.143 0.000 2.332 729 V HA -0.282 3.840 4.120 0.004 0.000 0.248 729 V C 2.636 178.659 176.094 -0.118 0.000 1.055 729 V CA 2.081 64.254 62.300 -0.211 0.000 1.038 729 V CB -0.642 31.127 31.823 -0.090 0.000 0.651 729 V HN 0.280 nan 8.190 nan 0.000 0.450 730 R N -0.115 120.365 120.500 -0.033 0.000 2.075 730 R HA -0.048 4.295 4.340 0.004 0.000 0.226 730 R C 1.963 178.251 176.300 -0.019 0.000 1.114 730 R CA 1.172 57.273 56.100 0.002 0.000 0.972 730 R CB -0.959 29.365 30.300 0.039 0.000 0.869 730 R HN 0.490 nan 8.270 nan 0.000 0.437 731 D N 0.389 120.777 120.400 -0.020 0.000 2.117 731 D HA -0.155 4.487 4.640 0.004 0.000 0.197 731 D C 1.643 177.866 176.300 -0.128 0.000 0.987 731 D CA 0.849 54.832 54.000 -0.028 0.000 0.829 731 D CB -0.335 40.514 40.800 0.081 0.000 0.961 731 D HN 0.095 nan 8.370 nan 0.000 0.460 732 F N 1.166 120.886 119.950 -0.383 0.000 2.102 732 F HA -0.203 4.326 4.527 0.003 0.000 0.298 732 F C 2.231 177.947 175.800 -0.140 0.000 1.105 732 F CA 1.023 58.799 58.000 -0.374 0.000 1.239 732 F CB -0.302 38.274 39.000 -0.707 0.000 0.991 732 F HN -0.213 nan 8.300 nan 0.000 0.474 733 V N 0.596 120.483 119.914 -0.044 0.000 2.332 733 V HA -0.349 3.774 4.120 0.004 0.000 0.248 733 V C 2.711 178.791 176.094 -0.023 0.000 1.055 733 V CA 1.808 64.110 62.300 0.003 0.000 1.038 733 V CB -1.531 30.323 31.823 0.052 0.000 0.651 733 V HN 0.514 nan 8.190 nan 0.000 0.450 734 A N -0.555 122.231 122.820 -0.056 0.000 1.877 734 A HA -0.199 4.124 4.320 0.004 0.000 0.216 734 A C 2.477 180.005 177.584 -0.094 0.000 1.186 734 A CA 2.226 54.230 52.037 -0.054 0.000 0.620 734 A CB -0.796 18.181 19.000 -0.039 0.000 0.822 734 A HN 0.381 nan 8.150 nan 0.000 0.443 735 V N -0.658 119.159 119.914 -0.161 0.000 2.453 735 V HA -0.171 3.952 4.120 0.004 0.000 0.247 735 V C 2.040 178.015 176.094 -0.198 0.000 1.048 735 V CA 1.895 64.085 62.300 -0.183 0.000 1.049 735 V CB -0.500 31.204 31.823 -0.199 0.000 0.672 735 V HN 0.784 nan 8.190 nan 0.000 0.457 736 W N 1.267 122.269 121.300 -0.496 0.000 2.317 736 W HA -0.324 4.338 4.660 0.003 0.000 0.318 736 W C 2.241 178.646 176.519 -0.189 0.000 1.227 736 W CA 2.420 59.537 57.345 -0.379 0.000 1.269 736 W CB -0.609 28.558 29.460 -0.488 0.000 1.155 736 W HN 0.526 nan 8.180 nan 0.000 0.484 737 N N 0.848 119.497 118.700 -0.086 0.000 2.188 737 N HA -0.242 4.501 4.740 0.004 0.000 0.184 737 N C 1.954 177.334 175.510 -0.217 0.000 1.018 737 N CA 2.330 55.300 53.050 -0.133 0.000 0.858 737 N CB -0.675 37.807 38.487 -0.009 0.000 0.989 737 N HN 0.134 nan 8.380 nan 0.000 0.426 738 K N 0.020 120.304 120.400 -0.193 0.000 2.044 738 K HA -0.134 4.188 4.320 0.004 0.000 0.210 738 K C 1.622 178.045 176.600 -0.294 0.000 1.049 738 K CA 1.694 57.853 56.287 -0.214 0.000 0.927 738 K CB -0.232 32.173 32.500 -0.159 0.000 0.713 738 K HN 0.076 nan 8.250 nan 0.000 0.443 739 V N 1.310 121.027 119.914 -0.328 0.000 2.427 739 V HA -0.248 3.875 4.120 0.004 0.000 0.248 739 V C 2.468 178.278 176.094 -0.474 0.000 1.051 739 V CA 1.423 63.487 62.300 -0.392 0.000 1.048 739 V CB -0.391 31.219 31.823 -0.356 0.000 0.666 739 V HN 0.406 nan 8.190 nan 0.000 0.456 740 M N 0.371 119.654 119.600 -0.528 0.000 2.279 740 M HA -0.082 4.401 4.480 0.004 0.000 0.264 740 M C 1.335 177.422 176.300 -0.354 0.000 1.062 740 M CA 1.399 56.427 55.300 -0.452 0.000 1.099 740 M CB -1.233 31.121 32.600 -0.410 0.000 1.394 740 M HN 0.380 nan 8.290 nan 0.000 0.426 741 N N -0.252 118.230 118.700 -0.364 0.000 2.214 741 N HA 0.206 4.948 4.740 0.004 0.000 0.214 741 N C 1.430 176.641 175.510 -0.498 0.000 1.132 741 N CA 0.059 52.888 53.050 -0.368 0.000 0.856 741 N CB 0.214 38.517 38.487 -0.308 0.000 1.020 741 N HN 0.318 nan 8.380 nan 0.000 0.509 742 L N 0.667 121.532 121.223 -0.597 0.000 2.131 742 L HA -0.165 4.177 4.340 0.004 0.000 0.210 742 L C 1.329 177.446 176.870 -1.256 0.000 1.092 742 L CA 1.280 55.557 54.840 -0.938 0.000 0.759 742 L CB -0.102 41.277 42.059 -1.133 0.000 0.903 742 L HN 0.127 nan 8.230 nan 0.000 0.435 743 D N -1.605 118.296 120.400 -0.832 0.000 2.342 743 D HA -0.068 4.575 4.640 0.004 0.000 0.221 743 D C 0.803 176.838 176.300 -0.442 0.000 1.101 743 D CA -0.050 53.684 54.000 -0.442 0.000 0.837 743 D CB -0.022 40.786 40.800 0.012 0.000 0.938 743 D HN 0.001 nan 8.370 nan 0.000 0.508 744 R N 0.870 120.998 120.500 -0.619 0.000 4.496 744 R HA 0.183 4.525 4.340 0.004 0.000 0.211 744 R C 0.051 176.099 176.300 -0.420 0.000 1.738 744 R CA -0.349 55.510 56.100 -0.400 0.000 1.528 744 R CB -1.183 28.916 30.300 -0.335 0.000 1.414 744 R HN 0.240 nan 8.270 nan 0.000 0.812 745 F N 0.653 120.552 119.950 -0.086 0.000 2.661 745 F HA -0.111 4.418 4.527 0.003 0.000 0.298 745 F C 2.058 177.822 175.800 -0.059 0.000 1.137 745 F CA 0.652 58.618 58.000 -0.057 0.000 1.454 745 F CB 0.090 39.074 39.000 -0.026 0.000 1.103 745 F HN 0.267 nan 8.300 nan 0.000 0.577 746 D N 0.768 121.203 120.400 0.059 0.000 2.263 746 D HA -0.184 4.458 4.640 0.004 0.000 0.208 746 D C 1.737 178.016 176.300 -0.035 0.000 0.971 746 D CA 1.204 55.204 54.000 -0.000 0.000 0.867 746 D CB -0.491 40.289 40.800 -0.033 0.000 0.929 746 D HN 0.346 nan 8.370 nan 0.000 0.492 747 L N 0.032 121.213 121.223 -0.071 0.000 2.416 747 L HA 0.269 4.611 4.340 0.004 0.000 0.216 747 L C 1.727 178.558 176.870 -0.064 0.000 1.098 747 L CA -0.084 54.704 54.840 -0.087 0.000 0.840 747 L CB -0.156 41.820 42.059 -0.138 0.000 0.981 747 L HN -0.018 nan 8.230 nan 0.000 0.462 748 A N 0.000 122.795 122.820 -0.042 0.000 2.254 748 A HA 0.000 4.323 4.320 0.004 0.000 0.244 748 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 748 A CB 0.000 19.039 19.000 0.065 0.000 0.831 748 A HN 0.000 nan 8.150 nan 0.000 0.486