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 1hj3_1_B DATA FIRST_RESID 26 DATA SEQUENCE EPSLDNLAQQ DVAAPGAPEG VSALSDAQYN EANKIYFERC AGCHGVLRKG DATA SEQUENCE ATGKALTPDL TRDLGFDYLQ SFITYGSPAG MPNWGTSGEL SAEQVDLMAN DATA SEQUENCE YLLLDPAAPP EFGMKEMRES WKVHVAPEDR PTQQENDWDL ENLFSVTLRD DATA SEQUENCE AGQIALIDGA TYEIKSVLDT GYAVHISRLS ASGRYLFVIG RDGKVNMIDL DATA SEQUENCE WMKEPTTVAE IKIGSEARSI ETSKMEGWED KYAIAGAYWP PQYVIMDGET DATA SEQUENCE LEPKKIQSTR GMTYDEQEYH PEPRVAAILA SHYRPEFIVN VKETGKILLV DATA SEQUENCE DYTDLDNLKT TEISAERFLH DGGLDGSHRY FITAANARNK LVVIDTKEGK DATA SEQUENCE LVAIEDTGGQ TPHPGRGANF VHPTFGPVWA TSHMGDDSVA LIGTDPEGHP DATA SEQUENCE DNAWKILDSF PALGGGSLFI KTHPNSQYLY VDATLNPEAE ISGSVAVFDI DATA SEQUENCE KAMTGDGSDP EFKTLPIAEW AGITEGQPRV VQGEFNKDGT EVWFSVWNGK DATA SEQUENCE DQESALVVVD DKTLELKHVI KDERLVTPTG KFNVYNTMTD TY 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 26 E HA 0.000 nan 4.350 nan 0.000 0.291 26 E C 0.000 176.674 176.600 0.123 0.000 1.382 26 E CA 0.000 56.436 56.400 0.060 0.000 0.976 26 E CB 0.000 29.716 29.700 0.027 0.000 0.812 27 P HA 0.220 nan 4.420 nan 0.000 0.272 27 P C -0.581 176.831 177.300 0.187 0.000 1.240 27 P CA -0.345 62.900 63.100 0.243 0.000 0.791 27 P CB 0.675 32.629 31.700 0.423 0.000 0.978 28 S N 0.645 116.459 115.700 0.189 0.000 2.640 28 S HA 0.376 4.845 4.470 -0.001 0.000 0.320 28 S C -0.446 174.249 174.600 0.159 0.000 1.097 28 S CA -0.727 57.567 58.200 0.157 0.000 1.092 28 S CB -0.382 62.912 63.200 0.156 0.000 0.988 28 S HN 0.239 nan 8.310 nan 0.000 0.470 29 L N 5.850 127.164 121.223 0.153 0.000 2.480 29 L HA 0.304 4.644 4.340 -0.001 0.000 0.243 29 L C 1.257 178.200 176.870 0.122 0.000 1.315 29 L CA -0.022 54.909 54.840 0.151 0.000 1.231 29 L CB 0.055 42.221 42.059 0.178 0.000 1.444 29 L HN 0.667 nan 8.230 nan 0.000 0.409 30 D N -1.354 119.109 120.400 0.107 0.000 2.336 30 D HA -0.118 4.521 4.640 -0.001 0.000 0.229 30 D C 0.993 177.318 176.300 0.042 0.000 1.061 30 D CA 0.220 54.267 54.000 0.078 0.000 0.875 30 D CB 0.145 40.993 40.800 0.080 0.000 0.904 30 D HN 0.542 nan 8.370 nan 0.000 0.525 31 N N 0.448 119.168 118.700 0.033 0.000 2.415 31 N HA 0.035 4.775 4.740 -0.001 0.000 0.174 31 N C 1.781 177.266 175.510 -0.042 0.000 1.048 31 N CA -0.155 52.897 53.050 0.003 0.000 0.895 31 N CB 0.404 38.901 38.487 0.017 0.000 1.036 31 N HN 0.119 nan 8.380 nan 0.000 0.449 32 L N 0.798 121.955 121.223 -0.109 0.000 2.313 32 L HA 0.076 4.415 4.340 -0.001 0.000 0.214 32 L C 2.433 179.143 176.870 -0.267 0.000 1.119 32 L CA 0.465 55.112 54.840 -0.322 0.000 0.809 32 L CB -0.179 41.435 42.059 -0.743 0.000 0.933 32 L HN 0.142 nan 8.230 nan 0.000 0.449 33 A N 0.403 123.208 122.820 -0.024 0.000 2.015 33 A HA -0.225 4.095 4.320 -0.001 0.000 0.219 33 A C 2.219 179.844 177.584 0.069 0.000 1.163 33 A CA 1.431 53.546 52.037 0.131 0.000 0.646 33 A CB -0.379 18.698 19.000 0.129 0.000 0.806 33 A HN 0.634 nan 8.150 nan 0.000 0.448 34 Q N -0.336 119.477 119.800 0.022 0.000 2.369 34 Q HA -0.071 4.268 4.340 -0.001 0.000 0.206 34 Q C 1.146 177.165 176.000 0.032 0.000 0.963 34 Q CA 0.610 56.426 55.803 0.022 0.000 0.894 34 Q CB -0.395 28.347 28.738 0.007 0.000 0.965 34 Q HN 0.727 nan 8.270 nan 0.000 0.475 35 Q N 1.820 121.633 119.800 0.023 0.000 2.289 35 Q HA -0.004 4.336 4.340 -0.001 0.000 0.273 35 Q C -1.288 174.759 176.000 0.078 0.000 1.029 35 Q CA 0.005 55.831 55.803 0.040 0.000 0.896 35 Q CB 0.667 29.409 28.738 0.008 0.000 1.182 35 Q HN 0.148 nan 8.270 nan 0.000 0.385 36 D N 3.209 123.658 120.400 0.081 0.000 2.280 36 D HA 0.320 4.960 4.640 -0.001 0.000 0.243 36 D C -0.697 175.675 176.300 0.120 0.000 1.129 36 D CA -0.431 53.628 54.000 0.099 0.000 0.848 36 D CB 1.026 41.873 40.800 0.077 0.000 1.107 36 D HN 0.372 nan 8.370 nan 0.000 0.471 37 V N 0.986 121.003 119.914 0.171 0.000 2.994 37 V HA 0.941 5.060 4.120 -0.001 0.000 0.318 37 V C 0.053 176.252 176.094 0.174 0.000 1.085 37 V CA -1.104 61.309 62.300 0.188 0.000 0.998 37 V CB 1.345 33.338 31.823 0.284 0.000 1.063 37 V HN 0.598 nan 8.190 nan 0.000 0.447 38 A N 1.338 124.218 122.820 0.099 0.000 2.293 38 A HA 0.867 5.187 4.320 -0.001 0.000 0.302 38 A C 0.506 178.029 177.584 -0.103 0.000 1.119 38 A CA -0.207 51.846 52.037 0.027 0.000 0.823 38 A CB 0.679 19.676 19.000 -0.006 0.000 1.097 38 A HN 2.194 nan 8.150 nan 0.000 0.491 39 A N 3.105 125.838 122.820 -0.145 0.000 2.451 39 A HA 0.558 4.878 4.320 -0.001 0.000 0.266 39 A C -1.654 175.696 177.584 -0.391 0.000 1.119 39 A CA -1.032 50.771 52.037 -0.390 0.000 0.786 39 A CB -0.682 18.233 19.000 -0.142 0.000 1.061 39 A HN 0.701 nan 8.150 nan 0.000 0.503 40 P HA 0.334 nan 4.420 nan 0.000 0.275 40 P C 0.480 177.644 177.300 -0.228 0.000 1.266 40 P CA -0.092 62.799 63.100 -0.349 0.000 0.793 40 P CB 0.539 32.007 31.700 -0.387 0.000 1.074 41 G N -1.133 107.577 108.800 -0.150 0.000 2.537 41 G HA2 0.520 4.479 3.960 -0.001 0.000 0.273 41 G HA3 0.520 4.479 3.960 -0.001 0.000 0.273 41 G C -1.008 173.837 174.900 -0.091 0.000 1.189 41 G CA -0.455 44.584 45.100 -0.101 0.000 0.881 41 G HN 0.646 nan 8.290 nan 0.000 0.535 42 A N 1.832 124.613 122.820 -0.065 0.000 2.319 42 A HA 0.770 5.089 4.320 -0.001 0.000 0.310 42 A C -1.767 175.793 177.584 -0.040 0.000 1.152 42 A CA -1.204 50.803 52.037 -0.050 0.000 0.783 42 A CB 1.123 20.100 19.000 -0.038 0.000 1.184 42 A HN 0.617 nan 8.150 nan 0.000 0.474 43 P HA 0.145 nan 4.420 nan 0.000 0.274 43 P C -0.167 177.117 177.300 -0.025 0.000 1.260 43 P CA -0.465 62.617 63.100 -0.031 0.000 0.793 43 P CB 0.464 32.145 31.700 -0.031 0.000 1.048 44 E N -0.529 119.658 120.200 -0.022 0.000 2.480 44 E HA 0.239 4.589 4.350 -0.001 0.000 0.258 44 E C 0.823 177.414 176.600 -0.016 0.000 0.984 44 E CA 0.842 57.231 56.400 -0.018 0.000 0.930 44 E CB -0.698 28.993 29.700 -0.016 0.000 0.936 44 E HN 0.768 nan 8.360 nan 0.000 0.466 45 G N 2.532 111.323 108.800 -0.016 0.000 2.144 45 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.218 45 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.218 45 G C -0.314 174.578 174.900 -0.012 0.000 0.988 45 G CA -0.027 45.066 45.100 -0.013 0.000 0.659 45 G HN 0.520 nan 8.290 nan 0.000 0.522 46 V N 0.555 120.458 119.914 -0.018 0.000 2.841 46 V HA 0.709 4.828 4.120 -0.001 0.000 0.310 46 V C 0.388 176.466 176.094 -0.027 0.000 1.090 46 V CA -0.390 61.900 62.300 -0.017 0.000 0.930 46 V CB 2.021 33.837 31.823 -0.011 0.000 1.014 46 V HN 0.371 nan 8.190 nan 0.000 0.425 47 S N 2.316 117.995 115.700 -0.035 0.000 2.601 47 S HA 0.741 5.210 4.470 -0.001 0.000 0.271 47 S C 0.258 174.850 174.600 -0.014 0.000 1.305 47 S CA -0.196 57.983 58.200 -0.035 0.000 1.022 47 S CB 1.567 64.732 63.200 -0.058 0.000 0.940 47 S HN 1.119 nan 8.310 nan 0.000 0.525 48 A N 2.127 124.939 122.820 -0.013 0.000 2.293 48 A HA 0.700 5.020 4.320 -0.001 0.000 0.302 48 A C -0.383 177.216 177.584 0.025 0.000 1.119 48 A CA -0.641 51.393 52.037 -0.004 0.000 0.823 48 A CB 0.182 19.168 19.000 -0.023 0.000 1.097 48 A HN 0.787 nan 8.150 nan 0.000 0.491 49 L N 1.414 122.676 121.223 0.064 0.000 2.344 49 L HA 0.420 4.759 4.340 -0.001 0.000 0.272 49 L C 1.102 178.025 176.870 0.089 0.000 1.035 49 L CA -0.619 54.285 54.840 0.107 0.000 0.807 49 L CB 1.902 44.091 42.059 0.217 0.000 1.237 49 L HN 0.962 nan 8.230 nan 0.000 0.442 50 S N -0.262 115.487 115.700 0.080 0.000 2.606 50 S HA 0.033 4.502 4.470 -0.001 0.000 0.257 50 S C 0.605 175.266 174.600 0.101 0.000 1.327 50 S CA -0.528 57.711 58.200 0.064 0.000 0.984 50 S CB 0.788 64.019 63.200 0.051 0.000 0.941 50 S HN 0.613 nan 8.310 nan 0.000 0.576 51 D N 1.269 121.715 120.400 0.075 0.000 2.092 51 D HA -0.086 4.554 4.640 -0.001 0.000 0.193 51 D C 2.300 178.677 176.300 0.129 0.000 0.994 51 D CA 1.992 56.052 54.000 0.098 0.000 0.828 51 D CB -1.041 39.797 40.800 0.062 0.000 0.963 51 D HN 0.696 nan 8.370 nan 0.000 0.450 52 A N 0.825 123.698 122.820 0.088 0.000 1.877 52 A HA -0.250 4.069 4.320 -0.001 0.000 0.216 52 A C 2.166 179.797 177.584 0.077 0.000 1.186 52 A CA 1.739 53.820 52.037 0.073 0.000 0.620 52 A CB -0.735 18.294 19.000 0.049 0.000 0.822 52 A HN 0.249 nan 8.150 nan 0.000 0.443 53 Q N -2.140 117.711 119.800 0.086 0.000 2.050 53 Q HA -0.214 4.125 4.340 -0.001 0.000 0.202 53 Q C 2.057 178.114 176.000 0.095 0.000 0.980 53 Q CA 1.900 57.749 55.803 0.077 0.000 0.840 53 Q CB -0.360 28.429 28.738 0.084 0.000 0.898 53 Q HN 0.820 nan 8.270 nan 0.000 0.424 54 Y N 1.657 121.995 120.300 0.064 0.000 2.181 54 Y HA -0.212 4.338 4.550 -0.001 0.000 0.288 54 Y C 1.952 177.913 175.900 0.101 0.000 1.146 54 Y CA 1.384 59.552 58.100 0.113 0.000 1.164 54 Y CB -0.071 38.452 38.460 0.105 0.000 0.982 54 Y HN 0.128 nan 8.280 nan 0.000 0.515 55 N N 0.378 119.176 118.700 0.163 0.000 2.120 55 N HA -0.220 4.519 4.740 -0.001 0.000 0.188 55 N C 1.893 177.386 175.510 -0.028 0.000 1.024 55 N CA 1.590 54.693 53.050 0.088 0.000 0.852 55 N CB -0.344 38.213 38.487 0.116 0.000 1.003 55 N HN 0.586 nan 8.380 nan 0.000 0.424 56 E N 0.761 120.939 120.200 -0.037 0.000 2.110 56 E HA -0.111 4.238 4.350 -0.001 0.000 0.193 56 E C 1.781 178.272 176.600 -0.181 0.000 0.988 56 E CA 1.011 57.365 56.400 -0.077 0.000 0.804 56 E CB 0.035 29.708 29.700 -0.045 0.000 0.745 56 E HN 0.307 nan 8.360 nan 0.000 0.458 57 A N 1.209 123.864 122.820 -0.274 0.000 1.929 57 A HA -0.176 4.143 4.320 -0.001 0.000 0.216 57 A C 2.036 179.108 177.584 -0.852 0.000 1.176 57 A CA 1.307 53.032 52.037 -0.520 0.000 0.628 57 A CB -0.693 18.008 19.000 -0.499 0.000 0.816 57 A HN 0.368 nan 8.150 nan 0.000 0.444 58 N N -0.137 118.156 118.700 -0.678 0.000 2.084 58 N HA -0.176 4.563 4.740 -0.001 0.000 0.190 58 N C 1.662 177.051 175.510 -0.201 0.000 1.030 58 N CA 1.578 54.343 53.050 -0.474 0.000 0.849 58 N CB -0.116 38.328 38.487 -0.072 0.000 1.012 58 N HN 0.508 nan 8.380 nan 0.000 0.423 59 K N 0.623 120.963 120.400 -0.101 0.000 2.026 59 K HA -0.072 4.248 4.320 -0.001 0.000 0.208 59 K C 2.189 178.734 176.600 -0.092 0.000 1.048 59 K CA 1.141 57.423 56.287 -0.008 0.000 0.929 59 K CB -0.092 32.398 32.500 -0.016 0.000 0.713 59 K HN 0.226 nan 8.250 nan 0.000 0.439 60 I N -0.035 120.406 120.570 -0.215 0.000 2.226 60 I HA -0.311 3.859 4.170 -0.001 0.000 0.245 60 I C 2.309 178.209 176.117 -0.361 0.000 1.100 60 I CA 1.240 62.376 61.300 -0.275 0.000 1.374 60 I CB -0.297 37.510 38.000 -0.321 0.000 1.057 60 I HN 0.151 nan 8.210 nan 0.000 0.413 61 Y N 1.139 121.086 120.300 -0.589 0.000 2.165 61 Y HA -0.303 4.246 4.550 -0.001 0.000 0.286 61 Y C 2.186 177.801 175.900 -0.474 0.000 1.155 61 Y CA 1.799 59.510 58.100 -0.647 0.000 1.164 61 Y CB -0.327 37.582 38.460 -0.918 0.000 0.978 61 Y HN -0.008 nan 8.280 nan 0.000 0.513 62 F N 0.125 119.979 119.950 -0.159 0.000 2.234 62 F HA -0.048 4.478 4.527 -0.001 0.000 0.296 62 F C 2.315 178.031 175.800 -0.141 0.000 1.089 62 F CA 1.406 59.327 58.000 -0.131 0.000 1.343 62 F CB -0.682 38.303 39.000 -0.026 0.000 1.040 62 F HN 0.053 nan 8.300 nan 0.000 0.498 63 E N -0.151 120.064 120.200 0.024 0.000 2.106 63 E HA -0.127 4.222 4.350 -0.001 0.000 0.192 63 E C 1.902 178.482 176.600 -0.033 0.000 0.984 63 E CA 1.057 57.462 56.400 0.009 0.000 0.806 63 E CB -0.029 29.667 29.700 -0.007 0.000 0.750 63 E HN 0.373 nan 8.360 nan 0.000 0.458 64 R N -1.535 118.867 120.500 -0.163 0.000 2.394 64 R HA 0.200 4.539 4.340 -0.001 0.000 0.220 64 R C 1.528 177.691 176.300 -0.227 0.000 0.887 64 R CA 0.063 56.060 56.100 -0.171 0.000 1.034 64 R CB 0.655 30.710 30.300 -0.408 0.000 1.179 64 R HN 0.125 nan 8.270 nan 0.000 0.561 65 C N -1.038 118.006 119.300 -0.426 0.000 2.735 65 C HA 0.372 4.831 4.460 -0.001 0.000 0.444 65 C C 2.469 177.200 174.990 -0.431 0.000 1.331 65 C CA 0.119 58.861 59.018 -0.460 0.000 2.225 65 C CB 0.286 27.504 27.740 -0.870 0.000 2.917 65 C HN 0.491 nan 8.230 nan 0.000 0.567 66 A N 1.599 124.076 122.820 -0.573 0.000 2.019 66 A HA 0.137 4.457 4.320 -0.001 0.000 0.219 66 A C 2.247 179.831 177.584 -0.001 0.000 1.164 66 A CA 1.997 53.897 52.037 -0.228 0.000 0.644 66 A CB -1.124 17.882 19.000 0.011 0.000 0.805 66 A HN 0.556 nan 8.150 nan 0.000 0.449 67 G N -0.598 108.206 108.800 0.007 0.000 2.491 67 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.218 67 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.218 67 G C 1.572 176.483 174.900 0.019 0.000 1.180 67 G CA 1.503 46.638 45.100 0.058 0.000 0.774 67 G HN 0.537 nan 8.290 nan 0.000 0.562 68 C N -0.869 118.403 119.300 -0.047 0.000 2.492 68 C HA 0.213 4.672 4.460 -0.001 0.000 0.279 68 C C 2.325 177.194 174.990 -0.201 0.000 1.335 68 C CA 0.338 59.266 59.018 -0.151 0.000 1.734 68 C CB -0.797 26.782 27.740 -0.267 0.000 2.027 68 C HN 0.494 nan 8.230 nan 0.000 0.496 69 H N 0.322 119.425 119.070 0.054 0.000 2.563 69 H HA 0.278 4.834 4.556 -0.001 0.000 0.264 69 H C 1.355 176.773 175.328 0.151 0.000 0.957 69 H CA 1.221 57.334 56.048 0.107 0.000 1.173 69 H CB -0.006 29.847 29.762 0.150 0.000 1.420 69 H HN 0.549 nan 8.280 nan 0.000 0.551 70 G N 0.199 109.130 108.800 0.219 0.000 2.719 70 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.686 70 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.686 70 G C 0.824 175.886 174.900 0.270 0.000 1.201 70 G CA -0.154 45.078 45.100 0.220 0.000 0.768 70 G HN 0.096 nan 8.290 nan 0.000 0.629 71 V N 1.867 121.908 119.914 0.211 0.000 2.332 71 V HA -0.156 3.964 4.120 -0.001 0.000 0.248 71 V C 2.724 178.910 176.094 0.153 0.000 1.055 71 V CA 2.498 64.918 62.300 0.199 0.000 1.038 71 V CB -0.514 31.145 31.823 -0.273 0.000 0.651 71 V HN 0.572 nan 8.190 nan 0.000 0.450 72 L N -0.475 120.792 121.223 0.074 0.000 2.612 72 L HA 0.216 4.555 4.340 -0.001 0.000 0.230 72 L C 1.102 178.006 176.870 0.057 0.000 1.140 72 L CA 0.113 54.988 54.840 0.057 0.000 0.896 72 L CB -0.228 41.892 42.059 0.101 0.000 1.065 72 L HN 0.333 nan 8.230 nan 0.000 0.447 73 R N -1.068 119.502 120.500 0.116 0.000 3.875 73 R HA -0.224 4.115 4.340 -0.001 0.000 0.321 73 R C 0.903 177.253 176.300 0.083 0.000 1.196 73 R CA 0.498 56.662 56.100 0.106 0.000 0.868 73 R CB -1.681 28.582 30.300 -0.062 0.000 1.333 73 R HN 0.192 nan 8.270 nan 0.000 0.522 74 K N 0.811 121.263 120.400 0.087 0.000 2.418 74 K HA 0.115 4.434 4.320 -0.001 0.000 0.195 74 K C 0.839 177.481 176.600 0.070 0.000 1.035 74 K CA 1.072 57.382 56.287 0.038 0.000 1.003 74 K CB 0.590 33.069 32.500 -0.035 0.000 0.793 74 K HN 0.581 nan 8.250 nan 0.000 0.494 75 G N -0.923 107.965 108.800 0.147 0.000 3.039 75 G HA2 0.111 4.071 3.960 -0.001 0.000 0.686 75 G HA3 0.111 4.071 3.960 -0.001 0.000 0.686 75 G C 0.009 175.019 174.900 0.184 0.000 1.066 75 G CA -0.442 44.762 45.100 0.173 0.000 0.774 75 G HN 0.264 nan 8.290 nan 0.000 0.591 76 A N 1.371 124.286 122.820 0.158 0.000 1.962 76 A HA 0.752 5.071 4.320 -0.001 0.000 0.202 76 A C 2.071 179.757 177.584 0.169 0.000 2.303 76 A CA 1.616 53.769 52.037 0.193 0.000 1.341 76 A CB -0.323 18.759 19.000 0.135 0.000 1.044 76 A HN 1.327 nan 8.150 nan 0.000 0.583 77 T N 0.430 115.009 114.554 0.040 0.000 3.044 77 T HA 0.292 4.642 4.350 -0.001 0.000 0.255 77 T C 0.985 175.643 174.700 -0.070 0.000 1.073 77 T CA 0.773 62.845 62.100 -0.047 0.000 1.125 77 T CB -0.137 68.674 68.868 -0.094 0.000 0.908 77 T HN 0.622 nan 8.240 nan 0.000 0.480 78 G N 1.126 109.834 108.800 -0.153 0.000 2.437 78 G HA2 0.517 4.476 3.960 -0.001 0.000 0.319 78 G HA3 0.517 4.476 3.960 -0.001 0.000 0.319 78 G C -0.470 174.464 174.900 0.057 0.000 1.158 78 G CA -0.679 44.286 45.100 -0.225 0.000 0.899 78 G HN 0.194 nan 8.290 nan 0.000 0.502 79 K N -0.055 120.449 120.400 0.173 0.000 2.286 79 K HA 0.324 4.644 4.320 -0.001 0.000 0.256 79 K C 0.766 177.499 176.600 0.222 0.000 0.999 79 K CA 0.011 56.394 56.287 0.160 0.000 0.908 79 K CB 0.573 33.124 32.500 0.084 0.000 0.981 79 K HN 0.558 nan 8.250 nan 0.000 0.500 80 A N 1.960 124.850 122.820 0.116 0.000 2.462 80 A HA 0.148 4.468 4.320 -0.001 0.000 0.243 80 A C 0.349 177.947 177.584 0.023 0.000 1.076 80 A CA 0.016 52.102 52.037 0.082 0.000 0.773 80 A CB -0.140 18.882 19.000 0.035 0.000 1.010 80 A HN 0.679 nan 8.150 nan 0.000 0.493 81 L N 2.694 123.913 121.223 -0.006 0.000 3.218 81 L HA 0.147 4.486 4.340 -0.001 0.000 0.279 81 L C 0.676 177.488 176.870 -0.097 0.000 1.287 81 L CA -0.242 54.547 54.840 -0.085 0.000 1.024 81 L CB -0.118 41.844 42.059 -0.162 0.000 1.409 81 L HN 0.887 nan 8.230 nan 0.000 0.580 82 T N -3.745 110.770 114.554 -0.066 0.000 2.898 82 T HA 0.173 4.523 4.350 -0.001 0.000 0.301 82 T C -1.714 172.940 174.700 -0.077 0.000 1.049 82 T CA -1.366 60.689 62.100 -0.074 0.000 1.095 82 T CB 1.043 69.884 68.868 -0.045 0.000 0.976 82 T HN -0.116 nan 8.240 nan 0.000 0.539 83 P HA -0.158 nan 4.420 nan 0.000 0.216 83 P C 1.391 178.659 177.300 -0.053 0.000 1.150 83 P CA 1.296 64.353 63.100 -0.073 0.000 0.843 83 P CB -0.052 31.602 31.700 -0.076 0.000 0.787 84 D N -0.329 120.043 120.400 -0.046 0.000 2.149 84 D HA -0.167 4.473 4.640 -0.001 0.000 0.198 84 D C 1.857 178.131 176.300 -0.043 0.000 0.990 84 D CA 1.336 55.313 54.000 -0.038 0.000 0.839 84 D CB -1.186 39.595 40.800 -0.031 0.000 0.948 84 D HN 0.228 nan 8.370 nan 0.000 0.460 85 L N 0.433 121.626 121.223 -0.049 0.000 2.127 85 L HA -0.015 4.324 4.340 -0.001 0.000 0.203 85 L C 2.811 179.637 176.870 -0.073 0.000 1.080 85 L CA 1.406 56.210 54.840 -0.059 0.000 0.768 85 L CB -0.732 41.294 42.059 -0.055 0.000 0.924 85 L HN 0.176 nan 8.230 nan 0.000 0.444 86 T N -2.477 112.039 114.554 -0.063 0.000 2.867 86 T HA -0.154 4.195 4.350 -0.001 0.000 0.268 86 T C 1.989 176.670 174.700 -0.032 0.000 1.057 86 T CA 0.743 62.812 62.100 -0.052 0.000 1.136 86 T CB -0.235 68.605 68.868 -0.047 0.000 0.874 86 T HN 0.210 nan 8.240 nan 0.000 0.466 87 R N 1.086 121.569 120.500 -0.029 0.000 2.115 87 R HA -0.001 4.339 4.340 -0.001 0.000 0.230 87 R C 2.166 178.454 176.300 -0.020 0.000 1.111 87 R CA 1.413 57.507 56.100 -0.011 0.000 0.976 87 R CB -0.265 30.027 30.300 -0.014 0.000 0.870 87 R HN 0.385 nan 8.270 nan 0.000 0.445 88 D N 0.625 120.998 120.400 -0.046 0.000 2.144 88 D HA -0.106 4.533 4.640 -0.001 0.000 0.200 88 D C 1.874 178.118 176.300 -0.094 0.000 0.978 88 D CA 1.013 54.977 54.000 -0.060 0.000 0.833 88 D CB -0.016 40.742 40.800 -0.069 0.000 0.961 88 D HN 0.166 nan 8.370 nan 0.000 0.470 89 L N -0.208 120.929 121.223 -0.144 0.000 2.056 89 L HA 0.100 4.440 4.340 -0.001 0.000 0.207 89 L C 1.296 178.126 176.870 -0.066 0.000 1.078 89 L CA 0.774 55.454 54.840 -0.266 0.000 0.749 89 L CB -0.654 41.154 42.059 -0.418 0.000 0.901 89 L HN 0.139 nan 8.230 nan 0.000 0.433 90 G N -1.561 107.254 108.800 0.024 0.000 2.690 90 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.686 90 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.686 90 G C -0.081 174.931 174.900 0.187 0.000 1.277 90 G CA -0.114 45.055 45.100 0.114 0.000 0.799 90 G HN 0.063 nan 8.290 nan 0.000 0.613 91 F N 0.942 120.940 119.950 0.080 0.000 2.065 91 F HA -0.109 4.418 4.527 -0.001 0.000 0.298 91 F C 2.355 178.226 175.800 0.119 0.000 1.112 91 F CA 2.832 60.884 58.000 0.087 0.000 1.212 91 F CB -0.087 38.949 39.000 0.060 0.000 0.975 91 F HN 0.520 nan 8.300 nan 0.000 0.476 92 D N -0.799 119.704 120.400 0.173 0.000 2.116 92 D HA -0.273 4.367 4.640 -0.001 0.000 0.193 92 D C 2.015 178.339 176.300 0.040 0.000 0.998 92 D CA 1.862 55.910 54.000 0.079 0.000 0.836 92 D CB -0.963 39.942 40.800 0.175 0.000 0.951 92 D HN 0.478 nan 8.370 nan 0.000 0.449 93 Y N 1.213 121.520 120.300 0.011 0.000 2.181 93 Y HA -0.160 4.390 4.550 -0.001 0.000 0.288 93 Y C 2.199 178.133 175.900 0.056 0.000 1.146 93 Y CA 1.342 59.477 58.100 0.058 0.000 1.164 93 Y CB -0.302 38.202 38.460 0.073 0.000 0.982 93 Y HN -0.071 nan 8.280 nan 0.000 0.515 94 L N -0.017 121.307 121.223 0.168 0.000 2.017 94 L HA -0.252 4.088 4.340 -0.001 0.000 0.208 94 L C 2.674 179.483 176.870 -0.101 0.000 1.073 94 L CA 1.885 56.753 54.840 0.048 0.000 0.745 94 L CB -0.831 41.222 42.059 -0.011 0.000 0.894 94 L HN 0.294 nan 8.230 nan 0.000 0.432 95 Q N -0.237 119.372 119.800 -0.318 0.000 2.061 95 Q HA -0.255 4.084 4.340 -0.001 0.000 0.204 95 Q C 2.413 178.340 176.000 -0.121 0.000 0.984 95 Q CA 2.232 57.839 55.803 -0.327 0.000 0.846 95 Q CB -0.065 28.344 28.738 -0.549 0.000 0.902 95 Q HN 0.391 nan 8.270 nan 0.000 0.421 96 S N -0.686 114.980 115.700 -0.057 0.000 2.356 96 S HA -0.146 4.324 4.470 -0.001 0.000 0.223 96 S C 1.649 176.283 174.600 0.055 0.000 1.032 96 S CA 1.034 59.271 58.200 0.062 0.000 1.005 96 S CB -0.453 62.759 63.200 0.020 0.000 0.867 96 S HN 0.517 nan 8.310 nan 0.000 0.449 97 F N 1.773 121.634 119.950 -0.148 0.000 2.171 97 F HA 0.104 4.630 4.527 -0.001 0.000 0.300 97 F C 1.933 177.734 175.800 0.002 0.000 1.090 97 F CA 1.199 59.134 58.000 -0.109 0.000 1.293 97 F CB -0.261 38.626 39.000 -0.188 0.000 1.013 97 F HN 0.233 nan 8.300 nan 0.000 0.486 98 I N -1.295 119.408 120.570 0.221 0.000 2.394 98 I HA -0.262 3.907 4.170 -0.001 0.000 0.251 98 I C 2.115 178.307 176.117 0.125 0.000 1.136 98 I CA 1.355 62.782 61.300 0.211 0.000 1.425 98 I CB -0.703 37.341 38.000 0.074 0.000 1.079 98 I HN 0.066 nan 8.210 nan 0.000 0.425 99 T N -0.178 114.328 114.554 -0.080 0.000 2.732 99 T HA -0.134 4.215 4.350 -0.001 0.000 0.261 99 T C 1.535 175.951 174.700 -0.473 0.000 1.040 99 T CA 1.602 63.483 62.100 -0.365 0.000 1.145 99 T CB -0.244 68.189 68.868 -0.724 0.000 0.866 99 T HN 0.249 nan 8.240 nan 0.000 0.427 100 Y N 0.794 121.058 120.300 -0.060 0.000 2.509 100 Y HA 0.414 4.963 4.550 -0.001 0.000 0.270 100 Y C 1.840 177.647 175.900 -0.156 0.000 1.103 100 Y CA -0.110 57.919 58.100 -0.118 0.000 1.278 100 Y CB -0.440 37.921 38.460 -0.164 0.000 1.087 100 Y HN 0.420 nan 8.280 nan 0.000 0.542 101 G N 0.436 109.210 108.800 -0.045 0.000 2.601 101 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.252 101 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.252 101 G C -0.186 174.537 174.900 -0.295 0.000 1.294 101 G CA 0.025 45.090 45.100 -0.058 0.000 0.912 101 G HN 0.439 nan 8.290 nan 0.000 0.574 102 S N -0.997 114.634 115.700 -0.115 0.000 2.588 102 S HA 0.702 5.171 4.470 -0.001 0.000 0.269 102 S C -2.074 172.517 174.600 -0.015 0.000 1.157 102 S CA 0.182 58.308 58.200 -0.124 0.000 0.824 102 S CB 1.753 64.898 63.200 -0.091 0.000 1.126 102 S HN 0.584 nan 8.310 nan 0.000 0.464 103 P HA 0.177 nan 4.420 nan 0.000 0.230 103 P C 0.139 177.448 177.300 0.016 0.000 1.158 103 P CA 0.484 63.579 63.100 -0.008 0.000 0.769 103 P CB -0.015 31.675 31.700 -0.016 0.000 0.807 104 A N 0.060 122.911 122.820 0.053 0.000 3.105 104 A HA 0.544 4.863 4.320 -0.001 0.000 0.272 104 A C 1.373 178.995 177.584 0.063 0.000 1.466 104 A CA 0.178 52.251 52.037 0.060 0.000 1.101 104 A CB -1.446 17.606 19.000 0.086 0.000 1.065 104 A HN 0.231 nan 8.150 nan 0.000 0.643 105 G N -0.968 107.856 108.800 0.040 0.000 2.141 105 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.242 105 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.242 105 G C 0.045 174.979 174.900 0.056 0.000 0.982 105 G CA 0.536 45.652 45.100 0.025 0.000 0.662 105 G HN 1.068 nan 8.290 nan 0.000 0.527 106 M N 1.600 121.270 119.600 0.117 0.000 2.066 106 M HA 0.665 5.144 4.480 -0.001 0.000 0.340 106 M C -2.448 173.903 176.300 0.084 0.000 1.053 106 M CA -3.199 52.219 55.300 0.197 0.000 0.983 106 M CB 1.207 34.051 32.600 0.406 0.000 1.520 106 M HN -0.090 nan 8.290 nan 0.000 0.428 107 P HA 0.111 nan 4.420 nan 0.000 0.268 107 P C -1.005 176.046 177.300 -0.414 0.000 1.208 107 P CA 0.104 62.962 63.100 -0.404 0.000 0.777 107 P CB 0.234 31.385 31.700 -0.916 0.000 0.875 108 N N 2.061 120.538 118.700 -0.372 0.000 3.034 108 N HA 0.011 4.750 4.740 -0.001 0.000 0.265 108 N C 0.223 175.581 175.510 -0.252 0.000 1.166 108 N CA -0.393 52.525 53.050 -0.220 0.000 1.081 108 N CB -0.437 37.968 38.487 -0.136 0.000 1.378 108 N HN 0.463 nan 8.380 nan 0.000 0.520 109 W N 1.592 122.860 121.300 -0.053 0.000 2.342 109 W HA -0.008 4.652 4.660 -0.001 0.000 0.297 109 W C 2.209 178.674 176.519 -0.090 0.000 1.213 109 W CA 1.321 58.631 57.345 -0.059 0.000 1.251 109 W CB -0.341 29.092 29.460 -0.046 0.000 1.136 109 W HN 0.526 nan 8.180 nan 0.000 0.526 110 G N -0.339 108.489 108.800 0.047 0.000 2.425 110 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.213 110 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.213 110 G C 1.443 176.285 174.900 -0.098 0.000 1.201 110 G CA 1.770 46.832 45.100 -0.064 0.000 0.799 110 G HN 0.266 nan 8.290 nan 0.000 0.534 111 T N -0.271 114.192 114.554 -0.153 0.000 3.035 111 T HA -0.055 4.295 4.350 -0.001 0.000 0.268 111 T C 2.397 177.060 174.700 -0.062 0.000 1.109 111 T CA 1.712 63.755 62.100 -0.095 0.000 1.119 111 T CB -0.200 68.635 68.868 -0.056 0.000 0.900 111 T HN 0.393 nan 8.240 nan 0.000 0.503 112 S N 0.471 116.125 115.700 -0.077 0.000 2.501 112 S HA 0.412 4.881 4.470 -0.001 0.000 0.220 112 S C 2.063 176.638 174.600 -0.041 0.000 0.997 112 S CA 0.508 58.662 58.200 -0.077 0.000 0.919 112 S CB -0.599 62.519 63.200 -0.136 0.000 0.778 112 S HN 1.171 nan 8.310 nan 0.000 0.523 113 G N 1.045 109.834 108.800 -0.018 0.000 2.175 113 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.244 113 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.244 113 G C 0.594 175.518 174.900 0.040 0.000 0.982 113 G CA 0.618 45.722 45.100 0.006 0.000 0.641 113 G HN 0.518 nan 8.290 nan 0.000 0.527 114 E N -0.146 120.094 120.200 0.068 0.000 2.085 114 E HA 0.083 4.433 4.350 -0.001 0.000 0.194 114 E C 1.228 177.939 176.600 0.185 0.000 0.994 114 E CA 1.071 57.562 56.400 0.151 0.000 0.801 114 E CB -0.071 29.771 29.700 0.237 0.000 0.743 114 E HN 0.611 nan 8.360 nan 0.000 0.453 115 L N 0.696 122.034 121.223 0.192 0.000 2.346 115 L HA 0.332 4.671 4.340 -0.001 0.000 0.276 115 L C 0.192 177.093 176.870 0.052 0.000 1.006 115 L CA -0.927 53.976 54.840 0.106 0.000 0.817 115 L CB 1.809 43.922 42.059 0.091 0.000 1.272 115 L HN 0.039 nan 8.230 nan 0.000 0.421 116 S N 1.586 117.301 115.700 0.024 0.000 2.596 116 S HA 0.238 4.708 4.470 -0.001 0.000 0.260 116 S C 1.201 175.804 174.600 0.006 0.000 1.336 116 S CA 0.029 58.236 58.200 0.013 0.000 0.993 116 S CB 1.367 64.572 63.200 0.009 0.000 0.923 116 S HN 0.717 nan 8.310 nan 0.000 0.567 117 A N 0.823 123.645 122.820 0.004 0.000 1.933 117 A HA -0.082 4.237 4.320 -0.001 0.000 0.218 117 A C 2.210 179.804 177.584 0.018 0.000 1.175 117 A CA 1.376 53.416 52.037 0.004 0.000 0.628 117 A CB -0.870 18.137 19.000 0.010 0.000 0.814 117 A HN 0.871 nan 8.150 nan 0.000 0.444 118 E N -0.025 120.187 120.200 0.020 0.000 2.106 118 E HA -0.204 4.145 4.350 -0.001 0.000 0.192 118 E C 2.141 178.751 176.600 0.017 0.000 0.984 118 E CA 1.341 57.757 56.400 0.026 0.000 0.806 118 E CB -0.395 29.318 29.700 0.021 0.000 0.750 118 E HN 0.797 nan 8.360 nan 0.000 0.458 119 Q N 0.363 120.161 119.800 -0.004 0.000 2.119 119 Q HA -0.077 4.263 4.340 -0.001 0.000 0.201 119 Q C 2.398 178.372 176.000 -0.043 0.000 0.972 119 Q CA 0.921 56.704 55.803 -0.033 0.000 0.847 119 Q CB 0.024 28.734 28.738 -0.047 0.000 0.903 119 Q HN 0.073 nan 8.270 nan 0.000 0.433 120 V N 1.598 121.497 119.914 -0.025 0.000 2.287 120 V HA -0.283 3.836 4.120 -0.001 0.000 0.248 120 V C 1.520 177.607 176.094 -0.011 0.000 1.053 120 V CA 2.104 64.384 62.300 -0.033 0.000 1.027 120 V CB -0.476 31.328 31.823 -0.032 0.000 0.646 120 V HN 0.343 nan 8.190 nan 0.000 0.447 121 D N -0.105 120.325 120.400 0.050 0.000 2.144 121 D HA -0.119 4.521 4.640 -0.001 0.000 0.199 121 D C 2.155 178.562 176.300 0.177 0.000 0.984 121 D CA 1.062 55.166 54.000 0.174 0.000 0.834 121 D CB -0.308 40.637 40.800 0.242 0.000 0.955 121 D HN 0.329 nan 8.370 nan 0.000 0.465 122 L N 0.017 121.291 121.223 0.084 0.000 2.042 122 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 122 L C 2.363 179.260 176.870 0.045 0.000 1.076 122 L CA 0.834 55.708 54.840 0.057 0.000 0.749 122 L CB -0.317 41.734 42.059 -0.013 0.000 0.893 122 L HN 0.078 nan 8.230 nan 0.000 0.432 123 M N -0.732 118.854 119.600 -0.025 0.000 2.175 123 M HA -0.106 4.374 4.480 -0.001 0.000 0.264 123 M C 2.556 178.884 176.300 0.046 0.000 1.063 123 M CA 1.821 57.090 55.300 -0.052 0.000 1.119 123 M CB -1.510 31.001 32.600 -0.149 0.000 1.377 123 M HN 0.260 nan 8.290 nan 0.000 0.415 124 A N 0.879 123.720 122.820 0.034 0.000 1.902 124 A HA -0.171 4.149 4.320 -0.001 0.000 0.217 124 A C 2.105 179.803 177.584 0.191 0.000 1.181 124 A CA 1.739 53.788 52.037 0.019 0.000 0.623 124 A CB -0.733 18.108 19.000 -0.266 0.000 0.818 124 A HN 0.484 nan 8.150 nan 0.000 0.443 125 N N -1.414 117.469 118.700 0.304 0.000 2.142 125 N HA -0.171 4.568 4.740 -0.001 0.000 0.186 125 N C 1.618 177.242 175.510 0.190 0.000 1.023 125 N CA 1.691 54.903 53.050 0.269 0.000 0.852 125 N CB -0.609 38.012 38.487 0.224 0.000 0.998 125 N HN 0.683 nan 8.380 nan 0.000 0.424 126 Y N 1.790 122.106 120.300 0.025 0.000 2.207 126 Y HA -0.080 4.470 4.550 -0.001 0.000 0.287 126 Y C 2.106 177.962 175.900 -0.073 0.000 1.156 126 Y CA 1.310 59.386 58.100 -0.041 0.000 1.182 126 Y CB -0.289 38.052 38.460 -0.199 0.000 0.979 126 Y HN -0.014 nan 8.280 nan 0.000 0.521 127 L N -0.238 121.001 121.223 0.026 0.000 2.376 127 L HA -0.158 4.181 4.340 -0.001 0.000 0.219 127 L C 1.854 178.663 176.870 -0.101 0.000 1.133 127 L CA 0.639 55.420 54.840 -0.099 0.000 0.816 127 L CB -0.340 41.694 42.059 -0.041 0.000 0.933 127 L HN 0.322 nan 8.230 nan 0.000 0.449 128 L N -0.567 120.638 121.223 -0.030 0.000 2.509 128 L HA 0.083 4.423 4.340 -0.001 0.000 0.222 128 L C 0.679 177.517 176.870 -0.054 0.000 1.123 128 L CA 0.059 54.890 54.840 -0.015 0.000 0.856 128 L CB 0.059 42.151 42.059 0.056 0.000 0.985 128 L HN 0.170 nan 8.230 nan 0.000 0.456 129 L N -0.769 120.395 121.223 -0.098 0.000 2.375 129 L HA 0.281 4.620 4.340 -0.001 0.000 0.268 129 L C -0.193 176.577 176.870 -0.167 0.000 1.058 129 L CA -0.722 54.051 54.840 -0.111 0.000 0.803 129 L CB 1.015 43.034 42.059 -0.067 0.000 1.212 129 L HN -0.058 nan 8.230 nan 0.000 0.451 130 D N 2.707 123.025 120.400 -0.138 0.000 2.317 130 D HA 0.208 4.848 4.640 -0.001 0.000 0.252 130 D C -2.162 174.055 176.300 -0.138 0.000 1.174 130 D CA -0.902 53.021 54.000 -0.129 0.000 0.866 130 D CB 1.126 41.872 40.800 -0.091 0.000 1.127 130 D HN 0.229 nan 8.370 nan 0.000 0.467 131 P HA 0.126 nan 4.420 nan 0.000 0.271 131 P C -0.723 176.569 177.300 -0.014 0.000 1.216 131 P CA -0.488 62.557 63.100 -0.092 0.000 0.776 131 P CB 0.705 32.320 31.700 -0.140 0.000 0.881 132 A N 3.268 126.116 122.820 0.046 0.000 2.451 132 A HA 0.462 4.782 4.320 -0.001 0.000 0.266 132 A C 0.828 178.468 177.584 0.092 0.000 1.119 132 A CA -0.236 51.837 52.037 0.058 0.000 0.786 132 A CB -0.558 18.489 19.000 0.080 0.000 1.061 132 A HN 0.690 nan 8.150 nan 0.000 0.503 133 A N 4.917 127.785 122.820 0.080 0.000 2.584 133 A HA 0.413 4.732 4.320 -0.001 0.000 0.239 133 A C -1.900 175.762 177.584 0.130 0.000 1.043 133 A CA -0.422 51.681 52.037 0.110 0.000 0.756 133 A CB -0.753 18.318 19.000 0.119 0.000 0.963 133 A HN 0.686 nan 8.150 nan 0.000 0.511 134 P HA 0.279 nan 4.420 nan 0.000 0.271 134 P C -2.490 174.991 177.300 0.302 0.000 1.218 134 P CA -1.105 62.043 63.100 0.081 0.000 0.780 134 P CB -0.131 31.378 31.700 -0.319 0.000 0.901 135 P HA 0.067 nan 4.420 nan 0.000 0.268 135 P C -0.053 177.492 177.300 0.409 0.000 1.204 135 P CA 0.283 63.556 63.100 0.289 0.000 0.768 135 P CB 0.743 32.579 31.700 0.228 0.000 0.842 136 E N 1.444 121.795 120.200 0.252 0.000 2.376 136 E HA 0.321 4.670 4.350 -0.001 0.000 0.254 136 E C -0.802 175.911 176.600 0.188 0.000 1.213 136 E CA -0.162 56.332 56.400 0.157 0.000 0.945 136 E CB 0.461 30.200 29.700 0.064 0.000 1.057 136 E HN 0.419 nan 8.360 nan 0.000 0.479 137 F N 0.136 120.061 119.950 -0.043 0.000 3.094 137 F HA 0.356 4.882 4.527 -0.001 0.000 0.385 137 F C 0.175 175.938 175.800 -0.062 0.000 1.231 137 F CA -0.319 57.662 58.000 -0.032 0.000 1.207 137 F CB 0.673 39.658 39.000 -0.025 0.000 1.703 137 F HN 0.420 nan 8.300 nan 0.000 0.610 138 G N 2.155 110.860 108.800 -0.159 0.000 2.606 138 G HA2 0.269 4.228 3.960 -0.001 0.000 0.262 138 G HA3 0.269 4.228 3.960 -0.001 0.000 0.262 138 G C 0.733 175.544 174.900 -0.148 0.000 1.394 138 G CA -0.451 44.580 45.100 -0.115 0.000 1.044 138 G HN 0.528 nan 8.290 nan 0.000 0.553 139 M N -0.255 119.279 119.600 -0.111 0.000 2.117 139 M HA 0.020 4.499 4.480 -0.001 0.000 0.262 139 M C 2.324 178.562 176.300 -0.103 0.000 1.065 139 M CA 1.942 57.184 55.300 -0.097 0.000 1.114 139 M CB -0.418 32.133 32.600 -0.081 0.000 1.361 139 M HN 0.605 nan 8.290 nan 0.000 0.408 140 K N -0.507 119.823 120.400 -0.116 0.000 2.057 140 K HA -0.220 4.100 4.320 -0.001 0.000 0.207 140 K C 1.636 178.145 176.600 -0.151 0.000 1.049 140 K CA 1.999 58.225 56.287 -0.102 0.000 0.931 140 K CB -0.088 32.356 32.500 -0.093 0.000 0.714 140 K HN 0.317 nan 8.250 nan 0.000 0.440 141 E N 0.458 120.474 120.200 -0.307 0.000 2.072 141 E HA -0.119 4.231 4.350 -0.001 0.000 0.191 141 E C 1.986 178.371 176.600 -0.358 0.000 0.985 141 E CA 1.558 57.638 56.400 -0.534 0.000 0.801 141 E CB -0.081 28.874 29.700 -1.241 0.000 0.750 141 E HN 0.349 nan 8.360 nan 0.000 0.452 142 M N -0.071 119.405 119.600 -0.207 0.000 2.086 142 M HA -0.113 4.367 4.480 -0.001 0.000 0.261 142 M C 2.169 178.531 176.300 0.104 0.000 1.067 142 M CA 1.472 56.827 55.300 0.092 0.000 1.116 142 M CB -0.248 32.399 32.600 0.077 0.000 1.348 142 M HN -0.013 nan 8.290 nan 0.000 0.407 143 R N 0.285 120.819 120.500 0.056 0.000 2.120 143 R HA -0.120 4.219 4.340 -0.001 0.000 0.234 143 R C 1.908 178.329 176.300 0.202 0.000 1.123 143 R CA 1.176 57.382 56.100 0.177 0.000 0.975 143 R CB -0.308 30.072 30.300 0.132 0.000 0.866 143 R HN 0.528 nan 8.270 nan 0.000 0.446 144 E N 0.238 120.495 120.200 0.096 0.000 2.150 144 E HA -0.124 4.226 4.350 -0.001 0.000 0.193 144 E C 1.836 178.504 176.600 0.114 0.000 0.985 144 E CA 1.499 57.945 56.400 0.076 0.000 0.814 144 E CB 0.077 29.789 29.700 0.020 0.000 0.752 144 E HN 0.315 nan 8.360 nan 0.000 0.466 145 S N -0.166 115.634 115.700 0.166 0.000 2.558 145 S HA -0.064 4.405 4.470 -0.001 0.000 0.217 145 S C 0.285 175.023 174.600 0.230 0.000 0.975 145 S CA -0.552 57.765 58.200 0.195 0.000 0.912 145 S CB -0.196 63.161 63.200 0.261 0.000 0.776 145 S HN 0.304 nan 8.310 nan 0.000 0.526 146 W N 3.810 125.124 121.300 0.023 0.000 2.356 146 W HA 0.494 5.153 4.660 -0.001 0.000 0.311 146 W C -0.712 175.775 176.519 -0.053 0.000 1.328 146 W CA -1.306 56.035 57.345 -0.007 0.000 1.251 146 W CB 0.130 29.586 29.460 -0.006 0.000 1.280 146 W HN 0.012 nan 8.180 nan 0.000 0.524 147 K N 5.351 125.612 120.400 -0.231 0.000 2.471 147 K HA 0.471 4.790 4.320 -0.001 0.000 0.252 147 K C -1.409 174.794 176.600 -0.662 0.000 0.938 147 K CA -1.071 54.908 56.287 -0.513 0.000 0.796 147 K CB 2.318 34.571 32.500 -0.411 0.000 1.161 147 K HN 0.088 nan 8.250 nan 0.000 0.425 148 V N 4.762 124.255 119.914 -0.700 0.000 2.294 148 V HA 0.098 4.218 4.120 -0.001 0.000 0.272 148 V C 0.825 176.700 176.094 -0.364 0.000 1.027 148 V CA -0.579 61.443 62.300 -0.463 0.000 0.823 148 V CB 0.421 32.019 31.823 -0.374 0.000 1.030 148 V HN 0.826 nan 8.190 nan 0.000 0.457 149 H N 3.047 122.066 119.070 -0.085 0.000 2.363 149 H HA 0.105 4.661 4.556 -0.001 0.000 0.301 149 H C 0.409 175.710 175.328 -0.045 0.000 1.074 149 H CA 1.131 57.144 56.048 -0.057 0.000 1.354 149 H CB 0.616 30.359 29.762 -0.032 0.000 1.397 149 H HN 0.405 nan 8.280 nan 0.000 0.516 150 V N 1.513 121.470 119.914 0.070 0.000 2.380 150 V HA 0.447 4.567 4.120 -0.001 0.000 0.286 150 V C 0.209 176.308 176.094 0.009 0.000 1.015 150 V CA -1.008 61.315 62.300 0.038 0.000 0.834 150 V CB 1.123 32.978 31.823 0.054 0.000 1.009 150 V HN 0.344 nan 8.190 nan 0.000 0.428 151 A N 6.540 129.354 122.820 -0.010 0.000 2.520 151 A HA 0.409 4.729 4.320 -0.001 0.000 0.235 151 A C -1.152 176.440 177.584 0.013 0.000 1.065 151 A CA -0.555 51.474 52.037 -0.012 0.000 0.764 151 A CB -0.020 18.968 19.000 -0.020 0.000 1.002 151 A HN 0.666 nan 8.150 nan 0.000 0.502 152 P HA -0.196 nan 4.420 nan 0.000 0.216 152 P C 0.823 178.148 177.300 0.042 0.000 1.154 152 P CA 1.852 64.974 63.100 0.035 0.000 0.865 152 P CB 0.097 31.811 31.700 0.024 0.000 0.789 153 E N -0.677 119.540 120.200 0.028 0.000 2.160 153 E HA -0.162 4.187 4.350 -0.001 0.000 0.195 153 E C 1.303 177.921 176.600 0.030 0.000 0.991 153 E CA 1.194 57.610 56.400 0.027 0.000 0.810 153 E CB -0.893 28.817 29.700 0.016 0.000 0.742 153 E HN 0.357 nan 8.360 nan 0.000 0.466 154 D N 0.100 120.516 120.400 0.028 0.000 2.339 154 D HA 0.050 4.690 4.640 -0.001 0.000 0.217 154 D C 0.262 176.585 176.300 0.040 0.000 1.050 154 D CA 0.174 54.191 54.000 0.028 0.000 0.856 154 D CB 0.200 41.011 40.800 0.018 0.000 0.922 154 D HN 0.114 nan 8.370 nan 0.000 0.518 155 R N 1.005 121.539 120.500 0.057 0.000 2.546 155 R HA 0.391 4.730 4.340 -0.001 0.000 0.266 155 R C -2.215 174.139 176.300 0.090 0.000 1.086 155 R CA -1.456 54.691 56.100 0.077 0.000 1.160 155 R CB -0.145 30.218 30.300 0.105 0.000 1.138 155 R HN -0.127 nan 8.270 nan 0.000 0.567 156 P HA -0.029 nan 4.420 nan 0.000 0.268 156 P C 0.304 177.727 177.300 0.204 0.000 1.208 156 P CA 0.201 63.378 63.100 0.129 0.000 0.777 156 P CB 0.547 32.335 31.700 0.147 0.000 0.875 157 T N -2.571 112.073 114.554 0.149 0.000 3.069 157 T HA 0.148 4.498 4.350 -0.001 0.000 0.252 157 T C 0.354 175.142 174.700 0.147 0.000 1.053 157 T CA -0.077 62.131 62.100 0.180 0.000 0.964 157 T CB -0.196 68.724 68.868 0.088 0.000 1.005 157 T HN 0.635 nan 8.240 nan 0.000 0.532 158 Q N -0.248 119.515 119.800 -0.061 0.000 2.575 158 Q HA 0.348 4.688 4.340 -0.001 0.000 0.290 158 Q C -1.374 174.165 176.000 -0.769 0.000 0.963 158 Q CA -1.157 54.277 55.803 -0.616 0.000 0.783 158 Q CB 1.041 29.541 28.738 -0.396 0.000 1.467 158 Q HN 0.145 nan 8.270 nan 0.000 0.402 159 Q N 0.552 119.561 119.800 -1.319 0.000 2.263 159 Q HA -0.036 4.304 4.340 -0.001 0.000 0.289 159 Q C -0.427 175.319 176.000 -0.423 0.000 1.061 159 Q CA 0.760 56.001 55.803 -0.938 0.000 0.927 159 Q CB 0.496 28.700 28.738 -0.889 0.000 1.154 159 Q HN 0.668 nan 8.270 nan 0.000 0.378 160 E N 3.093 123.134 120.200 -0.264 0.000 2.569 160 E HA 0.073 4.422 4.350 -0.001 0.000 0.205 160 E C -0.865 175.619 176.600 -0.193 0.000 1.006 160 E CA -0.167 56.122 56.400 -0.184 0.000 0.985 160 E CB 0.288 29.918 29.700 -0.117 0.000 1.060 160 E HN 0.595 nan 8.360 nan 0.000 0.460 161 N N -0.426 118.121 118.700 -0.255 0.000 2.577 161 N HA 0.093 4.832 4.740 -0.001 0.000 0.285 161 N C -0.223 175.208 175.510 -0.132 0.000 1.309 161 N CA -0.789 52.091 53.050 -0.282 0.000 0.798 161 N CB 0.832 38.898 38.487 -0.701 0.000 1.463 161 N HN -0.202 nan 8.380 nan 0.000 0.518 162 D N -1.976 118.448 120.400 0.040 0.000 2.388 162 D HA 0.098 4.738 4.640 -0.001 0.000 0.221 162 D C -0.793 175.666 176.300 0.265 0.000 1.133 162 D CA -0.467 53.604 54.000 0.118 0.000 0.831 162 D CB -0.316 40.548 40.800 0.107 0.000 0.962 162 D HN 0.363 nan 8.370 nan 0.000 0.502 163 W N 1.325 122.622 121.300 -0.005 0.000 2.137 163 W HA 0.277 4.936 4.660 -0.001 0.000 0.344 163 W C 0.778 177.304 176.519 0.012 0.000 1.286 163 W CA -0.914 56.438 57.345 0.012 0.000 1.240 163 W CB 0.072 29.552 29.460 0.033 0.000 1.141 163 W HN -0.102 nan 8.180 nan 0.000 0.579 164 D N 2.674 123.217 120.400 0.237 0.000 2.494 164 D HA 0.111 4.750 4.640 -0.001 0.000 0.217 164 D C 1.117 177.527 176.300 0.184 0.000 1.153 164 D CA 0.065 54.155 54.000 0.150 0.000 0.954 164 D CB 0.206 41.056 40.800 0.082 0.000 1.034 164 D HN 0.313 nan 8.370 nan 0.000 0.518 165 L N 2.231 123.583 121.223 0.214 0.000 2.042 165 L HA -0.144 4.196 4.340 -0.001 0.000 0.210 165 L C 2.057 179.031 176.870 0.173 0.000 1.076 165 L CA 1.039 56.017 54.840 0.230 0.000 0.749 165 L CB -0.192 42.007 42.059 0.233 0.000 0.893 165 L HN 0.397 nan 8.230 nan 0.000 0.432 166 E N -0.221 120.073 120.200 0.157 0.000 2.265 166 E HA -0.201 4.148 4.350 -0.001 0.000 0.196 166 E C 1.071 177.732 176.600 0.103 0.000 0.996 166 E CA 0.797 57.298 56.400 0.168 0.000 0.832 166 E CB -0.110 29.711 29.700 0.202 0.000 0.756 166 E HN 0.336 nan 8.360 nan 0.000 0.491 167 N N 0.362 119.106 118.700 0.074 0.000 2.235 167 N HA 0.045 4.785 4.740 -0.001 0.000 0.209 167 N C -0.621 174.937 175.510 0.079 0.000 1.122 167 N CA -0.147 52.933 53.050 0.050 0.000 0.845 167 N CB 0.320 38.849 38.487 0.070 0.000 1.004 167 N HN -0.018 nan 8.380 nan 0.000 0.499 168 L N 0.637 121.901 121.223 0.069 0.000 2.371 168 L HA 0.438 4.777 4.340 -0.001 0.000 0.272 168 L C -0.938 175.936 176.870 0.006 0.000 1.124 168 L CA -0.059 54.851 54.840 0.116 0.000 0.816 168 L CB 0.254 42.411 42.059 0.163 0.000 1.129 168 L HN -0.085 nan 8.230 nan 0.000 0.448 169 F N 2.585 122.463 119.950 -0.121 0.000 2.458 169 F HA 0.395 4.922 4.527 -0.001 0.000 0.336 169 F C 0.402 176.177 175.800 -0.042 0.000 1.114 169 F CA -0.384 57.497 58.000 -0.198 0.000 0.987 169 F CB 1.846 40.524 39.000 -0.537 0.000 1.130 169 F HN 0.404 nan 8.300 nan 0.000 0.458 170 S N 3.508 119.295 115.700 0.146 0.000 2.423 170 S HA 0.642 5.111 4.470 -0.001 0.000 0.317 170 S C -0.997 173.707 174.600 0.172 0.000 1.065 170 S CA -0.483 57.817 58.200 0.167 0.000 1.111 170 S CB 0.078 63.379 63.200 0.168 0.000 0.968 170 S HN 0.362 nan 8.310 nan 0.000 0.474 171 V N 5.589 125.586 119.914 0.139 0.000 2.384 171 V HA 0.364 4.483 4.120 -0.001 0.000 0.287 171 V C 0.488 176.617 176.094 0.058 0.000 1.020 171 V CA -0.800 61.556 62.300 0.093 0.000 0.850 171 V CB 1.592 33.483 31.823 0.113 0.000 0.987 171 V HN 0.849 nan 8.190 nan 0.000 0.436 172 T N 6.810 121.375 114.554 0.018 0.000 2.853 172 T HA 0.319 4.668 4.350 -0.001 0.000 0.298 172 T C 0.208 174.874 174.700 -0.056 0.000 0.978 172 T CA 0.175 62.260 62.100 -0.025 0.000 1.152 172 T CB 0.063 68.882 68.868 -0.081 0.000 0.914 172 T HN 0.411 nan 8.240 nan 0.000 0.539 173 L N 4.531 125.731 121.223 -0.038 0.000 2.494 173 L HA 0.362 4.701 4.340 -0.001 0.000 0.251 173 L C 1.889 178.719 176.870 -0.068 0.000 1.119 173 L CA -0.599 54.222 54.840 -0.032 0.000 1.026 173 L CB 0.145 42.209 42.059 0.009 0.000 1.370 173 L HN 0.691 nan 8.230 nan 0.000 0.426 174 R N 1.130 121.556 120.500 -0.123 0.000 2.179 174 R HA -0.239 4.100 4.340 -0.001 0.000 0.238 174 R C 0.930 177.077 176.300 -0.255 0.000 1.119 174 R CA 2.665 58.650 56.100 -0.191 0.000 0.915 174 R CB 0.146 30.332 30.300 -0.190 0.000 0.870 174 R HN 0.546 nan 8.270 nan 0.000 0.432 175 D N -0.759 119.590 120.400 -0.085 0.000 2.348 175 D HA -0.014 4.626 4.640 -0.001 0.000 0.216 175 D C 1.065 177.439 176.300 0.123 0.000 0.970 175 D CA 1.066 55.082 54.000 0.027 0.000 0.889 175 D CB 0.167 41.073 40.800 0.176 0.000 0.912 175 D HN 0.446 nan 8.370 nan 0.000 0.524 176 A N -0.144 122.707 122.820 0.051 0.000 2.238 176 A HA 0.447 4.767 4.320 -0.001 0.000 0.210 176 A C 1.694 179.332 177.584 0.090 0.000 1.179 176 A CA 0.582 52.673 52.037 0.091 0.000 0.827 176 A CB -0.247 18.792 19.000 0.065 0.000 0.856 176 A HN 0.162 nan 8.150 nan 0.000 0.488 177 G N -0.485 108.324 108.800 0.015 0.000 2.323 177 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.292 177 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.292 177 G C -0.103 174.823 174.900 0.044 0.000 1.040 177 G CA 0.819 45.943 45.100 0.040 0.000 0.942 177 G HN 0.674 nan 8.290 nan 0.000 0.506 178 Q N -1.421 118.390 119.800 0.017 0.000 2.615 178 Q HA 0.795 5.134 4.340 -0.001 0.000 0.298 178 Q C 0.201 176.217 176.000 0.026 0.000 1.023 178 Q CA -0.921 54.902 55.803 0.034 0.000 0.768 178 Q CB 2.211 30.975 28.738 0.043 0.000 1.500 178 Q HN 0.719 nan 8.270 nan 0.000 0.441 179 I N -2.531 118.066 120.570 0.045 0.000 2.934 179 I HA 0.958 5.128 4.170 -0.001 0.000 0.306 179 I C -1.312 174.848 176.117 0.072 0.000 1.110 179 I CA -1.220 60.114 61.300 0.057 0.000 1.019 179 I CB 2.245 40.287 38.000 0.071 0.000 1.227 179 I HN 0.556 nan 8.210 nan 0.000 0.434 180 A N 5.805 128.674 122.820 0.082 0.000 2.304 180 A HA 0.740 5.059 4.320 -0.001 0.000 0.314 180 A C -0.727 176.924 177.584 0.111 0.000 1.187 180 A CA -0.617 51.473 52.037 0.090 0.000 0.810 180 A CB 0.934 19.984 19.000 0.083 0.000 1.183 180 A HN 0.740 nan 8.150 nan 0.000 0.487 181 L N 3.963 125.250 121.223 0.105 0.000 2.283 181 L HA 0.424 4.763 4.340 -0.001 0.000 0.287 181 L C -0.618 176.271 176.870 0.030 0.000 1.073 181 L CA 0.136 55.039 54.840 0.106 0.000 0.822 181 L CB 0.265 42.423 42.059 0.165 0.000 1.186 181 L HN 0.547 nan 8.230 nan 0.000 0.436 182 I N 2.370 123.002 120.570 0.103 0.000 2.433 182 I HA 0.214 4.383 4.170 -0.001 0.000 0.292 182 I C 0.029 176.230 176.117 0.140 0.000 1.001 182 I CA -0.684 60.693 61.300 0.128 0.000 1.119 182 I CB 2.213 40.388 38.000 0.291 0.000 1.289 182 I HN 0.522 nan 8.210 nan 0.000 0.438 183 D N 4.692 125.104 120.400 0.021 0.000 2.417 183 D HA 0.015 4.655 4.640 -0.001 0.000 0.250 183 D C 1.158 177.531 176.300 0.121 0.000 1.166 183 D CA 0.296 54.292 54.000 -0.006 0.000 0.881 183 D CB 1.854 42.565 40.800 -0.149 0.000 1.164 183 D HN 0.817 nan 8.370 nan 0.000 0.467 184 G N 2.865 111.783 108.800 0.197 0.000 2.509 184 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.218 184 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.218 184 G C 1.076 176.023 174.900 0.078 0.000 1.124 184 G CA 0.866 46.163 45.100 0.329 0.000 0.776 184 G HN 0.570 nan 8.290 nan 0.000 0.547 185 A N 0.048 122.762 122.820 -0.176 0.000 2.013 185 A HA 0.234 4.554 4.320 -0.001 0.000 0.204 185 A C 2.390 179.495 177.584 -0.799 0.000 1.262 185 A CA 1.701 53.511 52.037 -0.379 0.000 0.800 185 A CB -0.232 18.663 19.000 -0.174 0.000 0.909 185 A HN 0.369 nan 8.150 nan 0.000 0.472 186 T N -5.511 108.674 114.554 -0.615 0.000 3.057 186 T HA 0.110 4.460 4.350 -0.001 0.000 0.254 186 T C 0.576 174.926 174.700 -0.584 0.000 1.094 186 T CA 0.941 62.708 62.100 -0.556 0.000 1.088 186 T CB -0.520 68.189 68.868 -0.266 0.000 0.934 186 T HN 0.733 nan 8.240 nan 0.000 0.497 187 Y N 0.254 120.472 120.300 -0.136 0.000 4.668 187 Y HA -0.182 4.367 4.550 -0.001 0.000 0.234 187 Y C 0.286 176.133 175.900 -0.088 0.000 1.056 187 Y CA 0.041 58.046 58.100 -0.158 0.000 2.025 187 Y CB -2.808 35.400 38.460 -0.420 0.000 1.613 187 Y HN 0.578 nan 8.280 nan 0.000 0.653 188 E N 1.383 121.563 120.200 -0.032 0.000 2.289 188 E HA 0.389 4.739 4.350 -0.001 0.000 0.278 188 E C 0.048 176.624 176.600 -0.040 0.000 1.032 188 E CA -0.486 55.889 56.400 -0.042 0.000 0.854 188 E CB 0.464 30.101 29.700 -0.104 0.000 1.046 188 E HN 0.351 nan 8.360 nan 0.000 0.409 189 I N 6.448 127.010 120.570 -0.012 0.000 2.471 189 I HA -0.061 4.109 4.170 -0.001 0.000 0.294 189 I C 1.341 177.413 176.117 -0.075 0.000 1.123 189 I CA -0.156 61.135 61.300 -0.014 0.000 1.336 189 I CB 0.365 38.377 38.000 0.019 0.000 1.430 189 I HN 0.465 nan 8.210 nan 0.000 0.533 190 K N 3.001 123.295 120.400 -0.176 0.000 2.103 190 K HA 0.050 4.370 4.320 -0.001 0.000 0.204 190 K C 0.671 177.225 176.600 -0.077 0.000 1.052 190 K CA 0.658 56.755 56.287 -0.317 0.000 0.945 190 K CB 0.072 32.010 32.500 -0.938 0.000 0.722 190 K HN 0.568 nan 8.250 nan 0.000 0.443 191 S N -0.667 115.037 115.700 0.006 0.000 2.558 191 S HA 0.340 4.810 4.470 -0.001 0.000 0.277 191 S C -1.776 172.879 174.600 0.092 0.000 1.143 191 S CA -0.785 57.479 58.200 0.107 0.000 0.865 191 S CB 1.502 64.846 63.200 0.240 0.000 1.102 191 S HN -0.174 nan 8.310 nan 0.000 0.454 192 V N 5.001 124.965 119.914 0.083 0.000 2.378 192 V HA 0.525 4.644 4.120 -0.001 0.000 0.288 192 V C -0.494 175.644 176.094 0.073 0.000 1.016 192 V CA -0.479 61.865 62.300 0.073 0.000 0.840 192 V CB 1.059 32.917 31.823 0.058 0.000 0.994 192 V HN 0.759 nan 8.190 nan 0.000 0.431 193 L N 4.006 125.274 121.223 0.075 0.000 2.325 193 L HA 0.596 4.936 4.340 -0.001 0.000 0.278 193 L C -0.154 176.749 176.870 0.055 0.000 1.023 193 L CA -0.642 54.237 54.840 0.066 0.000 0.811 193 L CB 1.787 43.890 42.059 0.073 0.000 1.249 193 L HN 0.524 nan 8.230 nan 0.000 0.431 194 D N 1.805 122.234 120.400 0.047 0.000 2.264 194 D HA 0.348 4.988 4.640 -0.001 0.000 0.250 194 D C 0.081 176.412 176.300 0.051 0.000 1.113 194 D CA 0.186 54.216 54.000 0.050 0.000 0.871 194 D CB 2.087 42.915 40.800 0.047 0.000 1.167 194 D HN 0.655 nan 8.370 nan 0.000 0.447 195 T N -1.591 112.998 114.554 0.059 0.000 2.591 195 T HA 0.584 4.933 4.350 -0.001 0.000 0.274 195 T C 0.589 175.335 174.700 0.078 0.000 0.945 195 T CA -0.928 61.209 62.100 0.061 0.000 1.087 195 T CB 0.798 69.696 68.868 0.050 0.000 1.416 195 T HN 0.222 nan 8.240 nan 0.000 0.514 196 G N -0.635 108.211 108.800 0.077 0.000 2.606 196 G HA2 0.408 4.368 3.960 -0.001 0.000 0.252 196 G HA3 0.408 4.368 3.960 -0.001 0.000 0.252 196 G C -0.951 174.020 174.900 0.119 0.000 1.206 196 G CA -0.524 44.636 45.100 0.101 0.000 0.861 196 G HN 0.684 nan 8.290 nan 0.000 0.561 197 Y N 1.096 121.422 120.300 0.044 0.000 2.511 197 Y HA 0.290 4.839 4.550 -0.001 0.000 0.332 197 Y C 0.965 176.900 175.900 0.058 0.000 1.177 197 Y CA 0.444 58.575 58.100 0.051 0.000 1.422 197 Y CB 0.489 38.980 38.460 0.051 0.000 1.271 197 Y HN 1.302 nan 8.280 nan 0.000 0.550 198 A N 3.857 126.253 122.820 -0.707 0.000 2.466 198 A HA -0.181 4.139 4.320 -0.001 0.000 0.295 198 A C 0.099 177.603 177.584 -0.133 0.000 1.465 198 A CA 0.573 52.328 52.037 -0.469 0.000 0.744 198 A CB -2.557 16.175 19.000 -0.446 0.000 1.098 198 A HN 0.693 nan 8.150 nan 0.000 0.402 199 V N 1.223 121.081 119.914 -0.094 0.000 2.726 199 V HA -0.107 4.013 4.120 -0.001 0.000 0.304 199 V C 1.753 177.840 176.094 -0.011 0.000 1.115 199 V CA 1.686 63.975 62.300 -0.018 0.000 1.264 199 V CB 0.407 32.224 31.823 -0.010 0.000 0.867 199 V HN 0.834 nan 8.190 nan 0.000 0.498 200 H N 4.627 123.672 119.070 -0.041 0.000 2.399 200 H HA 0.353 4.908 4.556 -0.001 0.000 0.300 200 H C 0.489 175.826 175.328 0.015 0.000 1.048 200 H CA 1.398 57.434 56.048 -0.020 0.000 1.370 200 H CB 0.431 30.173 29.762 -0.034 0.000 1.428 200 H HN 0.686 nan 8.280 nan 0.000 0.534 201 I N -2.878 117.697 120.570 0.008 0.000 3.006 201 I HA 0.506 4.676 4.170 -0.001 0.000 0.306 201 I C -1.004 174.968 176.117 -0.242 0.000 1.250 201 I CA -1.036 60.160 61.300 -0.173 0.000 0.996 201 I CB 2.724 40.540 38.000 -0.306 0.000 1.261 201 I HN -0.253 nan 8.210 nan 0.000 0.442 202 S N 2.818 118.210 115.700 -0.513 0.000 2.475 202 S HA 0.708 5.177 4.470 -0.001 0.000 0.298 202 S C -0.566 173.759 174.600 -0.459 0.000 1.119 202 S CA -0.832 57.189 58.200 -0.298 0.000 1.085 202 S CB 1.205 64.396 63.200 -0.015 0.000 1.028 202 S HN 0.448 nan 8.310 nan 0.000 0.489 203 R N 1.700 122.105 120.500 -0.158 0.000 2.744 203 R HA 0.525 4.865 4.340 -0.001 0.000 0.279 203 R C -1.468 174.888 176.300 0.093 0.000 0.977 203 R CA -0.796 55.249 56.100 -0.091 0.000 0.906 203 R CB 1.318 31.549 30.300 -0.115 0.000 1.197 203 R HN 0.420 nan 8.270 nan 0.000 0.463 204 L N 1.541 122.816 121.223 0.086 0.000 2.334 204 L HA 0.372 4.712 4.340 -0.001 0.000 0.276 204 L C 0.983 177.953 176.870 0.166 0.000 1.014 204 L CA -0.369 54.559 54.840 0.148 0.000 0.815 204 L CB 1.782 43.887 42.059 0.077 0.000 1.268 204 L HN 0.807 nan 8.230 nan 0.000 0.428 205 S N 1.460 117.318 115.700 0.263 0.000 2.580 205 S HA 0.175 4.645 4.470 -0.001 0.000 0.266 205 S C 1.242 175.893 174.600 0.086 0.000 1.354 205 S CA 0.174 58.497 58.200 0.204 0.000 1.008 205 S CB 0.837 64.227 63.200 0.316 0.000 0.898 205 S HN 0.713 nan 8.310 nan 0.000 0.555 206 A N 1.231 124.083 122.820 0.052 0.000 2.067 206 A HA 0.024 4.343 4.320 -0.001 0.000 0.219 206 A C 2.330 179.927 177.584 0.022 0.000 1.158 206 A CA 1.401 53.453 52.037 0.024 0.000 0.661 206 A CB -1.244 17.765 19.000 0.015 0.000 0.801 206 A HN 1.291 nan 8.150 nan 0.000 0.452 207 S N -2.267 113.444 115.700 0.018 0.000 2.528 207 S HA 0.362 4.831 4.470 -0.001 0.000 0.219 207 S C 1.494 176.099 174.600 0.008 0.000 0.985 207 S CA 1.081 59.284 58.200 0.005 0.000 0.914 207 S CB -0.206 62.964 63.200 -0.051 0.000 0.776 207 S HN 1.835 nan 8.310 nan 0.000 0.526 208 G N 1.827 110.627 108.800 0.001 0.000 2.159 208 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.256 208 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.256 208 G C 0.794 175.656 174.900 -0.062 0.000 0.977 208 G CA 0.471 45.581 45.100 0.017 0.000 0.652 208 G HN 0.611 nan 8.290 nan 0.000 0.531 209 R N -0.954 119.382 120.500 -0.273 0.000 2.080 209 R HA 0.214 4.554 4.340 -0.001 0.000 0.222 209 R C 0.275 176.198 176.300 -0.629 0.000 1.107 209 R CA 0.717 56.397 56.100 -0.700 0.000 0.980 209 R CB 0.024 29.478 30.300 -1.410 0.000 0.879 209 R HN 0.348 nan 8.270 nan 0.000 0.439 210 Y N 0.733 120.915 120.300 -0.196 0.000 2.331 210 Y HA 0.322 4.872 4.550 -0.001 0.000 0.338 210 Y C -0.571 175.218 175.900 -0.184 0.000 0.992 210 Y CA -1.253 56.703 58.100 -0.240 0.000 1.121 210 Y CB 1.631 39.924 38.460 -0.278 0.000 1.184 210 Y HN 0.001 nan 8.280 nan 0.000 0.469 211 L N 5.101 126.264 121.223 -0.100 0.000 2.265 211 L HA 0.595 4.934 4.340 -0.001 0.000 0.289 211 L C -1.718 175.015 176.870 -0.229 0.000 1.033 211 L CA -0.554 54.252 54.840 -0.057 0.000 0.814 211 L CB -0.180 41.881 42.059 0.003 0.000 1.203 211 L HN 0.355 nan 8.230 nan 0.000 0.423 212 F N 5.185 125.142 119.950 0.012 0.000 2.436 212 F HA 0.670 5.197 4.527 -0.001 0.000 0.340 212 F C 0.164 175.940 175.800 -0.039 0.000 1.113 212 F CA -0.619 57.372 58.000 -0.016 0.000 1.022 212 F CB 1.912 40.884 39.000 -0.046 0.000 1.128 212 F HN 0.401 nan 8.300 nan 0.000 0.466 213 V N 2.263 122.248 119.914 0.119 0.000 2.823 213 V HA 0.710 4.830 4.120 -0.001 0.000 0.312 213 V C -1.112 175.015 176.094 0.055 0.000 1.072 213 V CA -0.947 61.388 62.300 0.059 0.000 0.937 213 V CB 2.086 33.934 31.823 0.042 0.000 1.013 213 V HN 0.765 nan 8.190 nan 0.000 0.430 214 I N 2.638 123.223 120.570 0.024 0.000 2.466 214 I HA 0.817 4.987 4.170 -0.001 0.000 0.289 214 I C 0.622 176.751 176.117 0.021 0.000 1.026 214 I CA -0.247 61.062 61.300 0.015 0.000 1.078 214 I CB 1.454 39.443 38.000 -0.019 0.000 1.249 214 I HN 1.036 nan 8.210 nan 0.000 0.429 215 G N 5.306 114.122 108.800 0.025 0.000 2.537 215 G HA2 0.239 4.199 3.960 -0.001 0.000 0.273 215 G HA3 0.239 4.199 3.960 -0.001 0.000 0.273 215 G C 0.669 175.585 174.900 0.027 0.000 1.189 215 G CA -0.660 44.463 45.100 0.039 0.000 0.881 215 G HN 0.857 nan 8.290 nan 0.000 0.535 216 R N -0.502 120.031 120.500 0.056 0.000 2.193 216 R HA -0.059 4.281 4.340 -0.001 0.000 0.229 216 R C 0.980 177.294 176.300 0.023 0.000 1.110 216 R CA 1.605 57.722 56.100 0.029 0.000 0.988 216 R CB -0.199 30.152 30.300 0.084 0.000 0.871 216 R HN 0.491 nan 8.270 nan 0.000 0.458 217 D N -0.163 120.271 120.400 0.057 0.000 2.349 217 D HA 0.074 4.714 4.640 -0.001 0.000 0.224 217 D C 1.182 177.455 176.300 -0.045 0.000 1.029 217 D CA 0.664 54.680 54.000 0.028 0.000 0.879 217 D CB 0.160 41.000 40.800 0.066 0.000 0.906 217 D HN 0.422 nan 8.370 nan 0.000 0.528 218 G N -0.070 108.694 108.800 -0.061 0.000 2.157 218 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.239 218 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.239 218 G C 0.209 175.061 174.900 -0.080 0.000 0.982 218 G CA 0.084 45.115 45.100 -0.114 0.000 0.650 218 G HN 0.532 nan 8.290 nan 0.000 0.527 219 K N 1.069 121.457 120.400 -0.021 0.000 2.312 219 K HA 0.598 4.918 4.320 -0.001 0.000 0.287 219 K C 0.058 176.680 176.600 0.036 0.000 1.062 219 K CA -0.402 55.898 56.287 0.021 0.000 0.934 219 K CB 1.125 33.657 32.500 0.053 0.000 1.027 219 K HN 0.203 nan 8.250 nan 0.000 0.478 220 V N 5.754 125.700 119.914 0.054 0.000 2.398 220 V HA 0.384 4.504 4.120 -0.001 0.000 0.286 220 V C -0.181 175.972 176.094 0.099 0.000 1.026 220 V CA -0.854 61.491 62.300 0.075 0.000 0.868 220 V CB 1.452 33.324 31.823 0.081 0.000 0.982 220 V HN 0.820 nan 8.190 nan 0.000 0.443 221 N N 4.552 123.305 118.700 0.088 0.000 2.362 221 N HA 0.572 5.312 4.740 -0.001 0.000 0.298 221 N C -0.969 174.543 175.510 0.004 0.000 1.048 221 N CA -0.606 52.485 53.050 0.068 0.000 0.858 221 N CB 2.514 41.035 38.487 0.057 0.000 1.218 221 N HN 0.572 nan 8.380 nan 0.000 0.488 222 M N 3.520 123.079 119.600 -0.067 0.000 2.243 222 M HA 0.487 4.966 4.480 -0.001 0.000 0.324 222 M C -1.671 174.515 176.300 -0.190 0.000 1.031 222 M CA -0.528 54.575 55.300 -0.328 0.000 0.949 222 M CB 0.978 33.351 32.600 -0.379 0.000 1.615 222 M HN 0.468 nan 8.290 nan 0.000 0.430 223 I N 3.501 123.955 120.570 -0.193 0.000 2.433 223 I HA 0.283 4.452 4.170 -0.001 0.000 0.292 223 I C -0.768 175.359 176.117 0.017 0.000 1.001 223 I CA -0.680 60.593 61.300 -0.046 0.000 1.119 223 I CB 1.947 39.936 38.000 -0.018 0.000 1.289 223 I HN 0.572 nan 8.210 nan 0.000 0.438 224 D N 6.469 126.900 120.400 0.051 0.000 2.380 224 D HA 0.239 4.878 4.640 -0.001 0.000 0.230 224 D C 0.674 176.927 176.300 -0.078 0.000 1.154 224 D CA -0.085 53.918 54.000 0.005 0.000 0.859 224 D CB 1.086 41.938 40.800 0.087 0.000 1.045 224 D HN 0.431 nan 8.370 nan 0.000 0.495 225 L N 2.779 123.921 121.223 -0.135 0.000 2.551 225 L HA 0.010 4.350 4.340 -0.001 0.000 0.228 225 L C 1.127 178.025 176.870 0.047 0.000 1.153 225 L CA 0.112 54.924 54.840 -0.048 0.000 0.851 225 L CB -0.015 42.056 42.059 0.020 0.000 0.959 225 L HN 0.486 nan 8.230 nan 0.000 0.451 226 W N -0.282 120.872 121.300 -0.242 0.000 3.003 226 W HA 0.152 4.811 4.660 -0.001 0.000 0.257 226 W C 1.045 177.431 176.519 -0.223 0.000 1.308 226 W CA -0.780 56.430 57.345 -0.225 0.000 1.529 226 W CB -0.371 28.970 29.460 -0.198 0.000 1.115 226 W HN 0.014 nan 8.180 nan 0.000 0.659 227 M N 0.720 120.312 119.600 -0.013 0.000 2.245 227 M HA -0.011 4.469 4.480 -0.001 0.000 0.330 227 M C 1.877 178.059 176.300 -0.196 0.000 1.098 227 M CA 0.176 55.432 55.300 -0.074 0.000 1.172 227 M CB 0.732 33.297 32.600 -0.059 0.000 1.467 227 M HN -0.315 nan 8.290 nan 0.000 0.454 228 K N 1.673 121.986 120.400 -0.145 0.000 2.059 228 K HA -0.143 4.177 4.320 -0.001 0.000 0.212 228 K C -0.182 176.304 176.600 -0.191 0.000 1.050 228 K CA 1.707 57.897 56.287 -0.162 0.000 0.927 228 K CB 0.227 32.681 32.500 -0.077 0.000 0.714 228 K HN 0.613 nan 8.250 nan 0.000 0.447 229 E N 0.742 120.868 120.200 -0.123 0.000 2.593 229 E HA 0.220 4.569 4.350 -0.001 0.000 0.232 229 E C -2.528 174.032 176.600 -0.068 0.000 1.026 229 E CA -2.109 54.252 56.400 -0.064 0.000 0.772 229 E CB 1.505 31.215 29.700 0.016 0.000 1.310 229 E HN 0.085 nan 8.360 nan 0.000 0.413 230 P HA -0.085 nan 4.420 nan 0.000 0.261 230 P C -0.288 177.019 177.300 0.013 0.000 1.173 230 P CA 0.572 63.626 63.100 -0.078 0.000 0.760 230 P CB 0.835 32.469 31.700 -0.111 0.000 0.783 231 T N 1.262 115.822 114.554 0.009 0.000 2.671 231 T HA 0.342 4.692 4.350 -0.001 0.000 0.300 231 T C -0.878 173.831 174.700 0.015 0.000 1.238 231 T CA -0.493 61.617 62.100 0.016 0.000 1.020 231 T CB 0.626 69.492 68.868 -0.002 0.000 1.503 231 T HN 0.116 nan 8.240 nan 0.000 0.497 232 T N 2.154 116.713 114.554 0.008 0.000 2.817 232 T HA 0.270 4.620 4.350 -0.001 0.000 0.295 232 T C 1.590 176.347 174.700 0.095 0.000 0.958 232 T CA 0.222 62.346 62.100 0.040 0.000 1.157 232 T CB 0.538 69.435 68.868 0.048 0.000 0.898 232 T HN 0.603 nan 8.240 nan 0.000 0.536 233 V N 0.804 120.778 119.914 0.100 0.000 3.565 233 V HA 0.714 4.834 4.120 -0.001 0.000 0.260 233 V C 0.610 176.771 176.094 0.112 0.000 1.231 233 V CA 0.352 62.722 62.300 0.116 0.000 1.100 233 V CB -0.616 31.244 31.823 0.062 0.000 0.807 233 V HN 0.925 nan 8.190 nan 0.000 0.454 234 A N 0.795 123.679 122.820 0.107 0.000 2.604 234 A HA 0.776 5.095 4.320 -0.001 0.000 0.295 234 A C -0.962 176.690 177.584 0.114 0.000 1.067 234 A CA -0.248 51.819 52.037 0.051 0.000 0.683 234 A CB 1.487 20.527 19.000 0.068 0.000 1.281 234 A HN 0.656 nan 8.150 nan 0.000 0.407 235 E N 0.756 121.029 120.200 0.121 0.000 2.390 235 E HA 0.848 5.197 4.350 -0.001 0.000 0.277 235 E C -1.413 175.326 176.600 0.230 0.000 0.939 235 E CA -0.727 55.773 56.400 0.166 0.000 0.769 235 E CB 2.191 31.999 29.700 0.179 0.000 1.251 235 E HN 0.905 nan 8.360 nan 0.000 0.450 236 I N 0.165 120.851 120.570 0.193 0.000 2.947 236 I HA 0.368 4.537 4.170 -0.001 0.000 0.301 236 I C -2.015 174.182 176.117 0.133 0.000 1.453 236 I CA -0.786 60.633 61.300 0.199 0.000 0.984 236 I CB 2.320 40.420 38.000 0.168 0.000 1.333 236 I HN 0.648 nan 8.210 nan 0.000 0.475 237 K N 5.184 125.677 120.400 0.155 0.000 2.244 237 K HA 0.499 4.819 4.320 -0.001 0.000 0.260 237 K C -0.130 176.499 176.600 0.049 0.000 0.951 237 K CA -0.508 55.814 56.287 0.060 0.000 0.826 237 K CB 1.400 33.943 32.500 0.071 0.000 1.108 237 K HN 0.595 nan 8.250 nan 0.000 0.433 238 I N -0.135 120.357 120.570 -0.130 0.000 4.154 238 I HA 0.473 4.642 4.170 -0.001 0.000 0.334 238 I C 0.301 176.271 176.117 -0.244 0.000 1.371 238 I CA -0.194 61.060 61.300 -0.077 0.000 1.110 238 I CB 1.164 39.131 38.000 -0.054 0.000 1.085 238 I HN 0.647 nan 8.210 nan 0.000 0.398 239 G N -0.255 108.162 108.800 -0.638 0.000 2.321 239 G HA2 0.304 4.264 3.960 -0.001 0.000 0.296 239 G HA3 0.304 4.264 3.960 -0.001 0.000 0.296 239 G C -0.355 174.215 174.900 -0.549 0.000 1.287 239 G CA 0.119 44.867 45.100 -0.586 0.000 0.846 239 G HN -0.162 nan 8.290 nan 0.000 0.508 240 S N -0.387 115.191 115.700 -0.202 0.000 2.441 240 S HA 0.267 4.736 4.470 -0.001 0.000 0.224 240 S C 0.225 174.821 174.600 -0.006 0.000 1.043 240 S CA 0.720 58.884 58.200 -0.060 0.000 0.948 240 S CB 0.115 63.401 63.200 0.144 0.000 0.810 240 S HN 0.446 nan 8.310 nan 0.000 0.504 241 E N 0.383 120.612 120.200 0.048 0.000 2.260 241 E HA 0.703 5.053 4.350 -0.001 0.000 0.266 241 E C -1.087 175.489 176.600 -0.039 0.000 0.887 241 E CA -0.273 56.154 56.400 0.046 0.000 0.777 241 E CB 2.032 31.837 29.700 0.175 0.000 1.205 241 E HN 0.232 nan 8.360 nan 0.000 0.414 242 A N 2.564 125.287 122.820 -0.162 0.000 2.572 242 A HA 0.735 5.055 4.320 -0.001 0.000 0.295 242 A C -0.020 177.347 177.584 -0.361 0.000 1.072 242 A CA -0.548 51.345 52.037 -0.239 0.000 0.691 242 A CB 1.446 20.361 19.000 -0.142 0.000 1.291 242 A HN 0.415 nan 8.150 nan 0.000 0.404 243 R N -0.108 120.146 120.500 -0.410 0.000 2.582 243 R HA 0.201 4.541 4.340 -0.001 0.000 0.285 243 R C 0.030 176.219 176.300 -0.184 0.000 0.940 243 R CA 0.969 56.823 56.100 -0.409 0.000 1.072 243 R CB 0.392 30.287 30.300 -0.675 0.000 1.527 243 R HN 0.906 nan 8.270 nan 0.000 0.538 244 S N -0.001 115.607 115.700 -0.153 0.000 2.548 244 S HA 0.772 5.242 4.470 -0.001 0.000 0.286 244 S C -0.442 174.071 174.600 -0.144 0.000 1.098 244 S CA -0.728 57.398 58.200 -0.123 0.000 0.930 244 S CB 2.450 65.580 63.200 -0.117 0.000 1.070 244 S HN 0.147 nan 8.310 nan 0.000 0.480 245 I N 0.813 121.284 120.570 -0.165 0.000 2.841 245 I HA 0.770 4.939 4.170 -0.001 0.000 0.298 245 I C -1.850 174.116 176.117 -0.252 0.000 1.304 245 I CA -0.219 60.953 61.300 -0.213 0.000 1.019 245 I CB 2.193 40.103 38.000 -0.151 0.000 1.282 245 I HN 0.900 nan 8.210 nan 0.000 0.432 246 E N 3.176 123.166 120.200 -0.350 0.000 2.430 246 E HA 0.607 4.956 4.350 -0.001 0.000 0.279 246 E C -1.500 174.883 176.600 -0.362 0.000 1.003 246 E CA -0.413 55.805 56.400 -0.305 0.000 0.801 246 E CB 2.043 31.594 29.700 -0.247 0.000 1.313 246 E HN 0.618 nan 8.360 nan 0.000 0.459 247 T N -0.943 113.504 114.554 -0.179 0.000 2.932 247 T HA 0.664 5.013 4.350 -0.001 0.000 0.289 247 T C -0.265 174.514 174.700 0.131 0.000 1.039 247 T CA -0.615 61.414 62.100 -0.118 0.000 1.024 247 T CB 1.112 69.886 68.868 -0.156 0.000 1.090 247 T HN 0.514 nan 8.240 nan 0.000 0.496 248 S N 0.871 116.617 115.700 0.077 0.000 2.516 248 S HA 0.291 4.761 4.470 -0.001 0.000 0.282 248 S C 0.240 174.801 174.600 -0.065 0.000 1.286 248 S CA -0.749 57.378 58.200 -0.122 0.000 1.066 248 S CB 0.384 63.349 63.200 -0.392 0.000 0.884 248 S HN 0.821 nan 8.310 nan 0.000 0.491 249 K N 0.953 121.276 120.400 -0.127 0.000 2.469 249 K HA 0.222 4.541 4.320 -0.001 0.000 0.204 249 K C -0.109 176.348 176.600 -0.239 0.000 1.047 249 K CA -0.347 55.803 56.287 -0.228 0.000 1.072 249 K CB 0.385 32.610 32.500 -0.458 0.000 0.863 249 K HN 0.611 nan 8.250 nan 0.000 0.530 250 M N 2.469 122.027 119.600 -0.069 0.000 2.200 250 M HA 0.052 4.532 4.480 -0.001 0.000 0.355 250 M C 0.018 176.409 176.300 0.151 0.000 1.283 250 M CA -0.047 55.260 55.300 0.011 0.000 1.124 250 M CB 0.535 33.135 32.600 0.000 0.000 1.625 250 M HN 0.031 nan 8.290 nan 0.000 0.463 251 E N 3.311 123.568 120.200 0.094 0.000 2.502 251 E HA 0.222 4.572 4.350 -0.001 0.000 0.261 251 E C 0.881 177.559 176.600 0.130 0.000 0.974 251 E CA 1.322 57.775 56.400 0.088 0.000 0.936 251 E CB 0.064 29.790 29.700 0.043 0.000 0.926 251 E HN 0.993 nan 8.360 nan 0.000 0.459 252 G N 3.736 112.554 108.800 0.031 0.000 2.217 252 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.246 252 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.246 252 G C 0.072 174.772 174.900 -0.332 0.000 0.990 252 G CA 0.269 45.285 45.100 -0.140 0.000 0.627 252 G HN 0.662 nan 8.290 nan 0.000 0.522 253 W N 1.693 122.990 121.300 -0.005 0.000 2.771 253 W HA 0.621 5.281 4.660 -0.001 0.000 0.412 253 W C 0.333 176.811 176.519 -0.068 0.000 0.965 253 W CA -0.568 56.772 57.345 -0.009 0.000 2.045 253 W CB 0.531 30.063 29.460 0.119 0.000 1.176 253 W HN 0.133 nan 8.180 nan 0.000 0.634 254 E N 1.135 121.374 120.200 0.065 0.000 2.465 254 E HA -0.036 4.314 4.350 -0.001 0.000 0.260 254 E C 0.710 177.313 176.600 0.004 0.000 0.980 254 E CA 0.977 57.395 56.400 0.030 0.000 0.927 254 E CB 0.102 29.809 29.700 0.012 0.000 0.934 254 E HN 0.049 nan 8.360 nan 0.000 0.459 255 D N 1.741 122.154 120.400 0.021 0.000 3.046 255 D HA -0.211 4.428 4.640 -0.001 0.000 0.210 255 D C 0.843 177.105 176.300 -0.063 0.000 1.124 255 D CA 0.836 54.856 54.000 0.033 0.000 0.986 255 D CB -0.182 40.661 40.800 0.071 0.000 1.118 255 D HN 0.384 nan 8.370 nan 0.000 0.416 256 K N -0.766 119.559 120.400 -0.125 0.000 2.076 256 K HA -0.012 4.308 4.320 -0.001 0.000 0.204 256 K C 0.755 176.984 176.600 -0.618 0.000 1.051 256 K CA 1.221 57.298 56.287 -0.350 0.000 0.949 256 K CB 0.166 32.533 32.500 -0.222 0.000 0.726 256 K HN 0.301 nan 8.250 nan 0.000 0.443 257 Y N -1.387 118.844 120.300 -0.115 0.000 2.588 257 Y HA 0.531 5.081 4.550 -0.001 0.000 0.343 257 Y C -0.456 175.341 175.900 -0.173 0.000 1.065 257 Y CA -1.548 56.469 58.100 -0.139 0.000 1.038 257 Y CB 1.880 40.224 38.460 -0.194 0.000 1.297 257 Y HN -0.086 nan 8.280 nan 0.000 0.467 258 A N 1.889 124.664 122.820 -0.075 0.000 2.423 258 A HA 0.880 5.200 4.320 -0.001 0.000 0.304 258 A C -1.727 175.600 177.584 -0.428 0.000 1.104 258 A CA -0.817 50.973 52.037 -0.412 0.000 0.757 258 A CB 1.587 20.136 19.000 -0.752 0.000 1.313 258 A HN 0.762 nan 8.150 nan 0.000 0.423 259 I N 0.350 120.521 120.570 -0.666 0.000 2.619 259 I HA 0.731 4.900 4.170 -0.001 0.000 0.292 259 I C -0.402 175.447 176.117 -0.445 0.000 1.100 259 I CA -0.645 60.259 61.300 -0.660 0.000 1.043 259 I CB 1.905 39.164 38.000 -1.236 0.000 1.239 259 I HN 0.886 nan 8.210 nan 0.000 0.420 260 A N 4.694 127.355 122.820 -0.265 0.000 2.374 260 A HA 0.892 5.212 4.320 -0.001 0.000 0.317 260 A C -0.565 176.954 177.584 -0.109 0.000 1.094 260 A CA -0.456 51.471 52.037 -0.182 0.000 0.765 260 A CB 1.603 20.527 19.000 -0.127 0.000 1.268 260 A HN 0.849 nan 8.150 nan 0.000 0.438 261 G N -0.129 108.612 108.800 -0.098 0.000 2.452 261 G HA2 0.723 4.683 3.960 -0.001 0.000 0.324 261 G HA3 0.723 4.683 3.960 -0.001 0.000 0.324 261 G C -0.462 174.422 174.900 -0.027 0.000 1.214 261 G CA 0.141 45.221 45.100 -0.032 0.000 0.947 261 G HN 1.475 nan 8.290 nan 0.000 0.478 262 A N 1.297 124.128 122.820 0.019 0.000 2.355 262 A HA 0.671 4.991 4.320 -0.001 0.000 0.324 262 A C 0.042 177.746 177.584 0.200 0.000 1.117 262 A CA -0.654 51.403 52.037 0.034 0.000 0.785 262 A CB 1.142 20.122 19.000 -0.033 0.000 1.254 262 A HN 0.638 nan 8.150 nan 0.000 0.453 263 Y N 0.142 120.462 120.300 0.033 0.000 2.243 263 Y HA 0.069 4.618 4.550 -0.001 0.000 0.293 263 Y C 0.710 176.732 175.900 0.203 0.000 1.124 263 Y CA 0.525 58.690 58.100 0.108 0.000 1.159 263 Y CB 0.195 38.733 38.460 0.129 0.000 1.008 263 Y HN 0.674 nan 8.280 nan 0.000 0.527 264 W N 1.470 122.871 121.300 0.169 0.000 3.042 264 W HA 0.303 4.963 4.660 -0.001 0.000 0.337 264 W C -3.073 173.467 176.519 0.036 0.000 1.086 264 W CA -2.284 55.117 57.345 0.093 0.000 1.236 264 W CB 2.103 31.612 29.460 0.081 0.000 1.381 264 W HN -0.164 nan 8.180 nan 0.000 0.472 265 P HA 0.150 nan 4.420 nan 0.000 0.273 265 P C -2.550 174.387 177.300 -0.605 0.000 1.250 265 P CA -0.934 61.319 63.100 -1.410 0.000 0.793 265 P CB 0.098 31.259 31.700 -0.898 0.000 1.011 266 P HA 0.115 nan 4.420 nan 0.000 0.273 266 P C -0.790 176.408 177.300 -0.170 0.000 1.428 266 P CA 0.408 63.385 63.100 -0.204 0.000 0.995 266 P CB -0.317 31.302 31.700 -0.136 0.000 1.286 267 Q N 2.753 122.487 119.800 -0.110 0.000 2.702 267 Q HA 0.478 4.817 4.340 -0.001 0.000 0.289 267 Q C -1.664 174.321 176.000 -0.026 0.000 0.923 267 Q CA -1.083 54.644 55.803 -0.127 0.000 0.787 267 Q CB 1.009 29.634 28.738 -0.187 0.000 1.476 267 Q HN 0.316 nan 8.270 nan 0.000 0.402 268 Y N -1.624 118.615 120.300 -0.101 0.000 2.570 268 Y HA 0.878 5.427 4.550 -0.001 0.000 0.345 268 Y C -1.474 174.350 175.900 -0.126 0.000 1.014 268 Y CA -1.335 56.692 58.100 -0.122 0.000 1.063 268 Y CB 2.101 40.479 38.460 -0.137 0.000 1.272 268 Y HN 0.583 nan 8.280 nan 0.000 0.477 269 V N 4.648 124.585 119.914 0.037 0.000 2.623 269 V HA 0.532 4.652 4.120 -0.001 0.000 0.304 269 V C -1.158 174.903 176.094 -0.055 0.000 1.054 269 V CA -0.959 61.307 62.300 -0.056 0.000 0.882 269 V CB 1.438 33.210 31.823 -0.085 0.000 1.002 269 V HN 0.839 nan 8.190 nan 0.000 0.424 270 I N 7.705 128.241 120.570 -0.056 0.000 2.342 270 I HA 0.432 4.601 4.170 -0.001 0.000 0.291 270 I C 0.118 176.179 176.117 -0.094 0.000 1.010 270 I CA 0.015 61.254 61.300 -0.101 0.000 1.308 270 I CB 1.460 39.394 38.000 -0.110 0.000 1.400 270 I HN 0.524 nan 8.210 nan 0.000 0.488 271 M N 4.650 124.212 119.600 -0.063 0.000 2.598 271 M HA 0.313 4.792 4.480 -0.001 0.000 0.317 271 M C -0.287 176.074 176.300 0.102 0.000 1.179 271 M CA -0.823 54.452 55.300 -0.042 0.000 0.936 271 M CB 1.702 34.244 32.600 -0.097 0.000 1.713 271 M HN 0.435 nan 8.290 nan 0.000 0.460 272 D N 1.136 121.564 120.400 0.046 0.000 2.450 272 D HA 0.010 4.650 4.640 -0.001 0.000 0.247 272 D C 0.886 177.184 176.300 -0.005 0.000 1.162 272 D CA 0.459 54.480 54.000 0.034 0.000 0.879 272 D CB 1.381 42.175 40.800 -0.011 0.000 1.163 272 D HN 0.837 nan 8.370 nan 0.000 0.472 273 G N 3.411 112.169 108.800 -0.070 0.000 2.559 273 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.216 273 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.216 273 G C 1.187 176.053 174.900 -0.057 0.000 1.126 273 G CA 0.309 45.389 45.100 -0.034 0.000 0.778 273 G HN 0.609 nan 8.290 nan 0.000 0.543 274 E N -0.893 119.237 120.200 -0.117 0.000 2.372 274 E HA 0.005 4.354 4.350 -0.001 0.000 0.201 274 E C 2.368 178.880 176.600 -0.148 0.000 0.938 274 E CA 1.036 57.301 56.400 -0.226 0.000 0.944 274 E CB 0.487 30.111 29.700 -0.127 0.000 0.937 274 E HN 0.495 nan 8.360 nan 0.000 0.495 275 T N -2.273 112.283 114.554 0.004 0.000 2.959 275 T HA 0.225 4.574 4.350 -0.001 0.000 0.254 275 T C 1.127 175.999 174.700 0.287 0.000 1.003 275 T CA -0.247 61.946 62.100 0.155 0.000 0.950 275 T CB 0.435 69.481 68.868 0.297 0.000 1.090 275 T HN 0.115 nan 8.240 nan 0.000 0.503 276 L N 0.177 121.475 121.223 0.125 0.000 4.800 276 L HA -0.141 4.198 4.340 -0.001 0.000 0.412 276 L C 0.300 176.955 176.870 -0.358 0.000 1.063 276 L CA 0.381 55.240 54.840 0.032 0.000 1.114 276 L CB -1.759 40.393 42.059 0.154 0.000 2.089 276 L HN 0.535 nan 8.230 nan 0.000 0.686 277 E N 3.544 123.471 120.200 -0.455 0.000 2.480 277 E HA 0.056 4.405 4.350 -0.001 0.000 0.258 277 E C -1.930 174.305 176.600 -0.608 0.000 0.984 277 E CA -1.340 54.412 56.400 -1.080 0.000 0.930 277 E CB 0.700 30.008 29.700 -0.654 0.000 0.936 277 E HN 0.058 nan 8.360 nan 0.000 0.466 278 P HA 0.015 nan 4.420 nan 0.000 0.276 278 P C -0.533 176.629 177.300 -0.229 0.000 1.253 278 P CA -0.050 62.855 63.100 -0.326 0.000 0.766 278 P CB 1.121 32.655 31.700 -0.277 0.000 0.845 279 K N 1.939 122.253 120.400 -0.145 0.000 2.306 279 K HA 0.160 4.479 4.320 -0.001 0.000 0.200 279 K C 0.457 177.002 176.600 -0.092 0.000 1.083 279 K CA 0.769 57.002 56.287 -0.091 0.000 0.959 279 K CB 0.319 32.806 32.500 -0.022 0.000 0.994 279 K HN 0.284 nan 8.250 nan 0.000 0.492 280 K N 0.941 121.277 120.400 -0.107 0.000 2.581 280 K HA 0.410 4.729 4.320 -0.001 0.000 0.249 280 K C -1.569 174.940 176.600 -0.152 0.000 0.966 280 K CA -0.084 56.134 56.287 -0.115 0.000 0.811 280 K CB 0.961 33.401 32.500 -0.100 0.000 1.223 280 K HN -0.107 nan 8.250 nan 0.000 0.438 281 I N 3.987 124.451 120.570 -0.177 0.000 2.354 281 I HA 0.383 4.553 4.170 -0.001 0.000 0.292 281 I C -0.309 175.611 176.117 -0.329 0.000 0.989 281 I CA -0.831 60.327 61.300 -0.237 0.000 1.188 281 I CB 1.690 39.590 38.000 -0.166 0.000 1.342 281 I HN 0.326 nan 8.210 nan 0.000 0.457 282 Q N 4.349 123.804 119.800 -0.574 0.000 2.330 282 Q HA 0.340 4.679 4.340 -0.001 0.000 0.269 282 Q C -0.545 175.161 176.000 -0.490 0.000 1.022 282 Q CA -0.481 54.957 55.803 -0.609 0.000 0.796 282 Q CB 2.455 30.606 28.738 -0.980 0.000 1.271 282 Q HN 0.688 nan 8.270 nan 0.000 0.450 283 S N 0.872 116.414 115.700 -0.263 0.000 2.576 283 S HA 0.184 4.654 4.470 -0.001 0.000 0.276 283 S C 0.914 175.448 174.600 -0.110 0.000 1.339 283 S CA 0.190 58.288 58.200 -0.170 0.000 1.039 283 S CB 0.441 63.581 63.200 -0.100 0.000 0.902 283 S HN 0.665 nan 8.310 nan 0.000 0.516 284 T N 1.722 116.237 114.554 -0.065 0.000 3.054 284 T HA 0.334 4.683 4.350 -0.001 0.000 0.255 284 T C 0.475 175.164 174.700 -0.017 0.000 1.035 284 T CA -0.387 61.708 62.100 -0.009 0.000 0.941 284 T CB -0.097 68.785 68.868 0.023 0.000 1.026 284 T HN 0.552 nan 8.240 nan 0.000 0.533 285 R N 1.091 121.585 120.500 -0.012 0.000 2.570 285 R HA 0.549 4.888 4.340 -0.001 0.000 0.277 285 R C 0.857 177.197 176.300 0.067 0.000 1.039 285 R CA 1.000 57.107 56.100 0.011 0.000 1.065 285 R CB 0.404 30.768 30.300 0.108 0.000 0.964 285 R HN 0.568 nan 8.270 nan 0.000 0.428 286 G N 1.375 110.167 108.800 -0.014 0.000 2.356 286 G HA2 0.178 4.138 3.960 -0.001 0.000 0.281 286 G HA3 0.178 4.138 3.960 -0.001 0.000 0.281 286 G C -1.538 173.388 174.900 0.043 0.000 1.246 286 G CA -0.924 44.239 45.100 0.105 0.000 0.889 286 G HN 0.246 nan 8.290 nan 0.000 0.486 287 M N 1.989 121.643 119.600 0.089 0.000 2.318 287 M HA 0.394 4.874 4.480 -0.001 0.000 0.347 287 M C 0.908 177.230 176.300 0.037 0.000 1.175 287 M CA -0.638 54.707 55.300 0.075 0.000 1.075 287 M CB 0.626 33.276 32.600 0.085 0.000 1.614 287 M HN 0.823 nan 8.290 nan 0.000 0.456 288 T N 0.000 114.567 114.554 0.021 0.000 2.932 288 T HA 0.077 4.427 4.350 -0.001 0.000 0.312 288 T C 1.027 175.719 174.700 -0.013 0.000 1.071 288 T CA -0.231 61.869 62.100 -0.001 0.000 1.128 288 T CB 0.233 69.080 68.868 -0.035 0.000 0.984 288 T HN 0.675 nan 8.240 nan 0.000 0.549 289 Y N 2.078 122.352 120.300 -0.044 0.000 2.242 289 Y HA -0.039 4.510 4.550 -0.001 0.000 0.291 289 Y C 1.690 177.578 175.900 -0.020 0.000 1.137 289 Y CA 1.518 59.599 58.100 -0.032 0.000 1.181 289 Y CB -0.655 37.780 38.460 -0.042 0.000 0.989 289 Y HN 0.698 nan 8.280 nan 0.000 0.527 290 D N 0.007 119.715 120.400 -1.152 0.000 2.320 290 D HA -0.096 4.543 4.640 -0.001 0.000 0.228 290 D C 1.428 177.503 176.300 -0.374 0.000 0.978 290 D CA 1.326 54.773 54.000 -0.922 0.000 0.905 290 D CB -0.856 39.275 40.800 -1.116 0.000 1.051 290 D HN 0.575 nan 8.370 nan 0.000 0.471 291 E N 0.118 120.149 120.200 -0.281 0.000 2.442 291 E HA 0.029 4.379 4.350 -0.001 0.000 0.195 291 E C -0.198 176.350 176.600 -0.086 0.000 1.030 291 E CA -0.065 56.253 56.400 -0.137 0.000 0.869 291 E CB -0.045 29.599 29.700 -0.093 0.000 0.857 291 E HN 0.255 nan 8.360 nan 0.000 0.505 292 Q N 1.179 120.925 119.800 -0.091 0.000 2.448 292 Q HA -0.225 4.114 4.340 -0.001 0.000 0.356 292 Q C -0.469 175.534 176.000 0.006 0.000 1.430 292 Q CA 0.689 56.474 55.803 -0.030 0.000 1.011 292 Q CB -1.512 27.214 28.738 -0.020 0.000 1.203 292 Q HN 0.361 nan 8.270 nan 0.000 0.351 293 E N 0.848 121.058 120.200 0.018 0.000 2.222 293 E HA 0.325 4.675 4.350 -0.001 0.000 0.267 293 E C -1.136 175.522 176.600 0.097 0.000 0.884 293 E CA -0.949 55.482 56.400 0.053 0.000 0.764 293 E CB 1.146 30.861 29.700 0.025 0.000 1.169 293 E HN 0.262 nan 8.360 nan 0.000 0.413 294 Y N 4.072 124.381 120.300 0.015 0.000 2.620 294 Y HA 0.024 4.573 4.550 -0.001 0.000 0.330 294 Y C -0.792 175.132 175.900 0.040 0.000 1.186 294 Y CA 0.530 58.649 58.100 0.033 0.000 1.467 294 Y CB 0.345 38.815 38.460 0.017 0.000 1.262 294 Y HN 0.460 nan 8.280 nan 0.000 0.550 295 H N 8.799 127.435 119.070 -0.723 0.000 2.589 295 H HA 0.290 4.846 4.556 -0.001 0.000 0.335 295 H C -2.239 172.611 175.328 -0.797 0.000 1.019 295 H CA -2.511 53.212 56.048 -0.542 0.000 1.213 295 H CB 2.316 31.913 29.762 -0.275 0.000 1.472 295 H HN 0.493 nan 8.280 nan 0.000 0.508 296 P HA 0.063 nan 4.420 nan 0.000 0.249 296 P C 0.035 177.449 177.300 0.189 0.000 1.229 296 P CA 0.496 63.539 63.100 -0.093 0.000 0.788 296 P CB 0.791 32.556 31.700 0.107 0.000 1.072 297 E N 0.697 121.127 120.200 0.382 0.000 3.544 297 E HA 0.268 4.617 4.350 -0.001 0.000 0.264 297 E C -2.751 173.916 176.600 0.111 0.000 1.225 297 E CA -1.799 54.801 56.400 0.333 0.000 1.045 297 E CB 1.031 30.991 29.700 0.432 0.000 1.338 297 E HN 0.028 nan 8.360 nan 0.000 0.395 298 P HA 0.246 nan 4.420 nan 0.000 0.274 298 P C -0.825 176.416 177.300 -0.098 0.000 1.504 298 P CA -0.385 62.586 63.100 -0.215 0.000 1.011 298 P CB 0.313 31.889 31.700 -0.208 0.000 1.366 299 R N 1.684 122.117 120.500 -0.112 0.000 2.590 299 R HA 0.248 4.587 4.340 -0.001 0.000 0.274 299 R C -0.042 176.263 176.300 0.008 0.000 1.061 299 R CA -0.528 55.528 56.100 -0.072 0.000 1.081 299 R CB 0.416 30.486 30.300 -0.383 0.000 0.984 299 R HN 0.211 nan 8.270 nan 0.000 0.448 300 V N 3.516 123.506 119.914 0.127 0.000 2.455 300 V HA 0.203 4.322 4.120 -0.001 0.000 0.273 300 V C 0.743 176.953 176.094 0.193 0.000 1.045 300 V CA 0.222 62.591 62.300 0.116 0.000 0.976 300 V CB 0.768 32.647 31.823 0.094 0.000 0.993 300 V HN 0.997 nan 8.190 nan 0.000 0.475 301 A N 5.094 127.978 122.820 0.107 0.000 3.711 301 A HA 0.889 5.209 4.320 -0.001 0.000 0.185 301 A C 0.969 178.540 177.584 -0.020 0.000 1.697 301 A CA 0.189 52.281 52.037 0.092 0.000 1.787 301 A CB -0.467 18.570 19.000 0.061 0.000 1.545 301 A HN 1.096 nan 8.150 nan 0.000 0.553 302 A N -0.543 122.237 122.820 -0.068 0.000 2.520 302 A HA 0.474 4.794 4.320 -0.001 0.000 0.235 302 A C -0.286 177.251 177.584 -0.079 0.000 1.065 302 A CA 0.477 52.482 52.037 -0.053 0.000 0.764 302 A CB -0.599 18.416 19.000 0.024 0.000 1.002 302 A HN 0.507 nan 8.150 nan 0.000 0.502 303 I N 2.118 122.611 120.570 -0.128 0.000 2.466 303 I HA 0.366 4.536 4.170 -0.001 0.000 0.289 303 I C -0.867 175.136 176.117 -0.190 0.000 1.026 303 I CA -0.393 60.784 61.300 -0.204 0.000 1.078 303 I CB 1.595 39.433 38.000 -0.270 0.000 1.249 303 I HN 0.454 nan 8.210 nan 0.000 0.429 304 L N 5.005 126.085 121.223 -0.240 0.000 2.256 304 L HA 0.879 5.218 4.340 -0.001 0.000 0.261 304 L C -0.170 176.655 176.870 -0.076 0.000 1.022 304 L CA -0.524 54.211 54.840 -0.176 0.000 0.828 304 L CB 1.815 43.714 42.059 -0.268 0.000 1.374 304 L HN 0.645 nan 8.230 nan 0.000 0.436 305 A N 0.075 122.878 122.820 -0.028 0.000 2.343 305 A HA 0.671 4.991 4.320 -0.001 0.000 0.308 305 A C -0.507 176.999 177.584 -0.130 0.000 1.092 305 A CA -0.460 51.570 52.037 -0.012 0.000 0.751 305 A CB 1.419 20.432 19.000 0.021 0.000 1.203 305 A HN 0.514 nan 8.150 nan 0.000 0.452 306 S N 0.536 116.144 115.700 -0.154 0.000 2.572 306 S HA 0.172 4.642 4.470 -0.001 0.000 0.279 306 S C 0.572 175.081 174.600 -0.151 0.000 1.341 306 S CA -0.140 58.004 58.200 -0.094 0.000 1.043 306 S CB 0.050 63.171 63.200 -0.131 0.000 0.887 306 S HN 0.710 nan 8.310 nan 0.000 0.516 307 H N 3.111 122.190 119.070 0.015 0.000 2.652 307 H HA 0.126 4.682 4.556 -0.001 0.000 0.274 307 H C 0.219 175.516 175.328 -0.052 0.000 1.021 307 H CA 0.369 56.415 56.048 -0.003 0.000 1.187 307 H CB 0.350 30.122 29.762 0.017 0.000 1.505 307 H HN 0.705 nan 8.280 nan 0.000 0.530 308 Y N 0.520 120.824 120.300 0.008 0.000 2.524 308 Y HA 0.219 4.768 4.550 -0.001 0.000 0.270 308 Y C 0.798 176.646 175.900 -0.087 0.000 1.094 308 Y CA 0.298 58.378 58.100 -0.034 0.000 1.276 308 Y CB 0.859 39.283 38.460 -0.061 0.000 1.130 308 Y HN -0.131 nan 8.280 nan 0.000 0.536 309 R N 0.058 120.546 120.500 -0.019 0.000 2.808 309 R HA 0.310 4.650 4.340 -0.001 0.000 0.272 309 R C -2.777 173.307 176.300 -0.359 0.000 0.995 309 R CA -2.113 53.888 56.100 -0.165 0.000 0.917 309 R CB 1.229 31.422 30.300 -0.178 0.000 1.217 309 R HN -0.292 nan 8.270 nan 0.000 0.471 310 P HA 0.089 nan 4.420 nan 0.000 0.241 310 P C -1.157 175.145 177.300 -1.663 0.000 1.760 310 P CA 0.360 62.731 63.100 -1.214 0.000 1.081 310 P CB 0.117 30.963 31.700 -1.423 0.000 1.975 311 E N 0.876 120.439 120.200 -1.062 0.000 2.367 311 E HA 0.487 4.836 4.350 -0.001 0.000 0.273 311 E C -0.853 175.457 176.600 -0.483 0.000 0.903 311 E CA -0.820 55.124 56.400 -0.761 0.000 0.764 311 E CB 1.337 30.779 29.700 -0.429 0.000 1.252 311 E HN 0.064 nan 8.360 nan 0.000 0.446 312 F N 1.240 121.105 119.950 -0.142 0.000 2.397 312 F HA 0.441 4.968 4.527 -0.001 0.000 0.331 312 F C 0.283 175.915 175.800 -0.280 0.000 1.090 312 F CA -0.677 57.216 58.000 -0.179 0.000 1.065 312 F CB 0.748 39.627 39.000 -0.201 0.000 1.184 312 F HN 0.227 nan 8.300 nan 0.000 0.499 313 I N 3.462 123.966 120.570 -0.110 0.000 2.359 313 I HA 0.344 4.514 4.170 -0.001 0.000 0.284 313 I C -1.107 174.817 176.117 -0.322 0.000 1.018 313 I CA -0.584 60.538 61.300 -0.297 0.000 1.173 313 I CB 1.159 38.837 38.000 -0.535 0.000 1.326 313 I HN 0.135 nan 8.210 nan 0.000 0.462 314 V N 5.719 125.471 119.914 -0.270 0.000 2.378 314 V HA 0.329 4.449 4.120 -0.001 0.000 0.288 314 V C -0.035 175.981 176.094 -0.130 0.000 1.016 314 V CA -0.803 61.343 62.300 -0.256 0.000 0.840 314 V CB 1.443 33.016 31.823 -0.418 0.000 0.994 314 V HN 0.581 nan 8.190 nan 0.000 0.431 315 N N 3.250 121.914 118.700 -0.059 0.000 2.458 315 N HA 0.361 5.100 4.740 -0.001 0.000 0.270 315 N C -0.561 174.944 175.510 -0.008 0.000 1.102 315 N CA -0.081 52.976 53.050 0.013 0.000 0.967 315 N CB 1.803 40.335 38.487 0.076 0.000 1.078 315 N HN 0.436 nan 8.380 nan 0.000 0.471 316 V N 3.713 123.615 119.914 -0.019 0.000 2.293 316 V HA 0.174 4.293 4.120 -0.001 0.000 0.275 316 V C 1.526 177.579 176.094 -0.070 0.000 1.021 316 V CA -0.702 61.578 62.300 -0.034 0.000 0.815 316 V CB 1.306 33.111 31.823 -0.031 0.000 1.025 316 V HN 0.675 nan 8.190 nan 0.000 0.448 317 K N 3.408 123.766 120.400 -0.071 0.000 1.978 317 K HA -0.195 4.125 4.320 -0.001 0.000 0.214 317 K C 1.613 178.072 176.600 -0.235 0.000 1.049 317 K CA 2.192 58.426 56.287 -0.089 0.000 0.939 317 K CB 0.207 32.690 32.500 -0.029 0.000 0.721 317 K HN 0.670 nan 8.250 nan 0.000 0.441 318 E N -0.316 119.681 120.200 -0.339 0.000 2.204 318 E HA -0.102 4.247 4.350 -0.001 0.000 0.194 318 E C 1.752 178.082 176.600 -0.450 0.000 0.989 318 E CA 1.737 57.813 56.400 -0.540 0.000 0.824 318 E CB -0.007 29.198 29.700 -0.824 0.000 0.756 318 E HN 0.615 nan 8.360 nan 0.000 0.477 319 T N -3.608 110.766 114.554 -0.300 0.000 3.065 319 T HA 0.224 4.574 4.350 -0.001 0.000 0.252 319 T C 1.534 176.230 174.700 -0.007 0.000 1.099 319 T CA 0.215 62.237 62.100 -0.130 0.000 1.063 319 T CB 0.211 69.026 68.868 -0.088 0.000 0.948 319 T HN 0.211 nan 8.240 nan 0.000 0.506 320 G N 2.174 110.926 108.800 -0.079 0.000 2.246 320 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.273 320 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.273 320 G C -0.290 174.536 174.900 -0.123 0.000 1.055 320 G CA -0.191 44.856 45.100 -0.089 0.000 0.851 320 G HN 0.563 nan 8.290 nan 0.000 0.500 321 K N -0.148 120.209 120.400 -0.072 0.000 2.270 321 K HA 0.628 4.947 4.320 -0.001 0.000 0.255 321 K C 0.155 176.724 176.600 -0.051 0.000 0.936 321 K CA -0.858 55.394 56.287 -0.058 0.000 0.809 321 K CB 2.151 34.641 32.500 -0.017 0.000 1.131 321 K HN 0.244 nan 8.250 nan 0.000 0.427 322 I N 4.125 124.666 120.570 -0.050 0.000 2.339 322 I HA 0.273 4.443 4.170 -0.001 0.000 0.290 322 I C -0.132 175.958 176.117 -0.046 0.000 0.994 322 I CA -0.741 60.546 61.300 -0.021 0.000 1.191 322 I CB 0.828 38.847 38.000 0.033 0.000 1.343 322 I HN 0.229 nan 8.210 nan 0.000 0.458 323 L N 7.198 128.377 121.223 -0.072 0.000 2.289 323 L HA 0.490 4.830 4.340 -0.001 0.000 0.285 323 L C -0.500 176.294 176.870 -0.125 0.000 1.049 323 L CA -0.620 54.169 54.840 -0.086 0.000 0.804 323 L CB 1.033 43.041 42.059 -0.084 0.000 1.195 323 L HN 0.435 nan 8.230 nan 0.000 0.428 324 L N 4.814 125.971 121.223 -0.111 0.000 2.264 324 L HA 0.412 4.752 4.340 -0.001 0.000 0.287 324 L C -0.536 176.252 176.870 -0.137 0.000 1.039 324 L CA -0.602 54.155 54.840 -0.139 0.000 0.829 324 L CB 1.490 43.469 42.059 -0.135 0.000 1.211 324 L HN 0.325 nan 8.230 nan 0.000 0.427 325 V N 1.991 121.817 119.914 -0.146 0.000 2.328 325 V HA 0.177 4.296 4.120 -0.001 0.000 0.278 325 V C 0.031 176.001 176.094 -0.206 0.000 1.021 325 V CA -0.611 61.623 62.300 -0.111 0.000 0.838 325 V CB 1.641 33.438 31.823 -0.043 0.000 0.999 325 V HN 0.597 nan 8.190 nan 0.000 0.447 326 D N 4.377 124.628 120.400 -0.248 0.000 2.325 326 D HA 0.091 4.730 4.640 -0.001 0.000 0.251 326 D C 0.345 176.412 176.300 -0.388 0.000 1.196 326 D CA -0.309 53.438 54.000 -0.422 0.000 0.866 326 D CB 1.212 41.818 40.800 -0.324 0.000 1.101 326 D HN 0.653 nan 8.370 nan 0.000 0.476 327 Y N 1.169 121.191 120.300 -0.464 0.000 2.470 327 Y HA 0.135 4.685 4.550 -0.001 0.000 0.284 327 Y C 1.891 177.514 175.900 -0.461 0.000 1.188 327 Y CA 0.062 57.860 58.100 -0.503 0.000 1.269 327 Y CB -0.734 37.332 38.460 -0.656 0.000 1.094 327 Y HN 0.237 nan 8.280 nan 0.000 0.518 328 T N -3.401 110.917 114.554 -0.393 0.000 2.995 328 T HA -0.046 4.304 4.350 -0.001 0.000 0.269 328 T C 0.180 174.916 174.700 0.060 0.000 1.091 328 T CA 1.010 63.010 62.100 -0.168 0.000 1.128 328 T CB -0.031 68.764 68.868 -0.121 0.000 0.891 328 T HN 0.318 nan 8.240 nan 0.000 0.492 329 D N -0.133 120.256 120.400 -0.018 0.000 2.478 329 D HA 0.264 4.904 4.640 -0.001 0.000 0.240 329 D C 0.485 176.775 176.300 -0.017 0.000 1.364 329 D CA -0.495 53.515 54.000 0.018 0.000 0.987 329 D CB 0.991 41.796 40.800 0.009 0.000 1.328 329 D HN 0.160 nan 8.370 nan 0.000 0.584 330 L N 1.894 123.113 121.223 -0.006 0.000 2.492 330 L HA 0.096 4.435 4.340 -0.001 0.000 0.223 330 L C 1.199 178.054 176.870 -0.025 0.000 1.132 330 L CA 0.392 55.211 54.840 -0.036 0.000 0.850 330 L CB 0.198 42.226 42.059 -0.053 0.000 0.966 330 L HN 0.279 nan 8.230 nan 0.000 0.454 331 D N -0.181 120.214 120.400 -0.009 0.000 2.259 331 D HA -0.003 4.637 4.640 -0.001 0.000 0.216 331 D C 0.658 176.949 176.300 -0.015 0.000 0.961 331 D CA 0.785 54.779 54.000 -0.010 0.000 0.878 331 D CB 0.154 40.955 40.800 0.001 0.000 1.009 331 D HN 0.241 nan 8.370 nan 0.000 0.490 332 N N 1.544 120.236 118.700 -0.013 0.000 3.091 332 N HA 0.142 4.881 4.740 -0.001 0.000 0.255 332 N C -0.561 174.933 175.510 -0.028 0.000 1.204 332 N CA -0.239 52.800 53.050 -0.018 0.000 0.990 332 N CB 1.442 39.922 38.487 -0.012 0.000 1.260 332 N HN 0.067 nan 8.380 nan 0.000 0.502 333 L N 1.769 122.973 121.223 -0.031 0.000 2.369 333 L HA 0.157 4.496 4.340 -0.001 0.000 0.279 333 L C 0.126 176.971 176.870 -0.042 0.000 1.108 333 L CA 0.035 54.852 54.840 -0.039 0.000 0.852 333 L CB 0.157 42.197 42.059 -0.032 0.000 1.169 333 L HN 0.082 nan 8.230 nan 0.000 0.452 334 K N 3.929 124.292 120.400 -0.061 0.000 2.248 334 K HA 0.461 4.780 4.320 -0.001 0.000 0.281 334 K C -0.206 176.351 176.600 -0.071 0.000 1.054 334 K CA -0.336 55.911 56.287 -0.067 0.000 0.903 334 K CB 0.871 33.320 32.500 -0.085 0.000 1.077 334 K HN 0.743 nan 8.250 nan 0.000 0.474 335 T N -1.104 113.420 114.554 -0.051 0.000 2.906 335 T HA 0.407 4.757 4.350 -0.001 0.000 0.295 335 T C -0.324 174.347 174.700 -0.049 0.000 1.061 335 T CA -0.819 61.253 62.100 -0.047 0.000 1.000 335 T CB 1.772 70.635 68.868 -0.007 0.000 1.103 335 T HN 0.263 nan 8.240 nan 0.000 0.486 336 T N 2.393 116.912 114.554 -0.058 0.000 2.791 336 T HA 0.396 4.745 4.350 -0.001 0.000 0.288 336 T C -0.528 174.147 174.700 -0.043 0.000 0.999 336 T CA -0.653 61.416 62.100 -0.052 0.000 0.952 336 T CB 0.898 69.727 68.868 -0.066 0.000 0.938 336 T HN 0.680 nan 8.240 nan 0.000 0.444 337 E N 3.273 123.457 120.200 -0.027 0.000 2.014 337 E HA 0.286 4.636 4.350 -0.001 0.000 0.275 337 E C -0.330 176.256 176.600 -0.023 0.000 0.997 337 E CA -0.281 56.108 56.400 -0.018 0.000 0.804 337 E CB 0.793 30.493 29.700 0.001 0.000 1.090 337 E HN 0.574 nan 8.360 nan 0.000 0.401 338 I N 2.493 123.039 120.570 -0.038 0.000 2.312 338 I HA 0.066 4.236 4.170 -0.001 0.000 0.291 338 I C 0.334 176.409 176.117 -0.070 0.000 1.031 338 I CA -0.319 60.949 61.300 -0.053 0.000 1.293 338 I CB 1.220 39.180 38.000 -0.066 0.000 1.403 338 I HN 0.301 nan 8.210 nan 0.000 0.484 339 S N 5.174 120.840 115.700 -0.057 0.000 2.498 339 S HA 0.407 4.877 4.470 -0.001 0.000 0.281 339 S C 0.557 174.987 174.600 -0.285 0.000 1.265 339 S CA -0.207 57.940 58.200 -0.089 0.000 1.071 339 S CB 1.138 64.383 63.200 0.074 0.000 0.894 339 S HN 0.800 nan 8.310 nan 0.000 0.491 340 A N 3.491 125.974 122.820 -0.561 0.000 2.522 340 A HA 0.818 5.138 4.320 -0.001 0.000 0.204 340 A C -0.264 176.792 177.584 -0.879 0.000 1.826 340 A CA -0.207 51.509 52.037 -0.535 0.000 1.652 340 A CB 0.182 18.990 19.000 -0.320 0.000 1.452 340 A HN 0.595 nan 8.150 nan 0.000 0.477 341 E N -0.152 119.660 120.200 -0.648 0.000 2.352 341 E HA 0.499 4.849 4.350 -0.001 0.000 0.280 341 E C -1.091 175.413 176.600 -0.159 0.000 0.930 341 E CA -0.481 55.664 56.400 -0.425 0.000 0.765 341 E CB 1.213 30.822 29.700 -0.152 0.000 1.219 341 E HN 0.450 nan 8.360 nan 0.000 0.434 342 R N 2.197 122.728 120.500 0.051 0.000 2.784 342 R HA 0.280 4.620 4.340 -0.001 0.000 0.266 342 R C -0.285 175.964 176.300 -0.085 0.000 1.044 342 R CA 0.442 56.450 56.100 -0.154 0.000 1.151 342 R CB 0.047 30.121 30.300 -0.376 0.000 1.037 342 R HN 0.685 nan 8.270 nan 0.000 0.478 343 F N -1.518 118.446 119.950 0.024 0.000 2.893 343 F HA -0.207 4.320 4.527 -0.001 0.000 0.287 343 F C 0.008 175.831 175.800 0.039 0.000 0.766 343 F CA -0.155 57.858 58.000 0.023 0.000 1.362 343 F CB -2.054 36.960 39.000 0.023 0.000 1.518 343 F HN 0.395 nan 8.300 nan 0.000 0.417 344 L N 0.320 121.602 121.223 0.098 0.000 2.525 344 L HA 0.136 4.476 4.340 -0.001 0.000 0.278 344 L C 1.330 178.314 176.870 0.189 0.000 1.218 344 L CA 0.745 55.638 54.840 0.089 0.000 0.878 344 L CB 0.550 42.621 42.059 0.019 0.000 1.127 344 L HN 0.364 nan 8.230 nan 0.000 0.492 345 H N 0.807 119.914 119.070 0.062 0.000 5.120 345 H HA 0.211 4.766 4.556 -0.001 0.000 0.090 345 H C -0.680 174.698 175.328 0.083 0.000 1.292 345 H CA 0.154 56.254 56.048 0.085 0.000 0.528 345 H CB 0.486 30.301 29.762 0.089 0.000 1.593 345 H HN 0.713 nan 8.280 nan 0.000 0.138 346 D N -0.031 120.354 120.400 -0.025 0.000 2.440 346 D HA 0.561 5.200 4.640 -0.001 0.000 0.258 346 D C 0.400 176.737 176.300 0.061 0.000 1.092 346 D CA -0.288 53.688 54.000 -0.040 0.000 1.016 346 D CB 1.839 42.586 40.800 -0.087 0.000 1.141 346 D HN 0.717 nan 8.370 nan 0.000 0.552 347 G N -2.619 106.275 108.800 0.157 0.000 2.342 347 G HA2 0.600 4.559 3.960 -0.001 0.000 0.297 347 G HA3 0.600 4.559 3.960 -0.001 0.000 0.297 347 G C -1.201 173.925 174.900 0.376 0.000 1.313 347 G CA -0.361 44.854 45.100 0.193 0.000 0.830 347 G HN 0.835 nan 8.290 nan 0.000 0.506 348 G N -1.455 107.591 108.800 0.411 0.000 2.682 348 G HA2 0.662 4.622 3.960 -0.001 0.000 0.290 348 G HA3 0.662 4.622 3.960 -0.001 0.000 0.290 348 G C -1.073 174.153 174.900 0.543 0.000 1.425 348 G CA -0.881 44.563 45.100 0.574 0.000 0.807 348 G HN 0.698 nan 8.290 nan 0.000 0.482 349 L N 1.445 123.057 121.223 0.648 0.000 2.375 349 L HA 0.306 4.646 4.340 -0.001 0.000 0.271 349 L C 0.774 177.879 176.870 0.392 0.000 1.107 349 L CA -1.050 54.042 54.840 0.420 0.000 0.806 349 L CB 1.014 43.271 42.059 0.330 0.000 1.146 349 L HN 0.762 nan 8.230 nan 0.000 0.447 350 D N 1.560 122.129 120.400 0.283 0.000 2.372 350 D HA -0.040 4.600 4.640 -0.001 0.000 0.243 350 D C 1.163 177.584 176.300 0.202 0.000 1.297 350 D CA 0.086 54.255 54.000 0.281 0.000 0.958 350 D CB 0.756 41.738 40.800 0.304 0.000 1.114 350 D HN 0.620 nan 8.370 nan 0.000 0.496 351 G N -0.808 108.068 108.800 0.126 0.000 2.450 351 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.220 351 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.220 351 G C 1.501 176.314 174.900 -0.146 0.000 1.130 351 G CA 1.312 46.395 45.100 -0.029 0.000 0.760 351 G HN 0.599 nan 8.290 nan 0.000 0.557 352 S N -1.156 114.544 115.700 -0.001 0.000 2.558 352 S HA 0.048 4.518 4.470 -0.001 0.000 0.217 352 S C 1.177 175.839 174.600 0.103 0.000 0.975 352 S CA 0.754 58.965 58.200 0.019 0.000 0.912 352 S CB -0.219 63.067 63.200 0.143 0.000 0.776 352 S HN 0.498 nan 8.310 nan 0.000 0.526 353 H N -0.058 119.043 119.070 0.053 0.000 2.992 353 H HA -0.125 4.430 4.556 -0.001 0.000 0.266 353 H C 1.107 176.517 175.328 0.137 0.000 1.200 353 H CA 1.216 57.274 56.048 0.017 0.000 1.135 353 H CB -1.664 27.966 29.762 -0.220 0.000 1.282 353 H HN 0.648 nan 8.280 nan 0.000 0.351 354 R N -0.573 119.985 120.500 0.097 0.000 2.146 354 R HA 0.090 4.429 4.340 -0.001 0.000 0.206 354 R C -0.120 175.850 176.300 -0.549 0.000 1.049 354 R CA 0.540 56.334 56.100 -0.510 0.000 1.029 354 R CB 0.620 30.363 30.300 -0.927 0.000 0.949 354 R HN 0.085 nan 8.270 nan 0.000 0.471 355 Y N -0.140 120.162 120.300 0.004 0.000 2.341 355 Y HA 0.293 4.843 4.550 -0.001 0.000 0.337 355 Y C -0.746 175.163 175.900 0.015 0.000 1.014 355 Y CA -1.329 56.747 58.100 -0.042 0.000 1.111 355 Y CB 1.253 39.694 38.460 -0.031 0.000 1.194 355 Y HN -0.079 nan 8.280 nan 0.000 0.462 356 F N 5.186 125.092 119.950 -0.074 0.000 2.405 356 F HA 0.602 5.128 4.527 -0.001 0.000 0.355 356 F C -0.920 174.733 175.800 -0.246 0.000 1.121 356 F CA -1.790 56.139 58.000 -0.118 0.000 1.112 356 F CB 0.194 39.132 39.000 -0.102 0.000 1.126 356 F HN 0.336 nan 8.300 nan 0.000 0.481 357 I N 5.983 126.138 120.570 -0.692 0.000 2.355 357 I HA 0.315 4.484 4.170 -0.001 0.000 0.288 357 I C -0.102 175.388 176.117 -1.045 0.000 0.999 357 I CA -0.392 60.330 61.300 -0.963 0.000 1.163 357 I CB 1.697 38.916 38.000 -1.303 0.000 1.316 357 I HN 0.577 nan 8.210 nan 0.000 0.454 358 T N 4.704 118.720 114.554 -0.895 0.000 2.900 358 T HA 0.732 5.082 4.350 -0.001 0.000 0.295 358 T C -0.749 173.780 174.700 -0.285 0.000 1.044 358 T CA -0.523 61.204 62.100 -0.622 0.000 0.995 358 T CB 1.489 69.841 68.868 -0.861 0.000 1.072 358 T HN 0.603 nan 8.240 nan 0.000 0.473 359 A N 2.683 125.447 122.820 -0.093 0.000 2.309 359 A HA 0.698 5.018 4.320 -0.001 0.000 0.290 359 A C 0.578 178.177 177.584 0.026 0.000 1.206 359 A CA -0.330 51.702 52.037 -0.007 0.000 0.850 359 A CB -0.009 19.018 19.000 0.045 0.000 1.118 359 A HN 1.151 nan 8.150 nan 0.000 0.523 360 A N 3.622 126.455 122.820 0.021 0.000 2.910 360 A HA 0.368 4.687 4.320 -0.001 0.000 0.316 360 A C 1.075 178.734 177.584 0.125 0.000 1.493 360 A CA -0.315 51.771 52.037 0.082 0.000 1.150 360 A CB -0.736 18.291 19.000 0.045 0.000 1.159 360 A HN 0.982 nan 8.150 nan 0.000 0.526 361 N N 2.481 121.260 118.700 0.132 0.000 2.069 361 N HA -0.201 4.539 4.740 -0.001 0.000 0.191 361 N C 1.400 176.933 175.510 0.039 0.000 1.031 361 N CA 2.052 55.150 53.050 0.080 0.000 0.852 361 N CB -0.507 38.019 38.487 0.065 0.000 1.018 361 N HN 0.460 nan 8.380 nan 0.000 0.423 362 A N -0.067 122.744 122.820 -0.016 0.000 2.121 362 A HA 0.047 4.367 4.320 -0.001 0.000 0.218 362 A C 1.979 179.533 177.584 -0.051 0.000 1.154 362 A CA 0.671 52.606 52.037 -0.169 0.000 0.679 362 A CB -0.366 18.244 19.000 -0.650 0.000 0.795 362 A HN 0.355 nan 8.150 nan 0.000 0.458 363 R N -0.693 119.852 120.500 0.075 0.000 2.393 363 R HA 0.087 4.426 4.340 -0.001 0.000 0.244 363 R C -0.297 176.047 176.300 0.074 0.000 0.920 363 R CA 0.048 56.207 56.100 0.097 0.000 1.076 363 R CB 0.181 30.583 30.300 0.171 0.000 1.119 363 R HN 0.446 nan 8.270 nan 0.000 0.524 364 N N 1.535 120.277 118.700 0.070 0.000 2.725 364 N HA -0.164 4.576 4.740 -0.001 0.000 0.249 364 N C -0.947 174.610 175.510 0.079 0.000 1.103 364 N CA 1.325 54.425 53.050 0.085 0.000 0.707 364 N CB -0.640 37.892 38.487 0.074 0.000 1.043 364 N HN 0.180 nan 8.380 nan 0.000 0.553 365 K N 0.414 120.850 120.400 0.059 0.000 2.208 365 K HA 0.546 4.865 4.320 -0.001 0.000 0.247 365 K C 0.526 177.126 176.600 0.001 0.000 0.953 365 K CA -0.608 55.696 56.287 0.029 0.000 0.837 365 K CB 1.800 34.306 32.500 0.010 0.000 1.131 365 K HN 0.049 nan 8.250 nan 0.000 0.431 366 L N 1.811 123.020 121.223 -0.024 0.000 2.295 366 L HA 0.413 4.753 4.340 -0.001 0.000 0.285 366 L C -0.316 176.451 176.870 -0.173 0.000 1.035 366 L CA -1.186 53.597 54.840 -0.095 0.000 0.806 366 L CB 1.645 43.662 42.059 -0.070 0.000 1.214 366 L HN 0.116 nan 8.230 nan 0.000 0.426 367 V N 4.205 123.964 119.914 -0.258 0.000 2.427 367 V HA 0.387 4.506 4.120 -0.001 0.000 0.286 367 V C 0.010 175.847 176.094 -0.430 0.000 1.034 367 V CA -0.627 61.491 62.300 -0.303 0.000 0.893 367 V CB 2.024 33.679 31.823 -0.279 0.000 0.982 367 V HN 0.413 nan 8.190 nan 0.000 0.452 368 V N 5.930 125.574 119.914 -0.451 0.000 2.384 368 V HA 0.511 4.631 4.120 -0.001 0.000 0.287 368 V C -0.332 175.491 176.094 -0.451 0.000 1.020 368 V CA -0.529 61.413 62.300 -0.596 0.000 0.850 368 V CB 1.628 32.846 31.823 -1.009 0.000 0.987 368 V HN 0.564 nan 8.190 nan 0.000 0.436 369 I N 3.255 123.648 120.570 -0.295 0.000 2.441 369 I HA 0.407 4.576 4.170 -0.001 0.000 0.295 369 I C -0.132 175.946 176.117 -0.066 0.000 0.994 369 I CA -0.602 60.614 61.300 -0.140 0.000 1.144 369 I CB 1.833 39.832 38.000 -0.002 0.000 1.314 369 I HN 0.593 nan 8.210 nan 0.000 0.445 370 D N 3.963 124.325 120.400 -0.063 0.000 2.365 370 D HA 0.085 4.725 4.640 -0.001 0.000 0.237 370 D C 1.264 177.435 176.300 -0.216 0.000 1.190 370 D CA -0.100 53.825 54.000 -0.125 0.000 0.867 370 D CB 1.148 41.929 40.800 -0.032 0.000 1.050 370 D HN 0.695 nan 8.370 nan 0.000 0.491 371 T N 1.135 115.508 114.554 -0.302 0.000 3.035 371 T HA -0.106 4.244 4.350 -0.001 0.000 0.268 371 T C 1.571 176.127 174.700 -0.240 0.000 1.109 371 T CA 0.780 62.744 62.100 -0.227 0.000 1.119 371 T CB 0.107 68.876 68.868 -0.165 0.000 0.900 371 T HN 0.374 nan 8.240 nan 0.000 0.503 372 K N 0.660 120.834 120.400 -0.378 0.000 2.044 372 K HA -0.014 4.305 4.320 -0.001 0.000 0.204 372 K C 1.948 178.469 176.600 -0.132 0.000 1.049 372 K CA 1.015 57.152 56.287 -0.251 0.000 0.945 372 K CB 0.141 32.418 32.500 -0.371 0.000 0.724 372 K HN 0.191 nan 8.250 nan 0.000 0.440 373 E N -0.425 119.691 120.200 -0.141 0.000 2.474 373 E HA 0.056 4.406 4.350 -0.001 0.000 0.194 373 E C 0.488 177.040 176.600 -0.080 0.000 1.041 373 E CA 0.666 57.017 56.400 -0.082 0.000 0.874 373 E CB 0.765 30.431 29.700 -0.056 0.000 0.914 373 E HN 0.558 nan 8.360 nan 0.000 0.498 374 G N 2.215 110.954 108.800 -0.100 0.000 2.314 374 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.292 374 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.292 374 G C -0.082 174.772 174.900 -0.075 0.000 1.059 374 G CA 0.817 45.862 45.100 -0.091 0.000 0.982 374 G HN 0.168 nan 8.290 nan 0.000 0.505 375 K N -1.245 119.110 120.400 -0.076 0.000 2.532 375 K HA 0.572 4.892 4.320 -0.001 0.000 0.265 375 K C -0.348 176.199 176.600 -0.089 0.000 0.948 375 K CA -1.258 54.987 56.287 -0.070 0.000 0.842 375 K CB 2.159 34.626 32.500 -0.054 0.000 1.392 375 K HN 0.192 nan 8.250 nan 0.000 0.436 376 L N 2.574 123.739 121.223 -0.098 0.000 2.455 376 L HA 0.046 4.386 4.340 -0.001 0.000 0.272 376 L C 0.539 177.319 176.870 -0.150 0.000 1.174 376 L CA 0.446 55.203 54.840 -0.138 0.000 0.869 376 L CB 1.077 43.057 42.059 -0.132 0.000 1.130 376 L HN 0.631 nan 8.230 nan 0.000 0.474 377 V N 1.711 121.481 119.914 -0.241 0.000 3.572 377 V HA 0.800 4.920 4.120 -0.001 0.000 0.260 377 V C 0.464 176.379 176.094 -0.299 0.000 1.324 377 V CA 0.475 62.615 62.300 -0.266 0.000 1.068 377 V CB -0.457 31.156 31.823 -0.351 0.000 0.837 377 V HN 1.035 nan 8.190 nan 0.000 0.450 378 A N 0.047 122.664 122.820 -0.338 0.000 2.599 378 A HA 0.809 5.128 4.320 -0.001 0.000 0.294 378 A C -1.509 175.950 177.584 -0.209 0.000 1.055 378 A CA -0.443 51.452 52.037 -0.236 0.000 0.683 378 A CB 1.209 20.069 19.000 -0.235 0.000 1.278 378 A HN 0.336 nan 8.150 nan 0.000 0.412 379 I N 1.646 122.141 120.570 -0.124 0.000 2.500 379 I HA 0.440 4.609 4.170 -0.001 0.000 0.286 379 I C -1.000 175.087 176.117 -0.050 0.000 1.063 379 I CA -0.427 60.810 61.300 -0.104 0.000 1.062 379 I CB 1.969 39.914 38.000 -0.092 0.000 1.223 379 I HN 0.539 nan 8.210 nan 0.000 0.435 380 E N 4.467 124.644 120.200 -0.038 0.000 2.272 380 E HA 0.280 4.629 4.350 -0.001 0.000 0.269 380 E C -1.320 175.286 176.600 0.010 0.000 0.877 380 E CA -0.655 55.742 56.400 -0.004 0.000 0.755 380 E CB 3.000 32.708 29.700 0.012 0.000 1.192 380 E HN 0.478 nan 8.360 nan 0.000 0.422 381 D N 1.241 121.652 120.400 0.020 0.000 2.350 381 D HA 0.031 4.671 4.640 -0.001 0.000 0.249 381 D C 0.964 177.291 176.300 0.046 0.000 1.119 381 D CA 0.127 54.148 54.000 0.035 0.000 0.886 381 D CB 1.229 42.046 40.800 0.028 0.000 1.195 381 D HN 0.432 nan 8.370 nan 0.000 0.437 382 T N 0.507 115.111 114.554 0.083 0.000 3.067 382 T HA 0.163 4.513 4.350 -0.001 0.000 0.261 382 T C 1.497 176.224 174.700 0.046 0.000 1.110 382 T CA 0.738 62.906 62.100 0.112 0.000 1.113 382 T CB 0.075 69.116 68.868 0.288 0.000 0.917 382 T HN 0.665 nan 8.240 nan 0.000 0.499 383 G N 0.385 109.193 108.800 0.013 0.000 2.179 383 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.260 383 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.260 383 G C 0.385 175.216 174.900 -0.115 0.000 0.977 383 G CA -0.039 45.039 45.100 -0.037 0.000 0.641 383 G HN 1.089 nan 8.290 nan 0.000 0.533 384 G N -1.319 107.367 108.800 -0.190 0.000 2.667 384 G HA2 0.613 4.573 3.960 -0.001 0.000 0.310 384 G HA3 0.613 4.573 3.960 -0.001 0.000 0.310 384 G C -0.625 174.178 174.900 -0.161 0.000 1.259 384 G CA -0.450 44.365 45.100 -0.474 0.000 1.019 384 G HN 0.202 nan 8.290 nan 0.000 0.496 385 Q N 0.810 120.539 119.800 -0.118 0.000 2.368 385 Q HA 0.396 4.735 4.340 -0.001 0.000 0.256 385 Q C -0.487 175.614 176.000 0.169 0.000 0.980 385 Q CA -0.179 55.646 55.803 0.037 0.000 0.887 385 Q CB 1.097 29.830 28.738 -0.008 0.000 1.221 385 Q HN 0.705 nan 8.270 nan 0.000 0.458 386 T N 2.467 117.119 114.554 0.165 0.000 3.389 386 T HA -0.086 4.264 4.350 -0.001 0.000 0.422 386 T C -2.452 172.333 174.700 0.142 0.000 0.767 386 T CA -0.289 61.884 62.100 0.121 0.000 2.199 386 T CB -1.095 67.804 68.868 0.052 0.000 1.700 386 T HN 0.448 nan 8.240 nan 0.000 0.698 387 P HA 0.099 nan 4.420 nan 0.000 0.265 387 P C -0.238 177.028 177.300 -0.057 0.000 1.193 387 P CA 0.315 63.266 63.100 -0.249 0.000 0.765 387 P CB 0.496 32.073 31.700 -0.205 0.000 0.823 388 H N 5.706 124.660 119.070 -0.193 0.000 2.651 388 H HA 0.214 4.770 4.556 -0.001 0.000 0.252 388 H C -2.123 173.129 175.328 -0.127 0.000 1.365 388 H CA -1.882 54.104 56.048 -0.103 0.000 1.539 388 H CB 1.484 31.167 29.762 -0.132 0.000 1.621 388 H HN 0.218 nan 8.280 nan 0.000 0.526 389 P HA 0.069 nan 4.420 nan 0.000 0.227 389 P C 1.073 178.368 177.300 -0.008 0.000 1.161 389 P CA 1.500 64.537 63.100 -0.105 0.000 0.788 389 P CB 1.167 32.893 31.700 0.043 0.000 0.822 390 G N 1.772 110.537 108.800 -0.059 0.000 2.565 390 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.295 390 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.295 390 G C 0.964 175.957 174.900 0.156 0.000 1.165 390 G CA 0.428 45.673 45.100 0.241 0.000 0.977 390 G HN 0.293 nan 8.290 nan 0.000 0.546 391 R N 1.694 122.244 120.500 0.083 0.000 2.334 391 R HA 0.448 4.788 4.340 -0.001 0.000 0.216 391 R C 1.455 177.827 176.300 0.121 0.000 0.905 391 R CA 1.119 57.170 56.100 -0.082 0.000 1.064 391 R CB 0.075 29.954 30.300 -0.703 0.000 1.046 391 R HN 2.010 nan 8.270 nan 0.000 0.508 392 G N 0.670 109.495 108.800 0.042 0.000 2.681 392 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.220 392 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.220 392 G C -0.970 173.843 174.900 -0.145 0.000 1.353 392 G CA -0.482 44.425 45.100 -0.323 0.000 0.872 392 G HN 0.389 nan 8.290 nan 0.000 0.557 393 A N 0.066 122.654 122.820 -0.387 0.000 2.385 393 A HA 0.724 5.043 4.320 -0.001 0.000 0.290 393 A C -0.326 177.351 177.584 0.154 0.000 1.094 393 A CA -0.485 51.596 52.037 0.074 0.000 0.729 393 A CB 1.034 20.139 19.000 0.174 0.000 1.194 393 A HN 0.797 nan 8.150 nan 0.000 0.442 394 N N 1.813 120.703 118.700 0.316 0.000 2.456 394 N HA 0.786 5.525 4.740 -0.001 0.000 0.288 394 N C -0.949 174.766 175.510 0.342 0.000 1.059 394 N CA 0.268 53.489 53.050 0.286 0.000 0.946 394 N CB 1.551 40.195 38.487 0.262 0.000 1.150 394 N HN 0.656 nan 8.380 nan 0.000 0.479 395 F N -2.183 117.840 119.950 0.123 0.000 2.713 395 F HA 0.454 4.980 4.527 -0.001 0.000 0.311 395 F C -1.183 174.669 175.800 0.088 0.000 1.141 395 F CA -1.242 56.811 58.000 0.088 0.000 0.939 395 F CB 0.588 39.646 39.000 0.096 0.000 1.325 395 F HN -0.015 nan 8.300 nan 0.000 0.453 396 V N 2.793 122.865 119.914 0.263 0.000 2.339 396 V HA 0.161 4.280 4.120 -0.001 0.000 0.261 396 V C 0.169 176.434 176.094 0.284 0.000 1.058 396 V CA -0.334 62.054 62.300 0.146 0.000 0.897 396 V CB -0.114 31.769 31.823 0.101 0.000 1.052 396 V HN 0.833 nan 8.190 nan 0.000 0.480 397 H N 8.393 127.530 119.070 0.111 0.000 2.848 397 H HA 0.128 4.683 4.556 -0.001 0.000 0.341 397 H C -1.717 173.674 175.328 0.104 0.000 1.060 397 H CA -1.547 54.646 56.048 0.241 0.000 1.444 397 H CB 1.959 31.851 29.762 0.217 0.000 1.446 397 H HN 0.331 nan 8.280 nan 0.000 0.583 398 P HA -0.155 nan 4.420 nan 0.000 0.216 398 P C 1.232 178.572 177.300 0.066 0.000 1.150 398 P CA 2.461 65.551 63.100 -0.017 0.000 0.843 398 P CB 0.236 31.859 31.700 -0.128 0.000 0.787 399 T N -6.365 108.291 114.554 0.169 0.000 2.999 399 T HA 0.130 4.480 4.350 -0.001 0.000 0.247 399 T C 1.391 176.100 174.700 0.014 0.000 1.012 399 T CA 0.045 62.155 62.100 0.018 0.000 1.048 399 T CB -0.803 67.961 68.868 -0.175 0.000 1.020 399 T HN -0.163 nan 8.240 nan 0.000 0.478 400 F N 2.715 122.754 119.950 0.148 0.000 2.512 400 F HA 0.514 5.041 4.527 -0.001 0.000 0.296 400 F C 1.966 177.574 175.800 -0.319 0.000 1.110 400 F CA 0.134 58.038 58.000 -0.161 0.000 1.446 400 F CB -0.616 38.113 39.000 -0.452 0.000 1.092 400 F HN 0.621 nan 8.300 nan 0.000 0.554 401 G N -0.331 108.385 108.800 -0.140 0.000 2.548 401 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.208 401 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.208 401 G C -2.859 171.868 174.900 -0.289 0.000 1.308 401 G CA -1.311 43.458 45.100 -0.552 0.000 0.924 401 G HN -0.074 nan 8.290 nan 0.000 0.540 402 P HA 0.393 nan 4.420 nan 0.000 0.261 402 P C 0.244 177.404 177.300 -0.234 0.000 1.183 402 P CA 0.668 63.656 63.100 -0.187 0.000 0.761 402 P CB 0.873 32.499 31.700 -0.123 0.000 0.785 403 V N 1.216 120.966 119.914 -0.273 0.000 3.130 403 V HA 0.737 4.857 4.120 -0.001 0.000 0.310 403 V C -1.693 174.323 176.094 -0.130 0.000 1.158 403 V CA -1.271 60.866 62.300 -0.270 0.000 1.029 403 V CB 2.467 34.055 31.823 -0.391 0.000 1.057 403 V HN 0.569 nan 8.190 nan 0.000 0.436 404 W N 2.120 123.313 121.300 -0.179 0.000 2.656 404 W HA 0.858 5.518 4.660 -0.001 0.000 0.327 404 W C -0.381 176.137 176.519 -0.002 0.000 1.041 404 W CA -0.241 57.087 57.345 -0.028 0.000 1.229 404 W CB 1.829 31.333 29.460 0.072 0.000 1.397 404 W HN 1.037 nan 8.180 nan 0.000 0.479 405 A N 3.640 126.273 122.820 -0.310 0.000 2.340 405 A HA 0.784 5.103 4.320 -0.001 0.000 0.331 405 A C -0.918 176.225 177.584 -0.737 0.000 1.140 405 A CA -0.518 51.337 52.037 -0.304 0.000 0.801 405 A CB 1.867 20.891 19.000 0.040 0.000 1.234 405 A HN 0.509 nan 8.150 nan 0.000 0.469 406 T N 0.160 114.448 114.554 -0.444 0.000 2.909 406 T HA 0.646 4.996 4.350 -0.001 0.000 0.299 406 T C 0.092 174.646 174.700 -0.244 0.000 1.073 406 T CA 0.160 62.014 62.100 -0.410 0.000 0.999 406 T CB 1.067 69.739 68.868 -0.327 0.000 1.098 406 T HN 1.391 nan 8.240 nan 0.000 0.477 407 S N 2.670 118.257 115.700 -0.189 0.000 2.758 407 S HA 0.755 5.225 4.470 -0.001 0.000 0.292 407 S C -0.875 173.592 174.600 -0.222 0.000 1.131 407 S CA -0.567 57.584 58.200 -0.083 0.000 0.997 407 S CB 0.743 63.951 63.200 0.014 0.000 1.111 407 S HN 0.825 nan 8.310 nan 0.000 0.552 408 H N -0.845 118.217 119.070 -0.013 0.000 2.690 408 H HA 0.485 5.040 4.556 -0.001 0.000 0.368 408 H C 0.449 175.768 175.328 -0.015 0.000 1.150 408 H CA -0.745 55.304 56.048 0.001 0.000 1.174 408 H CB 1.464 31.219 29.762 -0.013 0.000 1.684 408 H HN 0.508 nan 8.280 nan 0.000 0.538 409 M N 0.794 120.444 119.600 0.084 0.000 2.236 409 M HA 0.049 4.529 4.480 -0.001 0.000 0.266 409 M C 1.911 178.224 176.300 0.022 0.000 1.070 409 M CA 1.551 56.853 55.300 0.003 0.000 1.137 409 M CB 0.183 32.752 32.600 -0.051 0.000 1.378 409 M HN 0.851 nan 8.290 nan 0.000 0.426 410 G N 0.339 109.172 108.800 0.055 0.000 2.880 410 G HA2 0.020 3.980 3.960 -0.001 0.000 0.209 410 G HA3 0.020 3.980 3.960 -0.001 0.000 0.209 410 G C -0.208 174.696 174.900 0.007 0.000 1.157 410 G CA 0.287 45.400 45.100 0.022 0.000 0.779 410 G HN 0.548 nan 8.290 nan 0.000 0.539 411 D N -1.885 118.526 120.400 0.017 0.000 2.692 411 D HA 0.190 4.830 4.640 -0.001 0.000 0.303 411 D C -0.317 175.986 176.300 0.006 0.000 1.278 411 D CA -0.481 53.509 54.000 -0.016 0.000 0.852 411 D CB 0.154 40.911 40.800 -0.071 0.000 1.375 411 D HN -0.058 nan 8.370 nan 0.000 0.453 412 D N -0.959 119.440 120.400 -0.002 0.000 2.319 412 D HA 0.100 4.739 4.640 -0.001 0.000 0.230 412 D C -0.008 176.307 176.300 0.025 0.000 1.094 412 D CA -0.195 53.819 54.000 0.023 0.000 0.856 412 D CB -0.481 40.343 40.800 0.040 0.000 0.915 412 D HN 0.397 nan 8.370 nan 0.000 0.517 413 S N -0.678 115.004 115.700 -0.030 0.000 2.610 413 S HA 0.531 5.001 4.470 -0.001 0.000 0.273 413 S C -0.083 174.532 174.600 0.024 0.000 1.274 413 S CA -0.823 57.332 58.200 -0.075 0.000 1.023 413 S CB 1.851 64.906 63.200 -0.241 0.000 0.962 413 S HN -0.021 nan 8.310 nan 0.000 0.523 414 V N 1.841 121.625 119.914 -0.216 0.000 2.448 414 V HA 0.767 4.887 4.120 -0.001 0.000 0.295 414 V C 0.247 176.059 176.094 -0.470 0.000 1.025 414 V CA -0.537 61.551 62.300 -0.353 0.000 0.859 414 V CB 1.039 32.442 31.823 -0.699 0.000 0.988 414 V HN 1.213 nan 8.190 nan 0.000 0.431 415 A N 5.953 128.669 122.820 -0.173 0.000 2.350 415 A HA 0.934 5.254 4.320 -0.001 0.000 0.324 415 A C -0.958 176.577 177.584 -0.081 0.000 1.118 415 A CA -0.601 51.371 52.037 -0.107 0.000 0.783 415 A CB 1.081 20.134 19.000 0.088 0.000 1.236 415 A HN 0.788 nan 8.150 nan 0.000 0.457 416 L N 2.644 123.829 121.223 -0.064 0.000 2.322 416 L HA 0.599 4.939 4.340 -0.001 0.000 0.281 416 L C -0.542 176.296 176.870 -0.054 0.000 1.014 416 L CA -0.378 54.445 54.840 -0.029 0.000 0.815 416 L CB 1.664 43.715 42.059 -0.015 0.000 1.247 416 L HN 0.715 nan 8.230 nan 0.000 0.421 417 I N 1.301 121.888 120.570 0.028 0.000 2.433 417 I HA 0.531 4.700 4.170 -0.001 0.000 0.292 417 I C 0.535 176.594 176.117 -0.097 0.000 1.001 417 I CA -0.381 60.919 61.300 -0.001 0.000 1.119 417 I CB 1.833 39.917 38.000 0.141 0.000 1.289 417 I HN 0.662 nan 8.210 nan 0.000 0.438 418 G N 3.250 111.906 108.800 -0.241 0.000 2.398 418 G HA2 0.291 4.250 3.960 -0.001 0.000 0.246 418 G HA3 0.291 4.250 3.960 -0.001 0.000 0.246 418 G C 0.478 175.023 174.900 -0.590 0.000 1.289 418 G CA 0.165 45.041 45.100 -0.372 0.000 0.869 418 G HN 0.741 nan 8.290 nan 0.000 0.543 419 T N -1.245 112.975 114.554 -0.557 0.000 3.296 419 T HA 0.231 4.581 4.350 -0.001 0.000 0.285 419 T C -0.131 174.179 174.700 -0.651 0.000 1.014 419 T CA -0.392 61.261 62.100 -0.746 0.000 0.920 419 T CB 0.572 69.352 68.868 -0.145 0.000 1.143 419 T HN 0.356 nan 8.240 nan 0.000 0.522 420 D N 2.160 122.199 120.400 -0.602 0.000 2.412 420 D HA 0.338 4.977 4.640 -0.001 0.000 0.276 420 D C -1.694 174.431 176.300 -0.292 0.000 1.196 420 D CA -2.374 51.454 54.000 -0.287 0.000 0.905 420 D CB 1.866 42.622 40.800 -0.073 0.000 1.081 420 D HN 0.013 nan 8.370 nan 0.000 0.502 421 P HA -0.103 nan 4.420 nan 0.000 0.218 421 P C 0.968 178.225 177.300 -0.072 0.000 1.149 421 P CA 0.946 63.911 63.100 -0.224 0.000 0.817 421 P CB 0.746 32.385 31.700 -0.100 0.000 0.785 422 E N -0.481 119.711 120.200 -0.013 0.000 2.076 422 E HA -0.010 4.339 4.350 -0.001 0.000 0.190 422 E C 2.280 178.870 176.600 -0.017 0.000 0.979 422 E CA 1.213 57.618 56.400 0.009 0.000 0.807 422 E CB -0.533 29.193 29.700 0.044 0.000 0.761 422 E HN 0.275 nan 8.360 nan 0.000 0.454 423 G N -0.351 108.446 108.800 -0.004 0.000 2.656 423 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.211 423 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.211 423 G C 0.213 174.997 174.900 -0.193 0.000 1.137 423 G CA 0.022 45.093 45.100 -0.048 0.000 0.802 423 G HN 0.152 nan 8.290 nan 0.000 0.527 424 H N -0.061 118.957 119.070 -0.088 0.000 2.380 424 H HA 0.316 4.872 4.556 -0.001 0.000 0.231 424 H C -1.847 173.399 175.328 -0.136 0.000 1.415 424 H CA -1.425 54.569 56.048 -0.091 0.000 1.433 424 H CB 1.798 31.507 29.762 -0.089 0.000 1.544 424 H HN 0.062 nan 8.280 nan 0.000 0.503 425 P HA -0.167 nan 4.420 nan 0.000 0.215 425 P C 1.176 178.430 177.300 -0.077 0.000 1.157 425 P CA 1.198 64.255 63.100 -0.072 0.000 0.868 425 P CB 0.549 32.220 31.700 -0.049 0.000 0.788 426 D N -1.246 119.128 120.400 -0.044 0.000 2.178 426 D HA -0.107 4.533 4.640 -0.001 0.000 0.201 426 D C 1.407 177.665 176.300 -0.070 0.000 0.980 426 D CA 0.939 54.915 54.000 -0.040 0.000 0.842 426 D CB -0.619 40.173 40.800 -0.013 0.000 0.948 426 D HN 0.119 nan 8.370 nan 0.000 0.472 427 N N 0.335 118.986 118.700 -0.081 0.000 2.463 427 N HA 0.045 4.784 4.740 -0.001 0.000 0.181 427 N C 0.240 175.586 175.510 -0.274 0.000 1.078 427 N CA 0.071 53.031 53.050 -0.150 0.000 0.902 427 N CB 0.013 38.436 38.487 -0.106 0.000 0.970 427 N HN 0.017 nan 8.380 nan 0.000 0.451 428 A N 0.158 122.766 122.820 -0.353 0.000 2.492 428 A HA 0.172 4.492 4.320 -0.001 0.000 0.254 428 A C -0.122 177.105 177.584 -0.596 0.000 1.091 428 A CA -0.221 51.378 52.037 -0.730 0.000 0.768 428 A CB -0.687 17.794 19.000 -0.865 0.000 1.028 428 A HN 0.511 nan 8.150 nan 0.000 0.498 429 W N 0.550 121.748 121.300 -0.170 0.000 4.141 429 W HA -0.186 4.473 4.660 -0.001 0.000 0.336 429 W C 0.196 176.638 176.519 -0.129 0.000 1.258 429 W CA 0.599 57.845 57.345 -0.165 0.000 0.747 429 W CB -1.258 28.095 29.460 -0.177 0.000 2.338 429 W HN 0.542 nan 8.180 nan 0.000 1.410 430 K N 0.735 121.112 120.400 -0.037 0.000 2.259 430 K HA 0.421 4.741 4.320 -0.001 0.000 0.252 430 K C 0.203 176.742 176.600 -0.101 0.000 0.936 430 K CA -1.110 55.142 56.287 -0.058 0.000 0.810 430 K CB 1.476 33.918 32.500 -0.097 0.000 1.143 430 K HN -0.189 nan 8.250 nan 0.000 0.427 431 I N 4.750 125.275 120.570 -0.074 0.000 2.494 431 I HA -0.022 4.147 4.170 -0.001 0.000 0.289 431 I C 1.489 177.492 176.117 -0.191 0.000 1.106 431 I CA 0.295 61.537 61.300 -0.097 0.000 1.369 431 I CB -0.368 37.607 38.000 -0.042 0.000 1.410 431 I HN 0.482 nan 8.210 nan 0.000 0.523 432 L N 3.959 124.978 121.223 -0.340 0.000 2.416 432 L HA 0.188 4.527 4.340 -0.001 0.000 0.216 432 L C 0.329 176.916 176.870 -0.472 0.000 1.098 432 L CA 0.620 55.073 54.840 -0.646 0.000 0.840 432 L CB -0.021 41.235 42.059 -1.339 0.000 0.981 432 L HN 0.582 nan 8.230 nan 0.000 0.462 433 D N -1.596 118.680 120.400 -0.207 0.000 2.685 433 D HA 0.331 4.971 4.640 -0.001 0.000 0.236 433 D C -1.559 174.758 176.300 0.029 0.000 1.233 433 D CA -0.166 53.867 54.000 0.056 0.000 0.760 433 D CB 2.108 43.096 40.800 0.313 0.000 1.410 433 D HN -0.230 nan 8.370 nan 0.000 0.439 434 S N 1.339 117.087 115.700 0.080 0.000 2.572 434 S HA 0.824 5.293 4.470 -0.001 0.000 0.274 434 S C -1.721 172.920 174.600 0.069 0.000 1.150 434 S CA -0.658 57.489 58.200 -0.088 0.000 0.944 434 S CB 0.158 63.326 63.200 -0.052 0.000 1.071 434 S HN 0.381 nan 8.310 nan 0.000 0.479 435 F N 1.786 121.757 119.950 0.035 0.000 2.668 435 F HA 0.812 5.338 4.527 -0.001 0.000 0.309 435 F C -3.093 172.764 175.800 0.095 0.000 1.117 435 F CA -2.190 55.852 58.000 0.071 0.000 0.951 435 F CB 0.680 39.728 39.000 0.080 0.000 1.323 435 F HN 0.284 nan 8.300 nan 0.000 0.451 436 P HA 0.506 nan 4.420 nan 0.000 0.282 436 P C -0.881 176.699 177.300 0.466 0.000 1.249 436 P CA 0.052 63.343 63.100 0.319 0.000 0.806 436 P CB 1.821 33.689 31.700 0.280 0.000 0.984 437 A N 2.568 125.511 122.820 0.204 0.000 3.944 437 A HA 0.423 4.743 4.320 -0.001 0.000 0.151 437 A C 1.614 178.990 177.584 -0.347 0.000 1.301 437 A CA -0.414 51.531 52.037 -0.154 0.000 1.020 437 A CB -0.647 18.360 19.000 0.013 0.000 1.627 437 A HN 0.444 nan 8.150 nan 0.000 0.661 438 L N -0.616 120.384 121.223 -0.372 0.000 2.056 438 L HA 0.249 4.588 4.340 -0.001 0.000 0.207 438 L C 1.274 178.134 176.870 -0.016 0.000 1.078 438 L CA 1.284 56.028 54.840 -0.161 0.000 0.749 438 L CB -0.274 41.696 42.059 -0.147 0.000 0.901 438 L HN 0.922 nan 8.230 nan 0.000 0.433 439 G N -2.226 106.563 108.800 -0.017 0.000 2.315 439 G HA2 0.347 4.307 3.960 -0.001 0.000 0.294 439 G HA3 0.347 4.307 3.960 -0.001 0.000 0.294 439 G C -0.785 174.117 174.900 0.003 0.000 1.300 439 G CA -0.415 44.689 45.100 0.006 0.000 0.843 439 G HN 0.143 nan 8.290 nan 0.000 0.527 440 G N -1.737 107.065 108.800 0.003 0.000 2.667 440 G HA2 0.560 4.519 3.960 -0.001 0.000 0.250 440 G HA3 0.560 4.519 3.960 -0.001 0.000 0.250 440 G C 1.292 176.188 174.900 -0.007 0.000 1.212 440 G CA 1.204 46.306 45.100 0.003 0.000 0.874 440 G HN 2.376 nan 8.290 nan 0.000 0.561 441 G N -1.569 107.224 108.800 -0.012 0.000 2.132 441 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.234 441 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.234 441 G C 0.570 175.447 174.900 -0.037 0.000 0.989 441 G CA 0.692 45.774 45.100 -0.030 0.000 0.676 441 G HN 1.342 nan 8.290 nan 0.000 0.522 442 S N -0.878 114.807 115.700 -0.025 0.000 2.565 442 S HA 0.658 5.127 4.470 -0.001 0.000 0.276 442 S C 1.552 176.079 174.600 -0.122 0.000 1.326 442 S CA -0.008 58.177 58.200 -0.025 0.000 1.045 442 S CB 0.855 64.065 63.200 0.017 0.000 0.918 442 S HN 0.414 nan 8.310 nan 0.000 0.505 443 L N 2.539 123.662 121.223 -0.167 0.000 2.624 443 L HA 0.454 4.794 4.340 -0.001 0.000 0.222 443 L C -0.801 175.712 176.870 -0.595 0.000 1.046 443 L CA 0.150 54.678 54.840 -0.521 0.000 0.872 443 L CB 0.256 41.916 42.059 -0.664 0.000 1.190 443 L HN 0.517 nan 8.230 nan 0.000 0.487 444 F N -0.070 119.995 119.950 0.191 0.000 2.569 444 F HA 0.508 5.035 4.527 -0.001 0.000 0.312 444 F C -0.459 175.442 175.800 0.168 0.000 1.109 444 F CA -0.686 57.423 58.000 0.182 0.000 0.919 444 F CB 2.247 41.347 39.000 0.166 0.000 1.211 444 F HN -0.286 nan 8.300 nan 0.000 0.446 445 I N 2.958 123.709 120.570 0.302 0.000 2.530 445 I HA 0.677 4.847 4.170 -0.001 0.000 0.297 445 I C -1.295 174.997 176.117 0.292 0.000 1.011 445 I CA -0.659 60.794 61.300 0.255 0.000 1.107 445 I CB 1.645 39.714 38.000 0.113 0.000 1.285 445 I HN 0.600 nan 8.210 nan 0.000 0.436 446 K N 3.732 124.365 120.400 0.388 0.000 2.542 446 K HA 0.640 4.960 4.320 -0.001 0.000 0.259 446 K C -1.173 175.786 176.600 0.598 0.000 0.932 446 K CA -0.420 56.134 56.287 0.445 0.000 0.820 446 K CB 2.160 34.898 32.500 0.397 0.000 1.345 446 K HN 0.655 nan 8.250 nan 0.000 0.432 447 T N 0.649 115.512 114.554 0.515 0.000 2.681 447 T HA 0.492 4.841 4.350 -0.001 0.000 0.296 447 T C -2.138 172.548 174.700 -0.023 0.000 1.157 447 T CA -0.454 61.882 62.100 0.394 0.000 1.025 447 T CB 0.771 69.805 68.868 0.276 0.000 1.441 447 T HN 0.578 nan 8.240 nan 0.000 0.504 448 H N 0.111 118.931 119.070 -0.416 0.000 3.046 448 H HA 0.351 4.907 4.556 -0.001 0.000 0.363 448 H C -2.411 172.788 175.328 -0.215 0.000 1.203 448 H CA -1.502 54.239 56.048 -0.512 0.000 1.169 448 H CB 2.454 31.467 29.762 -1.248 0.000 1.851 448 H HN 0.322 nan 8.280 nan 0.000 0.546 449 P HA -0.089 nan 4.420 nan 0.000 0.219 449 P C 0.653 177.975 177.300 0.036 0.000 1.146 449 P CA 1.081 64.088 63.100 -0.156 0.000 0.808 449 P CB 0.419 31.985 31.700 -0.223 0.000 0.779 450 N N -1.477 117.384 118.700 0.269 0.000 2.398 450 N HA 0.021 4.761 4.740 -0.001 0.000 0.188 450 N C 0.463 176.058 175.510 0.143 0.000 1.122 450 N CA 0.424 53.598 53.050 0.207 0.000 0.866 450 N CB -0.052 38.570 38.487 0.225 0.000 0.970 450 N HN 0.074 nan 8.380 nan 0.000 0.462 451 S N 0.285 116.062 115.700 0.128 0.000 2.593 451 S HA 0.204 4.673 4.470 -0.001 0.000 0.297 451 S C 0.746 175.348 174.600 0.005 0.000 1.112 451 S CA -0.659 57.621 58.200 0.134 0.000 1.043 451 S CB 1.318 64.693 63.200 0.292 0.000 1.054 451 S HN 0.295 nan 8.310 nan 0.000 0.516 452 Q N 1.934 121.625 119.800 -0.182 0.000 2.220 452 Q HA 0.227 4.567 4.340 -0.001 0.000 0.205 452 Q C -1.145 174.593 176.000 -0.436 0.000 0.865 452 Q CA -0.123 55.470 55.803 -0.350 0.000 0.960 452 Q CB -0.006 28.451 28.738 -0.468 0.000 1.097 452 Q HN 0.631 nan 8.270 nan 0.000 0.493 453 Y N 0.563 120.910 120.300 0.078 0.000 2.468 453 Y HA 0.528 5.077 4.550 -0.001 0.000 0.342 453 Y C -0.812 175.114 175.900 0.044 0.000 1.021 453 Y CA -1.781 56.313 58.100 -0.009 0.000 1.079 453 Y CB 1.794 40.175 38.460 -0.131 0.000 1.226 453 Y HN 0.067 nan 8.280 nan 0.000 0.460 454 L N 3.839 125.152 121.223 0.150 0.000 2.316 454 L HA 0.529 4.868 4.340 -0.001 0.000 0.280 454 L C -1.888 175.151 176.870 0.282 0.000 1.006 454 L CA -0.799 54.181 54.840 0.235 0.000 0.836 454 L CB 0.148 42.280 42.059 0.122 0.000 1.221 454 L HN 0.455 nan 8.230 nan 0.000 0.418 455 Y N 4.119 124.651 120.300 0.387 0.000 2.330 455 Y HA 0.660 5.210 4.550 -0.001 0.000 0.336 455 Y C -0.137 175.958 175.900 0.326 0.000 1.036 455 Y CA -0.739 57.578 58.100 0.361 0.000 1.125 455 Y CB 1.776 40.521 38.460 0.474 0.000 1.194 455 Y HN 0.264 nan 8.280 nan 0.000 0.469 456 V N 3.705 123.839 119.914 0.367 0.000 2.525 456 V HA 0.261 4.381 4.120 -0.001 0.000 0.299 456 V C -0.669 175.522 176.094 0.163 0.000 1.034 456 V CA -1.101 61.359 62.300 0.266 0.000 0.863 456 V CB 1.448 33.411 31.823 0.234 0.000 0.999 456 V HN 0.809 nan 8.190 nan 0.000 0.423 457 D N 3.878 124.397 120.400 0.199 0.000 2.411 457 D HA 0.669 5.308 4.640 -0.001 0.000 0.251 457 D C 0.248 176.587 176.300 0.066 0.000 1.201 457 D CA -0.442 53.636 54.000 0.130 0.000 0.996 457 D CB 1.724 42.661 40.800 0.229 0.000 1.101 457 D HN 0.712 nan 8.370 nan 0.000 0.504 458 A N -0.245 122.596 122.820 0.036 0.000 3.106 458 A HA 0.306 4.626 4.320 -0.001 0.000 0.227 458 A C 1.025 178.618 177.584 0.015 0.000 0.920 458 A CA -0.472 51.570 52.037 0.008 0.000 1.088 458 A CB -0.556 18.430 19.000 -0.024 0.000 1.233 458 A HN 0.470 nan 8.150 nan 0.000 0.503 459 T N 0.704 115.291 114.554 0.054 0.000 2.665 459 T HA -0.169 4.181 4.350 -0.001 0.000 0.268 459 T C 1.429 176.148 174.700 0.033 0.000 1.035 459 T CA 1.844 63.995 62.100 0.084 0.000 1.151 459 T CB -0.286 68.690 68.868 0.180 0.000 0.862 459 T HN 0.483 nan 8.240 nan 0.000 0.438 460 L N 0.766 121.992 121.223 0.006 0.000 2.611 460 L HA 0.216 4.555 4.340 -0.001 0.000 0.229 460 L C 1.055 177.905 176.870 -0.033 0.000 1.137 460 L CA -0.357 54.471 54.840 -0.021 0.000 0.901 460 L CB -0.452 41.590 42.059 -0.028 0.000 1.098 460 L HN 0.229 nan 8.230 nan 0.000 0.456 461 N N 2.149 120.832 118.700 -0.028 0.000 2.454 461 N HA 0.021 4.760 4.740 -0.001 0.000 0.254 461 N C -1.506 173.980 175.510 -0.040 0.000 1.228 461 N CA -0.868 52.163 53.050 -0.031 0.000 0.900 461 N CB 1.570 40.041 38.487 -0.027 0.000 1.089 461 N HN -0.064 nan 8.380 nan 0.000 0.449 462 P HA -0.047 nan 4.420 nan 0.000 0.225 462 P C -0.080 177.193 177.300 -0.044 0.000 1.156 462 P CA 0.865 63.938 63.100 -0.045 0.000 0.787 462 P CB 0.300 31.976 31.700 -0.041 0.000 0.802 463 E N -0.111 120.066 120.200 -0.039 0.000 2.194 463 E HA 0.384 4.734 4.350 -0.001 0.000 0.284 463 E C 1.137 177.710 176.600 -0.045 0.000 1.035 463 E CA -0.382 55.995 56.400 -0.039 0.000 0.836 463 E CB 1.001 30.682 29.700 -0.031 0.000 1.070 463 E HN -0.090 nan 8.360 nan 0.000 0.401 464 A N 5.029 127.820 122.820 -0.049 0.000 1.908 464 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 464 A C 1.752 179.300 177.584 -0.059 0.000 1.181 464 A CA 1.663 53.667 52.037 -0.055 0.000 0.627 464 A CB -0.421 18.547 19.000 -0.053 0.000 0.818 464 A HN 0.874 nan 8.150 nan 0.000 0.445 465 E N -0.655 119.511 120.200 -0.056 0.000 2.153 465 E HA -0.149 4.200 4.350 -0.001 0.000 0.194 465 E C 1.814 178.371 176.600 -0.071 0.000 0.988 465 E CA 1.218 57.578 56.400 -0.065 0.000 0.811 465 E CB -0.217 29.449 29.700 -0.056 0.000 0.746 465 E HN 0.757 nan 8.360 nan 0.000 0.466 466 I N 0.550 121.087 120.570 -0.056 0.000 2.494 466 I HA -0.174 3.996 4.170 -0.001 0.000 0.250 466 I C 2.601 178.682 176.117 -0.059 0.000 1.112 466 I CA 0.745 62.013 61.300 -0.054 0.000 1.438 466 I CB -0.155 37.825 38.000 -0.034 0.000 1.111 466 I HN 0.052 nan 8.210 nan 0.000 0.431 467 S N 0.809 116.478 115.700 -0.052 0.000 2.423 467 S HA -0.061 4.408 4.470 -0.001 0.000 0.231 467 S C 1.827 176.398 174.600 -0.047 0.000 1.014 467 S CA 1.030 59.205 58.200 -0.042 0.000 0.965 467 S CB -0.723 62.450 63.200 -0.045 0.000 0.785 467 S HN 0.454 nan 8.310 nan 0.000 0.495 468 G N 0.139 108.896 108.800 -0.073 0.000 3.371 468 G HA2 0.526 4.485 3.960 -0.001 0.000 0.248 468 G HA3 0.526 4.485 3.960 -0.001 0.000 0.248 468 G C -0.099 174.709 174.900 -0.153 0.000 1.161 468 G CA -0.316 44.730 45.100 -0.091 0.000 0.796 468 G HN 0.459 nan 8.290 nan 0.000 0.539 469 S N -1.425 114.178 115.700 -0.162 0.000 2.667 469 S HA 0.740 5.209 4.470 -0.001 0.000 0.292 469 S C -1.016 173.442 174.600 -0.236 0.000 1.126 469 S CA -0.518 57.542 58.200 -0.233 0.000 0.881 469 S CB 2.641 65.720 63.200 -0.201 0.000 1.132 469 S HN -0.024 nan 8.310 nan 0.000 0.492 470 V N 1.090 120.825 119.914 -0.299 0.000 2.709 470 V HA 0.777 4.897 4.120 -0.001 0.000 0.308 470 V C -0.236 175.738 176.094 -0.200 0.000 1.062 470 V CA -0.829 61.314 62.300 -0.261 0.000 0.901 470 V CB 1.729 33.273 31.823 -0.466 0.000 1.003 470 V HN 1.040 nan 8.190 nan 0.000 0.425 471 A N 3.845 126.549 122.820 -0.193 0.000 2.309 471 A HA 0.809 5.129 4.320 -0.001 0.000 0.298 471 A C -0.650 176.791 177.584 -0.239 0.000 1.165 471 A CA -0.395 51.451 52.037 -0.319 0.000 0.821 471 A CB 0.961 19.504 19.000 -0.760 0.000 1.102 471 A HN 0.819 nan 8.150 nan 0.000 0.500 472 V N 2.753 122.484 119.914 -0.305 0.000 2.443 472 V HA 0.414 4.534 4.120 -0.001 0.000 0.293 472 V C -1.025 174.884 176.094 -0.308 0.000 1.021 472 V CA -0.269 61.831 62.300 -0.333 0.000 0.848 472 V CB 0.703 32.236 31.823 -0.483 0.000 0.998 472 V HN 0.714 nan 8.190 nan 0.000 0.424 473 F N 2.003 121.962 119.950 0.016 0.000 2.399 473 F HA 0.476 5.003 4.527 -0.001 0.000 0.334 473 F C 0.542 176.405 175.800 0.106 0.000 1.097 473 F CA -0.533 57.511 58.000 0.074 0.000 1.076 473 F CB 1.219 40.267 39.000 0.079 0.000 1.162 473 F HN 0.420 nan 8.300 nan 0.000 0.495 474 D N 3.274 123.842 120.400 0.279 0.000 2.411 474 D HA 0.226 4.866 4.640 -0.001 0.000 0.225 474 D C 1.100 177.407 176.300 0.011 0.000 1.156 474 D CA 0.080 54.198 54.000 0.197 0.000 0.874 474 D CB 0.561 41.471 40.800 0.184 0.000 1.034 474 D HN 0.497 nan 8.370 nan 0.000 0.502 475 I N 3.125 123.629 120.570 -0.110 0.000 2.264 475 I HA -0.282 3.888 4.170 -0.001 0.000 0.248 475 I C 2.230 178.251 176.117 -0.160 0.000 1.111 475 I CA 0.969 62.142 61.300 -0.211 0.000 1.382 475 I CB 0.004 37.789 38.000 -0.360 0.000 1.060 475 I HN 0.330 nan 8.210 nan 0.000 0.418 476 K N 0.718 121.035 120.400 -0.138 0.000 2.209 476 K HA -0.104 4.216 4.320 -0.001 0.000 0.204 476 K C 1.937 178.483 176.600 -0.090 0.000 1.048 476 K CA 1.355 57.578 56.287 -0.107 0.000 0.940 476 K CB -0.151 32.291 32.500 -0.097 0.000 0.729 476 K HN 0.344 nan 8.250 nan 0.000 0.451 477 A N 0.604 123.382 122.820 -0.071 0.000 2.251 477 A HA 0.121 4.441 4.320 -0.001 0.000 0.209 477 A C 0.722 178.261 177.584 -0.074 0.000 1.187 477 A CA -0.076 51.930 52.037 -0.051 0.000 0.823 477 A CB -0.153 18.839 19.000 -0.014 0.000 0.846 477 A HN 0.132 nan 8.150 nan 0.000 0.486 478 M N 0.903 120.425 119.600 -0.129 0.000 2.217 478 M HA 0.101 4.580 4.480 -0.001 0.000 0.352 478 M C 1.326 177.527 176.300 -0.165 0.000 1.376 478 M CA 0.602 55.805 55.300 -0.162 0.000 1.107 478 M CB 0.824 33.260 32.600 -0.274 0.000 1.723 478 M HN 0.401 nan 8.290 nan 0.000 0.461 479 T N -2.130 112.387 114.554 -0.061 0.000 2.985 479 T HA 0.239 4.588 4.350 -0.001 0.000 0.254 479 T C 1.236 175.905 174.700 -0.051 0.000 1.021 479 T CA 0.312 62.381 62.100 -0.052 0.000 0.957 479 T CB 0.121 68.969 68.868 -0.034 0.000 1.047 479 T HN 0.977 nan 8.240 nan 0.000 0.511 480 G N 3.631 112.446 108.800 0.025 0.000 2.356 480 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.296 480 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.296 480 G C 0.261 175.148 174.900 -0.022 0.000 1.022 480 G CA 0.520 45.572 45.100 -0.079 0.000 0.961 480 G HN 0.788 nan 8.290 nan 0.000 0.510 481 D N -1.322 119.099 120.400 0.035 0.000 2.328 481 D HA 0.359 4.999 4.640 -0.001 0.000 0.221 481 D C 1.796 178.145 176.300 0.081 0.000 1.072 481 D CA 0.465 54.490 54.000 0.042 0.000 0.850 481 D CB -0.327 40.486 40.800 0.021 0.000 0.922 481 D HN 1.456 nan 8.370 nan 0.000 0.516 482 G N 0.308 109.183 108.800 0.126 0.000 2.234 482 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.235 482 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.235 482 G C 0.496 175.466 174.900 0.118 0.000 0.997 482 G CA 0.319 45.500 45.100 0.134 0.000 0.623 482 G HN 0.840 nan 8.290 nan 0.000 0.514 483 S N 0.703 116.456 115.700 0.088 0.000 2.600 483 S HA 0.518 4.988 4.470 -0.001 0.000 0.265 483 S C -0.365 174.284 174.600 0.082 0.000 1.325 483 S CA -0.051 58.193 58.200 0.073 0.000 1.002 483 S CB 1.458 64.684 63.200 0.044 0.000 0.921 483 S HN 0.198 nan 8.310 nan 0.000 0.554 484 D N 2.805 123.259 120.400 0.089 0.000 2.295 484 D HA 0.397 5.037 4.640 -0.001 0.000 0.248 484 D C -2.246 174.071 176.300 0.028 0.000 1.154 484 D CA -1.189 52.873 54.000 0.103 0.000 0.857 484 D CB 0.668 41.583 40.800 0.192 0.000 1.117 484 D HN 0.406 nan 8.370 nan 0.000 0.468 485 P HA 0.071 nan 4.420 nan 0.000 0.268 485 P C 0.045 177.451 177.300 0.176 0.000 1.204 485 P CA -0.086 62.977 63.100 -0.060 0.000 0.768 485 P CB 0.875 32.395 31.700 -0.300 0.000 0.842 486 E N 1.658 121.906 120.200 0.081 0.000 2.392 486 E HA 0.350 4.699 4.350 -0.001 0.000 0.259 486 E C -0.306 176.273 176.600 -0.035 0.000 1.108 486 E CA -0.096 56.281 56.400 -0.038 0.000 0.916 486 E CB 0.254 29.885 29.700 -0.114 0.000 0.989 486 E HN 0.437 nan 8.360 nan 0.000 0.432 487 F N -1.310 118.474 119.950 -0.277 0.000 2.599 487 F HA 0.540 5.067 4.527 -0.001 0.000 0.311 487 F C -0.514 175.086 175.800 -0.335 0.000 1.076 487 F CA -1.439 56.228 58.000 -0.555 0.000 0.937 487 F CB 0.990 39.303 39.000 -1.144 0.000 1.282 487 F HN 0.106 nan 8.300 nan 0.000 0.460 488 K N 0.727 121.060 120.400 -0.112 0.000 2.118 488 K HA 0.548 4.867 4.320 -0.001 0.000 0.267 488 K C -0.991 175.601 176.600 -0.012 0.000 0.991 488 K CA -0.436 55.786 56.287 -0.108 0.000 0.916 488 K CB 1.340 33.757 32.500 -0.139 0.000 1.041 488 K HN 0.879 nan 8.250 nan 0.000 0.455 489 T N 4.716 119.247 114.554 -0.037 0.000 2.756 489 T HA 0.321 4.671 4.350 -0.001 0.000 0.290 489 T C -0.319 174.262 174.700 -0.199 0.000 0.985 489 T CA -0.621 61.444 62.100 -0.058 0.000 0.955 489 T CB 0.294 69.150 68.868 -0.021 0.000 0.930 489 T HN 0.385 nan 8.240 nan 0.000 0.451 490 L N 6.228 127.276 121.223 -0.293 0.000 2.264 490 L HA 0.368 4.708 4.340 -0.001 0.000 0.289 490 L C -1.853 174.589 176.870 -0.714 0.000 1.044 490 L CA -2.242 52.264 54.840 -0.557 0.000 0.807 490 L CB 1.041 42.813 42.059 -0.479 0.000 1.192 490 L HN 0.350 nan 8.230 nan 0.000 0.425 491 P HA 0.106 nan 4.420 nan 0.000 0.231 491 P C 0.919 177.701 177.300 -0.862 0.000 1.811 491 P CA -0.311 62.328 63.100 -0.768 0.000 1.051 491 P CB 0.309 31.625 31.700 -0.640 0.000 1.951 492 I N 1.527 121.727 120.570 -0.616 0.000 2.163 492 I HA -0.229 3.941 4.170 -0.001 0.000 0.243 492 I C 2.337 178.375 176.117 -0.131 0.000 1.085 492 I CA 1.578 62.677 61.300 -0.335 0.000 1.347 492 I CB -1.896 35.929 38.000 -0.293 0.000 1.044 492 I HN 0.157 nan 8.210 nan 0.000 0.408 493 A N 0.304 123.041 122.820 -0.138 0.000 1.933 493 A HA -0.237 4.083 4.320 -0.001 0.000 0.218 493 A C 2.387 179.947 177.584 -0.041 0.000 1.175 493 A CA 1.765 53.764 52.037 -0.062 0.000 0.628 493 A CB -0.682 18.279 19.000 -0.064 0.000 0.814 493 A HN 0.546 nan 8.150 nan 0.000 0.444 494 E N -1.191 118.956 120.200 -0.088 0.000 2.072 494 E HA -0.219 4.131 4.350 -0.001 0.000 0.191 494 E C 1.708 178.367 176.600 0.098 0.000 0.985 494 E CA 1.220 57.599 56.400 -0.034 0.000 0.801 494 E CB -0.239 29.407 29.700 -0.092 0.000 0.750 494 E HN 0.750 nan 8.360 nan 0.000 0.452 495 W N 0.542 121.797 121.300 -0.075 0.000 2.350 495 W HA -0.067 4.592 4.660 -0.001 0.000 0.289 495 W C 2.356 178.816 176.519 -0.099 0.000 1.215 495 W CA 1.175 58.468 57.345 -0.087 0.000 1.236 495 W CB -0.981 28.423 29.460 -0.094 0.000 1.130 495 W HN 0.211 nan 8.180 nan 0.000 0.541 496 A N -0.548 122.349 122.820 0.129 0.000 2.119 496 A HA 0.324 4.643 4.320 -0.001 0.000 0.216 496 A C 1.873 179.457 177.584 -0.000 0.000 1.152 496 A CA 1.480 53.532 52.037 0.025 0.000 0.708 496 A CB -0.830 18.175 19.000 0.008 0.000 0.805 496 A HN 0.611 nan 8.150 nan 0.000 0.460 497 G N -1.073 107.739 108.800 0.019 0.000 2.160 497 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.244 497 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.244 497 G C -0.049 174.847 174.900 -0.008 0.000 1.022 497 G CA 0.353 45.454 45.100 0.002 0.000 0.741 497 G HN 0.518 nan 8.290 nan 0.000 0.508 498 I N 1.116 121.682 120.570 -0.007 0.000 2.382 498 I HA 0.454 4.623 4.170 -0.001 0.000 0.286 498 I C 1.267 177.373 176.117 -0.019 0.000 1.002 498 I CA -0.049 61.243 61.300 -0.012 0.000 1.135 498 I CB 1.837 39.833 38.000 -0.007 0.000 1.288 498 I HN 0.211 nan 8.210 nan 0.000 0.448 499 T N 0.062 114.604 114.554 -0.020 0.000 2.964 499 T HA 0.100 4.450 4.350 -0.001 0.000 0.250 499 T C 0.579 175.263 174.700 -0.028 0.000 0.982 499 T CA -0.375 61.709 62.100 -0.027 0.000 0.959 499 T CB -0.106 68.747 68.868 -0.025 0.000 1.141 499 T HN 0.623 nan 8.240 nan 0.000 0.494 500 E N 2.364 122.550 120.200 -0.023 0.000 2.508 500 E HA 0.331 4.681 4.350 -0.001 0.000 0.266 500 E C 1.196 177.779 176.600 -0.029 0.000 1.010 500 E CA 0.144 56.530 56.400 -0.022 0.000 0.955 500 E CB -0.412 29.278 29.700 -0.015 0.000 0.946 500 E HN 0.568 nan 8.360 nan 0.000 0.454 501 G N 2.399 111.180 108.800 -0.032 0.000 2.596 501 G HA2 -0.394 3.566 3.960 -0.001 0.000 0.295 501 G HA3 -0.394 3.566 3.960 -0.001 0.000 0.295 501 G C -0.298 174.568 174.900 -0.057 0.000 1.240 501 G CA 0.632 45.706 45.100 -0.044 0.000 0.985 501 G HN 0.788 nan 8.290 nan 0.000 0.555 502 Q N 1.061 120.814 119.800 -0.078 0.000 3.021 502 Q HA 0.413 4.753 4.340 -0.001 0.000 0.234 502 Q C -2.682 173.250 176.000 -0.113 0.000 0.930 502 Q CA -1.644 54.104 55.803 -0.090 0.000 0.714 502 Q CB 2.036 30.714 28.738 -0.099 0.000 1.325 502 Q HN 0.539 nan 8.270 nan 0.000 0.473 503 P HA 0.145 nan 4.420 nan 0.000 0.276 503 P C -0.950 176.318 177.300 -0.054 0.000 1.243 503 P CA -0.027 63.038 63.100 -0.058 0.000 0.768 503 P CB 0.690 32.378 31.700 -0.020 0.000 0.856 504 R N 1.781 122.252 120.500 -0.048 0.000 2.338 504 R HA 0.459 4.799 4.340 -0.001 0.000 0.317 504 R C -0.151 176.234 176.300 0.142 0.000 0.968 504 R CA -1.106 54.997 56.100 0.005 0.000 0.849 504 R CB 1.919 32.184 30.300 -0.060 0.000 1.128 504 R HN 0.354 nan 8.270 nan 0.000 0.448 505 V N 3.437 123.414 119.914 0.104 0.000 2.546 505 V HA 0.609 4.728 4.120 -0.001 0.000 0.284 505 V C -0.541 175.685 176.094 0.220 0.000 1.050 505 V CA -0.221 62.161 62.300 0.138 0.000 0.981 505 V CB 1.572 33.417 31.823 0.038 0.000 0.990 505 V HN 0.509 nan 8.190 nan 0.000 0.474 506 V N 6.385 126.469 119.914 0.284 0.000 2.932 506 V HA 0.515 4.635 4.120 -0.001 0.000 0.307 506 V C -0.493 175.764 176.094 0.272 0.000 1.147 506 V CA 0.024 62.523 62.300 0.332 0.000 0.951 506 V CB 1.566 33.605 31.823 0.361 0.000 1.031 506 V HN 1.432 nan 8.190 nan 0.000 0.426 507 Q N 3.245 123.226 119.800 0.302 0.000 2.588 507 Q HA -0.128 4.212 4.340 -0.001 0.000 0.234 507 Q C -0.052 175.879 176.000 -0.115 0.000 1.382 507 Q CA 0.770 56.570 55.803 -0.004 0.000 0.700 507 Q CB -0.868 27.503 28.738 -0.611 0.000 0.808 507 Q HN 1.512 nan 8.270 nan 0.000 0.310 508 G N 3.139 111.857 108.800 -0.137 0.000 2.442 508 G HA2 0.351 4.311 3.960 -0.001 0.000 0.249 508 G HA3 0.351 4.311 3.960 -0.001 0.000 0.249 508 G C -0.546 174.098 174.900 -0.426 0.000 1.263 508 G CA 0.173 44.829 45.100 -0.740 0.000 0.846 508 G HN 0.548 nan 8.290 nan 0.000 0.555 509 E N 1.013 120.936 120.200 -0.461 0.000 2.278 509 E HA 0.520 4.869 4.350 -0.001 0.000 0.272 509 E C -1.283 175.228 176.600 -0.149 0.000 0.890 509 E CA -0.713 55.565 56.400 -0.203 0.000 0.770 509 E CB 0.928 30.498 29.700 -0.215 0.000 1.212 509 E HN 0.241 nan 8.360 nan 0.000 0.415 510 F N 2.850 122.769 119.950 -0.051 0.000 2.370 510 F HA 0.350 4.877 4.527 -0.001 0.000 0.324 510 F C 1.271 177.059 175.800 -0.021 0.000 1.116 510 F CA -0.447 57.553 58.000 -0.000 0.000 1.123 510 F CB 0.634 39.638 39.000 0.007 0.000 1.238 510 F HN 0.522 nan 8.300 nan 0.000 0.536 511 N N 1.174 120.052 118.700 0.296 0.000 2.327 511 N HA 0.043 4.782 4.740 -0.001 0.000 0.257 511 N C 0.668 176.214 175.510 0.060 0.000 1.281 511 N CA -0.452 52.723 53.050 0.208 0.000 0.942 511 N CB 0.247 38.936 38.487 0.337 0.000 1.199 511 N HN 0.680 nan 8.380 nan 0.000 0.532 512 K N -0.880 119.534 120.400 0.024 0.000 2.103 512 K HA -0.144 4.175 4.320 -0.001 0.000 0.207 512 K C 0.145 176.721 176.600 -0.039 0.000 1.048 512 K CA 1.530 57.818 56.287 0.001 0.000 0.930 512 K CB -0.073 32.378 32.500 -0.081 0.000 0.716 512 K HN 0.471 nan 8.250 nan 0.000 0.444 513 D N -0.616 119.757 120.400 -0.045 0.000 2.347 513 D HA 0.029 4.669 4.640 -0.001 0.000 0.213 513 D C 0.795 176.997 176.300 -0.164 0.000 0.985 513 D CA 1.045 55.014 54.000 -0.052 0.000 0.879 513 D CB 0.347 41.145 40.800 -0.002 0.000 0.919 513 D HN 0.505 nan 8.370 nan 0.000 0.526 514 G N 1.258 109.826 108.800 -0.387 0.000 2.221 514 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.265 514 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.265 514 G C 0.988 175.905 174.900 0.027 0.000 1.041 514 G CA 1.079 45.770 45.100 -0.680 0.000 0.807 514 G HN 0.420 nan 8.290 nan 0.000 0.502 515 T N -3.788 110.851 114.554 0.143 0.000 3.010 515 T HA 0.504 4.853 4.350 -0.001 0.000 0.257 515 T C 0.437 175.282 174.700 0.241 0.000 1.020 515 T CA 0.737 62.956 62.100 0.199 0.000 0.938 515 T CB 0.872 69.821 68.868 0.134 0.000 1.049 515 T HN 0.511 nan 8.240 nan 0.000 0.522 516 E N 0.178 120.533 120.200 0.258 0.000 2.356 516 E HA 0.644 4.994 4.350 -0.001 0.000 0.275 516 E C -1.973 174.650 176.600 0.038 0.000 0.904 516 E CA -0.996 55.523 56.400 0.198 0.000 0.757 516 E CB 3.297 33.168 29.700 0.284 0.000 1.232 516 E HN 0.062 nan 8.360 nan 0.000 0.442 517 V N 2.516 122.332 119.914 -0.163 0.000 2.588 517 V HA 0.538 4.657 4.120 -0.001 0.000 0.304 517 V C -1.756 174.204 176.094 -0.223 0.000 1.042 517 V CA -0.481 61.468 62.300 -0.585 0.000 0.877 517 V CB 0.882 31.886 31.823 -1.366 0.000 0.996 517 V HN 0.590 nan 8.190 nan 0.000 0.425 518 W N 5.567 126.492 121.300 -0.625 0.000 2.551 518 W HA 0.758 5.417 4.660 -0.001 0.000 0.330 518 W C -0.717 175.383 176.519 -0.699 0.000 1.063 518 W CA -1.107 55.954 57.345 -0.472 0.000 1.222 518 W CB 1.359 30.594 29.460 -0.376 0.000 1.349 518 W HN 0.383 nan 8.180 nan 0.000 0.536 519 F N 1.038 121.016 119.950 0.047 0.000 2.551 519 F HA 0.469 4.996 4.527 -0.001 0.000 0.316 519 F C 0.411 176.221 175.800 0.016 0.000 1.089 519 F CA -1.065 56.943 58.000 0.013 0.000 0.915 519 F CB 1.725 40.726 39.000 0.001 0.000 1.186 519 F HN -0.027 nan 8.300 nan 0.000 0.456 520 S N 1.443 117.260 115.700 0.194 0.000 2.499 520 S HA 0.474 4.944 4.470 -0.001 0.000 0.279 520 S C -0.460 174.245 174.600 0.174 0.000 1.219 520 S CA -0.714 57.565 58.200 0.132 0.000 1.062 520 S CB 1.350 64.582 63.200 0.053 0.000 0.978 520 S HN 0.335 nan 8.310 nan 0.000 0.489 521 V N 4.399 124.396 119.914 0.138 0.000 2.270 521 V HA 0.163 4.282 4.120 -0.001 0.000 0.263 521 V C -0.618 175.600 176.094 0.206 0.000 1.066 521 V CA -0.667 61.716 62.300 0.139 0.000 0.857 521 V CB -0.353 31.513 31.823 0.072 0.000 1.099 521 V HN 0.903 nan 8.190 nan 0.000 0.476 522 W N 6.399 127.712 121.300 0.023 0.000 2.416 522 W HA 0.442 5.101 4.660 -0.001 0.000 0.318 522 W C -0.091 176.438 176.519 0.017 0.000 1.150 522 W CA -0.619 56.740 57.345 0.023 0.000 1.392 522 W CB 0.252 29.732 29.460 0.035 0.000 1.311 522 W HN 0.441 nan 8.180 nan 0.000 0.436 523 N N 2.651 121.454 118.700 0.171 0.000 2.531 523 N HA 0.597 5.337 4.740 -0.001 0.000 0.290 523 N C 0.076 175.595 175.510 0.014 0.000 1.257 523 N CA -0.324 52.721 53.050 -0.009 0.000 0.863 523 N CB 1.537 40.037 38.487 0.022 0.000 1.320 523 N HN 0.479 nan 8.380 nan 0.000 0.538 524 G N -0.096 108.684 108.800 -0.033 0.000 2.664 524 G HA2 0.045 4.005 3.960 -0.001 0.000 0.242 524 G HA3 0.045 4.005 3.960 -0.001 0.000 0.242 524 G C 1.026 175.971 174.900 0.075 0.000 1.225 524 G CA 0.030 45.138 45.100 0.013 0.000 0.849 524 G HN 0.745 nan 8.290 nan 0.000 0.581 525 K N -0.554 119.905 120.400 0.098 0.000 2.152 525 K HA -0.093 4.227 4.320 -0.001 0.000 0.206 525 K C 0.491 177.135 176.600 0.073 0.000 1.048 525 K CA 1.786 58.135 56.287 0.103 0.000 0.933 525 K CB 0.158 32.727 32.500 0.115 0.000 0.721 525 K HN 0.300 nan 8.250 nan 0.000 0.447 526 D N 0.612 121.044 120.400 0.054 0.000 2.388 526 D HA 0.096 4.736 4.640 -0.001 0.000 0.221 526 D C -0.000 176.317 176.300 0.029 0.000 1.133 526 D CA 0.206 54.230 54.000 0.040 0.000 0.831 526 D CB 0.460 41.280 40.800 0.033 0.000 0.962 526 D HN 0.264 nan 8.370 nan 0.000 0.502 527 Q N 0.145 119.964 119.800 0.031 0.000 2.486 527 Q HA 0.319 4.658 4.340 -0.001 0.000 0.274 527 Q C -0.274 175.742 176.000 0.028 0.000 1.076 527 Q CA -0.588 55.227 55.803 0.020 0.000 0.872 527 Q CB 1.870 30.613 28.738 0.007 0.000 1.383 527 Q HN 0.068 nan 8.270 nan 0.000 0.478 528 E N 0.457 120.668 120.200 0.018 0.000 2.200 528 E HA 0.352 4.702 4.350 -0.001 0.000 0.283 528 E C -0.868 175.750 176.600 0.029 0.000 1.015 528 E CA 0.026 56.438 56.400 0.019 0.000 0.819 528 E CB 0.838 30.541 29.700 0.006 0.000 1.081 528 E HN 0.403 nan 8.360 nan 0.000 0.397 529 S N 1.542 117.268 115.700 0.042 0.000 2.786 529 S HA 0.939 5.409 4.470 -0.001 0.000 0.307 529 S C -0.946 173.671 174.600 0.028 0.000 1.121 529 S CA -0.415 57.821 58.200 0.059 0.000 0.975 529 S CB 1.778 65.041 63.200 0.104 0.000 1.220 529 S HN 0.718 nan 8.310 nan 0.000 0.550 530 A N 0.235 123.072 122.820 0.029 0.000 2.586 530 A HA 0.721 5.041 4.320 -0.001 0.000 0.290 530 A C -2.187 175.389 177.584 -0.013 0.000 1.086 530 A CA -0.722 51.305 52.037 -0.016 0.000 0.665 530 A CB 0.623 19.597 19.000 -0.043 0.000 1.279 530 A HN 0.603 nan 8.150 nan 0.000 0.423 531 L N 0.560 121.737 121.223 -0.077 0.000 2.346 531 L HA 0.679 5.019 4.340 -0.001 0.000 0.276 531 L C -0.937 175.809 176.870 -0.206 0.000 1.006 531 L CA -1.096 53.682 54.840 -0.103 0.000 0.817 531 L CB 1.820 43.797 42.059 -0.138 0.000 1.272 531 L HN 0.417 nan 8.230 nan 0.000 0.421 532 V N 3.688 123.525 119.914 -0.128 0.000 2.384 532 V HA 0.344 4.463 4.120 -0.001 0.000 0.287 532 V C -0.010 175.956 176.094 -0.214 0.000 1.020 532 V CA -0.622 61.601 62.300 -0.129 0.000 0.850 532 V CB 2.132 34.001 31.823 0.075 0.000 0.987 532 V HN 0.433 nan 8.190 nan 0.000 0.436 533 V N 6.194 125.851 119.914 -0.429 0.000 2.350 533 V HA 0.404 4.524 4.120 -0.001 0.000 0.276 533 V C 0.008 175.979 176.094 -0.205 0.000 1.028 533 V CA -0.493 61.506 62.300 -0.501 0.000 0.860 533 V CB 1.591 32.869 31.823 -0.909 0.000 0.990 533 V HN 0.603 nan 8.190 nan 0.000 0.453 534 V N 3.664 123.561 119.914 -0.029 0.000 2.427 534 V HA 0.323 4.442 4.120 -0.001 0.000 0.286 534 V C 0.112 176.245 176.094 0.066 0.000 1.034 534 V CA -0.644 61.702 62.300 0.077 0.000 0.893 534 V CB 1.890 33.886 31.823 0.287 0.000 0.982 534 V HN 0.869 nan 8.190 nan 0.000 0.452 535 D N 3.028 123.462 120.400 0.057 0.000 2.338 535 D HA 0.015 4.655 4.640 -0.001 0.000 0.255 535 D C 0.853 177.266 176.300 0.189 0.000 1.237 535 D CA 0.108 54.168 54.000 0.100 0.000 0.883 535 D CB 1.309 42.139 40.800 0.050 0.000 1.087 535 D HN 0.743 nan 8.370 nan 0.000 0.485 536 D N 3.242 123.797 120.400 0.258 0.000 2.178 536 D HA -0.163 4.476 4.640 -0.001 0.000 0.201 536 D C 1.457 178.020 176.300 0.439 0.000 0.980 536 D CA 1.138 55.392 54.000 0.424 0.000 0.842 536 D CB 0.446 41.557 40.800 0.519 0.000 0.948 536 D HN 0.195 nan 8.370 nan 0.000 0.472 537 K N -0.580 120.003 120.400 0.305 0.000 2.057 537 K HA -0.055 4.265 4.320 -0.001 0.000 0.206 537 K C 2.218 178.972 176.600 0.257 0.000 1.050 537 K CA 1.670 58.122 56.287 0.276 0.000 0.935 537 K CB -0.622 31.982 32.500 0.174 0.000 0.715 537 K HN 0.425 nan 8.250 nan 0.000 0.439 538 T N -2.039 112.620 114.554 0.175 0.000 3.014 538 T HA 0.202 4.552 4.350 -0.001 0.000 0.250 538 T C 0.991 175.738 174.700 0.079 0.000 1.060 538 T CA -0.179 61.989 62.100 0.113 0.000 1.040 538 T CB -0.038 68.868 68.868 0.063 0.000 0.971 538 T HN 0.194 nan 8.240 nan 0.000 0.497 539 L N 0.408 121.687 121.223 0.094 0.000 3.865 539 L HA -0.167 4.173 4.340 -0.001 0.000 0.408 539 L C -0.262 176.708 176.870 0.167 0.000 1.209 539 L CA 0.412 55.306 54.840 0.091 0.000 0.940 539 L CB -2.120 39.888 42.059 -0.085 0.000 1.971 539 L HN 0.504 nan 8.230 nan 0.000 0.899 540 E N -0.005 120.229 120.200 0.057 0.000 2.249 540 E HA 0.553 4.903 4.350 -0.001 0.000 0.263 540 E C -0.277 176.087 176.600 -0.394 0.000 0.950 540 E CA -1.261 55.059 56.400 -0.133 0.000 0.827 540 E CB 2.147 31.767 29.700 -0.134 0.000 1.220 540 E HN 0.102 nan 8.360 nan 0.000 0.411 541 L N 2.326 122.945 121.223 -1.007 0.000 2.513 541 L HA -0.004 4.336 4.340 -0.001 0.000 0.272 541 L C 0.691 177.281 176.870 -0.467 0.000 1.187 541 L CA 0.779 55.044 54.840 -0.960 0.000 0.895 541 L CB 0.466 41.691 42.059 -1.390 0.000 1.147 541 L HN 0.478 nan 8.230 nan 0.000 0.483 542 K N 3.382 123.589 120.400 -0.322 0.000 2.216 542 K HA 0.154 4.473 4.320 -0.001 0.000 0.207 542 K C -0.456 176.012 176.600 -0.221 0.000 1.041 542 K CA 0.789 56.946 56.287 -0.218 0.000 0.966 542 K CB 0.025 32.433 32.500 -0.154 0.000 0.955 542 K HN 0.828 nan 8.250 nan 0.000 0.468 543 H N -1.131 117.652 119.070 -0.479 0.000 3.038 543 H HA 0.511 5.066 4.556 -0.001 0.000 0.362 543 H C -1.919 173.100 175.328 -0.515 0.000 1.167 543 H CA -0.830 54.892 56.048 -0.544 0.000 1.197 543 H CB 1.654 30.867 29.762 -0.915 0.000 1.840 543 H HN -0.124 nan 8.280 nan 0.000 0.540 544 V N 6.159 125.493 119.914 -0.967 0.000 2.384 544 V HA 0.336 4.455 4.120 -0.001 0.000 0.287 544 V C 0.167 175.789 176.094 -0.786 0.000 1.020 544 V CA -0.589 61.304 62.300 -0.677 0.000 0.850 544 V CB 1.190 32.776 31.823 -0.394 0.000 0.987 544 V HN 0.614 nan 8.190 nan 0.000 0.436 545 I N 5.391 125.674 120.570 -0.479 0.000 2.304 545 I HA 0.455 4.624 4.170 -0.001 0.000 0.291 545 I C 0.084 176.103 176.117 -0.163 0.000 1.018 545 I CA -0.210 60.929 61.300 -0.269 0.000 1.260 545 I CB 0.846 38.719 38.000 -0.212 0.000 1.390 545 I HN 0.526 nan 8.210 nan 0.000 0.475 546 K N 5.197 125.527 120.400 -0.117 0.000 2.422 546 K HA 0.538 4.858 4.320 -0.001 0.000 0.251 546 K C -1.394 175.187 176.600 -0.032 0.000 0.933 546 K CA -0.867 55.378 56.287 -0.069 0.000 0.798 546 K CB 2.655 35.110 32.500 -0.075 0.000 1.238 546 K HN 0.474 nan 8.250 nan 0.000 0.428 547 D N 1.302 121.695 120.400 -0.012 0.000 2.769 547 D HA 0.031 4.671 4.640 -0.001 0.000 0.219 547 D C 0.112 176.419 176.300 0.011 0.000 1.245 547 D CA -0.249 53.752 54.000 0.003 0.000 0.801 547 D CB 1.760 42.567 40.800 0.011 0.000 1.598 547 D HN 0.425 nan 8.370 nan 0.000 0.485 548 E N 1.468 121.677 120.200 0.014 0.000 2.209 548 E HA -0.132 4.218 4.350 -0.001 0.000 0.196 548 E C 1.443 178.059 176.600 0.028 0.000 0.993 548 E CA 0.936 57.348 56.400 0.020 0.000 0.819 548 E CB 0.127 29.838 29.700 0.019 0.000 0.745 548 E HN 0.422 nan 8.360 nan 0.000 0.477 549 R N 0.090 120.607 120.500 0.029 0.000 2.236 549 R HA 0.030 4.369 4.340 -0.001 0.000 0.208 549 R C 0.912 177.235 176.300 0.039 0.000 1.036 549 R CA -0.063 56.059 56.100 0.036 0.000 1.001 549 R CB -0.094 30.227 30.300 0.036 0.000 0.896 549 R HN -0.031 nan 8.270 nan 0.000 0.464 550 L N 2.106 123.350 121.223 0.035 0.000 2.391 550 L HA 0.102 4.442 4.340 -0.001 0.000 0.249 550 L C -0.747 176.153 176.870 0.050 0.000 1.308 550 L CA 0.102 54.965 54.840 0.038 0.000 1.209 550 L CB 0.457 42.533 42.059 0.028 0.000 1.401 550 L HN -0.205 nan 8.230 nan 0.000 0.416 551 V N 2.988 122.935 119.914 0.055 0.000 2.432 551 V HA 0.209 4.328 4.120 -0.001 0.000 0.275 551 V C 0.860 177.006 176.094 0.085 0.000 1.043 551 V CA 0.041 62.386 62.300 0.074 0.000 0.925 551 V CB 0.864 32.731 31.823 0.073 0.000 0.985 551 V HN 0.857 nan 8.190 nan 0.000 0.466 552 T N 4.205 118.847 114.554 0.145 0.000 3.549 552 T HA -0.117 4.233 4.350 -0.001 0.000 0.398 552 T C -1.675 173.042 174.700 0.028 0.000 0.766 552 T CA -0.019 62.218 62.100 0.228 0.000 2.007 552 T CB -1.729 67.307 68.868 0.280 0.000 1.727 552 T HN 0.584 nan 8.240 nan 0.000 0.693 553 P HA 0.230 nan 4.420 nan 0.000 0.271 553 P C 0.991 178.156 177.300 -0.226 0.000 1.233 553 P CA 0.132 63.192 63.100 -0.067 0.000 0.764 553 P CB 1.482 33.189 31.700 0.012 0.000 0.825 554 T N 1.040 115.393 114.554 -0.334 0.000 2.638 554 T HA 0.373 4.722 4.350 -0.001 0.000 0.169 554 T C 1.003 175.510 174.700 -0.322 0.000 0.790 554 T CA 0.062 61.873 62.100 -0.483 0.000 1.151 554 T CB -0.805 67.612 68.868 -0.753 0.000 2.581 554 T HN 0.313 nan 8.240 nan 0.000 0.391 555 G N 1.968 110.583 108.800 -0.309 0.000 2.380 555 G HA2 0.486 4.445 3.960 -0.001 0.000 0.242 555 G HA3 0.486 4.445 3.960 -0.001 0.000 0.242 555 G C -0.956 173.724 174.900 -0.367 0.000 1.298 555 G CA -0.444 44.447 45.100 -0.347 0.000 0.878 555 G HN 0.656 nan 8.290 nan 0.000 0.542 556 K N 0.870 120.848 120.400 -0.704 0.000 2.397 556 K HA 0.492 4.811 4.320 -0.001 0.000 0.253 556 K C -1.568 174.431 176.600 -1.001 0.000 0.932 556 K CA -0.478 55.508 56.287 -0.502 0.000 0.795 556 K CB 2.309 34.699 32.500 -0.184 0.000 1.159 556 K HN 0.361 nan 8.250 nan 0.000 0.424 557 F N 1.553 121.457 119.950 -0.076 0.000 2.539 557 F HA 0.245 4.772 4.527 -0.001 0.000 0.328 557 F C 0.266 175.871 175.800 -0.324 0.000 1.148 557 F CA -0.988 56.918 58.000 -0.157 0.000 0.940 557 F CB 1.440 40.387 39.000 -0.089 0.000 1.194 557 F HN 0.459 nan 8.300 nan 0.000 0.438 558 N N 2.459 120.881 118.700 -0.463 0.000 2.497 558 N HA 0.092 4.832 4.740 -0.001 0.000 0.271 558 N C 0.933 176.302 175.510 -0.235 0.000 1.142 558 N CA -0.007 52.589 53.050 -0.757 0.000 0.965 558 N CB 1.603 39.494 38.487 -0.992 0.000 1.077 558 N HN 0.467 nan 8.380 nan 0.000 0.462 559 V N 4.409 124.232 119.914 -0.152 0.000 2.255 559 V HA -0.274 3.846 4.120 -0.001 0.000 0.247 559 V C 1.807 177.931 176.094 0.050 0.000 1.051 559 V CA 1.756 64.058 62.300 0.004 0.000 1.018 559 V CB -1.066 30.792 31.823 0.058 0.000 0.641 559 V HN 0.749 nan 8.190 nan 0.000 0.445 560 Y N 1.556 121.839 120.300 -0.029 0.000 2.163 560 Y HA -0.193 4.356 4.550 -0.001 0.000 0.288 560 Y C 2.534 178.467 175.900 0.054 0.000 1.136 560 Y CA 1.974 60.090 58.100 0.025 0.000 1.147 560 Y CB -0.241 38.237 38.460 0.030 0.000 0.987 560 Y HN 0.303 nan 8.280 nan 0.000 0.509 561 N N -0.896 117.897 118.700 0.154 0.000 2.309 561 N HA -0.122 4.617 4.740 -0.001 0.000 0.182 561 N C 1.630 177.211 175.510 0.118 0.000 1.018 561 N CA 1.743 54.884 53.050 0.152 0.000 0.876 561 N CB -0.504 38.109 38.487 0.210 0.000 0.972 561 N HN 0.380 nan 8.380 nan 0.000 0.434 562 T N 1.804 116.411 114.554 0.088 0.000 2.894 562 T HA -0.001 4.349 4.350 -0.001 0.000 0.258 562 T C 2.065 176.798 174.700 0.056 0.000 1.043 562 T CA 0.893 63.061 62.100 0.114 0.000 1.141 562 T CB -0.086 68.845 68.868 0.106 0.000 0.873 562 T HN 0.366 nan 8.240 nan 0.000 0.449 563 M N 2.000 121.594 119.600 -0.010 0.000 2.213 563 M HA -0.027 4.453 4.480 -0.001 0.000 0.263 563 M C 2.098 178.367 176.300 -0.052 0.000 1.062 563 M CA 1.900 57.181 55.300 -0.033 0.000 1.105 563 M CB -1.166 31.401 32.600 -0.055 0.000 1.385 563 M HN 0.219 nan 8.290 nan 0.000 0.417 564 T N -3.941 110.532 114.554 -0.134 0.000 3.086 564 T HA 0.135 4.484 4.350 -0.001 0.000 0.250 564 T C 0.002 174.719 174.700 0.027 0.000 1.074 564 T CA 0.048 62.089 62.100 -0.098 0.000 0.988 564 T CB -0.325 68.344 68.868 -0.331 0.000 0.988 564 T HN 0.462 nan 8.240 nan 0.000 0.530 565 D N 1.317 121.758 120.400 0.068 0.000 2.689 565 D HA -0.109 4.531 4.640 -0.001 0.000 0.237 565 D C -0.731 175.503 176.300 -0.109 0.000 1.148 565 D CA 0.910 54.962 54.000 0.086 0.000 0.656 565 D CB -1.904 38.828 40.800 -0.114 0.000 1.050 565 D HN 0.438 nan 8.370 nan 0.000 0.426 566 T N 1.236 115.804 114.554 0.023 0.000 2.811 566 T HA 0.501 4.850 4.350 -0.001 0.000 0.309 566 T C -0.013 174.732 174.700 0.075 0.000 1.005 566 T CA -0.433 61.639 62.100 -0.047 0.000 0.955 566 T CB 0.300 69.179 68.868 0.018 0.000 0.970 566 T HN 0.278 nan 8.240 nan 0.000 0.496 567 Y N 0.000 120.371 120.300 0.118 0.000 2.660 567 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 567 Y CA 0.000 58.188 58.100 0.146 0.000 1.940 567 Y CB 0.000 38.584 38.460 0.207 0.000 1.050 567 Y HN 0.000 nan 8.280 nan 0.000 0.758