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 3oc0_1_B DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP 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 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.643 174.600 0.072 0.000 1.055 39 S CA 0.000 58.238 58.200 0.063 0.000 1.107 39 S CB 0.000 63.228 63.200 0.047 0.000 0.593 40 R N 3.420 123.968 120.500 0.079 0.000 2.740 40 R HA 0.218 4.558 4.340 -0.000 0.000 0.263 40 R C 0.375 176.727 176.300 0.086 0.000 0.997 40 R CA 0.580 56.727 56.100 0.078 0.000 1.108 40 R CB -0.008 30.336 30.300 0.072 0.000 0.969 40 R HN 0.586 nan 8.270 nan 0.000 0.431 41 K N 0.016 120.471 120.400 0.091 0.000 2.219 41 K HA 0.152 4.472 4.320 -0.000 0.000 0.258 41 K C -0.132 176.536 176.600 0.113 0.000 1.008 41 K CA -0.454 55.895 56.287 0.104 0.000 0.928 41 K CB 0.853 33.425 32.500 0.119 0.000 0.983 41 K HN 0.359 nan 8.250 nan 0.000 0.484 42 T N 0.773 115.401 114.554 0.124 0.000 2.934 42 T HA 0.101 4.451 4.350 -0.000 0.000 0.283 42 T C -1.327 173.495 174.700 0.205 0.000 1.005 42 T CA -0.559 61.626 62.100 0.141 0.000 1.041 42 T CB 0.208 69.153 68.868 0.127 0.000 1.042 42 T HN 0.449 nan 8.240 nan 0.000 0.505 43 Y N 3.871 124.235 120.300 0.106 0.000 2.637 43 Y HA 0.281 4.831 4.550 0.000 0.000 0.350 43 Y C 1.014 177.068 175.900 0.257 0.000 1.069 43 Y CA -0.425 57.776 58.100 0.167 0.000 1.397 43 Y CB -0.291 38.234 38.460 0.109 0.000 1.163 43 Y HN 0.633 nan 8.280 nan 0.000 0.527 44 T N 2.734 117.247 114.554 -0.068 0.000 2.927 44 T HA 0.173 4.523 4.350 -0.000 0.000 0.281 44 T C 1.028 175.605 174.700 -0.205 0.000 0.998 44 T CA -0.804 61.311 62.100 0.026 0.000 1.019 44 T CB 1.366 70.232 68.868 -0.003 0.000 1.061 44 T HN 0.667 nan 8.240 nan 0.000 0.518 45 L N 1.435 122.385 121.223 -0.455 0.000 2.081 45 L HA -0.045 4.295 4.340 -0.000 0.000 0.212 45 L C 2.427 179.122 176.870 -0.291 0.000 1.080 45 L CA 2.162 56.547 54.840 -0.757 0.000 0.754 45 L CB -1.456 40.052 42.059 -0.918 0.000 0.893 45 L HN 0.937 nan 8.230 nan 0.000 0.433 46 T N -0.793 113.632 114.554 -0.215 0.000 2.951 46 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 46 T C 1.434 176.038 174.700 -0.160 0.000 1.073 46 T CA 1.074 63.083 62.100 -0.151 0.000 1.134 46 T CB -0.320 68.484 68.868 -0.106 0.000 0.884 46 T HN 0.410 nan 8.240 nan 0.000 0.479 47 D N 0.585 120.851 120.400 -0.224 0.000 2.097 47 D HA -0.101 4.539 4.640 -0.000 0.000 0.195 47 D C 1.758 177.958 176.300 -0.167 0.000 0.989 47 D CA 1.107 54.947 54.000 -0.267 0.000 0.827 47 D CB -0.418 40.130 40.800 -0.420 0.000 0.966 47 D HN 0.400 nan 8.370 nan 0.000 0.456 48 Y N 1.389 121.495 120.300 -0.323 0.000 2.145 48 Y HA -0.189 4.361 4.550 -0.000 0.000 0.286 48 Y C 2.018 177.920 175.900 0.003 0.000 1.145 48 Y CA 1.012 59.104 58.100 -0.013 0.000 1.148 48 Y CB -0.524 37.967 38.460 0.052 0.000 0.981 48 Y HN -0.136 nan 8.280 nan 0.000 0.507 49 L N 0.657 121.718 121.223 -0.270 0.000 2.046 49 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 49 L C 2.036 178.784 176.870 -0.202 0.000 1.077 49 L CA 1.844 56.476 54.840 -0.347 0.000 0.747 49 L CB -0.890 41.044 42.059 -0.209 0.000 0.896 49 L HN 0.171 nan 8.230 nan 0.000 0.432 50 K N -0.833 119.483 120.400 -0.140 0.000 2.404 50 K HA 0.093 4.413 4.320 -0.000 0.000 0.194 50 K C 0.238 176.787 176.600 -0.085 0.000 1.023 50 K CA -0.059 56.167 56.287 -0.102 0.000 1.094 50 K CB -0.082 32.361 32.500 -0.095 0.000 0.841 50 K HN 0.254 nan 8.250 nan 0.000 0.523 51 N N 1.301 119.962 118.700 -0.065 0.000 2.727 51 N HA -0.184 4.556 4.740 -0.000 0.000 0.251 51 N C -0.174 175.317 175.510 -0.032 0.000 1.040 51 N CA 0.323 53.371 53.050 -0.003 0.000 0.712 51 N CB -0.448 38.027 38.487 -0.021 0.000 0.912 51 N HN 0.181 nan 8.380 nan 0.000 0.545 52 T N -0.485 114.007 114.554 -0.104 0.000 2.857 52 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 52 T C 0.264 174.730 174.700 -0.391 0.000 1.048 52 T CA 1.159 63.074 62.100 -0.308 0.000 1.139 52 T CB -0.052 68.501 68.868 -0.524 0.000 0.874 52 T HN 0.331 nan 8.240 nan 0.000 0.455 53 Y N 2.398 122.800 120.300 0.170 0.000 2.593 53 Y HA 0.458 5.008 4.550 0.000 0.000 0.331 53 Y C 0.402 176.401 175.900 0.165 0.000 0.986 53 Y CA -1.212 56.998 58.100 0.183 0.000 1.262 53 Y CB 0.107 38.725 38.460 0.263 0.000 1.098 53 Y HN -0.121 nan 8.280 nan 0.000 0.506 54 R N 2.890 123.520 120.500 0.217 0.000 2.349 54 R HA 0.484 4.824 4.340 -0.000 0.000 0.299 54 R C -0.764 175.632 176.300 0.162 0.000 1.027 54 R CA -0.819 55.379 56.100 0.163 0.000 0.958 54 R CB 1.223 31.579 30.300 0.094 0.000 1.047 54 R HN 0.562 nan 8.270 nan 0.000 0.468 55 L N 3.376 124.696 121.223 0.162 0.000 2.410 55 L HA 0.168 4.508 4.340 -0.000 0.000 0.273 55 L C 0.574 177.509 176.870 0.108 0.000 1.144 55 L CA 0.214 55.144 54.840 0.150 0.000 0.863 55 L CB 0.356 42.521 42.059 0.176 0.000 1.140 55 L HN 0.367 nan 8.230 nan 0.000 0.463 56 K N 3.965 124.420 120.400 0.092 0.000 2.098 56 K HA 0.647 4.967 4.320 -0.000 0.000 0.261 56 K C -0.654 175.952 176.600 0.010 0.000 0.987 56 K CA -0.579 55.737 56.287 0.048 0.000 0.916 56 K CB 1.411 33.937 32.500 0.043 0.000 1.039 56 K HN 0.401 nan 8.250 nan 0.000 0.455 57 L N 0.897 122.071 121.223 -0.082 0.000 2.235 57 L HA 0.471 4.811 4.340 -0.000 0.000 0.260 57 L C -0.889 175.749 176.870 -0.388 0.000 1.025 57 L CA -1.018 53.662 54.840 -0.267 0.000 0.836 57 L CB 0.918 42.919 42.059 -0.097 0.000 1.395 57 L HN 0.556 nan 8.230 nan 0.000 0.443 58 Y N 0.155 119.992 120.300 -0.772 0.000 2.529 58 Y HA 0.295 4.845 4.550 0.000 0.000 0.319 58 Y C -0.594 175.190 175.900 -0.193 0.000 1.063 58 Y CA -0.550 57.293 58.100 -0.427 0.000 1.178 58 Y CB 1.054 39.127 38.460 -0.644 0.000 1.123 58 Y HN 0.452 nan 8.280 nan 0.000 0.625 59 S N 5.568 121.221 115.700 -0.078 0.000 2.430 59 S HA 0.419 4.889 4.470 -0.000 0.000 0.282 59 S C -0.213 174.360 174.600 -0.045 0.000 1.186 59 S CA -0.381 57.800 58.200 -0.032 0.000 1.060 59 S CB -0.046 63.126 63.200 -0.047 0.000 0.966 59 S HN 0.559 nan 8.310 nan 0.000 0.501 60 L N 1.740 122.905 121.223 -0.096 0.000 2.303 60 L HA 0.738 5.078 4.340 -0.000 0.000 0.266 60 L C -0.677 176.111 176.870 -0.136 0.000 1.011 60 L CA -1.032 53.704 54.840 -0.174 0.000 0.818 60 L CB 1.362 43.038 42.059 -0.639 0.000 1.326 60 L HN 0.463 nan 8.230 nan 0.000 0.435 61 R N 1.312 121.778 120.500 -0.056 0.000 2.388 61 R HA 0.369 4.709 4.340 -0.000 0.000 0.314 61 R C -1.464 174.876 176.300 0.067 0.000 0.959 61 R CA -0.391 55.727 56.100 0.030 0.000 0.851 61 R CB 1.279 31.644 30.300 0.108 0.000 1.168 61 R HN 0.638 nan 8.270 nan 0.000 0.472 62 W N 3.289 124.696 121.300 0.177 0.000 2.223 62 W HA 0.037 4.697 4.660 0.000 0.000 0.334 62 W C 1.140 177.745 176.519 0.144 0.000 1.334 62 W CA -0.030 57.429 57.345 0.190 0.000 1.246 62 W CB 0.405 29.974 29.460 0.182 0.000 1.184 62 W HN 0.584 nan 8.180 nan 0.000 0.563 63 I N 2.305 123.117 120.570 0.403 0.000 4.240 63 I HA 0.020 4.190 4.170 -0.000 0.000 0.331 63 I C 0.555 176.785 176.117 0.188 0.000 1.381 63 I CA 0.422 61.851 61.300 0.215 0.000 1.136 63 I CB 0.017 38.071 38.000 0.089 0.000 1.137 63 I HN 0.430 nan 8.210 nan 0.000 0.411 64 S N -1.356 114.493 115.700 0.248 0.000 2.862 64 S HA 0.148 4.618 4.470 -0.000 0.000 0.300 64 S C -0.191 174.544 174.600 0.225 0.000 1.240 64 S CA 0.022 58.344 58.200 0.204 0.000 1.025 64 S CB 0.411 63.713 63.200 0.170 0.000 1.340 64 S HN 0.080 nan 8.310 nan 0.000 0.544 65 D N -0.053 120.502 120.400 0.258 0.000 2.350 65 D HA 0.074 4.714 4.640 -0.000 0.000 0.213 65 D C 0.887 177.409 176.300 0.370 0.000 1.031 65 D CA 1.303 55.438 54.000 0.225 0.000 0.861 65 D CB -0.711 40.200 40.800 0.186 0.000 0.926 65 D HN 0.951 nan 8.370 nan 0.000 0.520 66 H N -2.829 116.380 119.070 0.230 0.000 3.650 66 H HA 0.481 5.037 4.556 0.000 0.000 0.260 66 H C -0.418 175.035 175.328 0.207 0.000 1.194 66 H CA -0.645 55.531 56.048 0.213 0.000 1.135 66 H CB 0.319 30.207 29.762 0.210 0.000 1.612 66 H HN -0.056 nan 8.280 nan 0.000 0.703 67 E N 0.923 121.123 120.200 0.001 0.000 2.367 67 E HA 0.352 4.702 4.350 -0.000 0.000 0.273 67 E C -1.640 175.111 176.600 0.250 0.000 0.903 67 E CA -1.429 54.955 56.400 -0.028 0.000 0.764 67 E CB 2.622 32.159 29.700 -0.272 0.000 1.252 67 E HN 0.344 nan 8.360 nan 0.000 0.446 68 Y N -0.875 119.436 120.300 0.018 0.000 2.609 68 Y HA 0.665 5.215 4.550 -0.000 0.000 0.342 68 Y C -1.447 174.431 175.900 -0.037 0.000 1.058 68 Y CA -1.411 56.620 58.100 -0.117 0.000 1.055 68 Y CB 0.817 38.899 38.460 -0.631 0.000 1.292 68 Y HN 0.320 nan 8.280 nan 0.000 0.476 69 L N 2.764 124.099 121.223 0.186 0.000 2.325 69 L HA 0.488 4.828 4.340 -0.000 0.000 0.279 69 L C -1.248 175.817 176.870 0.325 0.000 1.054 69 L CA -0.860 54.075 54.840 0.157 0.000 0.804 69 L CB 1.367 43.454 42.059 0.046 0.000 1.200 69 L HN 0.775 nan 8.230 nan 0.000 0.436 70 Y N 2.774 123.160 120.300 0.142 0.000 2.479 70 Y HA 0.359 4.909 4.550 0.000 0.000 0.338 70 Y C -0.940 174.984 175.900 0.040 0.000 1.055 70 Y CA -1.375 56.753 58.100 0.047 0.000 1.023 70 Y CB 1.623 40.095 38.460 0.020 0.000 1.287 70 Y HN 0.533 nan 8.280 nan 0.000 0.447 71 K N 4.960 124.985 120.400 -0.623 0.000 2.213 71 K HA 0.526 4.846 4.320 -0.000 0.000 0.270 71 K C -1.301 174.922 176.600 -0.630 0.000 1.002 71 K CA -0.784 55.247 56.287 -0.428 0.000 0.868 71 K CB 1.933 34.299 32.500 -0.223 0.000 1.093 71 K HN 0.716 nan 8.250 nan 0.000 0.454 72 Q N 2.937 122.599 119.800 -0.231 0.000 2.292 72 Q HA 0.101 4.441 4.340 -0.000 0.000 0.270 72 Q C -1.042 174.937 176.000 -0.035 0.000 1.024 72 Q CA -0.306 55.453 55.803 -0.073 0.000 0.768 72 Q CB 1.338 30.181 28.738 0.175 0.000 1.250 72 Q HN 0.864 nan 8.270 nan 0.000 0.447 73 E N 2.700 122.878 120.200 -0.036 0.000 2.360 73 E HA -0.318 4.032 4.350 -0.000 0.000 0.238 73 E C -0.591 175.987 176.600 -0.037 0.000 1.186 73 E CA 0.528 56.914 56.400 -0.023 0.000 0.719 73 E CB -1.222 28.477 29.700 -0.001 0.000 1.236 73 E HN 0.844 nan 8.360 nan 0.000 0.386 74 N N 0.227 118.891 118.700 -0.060 0.000 2.677 74 N HA -0.192 4.548 4.740 -0.000 0.000 0.249 74 N C -0.849 174.629 175.510 -0.053 0.000 1.073 74 N CA 1.212 54.227 53.050 -0.058 0.000 0.737 74 N CB -0.586 37.879 38.487 -0.037 0.000 0.999 74 N HN 0.388 nan 8.380 nan 0.000 0.543 75 N N 0.345 119.014 118.700 -0.052 0.000 2.479 75 N HA 0.329 5.069 4.740 -0.000 0.000 0.285 75 N C 0.242 175.722 175.510 -0.049 0.000 1.075 75 N CA -0.280 52.740 53.050 -0.049 0.000 0.967 75 N CB 0.935 39.403 38.487 -0.031 0.000 1.137 75 N HN 0.175 nan 8.380 nan 0.000 0.472 76 I N 3.233 123.770 120.570 -0.055 0.000 2.312 76 I HA 0.207 4.377 4.170 -0.000 0.000 0.291 76 I C 0.080 176.229 176.117 0.053 0.000 1.031 76 I CA -0.286 60.984 61.300 -0.049 0.000 1.293 76 I CB 0.469 38.372 38.000 -0.162 0.000 1.403 76 I HN 0.184 nan 8.210 nan 0.000 0.484 77 L N 6.736 128.014 121.223 0.092 0.000 2.322 77 L HA 0.666 5.006 4.340 -0.000 0.000 0.269 77 L C -0.490 176.444 176.870 0.106 0.000 1.012 77 L CA -1.118 53.785 54.840 0.105 0.000 0.815 77 L CB 1.992 44.132 42.059 0.134 0.000 1.295 77 L HN 0.194 nan 8.230 nan 0.000 0.438 78 V N 0.814 120.726 119.914 -0.003 0.000 2.513 78 V HA 0.457 4.577 4.120 -0.000 0.000 0.299 78 V C -0.697 175.245 176.094 -0.252 0.000 1.035 78 V CA -0.439 61.818 62.300 -0.071 0.000 0.889 78 V CB 1.732 33.523 31.823 -0.054 0.000 0.988 78 V HN 0.346 nan 8.190 nan 0.000 0.440 79 F N 2.505 122.139 119.950 -0.527 0.000 2.492 79 F HA 0.453 4.980 4.527 -0.000 0.000 0.327 79 F C 0.500 176.016 175.800 -0.474 0.000 1.079 79 F CA -0.650 56.993 58.000 -0.593 0.000 0.967 79 F CB 1.590 39.920 39.000 -1.117 0.000 1.169 79 F HN 0.450 nan 8.300 nan 0.000 0.472 80 N N 1.920 120.552 118.700 -0.113 0.000 2.426 80 N HA 0.274 5.014 4.740 -0.000 0.000 0.257 80 N C 0.401 175.894 175.510 -0.028 0.000 1.002 80 N CA 0.129 53.155 53.050 -0.041 0.000 0.942 80 N CB 1.781 40.312 38.487 0.074 0.000 1.112 80 N HN 0.781 nan 8.380 nan 0.000 0.499 81 A N 3.834 126.588 122.820 -0.109 0.000 1.877 81 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 81 A C 1.851 179.254 177.584 -0.301 0.000 1.186 81 A CA 1.481 53.389 52.037 -0.215 0.000 0.620 81 A CB -0.558 18.138 19.000 -0.508 0.000 0.822 81 A HN 0.769 nan 8.150 nan 0.000 0.443 82 E N -0.972 119.004 120.200 -0.374 0.000 2.085 82 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 82 E C 1.133 177.492 176.600 -0.403 0.000 0.994 82 E CA 1.821 58.008 56.400 -0.355 0.000 0.801 82 E CB -0.330 29.066 29.700 -0.506 0.000 0.743 82 E HN 0.717 nan 8.360 nan 0.000 0.453 83 Y N -2.225 118.094 120.300 0.032 0.000 2.453 83 Y HA 0.372 4.922 4.550 -0.000 0.000 0.247 83 Y C 1.607 177.521 175.900 0.023 0.000 1.124 83 Y CA 0.272 58.389 58.100 0.028 0.000 1.243 83 Y CB 1.006 39.482 38.460 0.026 0.000 1.213 83 Y HN 0.169 nan 8.280 nan 0.000 0.523 84 G N 0.903 109.795 108.800 0.153 0.000 2.234 84 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.260 84 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.260 84 G C 0.291 175.252 174.900 0.102 0.000 0.987 84 G CA 0.261 45.460 45.100 0.166 0.000 0.625 84 G HN 0.475 nan 8.290 nan 0.000 0.532 85 N N 0.803 119.524 118.700 0.035 0.000 2.492 85 N HA 0.402 5.142 4.740 -0.000 0.000 0.260 85 N C 0.037 175.367 175.510 -0.299 0.000 1.215 85 N CA 0.901 53.897 53.050 -0.090 0.000 0.923 85 N CB 1.262 39.720 38.487 -0.049 0.000 1.092 85 N HN 0.921 nan 8.380 nan 0.000 0.448 86 S N 0.431 115.874 115.700 -0.428 0.000 2.568 86 S HA 0.720 5.190 4.470 -0.000 0.000 0.293 86 S C -0.715 173.674 174.600 -0.351 0.000 1.089 86 S CA -0.795 57.006 58.200 -0.665 0.000 0.945 86 S CB 1.722 64.182 63.200 -1.233 0.000 1.077 86 S HN 0.642 nan 8.310 nan 0.000 0.485 87 S N 0.094 115.623 115.700 -0.284 0.000 2.704 87 S HA 0.669 5.139 4.470 -0.000 0.000 0.296 87 S C -1.092 173.447 174.600 -0.100 0.000 1.138 87 S CA -0.730 57.380 58.200 -0.149 0.000 0.875 87 S CB 1.637 64.780 63.200 -0.096 0.000 1.151 87 S HN 1.226 nan 8.310 nan 0.000 0.500 88 V N 2.785 122.659 119.914 -0.067 0.000 2.318 88 V HA 0.424 4.544 4.120 -0.000 0.000 0.271 88 V C 0.296 176.376 176.094 -0.023 0.000 1.030 88 V CA -0.343 61.933 62.300 -0.040 0.000 0.844 88 V CB -0.109 31.674 31.823 -0.067 0.000 1.015 88 V HN 0.884 nan 8.190 nan 0.000 0.460 89 F N 6.088 125.979 119.950 -0.098 0.000 2.102 89 F HA 0.195 4.722 4.527 -0.000 0.000 0.298 89 F C 0.727 176.462 175.800 -0.108 0.000 1.105 89 F CA 1.574 59.518 58.000 -0.094 0.000 1.239 89 F CB 0.395 39.341 39.000 -0.089 0.000 0.991 89 F HN 0.378 nan 8.300 nan 0.000 0.474 90 L N 1.320 122.503 121.223 -0.067 0.000 2.482 90 L HA 0.270 4.610 4.340 -0.000 0.000 0.269 90 L C -1.201 175.575 176.870 -0.157 0.000 0.967 90 L CA -0.820 53.916 54.840 -0.174 0.000 0.851 90 L CB 1.612 43.620 42.059 -0.086 0.000 1.242 90 L HN -0.003 nan 8.230 nan 0.000 0.404 91 E N 2.999 123.076 120.200 -0.204 0.000 2.376 91 E HA -0.002 4.348 4.350 -0.000 0.000 0.266 91 E C 1.013 177.516 176.600 -0.160 0.000 1.009 91 E CA -0.269 56.032 56.400 -0.166 0.000 0.902 91 E CB 0.364 29.961 29.700 -0.171 0.000 0.972 91 E HN 0.582 nan 8.360 nan 0.000 0.439 92 N N 2.817 121.454 118.700 -0.105 0.000 2.091 92 N HA -0.298 4.442 4.740 -0.000 0.000 0.193 92 N C 0.859 176.318 175.510 -0.085 0.000 1.021 92 N CA 2.124 55.127 53.050 -0.078 0.000 0.862 92 N CB -0.698 37.757 38.487 -0.053 0.000 1.018 92 N HN 0.360 nan 8.380 nan 0.000 0.429 93 S N 0.037 115.675 115.700 -0.103 0.000 2.368 93 S HA -0.084 4.386 4.470 -0.000 0.000 0.225 93 S C 0.689 175.196 174.600 -0.154 0.000 1.030 93 S CA 1.209 59.349 58.200 -0.101 0.000 0.999 93 S CB -1.155 61.987 63.200 -0.096 0.000 0.844 93 S HN 0.651 nan 8.310 nan 0.000 0.459 94 T N 2.509 116.891 114.554 -0.285 0.000 2.923 94 T HA 0.084 4.434 4.350 -0.000 0.000 0.304 94 T C -0.068 174.340 174.700 -0.486 0.000 1.044 94 T CA -0.029 61.728 62.100 -0.571 0.000 1.141 94 T CB -0.564 67.733 68.868 -0.952 0.000 1.023 94 T HN 0.272 nan 8.240 nan 0.000 0.533 95 F N 0.723 120.610 119.950 -0.105 0.000 2.781 95 F HA -0.136 4.391 4.527 -0.000 0.000 0.350 95 F C 0.473 176.277 175.800 0.006 0.000 1.048 95 F CA -0.134 57.834 58.000 -0.052 0.000 1.134 95 F CB -2.453 36.432 39.000 -0.191 0.000 1.440 95 F HN 0.665 nan 8.300 nan 0.000 0.799 96 D N -0.189 120.297 120.400 0.143 0.000 2.626 96 D HA 0.023 4.663 4.640 -0.000 0.000 0.274 96 D C 1.812 178.165 176.300 0.088 0.000 1.045 96 D CA 0.814 54.865 54.000 0.085 0.000 0.925 96 D CB 0.087 40.901 40.800 0.024 0.000 1.260 96 D HN 0.644 nan 8.370 nan 0.000 0.490 97 E N -0.426 119.833 120.200 0.098 0.000 2.465 97 E HA -0.016 4.334 4.350 -0.000 0.000 0.191 97 E C 1.159 177.817 176.600 0.096 0.000 1.053 97 E CA -0.207 56.232 56.400 0.064 0.000 0.869 97 E CB 0.038 29.764 29.700 0.044 0.000 0.977 97 E HN 0.037 nan 8.360 nan 0.000 0.483 98 F N 0.668 120.638 119.950 0.033 0.000 2.269 98 F HA -0.007 4.520 4.527 0.000 0.000 0.301 98 F C 1.581 177.284 175.800 -0.163 0.000 1.082 98 F CA 1.969 59.972 58.000 0.005 0.000 1.360 98 F CB -0.072 38.957 39.000 0.049 0.000 1.041 98 F HN 0.157 nan 8.300 nan 0.000 0.512 99 G N -0.366 108.214 108.800 -0.366 0.000 2.175 99 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.244 99 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.244 99 G C -0.113 174.285 174.900 -0.836 0.000 0.982 99 G CA 0.228 44.956 45.100 -0.619 0.000 0.641 99 G HN 0.676 nan 8.290 nan 0.000 0.527 100 H N -0.829 118.051 119.070 -0.316 0.000 3.012 100 H HA 0.632 5.188 4.556 -0.000 0.000 0.367 100 H C -0.148 175.215 175.328 0.058 0.000 1.211 100 H CA -0.084 55.872 56.048 -0.153 0.000 1.139 100 H CB 1.526 31.117 29.762 -0.285 0.000 1.838 100 H HN 0.293 nan 8.280 nan 0.000 0.550 101 S N 1.937 117.759 115.700 0.204 0.000 2.488 101 S HA 0.204 4.674 4.470 -0.000 0.000 0.278 101 S C -0.021 174.683 174.600 0.173 0.000 1.259 101 S CA -0.589 57.702 58.200 0.151 0.000 1.061 101 S CB -0.389 62.869 63.200 0.097 0.000 0.910 101 S HN 0.427 nan 8.310 nan 0.000 0.491 102 I N 6.127 126.777 120.570 0.133 0.000 2.337 102 I HA 0.159 4.329 4.170 -0.000 0.000 0.291 102 I C 1.683 177.827 176.117 0.044 0.000 1.046 102 I CA -0.312 61.037 61.300 0.082 0.000 1.324 102 I CB 0.770 38.742 38.000 -0.045 0.000 1.409 102 I HN 0.782 nan 8.210 nan 0.000 0.494 103 N N 4.230 122.947 118.700 0.029 0.000 2.395 103 N HA -0.042 4.698 4.740 -0.000 0.000 0.175 103 N C 0.043 175.500 175.510 -0.089 0.000 1.029 103 N CA 0.847 53.861 53.050 -0.061 0.000 0.897 103 N CB 0.535 38.953 38.487 -0.114 0.000 0.991 103 N HN 0.667 nan 8.380 nan 0.000 0.441 104 D N -1.722 118.662 120.400 -0.025 0.000 2.764 104 D HA 0.164 4.804 4.640 -0.000 0.000 0.293 104 D C -1.691 174.643 176.300 0.057 0.000 1.287 104 D CA -0.379 53.590 54.000 -0.052 0.000 0.768 104 D CB 0.758 41.496 40.800 -0.104 0.000 1.288 104 D HN 0.063 nan 8.370 nan 0.000 0.426 105 Y N -1.263 119.074 120.300 0.062 0.000 2.625 105 Y HA 0.757 5.307 4.550 -0.000 0.000 0.338 105 Y C -1.418 174.570 175.900 0.147 0.000 1.123 105 Y CA -0.934 57.226 58.100 0.100 0.000 1.046 105 Y CB 1.514 40.019 38.460 0.075 0.000 1.299 105 Y HN 0.191 nan 8.280 nan 0.000 0.464 106 S N 1.819 117.810 115.700 0.485 0.000 2.603 106 S HA 0.680 5.150 4.470 -0.000 0.000 0.274 106 S C -1.668 173.301 174.600 0.615 0.000 1.168 106 S CA -0.603 57.876 58.200 0.464 0.000 0.963 106 S CB 0.458 63.867 63.200 0.348 0.000 1.078 106 S HN 0.707 nan 8.310 nan 0.000 0.477 107 I N 3.428 124.240 120.570 0.403 0.000 2.392 107 I HA 0.336 4.506 4.170 -0.000 0.000 0.295 107 I C 0.725 176.680 176.117 -0.270 0.000 0.985 107 I CA -0.626 60.764 61.300 0.149 0.000 1.221 107 I CB 1.923 39.952 38.000 0.048 0.000 1.366 107 I HN 0.511 nan 8.210 nan 0.000 0.467 108 S N 7.227 122.454 115.700 -0.788 0.000 2.563 108 S HA 0.036 4.506 4.470 -0.000 0.000 0.284 108 S C -1.453 172.867 174.600 -0.467 0.000 1.331 108 S CA -0.801 56.635 58.200 -1.273 0.000 1.047 108 S CB 0.578 63.123 63.200 -1.092 0.000 0.859 108 S HN 0.502 nan 8.310 nan 0.000 0.514 109 P HA -0.010 nan 4.420 nan 0.000 0.213 109 P C -0.313 176.938 177.300 -0.083 0.000 1.170 109 P CA 1.025 64.054 63.100 -0.119 0.000 0.893 109 P CB -0.034 31.625 31.700 -0.067 0.000 0.784 110 D N -0.130 120.216 120.400 -0.090 0.000 2.422 110 D HA 0.234 4.874 4.640 -0.000 0.000 0.227 110 D C 1.276 177.570 176.300 -0.011 0.000 1.190 110 D CA 0.001 53.978 54.000 -0.039 0.000 0.905 110 D CB -0.485 40.280 40.800 -0.058 0.000 1.034 110 D HN 0.007 nan 8.370 nan 0.000 0.507 111 G N 2.149 110.956 108.800 0.010 0.000 3.241 111 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.199 111 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.199 111 G C 0.883 175.815 174.900 0.053 0.000 1.210 111 G CA 0.295 45.428 45.100 0.055 0.000 1.182 111 G HN 0.472 nan 8.290 nan 0.000 0.508 112 Q N -1.277 118.527 119.800 0.008 0.000 2.425 112 Q HA 0.248 4.588 4.340 -0.000 0.000 0.204 112 Q C -0.273 175.387 176.000 -0.567 0.000 0.933 112 Q CA 0.323 55.987 55.803 -0.232 0.000 0.939 112 Q CB 0.569 29.169 28.738 -0.229 0.000 1.044 112 Q HN 0.572 nan 8.270 nan 0.000 0.513 113 F N -0.423 119.501 119.950 -0.045 0.000 2.664 113 F HA 0.555 5.082 4.527 -0.000 0.000 0.317 113 F C -0.755 175.115 175.800 0.115 0.000 1.108 113 F CA -1.257 56.768 58.000 0.041 0.000 0.957 113 F CB 1.859 40.902 39.000 0.071 0.000 1.365 113 F HN -0.225 nan 8.300 nan 0.000 0.475 114 I N 2.286 123.187 120.570 0.553 0.000 2.607 114 I HA 0.397 4.567 4.170 -0.000 0.000 0.290 114 I C -1.785 174.673 176.117 0.568 0.000 1.129 114 I CA -0.658 60.961 61.300 0.532 0.000 1.042 114 I CB 1.721 39.968 38.000 0.411 0.000 1.242 114 I HN 0.475 nan 8.210 nan 0.000 0.421 115 L N 7.839 129.428 121.223 0.610 0.000 2.281 115 L HA 0.400 4.740 4.340 -0.000 0.000 0.285 115 L C -0.789 176.257 176.870 0.292 0.000 1.074 115 L CA -0.583 54.485 54.840 0.380 0.000 0.817 115 L CB 0.998 43.189 42.059 0.220 0.000 1.168 115 L HN 0.510 nan 8.230 nan 0.000 0.434 116 L N 5.076 126.410 121.223 0.184 0.000 2.262 116 L HA 0.378 4.718 4.340 -0.000 0.000 0.288 116 L C 0.159 177.127 176.870 0.164 0.000 1.035 116 L CA -0.257 54.607 54.840 0.040 0.000 0.820 116 L CB 1.302 43.146 42.059 -0.358 0.000 1.204 116 L HN 0.595 nan 8.230 nan 0.000 0.424 117 E N 4.285 124.564 120.200 0.132 0.000 2.167 117 E HA 0.341 4.691 4.350 -0.000 0.000 0.284 117 E C -1.449 175.153 176.600 0.004 0.000 1.016 117 E CA -0.450 55.917 56.400 -0.055 0.000 0.817 117 E CB 0.936 30.672 29.700 0.059 0.000 1.080 117 E HN 0.457 nan 8.360 nan 0.000 0.397 118 Y N 1.834 121.970 120.300 -0.273 0.000 2.705 118 Y HA 0.426 4.976 4.550 -0.000 0.000 0.332 118 Y C 0.093 175.895 175.900 -0.163 0.000 1.157 118 Y CA -1.554 56.462 58.100 -0.140 0.000 1.091 118 Y CB 0.407 38.846 38.460 -0.036 0.000 1.301 118 Y HN 0.434 nan 8.280 nan 0.000 0.488 119 N N -0.071 118.627 118.700 -0.004 0.000 2.710 119 N HA -0.304 4.436 4.740 -0.000 0.000 0.249 119 N C -1.011 174.457 175.510 -0.069 0.000 1.059 119 N CA 1.040 54.039 53.050 -0.084 0.000 0.720 119 N CB -1.462 36.877 38.487 -0.245 0.000 0.983 119 N HN 0.815 nan 8.380 nan 0.000 0.544 120 Y N 0.041 120.253 120.300 -0.147 0.000 2.650 120 Y HA 0.274 4.824 4.550 -0.000 0.000 0.331 120 Y C -0.075 175.772 175.900 -0.087 0.000 1.165 120 Y CA -0.096 57.922 58.100 -0.136 0.000 1.473 120 Y CB 0.616 38.958 38.460 -0.196 0.000 1.224 120 Y HN -0.013 nan 8.280 nan 0.000 0.533 121 V N 7.832 127.445 119.914 -0.502 0.000 2.531 121 V HA 0.293 4.413 4.120 -0.000 0.000 0.301 121 V C -0.359 175.357 176.094 -0.629 0.000 1.034 121 V CA -1.405 60.626 62.300 -0.449 0.000 0.865 121 V CB 1.498 33.189 31.823 -0.220 0.000 0.995 121 V HN 0.741 nan 8.190 nan 0.000 0.424 122 K N 3.458 123.522 120.400 -0.560 0.000 2.174 122 K HA 0.449 4.769 4.320 -0.000 0.000 0.275 122 K C 0.219 176.645 176.600 -0.291 0.000 1.015 122 K CA -0.249 55.805 56.287 -0.388 0.000 0.933 122 K CB 1.799 34.231 32.500 -0.113 0.000 1.025 122 K HN 0.820 nan 8.250 nan 0.000 0.463 123 Q N 2.880 122.483 119.800 -0.328 0.000 2.679 123 Q HA 0.191 4.531 4.340 -0.000 0.000 0.255 123 Q C -0.034 175.704 176.000 -0.437 0.000 1.053 123 Q CA -0.279 55.142 55.803 -0.636 0.000 0.620 123 Q CB 0.103 28.312 28.738 -0.882 0.000 3.775 123 Q HN 0.710 nan 8.270 nan 0.000 0.446 124 W N 0.038 121.316 121.300 -0.036 0.000 1.756 124 W HA 0.377 5.037 4.660 -0.000 0.000 0.638 124 W C 1.887 178.366 176.519 -0.066 0.000 1.472 124 W CA -0.713 56.623 57.345 -0.015 0.000 1.437 124 W CB -0.159 29.241 29.460 -0.101 0.000 3.368 124 W HN 0.239 nan 8.180 nan 0.000 0.771 125 R N -0.664 119.903 120.500 0.111 0.000 2.115 125 R HA -0.088 4.252 4.340 -0.000 0.000 0.226 125 R C 1.387 177.490 176.300 -0.329 0.000 1.100 125 R CA 1.758 57.752 56.100 -0.178 0.000 0.980 125 R CB -0.235 29.816 30.300 -0.416 0.000 0.875 125 R HN 0.561 nan 8.270 nan 0.000 0.445 126 H N -1.787 117.356 119.070 0.123 0.000 2.926 126 H HA 0.172 4.728 4.556 0.000 0.000 0.249 126 H C 0.269 175.689 175.328 0.154 0.000 0.963 126 H CA 0.169 56.316 56.048 0.166 0.000 1.158 126 H CB 0.626 30.462 29.762 0.123 0.000 1.445 126 H HN 0.075 nan 8.280 nan 0.000 0.452 127 S N 1.230 116.922 115.700 -0.013 0.000 2.576 127 S HA 0.340 4.810 4.470 -0.000 0.000 0.276 127 S C -0.549 173.925 174.600 -0.211 0.000 1.339 127 S CA -0.563 57.320 58.200 -0.528 0.000 1.039 127 S CB 0.439 62.863 63.200 -1.293 0.000 0.902 127 S HN 0.443 nan 8.310 nan 0.000 0.516 128 Y N -2.121 118.061 120.300 -0.197 0.000 2.677 128 Y HA 0.757 5.307 4.550 -0.000 0.000 0.334 128 Y C -0.709 175.169 175.900 -0.036 0.000 1.196 128 Y CA -1.128 56.843 58.100 -0.214 0.000 1.059 128 Y CB 0.971 39.254 38.460 -0.295 0.000 1.315 128 Y HN 0.629 nan 8.280 nan 0.000 0.455 129 T N 1.055 115.646 114.554 0.061 0.000 2.924 129 T HA 0.931 5.281 4.350 -0.000 0.000 0.291 129 T C -1.160 173.578 174.700 0.064 0.000 1.045 129 T CA 0.119 62.257 62.100 0.064 0.000 1.015 129 T CB 1.210 70.062 68.868 -0.026 0.000 1.103 129 T HN 1.465 nan 8.240 nan 0.000 0.496 130 A N 1.612 124.446 122.820 0.024 0.000 2.586 130 A HA 0.694 5.014 4.320 -0.000 0.000 0.291 130 A C -0.824 176.500 177.584 -0.433 0.000 1.062 130 A CA -0.725 51.184 52.037 -0.214 0.000 0.666 130 A CB 1.063 19.913 19.000 -0.249 0.000 1.281 130 A HN 0.688 nan 8.150 nan 0.000 0.421 131 S N -0.544 114.688 115.700 -0.779 0.000 2.654 131 S HA 0.801 5.271 4.470 -0.000 0.000 0.283 131 S C -1.384 172.516 174.600 -1.167 0.000 1.180 131 S CA -0.005 57.640 58.200 -0.925 0.000 1.021 131 S CB 0.542 62.897 63.200 -1.407 0.000 1.018 131 S HN 0.463 nan 8.310 nan 0.000 0.532 132 Y N 0.101 120.196 120.300 -0.342 0.000 2.470 132 Y HA 0.425 4.975 4.550 0.000 0.000 0.341 132 Y C -0.175 175.818 175.900 0.154 0.000 1.021 132 Y CA -0.925 57.143 58.100 -0.052 0.000 1.025 132 Y CB 1.671 40.033 38.460 -0.163 0.000 1.266 132 Y HN 0.516 nan 8.280 nan 0.000 0.448 133 D N 2.090 122.728 120.400 0.397 0.000 2.414 133 D HA 0.616 5.256 4.640 -0.000 0.000 0.241 133 D C -0.845 175.568 176.300 0.188 0.000 1.008 133 D CA -0.315 53.849 54.000 0.274 0.000 1.001 133 D CB 2.435 43.406 40.800 0.285 0.000 1.277 133 D HN 0.391 nan 8.370 nan 0.000 0.538 134 I N 1.160 121.841 120.570 0.185 0.000 2.498 134 I HA 0.226 4.396 4.170 -0.000 0.000 0.290 134 I C -1.245 175.066 176.117 0.324 0.000 1.032 134 I CA -0.930 60.518 61.300 0.247 0.000 1.073 134 I CB 2.081 40.194 38.000 0.188 0.000 1.251 134 I HN 0.238 nan 8.210 nan 0.000 0.426 135 Y N 5.389 125.843 120.300 0.256 0.000 2.328 135 Y HA 0.310 4.860 4.550 -0.000 0.000 0.337 135 Y C -0.200 175.857 175.900 0.261 0.000 0.966 135 Y CA -0.513 57.735 58.100 0.247 0.000 1.136 135 Y CB 1.126 39.765 38.460 0.298 0.000 1.170 135 Y HN 0.471 nan 8.280 nan 0.000 0.470 136 D N 5.511 125.815 120.400 -0.160 0.000 2.312 136 D HA 0.093 4.733 4.640 -0.000 0.000 0.252 136 D C 0.412 176.418 176.300 -0.490 0.000 1.150 136 D CA 0.353 54.183 54.000 -0.283 0.000 0.870 136 D CB 1.295 41.965 40.800 -0.218 0.000 1.153 136 D HN 0.844 nan 8.370 nan 0.000 0.457 137 L N 3.633 124.639 121.223 -0.361 0.000 2.127 137 L HA 0.015 4.355 4.340 -0.000 0.000 0.203 137 L C 1.985 178.705 176.870 -0.250 0.000 1.080 137 L CA 0.353 55.065 54.840 -0.213 0.000 0.768 137 L CB -0.229 41.744 42.059 -0.144 0.000 0.924 137 L HN 0.471 nan 8.230 nan 0.000 0.444 138 N N 0.800 119.327 118.700 -0.288 0.000 2.666 138 N HA -0.065 4.675 4.740 -0.000 0.000 0.194 138 N C -0.430 174.967 175.510 -0.188 0.000 1.220 138 N CA 0.753 53.676 53.050 -0.211 0.000 0.928 138 N CB 0.164 38.534 38.487 -0.194 0.000 0.997 138 N HN 0.411 nan 8.380 nan 0.000 0.447 139 K N -0.410 119.851 120.400 -0.232 0.000 2.532 139 K HA 0.326 4.646 4.320 -0.000 0.000 0.265 139 K C -0.449 175.984 176.600 -0.278 0.000 0.948 139 K CA -0.695 55.468 56.287 -0.207 0.000 0.842 139 K CB 1.662 34.050 32.500 -0.187 0.000 1.392 139 K HN -0.166 nan 8.250 nan 0.000 0.436 140 R N 1.718 122.103 120.500 -0.191 0.000 4.464 140 R HA 0.078 4.418 4.340 -0.000 0.000 0.229 140 R C -0.424 175.750 176.300 -0.210 0.000 1.916 140 R CA 0.211 56.222 56.100 -0.148 0.000 1.601 140 R CB -0.016 30.261 30.300 -0.039 0.000 1.315 140 R HN 0.381 nan 8.270 nan 0.000 0.725 141 Q N 0.816 120.339 119.800 -0.462 0.000 2.347 141 Q HA 0.346 4.686 4.340 -0.000 0.000 0.271 141 Q C -0.881 174.954 176.000 -0.275 0.000 1.064 141 Q CA -0.792 54.858 55.803 -0.255 0.000 0.800 141 Q CB 2.832 31.486 28.738 -0.140 0.000 1.304 141 Q HN 0.194 nan 8.270 nan 0.000 0.438 142 L N 3.346 124.586 121.223 0.030 0.000 2.349 142 L HA 0.396 4.736 4.340 -0.000 0.000 0.275 142 L C 0.422 177.350 176.870 0.096 0.000 1.115 142 L CA -0.553 54.381 54.840 0.157 0.000 0.820 142 L CB 0.407 42.631 42.059 0.274 0.000 1.135 142 L HN 0.585 nan 8.230 nan 0.000 0.445 143 I N -0.332 120.305 120.570 0.111 0.000 2.575 143 I HA 0.139 4.309 4.170 -0.000 0.000 0.285 143 I C 0.556 176.718 176.117 0.075 0.000 1.085 143 I CA 0.190 61.539 61.300 0.081 0.000 1.403 143 I CB 1.271 39.320 38.000 0.081 0.000 1.409 143 I HN 0.527 nan 8.210 nan 0.000 0.557 144 T N 4.099 118.683 114.554 0.050 0.000 2.990 144 T HA 0.187 4.537 4.350 -0.000 0.000 0.250 144 T C 0.315 175.025 174.700 0.017 0.000 1.041 144 T CA 0.187 62.312 62.100 0.042 0.000 1.010 144 T CB -0.072 68.818 68.868 0.036 0.000 1.003 144 T HN 0.732 nan 8.240 nan 0.000 0.499 145 E N 1.374 121.578 120.200 0.006 0.000 2.232 145 E HA 0.351 4.701 4.350 -0.000 0.000 0.264 145 E C -0.461 176.120 176.600 -0.032 0.000 0.973 145 E CA -0.811 55.581 56.400 -0.014 0.000 0.849 145 E CB 0.663 30.356 29.700 -0.012 0.000 1.198 145 E HN -0.033 nan 8.360 nan 0.000 0.407 146 E N 0.983 121.151 120.200 -0.053 0.000 2.165 146 E HA -0.257 4.093 4.350 -0.000 0.000 0.203 146 E C -0.724 175.817 176.600 -0.098 0.000 1.335 146 E CA 0.858 57.211 56.400 -0.080 0.000 0.708 146 E CB -1.399 28.260 29.700 -0.069 0.000 1.105 146 E HN 0.411 nan 8.360 nan 0.000 0.346 147 R N -0.089 120.346 120.500 -0.108 0.000 2.539 147 R HA 0.361 4.701 4.340 -0.000 0.000 0.275 147 R C 1.171 177.322 176.300 -0.248 0.000 1.077 147 R CA -0.630 55.395 56.100 -0.125 0.000 1.097 147 R CB 0.697 30.953 30.300 -0.074 0.000 1.018 147 R HN 0.166 nan 8.270 nan 0.000 0.483 148 I N 4.809 125.192 120.570 -0.313 0.000 2.775 148 I HA -0.020 4.150 4.170 -0.000 0.000 0.290 148 I C -1.638 174.175 176.117 -0.506 0.000 1.203 148 I CA -1.332 59.608 61.300 -0.599 0.000 1.433 148 I CB 0.442 38.105 38.000 -0.563 0.000 1.354 148 I HN 0.317 nan 8.210 nan 0.000 0.579 149 P HA 0.108 nan 4.420 nan 0.000 0.272 149 P C -0.744 176.383 177.300 -0.288 0.000 1.240 149 P CA -0.419 62.338 63.100 -0.572 0.000 0.791 149 P CB 0.391 31.396 31.700 -1.158 0.000 0.978 150 N N 1.488 120.094 118.700 -0.156 0.000 2.326 150 N HA -0.000 4.740 4.740 -0.000 0.000 0.239 150 N C 0.660 176.222 175.510 0.085 0.000 1.301 150 N CA 0.212 53.213 53.050 -0.082 0.000 0.909 150 N CB -0.540 37.910 38.487 -0.060 0.000 1.156 150 N HN 0.405 nan 8.380 nan 0.000 0.462 151 N N -1.321 117.404 118.700 0.041 0.000 2.693 151 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 151 N C -0.792 174.840 175.510 0.204 0.000 1.119 151 N CA 0.817 53.925 53.050 0.096 0.000 0.717 151 N CB -1.655 36.892 38.487 0.101 0.000 1.071 151 N HN 0.471 nan 8.380 nan 0.000 0.555 152 T N 0.694 115.378 114.554 0.217 0.000 2.901 152 T HA 0.086 4.436 4.350 -0.000 0.000 0.301 152 T C 1.714 176.558 174.700 0.240 0.000 1.012 152 T CA 0.076 62.343 62.100 0.278 0.000 1.135 152 T CB 1.241 70.210 68.868 0.168 0.000 0.936 152 T HN 0.174 nan 8.240 nan 0.000 0.539 153 Q N 1.389 121.330 119.800 0.235 0.000 2.250 153 Q HA 0.151 4.491 4.340 -0.000 0.000 0.200 153 Q C 0.120 176.274 176.000 0.256 0.000 0.941 153 Q CA 0.506 56.455 55.803 0.243 0.000 0.872 153 Q CB 0.655 29.497 28.738 0.173 0.000 0.965 153 Q HN 0.693 nan 8.270 nan 0.000 0.480 154 W N -0.387 120.877 121.300 -0.060 0.000 3.275 154 W HA 0.448 5.108 4.660 -0.000 0.000 0.306 154 W C -2.265 174.168 176.519 -0.144 0.000 1.259 154 W CA -0.597 56.662 57.345 -0.145 0.000 1.194 154 W CB 1.115 30.422 29.460 -0.255 0.000 1.375 154 W HN -0.363 nan 8.180 nan 0.000 0.564 155 V N 2.638 121.837 119.914 -1.191 0.000 2.971 155 V HA 0.753 4.873 4.120 -0.000 0.000 0.309 155 V C -0.580 174.963 176.094 -0.917 0.000 1.130 155 V CA -0.653 61.124 62.300 -0.871 0.000 0.964 155 V CB 2.191 33.404 31.823 -1.015 0.000 1.029 155 V HN 0.498 nan 8.190 nan 0.000 0.427 156 T N 0.863 115.191 114.554 -0.378 0.000 3.193 156 T HA 0.380 4.730 4.350 -0.000 0.000 0.332 156 T C -1.046 173.703 174.700 0.082 0.000 1.208 156 T CA -0.594 61.457 62.100 -0.081 0.000 1.080 156 T CB 0.968 70.032 68.868 0.326 0.000 1.180 156 T HN 0.557 nan 8.240 nan 0.000 0.469 157 W N 2.635 123.990 121.300 0.091 0.000 2.137 157 W HA 0.391 5.051 4.660 0.000 0.000 0.344 157 W C 1.230 177.636 176.519 -0.188 0.000 1.286 157 W CA -0.523 56.819 57.345 -0.005 0.000 1.240 157 W CB 0.500 29.957 29.460 -0.005 0.000 1.141 157 W HN 0.756 nan 8.180 nan 0.000 0.579 158 S N 1.972 117.425 115.700 -0.411 0.000 2.589 158 S HA 0.105 4.575 4.470 -0.000 0.000 0.265 158 S C -1.798 172.609 174.600 -0.323 0.000 1.342 158 S CA -0.993 56.539 58.200 -1.113 0.000 1.005 158 S CB 0.567 62.936 63.200 -1.385 0.000 0.909 158 S HN 0.296 nan 8.310 nan 0.000 0.555 159 P HA 0.036 nan 4.420 nan 0.000 0.220 159 P C 0.281 177.548 177.300 -0.056 0.000 1.148 159 P CA 0.745 63.825 63.100 -0.034 0.000 0.803 159 P CB -0.191 31.521 31.700 0.021 0.000 0.782 160 V N -6.180 113.658 119.914 -0.127 0.000 2.962 160 V HA 0.898 5.018 4.120 -0.000 0.000 0.313 160 V C 0.303 176.295 176.094 -0.170 0.000 1.099 160 V CA -0.289 61.945 62.300 -0.110 0.000 0.971 160 V CB 1.070 32.842 31.823 -0.086 0.000 1.028 160 V HN 0.440 nan 8.190 nan 0.000 0.430 161 G N 2.832 111.531 108.800 -0.168 0.000 2.512 161 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.240 161 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.240 161 G C 0.158 174.928 174.900 -0.217 0.000 1.246 161 G CA 0.577 45.515 45.100 -0.269 0.000 0.919 161 G HN 2.433 nan 8.290 nan 0.000 0.577 162 H N -0.705 118.341 119.070 -0.040 0.000 2.777 162 H HA 0.408 4.964 4.556 0.000 0.000 0.244 162 H C 0.403 175.853 175.328 0.203 0.000 1.185 162 H CA -0.255 55.798 56.048 0.007 0.000 0.945 162 H CB 0.158 29.919 29.762 -0.002 0.000 1.994 162 H HN 0.444 nan 8.280 nan 0.000 0.638 163 K N 1.909 122.409 120.400 0.168 0.000 2.414 163 K HA 0.295 4.615 4.320 -0.000 0.000 0.272 163 K C -0.431 176.281 176.600 0.187 0.000 0.993 163 K CA -0.035 56.319 56.287 0.112 0.000 0.964 163 K CB 1.485 33.876 32.500 -0.182 0.000 0.925 163 K HN 0.189 nan 8.250 nan 0.000 0.487 164 L N 1.545 122.890 121.223 0.203 0.000 2.362 164 L HA 0.560 4.900 4.340 -0.000 0.000 0.271 164 L C -0.653 176.395 176.870 0.298 0.000 1.002 164 L CA -0.797 54.118 54.840 0.125 0.000 0.818 164 L CB 2.033 44.014 42.059 -0.130 0.000 1.298 164 L HN 0.676 nan 8.230 nan 0.000 0.420 165 A N 2.782 125.776 122.820 0.289 0.000 2.359 165 A HA 0.799 5.119 4.320 -0.000 0.000 0.303 165 A C -1.500 176.130 177.584 0.077 0.000 1.066 165 A CA -0.387 51.735 52.037 0.141 0.000 0.730 165 A CB 1.092 20.116 19.000 0.039 0.000 1.211 165 A HN 0.657 nan 8.150 nan 0.000 0.439 166 Y N -0.483 119.797 120.300 -0.034 0.000 2.644 166 Y HA 0.817 5.367 4.550 -0.000 0.000 0.338 166 Y C -1.264 174.673 175.900 0.062 0.000 1.119 166 Y CA -1.684 56.384 58.100 -0.053 0.000 1.060 166 Y CB 1.262 39.623 38.460 -0.165 0.000 1.294 166 Y HN 0.401 nan 8.280 nan 0.000 0.472 167 V N 1.760 121.874 119.914 0.334 0.000 2.483 167 V HA 0.347 4.467 4.120 -0.000 0.000 0.297 167 V C -1.634 174.706 176.094 0.410 0.000 1.027 167 V CA -0.619 61.838 62.300 0.262 0.000 0.855 167 V CB 1.354 33.230 31.823 0.089 0.000 0.995 167 V HN 0.865 nan 8.190 nan 0.000 0.424 168 W N 4.719 126.141 121.300 0.204 0.000 3.129 168 W HA 0.462 5.122 4.660 -0.000 0.000 0.333 168 W C 0.480 177.062 176.519 0.105 0.000 1.141 168 W CA -0.686 56.731 57.345 0.121 0.000 1.224 168 W CB 1.444 30.929 29.460 0.042 0.000 1.393 168 W HN 0.768 nan 8.180 nan 0.000 0.499 169 N N 4.736 123.065 118.700 -0.619 0.000 2.701 169 N HA -0.361 4.379 4.740 -0.000 0.000 0.250 169 N C -0.062 175.323 175.510 -0.208 0.000 1.046 169 N CA 1.119 53.851 53.050 -0.529 0.000 0.733 169 N CB -0.854 37.161 38.487 -0.787 0.000 0.973 169 N HN 0.686 nan 8.380 nan 0.000 0.541 170 N N -1.835 116.809 118.700 -0.094 0.000 2.878 170 N HA -0.151 4.589 4.740 -0.000 0.000 0.247 170 N C -1.419 174.057 175.510 -0.057 0.000 1.021 170 N CA 1.550 54.568 53.050 -0.053 0.000 0.873 170 N CB -0.543 37.875 38.487 -0.115 0.000 1.128 170 N HN 0.517 nan 8.380 nan 0.000 0.571 171 D N -0.167 120.220 120.400 -0.023 0.000 2.340 171 D HA 0.486 5.126 4.640 -0.000 0.000 0.240 171 D C 0.513 176.718 176.300 -0.159 0.000 1.001 171 D CA -0.457 53.454 54.000 -0.150 0.000 0.888 171 D CB 1.345 42.006 40.800 -0.231 0.000 1.310 171 D HN -0.013 nan 8.370 nan 0.000 0.474 172 I N 1.406 121.710 120.570 -0.444 0.000 2.440 172 I HA 0.236 4.406 4.170 -0.000 0.000 0.294 172 I C -0.681 174.998 176.117 -0.730 0.000 0.995 172 I CA -0.413 60.608 61.300 -0.464 0.000 1.306 172 I CB 0.591 38.232 38.000 -0.598 0.000 1.407 172 I HN 0.172 nan 8.210 nan 0.000 0.501 173 Y N 3.651 123.583 120.300 -0.613 0.000 2.477 173 Y HA 0.574 5.124 4.550 -0.000 0.000 0.347 173 Y C -0.360 175.187 175.900 -0.588 0.000 0.981 173 Y CA -0.824 56.829 58.100 -0.744 0.000 1.033 173 Y CB 2.145 39.779 38.460 -1.376 0.000 1.245 173 Y HN 0.114 nan 8.280 nan 0.000 0.455 174 V N 3.007 122.833 119.914 -0.147 0.000 2.604 174 V HA 0.483 4.603 4.120 -0.000 0.000 0.305 174 V C -0.798 175.396 176.094 0.167 0.000 1.043 174 V CA -1.319 61.001 62.300 0.034 0.000 0.888 174 V CB 2.058 33.932 31.823 0.085 0.000 0.995 174 V HN 0.613 nan 8.190 nan 0.000 0.429 175 K N 3.672 124.189 120.400 0.195 0.000 2.323 175 K HA 0.523 4.843 4.320 -0.000 0.000 0.259 175 K C 0.192 176.919 176.600 0.211 0.000 0.947 175 K CA -0.739 55.659 56.287 0.184 0.000 0.819 175 K CB 1.871 34.436 32.500 0.107 0.000 1.109 175 K HN 0.424 nan 8.250 nan 0.000 0.429 176 I N 1.181 121.892 120.570 0.235 0.000 2.400 176 I HA 0.010 4.180 4.170 -0.000 0.000 0.248 176 I C 0.398 176.625 176.117 0.183 0.000 1.109 176 I CA 1.319 62.743 61.300 0.208 0.000 1.425 176 I CB -0.074 38.057 38.000 0.218 0.000 1.094 176 I HN 0.570 nan 8.210 nan 0.000 0.425 177 E N -0.160 120.104 120.200 0.107 0.000 2.288 177 E HA 0.287 4.637 4.350 -0.000 0.000 0.268 177 E C -1.850 174.673 176.600 -0.127 0.000 0.885 177 E CA -1.974 54.411 56.400 -0.025 0.000 0.767 177 E CB 1.883 31.586 29.700 0.005 0.000 1.220 177 E HN -0.171 nan 8.360 nan 0.000 0.427 178 P HA -0.169 nan 4.420 nan 0.000 0.216 178 P C 0.654 177.872 177.300 -0.136 0.000 1.150 178 P CA 1.449 64.361 63.100 -0.313 0.000 0.843 178 P CB 0.261 31.545 31.700 -0.693 0.000 0.787 179 N N -1.715 116.934 118.700 -0.085 0.000 2.268 179 N HA 0.023 4.763 4.740 -0.000 0.000 0.204 179 N C -0.064 175.429 175.510 -0.029 0.000 1.124 179 N CA 0.317 53.348 53.050 -0.031 0.000 0.838 179 N CB -0.325 38.165 38.487 0.006 0.000 0.994 179 N HN 0.042 nan 8.380 nan 0.000 0.489 180 L N 0.603 121.805 121.223 -0.034 0.000 2.334 180 L HA 0.626 4.966 4.340 -0.000 0.000 0.270 180 L C -2.155 174.672 176.870 -0.072 0.000 1.018 180 L CA -2.199 52.619 54.840 -0.037 0.000 0.811 180 L CB 1.188 43.242 42.059 -0.009 0.000 1.271 180 L HN -0.153 nan 8.230 nan 0.000 0.443 181 P HA -0.016 nan 4.420 nan 0.000 0.267 181 P C -0.502 176.655 177.300 -0.238 0.000 1.195 181 P CA 0.146 63.147 63.100 -0.166 0.000 0.773 181 P CB 0.392 31.974 31.700 -0.198 0.000 0.837 182 S N 1.539 117.136 115.700 -0.172 0.000 2.646 182 S HA 0.463 4.933 4.470 -0.000 0.000 0.276 182 S C -0.903 173.548 174.600 -0.248 0.000 1.222 182 S CA -0.479 57.649 58.200 -0.119 0.000 1.014 182 S CB 0.311 63.543 63.200 0.053 0.000 0.991 182 S HN 0.238 nan 8.310 nan 0.000 0.533 183 Y N 0.388 120.693 120.300 0.009 0.000 2.323 183 Y HA 0.480 5.030 4.550 0.000 0.000 0.331 183 Y C 0.835 176.649 175.900 -0.143 0.000 1.092 183 Y CA -0.794 57.291 58.100 -0.025 0.000 1.150 183 Y CB 1.061 39.510 38.460 -0.018 0.000 1.200 183 Y HN 0.692 nan 8.280 nan 0.000 0.472 184 R N 3.684 124.122 120.500 -0.104 0.000 2.216 184 R HA 0.266 4.606 4.340 -0.000 0.000 0.332 184 R C 0.160 176.195 176.300 -0.443 0.000 1.056 184 R CA -0.103 55.657 56.100 -0.567 0.000 0.901 184 R CB 0.176 29.973 30.300 -0.838 0.000 1.039 184 R HN 0.772 nan 8.270 nan 0.000 0.456 185 I N 2.277 122.520 120.570 -0.545 0.000 2.585 185 I HA -0.028 4.142 4.170 -0.000 0.000 0.254 185 I C 1.077 176.979 176.117 -0.357 0.000 1.129 185 I CA 0.911 61.996 61.300 -0.358 0.000 1.455 185 I CB -0.763 36.998 38.000 -0.399 0.000 1.111 185 I HN 0.635 nan 8.210 nan 0.000 0.433 186 T N -4.107 110.108 114.554 -0.564 0.000 2.916 186 T HA 0.429 4.779 4.350 -0.000 0.000 0.292 186 T C -0.593 173.800 174.700 -0.510 0.000 1.055 186 T CA -0.538 61.337 62.100 -0.374 0.000 1.009 186 T CB 2.120 70.760 68.868 -0.380 0.000 1.118 186 T HN 0.174 nan 8.240 nan 0.000 0.497 187 W N -0.363 120.834 121.300 -0.173 0.000 2.324 187 W HA 0.210 4.870 4.660 -0.000 0.000 0.316 187 W C 2.025 178.498 176.519 -0.078 0.000 0.927 187 W CA 0.061 57.340 57.345 -0.109 0.000 1.438 187 W CB 0.243 29.655 29.460 -0.079 0.000 1.085 187 W HN 0.899 nan 8.180 nan 0.000 0.532 188 T N -2.129 112.485 114.554 0.100 0.000 3.129 188 T HA 0.242 4.592 4.350 -0.000 0.000 0.251 188 T C 1.245 175.953 174.700 0.014 0.000 1.117 188 T CA 0.328 62.464 62.100 0.061 0.000 1.034 188 T CB -0.300 68.597 68.868 0.048 0.000 0.968 188 T HN 0.014 nan 8.240 nan 0.000 0.526 189 G N 1.175 109.958 108.800 -0.028 0.000 2.353 189 G HA2 0.374 4.334 3.960 -0.000 0.000 0.239 189 G HA3 0.374 4.334 3.960 -0.000 0.000 0.239 189 G C -0.624 174.232 174.900 -0.073 0.000 1.295 189 G CA -0.472 44.589 45.100 -0.065 0.000 0.884 189 G HN 0.563 nan 8.290 nan 0.000 0.537 190 K N 1.697 122.028 120.400 -0.116 0.000 2.565 190 K HA 0.197 4.517 4.320 -0.000 0.000 0.251 190 K C -0.216 176.265 176.600 -0.199 0.000 0.956 190 K CA -0.666 55.547 56.287 -0.123 0.000 0.809 190 K CB 1.769 34.226 32.500 -0.071 0.000 1.267 190 K HN 0.594 nan 8.250 nan 0.000 0.438 191 E N 2.463 122.562 120.200 -0.169 0.000 2.568 191 E HA -0.145 4.205 4.350 -0.000 0.000 0.262 191 E C -0.470 176.035 176.600 -0.158 0.000 0.961 191 E CA 1.055 57.355 56.400 -0.165 0.000 0.945 191 E CB 0.291 29.929 29.700 -0.103 0.000 0.924 191 E HN 0.639 nan 8.360 nan 0.000 0.467 192 D N 1.944 122.242 120.400 -0.170 0.000 3.068 192 D HA -0.256 4.384 4.640 -0.000 0.000 0.219 192 D C 0.468 176.753 176.300 -0.026 0.000 1.175 192 D CA 1.615 55.612 54.000 -0.004 0.000 0.942 192 D CB -0.721 40.124 40.800 0.074 0.000 1.127 192 D HN 0.472 nan 8.370 nan 0.000 0.404 193 I N -1.375 119.065 120.570 -0.216 0.000 3.669 193 I HA 0.065 4.235 4.170 -0.000 0.000 0.255 193 I C 0.417 176.514 176.117 -0.034 0.000 1.144 193 I CA -0.160 61.114 61.300 -0.042 0.000 1.447 193 I CB 0.646 38.636 38.000 -0.018 0.000 1.622 193 I HN -0.180 nan 8.210 nan 0.000 0.435 194 I N 1.564 122.048 120.570 -0.144 0.000 2.378 194 I HA 0.263 4.433 4.170 -0.000 0.000 0.291 194 I C -1.349 174.695 176.117 -0.121 0.000 0.992 194 I CA -0.406 60.885 61.300 -0.016 0.000 1.154 194 I CB 0.873 38.885 38.000 0.019 0.000 1.315 194 I HN 0.071 nan 8.210 nan 0.000 0.448 195 Y N 4.839 125.244 120.300 0.175 0.000 2.328 195 Y HA 0.385 4.935 4.550 -0.000 0.000 0.333 195 Y C 0.351 176.341 175.900 0.151 0.000 0.958 195 Y CA -0.699 57.514 58.100 0.189 0.000 1.167 195 Y CB 1.123 39.777 38.460 0.324 0.000 1.151 195 Y HN 0.408 nan 8.280 nan 0.000 0.470 196 N N 2.394 121.190 118.700 0.160 0.000 2.476 196 N HA 0.343 5.083 4.740 -0.000 0.000 0.257 196 N C 0.776 176.260 175.510 -0.044 0.000 0.970 196 N CA 0.435 53.507 53.050 0.037 0.000 0.938 196 N CB 1.778 40.177 38.487 -0.146 0.000 1.144 196 N HN 0.989 nan 8.380 nan 0.000 0.500 197 G N 1.565 110.370 108.800 0.007 0.000 2.199 197 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.254 197 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.254 197 G C 0.151 174.929 174.900 -0.204 0.000 0.982 197 G CA 0.621 45.644 45.100 -0.127 0.000 0.632 197 G HN 0.626 nan 8.290 nan 0.000 0.529 198 I N -1.278 119.243 120.570 -0.082 0.000 3.002 198 I HA 0.855 5.025 4.170 -0.000 0.000 0.310 198 I C 0.418 176.554 176.117 0.032 0.000 1.087 198 I CA -0.652 60.493 61.300 -0.259 0.000 1.017 198 I CB 2.018 39.682 38.000 -0.559 0.000 1.226 198 I HN 0.162 nan 8.210 nan 0.000 0.443 199 T N -0.623 113.869 114.554 -0.103 0.000 2.918 199 T HA 0.415 4.765 4.350 -0.000 0.000 0.283 199 T C -0.304 174.181 174.700 -0.358 0.000 1.001 199 T CA -0.690 61.192 62.100 -0.364 0.000 1.041 199 T CB 1.435 70.194 68.868 -0.181 0.000 1.028 199 T HN 0.781 nan 8.240 nan 0.000 0.511 200 D N -0.084 119.886 120.400 -0.717 0.000 2.506 200 D HA 0.065 4.705 4.640 -0.000 0.000 0.272 200 D C 0.944 177.187 176.300 -0.094 0.000 1.214 200 D CA -1.178 52.420 54.000 -0.669 0.000 1.067 200 D CB 0.172 40.479 40.800 -0.823 0.000 1.117 200 D HN 0.698 nan 8.370 nan 0.000 0.578 201 W N 0.132 121.377 121.300 -0.091 0.000 2.317 201 W HA -0.249 4.411 4.660 -0.000 0.000 0.318 201 W C 2.105 178.532 176.519 -0.154 0.000 1.227 201 W CA 3.035 60.326 57.345 -0.089 0.000 1.269 201 W CB -0.335 29.025 29.460 -0.166 0.000 1.155 201 W HN 0.227 nan 8.180 nan 0.000 0.484 202 V N -1.763 118.284 119.914 0.221 0.000 2.427 202 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 202 V C 1.729 177.709 176.094 -0.190 0.000 1.051 202 V CA 1.754 64.064 62.300 0.016 0.000 1.048 202 V CB -1.738 30.043 31.823 -0.070 0.000 0.666 202 V HN 0.246 nan 8.190 nan 0.000 0.456 203 Y N 1.072 121.249 120.300 -0.205 0.000 2.314 203 Y HA -0.094 4.456 4.550 -0.000 0.000 0.293 203 Y C 2.804 178.632 175.900 -0.121 0.000 1.129 203 Y CA 1.878 59.857 58.100 -0.202 0.000 1.201 203 Y CB -0.136 38.126 38.460 -0.330 0.000 0.999 203 Y HN 0.331 nan 8.280 nan 0.000 0.541 204 E N 0.390 120.581 120.200 -0.015 0.000 2.051 204 E HA -0.294 4.056 4.350 -0.000 0.000 0.192 204 E C 1.917 178.499 176.600 -0.030 0.000 0.991 204 E CA 1.623 58.033 56.400 0.017 0.000 0.799 204 E CB 0.020 29.715 29.700 -0.009 0.000 0.748 204 E HN 0.386 nan 8.360 nan 0.000 0.449 205 E N -0.271 119.756 120.200 -0.289 0.000 2.170 205 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 205 E C 1.344 177.853 176.600 -0.152 0.000 0.981 205 E CA 1.076 57.283 56.400 -0.321 0.000 0.830 205 E CB 0.372 29.558 29.700 -0.858 0.000 0.775 205 E HN 0.224 nan 8.360 nan 0.000 0.470 206 E N -1.234 118.857 120.200 -0.182 0.000 2.500 206 E HA 0.126 4.476 4.350 -0.000 0.000 0.217 206 E C 1.530 177.997 176.600 -0.221 0.000 0.848 206 E CA 0.378 56.693 56.400 -0.142 0.000 1.217 206 E CB 1.049 30.648 29.700 -0.167 0.000 1.217 206 E HN 0.140 nan 8.360 nan 0.000 0.573 207 V N -0.135 119.583 119.914 -0.327 0.000 2.721 207 V HA 0.060 4.180 4.120 -0.000 0.000 0.236 207 V C 1.536 177.388 176.094 -0.403 0.000 1.116 207 V CA 0.895 62.901 62.300 -0.489 0.000 1.148 207 V CB -0.230 31.116 31.823 -0.796 0.000 0.886 207 V HN 0.017 nan 8.190 nan 0.000 0.490 208 F N 0.585 120.555 119.950 0.034 0.000 2.656 208 F HA 0.268 4.795 4.527 -0.000 0.000 0.291 208 F C 1.560 177.327 175.800 -0.054 0.000 1.122 208 F CA 0.324 58.351 58.000 0.045 0.000 1.427 208 F CB -0.318 38.744 39.000 0.103 0.000 1.125 208 F HN 0.093 nan 8.300 nan 0.000 0.583 209 S N 0.209 115.926 115.700 0.028 0.000 3.682 209 S HA 0.051 4.521 4.470 -0.000 0.000 0.354 209 S C 0.002 174.181 174.600 -0.701 0.000 1.034 209 S CA 0.332 58.399 58.200 -0.223 0.000 1.084 209 S CB -1.963 61.176 63.200 -0.102 0.000 0.903 209 S HN 0.707 nan 8.310 nan 0.000 0.470 210 A N -0.470 122.147 122.820 -0.338 0.000 2.608 210 A HA 0.709 5.029 4.320 -0.000 0.000 0.292 210 A C -0.337 177.226 177.584 -0.035 0.000 1.066 210 A CA -0.486 51.393 52.037 -0.264 0.000 0.676 210 A CB 0.325 19.193 19.000 -0.219 0.000 1.277 210 A HN 0.430 nan 8.150 nan 0.000 0.413 211 Y N 1.251 121.410 120.300 -0.235 0.000 2.448 211 Y HA 0.233 4.783 4.550 -0.000 0.000 0.289 211 Y C 1.519 177.148 175.900 -0.451 0.000 1.114 211 Y CA 0.774 58.742 58.100 -0.220 0.000 1.235 211 Y CB -0.043 38.329 38.460 -0.146 0.000 1.045 211 Y HN 0.712 nan 8.280 nan 0.000 0.554 212 S N 0.731 115.949 115.700 -0.802 0.000 2.560 212 S HA 0.439 4.909 4.470 -0.000 0.000 0.284 212 S C 0.233 174.311 174.600 -0.869 0.000 1.327 212 S CA 0.244 57.698 58.200 -1.243 0.000 1.055 212 S CB 0.438 62.679 63.200 -1.598 0.000 0.868 212 S HN 0.451 nan 8.310 nan 0.000 0.506 213 A N 4.720 127.018 122.820 -0.872 0.000 3.292 213 A HA 0.548 4.868 4.320 -0.000 0.000 0.231 213 A C -1.143 175.790 177.584 -1.084 0.000 0.952 213 A CA -0.412 51.068 52.037 -0.929 0.000 1.044 213 A CB 0.015 18.870 19.000 -0.243 0.000 1.236 213 A HN 0.577 nan 8.150 nan 0.000 0.525 214 L N 0.354 120.813 121.223 -1.273 0.000 2.386 214 L HA 0.737 5.077 4.340 -0.000 0.000 0.271 214 L C -1.253 175.091 176.870 -0.877 0.000 0.993 214 L CA -0.647 53.722 54.840 -0.784 0.000 0.819 214 L CB 1.404 43.218 42.059 -0.410 0.000 1.294 214 L HN 0.456 nan 8.230 nan 0.000 0.414 215 W N 3.022 124.348 121.300 0.043 0.000 2.728 215 W HA 0.205 4.865 4.660 0.000 0.000 0.324 215 W C -0.971 175.731 176.519 0.306 0.000 1.012 215 W CA -1.077 56.407 57.345 0.232 0.000 1.279 215 W CB 1.149 30.808 29.460 0.332 0.000 1.289 215 W HN 0.488 nan 8.180 nan 0.000 0.418 216 W N 1.435 122.929 121.300 0.324 0.000 2.161 216 W HA 0.283 4.943 4.660 -0.000 0.000 0.344 216 W C 1.073 177.415 176.519 -0.295 0.000 1.262 216 W CA 0.458 57.861 57.345 0.096 0.000 1.270 216 W CB 0.670 30.166 29.460 0.059 0.000 1.126 216 W HN 0.014 nan 8.180 nan 0.000 0.598 217 S N 1.723 117.260 115.700 -0.272 0.000 2.614 217 S HA 0.093 4.563 4.470 -0.000 0.000 0.265 217 S C -1.455 172.951 174.600 -0.322 0.000 1.303 217 S CA -0.940 56.704 58.200 -0.928 0.000 1.000 217 S CB 0.852 63.670 63.200 -0.636 0.000 0.935 217 S HN 0.231 nan 8.310 nan 0.000 0.551 218 P HA -0.010 nan 4.420 nan 0.000 0.219 218 P C 0.944 178.207 177.300 -0.060 0.000 1.150 218 P CA 0.730 63.793 63.100 -0.062 0.000 0.814 218 P CB 0.112 31.821 31.700 0.014 0.000 0.787 219 N N -0.865 117.792 118.700 -0.071 0.000 2.223 219 N HA -0.076 4.664 4.740 -0.000 0.000 0.185 219 N C 1.542 176.989 175.510 -0.105 0.000 1.016 219 N CA 1.848 54.858 53.050 -0.067 0.000 0.863 219 N CB -0.718 37.733 38.487 -0.059 0.000 0.983 219 N HN 0.178 nan 8.380 nan 0.000 0.429 220 G N -1.562 107.182 108.800 -0.093 0.000 2.175 220 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.244 220 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.244 220 G C 1.121 176.042 174.900 0.036 0.000 0.982 220 G CA 0.972 46.007 45.100 -0.109 0.000 0.641 220 G HN 0.368 nan 8.290 nan 0.000 0.527 221 T N 0.217 114.734 114.554 -0.060 0.000 2.668 221 T HA 0.197 4.547 4.350 -0.000 0.000 0.262 221 T C 0.863 175.448 174.700 -0.193 0.000 1.045 221 T CA 1.210 63.173 62.100 -0.227 0.000 1.152 221 T CB -0.093 68.484 68.868 -0.486 0.000 0.864 221 T HN 0.245 nan 8.240 nan 0.000 0.419 222 F N 0.951 120.947 119.950 0.077 0.000 2.394 222 F HA 0.489 5.016 4.527 -0.000 0.000 0.340 222 F C 0.079 175.957 175.800 0.130 0.000 1.105 222 F CA -1.208 56.864 58.000 0.121 0.000 1.124 222 F CB 0.707 39.814 39.000 0.178 0.000 1.145 222 F HN -0.004 nan 8.300 nan 0.000 0.505 223 L N 3.768 125.136 121.223 0.242 0.000 2.294 223 L HA 0.680 5.020 4.340 -0.000 0.000 0.283 223 L C -0.569 176.384 176.870 0.137 0.000 1.015 223 L CA -0.527 54.279 54.840 -0.057 0.000 0.831 223 L CB 0.725 42.561 42.059 -0.373 0.000 1.217 223 L HN 0.770 nan 8.230 nan 0.000 0.420 224 A N 5.192 128.165 122.820 0.255 0.000 2.306 224 A HA 0.698 5.018 4.320 -0.000 0.000 0.314 224 A C -1.328 176.380 177.584 0.207 0.000 1.164 224 A CA -0.325 51.796 52.037 0.140 0.000 0.822 224 A CB 0.883 20.042 19.000 0.266 0.000 1.130 224 A HN 0.721 nan 8.150 nan 0.000 0.496 225 Y N -1.186 119.001 120.300 -0.188 0.000 2.552 225 Y HA 0.741 5.291 4.550 0.000 0.000 0.337 225 Y C -0.329 175.472 175.900 -0.165 0.000 1.094 225 Y CA -0.930 57.112 58.100 -0.097 0.000 1.028 225 Y CB 0.894 39.249 38.460 -0.175 0.000 1.321 225 Y HN 0.893 nan 8.280 nan 0.000 0.456 226 A N 2.978 125.886 122.820 0.147 0.000 2.312 226 A HA 0.654 4.974 4.320 -0.000 0.000 0.328 226 A C -0.971 176.501 177.584 -0.187 0.000 1.158 226 A CA -0.785 51.201 52.037 -0.085 0.000 0.821 226 A CB 1.553 20.487 19.000 -0.109 0.000 1.170 226 A HN 0.844 nan 8.150 nan 0.000 0.490 227 Q N 0.882 120.495 119.800 -0.312 0.000 2.353 227 Q HA 0.654 4.994 4.340 -0.000 0.000 0.268 227 Q C -2.081 173.651 176.000 -0.446 0.000 1.045 227 Q CA -0.417 55.297 55.803 -0.147 0.000 0.811 227 Q CB 1.192 30.072 28.738 0.237 0.000 1.305 227 Q HN 0.600 nan 8.270 nan 0.000 0.447 228 F N 2.167 122.245 119.950 0.213 0.000 2.520 228 F HA 0.439 4.966 4.527 -0.000 0.000 0.322 228 F C 0.165 176.145 175.800 0.300 0.000 1.103 228 F CA -0.973 57.141 58.000 0.189 0.000 0.926 228 F CB 1.652 40.690 39.000 0.063 0.000 1.154 228 F HN 0.433 nan 8.300 nan 0.000 0.453 229 N N 1.701 120.640 118.700 0.399 0.000 2.407 229 N HA 0.265 5.005 4.740 -0.000 0.000 0.277 229 N C -1.020 174.673 175.510 0.304 0.000 0.995 229 N CA -0.326 52.911 53.050 0.311 0.000 0.903 229 N CB 1.449 40.060 38.487 0.208 0.000 1.218 229 N HN 0.638 nan 8.380 nan 0.000 0.487 230 D N 1.205 121.794 120.400 0.315 0.000 2.479 230 D HA 0.149 4.789 4.640 -0.000 0.000 0.218 230 D C 1.116 177.531 176.300 0.192 0.000 1.177 230 D CA 0.070 54.237 54.000 0.278 0.000 0.830 230 D CB 0.697 41.731 40.800 0.391 0.000 1.014 230 D HN 0.477 nan 8.370 nan 0.000 0.503 231 T N 0.511 115.157 114.554 0.153 0.000 2.620 231 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 231 T C 1.216 175.970 174.700 0.091 0.000 1.044 231 T CA 1.305 63.468 62.100 0.105 0.000 1.161 231 T CB -0.088 68.831 68.868 0.085 0.000 0.862 231 T HN 0.301 nan 8.240 nan 0.000 0.438 232 E N 0.756 121.009 120.200 0.089 0.000 2.394 232 E HA 0.205 4.555 4.350 -0.000 0.000 0.191 232 E C -0.648 175.997 176.600 0.076 0.000 1.044 232 E CA -0.197 56.245 56.400 0.070 0.000 0.939 232 E CB 0.421 30.154 29.700 0.055 0.000 1.089 232 E HN 0.236 nan 8.360 nan 0.000 0.456 233 V N 3.309 123.282 119.914 0.098 0.000 2.432 233 V HA 0.161 4.281 4.120 -0.000 0.000 0.275 233 V C -1.959 174.189 176.094 0.090 0.000 1.043 233 V CA -1.736 60.625 62.300 0.103 0.000 0.925 233 V CB 0.764 32.668 31.823 0.136 0.000 0.985 233 V HN 0.072 nan 8.190 nan 0.000 0.466 234 P HA 0.315 nan 4.420 nan 0.000 0.273 234 P C -0.940 176.396 177.300 0.059 0.000 1.250 234 P CA -0.326 62.809 63.100 0.058 0.000 0.793 234 P CB 0.541 32.273 31.700 0.052 0.000 1.011 235 L N 1.197 122.434 121.223 0.023 0.000 2.322 235 L HA 0.488 4.828 4.340 -0.000 0.000 0.281 235 L C 0.260 177.087 176.870 -0.073 0.000 1.014 235 L CA -0.786 54.051 54.840 -0.004 0.000 0.815 235 L CB 1.425 43.478 42.059 -0.010 0.000 1.247 235 L HN 0.324 nan 8.230 nan 0.000 0.421 236 I N 2.830 123.310 120.570 -0.149 0.000 2.428 236 I HA 0.312 4.482 4.170 -0.000 0.000 0.289 236 I C -0.479 175.505 176.117 -0.221 0.000 1.019 236 I CA 0.068 61.184 61.300 -0.306 0.000 1.351 236 I CB 1.204 38.756 38.000 -0.747 0.000 1.412 236 I HN 0.773 nan 8.210 nan 0.000 0.513 237 E N 7.298 127.391 120.200 -0.178 0.000 2.266 237 E HA 0.519 4.869 4.350 -0.000 0.000 0.268 237 E C -1.858 174.706 176.600 -0.059 0.000 0.879 237 E CA -0.552 55.750 56.400 -0.164 0.000 0.762 237 E CB 2.567 32.186 29.700 -0.134 0.000 1.199 237 E HN 0.557 nan 8.360 nan 0.000 0.422 238 Y N -2.152 118.065 120.300 -0.137 0.000 2.641 238 Y HA 0.474 5.024 4.550 -0.000 0.000 0.333 238 Y C -1.009 174.823 175.900 -0.114 0.000 1.174 238 Y CA -1.246 56.777 58.100 -0.128 0.000 1.057 238 Y CB 0.668 39.055 38.460 -0.122 0.000 1.322 238 Y HN 0.240 nan 8.280 nan 0.000 0.457 239 S N 2.012 117.704 115.700 -0.013 0.000 2.565 239 S HA 0.468 4.938 4.470 -0.000 0.000 0.274 239 S C -1.310 173.166 174.600 -0.206 0.000 1.309 239 S CA -0.367 57.679 58.200 -0.258 0.000 1.043 239 S CB 0.479 63.349 63.200 -0.550 0.000 0.939 239 S HN 0.536 nan 8.310 nan 0.000 0.504 240 F N 2.395 122.101 119.950 -0.406 0.000 2.477 240 F HA 0.436 4.963 4.527 -0.000 0.000 0.335 240 F C -0.115 175.463 175.800 -0.370 0.000 1.130 240 F CA -0.902 56.952 58.000 -0.242 0.000 0.948 240 F CB 0.756 39.722 39.000 -0.056 0.000 1.154 240 F HN 0.643 nan 8.300 nan 0.000 0.439 241 Y N 2.671 122.791 120.300 -0.299 0.000 2.314 241 Y HA 0.029 4.579 4.550 -0.000 0.000 0.294 241 Y C 1.632 177.497 175.900 -0.058 0.000 1.119 241 Y CA 0.798 58.811 58.100 -0.144 0.000 1.179 241 Y CB -0.699 37.659 38.460 -0.171 0.000 1.025 241 Y HN 0.701 nan 8.280 nan 0.000 0.541 242 S N -0.625 115.031 115.700 -0.073 0.000 3.513 242 S HA -0.246 4.224 4.470 -0.000 0.000 0.636 242 S C -0.562 174.100 174.600 0.103 0.000 2.452 242 S CA -0.196 58.098 58.200 0.158 0.000 2.644 242 S CB -1.246 62.180 63.200 0.376 0.000 0.331 242 S HN 0.400 nan 8.310 nan 0.000 1.787 243 D N 1.770 122.243 120.400 0.123 0.000 2.419 243 D HA 0.133 4.773 4.640 -0.000 0.000 0.236 243 D C 1.686 178.025 176.300 0.066 0.000 1.165 243 D CA 0.406 54.455 54.000 0.082 0.000 0.882 243 D CB 0.177 41.025 40.800 0.080 0.000 1.201 243 D HN 0.641 nan 8.370 nan 0.000 0.443 244 E N 0.360 120.586 120.200 0.044 0.000 2.169 244 E HA -0.251 4.099 4.350 -0.000 0.000 0.202 244 E C 1.940 178.561 176.600 0.034 0.000 1.016 244 E CA 1.702 58.120 56.400 0.030 0.000 0.817 244 E CB -0.051 29.660 29.700 0.020 0.000 0.736 244 E HN 0.480 nan 8.360 nan 0.000 0.462 245 S N 0.566 116.291 115.700 0.042 0.000 2.469 245 S HA -0.121 4.349 4.470 -0.000 0.000 0.238 245 S C 1.066 175.698 174.600 0.053 0.000 0.998 245 S CA 0.270 58.495 58.200 0.042 0.000 0.957 245 S CB -0.193 63.033 63.200 0.044 0.000 0.764 245 S HN 0.163 nan 8.310 nan 0.000 0.514 246 L N 2.213 123.477 121.223 0.067 0.000 2.385 246 L HA 0.159 4.499 4.340 -0.000 0.000 0.281 246 L C 1.600 178.514 176.870 0.073 0.000 1.106 246 L CA -0.025 54.866 54.840 0.085 0.000 0.856 246 L CB 0.937 43.061 42.059 0.107 0.000 1.186 246 L HN 0.457 nan 8.230 nan 0.000 0.453 247 Q N 3.939 123.792 119.800 0.089 0.000 2.046 247 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 247 Q C -0.547 175.406 176.000 -0.080 0.000 0.975 247 Q CA 1.437 57.255 55.803 0.025 0.000 0.836 247 Q CB 0.205 29.006 28.738 0.105 0.000 0.896 247 Q HN 0.560 nan 8.270 nan 0.000 0.428 248 Y N 0.571 120.885 120.300 0.022 0.000 2.341 248 Y HA 0.367 4.917 4.550 -0.000 0.000 0.337 248 Y C -2.004 173.904 175.900 0.014 0.000 1.014 248 Y CA -3.011 55.099 58.100 0.015 0.000 1.111 248 Y CB 1.154 39.615 38.460 0.001 0.000 1.194 248 Y HN 0.158 nan 8.280 nan 0.000 0.462 249 P HA 0.054 nan 4.420 nan 0.000 0.269 249 P C -0.627 176.680 177.300 0.011 0.000 1.215 249 P CA -0.462 62.651 63.100 0.021 0.000 0.780 249 P CB 0.754 32.405 31.700 -0.082 0.000 0.898 250 K N 0.918 121.308 120.400 -0.018 0.000 2.098 250 K HA 0.368 4.688 4.320 -0.000 0.000 0.258 250 K C -0.683 175.862 176.600 -0.091 0.000 0.973 250 K CA -0.343 55.929 56.287 -0.025 0.000 0.898 250 K CB 0.661 33.164 32.500 0.006 0.000 1.057 250 K HN 0.337 nan 8.250 nan 0.000 0.447 251 T N 2.657 117.148 114.554 -0.107 0.000 2.756 251 T HA 0.228 4.578 4.350 -0.000 0.000 0.290 251 T C -0.529 174.040 174.700 -0.218 0.000 0.985 251 T CA -0.615 61.387 62.100 -0.163 0.000 0.955 251 T CB 1.028 69.819 68.868 -0.128 0.000 0.930 251 T HN 0.258 nan 8.240 nan 0.000 0.451 252 V N 5.309 124.997 119.914 -0.376 0.000 2.530 252 V HA 0.419 4.539 4.120 -0.000 0.000 0.282 252 V C 0.486 176.317 176.094 -0.439 0.000 1.048 252 V CA -0.439 61.595 62.300 -0.443 0.000 0.997 252 V CB 0.747 32.131 31.823 -0.732 0.000 0.987 252 V HN 0.707 nan 8.190 nan 0.000 0.477 253 R N 3.308 123.680 120.500 -0.214 0.000 2.451 253 R HA 0.711 5.051 4.340 -0.000 0.000 0.307 253 R C -1.668 174.621 176.300 -0.017 0.000 0.965 253 R CA -0.492 55.527 56.100 -0.135 0.000 0.865 253 R CB 2.198 32.445 30.300 -0.087 0.000 1.174 253 R HN 0.547 nan 8.270 nan 0.000 0.455 254 V N 4.199 124.107 119.914 -0.010 0.000 2.531 254 V HA 0.368 4.488 4.120 -0.000 0.000 0.301 254 V C -2.359 173.775 176.094 0.067 0.000 1.034 254 V CA -2.515 59.838 62.300 0.088 0.000 0.865 254 V CB 2.131 33.984 31.823 0.051 0.000 0.995 254 V HN 0.616 nan 8.190 nan 0.000 0.424 255 P HA 0.163 nan 4.420 nan 0.000 0.266 255 P C -1.319 176.053 177.300 0.120 0.000 1.215 255 P CA 0.327 63.518 63.100 0.152 0.000 0.763 255 P CB -0.101 31.740 31.700 0.235 0.000 0.806 256 Y N 5.953 126.200 120.300 -0.089 0.000 2.287 256 Y HA 0.343 4.893 4.550 0.000 0.000 0.325 256 Y C -2.778 173.069 175.900 -0.089 0.000 1.139 256 Y CA -2.807 55.169 58.100 -0.206 0.000 1.167 256 Y CB 1.658 39.878 38.460 -0.401 0.000 1.158 256 Y HN 0.279 nan 8.280 nan 0.000 0.434 257 P HA 0.248 nan 4.420 nan 0.000 0.284 257 P C -0.607 176.745 177.300 0.088 0.000 1.343 257 P CA -0.070 63.066 63.100 0.060 0.000 0.826 257 P CB 0.873 32.595 31.700 0.036 0.000 0.956 258 K N 1.961 122.497 120.400 0.227 0.000 2.132 258 K HA 0.442 4.762 4.320 -0.000 0.000 0.240 258 K C 0.632 177.337 176.600 0.176 0.000 1.036 258 K CA -0.603 55.838 56.287 0.258 0.000 0.888 258 K CB 0.355 33.006 32.500 0.252 0.000 1.071 258 K HN 0.402 nan 8.250 nan 0.000 0.502 259 A N 0.663 123.613 122.820 0.216 0.000 2.545 259 A HA 0.317 4.637 4.320 -0.000 0.000 0.253 259 A C 1.049 178.692 177.584 0.099 0.000 1.074 259 A CA 0.829 52.987 52.037 0.203 0.000 0.760 259 A CB -1.160 18.052 19.000 0.354 0.000 1.005 259 A HN 0.870 nan 8.150 nan 0.000 0.506 260 G N 0.855 109.699 108.800 0.073 0.000 2.143 260 G HA2 0.141 4.101 3.960 -0.000 0.000 0.249 260 G HA3 0.141 4.101 3.960 -0.000 0.000 0.249 260 G C 0.552 175.470 174.900 0.029 0.000 0.981 260 G CA 0.592 45.705 45.100 0.021 0.000 0.665 260 G HN 2.066 nan 8.290 nan 0.000 0.528 261 A N -0.767 122.085 122.820 0.055 0.000 2.240 261 A HA 0.816 5.136 4.320 -0.000 0.000 0.292 261 A C 0.778 178.389 177.584 0.045 0.000 1.121 261 A CA 0.134 52.203 52.037 0.052 0.000 0.851 261 A CB 0.838 19.882 19.000 0.074 0.000 1.167 261 A HN 1.134 nan 8.150 nan 0.000 0.503 262 V N 1.766 121.706 119.914 0.044 0.000 2.521 262 V HA 0.036 4.156 4.120 -0.000 0.000 0.286 262 V C 0.539 176.669 176.094 0.060 0.000 1.034 262 V CA 0.328 62.651 62.300 0.040 0.000 1.045 262 V CB -0.212 31.635 31.823 0.041 0.000 0.974 262 V HN 0.876 nan 8.190 nan 0.000 0.480 263 N N 5.844 124.577 118.700 0.056 0.000 2.476 263 N HA 0.497 5.237 4.740 -0.000 0.000 0.276 263 N C -2.440 173.145 175.510 0.124 0.000 1.204 263 N CA -1.298 51.810 53.050 0.095 0.000 0.974 263 N CB 1.312 39.850 38.487 0.085 0.000 1.204 263 N HN 0.461 nan 8.380 nan 0.000 0.543 264 P HA 0.073 nan 4.420 nan 0.000 0.274 264 P C -0.847 176.597 177.300 0.239 0.000 1.256 264 P CA -0.098 63.154 63.100 0.253 0.000 0.795 264 P CB 0.591 32.503 31.700 0.354 0.000 1.038 265 T N -3.068 111.626 114.554 0.233 0.000 2.940 265 T HA 0.636 4.986 4.350 -0.000 0.000 0.288 265 T C -0.483 174.373 174.700 0.260 0.000 1.045 265 T CA -0.880 61.331 62.100 0.184 0.000 1.018 265 T CB 1.462 70.388 68.868 0.097 0.000 1.151 265 T HN 0.379 nan 8.240 nan 0.000 0.529 266 V N 0.239 120.292 119.914 0.232 0.000 2.971 266 V HA 0.772 4.892 4.120 -0.000 0.000 0.309 266 V C -1.810 174.365 176.094 0.134 0.000 1.130 266 V CA -0.832 61.550 62.300 0.137 0.000 0.964 266 V CB 2.101 34.030 31.823 0.176 0.000 1.029 266 V HN 0.971 nan 8.190 nan 0.000 0.427 267 K N 3.950 124.346 120.400 -0.007 0.000 2.385 267 K HA 0.590 4.910 4.320 -0.000 0.000 0.248 267 K C -1.620 174.862 176.600 -0.196 0.000 0.955 267 K CA -0.330 55.899 56.287 -0.097 0.000 0.816 267 K CB 2.386 34.803 32.500 -0.138 0.000 1.250 267 K HN 0.650 nan 8.250 nan 0.000 0.434 268 F N 1.646 121.282 119.950 -0.524 0.000 2.540 268 F HA 0.605 5.132 4.527 -0.000 0.000 0.317 268 F C -1.420 173.875 175.800 -0.841 0.000 1.104 268 F CA -0.782 56.907 58.000 -0.518 0.000 0.913 268 F CB 0.969 39.778 39.000 -0.318 0.000 1.170 268 F HN 0.405 nan 8.300 nan 0.000 0.450 269 F N 3.450 122.608 119.950 -1.321 0.000 2.629 269 F HA 0.781 5.308 4.527 -0.000 0.000 0.316 269 F C -1.057 174.107 175.800 -1.061 0.000 1.081 269 F CA -1.135 56.248 58.000 -1.029 0.000 0.954 269 F CB 2.228 40.519 39.000 -1.182 0.000 1.337 269 F HN 0.187 nan 8.300 nan 0.000 0.474 270 V N 2.148 121.879 119.914 -0.305 0.000 2.668 270 V HA 0.614 4.734 4.120 -0.000 0.000 0.304 270 V C -1.192 175.014 176.094 0.187 0.000 1.071 270 V CA -0.810 61.417 62.300 -0.122 0.000 0.894 270 V CB 1.844 33.495 31.823 -0.287 0.000 1.008 270 V HN 0.524 nan 8.190 nan 0.000 0.425 271 V N 3.333 123.404 119.914 0.262 0.000 2.495 271 V HA 0.471 4.591 4.120 -0.000 0.000 0.298 271 V C 0.028 176.304 176.094 0.303 0.000 1.031 271 V CA -0.777 61.683 62.300 0.265 0.000 0.871 271 V CB 2.015 33.933 31.823 0.159 0.000 0.988 271 V HN 0.878 nan 8.190 nan 0.000 0.432 272 N N 2.486 121.339 118.700 0.254 0.000 2.442 272 N HA 0.105 4.845 4.740 -0.000 0.000 0.265 272 N C 0.757 176.251 175.510 -0.027 0.000 1.138 272 N CA 0.280 53.352 53.050 0.038 0.000 0.956 272 N CB 1.771 40.241 38.487 -0.028 0.000 1.067 272 N HN 0.713 nan 8.380 nan 0.000 0.474 273 T N 1.879 116.398 114.554 -0.059 0.000 3.100 273 T HA 0.062 4.412 4.350 -0.000 0.000 0.253 273 T C 0.525 175.184 174.700 -0.068 0.000 1.118 273 T CA 0.405 62.499 62.100 -0.009 0.000 1.058 273 T CB 0.183 69.156 68.868 0.174 0.000 0.953 273 T HN 0.466 nan 8.240 nan 0.000 0.515 274 D N 1.121 121.450 120.400 -0.117 0.000 2.346 274 D HA 0.060 4.700 4.640 -0.000 0.000 0.206 274 D C 0.999 177.237 176.300 -0.103 0.000 1.001 274 D CA 0.389 54.324 54.000 -0.110 0.000 0.871 274 D CB 0.271 40.993 40.800 -0.130 0.000 0.943 274 D HN 0.402 nan 8.370 nan 0.000 0.518 275 S N 0.710 116.350 115.700 -0.101 0.000 2.912 275 S HA 0.475 4.945 4.470 -0.000 0.000 0.184 275 S C -0.021 174.516 174.600 -0.106 0.000 1.390 275 S CA -0.654 57.500 58.200 -0.076 0.000 1.088 275 S CB -0.144 63.037 63.200 -0.031 0.000 1.284 275 S HN -0.015 nan 8.310 nan 0.000 0.502 276 L N 1.336 122.438 121.223 -0.202 0.000 2.341 276 L HA 0.747 5.087 4.340 -0.000 0.000 0.267 276 L C 0.028 176.769 176.870 -0.216 0.000 1.009 276 L CA -0.664 53.989 54.840 -0.313 0.000 0.819 276 L CB 2.227 43.839 42.059 -0.745 0.000 1.323 276 L HN 0.484 nan 8.230 nan 0.000 0.425 277 S N -0.228 115.453 115.700 -0.031 0.000 2.500 277 S HA 0.294 4.764 4.470 -0.000 0.000 0.301 277 S C 0.733 175.534 174.600 0.335 0.000 1.092 277 S CA -0.505 57.779 58.200 0.140 0.000 1.030 277 S CB 1.930 65.185 63.200 0.092 0.000 1.031 277 S HN 0.600 nan 8.310 nan 0.000 0.483 278 S N 2.397 118.290 115.700 0.322 0.000 2.387 278 S HA -0.101 4.369 4.470 -0.000 0.000 0.230 278 S C 1.405 176.096 174.600 0.152 0.000 1.035 278 S CA 1.943 60.278 58.200 0.225 0.000 1.014 278 S CB -0.172 63.099 63.200 0.119 0.000 0.836 278 S HN 0.684 nan 8.310 nan 0.000 0.466 279 V N -1.117 118.879 119.914 0.137 0.000 3.484 279 V HA 0.161 4.281 4.120 -0.000 0.000 0.252 279 V C 0.631 176.792 176.094 0.113 0.000 1.282 279 V CA 0.218 62.585 62.300 0.112 0.000 1.104 279 V CB -0.097 31.770 31.823 0.073 0.000 0.868 279 V HN 0.193 nan 8.190 nan 0.000 0.457 280 T N 2.668 117.285 114.554 0.106 0.000 2.832 280 T HA 0.244 4.594 4.350 -0.000 0.000 0.296 280 T C 0.165 174.930 174.700 0.109 0.000 0.968 280 T CA -0.119 62.030 62.100 0.082 0.000 1.107 280 T CB 0.272 69.176 68.868 0.059 0.000 0.916 280 T HN 0.222 nan 8.240 nan 0.000 0.517 281 N N 2.242 120.996 118.700 0.090 0.000 2.412 281 N HA 0.242 4.982 4.740 -0.000 0.000 0.254 281 N C 0.143 175.715 175.510 0.102 0.000 1.232 281 N CA -0.065 53.061 53.050 0.127 0.000 0.880 281 N CB 0.344 38.859 38.487 0.046 0.000 1.076 281 N HN 0.798 nan 8.380 nan 0.000 0.458 282 A N 1.908 124.799 122.820 0.119 0.000 2.407 282 A HA 0.327 4.647 4.320 -0.000 0.000 0.248 282 A C 0.270 177.893 177.584 0.065 0.000 1.082 282 A CA -0.132 51.946 52.037 0.068 0.000 0.785 282 A CB 0.164 19.187 19.000 0.039 0.000 1.020 282 A HN 0.549 nan 8.150 nan 0.000 0.489 283 T N 2.290 116.884 114.554 0.067 0.000 2.767 283 T HA 0.440 4.790 4.350 -0.000 0.000 0.288 283 T C 0.094 174.857 174.700 0.105 0.000 0.963 283 T CA 0.063 62.212 62.100 0.081 0.000 1.019 283 T CB 0.754 69.678 68.868 0.093 0.000 0.923 283 T HN 0.523 nan 8.240 nan 0.000 0.468 284 S N 2.950 118.703 115.700 0.089 0.000 2.433 284 S HA 0.517 4.987 4.470 -0.000 0.000 0.310 284 S C -0.116 174.613 174.600 0.215 0.000 1.097 284 S CA -0.647 57.621 58.200 0.113 0.000 1.103 284 S CB 0.367 63.526 63.200 -0.068 0.000 0.992 284 S HN 0.479 nan 8.310 nan 0.000 0.469 285 I N 3.017 123.751 120.570 0.274 0.000 2.385 285 I HA 0.317 4.487 4.170 -0.000 0.000 0.294 285 I C 0.391 176.676 176.117 0.279 0.000 0.988 285 I CA -0.184 61.299 61.300 0.305 0.000 1.265 285 I CB 1.203 39.434 38.000 0.385 0.000 1.388 285 I HN 0.544 nan 8.210 nan 0.000 0.480 286 Q N 6.201 126.137 119.800 0.227 0.000 2.241 286 Q HA 0.620 4.960 4.340 -0.000 0.000 0.254 286 Q C -1.292 174.663 176.000 -0.076 0.000 0.917 286 Q CA -0.535 55.215 55.803 -0.089 0.000 0.919 286 Q CB 1.290 29.937 28.738 -0.153 0.000 1.237 286 Q HN 0.588 nan 8.270 nan 0.000 0.434 287 I N 2.795 123.286 120.570 -0.132 0.000 2.404 287 I HA 0.279 4.449 4.170 -0.000 0.000 0.293 287 I C -0.122 175.982 176.117 -0.023 0.000 0.992 287 I CA -0.666 60.629 61.300 -0.009 0.000 1.149 287 I CB 2.148 40.173 38.000 0.043 0.000 1.315 287 I HN 0.598 nan 8.210 nan 0.000 0.446 288 T N 4.885 119.407 114.554 -0.053 0.000 2.907 288 T HA 0.516 4.866 4.350 -0.000 0.000 0.284 288 T C 0.244 174.786 174.700 -0.263 0.000 1.004 288 T CA -0.361 61.655 62.100 -0.141 0.000 1.063 288 T CB 1.372 70.160 68.868 -0.134 0.000 0.992 288 T HN 0.680 nan 8.240 nan 0.000 0.483 289 A N 4.496 126.937 122.820 -0.630 0.000 2.425 289 A HA 0.499 4.819 4.320 -0.000 0.000 0.242 289 A C -2.292 174.835 177.584 -0.761 0.000 1.077 289 A CA -1.171 50.074 52.037 -1.321 0.000 0.781 289 A CB -0.480 17.156 19.000 -2.273 0.000 1.020 289 A HN 0.512 nan 8.150 nan 0.000 0.494 290 P HA 0.180 nan 4.420 nan 0.000 0.268 290 P C 0.837 177.947 177.300 -0.317 0.000 1.205 290 P CA 0.670 63.551 63.100 -0.365 0.000 0.771 290 P CB 0.734 32.276 31.700 -0.264 0.000 0.858 291 A N 3.335 126.034 122.820 -0.201 0.000 1.971 291 A HA -0.265 4.055 4.320 -0.000 0.000 0.222 291 A C 2.080 179.585 177.584 -0.131 0.000 1.182 291 A CA 2.590 54.537 52.037 -0.150 0.000 0.649 291 A CB -1.745 17.195 19.000 -0.100 0.000 0.818 291 A HN 0.627 nan 8.150 nan 0.000 0.458 292 S N -1.878 113.758 115.700 -0.106 0.000 2.555 292 S HA 0.021 4.491 4.470 -0.000 0.000 0.230 292 S C 1.563 176.123 174.600 -0.068 0.000 0.978 292 S CA 1.298 59.461 58.200 -0.061 0.000 0.934 292 S CB -0.212 63.013 63.200 0.041 0.000 0.766 292 S HN 0.449 nan 8.310 nan 0.000 0.533 293 M N 0.269 119.773 119.600 -0.159 0.000 2.730 293 M HA 0.376 4.856 4.480 -0.000 0.000 0.258 293 M C 1.810 178.057 176.300 -0.088 0.000 1.279 293 M CA 0.475 55.668 55.300 -0.178 0.000 1.183 293 M CB -0.961 31.338 32.600 -0.502 0.000 1.291 293 M HN 0.300 nan 8.290 nan 0.000 0.518 294 L N 0.882 121.988 121.223 -0.196 0.000 2.450 294 L HA -0.137 4.203 4.340 -0.000 0.000 0.224 294 L C 2.379 179.246 176.870 -0.005 0.000 1.149 294 L CA 0.595 55.401 54.840 -0.056 0.000 0.816 294 L CB -0.641 41.339 42.059 -0.131 0.000 0.932 294 L HN 0.298 nan 8.230 nan 0.000 0.449 295 I N -0.739 119.812 120.570 -0.030 0.000 2.454 295 I HA -0.093 4.077 4.170 -0.000 0.000 0.254 295 I C 1.065 177.170 176.117 -0.019 0.000 1.156 295 I CA 1.234 62.513 61.300 -0.035 0.000 1.433 295 I CB 0.014 37.979 38.000 -0.058 0.000 1.082 295 I HN 0.208 nan 8.210 nan 0.000 0.432 296 G N -0.361 108.446 108.800 0.011 0.000 2.731 296 G HA2 0.212 4.172 3.960 -0.000 0.000 0.309 296 G HA3 0.212 4.172 3.960 -0.000 0.000 0.309 296 G C -1.743 173.134 174.900 -0.037 0.000 1.273 296 G CA -0.503 44.588 45.100 -0.014 0.000 0.798 296 G HN 0.049 nan 8.290 nan 0.000 0.509 297 D N 0.977 121.307 120.400 -0.116 0.000 2.390 297 D HA 0.514 5.154 4.640 -0.000 0.000 0.249 297 D C 0.109 176.254 176.300 -0.259 0.000 1.144 297 D CA 0.694 54.534 54.000 -0.265 0.000 0.880 297 D CB 0.951 41.620 40.800 -0.218 0.000 1.182 297 D HN 0.568 nan 8.370 nan 0.000 0.451 298 H N -0.899 118.033 119.070 -0.230 0.000 2.960 298 H HA 0.600 5.156 4.556 0.000 0.000 0.323 298 H C -1.596 173.609 175.328 -0.204 0.000 1.326 298 H CA -0.940 54.992 56.048 -0.193 0.000 1.124 298 H CB 0.389 30.149 29.762 -0.003 0.000 1.853 298 H HN 0.247 nan 8.280 nan 0.000 0.536 299 Y N -0.359 120.243 120.300 0.503 0.000 2.545 299 Y HA 0.372 4.922 4.550 -0.000 0.000 0.348 299 Y C -0.371 175.844 175.900 0.525 0.000 1.002 299 Y CA -1.202 57.199 58.100 0.500 0.000 1.039 299 Y CB 2.072 40.654 38.460 0.204 0.000 1.271 299 Y HN 0.574 nan 8.280 nan 0.000 0.467 300 L N 1.658 123.264 121.223 0.638 0.000 2.331 300 L HA 0.171 4.511 4.340 -0.000 0.000 0.278 300 L C -0.086 176.860 176.870 0.128 0.000 1.106 300 L CA 0.077 54.960 54.840 0.071 0.000 0.824 300 L CB 0.843 42.897 42.059 -0.008 0.000 1.142 300 L HN 0.993 nan 8.230 nan 0.000 0.443 301 C N 2.551 121.786 119.300 -0.107 0.000 3.270 301 C HA 0.326 4.786 4.460 -0.000 0.000 0.369 301 C C 0.159 175.078 174.990 -0.119 0.000 1.326 301 C CA -0.128 58.789 59.018 -0.169 0.000 1.846 301 C CB -0.102 27.577 27.740 -0.102 0.000 2.534 301 C HN 0.893 nan 8.230 nan 0.000 0.649 302 D N -1.391 118.940 120.400 -0.115 0.000 2.769 302 D HA 0.499 5.139 4.640 -0.000 0.000 0.219 302 D C -1.502 174.549 176.300 -0.415 0.000 1.245 302 D CA -0.019 53.931 54.000 -0.083 0.000 0.801 302 D CB 1.863 42.581 40.800 -0.136 0.000 1.598 302 D HN -0.110 nan 8.370 nan 0.000 0.485 303 V N 1.758 121.350 119.914 -0.536 0.000 2.588 303 V HA 0.777 4.897 4.120 -0.000 0.000 0.304 303 V C -0.601 175.103 176.094 -0.650 0.000 1.042 303 V CA -0.486 61.226 62.300 -0.980 0.000 0.877 303 V CB 2.066 32.688 31.823 -2.001 0.000 0.996 303 V HN 0.695 nan 8.190 nan 0.000 0.425 304 T N 3.129 117.358 114.554 -0.541 0.000 3.548 304 T HA 0.275 4.625 4.350 -0.000 0.000 0.329 304 T C -1.028 173.500 174.700 -0.287 0.000 0.960 304 T CA -0.489 61.466 62.100 -0.242 0.000 1.041 304 T CB 0.629 69.442 68.868 -0.092 0.000 1.065 304 T HN 0.542 nan 8.240 nan 0.000 0.459 305 W N 2.322 123.539 121.300 -0.139 0.000 2.210 305 W HA 0.472 5.132 4.660 -0.000 0.000 0.330 305 W C 1.180 177.562 176.519 -0.228 0.000 1.334 305 W CA -0.179 57.083 57.345 -0.139 0.000 1.227 305 W CB 0.594 30.061 29.460 0.012 0.000 1.178 305 W HN 0.856 nan 8.180 nan 0.000 0.560 306 A N 2.171 124.868 122.820 -0.204 0.000 1.920 306 A HA 0.191 4.511 4.320 -0.000 0.000 0.209 306 A C 0.872 178.430 177.584 -0.042 0.000 1.229 306 A CA 1.505 53.258 52.037 -0.473 0.000 0.671 306 A CB -0.380 17.964 19.000 -1.094 0.000 0.886 306 A HN 0.519 nan 8.150 nan 0.000 0.461 307 T N -5.218 109.399 114.554 0.105 0.000 2.696 307 T HA 0.359 4.709 4.350 -0.000 0.000 0.291 307 T C 0.078 174.953 174.700 0.291 0.000 1.095 307 T CA -0.460 61.745 62.100 0.176 0.000 1.026 307 T CB 0.835 69.789 68.868 0.143 0.000 1.390 307 T HN 0.026 nan 8.240 nan 0.000 0.513 308 Q N 0.256 120.197 119.800 0.235 0.000 2.364 308 Q HA -0.027 4.313 4.340 -0.000 0.000 0.209 308 Q C 0.867 177.129 176.000 0.436 0.000 0.977 308 Q CA 1.371 57.328 55.803 0.257 0.000 0.885 308 Q CB -0.075 28.772 28.738 0.182 0.000 0.941 308 Q HN 0.821 nan 8.270 nan 0.000 0.464 309 E N 0.031 120.477 120.200 0.410 0.000 2.676 309 E HA 0.170 4.520 4.350 -0.000 0.000 0.222 309 E C 0.079 176.945 176.600 0.445 0.000 0.968 309 E CA -0.190 56.453 56.400 0.405 0.000 1.090 309 E CB 1.020 30.878 29.700 0.263 0.000 1.066 309 E HN 0.017 nan 8.360 nan 0.000 0.496 310 R N 1.622 122.375 120.500 0.421 0.000 2.574 310 R HA 0.504 4.844 4.340 -0.000 0.000 0.288 310 R C -1.471 174.807 176.300 -0.036 0.000 1.004 310 R CA -0.399 55.832 56.100 0.219 0.000 0.895 310 R CB 1.177 31.516 30.300 0.064 0.000 1.191 310 R HN -0.067 nan 8.270 nan 0.000 0.444 311 I N 1.803 122.166 120.570 -0.345 0.000 2.569 311 I HA 0.316 4.486 4.170 -0.000 0.000 0.296 311 I C -0.328 175.438 176.117 -0.584 0.000 1.028 311 I CA -1.010 59.807 61.300 -0.804 0.000 1.082 311 I CB 2.221 39.433 38.000 -1.314 0.000 1.264 311 I HN 0.501 nan 8.210 nan 0.000 0.429 312 S N 6.355 121.694 115.700 -0.603 0.000 2.437 312 S HA 0.715 5.185 4.470 -0.000 0.000 0.305 312 S C -0.881 173.373 174.600 -0.577 0.000 1.109 312 S CA -0.538 57.395 58.200 -0.444 0.000 1.099 312 S CB 0.462 63.508 63.200 -0.257 0.000 1.004 312 S HN 0.461 nan 8.310 nan 0.000 0.475 313 L N 4.367 125.263 121.223 -0.544 0.000 2.333 313 L HA 0.554 4.894 4.340 -0.000 0.000 0.280 313 L C -0.097 176.451 176.870 -0.537 0.000 1.004 313 L CA -0.600 53.800 54.840 -0.733 0.000 0.820 313 L CB 1.931 43.452 42.059 -0.896 0.000 1.247 313 L HN 0.601 nan 8.230 nan 0.000 0.416 314 Q N 1.839 121.309 119.800 -0.549 0.000 2.293 314 Q HA 0.453 4.793 4.340 -0.000 0.000 0.261 314 Q C -1.811 173.969 176.000 -0.367 0.000 0.960 314 Q CA -0.460 55.147 55.803 -0.326 0.000 0.882 314 Q CB 1.743 30.340 28.738 -0.236 0.000 1.275 314 Q HN 0.454 nan 8.270 nan 0.000 0.445 315 W N 3.414 124.649 121.300 -0.108 0.000 2.781 315 W HA 0.625 5.285 4.660 -0.000 0.000 0.345 315 W C -1.197 175.331 176.519 0.015 0.000 1.085 315 W CA -0.736 56.580 57.345 -0.048 0.000 1.198 315 W CB 1.432 30.823 29.460 -0.116 0.000 1.423 315 W HN 0.434 nan 8.180 nan 0.000 0.532 316 L N 2.645 124.088 121.223 0.366 0.000 2.436 316 L HA 0.557 4.897 4.340 -0.000 0.000 0.268 316 L C -0.299 176.783 176.870 0.353 0.000 0.974 316 L CA -0.998 54.021 54.840 0.299 0.000 0.826 316 L CB 1.394 43.594 42.059 0.235 0.000 1.291 316 L HN 0.386 nan 8.230 nan 0.000 0.406 317 R N 2.941 123.609 120.500 0.279 0.000 2.643 317 R HA 0.214 4.554 4.340 -0.000 0.000 0.270 317 R C 1.012 177.420 176.300 0.180 0.000 1.061 317 R CA -0.245 55.980 56.100 0.208 0.000 1.107 317 R CB 0.608 31.010 30.300 0.170 0.000 0.999 317 R HN 0.681 nan 8.270 nan 0.000 0.460 318 R N 1.886 122.408 120.500 0.036 0.000 2.117 318 R HA -0.095 4.245 4.340 -0.000 0.000 0.243 318 R C 0.409 176.785 176.300 0.126 0.000 1.143 318 R CA 1.277 57.394 56.100 0.029 0.000 0.968 318 R CB -0.027 30.205 30.300 -0.113 0.000 0.863 318 R HN 0.506 nan 8.270 nan 0.000 0.444 319 I N 2.444 123.062 120.570 0.081 0.000 2.347 319 I HA -0.017 4.153 4.170 -0.000 0.000 0.294 319 I C 0.374 176.555 176.117 0.106 0.000 1.090 319 I CA 0.302 61.647 61.300 0.075 0.000 1.314 319 I CB 1.324 39.352 38.000 0.045 0.000 1.423 319 I HN 0.186 nan 8.210 nan 0.000 0.503 320 Q N 4.727 124.585 119.800 0.097 0.000 2.600 320 Q HA 0.021 4.361 4.340 -0.000 0.000 0.276 320 Q C 0.574 176.646 176.000 0.121 0.000 1.006 320 Q CA -0.030 55.840 55.803 0.111 0.000 0.942 320 Q CB -0.201 28.560 28.738 0.038 0.000 1.383 320 Q HN 0.528 nan 8.270 nan 0.000 0.414 321 N N -0.271 118.509 118.700 0.134 0.000 2.322 321 N HA 0.016 4.756 4.740 -0.000 0.000 0.181 321 N C -1.205 174.424 175.510 0.198 0.000 1.088 321 N CA 0.354 53.483 53.050 0.132 0.000 0.885 321 N CB 0.611 39.165 38.487 0.111 0.000 1.013 321 N HN 0.317 nan 8.380 nan 0.000 0.472 322 Y N 0.149 120.476 120.300 0.046 0.000 2.401 322 Y HA 0.456 5.006 4.550 -0.000 0.000 0.330 322 Y C -1.245 174.691 175.900 0.059 0.000 1.071 322 Y CA -0.977 57.148 58.100 0.041 0.000 1.049 322 Y CB 1.139 39.617 38.460 0.029 0.000 1.239 322 Y HN -0.065 nan 8.280 nan 0.000 0.437 323 S N 3.772 119.364 115.700 -0.180 0.000 2.564 323 S HA 0.900 5.370 4.470 -0.000 0.000 0.274 323 S C -1.923 172.553 174.600 -0.206 0.000 1.124 323 S CA -0.889 57.264 58.200 -0.078 0.000 0.869 323 S CB 2.029 65.219 63.200 -0.016 0.000 1.105 323 S HN 0.482 nan 8.310 nan 0.000 0.472 324 V N 2.436 122.313 119.914 -0.061 0.000 2.638 324 V HA 0.500 4.620 4.120 -0.000 0.000 0.306 324 V C -0.614 175.481 176.094 0.001 0.000 1.052 324 V CA -0.601 61.662 62.300 -0.060 0.000 0.885 324 V CB 1.876 33.694 31.823 -0.007 0.000 0.999 324 V HN 1.028 nan 8.190 nan 0.000 0.424 325 M N 3.884 123.462 119.600 -0.037 0.000 2.144 325 M HA 0.491 4.971 4.480 -0.000 0.000 0.356 325 M C -1.071 175.218 176.300 -0.019 0.000 1.217 325 M CA -0.133 55.128 55.300 -0.064 0.000 1.087 325 M CB 0.890 33.424 32.600 -0.111 0.000 1.609 325 M HN 0.615 nan 8.290 nan 0.000 0.467 326 D N 5.128 125.506 120.400 -0.037 0.000 2.278 326 D HA 0.482 5.122 4.640 -0.000 0.000 0.245 326 D C -1.192 175.060 176.300 -0.080 0.000 1.052 326 D CA -0.098 53.889 54.000 -0.021 0.000 0.834 326 D CB 1.361 42.194 40.800 0.055 0.000 1.194 326 D HN 0.570 nan 8.370 nan 0.000 0.481 327 I N 3.122 123.673 120.570 -0.030 0.000 2.355 327 I HA 0.301 4.471 4.170 -0.000 0.000 0.288 327 I C -0.551 175.557 176.117 -0.016 0.000 0.999 327 I CA -0.487 60.797 61.300 -0.027 0.000 1.163 327 I CB 1.133 39.171 38.000 0.064 0.000 1.316 327 I HN 0.218 nan 8.210 nan 0.000 0.454 328 c N 4.240 122.814 118.600 -0.042 0.000 2.369 328 c HA 0.532 5.102 4.570 -0.000 0.000 0.322 328 c C -0.465 173.765 174.090 0.233 0.000 1.258 328 c CA -0.795 55.576 56.329 0.069 0.000 1.487 328 c CB 0.954 43.465 42.510 0.002 0.000 2.165 328 c HN 0.579 nan 8.230 nan 0.000 0.483 329 D N 0.692 121.250 120.400 0.264 0.000 2.248 329 D HA 0.307 4.947 4.640 -0.000 0.000 0.246 329 D C -0.650 175.670 176.300 0.033 0.000 1.027 329 D CA -0.232 53.896 54.000 0.213 0.000 0.853 329 D CB 1.089 41.934 40.800 0.075 0.000 1.243 329 D HN 0.562 nan 8.370 nan 0.000 0.462 330 Y N 1.246 121.235 120.300 -0.518 0.000 2.359 330 Y HA 0.224 4.774 4.550 -0.000 0.000 0.330 330 Y C -0.177 175.432 175.900 -0.484 0.000 1.143 330 Y CA -0.170 57.259 58.100 -1.119 0.000 1.318 330 Y CB 0.777 38.466 38.460 -1.285 0.000 1.234 330 Y HN 0.137 nan 8.280 nan 0.000 0.522 331 D N 5.260 124.965 120.400 -1.159 0.000 2.392 331 D HA 0.070 4.710 4.640 -0.000 0.000 0.228 331 D C 0.964 176.700 176.300 -0.939 0.000 1.074 331 D CA -0.176 53.363 54.000 -0.769 0.000 0.838 331 D CB 0.719 41.251 40.800 -0.448 0.000 1.067 331 D HN 0.836 nan 8.370 nan 0.000 0.511 332 E N 2.222 122.078 120.200 -0.574 0.000 2.086 332 E HA -0.265 4.085 4.350 -0.000 0.000 0.205 332 E C 0.806 177.265 176.600 -0.234 0.000 1.027 332 E CA 1.453 57.664 56.400 -0.315 0.000 0.830 332 E CB -0.007 29.620 29.700 -0.121 0.000 0.751 332 E HN 0.286 nan 8.360 nan 0.000 0.456 333 S N 0.853 116.433 115.700 -0.199 0.000 2.361 333 S HA -0.200 4.270 4.470 -0.000 0.000 0.214 333 S C 2.200 176.724 174.600 -0.126 0.000 1.034 333 S CA 1.673 59.797 58.200 -0.126 0.000 1.025 333 S CB -0.589 62.550 63.200 -0.103 0.000 0.996 333 S HN 0.563 nan 8.310 nan 0.000 0.422 334 S N 0.491 116.098 115.700 -0.155 0.000 2.419 334 S HA 0.059 4.529 4.470 -0.000 0.000 0.233 334 S C 1.533 176.079 174.600 -0.091 0.000 1.016 334 S CA 1.626 59.761 58.200 -0.108 0.000 0.974 334 S CB -0.716 62.422 63.200 -0.104 0.000 0.786 334 S HN 1.138 nan 8.310 nan 0.000 0.492 335 G N 0.814 109.498 108.800 -0.193 0.000 2.148 335 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.254 335 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.254 335 G C 0.174 175.105 174.900 0.050 0.000 0.981 335 G CA 0.444 45.527 45.100 -0.028 0.000 0.670 335 G HN 0.666 nan 8.290 nan 0.000 0.528 336 R N -2.052 118.368 120.500 -0.134 0.000 3.006 336 R HA 0.713 5.053 4.340 -0.000 0.000 0.235 336 R C -1.020 175.179 176.300 -0.169 0.000 1.362 336 R CA -0.939 55.154 56.100 -0.012 0.000 1.067 336 R CB 0.882 31.220 30.300 0.065 0.000 1.396 336 R HN 0.140 nan 8.270 nan 0.000 0.504 337 W N 0.576 121.912 121.300 0.060 0.000 2.538 337 W HA 0.423 5.083 4.660 0.000 0.000 0.322 337 W C -0.580 175.935 176.519 -0.007 0.000 1.028 337 W CA -0.482 56.883 57.345 0.034 0.000 1.228 337 W CB 1.231 30.707 29.460 0.027 0.000 1.356 337 W HN 0.163 nan 8.180 nan 0.000 0.452 338 N N 2.510 121.304 118.700 0.157 0.000 2.400 338 N HA 0.394 5.134 4.740 -0.000 0.000 0.288 338 N C -1.369 174.189 175.510 0.080 0.000 1.024 338 N CA -0.394 52.705 53.050 0.082 0.000 0.894 338 N CB 1.747 40.244 38.487 0.018 0.000 1.173 338 N HN 0.261 nan 8.380 nan 0.000 0.487 339 c N 3.301 121.931 118.600 0.049 0.000 2.242 339 c HA 0.308 4.878 4.570 -0.000 0.000 0.317 339 c C 0.320 174.411 174.090 0.001 0.000 1.087 339 c CA -0.897 55.447 56.329 0.025 0.000 1.535 339 c CB -1.246 41.270 42.510 0.010 0.000 1.893 339 c HN 0.518 nan 8.230 nan 0.000 0.426 340 L N 3.010 124.234 121.223 0.002 0.000 2.584 340 L HA 0.012 4.352 4.340 -0.000 0.000 0.272 340 L C 1.535 178.388 176.870 -0.027 0.000 1.195 340 L CA 0.695 55.528 54.840 -0.012 0.000 0.920 340 L CB 0.364 42.418 42.059 -0.008 0.000 1.173 340 L HN 0.599 nan 8.230 nan 0.000 0.489 341 V N 4.364 124.257 119.914 -0.034 0.000 2.332 341 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 341 V C 2.213 178.272 176.094 -0.058 0.000 1.055 341 V CA 2.057 64.330 62.300 -0.045 0.000 1.038 341 V CB -0.855 30.943 31.823 -0.041 0.000 0.651 341 V HN 1.017 nan 8.190 nan 0.000 0.450 342 A N -0.364 122.425 122.820 -0.052 0.000 2.121 342 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 342 A C 2.283 179.809 177.584 -0.096 0.000 1.154 342 A CA 1.501 53.500 52.037 -0.064 0.000 0.679 342 A CB -0.495 18.478 19.000 -0.045 0.000 0.795 342 A HN 0.529 nan 8.150 nan 0.000 0.458 343 R N -0.173 120.276 120.500 -0.085 0.000 2.427 343 R HA 0.162 4.502 4.340 -0.000 0.000 0.262 343 R C -0.219 175.990 176.300 -0.152 0.000 0.943 343 R CA -0.148 55.893 56.100 -0.098 0.000 1.081 343 R CB -0.056 30.234 30.300 -0.017 0.000 1.166 343 R HN 0.599 nan 8.270 nan 0.000 0.534 344 Q N 0.169 119.865 119.800 -0.175 0.000 2.354 344 Q HA 0.127 4.467 4.340 -0.000 0.000 0.244 344 Q C -1.065 174.734 176.000 -0.335 0.000 0.969 344 Q CA 0.105 55.813 55.803 -0.157 0.000 0.885 344 Q CB 1.178 29.859 28.738 -0.096 0.000 1.241 344 Q HN 0.322 nan 8.270 nan 0.000 0.461 345 H N 0.571 119.612 119.070 -0.047 0.000 2.505 345 H HA 0.446 5.002 4.556 -0.000 0.000 0.338 345 H C -0.839 174.417 175.328 -0.120 0.000 1.057 345 H CA -0.426 55.578 56.048 -0.073 0.000 1.202 345 H CB 1.033 30.729 29.762 -0.110 0.000 1.466 345 H HN 0.405 nan 8.280 nan 0.000 0.499 346 I N 2.819 123.386 120.570 -0.006 0.000 2.441 346 I HA 0.260 4.430 4.170 -0.000 0.000 0.295 346 I C -0.345 175.715 176.117 -0.096 0.000 0.994 346 I CA -0.465 60.752 61.300 -0.139 0.000 1.144 346 I CB 1.626 39.520 38.000 -0.176 0.000 1.314 346 I HN 0.528 nan 8.210 nan 0.000 0.445 347 E N 7.344 127.443 120.200 -0.169 0.000 2.224 347 E HA 0.577 4.927 4.350 -0.000 0.000 0.265 347 E C -1.182 175.352 176.600 -0.110 0.000 0.878 347 E CA -0.652 55.699 56.400 -0.083 0.000 0.759 347 E CB 2.537 32.209 29.700 -0.047 0.000 1.164 347 E HN 0.465 nan 8.360 nan 0.000 0.414 348 M N 1.055 120.636 119.600 -0.032 0.000 2.716 348 M HA 0.486 4.966 4.480 -0.000 0.000 0.307 348 M C -0.362 175.950 176.300 0.020 0.000 1.223 348 M CA -0.999 54.314 55.300 0.022 0.000 0.871 348 M CB 2.396 35.047 32.600 0.084 0.000 1.739 348 M HN 0.288 nan 8.290 nan 0.000 0.475 349 S N -0.666 115.046 115.700 0.020 0.000 2.557 349 S HA 0.433 4.903 4.470 -0.000 0.000 0.291 349 S C -0.042 174.541 174.600 -0.027 0.000 1.116 349 S CA -0.441 57.742 58.200 -0.027 0.000 0.992 349 S CB 1.766 64.909 63.200 -0.094 0.000 1.028 349 S HN 0.744 nan 8.310 nan 0.000 0.484 350 T N 2.862 117.397 114.554 -0.032 0.000 3.040 350 T HA 0.081 4.431 4.350 -0.000 0.000 0.252 350 T C 1.523 176.190 174.700 -0.055 0.000 1.064 350 T CA 0.822 62.907 62.100 -0.025 0.000 1.110 350 T CB -0.003 68.861 68.868 -0.006 0.000 0.921 350 T HN 0.646 nan 8.240 nan 0.000 0.480 351 T N 0.446 114.947 114.554 -0.088 0.000 3.054 351 T HA 0.381 4.731 4.350 -0.000 0.000 0.259 351 T C 1.118 175.609 174.700 -0.348 0.000 1.092 351 T CA 0.841 62.873 62.100 -0.113 0.000 1.121 351 T CB 0.221 69.091 68.868 0.004 0.000 0.912 351 T HN 0.514 nan 8.240 nan 0.000 0.489 352 G N 0.123 108.591 108.800 -0.553 0.000 2.947 352 G HA2 0.432 4.392 3.960 -0.000 0.000 0.115 352 G HA3 0.432 4.392 3.960 -0.000 0.000 0.115 352 G C -1.710 172.981 174.900 -0.348 0.000 1.214 352 G CA -0.369 44.293 45.100 -0.730 0.000 1.324 352 G HN 0.417 nan 8.290 nan 0.000 0.645 353 W N 0.164 121.225 121.300 -0.398 0.000 2.671 353 W HA 0.808 5.468 4.660 0.000 0.000 0.360 353 W C -0.580 175.888 176.519 -0.085 0.000 1.128 353 W CA -1.420 55.813 57.345 -0.187 0.000 1.184 353 W CB 1.192 30.527 29.460 -0.209 0.000 1.415 353 W HN 0.290 nan 8.180 nan 0.000 0.604 354 V N 3.351 123.346 119.914 0.136 0.000 2.432 354 V HA 0.692 4.812 4.120 -0.000 0.000 0.275 354 V C 0.825 176.989 176.094 0.116 0.000 1.043 354 V CA 0.515 62.850 62.300 0.057 0.000 0.925 354 V CB -0.010 31.850 31.823 0.061 0.000 0.985 354 V HN 1.317 nan 8.190 nan 0.000 0.466 355 G N 5.106 113.933 108.800 0.045 0.000 2.829 355 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.628 355 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.628 355 G C 0.345 175.318 174.900 0.121 0.000 1.412 355 G CA 0.289 45.439 45.100 0.083 0.000 0.864 355 G HN 0.650 nan 8.290 nan 0.000 0.544 356 R N -0.894 119.673 120.500 0.113 0.000 2.055 356 R HA 0.150 4.490 4.340 -0.000 0.000 0.228 356 R C 1.852 178.105 176.300 -0.080 0.000 1.143 356 R CA 2.116 58.237 56.100 0.035 0.000 0.945 356 R CB -0.105 30.224 30.300 0.048 0.000 0.841 356 R HN 0.463 nan 8.270 nan 0.000 0.429 357 F N -1.245 118.834 119.950 0.215 0.000 2.798 357 F HA 0.366 4.893 4.527 0.000 0.000 0.328 357 F C 0.307 176.123 175.800 0.026 0.000 1.098 357 F CA -0.358 57.710 58.000 0.114 0.000 1.172 357 F CB 0.897 39.962 39.000 0.107 0.000 1.072 357 F HN -0.145 nan 8.300 nan 0.000 0.555 358 R N 0.163 120.781 120.500 0.198 0.000 2.824 358 R HA 0.241 4.581 4.340 -0.000 0.000 0.267 358 R C -3.257 173.098 176.300 0.091 0.000 1.035 358 R CA -1.425 54.729 56.100 0.090 0.000 0.887 358 R CB 0.975 31.310 30.300 0.058 0.000 1.262 358 R HN -0.307 nan 8.270 nan 0.000 0.487 359 P HA -0.018 nan 4.420 nan 0.000 0.262 359 P C -0.431 176.892 177.300 0.038 0.000 1.182 359 P CA 0.196 63.315 63.100 0.031 0.000 0.761 359 P CB 0.741 32.437 31.700 -0.008 0.000 0.795 360 S N 1.721 117.455 115.700 0.057 0.000 2.576 360 S HA 0.045 4.515 4.470 -0.000 0.000 0.272 360 S C 0.188 174.820 174.600 0.053 0.000 1.352 360 S CA -0.641 57.612 58.200 0.088 0.000 1.021 360 S CB 0.388 63.658 63.200 0.118 0.000 0.887 360 S HN 0.529 nan 8.310 nan 0.000 0.542 361 E N 1.775 122.031 120.200 0.092 0.000 2.354 361 E HA 0.300 4.650 4.350 -0.000 0.000 0.269 361 E C -2.404 174.204 176.600 0.014 0.000 1.036 361 E CA -2.245 54.166 56.400 0.019 0.000 0.876 361 E CB 0.598 30.321 29.700 0.038 0.000 1.009 361 E HN 0.475 nan 8.360 nan 0.000 0.416 362 P HA 0.253 nan 4.420 nan 0.000 0.300 362 P C -1.559 175.631 177.300 -0.183 0.000 1.326 362 P CA -0.544 62.428 63.100 -0.214 0.000 0.844 362 P CB 0.860 32.121 31.700 -0.733 0.000 0.992 363 H N 2.336 121.428 119.070 0.036 0.000 2.581 363 H HA 0.403 4.959 4.556 -0.000 0.000 0.308 363 H C -0.366 175.092 175.328 0.216 0.000 1.040 363 H CA -0.201 55.949 56.048 0.169 0.000 1.231 363 H CB -0.050 29.839 29.762 0.212 0.000 1.396 363 H HN 0.246 nan 8.280 nan 0.000 0.467 364 F N 1.743 121.890 119.950 0.328 0.000 2.396 364 F HA 0.167 4.694 4.527 -0.000 0.000 0.343 364 F C 1.212 177.211 175.800 0.332 0.000 1.104 364 F CA -0.757 57.445 58.000 0.336 0.000 1.161 364 F CB 0.887 40.014 39.000 0.212 0.000 1.146 364 F HN 0.449 nan 8.300 nan 0.000 0.522 365 T N 1.018 115.884 114.554 0.519 0.000 2.855 365 T HA 0.008 4.358 4.350 -0.000 0.000 0.314 365 T C 1.194 176.096 174.700 0.337 0.000 1.077 365 T CA -0.785 61.557 62.100 0.403 0.000 1.095 365 T CB 0.655 69.743 68.868 0.366 0.000 0.987 365 T HN 0.605 nan 8.240 nan 0.000 0.546 366 L N 1.445 122.818 121.223 0.250 0.000 2.089 366 L HA -0.136 4.204 4.340 -0.000 0.000 0.213 366 L C 2.034 179.015 176.870 0.185 0.000 1.079 366 L CA 2.543 57.503 54.840 0.199 0.000 0.758 366 L CB -1.128 41.023 42.059 0.153 0.000 0.891 366 L HN 0.953 nan 8.230 nan 0.000 0.433 367 D N -1.855 118.657 120.400 0.186 0.000 2.323 367 D HA 0.116 4.756 4.640 -0.000 0.000 0.209 367 D C 1.696 178.098 176.300 0.170 0.000 0.973 367 D CA 0.879 54.974 54.000 0.158 0.000 0.874 367 D CB -0.374 40.509 40.800 0.139 0.000 0.930 367 D HN 0.420 nan 8.370 nan 0.000 0.521 368 G N 0.086 109.025 108.800 0.231 0.000 2.175 368 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.244 368 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.244 368 G C 0.974 176.061 174.900 0.311 0.000 0.982 368 G CA 0.234 45.474 45.100 0.234 0.000 0.641 368 G HN 0.295 nan 8.290 nan 0.000 0.527 369 N N 0.390 119.253 118.700 0.272 0.000 2.422 369 N HA 0.195 4.935 4.740 -0.000 0.000 0.181 369 N C 1.021 176.654 175.510 0.205 0.000 1.080 369 N CA 1.226 54.407 53.050 0.219 0.000 0.893 369 N CB 0.376 38.947 38.487 0.140 0.000 0.973 369 N HN 0.924 nan 8.380 nan 0.000 0.456 370 S N -0.718 115.133 115.700 0.251 0.000 2.638 370 S HA 0.778 5.248 4.470 -0.000 0.000 0.274 370 S C -0.905 173.759 174.600 0.106 0.000 1.157 370 S CA -0.977 57.223 58.200 0.000 0.000 0.826 370 S CB 1.898 64.999 63.200 -0.164 0.000 1.139 370 S HN 0.135 nan 8.310 nan 0.000 0.474 371 F N -2.206 117.559 119.950 -0.308 0.000 2.741 371 F HA 0.802 5.329 4.527 0.000 0.000 0.311 371 F C -2.408 173.211 175.800 -0.301 0.000 1.149 371 F CA -1.510 56.274 58.000 -0.360 0.000 0.930 371 F CB 0.581 38.950 39.000 -1.052 0.000 1.312 371 F HN 0.606 nan 8.300 nan 0.000 0.450 372 Y N 1.019 121.502 120.300 0.305 0.000 2.446 372 Y HA 0.741 5.291 4.550 -0.000 0.000 0.345 372 Y C -0.355 175.748 175.900 0.339 0.000 0.984 372 Y CA -1.008 57.250 58.100 0.264 0.000 1.058 372 Y CB 2.365 40.914 38.460 0.149 0.000 1.220 372 Y HN 0.749 nan 8.280 nan 0.000 0.455 373 K N 2.365 123.029 120.400 0.440 0.000 2.542 373 K HA 0.550 4.870 4.320 -0.000 0.000 0.259 373 K C -1.790 174.973 176.600 0.271 0.000 0.932 373 K CA -0.561 55.936 56.287 0.351 0.000 0.820 373 K CB 1.803 34.503 32.500 0.334 0.000 1.345 373 K HN 0.709 nan 8.250 nan 0.000 0.432 374 I N 4.714 125.409 120.570 0.208 0.000 2.395 374 I HA 0.323 4.493 4.170 -0.000 0.000 0.289 374 I C -0.140 176.078 176.117 0.168 0.000 1.023 374 I CA -0.306 61.093 61.300 0.164 0.000 1.350 374 I CB 0.694 38.770 38.000 0.127 0.000 1.409 374 I HN 0.451 nan 8.210 nan 0.000 0.507 375 I N 4.034 124.722 120.570 0.197 0.000 2.913 375 I HA 0.159 4.329 4.170 -0.000 0.000 0.302 375 I C -0.189 176.057 176.117 0.216 0.000 1.246 375 I CA -0.453 60.968 61.300 0.202 0.000 1.010 375 I CB 2.491 40.637 38.000 0.243 0.000 1.259 375 I HN 0.414 nan 8.210 nan 0.000 0.434 376 S N 4.180 119.955 115.700 0.125 0.000 2.528 376 S HA 0.222 4.692 4.470 -0.000 0.000 0.277 376 S C -0.140 174.512 174.600 0.086 0.000 1.297 376 S CA -0.507 57.717 58.200 0.040 0.000 1.052 376 S CB -0.043 63.136 63.200 -0.035 0.000 0.917 376 S HN 0.710 nan 8.310 nan 0.000 0.492 377 N N 2.994 121.638 118.700 -0.093 0.000 2.366 377 N HA 0.199 4.939 4.740 -0.000 0.000 0.277 377 N C 0.604 176.012 175.510 -0.170 0.000 1.275 377 N CA -0.718 52.110 53.050 -0.369 0.000 0.964 377 N CB 0.410 38.326 38.487 -0.952 0.000 1.167 377 N HN 0.638 nan 8.380 nan 0.000 0.568 378 E N -0.376 119.717 120.200 -0.179 0.000 2.204 378 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 378 E C 0.791 177.345 176.600 -0.076 0.000 0.990 378 E CA 1.221 57.573 56.400 -0.079 0.000 0.821 378 E CB 0.044 29.709 29.700 -0.058 0.000 0.750 378 E HN 0.561 nan 8.360 nan 0.000 0.477 379 E N -0.895 119.251 120.200 -0.091 0.000 2.482 379 E HA 0.026 4.376 4.350 -0.000 0.000 0.196 379 E C 1.035 177.641 176.600 0.010 0.000 1.047 379 E CA 0.645 57.044 56.400 -0.002 0.000 0.869 379 E CB 0.329 30.047 29.700 0.030 0.000 0.836 379 E HN 0.354 nan 8.360 nan 0.000 0.520 380 G N -0.338 108.415 108.800 -0.078 0.000 2.141 380 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.242 380 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.242 380 G C -0.383 174.308 174.900 -0.349 0.000 0.982 380 G CA -0.034 44.940 45.100 -0.210 0.000 0.662 380 G HN 0.243 nan 8.290 nan 0.000 0.527 381 Y N 0.424 120.619 120.300 -0.175 0.000 2.320 381 Y HA 0.615 5.165 4.550 -0.000 0.000 0.334 381 Y C 1.223 177.025 175.900 -0.163 0.000 1.055 381 Y CA -0.878 57.117 58.100 -0.175 0.000 1.143 381 Y CB 0.949 39.318 38.460 -0.152 0.000 1.193 381 Y HN 0.083 nan 8.280 nan 0.000 0.477 382 R N 3.252 123.677 120.500 -0.125 0.000 2.288 382 R HA 0.256 4.596 4.340 -0.000 0.000 0.330 382 R C -1.045 175.062 176.300 -0.321 0.000 1.069 382 R CA 0.083 56.107 56.100 -0.127 0.000 0.941 382 R CB -0.098 30.150 30.300 -0.087 0.000 0.998 382 R HN 0.719 nan 8.270 nan 0.000 0.452 383 H N 0.633 119.658 119.070 -0.076 0.000 2.907 383 H HA 0.383 4.939 4.556 0.000 0.000 0.361 383 H C -0.283 175.072 175.328 0.045 0.000 1.194 383 H CA -0.844 55.132 56.048 -0.121 0.000 1.152 383 H CB 1.477 31.070 29.762 -0.283 0.000 1.867 383 H HN 0.331 nan 8.280 nan 0.000 0.561 384 I N 1.312 121.949 120.570 0.112 0.000 2.452 384 I HA 0.069 4.239 4.170 -0.000 0.000 0.287 384 I C -0.220 175.941 176.117 0.073 0.000 1.079 384 I CA 0.188 61.529 61.300 0.069 0.000 1.387 384 I CB 0.189 38.148 38.000 -0.069 0.000 1.404 384 I HN 0.267 nan 8.210 nan 0.000 0.522 385 c N 7.362 125.964 118.600 0.004 0.000 2.382 385 c HA 0.413 4.983 4.570 -0.000 0.000 0.327 385 c C -0.311 173.587 174.090 -0.321 0.000 1.250 385 c CA -0.501 55.613 56.329 -0.358 0.000 1.707 385 c CB 0.890 42.976 42.510 -0.707 0.000 2.272 385 c HN 0.628 nan 8.230 nan 0.000 0.506 386 Y N 4.467 124.375 120.300 -0.652 0.000 2.326 386 Y HA 0.637 5.187 4.550 -0.000 0.000 0.337 386 Y C -0.963 174.372 175.900 -0.942 0.000 1.023 386 Y CA -0.777 56.886 58.100 -0.728 0.000 1.143 386 Y CB 0.300 38.444 38.460 -0.527 0.000 1.183 386 Y HN 0.621 nan 8.280 nan 0.000 0.485 387 F N 4.212 123.432 119.950 -1.216 0.000 2.495 387 F HA 0.494 5.021 4.527 0.000 0.000 0.327 387 F C -0.250 174.750 175.800 -1.333 0.000 1.103 387 F CA -0.723 56.496 58.000 -1.302 0.000 0.949 387 F CB 1.810 39.705 39.000 -1.842 0.000 1.142 387 F HN 0.353 nan 8.300 nan 0.000 0.457 388 Q N 2.887 122.268 119.800 -0.699 0.000 2.309 388 Q HA 0.412 4.752 4.340 -0.000 0.000 0.264 388 Q C 0.778 176.694 176.000 -0.139 0.000 1.008 388 Q CA -0.700 54.838 55.803 -0.442 0.000 0.853 388 Q CB 2.838 31.367 28.738 -0.348 0.000 1.314 388 Q HN 0.750 nan 8.270 nan 0.000 0.448 389 I N 0.834 121.405 120.570 0.002 0.000 2.361 389 I HA -0.234 3.936 4.170 -0.000 0.000 0.251 389 I C 0.644 176.862 176.117 0.169 0.000 1.133 389 I CA 1.350 62.763 61.300 0.188 0.000 1.413 389 I CB 0.331 38.467 38.000 0.227 0.000 1.073 389 I HN 0.626 nan 8.210 nan 0.000 0.424 390 D N 0.629 121.074 120.400 0.076 0.000 2.501 390 D HA 0.155 4.795 4.640 -0.000 0.000 0.226 390 D C 0.046 176.355 176.300 0.015 0.000 1.198 390 D CA 0.239 54.260 54.000 0.034 0.000 0.830 390 D CB 0.397 41.210 40.800 0.021 0.000 1.014 390 D HN 0.183 nan 8.370 nan 0.000 0.496 391 K N 0.372 120.795 120.400 0.038 0.000 2.267 391 K HA 0.276 4.596 4.320 -0.000 0.000 0.246 391 K C 1.032 177.685 176.600 0.089 0.000 0.954 391 K CA -0.494 55.801 56.287 0.015 0.000 0.824 391 K CB 2.598 35.073 32.500 -0.041 0.000 1.167 391 K HN -0.150 nan 8.250 nan 0.000 0.431 392 K N 0.068 120.493 120.400 0.041 0.000 2.056 392 K HA 0.063 4.383 4.320 -0.000 0.000 0.205 392 K C 0.550 177.217 176.600 0.112 0.000 1.035 392 K CA 0.575 56.907 56.287 0.074 0.000 0.955 392 K CB -0.084 32.421 32.500 0.009 0.000 0.769 392 K HN 0.368 nan 8.250 nan 0.000 0.447 393 D N 0.509 120.904 120.400 -0.008 0.000 2.414 393 D HA 0.176 4.816 4.640 -0.000 0.000 0.259 393 D C 0.188 176.320 176.300 -0.280 0.000 1.269 393 D CA -0.019 53.928 54.000 -0.089 0.000 1.028 393 D CB 1.059 41.796 40.800 -0.105 0.000 1.093 393 D HN 0.488 nan 8.370 nan 0.000 0.545 394 c N -2.301 115.983 118.600 -0.527 0.000 3.108 394 c HA 0.769 5.339 4.570 -0.000 0.000 0.321 394 c C -0.359 173.304 174.090 -0.712 0.000 1.357 394 c CA -0.644 55.122 56.329 -0.938 0.000 1.562 394 c CB 1.259 42.515 42.510 -2.089 0.000 2.003 394 c HN 0.437 nan 8.230 nan 0.000 0.460 395 T N 1.776 115.947 114.554 -0.638 0.000 2.786 395 T HA 0.526 4.876 4.350 -0.000 0.000 0.283 395 T C -0.821 173.636 174.700 -0.404 0.000 0.992 395 T CA 0.153 62.034 62.100 -0.364 0.000 0.954 395 T CB 0.327 69.144 68.868 -0.084 0.000 0.934 395 T HN 0.455 nan 8.240 nan 0.000 0.440 396 F N 2.684 122.518 119.950 -0.192 0.000 2.504 396 F HA 0.311 4.838 4.527 -0.000 0.000 0.369 396 F C 1.209 176.865 175.800 -0.240 0.000 1.082 396 F CA -0.731 57.141 58.000 -0.213 0.000 1.216 396 F CB 0.442 39.319 39.000 -0.205 0.000 1.108 396 F HN 0.524 nan 8.300 nan 0.000 0.554 397 I N 1.249 121.732 120.570 -0.145 0.000 4.057 397 I HA 0.045 4.215 4.170 -0.000 0.000 0.334 397 I C 0.223 176.213 176.117 -0.212 0.000 1.308 397 I CA 0.425 61.472 61.300 -0.421 0.000 1.125 397 I CB 0.169 37.726 38.000 -0.738 0.000 1.034 397 I HN 0.621 nan 8.210 nan 0.000 0.401 398 T N -0.885 113.577 114.554 -0.152 0.000 2.909 398 T HA 0.754 5.104 4.350 -0.000 0.000 0.299 398 T C -0.696 173.619 174.700 -0.642 0.000 1.073 398 T CA -0.866 61.119 62.100 -0.192 0.000 0.999 398 T CB 2.440 71.274 68.868 -0.056 0.000 1.098 398 T HN 0.109 nan 8.240 nan 0.000 0.477 399 K N -0.031 119.828 120.400 -0.902 0.000 2.578 399 K HA 0.890 5.210 4.320 -0.000 0.000 0.287 399 K C -0.210 175.735 176.600 -1.093 0.000 1.010 399 K CA -0.707 54.770 56.287 -1.349 0.000 0.889 399 K CB 1.334 33.428 32.500 -0.676 0.000 1.514 399 K HN 1.548 nan 8.250 nan 0.000 0.424 400 G N -0.395 107.832 108.800 -0.956 0.000 2.371 400 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.663 400 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.663 400 G C -0.744 173.646 174.900 -0.849 0.000 1.311 400 G CA -0.489 44.206 45.100 -0.674 0.000 0.985 400 G HN 0.560 nan 8.290 nan 0.000 0.566 401 T N 2.251 116.424 114.554 -0.635 0.000 3.624 401 T HA 0.430 4.780 4.350 -0.000 0.000 0.231 401 T C 0.078 174.597 174.700 -0.303 0.000 0.865 401 T CA 1.034 62.640 62.100 -0.823 0.000 0.926 401 T CB -1.149 67.473 68.868 -0.409 0.000 1.189 401 T HN 0.653 nan 8.240 nan 0.000 0.640 402 W N -0.336 120.831 121.300 -0.222 0.000 2.874 402 W HA 0.662 5.322 4.660 -0.000 0.000 0.403 402 W C -1.298 175.214 176.519 -0.012 0.000 1.144 402 W CA -1.039 56.303 57.345 -0.005 0.000 1.175 402 W CB 0.907 30.346 29.460 -0.035 0.000 1.483 402 W HN -0.065 nan 8.180 nan 0.000 0.591 403 E N 0.645 121.046 120.200 0.334 0.000 2.356 403 E HA 0.410 4.760 4.350 -0.000 0.000 0.275 403 E C -1.291 175.437 176.600 0.214 0.000 0.904 403 E CA -1.083 55.296 56.400 -0.036 0.000 0.757 403 E CB 3.352 33.073 29.700 0.036 0.000 1.232 403 E HN 0.145 nan 8.360 nan 0.000 0.442 404 V N 3.210 123.113 119.914 -0.019 0.000 2.555 404 V HA 0.075 4.195 4.120 -0.000 0.000 0.286 404 V C 0.933 177.104 176.094 0.127 0.000 1.044 404 V CA 0.497 62.867 62.300 0.118 0.000 1.026 404 V CB 0.691 32.473 31.823 -0.070 0.000 0.981 404 V HN 0.702 nan 8.190 nan 0.000 0.480 405 I N 2.852 123.523 120.570 0.169 0.000 3.265 405 I HA 0.346 4.516 4.170 -0.000 0.000 0.282 405 I C 1.084 177.305 176.117 0.172 0.000 1.207 405 I CA 0.828 62.224 61.300 0.160 0.000 1.449 405 I CB 0.408 38.454 38.000 0.076 0.000 1.121 405 I HN 0.760 nan 8.210 nan 0.000 0.442 406 G N 0.653 109.556 108.800 0.172 0.000 2.702 406 G HA2 0.523 4.483 3.960 -0.000 0.000 0.296 406 G HA3 0.523 4.483 3.960 -0.000 0.000 0.296 406 G C -1.324 173.661 174.900 0.142 0.000 1.463 406 G CA -0.525 44.677 45.100 0.169 0.000 0.890 406 G HN -0.090 nan 8.290 nan 0.000 0.534 407 I N 1.669 122.259 120.570 0.033 0.000 2.325 407 I HA 0.260 4.430 4.170 -0.000 0.000 0.291 407 I C 0.679 176.745 176.117 -0.083 0.000 1.019 407 I CA -0.492 60.727 61.300 -0.135 0.000 1.302 407 I CB 1.713 39.380 38.000 -0.555 0.000 1.401 407 I HN 0.507 nan 8.210 nan 0.000 0.485 408 E N 5.211 125.433 120.200 0.036 0.000 2.447 408 E HA 0.371 4.721 4.350 -0.000 0.000 0.204 408 E C 0.042 176.663 176.600 0.035 0.000 0.977 408 E CA 0.080 56.557 56.400 0.127 0.000 0.950 408 E CB 1.119 30.961 29.700 0.238 0.000 0.975 408 E HN 0.662 nan 8.360 nan 0.000 0.496 409 A N 0.750 123.499 122.820 -0.117 0.000 2.590 409 A HA 0.573 4.893 4.320 -0.000 0.000 0.294 409 A C -2.052 175.471 177.584 -0.101 0.000 1.046 409 A CA -0.708 51.196 52.037 -0.222 0.000 0.684 409 A CB 1.042 19.535 19.000 -0.845 0.000 1.279 409 A HN 0.051 nan 8.150 nan 0.000 0.415 410 L N 1.385 122.591 121.223 -0.029 0.000 2.436 410 L HA 0.894 5.234 4.340 -0.000 0.000 0.268 410 L C -0.008 176.891 176.870 0.048 0.000 0.974 410 L CA 0.561 55.402 54.840 0.002 0.000 0.826 410 L CB 2.334 44.408 42.059 0.026 0.000 1.291 410 L HN 1.348 nan 8.230 nan 0.000 0.406 411 T N -0.456 114.134 114.554 0.060 0.000 2.888 411 T HA 0.413 4.763 4.350 -0.000 0.000 0.288 411 T C 0.914 175.627 174.700 0.022 0.000 1.063 411 T CA 0.027 62.170 62.100 0.071 0.000 1.010 411 T CB 1.222 70.164 68.868 0.124 0.000 1.214 411 T HN 0.702 nan 8.240 nan 0.000 0.533 412 S N -0.345 115.361 115.700 0.011 0.000 2.447 412 S HA -0.081 4.389 4.470 -0.000 0.000 0.233 412 S C 0.936 175.451 174.600 -0.141 0.000 1.006 412 S CA 0.972 59.158 58.200 -0.023 0.000 0.957 412 S CB -0.538 62.660 63.200 -0.002 0.000 0.773 412 S HN 0.719 nan 8.310 nan 0.000 0.507 413 D N -0.365 119.869 120.400 -0.276 0.000 2.327 413 D HA 0.209 4.849 4.640 -0.000 0.000 0.205 413 D C -0.593 175.153 176.300 -0.924 0.000 0.989 413 D CA 0.651 54.235 54.000 -0.693 0.000 0.873 413 D CB 0.257 40.441 40.800 -1.027 0.000 0.955 413 D HN 0.452 nan 8.370 nan 0.000 0.515 414 Y N -0.330 119.895 120.300 -0.124 0.000 2.544 414 Y HA 0.447 4.997 4.550 -0.000 0.000 0.342 414 Y C -0.677 175.032 175.900 -0.319 0.000 1.062 414 Y CA -0.992 56.934 58.100 -0.289 0.000 1.023 414 Y CB 1.960 40.130 38.460 -0.483 0.000 1.308 414 Y HN -0.298 nan 8.280 nan 0.000 0.457 415 L N 2.901 123.981 121.223 -0.238 0.000 2.356 415 L HA 0.658 4.998 4.340 -0.000 0.000 0.277 415 L C -1.964 174.754 176.870 -0.253 0.000 0.996 415 L CA -0.636 54.057 54.840 -0.245 0.000 0.822 415 L CB 1.007 42.851 42.059 -0.357 0.000 1.256 415 L HN 0.648 nan 8.230 nan 0.000 0.413 416 Y N 4.993 125.194 120.300 -0.166 0.000 2.335 416 Y HA 0.502 5.052 4.550 -0.000 0.000 0.338 416 Y C -0.478 175.404 175.900 -0.030 0.000 0.977 416 Y CA -0.466 57.535 58.100 -0.166 0.000 1.114 416 Y CB 1.255 39.497 38.460 -0.363 0.000 1.182 416 Y HN 0.528 nan 8.280 nan 0.000 0.463 417 Y N 0.472 120.818 120.300 0.078 0.000 2.576 417 Y HA 0.855 5.405 4.550 -0.000 0.000 0.346 417 Y C -1.467 174.508 175.900 0.124 0.000 1.018 417 Y CA -1.959 56.185 58.100 0.073 0.000 1.050 417 Y CB 1.275 39.760 38.460 0.042 0.000 1.280 417 Y HN 0.426 nan 8.280 nan 0.000 0.474 418 I N 3.032 123.778 120.570 0.293 0.000 2.412 418 I HA 0.554 4.724 4.170 -0.000 0.000 0.296 418 I C -0.265 176.034 176.117 0.302 0.000 0.987 418 I CA -0.358 61.060 61.300 0.195 0.000 1.180 418 I CB 1.887 39.943 38.000 0.093 0.000 1.340 418 I HN 0.906 nan 8.210 nan 0.000 0.455 419 S N 3.757 119.605 115.700 0.246 0.000 2.732 419 S HA 0.410 4.880 4.470 -0.000 0.000 0.293 419 S C -0.323 174.303 174.600 0.044 0.000 1.159 419 S CA -0.908 57.396 58.200 0.174 0.000 0.847 419 S CB 1.603 64.851 63.200 0.080 0.000 1.169 419 S HN 0.760 nan 8.310 nan 0.000 0.501 420 N N -0.887 117.827 118.700 0.023 0.000 2.321 420 N HA 0.157 4.897 4.740 -0.000 0.000 0.242 420 N C 0.781 176.235 175.510 -0.093 0.000 1.141 420 N CA -0.359 52.676 53.050 -0.025 0.000 0.864 420 N CB 0.360 38.837 38.487 -0.016 0.000 1.100 420 N HN 0.756 nan 8.380 nan 0.000 0.510 421 E N 0.675 120.646 120.200 -0.382 0.000 2.077 421 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 421 E C -0.237 176.220 176.600 -0.238 0.000 0.989 421 E CA 0.510 56.468 56.400 -0.736 0.000 0.800 421 E CB -0.042 28.660 29.700 -1.664 0.000 0.746 421 E HN 0.396 nan 8.360 nan 0.000 0.452 422 Y N 2.157 122.362 120.300 -0.158 0.000 2.916 422 Y HA -0.190 4.360 4.550 -0.000 0.000 0.344 422 Y C 0.365 176.236 175.900 -0.048 0.000 1.282 422 Y CA 0.895 58.961 58.100 -0.057 0.000 1.604 422 Y CB -0.053 38.398 38.460 -0.014 0.000 1.207 422 Y HN 0.084 nan 8.280 nan 0.000 0.561 423 K N 3.419 123.549 120.400 -0.451 0.000 2.960 423 K HA -0.265 4.055 4.320 -0.000 0.000 0.259 423 K C 0.931 177.470 176.600 -0.102 0.000 1.025 423 K CA 0.770 56.843 56.287 -0.357 0.000 0.756 423 K CB -1.867 30.336 32.500 -0.495 0.000 1.221 423 K HN 1.250 nan 8.250 nan 0.000 0.483 424 G N 0.458 109.225 108.800 -0.055 0.000 2.233 424 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.270 424 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.270 424 G C 0.082 175.012 174.900 0.049 0.000 1.011 424 G CA 0.859 45.979 45.100 0.035 0.000 0.762 424 G HN 0.385 nan 8.290 nan 0.000 0.511 425 M N 0.258 119.815 119.600 -0.071 0.000 2.261 425 M HA 0.242 4.722 4.480 -0.000 0.000 0.349 425 M C -1.208 174.867 176.300 -0.375 0.000 1.305 425 M CA -1.882 53.227 55.300 -0.319 0.000 1.240 425 M CB 1.329 33.799 32.600 -0.217 0.000 1.394 425 M HN -0.151 nan 8.290 nan 0.000 0.438 426 P HA -0.112 nan 4.420 nan 0.000 0.221 426 P C 1.093 178.251 177.300 -0.237 0.000 1.145 426 P CA 1.038 63.962 63.100 -0.294 0.000 0.795 426 P CB 0.210 31.716 31.700 -0.323 0.000 0.775 427 G N -1.446 107.158 108.800 -0.326 0.000 3.393 427 G HA2 0.337 4.297 3.960 -0.000 0.000 0.255 427 G HA3 0.337 4.297 3.960 -0.000 0.000 0.255 427 G C 0.616 175.516 174.900 0.001 0.000 1.097 427 G CA 0.045 45.072 45.100 -0.123 0.000 0.780 427 G HN 0.357 nan 8.290 nan 0.000 0.540 428 G N -0.132 108.619 108.800 -0.080 0.000 2.531 428 G HA2 0.660 4.620 3.960 -0.000 0.000 0.313 428 G HA3 0.660 4.620 3.960 -0.000 0.000 0.313 428 G C -0.718 174.052 174.900 -0.216 0.000 1.238 428 G CA -0.752 44.326 45.100 -0.036 0.000 0.994 428 G HN 0.124 nan 8.290 nan 0.000 0.493 429 R N 0.537 120.874 120.500 -0.272 0.000 2.515 429 R HA 0.328 4.668 4.340 -0.000 0.000 0.278 429 R C -1.376 174.848 176.300 -0.126 0.000 1.107 429 R CA -0.693 55.200 56.100 -0.346 0.000 0.945 429 R CB 1.910 31.700 30.300 -0.849 0.000 1.219 429 R HN 0.633 nan 8.270 nan 0.000 0.434 430 N N 1.436 120.098 118.700 -0.062 0.000 2.509 430 N HA 0.414 5.154 4.740 -0.000 0.000 0.280 430 N C -1.309 174.079 175.510 -0.203 0.000 1.306 430 N CA -0.858 52.087 53.050 -0.177 0.000 0.782 430 N CB 2.533 40.791 38.487 -0.382 0.000 1.493 430 N HN 0.222 nan 8.380 nan 0.000 0.498 431 L N 1.900 122.848 121.223 -0.458 0.000 2.272 431 L HA 0.483 4.823 4.340 -0.000 0.000 0.289 431 L C -1.411 175.081 176.870 -0.628 0.000 1.032 431 L CA -0.125 54.478 54.840 -0.396 0.000 0.810 431 L CB -0.081 41.728 42.059 -0.416 0.000 1.205 431 L HN 0.416 nan 8.230 nan 0.000 0.422 432 Y N 3.519 123.470 120.300 -0.583 0.000 2.650 432 Y HA 0.645 5.195 4.550 -0.000 0.000 0.331 432 Y C -0.195 175.354 175.900 -0.585 0.000 1.082 432 Y CA -0.867 56.826 58.100 -0.679 0.000 1.171 432 Y CB 1.469 39.336 38.460 -0.989 0.000 1.326 432 Y HN 0.468 nan 8.280 nan 0.000 0.513 433 K N 1.713 121.941 120.400 -0.286 0.000 2.482 433 K HA 0.642 4.962 4.320 -0.000 0.000 0.251 433 K C -1.947 174.568 176.600 -0.142 0.000 0.936 433 K CA -0.332 55.740 56.287 -0.359 0.000 0.791 433 K CB 1.276 33.523 32.500 -0.423 0.000 1.213 433 K HN 0.690 nan 8.250 nan 0.000 0.428 434 I N 3.107 123.631 120.570 -0.076 0.000 2.530 434 I HA 0.252 4.421 4.170 -0.000 0.000 0.297 434 I C -0.150 176.025 176.117 0.096 0.000 1.011 434 I CA -1.018 60.324 61.300 0.070 0.000 1.107 434 I CB 2.110 40.186 38.000 0.125 0.000 1.285 434 I HN 0.461 nan 8.210 nan 0.000 0.436 435 Q N 4.775 124.653 119.800 0.131 0.000 2.267 435 Q HA 0.340 4.680 4.340 -0.000 0.000 0.255 435 Q C 0.557 176.575 176.000 0.031 0.000 0.923 435 Q CA -0.385 55.466 55.803 0.080 0.000 0.925 435 Q CB 2.053 30.831 28.738 0.066 0.000 1.195 435 Q HN 0.644 nan 8.270 nan 0.000 0.417 436 L N 1.200 122.389 121.223 -0.056 0.000 2.478 436 L HA -0.098 4.242 4.340 -0.000 0.000 0.223 436 L C 2.031 178.830 176.870 -0.119 0.000 1.140 436 L CA 0.667 55.512 54.840 0.009 0.000 0.842 436 L CB -0.215 41.824 42.059 -0.034 0.000 0.953 436 L HN 0.625 nan 8.230 nan 0.000 0.452 437 S N -2.077 113.537 115.700 -0.144 0.000 2.562 437 S HA -0.027 4.443 4.470 -0.000 0.000 0.221 437 S C 0.367 174.841 174.600 -0.210 0.000 0.975 437 S CA 0.056 58.153 58.200 -0.171 0.000 0.918 437 S CB -0.016 63.109 63.200 -0.125 0.000 0.772 437 S HN 0.417 nan 8.310 nan 0.000 0.531 438 D N -0.478 119.797 120.400 -0.208 0.000 2.300 438 D HA 0.155 4.795 4.640 -0.000 0.000 0.218 438 D C -0.456 175.806 176.300 -0.063 0.000 1.326 438 D CA -0.538 53.343 54.000 -0.198 0.000 0.942 438 D CB -0.182 40.559 40.800 -0.097 0.000 1.495 438 D HN -0.063 nan 8.370 nan 0.000 0.545 439 Y N 1.254 121.541 120.300 -0.023 0.000 2.569 439 Y HA -0.077 4.473 4.550 0.000 0.000 0.293 439 Y C 2.531 178.440 175.900 0.015 0.000 1.144 439 Y CA 1.533 59.629 58.100 -0.007 0.000 1.321 439 Y CB -0.869 37.583 38.460 -0.014 0.000 0.982 439 Y HN 0.505 nan 8.280 nan 0.000 0.558 440 T N -2.860 111.771 114.554 0.128 0.000 3.043 440 T HA -0.022 4.328 4.350 -0.000 0.000 0.263 440 T C 0.857 175.607 174.700 0.083 0.000 1.094 440 T CA 0.087 62.243 62.100 0.093 0.000 1.127 440 T CB -0.182 68.715 68.868 0.049 0.000 0.905 440 T HN 0.093 nan 8.240 nan 0.000 0.490 441 K N 2.314 122.759 120.400 0.075 0.000 2.110 441 K HA 0.387 4.707 4.320 -0.000 0.000 0.260 441 K C -1.162 175.488 176.600 0.082 0.000 1.126 441 K CA -0.213 56.112 56.287 0.064 0.000 1.005 441 K CB 0.301 32.828 32.500 0.046 0.000 1.336 441 K HN 0.200 nan 8.250 nan 0.000 0.369 442 V N 2.075 122.039 119.914 0.084 0.000 2.487 442 V HA 0.236 4.356 4.120 -0.000 0.000 0.298 442 V C 0.083 176.215 176.094 0.062 0.000 1.028 442 V CA -0.834 61.522 62.300 0.094 0.000 0.860 442 V CB 1.890 33.801 31.823 0.148 0.000 0.991 442 V HN 0.482 nan 8.190 nan 0.000 0.427 443 T N 3.383 117.943 114.554 0.010 0.000 2.823 443 T HA 0.296 4.646 4.350 -0.000 0.000 0.279 443 T C -0.407 174.233 174.700 -0.099 0.000 0.998 443 T CA -0.236 61.838 62.100 -0.044 0.000 0.994 443 T CB 1.356 70.165 68.868 -0.099 0.000 0.960 443 T HN 0.857 nan 8.240 nan 0.000 0.448 444 C N 5.460 124.642 119.300 -0.197 0.000 2.325 444 C HA 0.473 4.933 4.460 -0.000 0.000 0.347 444 C C 1.528 176.180 174.990 -0.564 0.000 1.263 444 C CA -0.601 58.010 59.018 -0.678 0.000 1.806 444 C CB -1.829 25.428 27.740 -0.805 0.000 2.405 444 C HN 0.983 nan 8.230 nan 0.000 0.537 445 L N 4.785 125.649 121.223 -0.598 0.000 2.529 445 L HA 0.099 4.439 4.340 -0.000 0.000 0.223 445 L C 2.132 178.688 176.870 -0.523 0.000 1.113 445 L CA 0.872 55.442 54.840 -0.449 0.000 0.861 445 L CB -0.163 41.667 42.059 -0.383 0.000 1.012 445 L HN 0.911 nan 8.230 nan 0.000 0.461 446 S N -3.053 112.227 115.700 -0.701 0.000 2.593 446 S HA -0.018 4.452 4.470 -0.000 0.000 0.235 446 S C 1.868 176.061 174.600 -0.678 0.000 1.059 446 S CA -0.046 57.647 58.200 -0.846 0.000 0.953 446 S CB -0.289 62.088 63.200 -1.370 0.000 0.897 446 S HN 0.309 nan 8.310 nan 0.000 0.507 447 C N 2.804 121.690 119.300 -0.690 0.000 2.367 447 C HA -0.047 4.413 4.460 -0.000 0.000 0.276 447 C C 2.282 177.009 174.990 -0.438 0.000 1.195 447 C CA 1.140 59.705 59.018 -0.756 0.000 1.756 447 C CB -1.001 26.047 27.740 -1.153 0.000 2.046 447 C HN 0.593 nan 8.230 nan 0.000 0.453 448 E N 0.545 120.553 120.200 -0.320 0.000 2.437 448 E HA 0.166 4.516 4.350 -0.000 0.000 0.189 448 E C 1.743 178.286 176.600 -0.095 0.000 1.054 448 E CA 0.013 56.324 56.400 -0.149 0.000 0.874 448 E CB -0.229 29.407 29.700 -0.105 0.000 1.011 448 E HN 0.683 nan 8.360 nan 0.000 0.474 449 L N 0.348 121.506 121.223 -0.108 0.000 2.141 449 L HA -0.043 4.297 4.340 -0.000 0.000 0.209 449 L C 0.631 177.507 176.870 0.009 0.000 1.094 449 L CA 0.899 55.714 54.840 -0.042 0.000 0.763 449 L CB 0.066 42.103 42.059 -0.036 0.000 0.908 449 L HN 0.035 nan 8.230 nan 0.000 0.437 450 N N -1.532 117.185 118.700 0.028 0.000 3.029 450 N HA 0.094 4.834 4.740 -0.000 0.000 0.198 450 N C -2.216 173.315 175.510 0.036 0.000 1.444 450 N CA -0.444 52.624 53.050 0.030 0.000 0.784 450 N CB 1.136 39.644 38.487 0.035 0.000 1.539 450 N HN -0.148 nan 8.380 nan 0.000 0.582 451 P HA -0.076 nan 4.420 nan 0.000 0.219 451 P C 0.919 178.261 177.300 0.071 0.000 1.146 451 P CA 1.383 64.523 63.100 0.068 0.000 0.808 451 P CB 0.665 32.417 31.700 0.087 0.000 0.779 452 E N -1.336 118.888 120.200 0.041 0.000 2.190 452 E HA 0.007 4.357 4.350 -0.000 0.000 0.191 452 E C 2.210 178.816 176.600 0.011 0.000 0.978 452 E CA 0.357 56.776 56.400 0.031 0.000 0.839 452 E CB -0.104 29.607 29.700 0.018 0.000 0.787 452 E HN 0.073 nan 8.360 nan 0.000 0.473 453 R N -0.714 119.782 120.500 -0.008 0.000 2.128 453 R HA 0.166 4.506 4.340 -0.000 0.000 0.211 453 R C -0.288 175.968 176.300 -0.073 0.000 1.067 453 R CA 0.537 56.610 56.100 -0.045 0.000 1.010 453 R CB 0.423 30.688 30.300 -0.058 0.000 0.922 453 R HN 0.088 nan 8.270 nan 0.000 0.457 454 c N 0.843 119.407 118.600 -0.061 0.000 2.340 454 c HA 0.441 5.011 4.570 -0.000 0.000 0.323 454 c C 0.005 174.064 174.090 -0.052 0.000 1.260 454 c CA -0.602 55.632 56.329 -0.158 0.000 1.464 454 c CB 1.483 43.871 42.510 -0.203 0.000 2.156 454 c HN 0.543 nan 8.230 nan 0.000 0.476 455 Q N 0.535 120.292 119.800 -0.070 0.000 2.036 455 Q HA 0.174 4.514 4.340 -0.000 0.000 0.208 455 Q C -1.156 174.879 176.000 0.057 0.000 0.770 455 Q CA 0.048 55.883 55.803 0.053 0.000 0.992 455 Q CB 1.254 30.048 28.738 0.093 0.000 1.209 455 Q HN 0.804 nan 8.270 nan 0.000 0.445 456 Y N 0.405 120.573 120.300 -0.221 0.000 2.475 456 Y HA 0.350 4.900 4.550 0.000 0.000 0.343 456 Y C -1.655 174.071 175.900 -0.291 0.000 1.068 456 Y CA -0.945 57.053 58.100 -0.169 0.000 1.307 456 Y CB 0.580 38.961 38.460 -0.131 0.000 1.097 456 Y HN -0.062 nan 8.280 nan 0.000 0.530 457 Y N 2.086 122.291 120.300 -0.159 0.000 2.419 457 Y HA 0.659 5.209 4.550 0.000 0.000 0.328 457 Y C 0.486 176.322 175.900 -0.108 0.000 1.162 457 Y CA -0.280 57.750 58.100 -0.117 0.000 1.174 457 Y CB 2.031 40.391 38.460 -0.167 0.000 1.228 457 Y HN 0.491 nan 8.280 nan 0.000 0.473 458 S N 0.740 116.515 115.700 0.124 0.000 2.627 458 S HA 0.860 5.330 4.470 -0.000 0.000 0.283 458 S C -1.654 173.003 174.600 0.094 0.000 1.127 458 S CA -0.748 57.511 58.200 0.097 0.000 0.863 458 S CB 1.769 65.038 63.200 0.116 0.000 1.121 458 S HN 0.643 nan 8.310 nan 0.000 0.479 459 V N 0.271 120.239 119.914 0.090 0.000 3.114 459 V HA 0.900 5.020 4.120 -0.000 0.000 0.308 459 V C -1.305 174.859 176.094 0.116 0.000 1.168 459 V CA -0.148 62.178 62.300 0.042 0.000 1.015 459 V CB 2.298 34.064 31.823 -0.095 0.000 1.050 459 V HN 1.285 nan 8.190 nan 0.000 0.433 460 S N 4.173 119.935 115.700 0.103 0.000 2.673 460 S HA 0.595 5.065 4.470 -0.000 0.000 0.256 460 S C -1.236 173.579 174.600 0.358 0.000 1.141 460 S CA -0.404 57.973 58.200 0.295 0.000 1.109 460 S CB 0.259 63.660 63.200 0.336 0.000 1.101 460 S HN 0.512 nan 8.310 nan 0.000 0.471 461 F N 3.362 123.415 119.950 0.172 0.000 2.399 461 F HA 0.403 4.930 4.527 -0.000 0.000 0.342 461 F C 1.585 176.995 175.800 -0.649 0.000 1.106 461 F CA -0.129 57.798 58.000 -0.122 0.000 1.196 461 F CB 1.259 40.160 39.000 -0.166 0.000 1.163 461 F HN 0.646 nan 8.300 nan 0.000 0.547 462 S N 2.050 117.069 115.700 -1.135 0.000 2.641 462 S HA 0.172 4.642 4.470 -0.000 0.000 0.251 462 S C -0.118 174.301 174.600 -0.302 0.000 1.332 462 S CA -0.938 56.507 58.200 -1.259 0.000 0.968 462 S CB 0.235 62.779 63.200 -1.093 0.000 0.987 462 S HN 0.534 nan 8.310 nan 0.000 0.587 463 K N 1.149 121.495 120.400 -0.091 0.000 2.436 463 K HA 0.061 4.381 4.320 -0.000 0.000 0.275 463 K C 0.450 177.061 176.600 0.020 0.000 0.999 463 K CA 0.387 56.693 56.287 0.032 0.000 0.980 463 K CB -0.002 32.556 32.500 0.096 0.000 0.919 463 K HN 0.746 nan 8.250 nan 0.000 0.484 464 E N 0.590 120.812 120.200 0.037 0.000 3.253 464 E HA -0.335 4.015 4.350 -0.000 0.000 0.284 464 E C -0.111 176.490 176.600 0.002 0.000 0.958 464 E CA 0.500 56.920 56.400 0.033 0.000 0.917 464 E CB -1.323 28.408 29.700 0.050 0.000 1.466 464 E HN 0.885 nan 8.360 nan 0.000 0.455 465 A N -0.264 122.537 122.820 -0.031 0.000 2.822 465 A HA -0.342 3.978 4.320 -0.000 0.000 0.287 465 A C 1.166 178.758 177.584 0.012 0.000 1.479 465 A CA 1.925 53.950 52.037 -0.021 0.000 0.779 465 A CB -1.639 17.205 19.000 -0.260 0.000 1.022 465 A HN 0.371 nan 8.150 nan 0.000 0.532 466 K N -1.983 118.382 120.400 -0.059 0.000 2.296 466 K HA 0.132 4.452 4.320 -0.000 0.000 0.200 466 K C -0.103 176.152 176.600 -0.575 0.000 1.048 466 K CA 1.361 57.495 56.287 -0.256 0.000 0.966 466 K CB 0.019 32.406 32.500 -0.190 0.000 0.754 466 K HN 0.730 nan 8.250 nan 0.000 0.466 467 Y N -1.306 118.951 120.300 -0.071 0.000 2.625 467 Y HA 0.267 4.817 4.550 -0.000 0.000 0.338 467 Y C -1.135 174.699 175.900 -0.111 0.000 1.123 467 Y CA -1.494 56.548 58.100 -0.097 0.000 1.046 467 Y CB 1.528 39.942 38.460 -0.077 0.000 1.299 467 Y HN -0.080 nan 8.280 nan 0.000 0.464 468 Y N -0.962 119.327 120.300 -0.018 0.000 2.504 468 Y HA 0.528 5.077 4.550 -0.000 0.000 0.344 468 Y C -1.096 174.816 175.900 0.020 0.000 1.023 468 Y CA -1.452 56.463 58.100 -0.308 0.000 1.020 468 Y CB 1.495 39.170 38.460 -1.308 0.000 1.282 468 Y HN 0.585 nan 8.280 nan 0.000 0.454 469 Q N 3.881 123.825 119.800 0.241 0.000 2.274 469 Q HA 0.507 4.847 4.340 -0.000 0.000 0.256 469 Q C -1.619 174.458 176.000 0.129 0.000 0.927 469 Q CA -0.565 55.317 55.803 0.133 0.000 0.939 469 Q CB 1.136 29.908 28.738 0.057 0.000 1.201 469 Q HN 0.966 nan 8.270 nan 0.000 0.426 470 L N 4.062 125.378 121.223 0.155 0.000 2.325 470 L HA 0.542 4.882 4.340 -0.000 0.000 0.279 470 L C -0.103 176.824 176.870 0.096 0.000 1.054 470 L CA -0.556 54.374 54.840 0.150 0.000 0.804 470 L CB 1.510 43.666 42.059 0.162 0.000 1.200 470 L HN 0.606 nan 8.230 nan 0.000 0.436 471 R N 2.996 123.529 120.500 0.054 0.000 2.435 471 R HA 0.360 4.700 4.340 -0.000 0.000 0.308 471 R C -1.110 175.028 176.300 -0.270 0.000 0.975 471 R CA -0.498 55.454 56.100 -0.248 0.000 0.867 471 R CB 1.328 31.503 30.300 -0.209 0.000 1.171 471 R HN 0.722 nan 8.270 nan 0.000 0.470 472 c N 3.065 121.388 118.600 -0.462 0.000 2.369 472 c HA 0.451 5.021 4.570 -0.000 0.000 0.358 472 c C 0.794 174.636 174.090 -0.413 0.000 1.274 472 c CA -0.229 55.709 56.329 -0.653 0.000 1.935 472 c CB 1.052 43.169 42.510 -0.655 0.000 2.431 472 c HN 1.000 nan 8.230 nan 0.000 0.545 473 S N 2.519 118.065 115.700 -0.256 0.000 2.559 473 S HA 0.530 5.000 4.470 -0.000 0.000 0.226 473 S C 0.455 175.000 174.600 -0.091 0.000 1.000 473 S CA 0.499 58.617 58.200 -0.137 0.000 0.948 473 S CB 0.212 63.362 63.200 -0.084 0.000 0.870 473 S HN 1.378 nan 8.310 nan 0.000 0.497 474 G N 1.445 110.182 108.800 -0.105 0.000 2.321 474 G HA2 0.218 4.178 3.960 -0.000 0.000 0.295 474 G HA3 0.218 4.178 3.960 -0.000 0.000 0.295 474 G C -2.952 171.920 174.900 -0.046 0.000 1.314 474 G CA -0.578 44.500 45.100 -0.037 0.000 0.850 474 G HN -0.182 nan 8.290 nan 0.000 0.551 475 P HA 0.118 nan 4.420 nan 0.000 0.225 475 P C 1.444 178.767 177.300 0.038 0.000 1.156 475 P CA 1.417 64.546 63.100 0.047 0.000 0.787 475 P CB 0.220 31.945 31.700 0.042 0.000 0.802 476 G N 0.647 109.398 108.800 -0.082 0.000 2.468 476 G HA2 0.289 4.249 3.960 -0.000 0.000 0.264 476 G HA3 0.289 4.249 3.960 -0.000 0.000 0.264 476 G C -0.076 174.536 174.900 -0.479 0.000 1.460 476 G CA -0.609 44.366 45.100 -0.208 0.000 1.060 476 G HN 0.045 nan 8.290 nan 0.000 0.543 477 L N 1.126 122.015 121.223 -0.557 0.000 2.439 477 L HA 0.205 4.545 4.340 -0.000 0.000 0.269 477 L C -1.946 174.733 176.870 -0.319 0.000 1.179 477 L CA -1.440 53.024 54.840 -0.628 0.000 0.828 477 L CB 0.785 42.586 42.059 -0.430 0.000 1.106 477 L HN 0.223 nan 8.230 nan 0.000 0.467 478 P HA 0.044 nan 4.420 nan 0.000 0.265 478 P C -0.808 176.432 177.300 -0.100 0.000 1.193 478 P CA 0.249 63.258 63.100 -0.152 0.000 0.765 478 P CB 0.519 32.215 31.700 -0.006 0.000 0.823 479 L N 4.740 125.830 121.223 -0.221 0.000 2.372 479 L HA 0.418 4.758 4.340 -0.000 0.000 0.274 479 L C -1.236 175.527 176.870 -0.177 0.000 0.988 479 L CA -0.869 53.910 54.840 -0.102 0.000 0.833 479 L CB 0.848 42.847 42.059 -0.099 0.000 1.236 479 L HN 0.326 nan 8.230 nan 0.000 0.410 480 Y N 2.224 122.475 120.300 -0.082 0.000 2.330 480 Y HA 0.581 5.131 4.550 -0.000 0.000 0.336 480 Y C 0.708 176.492 175.900 -0.193 0.000 1.036 480 Y CA -0.676 57.355 58.100 -0.115 0.000 1.125 480 Y CB 2.001 40.373 38.460 -0.147 0.000 1.194 480 Y HN 0.515 nan 8.280 nan 0.000 0.469 481 T N 0.768 115.308 114.554 -0.023 0.000 2.906 481 T HA 0.714 5.064 4.350 -0.000 0.000 0.295 481 T C -1.384 173.206 174.700 -0.183 0.000 1.075 481 T CA -0.874 61.146 62.100 -0.134 0.000 1.005 481 T CB 2.014 70.861 68.868 -0.035 0.000 1.136 481 T HN 0.368 nan 8.240 nan 0.000 0.498 482 L N 0.946 121.952 121.223 -0.361 0.000 2.330 482 L HA 0.793 5.133 4.340 -0.000 0.000 0.271 482 L C -1.012 175.509 176.870 -0.581 0.000 1.013 482 L CA -0.273 54.389 54.840 -0.297 0.000 0.816 482 L CB 1.573 43.506 42.059 -0.209 0.000 1.287 482 L HN 0.943 nan 8.230 nan 0.000 0.435 483 H N -0.405 118.466 119.070 -0.331 0.000 3.008 483 H HA 0.612 5.168 4.556 -0.000 0.000 0.354 483 H C -1.190 173.975 175.328 -0.271 0.000 1.252 483 H CA -0.645 55.119 56.048 -0.473 0.000 1.117 483 H CB 1.911 31.026 29.762 -1.077 0.000 1.857 483 H HN 0.490 nan 8.280 nan 0.000 0.547 484 S N -0.093 115.571 115.700 -0.060 0.000 2.472 484 S HA 0.316 4.786 4.470 -0.000 0.000 0.303 484 S C 0.256 174.791 174.600 -0.109 0.000 1.099 484 S CA -0.507 57.643 58.200 -0.083 0.000 1.077 484 S CB 1.295 64.480 63.200 -0.026 0.000 1.031 484 S HN 0.592 nan 8.310 nan 0.000 0.487 485 S N 2.954 118.574 115.700 -0.133 0.000 2.458 485 S HA -0.017 4.453 4.470 -0.000 0.000 0.223 485 S C 1.932 176.536 174.600 0.007 0.000 1.019 485 S CA 0.780 59.020 58.200 0.066 0.000 0.937 485 S CB -0.270 63.002 63.200 0.119 0.000 0.788 485 S HN 0.685 nan 8.310 nan 0.000 0.511 486 V N 2.124 122.001 119.914 -0.062 0.000 2.324 486 V HA -0.203 3.917 4.120 -0.000 0.000 0.250 486 V C 1.051 177.142 176.094 -0.004 0.000 1.060 486 V CA 1.874 64.163 62.300 -0.018 0.000 1.042 486 V CB -0.742 31.062 31.823 -0.031 0.000 0.650 486 V HN 0.478 nan 8.190 nan 0.000 0.450 487 N N -1.673 117.021 118.700 -0.010 0.000 2.241 487 N HA 0.157 4.897 4.740 -0.000 0.000 0.238 487 N C -0.528 174.982 175.510 0.001 0.000 1.244 487 N CA -0.033 53.014 53.050 -0.006 0.000 0.880 487 N CB 0.609 39.096 38.487 -0.001 0.000 1.179 487 N HN 0.253 nan 8.380 nan 0.000 0.513 488 D N 1.155 121.570 120.400 0.025 0.000 2.708 488 D HA -0.203 4.437 4.640 -0.000 0.000 0.236 488 D C -0.090 176.241 176.300 0.051 0.000 1.146 488 D CA 1.128 55.167 54.000 0.066 0.000 0.662 488 D CB -0.472 40.353 40.800 0.042 0.000 1.059 488 D HN 0.437 nan 8.370 nan 0.000 0.428 489 K N 0.173 120.596 120.400 0.038 0.000 2.144 489 K HA 0.451 4.771 4.320 -0.000 0.000 0.270 489 K C 0.593 177.236 176.600 0.072 0.000 1.005 489 K CA -0.240 56.072 56.287 0.040 0.000 0.932 489 K CB 0.990 33.495 32.500 0.008 0.000 1.021 489 K HN 0.059 nan 8.250 nan 0.000 0.462 490 G N 3.887 112.715 108.800 0.047 0.000 2.349 490 G HA2 0.186 4.146 3.960 -0.000 0.000 0.281 490 G HA3 0.186 4.146 3.960 -0.000 0.000 0.281 490 G C 0.528 175.313 174.900 -0.191 0.000 1.182 490 G CA -0.448 44.570 45.100 -0.136 0.000 0.899 490 G HN 0.692 nan 8.290 nan 0.000 0.455 491 L N 1.584 122.632 121.223 -0.292 0.000 2.084 491 L HA 0.259 4.599 4.340 -0.000 0.000 0.202 491 L C 1.997 178.774 176.870 -0.155 0.000 1.074 491 L CA 0.986 55.726 54.840 -0.167 0.000 0.757 491 L CB -0.038 41.942 42.059 -0.132 0.000 0.918 491 L HN 0.503 nan 8.230 nan 0.000 0.444 492 R N -2.686 117.682 120.500 -0.221 0.000 3.444 492 R HA 0.628 4.968 4.340 -0.000 0.000 0.255 492 R C -1.604 174.574 176.300 -0.204 0.000 1.246 492 R CA -0.724 55.274 56.100 -0.170 0.000 0.990 492 R CB 1.847 32.052 30.300 -0.157 0.000 1.503 492 R HN -0.336 nan 8.270 nan 0.000 0.449 493 V N 1.557 121.362 119.914 -0.183 0.000 2.711 493 V HA 0.241 4.361 4.120 -0.000 0.000 0.304 493 V C -0.080 175.874 176.094 -0.233 0.000 1.097 493 V CA -0.463 61.730 62.300 -0.178 0.000 0.906 493 V CB 2.019 33.775 31.823 -0.111 0.000 1.015 493 V HN 0.565 nan 8.190 nan 0.000 0.427 494 L N 2.316 123.335 121.223 -0.340 0.000 2.357 494 L HA 0.436 4.776 4.340 -0.000 0.000 0.211 494 L C 0.513 177.128 176.870 -0.425 0.000 1.075 494 L CA 0.577 55.050 54.840 -0.613 0.000 0.830 494 L CB 0.384 41.696 42.059 -1.244 0.000 0.996 494 L HN 0.682 nan 8.230 nan 0.000 0.467 495 E N -0.028 120.056 120.200 -0.194 0.000 2.415 495 E HA 0.078 4.428 4.350 -0.000 0.000 0.302 495 E C -1.055 175.579 176.600 0.057 0.000 0.907 495 E CA -0.295 56.084 56.400 -0.036 0.000 0.798 495 E CB 0.933 30.613 29.700 -0.033 0.000 1.315 495 E HN 0.162 nan 8.360 nan 0.000 0.396 496 D N 3.107 123.522 120.400 0.025 0.000 2.398 496 D HA 0.128 4.768 4.640 -0.000 0.000 0.210 496 D C -0.102 176.206 176.300 0.012 0.000 1.094 496 D CA -0.158 53.852 54.000 0.017 0.000 0.839 496 D CB 0.043 40.835 40.800 -0.013 0.000 0.963 496 D HN 0.452 nan 8.370 nan 0.000 0.506 497 N N 0.165 118.884 118.700 0.032 0.000 2.725 497 N HA -0.220 4.520 4.740 -0.000 0.000 0.249 497 N C 0.908 176.421 175.510 0.005 0.000 1.103 497 N CA 0.865 53.930 53.050 0.024 0.000 0.707 497 N CB -1.259 37.235 38.487 0.012 0.000 1.043 497 N HN 0.460 nan 8.380 nan 0.000 0.553 498 S N -0.796 114.908 115.700 0.007 0.000 2.370 498 S HA -0.141 4.329 4.470 -0.000 0.000 0.226 498 S C 2.144 176.755 174.600 0.018 0.000 1.033 498 S CA 1.262 59.464 58.200 0.003 0.000 1.011 498 S CB -0.352 62.851 63.200 0.005 0.000 0.852 498 S HN 0.532 nan 8.310 nan 0.000 0.457 499 A N 2.362 125.201 122.820 0.032 0.000 1.873 499 A HA -0.026 4.294 4.320 -0.000 0.000 0.218 499 A C 2.292 179.914 177.584 0.064 0.000 1.193 499 A CA 1.668 53.734 52.037 0.048 0.000 0.629 499 A CB -1.075 17.957 19.000 0.054 0.000 0.826 499 A HN 0.517 nan 8.150 nan 0.000 0.447 500 L N -0.627 120.635 121.223 0.065 0.000 2.042 500 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 500 L C 2.366 179.262 176.870 0.043 0.000 1.076 500 L CA 2.520 57.410 54.840 0.084 0.000 0.749 500 L CB -0.579 41.522 42.059 0.071 0.000 0.893 500 L HN 0.495 nan 8.230 nan 0.000 0.432 501 D N -0.091 120.311 120.400 0.004 0.000 2.133 501 D HA -0.233 4.407 4.640 -0.000 0.000 0.195 501 D C 2.169 178.471 176.300 0.004 0.000 0.997 501 D CA 1.536 55.525 54.000 -0.018 0.000 0.840 501 D CB 0.141 40.922 40.800 -0.032 0.000 0.947 501 D HN 0.196 nan 8.370 nan 0.000 0.452 502 K N -0.662 119.752 120.400 0.024 0.000 2.026 502 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 502 K C 2.382 179.013 176.600 0.052 0.000 1.048 502 K CA 1.076 57.383 56.287 0.034 0.000 0.929 502 K CB -0.160 32.363 32.500 0.038 0.000 0.713 502 K HN 0.233 nan 8.250 nan 0.000 0.439 503 M N 0.656 120.308 119.600 0.086 0.000 2.108 503 M HA -0.192 4.288 4.480 -0.000 0.000 0.261 503 M C 2.104 178.434 176.300 0.049 0.000 1.066 503 M CA 1.558 56.944 55.300 0.142 0.000 1.107 503 M CB -0.258 32.514 32.600 0.287 0.000 1.356 503 M HN 0.153 nan 8.290 nan 0.000 0.406 504 L N -0.564 120.641 121.223 -0.030 0.000 2.141 504 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 504 L C 2.384 179.213 176.870 -0.068 0.000 1.094 504 L CA 1.026 55.789 54.840 -0.129 0.000 0.763 504 L CB -0.533 41.468 42.059 -0.098 0.000 0.908 504 L HN 0.370 nan 8.230 nan 0.000 0.437 505 Q N 0.011 119.798 119.800 -0.022 0.000 2.248 505 Q HA -0.192 4.148 4.340 -0.000 0.000 0.208 505 Q C 1.115 177.120 176.000 0.007 0.000 0.984 505 Q CA 1.168 56.968 55.803 -0.005 0.000 0.875 505 Q CB -0.067 28.675 28.738 0.008 0.000 0.910 505 Q HN 0.480 nan 8.270 nan 0.000 0.433 506 N N 0.041 118.752 118.700 0.019 0.000 2.421 506 N HA 0.028 4.768 4.740 -0.000 0.000 0.201 506 N C -0.379 175.156 175.510 0.042 0.000 1.198 506 N CA 0.186 53.262 53.050 0.043 0.000 0.838 506 N CB 0.796 39.328 38.487 0.075 0.000 1.011 506 N HN 0.050 nan 8.380 nan 0.000 0.463 507 V N -0.394 119.522 119.914 0.004 0.000 2.971 507 V HA 0.258 4.378 4.120 -0.000 0.000 0.309 507 V C -1.055 175.036 176.094 -0.005 0.000 1.130 507 V CA -0.884 61.423 62.300 0.012 0.000 0.964 507 V CB 2.343 34.149 31.823 -0.028 0.000 1.029 507 V HN -0.033 nan 8.190 nan 0.000 0.427 508 Q N 5.646 125.455 119.800 0.016 0.000 2.837 508 Q HA 0.312 4.652 4.340 -0.000 0.000 0.235 508 Q C -0.309 175.659 176.000 -0.053 0.000 1.348 508 Q CA -0.246 55.535 55.803 -0.036 0.000 0.990 508 Q CB 0.341 29.067 28.738 -0.020 0.000 1.570 508 Q HN 0.613 nan 8.270 nan 0.000 0.575 509 M N 2.856 122.409 119.600 -0.078 0.000 2.243 509 M HA 0.250 4.730 4.480 -0.000 0.000 0.341 509 M C -1.970 174.258 176.300 -0.120 0.000 1.130 509 M CA -2.194 53.045 55.300 -0.101 0.000 1.162 509 M CB -0.343 32.197 32.600 -0.101 0.000 1.497 509 M HN 0.245 nan 8.290 nan 0.000 0.456 510 P HA 0.321 nan 4.420 nan 0.000 0.278 510 P C -0.815 176.400 177.300 -0.141 0.000 1.266 510 P CA -0.467 62.545 63.100 -0.147 0.000 0.807 510 P CB 0.573 32.177 31.700 -0.160 0.000 1.094 511 S N -1.149 114.459 115.700 -0.155 0.000 2.689 511 S HA 0.678 5.148 4.470 -0.000 0.000 0.306 511 S C -0.681 173.825 174.600 -0.155 0.000 1.104 511 S CA -0.785 57.336 58.200 -0.131 0.000 0.973 511 S CB 1.760 64.886 63.200 -0.123 0.000 1.121 511 S HN 0.458 nan 8.310 nan 0.000 0.523 512 K N 0.372 120.703 120.400 -0.114 0.000 2.345 512 K HA 0.441 4.761 4.320 -0.000 0.000 0.255 512 K C -1.366 175.183 176.600 -0.086 0.000 0.934 512 K CA -0.562 55.664 56.287 -0.102 0.000 0.801 512 K CB 1.473 33.933 32.500 -0.066 0.000 1.137 512 K HN 0.672 nan 8.250 nan 0.000 0.424 513 K N 5.243 125.591 120.400 -0.088 0.000 2.274 513 K HA 0.367 4.687 4.320 -0.000 0.000 0.262 513 K C -1.410 175.162 176.600 -0.046 0.000 0.961 513 K CA -0.678 55.571 56.287 -0.064 0.000 0.833 513 K CB 1.084 33.541 32.500 -0.072 0.000 1.102 513 K HN 0.585 nan 8.250 nan 0.000 0.436 514 L N 4.044 125.252 121.223 -0.026 0.000 2.333 514 L HA 0.443 4.783 4.340 -0.000 0.000 0.280 514 L C -1.047 175.831 176.870 0.014 0.000 1.004 514 L CA -0.170 54.683 54.840 0.021 0.000 0.820 514 L CB 1.454 43.577 42.059 0.107 0.000 1.247 514 L HN 0.833 nan 8.230 nan 0.000 0.416 515 D N 2.477 122.778 120.400 -0.166 0.000 2.970 515 D HA 0.481 5.121 4.640 -0.000 0.000 0.344 515 D C -1.648 174.337 176.300 -0.526 0.000 1.365 515 D CA 0.060 53.856 54.000 -0.339 0.000 0.910 515 D CB 1.720 42.266 40.800 -0.424 0.000 1.445 515 D HN 0.208 nan 8.370 nan 0.000 0.532 516 F N -0.175 119.472 119.950 -0.506 0.000 2.645 516 F HA 0.736 5.263 4.527 -0.000 0.000 0.310 516 F C -0.840 175.018 175.800 0.096 0.000 1.102 516 F CA -1.047 56.715 58.000 -0.396 0.000 0.952 516 F CB 0.733 39.006 39.000 -1.212 0.000 1.326 516 F HN 0.315 nan 8.300 nan 0.000 0.456 517 I N 0.186 121.064 120.570 0.514 0.000 3.170 517 I HA 0.709 4.879 4.170 -0.000 0.000 0.312 517 I C -1.157 175.192 176.117 0.387 0.000 1.085 517 I CA -1.336 60.194 61.300 0.385 0.000 0.999 517 I CB 2.253 40.420 38.000 0.279 0.000 1.233 517 I HN 0.441 nan 8.210 nan 0.000 0.467 518 I N 3.142 123.875 120.570 0.272 0.000 2.441 518 I HA 0.509 4.679 4.170 -0.000 0.000 0.295 518 I C -0.890 175.363 176.117 0.227 0.000 0.994 518 I CA -0.616 60.821 61.300 0.229 0.000 1.144 518 I CB 1.572 39.663 38.000 0.152 0.000 1.314 518 I HN 0.408 nan 8.210 nan 0.000 0.445 519 L N 6.054 127.456 121.223 0.297 0.000 2.446 519 L HA 0.421 4.761 4.340 -0.000 0.000 0.268 519 L C -0.267 176.729 176.870 0.209 0.000 0.975 519 L CA -0.178 54.802 54.840 0.233 0.000 0.848 519 L CB 0.863 43.077 42.059 0.258 0.000 1.225 519 L HN 0.486 nan 8.230 nan 0.000 0.410 520 N N 3.442 122.206 118.700 0.108 0.000 2.671 520 N HA -0.225 4.515 4.740 -0.000 0.000 0.261 520 N C 0.659 176.216 175.510 0.077 0.000 1.053 520 N CA 1.309 54.404 53.050 0.075 0.000 0.732 520 N CB -0.565 37.957 38.487 0.058 0.000 0.887 520 N HN 0.861 nan 8.380 nan 0.000 0.546 521 E N -3.475 116.762 120.200 0.062 0.000 3.975 521 E HA -0.252 4.098 4.350 -0.000 0.000 0.342 521 E C -0.576 176.031 176.600 0.013 0.000 0.677 521 E CA 1.720 58.140 56.400 0.033 0.000 1.238 521 E CB -0.887 28.824 29.700 0.017 0.000 1.665 521 E HN 0.576 nan 8.360 nan 0.000 0.429 522 T N 0.428 115.007 114.554 0.043 0.000 2.888 522 T HA 0.393 4.743 4.350 -0.000 0.000 0.284 522 T C -0.203 174.397 174.700 -0.166 0.000 1.017 522 T CA -0.713 61.327 62.100 -0.101 0.000 1.022 522 T CB 1.816 70.574 68.868 -0.183 0.000 1.013 522 T HN -0.030 nan 8.240 nan 0.000 0.465 523 K N 1.857 122.039 120.400 -0.364 0.000 2.312 523 K HA 0.402 4.722 4.320 -0.000 0.000 0.287 523 K C -1.210 175.081 176.600 -0.515 0.000 1.062 523 K CA -0.006 56.053 56.287 -0.379 0.000 0.934 523 K CB 0.332 32.521 32.500 -0.518 0.000 1.027 523 K HN 0.413 nan 8.250 nan 0.000 0.478 524 F N 2.173 122.160 119.950 0.061 0.000 2.518 524 F HA 0.315 4.842 4.527 0.000 0.000 0.323 524 F C -0.370 175.523 175.800 0.155 0.000 1.129 524 F CA -0.884 57.179 58.000 0.105 0.000 0.920 524 F CB 0.958 40.020 39.000 0.104 0.000 1.160 524 F HN 0.443 nan 8.300 nan 0.000 0.440 525 W N 3.161 124.605 121.300 0.240 0.000 2.183 525 W HA 0.515 5.175 4.660 -0.000 0.000 0.348 525 W C -0.541 176.178 176.519 0.332 0.000 1.257 525 W CA -0.398 57.107 57.345 0.267 0.000 1.324 525 W CB 0.449 29.997 29.460 0.146 0.000 1.144 525 W HN 0.465 nan 8.180 nan 0.000 0.622 526 Y N -1.045 119.601 120.300 0.578 0.000 2.670 526 Y HA 0.612 5.162 4.550 -0.000 0.000 0.334 526 Y C -1.109 175.031 175.900 0.401 0.000 1.185 526 Y CA -1.882 56.544 58.100 0.543 0.000 1.053 526 Y CB 0.983 39.921 38.460 0.796 0.000 1.298 526 Y HN 0.561 nan 8.280 nan 0.000 0.459 527 Q N 1.964 122.015 119.800 0.418 0.000 2.423 527 Q HA 0.774 5.114 4.340 -0.000 0.000 0.278 527 Q C -1.709 174.431 176.000 0.233 0.000 1.097 527 Q CA -1.187 54.740 55.803 0.206 0.000 0.809 527 Q CB 3.417 32.231 28.738 0.127 0.000 1.391 527 Q HN 0.821 nan 8.270 nan 0.000 0.428 528 M N 2.181 121.839 119.600 0.097 0.000 2.464 528 M HA 0.509 4.989 4.480 -0.000 0.000 0.308 528 M C -1.103 175.140 176.300 -0.095 0.000 1.127 528 M CA -0.715 54.575 55.300 -0.017 0.000 0.913 528 M CB 2.444 34.997 32.600 -0.078 0.000 1.689 528 M HN 0.612 nan 8.290 nan 0.000 0.445 529 I N 4.509 125.011 120.570 -0.113 0.000 2.337 529 I HA 0.340 4.510 4.170 -0.000 0.000 0.285 529 I C -0.864 175.115 176.117 -0.229 0.000 1.041 529 I CA -0.440 60.769 61.300 -0.153 0.000 1.199 529 I CB 0.549 38.484 38.000 -0.108 0.000 1.370 529 I HN 0.496 nan 8.210 nan 0.000 0.470 530 L N 8.125 129.149 121.223 -0.331 0.000 2.325 530 L HA 0.514 4.854 4.340 -0.000 0.000 0.279 530 L C -2.257 174.417 176.870 -0.326 0.000 1.054 530 L CA -1.928 52.612 54.840 -0.500 0.000 0.804 530 L CB 0.543 42.082 42.059 -0.867 0.000 1.200 530 L HN 0.248 nan 8.230 nan 0.000 0.436 531 P HA 0.134 nan 4.420 nan 0.000 0.271 531 P C -2.536 174.724 177.300 -0.066 0.000 1.233 531 P CA -1.104 61.932 63.100 -0.107 0.000 0.789 531 P CB -0.256 31.444 31.700 0.001 0.000 0.951 532 P HA 0.071 nan 4.420 nan 0.000 0.272 532 P C -0.537 176.702 177.300 -0.101 0.000 1.223 532 P CA 0.074 63.057 63.100 -0.194 0.000 0.784 532 P CB -0.219 31.292 31.700 -0.315 0.000 0.923 533 H N -2.320 116.790 119.070 0.066 0.000 2.692 533 H HA -0.226 4.330 4.556 -0.000 0.000 0.316 533 H C -0.014 175.377 175.328 0.105 0.000 1.176 533 H CA -0.295 55.794 56.048 0.068 0.000 1.142 533 H CB -2.215 27.579 29.762 0.053 0.000 1.475 533 H HN 0.302 nan 8.280 nan 0.000 0.423 534 F N 2.192 122.143 119.950 0.000 0.000 2.602 534 F HA 0.192 4.719 4.527 -0.000 0.000 0.367 534 F C 0.495 176.295 175.800 -0.000 0.000 1.126 534 F CA -0.163 57.787 58.000 -0.083 0.000 1.321 534 F CB 0.640 39.495 39.000 -0.240 0.000 1.094 534 F HN 0.321 nan 8.300 nan 0.000 0.594 535 D N 5.162 125.145 120.400 -0.694 0.000 2.686 535 D HA 0.153 4.793 4.640 -0.000 0.000 0.249 535 D C 0.131 176.016 176.300 -0.692 0.000 1.260 535 D CA -0.626 53.066 54.000 -0.512 0.000 0.910 535 D CB 1.276 41.981 40.800 -0.158 0.000 1.323 535 D HN 0.663 nan 8.370 nan 0.000 0.561 536 K N 1.309 121.338 120.400 -0.619 0.000 2.555 536 K HA -0.035 4.285 4.320 -0.000 0.000 0.193 536 K C 0.806 177.387 176.600 -0.032 0.000 1.032 536 K CA 0.674 56.763 56.287 -0.330 0.000 1.004 536 K CB -0.061 32.352 32.500 -0.145 0.000 0.804 536 K HN 0.206 nan 8.250 nan 0.000 0.496 537 S N -0.142 115.515 115.700 -0.071 0.000 2.575 537 S HA 0.133 4.603 4.470 -0.000 0.000 0.215 537 S C 0.313 174.893 174.600 -0.034 0.000 0.966 537 S CA -0.372 57.813 58.200 -0.026 0.000 0.911 537 S CB 0.050 63.227 63.200 -0.038 0.000 0.780 537 S HN 0.190 nan 8.310 nan 0.000 0.514 538 K N 1.205 121.574 120.400 -0.052 0.000 2.139 538 K HA 0.460 4.780 4.320 -0.000 0.000 0.243 538 K C -0.518 176.051 176.600 -0.052 0.000 0.983 538 K CA -0.674 55.541 56.287 -0.121 0.000 0.890 538 K CB 0.867 33.199 32.500 -0.281 0.000 1.090 538 K HN 0.041 nan 8.250 nan 0.000 0.445 539 K N 2.124 122.439 120.400 -0.142 0.000 2.235 539 K HA 0.273 4.593 4.320 -0.000 0.000 0.266 539 K C -1.184 175.315 176.600 -0.169 0.000 0.980 539 K CA -0.577 55.687 56.287 -0.039 0.000 0.849 539 K CB 1.056 33.526 32.500 -0.050 0.000 1.098 539 K HN 0.399 nan 8.250 nan 0.000 0.445 540 Y N 2.683 123.017 120.300 0.057 0.000 2.387 540 Y HA 0.248 4.798 4.550 -0.000 0.000 0.336 540 Y C -1.919 173.927 175.900 -0.089 0.000 1.067 540 Y CA -2.624 55.486 58.100 0.017 0.000 1.114 540 Y CB 0.875 39.413 38.460 0.130 0.000 1.208 540 Y HN 0.461 nan 8.280 nan 0.000 0.458 541 P HA 0.080 nan 4.420 nan 0.000 0.268 541 P C -0.956 176.214 177.300 -0.218 0.000 1.205 541 P CA -0.006 62.834 63.100 -0.435 0.000 0.771 541 P CB 1.375 32.485 31.700 -0.983 0.000 0.858 542 L N 3.814 124.948 121.223 -0.148 0.000 2.356 542 L HA 0.488 4.828 4.340 -0.000 0.000 0.277 542 L C -0.832 176.197 176.870 0.264 0.000 0.996 542 L CA -1.097 53.784 54.840 0.067 0.000 0.822 542 L CB 1.437 43.533 42.059 0.062 0.000 1.256 542 L HN 0.273 nan 8.230 nan 0.000 0.413 543 L N 5.650 127.051 121.223 0.297 0.000 2.272 543 L HA 0.411 4.751 4.340 -0.000 0.000 0.289 543 L C -0.971 176.115 176.870 0.360 0.000 1.032 543 L CA -0.832 54.243 54.840 0.391 0.000 0.810 543 L CB 1.561 43.823 42.059 0.338 0.000 1.205 543 L HN 0.642 nan 8.230 nan 0.000 0.422 544 L N 5.469 126.942 121.223 0.417 0.000 2.268 544 L HA 0.293 4.633 4.340 -0.000 0.000 0.289 544 L C -0.219 176.845 176.870 0.323 0.000 1.064 544 L CA 0.068 55.136 54.840 0.380 0.000 0.824 544 L CB 0.606 42.926 42.059 0.435 0.000 1.202 544 L HN 0.504 nan 8.230 nan 0.000 0.433 545 D N 4.248 124.815 120.400 0.278 0.000 2.336 545 D HA 0.174 4.814 4.640 -0.000 0.000 0.249 545 D C -0.909 175.439 176.300 0.080 0.000 1.213 545 D CA 0.198 54.265 54.000 0.111 0.000 0.870 545 D CB 1.215 42.136 40.800 0.202 0.000 1.076 545 D HN 0.335 nan 8.370 nan 0.000 0.483 546 V N 5.689 125.591 119.914 -0.021 0.000 2.680 546 V HA 0.402 4.522 4.120 -0.000 0.000 0.309 546 V C -0.991 175.195 176.094 0.153 0.000 1.052 546 V CA -0.470 61.894 62.300 0.107 0.000 0.908 546 V CB 1.749 33.639 31.823 0.113 0.000 1.001 546 V HN 0.616 nan 8.190 nan 0.000 0.431 547 Y N 5.457 125.821 120.300 0.107 0.000 2.972 547 Y HA 0.612 5.162 4.550 -0.000 0.000 0.211 547 Y C 1.588 177.638 175.900 0.250 0.000 0.969 547 Y CA 1.509 59.704 58.100 0.159 0.000 1.574 547 Y CB 0.064 38.601 38.460 0.128 0.000 1.364 547 Y HN 1.255 nan 8.280 nan 0.000 0.467 548 A N 0.580 123.525 122.820 0.208 0.000 2.887 548 A HA -0.117 4.203 4.320 -0.000 0.000 0.257 548 A C 0.874 178.322 177.584 -0.226 0.000 1.372 548 A CA 0.809 52.902 52.037 0.093 0.000 0.879 548 A CB -2.428 16.684 19.000 0.187 0.000 1.082 548 A HN 0.962 nan 8.150 nan 0.000 0.703 549 G N -0.763 107.647 108.800 -0.650 0.000 2.606 549 G HA2 0.507 4.467 3.960 -0.000 0.000 0.252 549 G HA3 0.507 4.467 3.960 -0.000 0.000 0.252 549 G C -2.174 172.410 174.900 -0.527 0.000 1.206 549 G CA -0.893 43.454 45.100 -1.254 0.000 0.861 549 G HN 0.290 nan 8.290 nan 0.000 0.561 550 P HA 0.025 nan 4.420 nan 0.000 0.262 550 P C 0.684 177.825 177.300 -0.264 0.000 1.182 550 P CA 0.065 62.859 63.100 -0.509 0.000 0.761 550 P CB 0.570 31.546 31.700 -1.207 0.000 0.795 551 C N 2.611 121.813 119.300 -0.165 0.000 4.365 551 C HA -0.139 4.321 4.460 -0.000 0.000 0.299 551 C C 0.855 175.838 174.990 -0.011 0.000 1.409 551 C CA 1.091 59.975 59.018 -0.222 0.000 2.007 551 C CB -2.753 24.725 27.740 -0.437 0.000 1.264 551 C HN 0.774 nan 8.230 nan 0.000 0.777 552 S N -0.171 115.589 115.700 0.100 0.000 2.722 552 S HA 0.721 5.191 4.470 -0.000 0.000 0.292 552 S C -0.732 174.027 174.600 0.265 0.000 1.135 552 S CA -0.255 58.112 58.200 0.279 0.000 1.003 552 S CB 1.823 65.273 63.200 0.416 0.000 1.067 552 S HN 0.809 nan 8.310 nan 0.000 0.546 553 Q N -0.238 119.757 119.800 0.325 0.000 2.309 553 Q HA 0.367 4.707 4.340 -0.000 0.000 0.254 553 Q C -0.772 175.355 176.000 0.211 0.000 0.938 553 Q CA -0.565 55.415 55.803 0.294 0.000 0.789 553 Q CB 1.172 30.151 28.738 0.402 0.000 1.313 553 Q HN 0.655 nan 8.270 nan 0.000 0.438 554 K N 1.061 121.578 120.400 0.195 0.000 2.360 554 K HA 0.340 4.660 4.320 -0.000 0.000 0.196 554 K C -0.395 176.299 176.600 0.157 0.000 1.049 554 K CA 0.381 56.770 56.287 0.170 0.000 1.049 554 K CB 1.385 34.009 32.500 0.208 0.000 0.881 554 K HN 0.541 nan 8.250 nan 0.000 0.542 555 A N 2.741 125.661 122.820 0.168 0.000 2.256 555 A HA 0.439 4.759 4.320 -0.000 0.000 0.317 555 A C -0.706 176.928 177.584 0.084 0.000 1.318 555 A CA -0.492 51.641 52.037 0.159 0.000 0.894 555 A CB 0.249 19.399 19.000 0.250 0.000 1.165 555 A HN 0.258 nan 8.150 nan 0.000 0.525 556 D N 0.024 120.450 120.400 0.045 0.000 2.921 556 D HA 0.403 5.043 4.640 -0.000 0.000 0.329 556 D C 0.395 176.695 176.300 0.001 0.000 1.293 556 D CA 0.375 54.385 54.000 0.017 0.000 0.964 556 D CB 0.180 40.993 40.800 0.022 0.000 1.435 556 D HN 0.208 nan 8.370 nan 0.000 0.548 557 T N -2.408 112.161 114.554 0.025 0.000 3.134 557 T HA 0.311 4.661 4.350 -0.000 0.000 0.260 557 T C 0.641 175.314 174.700 -0.045 0.000 1.027 557 T CA -0.014 62.103 62.100 0.029 0.000 0.913 557 T CB -0.575 68.358 68.868 0.109 0.000 1.046 557 T HN 0.518 nan 8.240 nan 0.000 0.553 558 V N 1.272 121.062 119.914 -0.206 0.000 2.732 558 V HA 0.621 4.741 4.120 -0.000 0.000 0.297 558 V C -0.353 175.705 176.094 -0.061 0.000 1.060 558 V CA -1.329 60.831 62.300 -0.234 0.000 1.038 558 V CB 0.697 32.213 31.823 -0.512 0.000 1.003 558 V HN 0.431 nan 8.190 nan 0.000 0.481 559 F N 7.275 127.135 119.950 -0.149 0.000 2.424 559 F HA 0.663 5.190 4.527 -0.000 0.000 0.356 559 F C 0.403 176.148 175.800 -0.091 0.000 1.110 559 F CA -0.258 57.677 58.000 -0.108 0.000 1.161 559 F CB 0.413 39.357 39.000 -0.093 0.000 1.115 559 F HN 0.597 nan 8.300 nan 0.000 0.507 560 R N 6.360 126.523 120.500 -0.562 0.000 2.744 560 R HA 0.600 4.940 4.340 -0.000 0.000 0.279 560 R C -1.645 174.318 176.300 -0.562 0.000 0.977 560 R CA -1.136 54.734 56.100 -0.383 0.000 0.906 560 R CB 2.220 32.401 30.300 -0.198 0.000 1.197 560 R HN 0.663 nan 8.270 nan 0.000 0.463 561 L N 3.400 124.453 121.223 -0.283 0.000 2.318 561 L HA 0.454 4.794 4.340 -0.000 0.000 0.277 561 L C -0.282 176.586 176.870 -0.004 0.000 1.008 561 L CA -0.291 54.416 54.840 -0.221 0.000 0.846 561 L CB 0.734 42.757 42.059 -0.060 0.000 1.220 561 L HN 0.843 nan 8.230 nan 0.000 0.423 562 N N -0.202 118.437 118.700 -0.103 0.000 3.344 562 N HA 0.155 4.895 4.740 -0.000 0.000 0.296 562 N C 0.125 175.383 175.510 -0.420 0.000 1.571 562 N CA -0.905 51.986 53.050 -0.264 0.000 0.844 562 N CB 0.659 39.098 38.487 -0.079 0.000 1.718 562 N HN 0.312 nan 8.380 nan 0.000 0.589 563 W N 1.036 121.858 121.300 -0.797 0.000 2.317 563 W HA -0.070 4.590 4.660 -0.000 0.000 0.318 563 W C 2.444 178.938 176.519 -0.042 0.000 1.227 563 W CA 2.940 59.999 57.345 -0.476 0.000 1.269 563 W CB -1.042 28.317 29.460 -0.168 0.000 1.155 563 W HN 0.733 nan 8.180 nan 0.000 0.484 564 A N -0.253 122.600 122.820 0.056 0.000 1.892 564 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 564 A C 1.974 179.498 177.584 -0.101 0.000 1.188 564 A CA 3.171 55.168 52.037 -0.066 0.000 0.631 564 A CB -1.463 17.563 19.000 0.044 0.000 0.822 564 A HN 0.360 nan 8.150 nan 0.000 0.447 565 T N -1.124 113.384 114.554 -0.077 0.000 2.624 565 T HA -0.286 4.064 4.350 -0.000 0.000 0.268 565 T C 1.809 176.562 174.700 0.089 0.000 1.041 565 T CA 1.970 64.011 62.100 -0.098 0.000 1.159 565 T CB -0.614 68.081 68.868 -0.289 0.000 0.863 565 T HN 0.708 nan 8.240 nan 0.000 0.434 566 Y N 1.959 122.347 120.300 0.148 0.000 2.181 566 Y HA -0.018 4.532 4.550 0.000 0.000 0.288 566 Y C 2.014 177.899 175.900 -0.025 0.000 1.146 566 Y CA 0.827 59.021 58.100 0.157 0.000 1.164 566 Y CB -0.703 37.827 38.460 0.116 0.000 0.982 566 Y HN 0.132 nan 8.280 nan 0.000 0.515 567 L N 0.209 121.050 121.223 -0.638 0.000 2.012 567 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 567 L C 2.843 179.450 176.870 -0.438 0.000 1.073 567 L CA 1.432 55.791 54.840 -0.802 0.000 0.748 567 L CB -1.003 40.654 42.059 -0.669 0.000 0.891 567 L HN 0.437 nan 8.230 nan 0.000 0.431 568 A N -1.091 121.574 122.820 -0.260 0.000 1.854 568 A HA -0.206 4.114 4.320 -0.000 0.000 0.214 568 A C 2.522 180.044 177.584 -0.103 0.000 1.192 568 A CA 1.842 53.786 52.037 -0.155 0.000 0.611 568 A CB -0.756 18.156 19.000 -0.146 0.000 0.832 568 A HN 0.370 nan 8.150 nan 0.000 0.442 569 S N -1.250 114.410 115.700 -0.067 0.000 2.383 569 S HA -0.118 4.352 4.470 -0.000 0.000 0.227 569 S C 1.896 176.513 174.600 0.028 0.000 1.026 569 S CA 2.288 60.492 58.200 0.007 0.000 0.981 569 S CB -0.400 62.860 63.200 0.100 0.000 0.818 569 S HN 0.564 nan 8.310 nan 0.000 0.472 570 T N 0.865 115.409 114.554 -0.016 0.000 3.033 570 T HA 0.216 4.566 4.350 -0.000 0.000 0.248 570 T C 1.281 175.957 174.700 -0.040 0.000 1.040 570 T CA 0.434 62.546 62.100 0.019 0.000 1.133 570 T CB -0.015 68.935 68.868 0.137 0.000 0.895 570 T HN 0.299 nan 8.240 nan 0.000 0.465 571 E N 1.349 121.445 120.200 -0.174 0.000 2.481 571 E HA 0.185 4.535 4.350 -0.000 0.000 0.198 571 E C 0.052 176.638 176.600 -0.023 0.000 1.027 571 E CA -0.104 56.229 56.400 -0.111 0.000 0.900 571 E CB 0.001 29.568 29.700 -0.222 0.000 0.993 571 E HN 0.306 nan 8.360 nan 0.000 0.482 572 N N 0.932 119.631 118.700 -0.000 0.000 2.727 572 N HA -0.207 4.533 4.740 -0.000 0.000 0.249 572 N C -0.565 175.035 175.510 0.150 0.000 1.048 572 N CA 0.720 53.839 53.050 0.116 0.000 0.714 572 N CB -1.440 37.167 38.487 0.199 0.000 0.959 572 N HN 0.294 nan 8.380 nan 0.000 0.544 573 I N 0.917 121.502 120.570 0.026 0.000 2.377 573 I HA 0.329 4.499 4.170 -0.000 0.000 0.293 573 I C 1.035 177.144 176.117 -0.014 0.000 0.987 573 I CA -0.702 60.621 61.300 0.038 0.000 1.185 573 I CB 1.309 39.326 38.000 0.030 0.000 1.341 573 I HN -0.056 nan 8.210 nan 0.000 0.455 574 I N 6.494 127.069 120.570 0.009 0.000 2.452 574 I HA 0.115 4.285 4.170 -0.000 0.000 0.287 574 I C -0.321 175.794 176.117 -0.004 0.000 1.079 574 I CA -0.220 61.049 61.300 -0.053 0.000 1.387 574 I CB 0.812 38.793 38.000 -0.032 0.000 1.404 574 I HN 0.224 nan 8.210 nan 0.000 0.522 575 V N 6.868 126.768 119.914 -0.022 0.000 2.370 575 V HA 0.639 4.759 4.120 -0.000 0.000 0.283 575 V C 0.303 176.434 176.094 0.062 0.000 1.023 575 V CA -0.450 61.885 62.300 0.058 0.000 0.857 575 V CB 1.251 33.109 31.823 0.059 0.000 0.985 575 V HN 0.831 nan 8.190 nan 0.000 0.443 576 A N 4.053 126.941 122.820 0.114 0.000 2.365 576 A HA 0.930 5.250 4.320 -0.000 0.000 0.318 576 A C -0.248 177.496 177.584 0.266 0.000 1.091 576 A CA -0.502 51.602 52.037 0.111 0.000 0.763 576 A CB 1.687 20.634 19.000 -0.089 0.000 1.248 576 A HN 0.719 nan 8.150 nan 0.000 0.442 577 S N 0.221 116.121 115.700 0.332 0.000 2.548 577 S HA 0.804 5.274 4.470 -0.000 0.000 0.286 577 S C -1.259 173.688 174.600 0.579 0.000 1.098 577 S CA -0.373 58.063 58.200 0.394 0.000 0.930 577 S CB 1.404 64.773 63.200 0.282 0.000 1.070 577 S HN 0.852 nan 8.310 nan 0.000 0.480 578 F N 1.401 121.573 119.950 0.370 0.000 2.581 578 F HA 0.496 5.023 4.527 -0.000 0.000 0.311 578 F C -1.780 174.212 175.800 0.320 0.000 1.113 578 F CA -0.643 57.599 58.000 0.403 0.000 0.935 578 F CB 1.585 40.797 39.000 0.353 0.000 1.232 578 F HN 0.401 nan 8.300 nan 0.000 0.445 579 D N 4.205 124.395 120.400 -0.351 0.000 2.454 579 D HA 0.419 5.059 4.640 -0.000 0.000 0.225 579 D C 0.251 176.264 176.300 -0.478 0.000 1.081 579 D CA 0.094 53.972 54.000 -0.203 0.000 0.864 579 D CB 1.564 42.394 40.800 0.050 0.000 1.040 579 D HN 0.787 nan 8.370 nan 0.000 0.517 580 G N 1.245 109.892 108.800 -0.255 0.000 2.736 580 G HA2 0.320 4.280 3.960 -0.000 0.000 0.229 580 G HA3 0.320 4.280 3.960 -0.000 0.000 0.229 580 G C 0.065 174.975 174.900 0.017 0.000 1.380 580 G CA -0.751 44.230 45.100 -0.198 0.000 1.040 580 G HN 0.288 nan 8.290 nan 0.000 0.568 581 R N -0.637 119.839 120.500 -0.040 0.000 2.585 581 R HA 0.344 4.684 4.340 -0.000 0.000 0.275 581 R C 1.284 177.669 176.300 0.141 0.000 1.018 581 R CA 1.522 57.694 56.100 0.120 0.000 1.072 581 R CB 0.386 30.741 30.300 0.093 0.000 0.953 581 R HN 1.086 nan 8.270 nan 0.000 0.419 582 G N 1.270 110.150 108.800 0.133 0.000 2.234 582 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.235 582 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.235 582 G C 0.142 175.057 174.900 0.025 0.000 0.997 582 G CA 0.188 45.340 45.100 0.086 0.000 0.623 582 G HN 0.708 nan 8.290 nan 0.000 0.514 583 S N 0.264 115.995 115.700 0.051 0.000 2.624 583 S HA 0.681 5.151 4.470 -0.000 0.000 0.263 583 S C 0.762 175.332 174.600 -0.050 0.000 1.287 583 S CA 0.345 58.563 58.200 0.031 0.000 0.990 583 S CB 1.855 65.110 63.200 0.091 0.000 0.950 583 S HN 1.653 nan 8.310 nan 0.000 0.561 584 G N -1.262 107.451 108.800 -0.144 0.000 2.601 584 G HA2 0.528 4.488 3.960 -0.000 0.000 0.317 584 G HA3 0.528 4.488 3.960 -0.000 0.000 0.317 584 G C -1.020 173.671 174.900 -0.349 0.000 1.246 584 G CA -1.030 43.802 45.100 -0.447 0.000 1.012 584 G HN 0.902 nan 8.290 nan 0.000 0.494 585 Y N -2.489 117.801 120.300 -0.017 0.000 4.929 585 Y HA -0.215 4.335 4.550 -0.000 0.000 0.252 585 Y C 1.375 177.277 175.900 0.004 0.000 0.950 585 Y CA 0.976 59.077 58.100 0.001 0.000 1.935 585 Y CB -2.151 36.327 38.460 0.031 0.000 1.440 585 Y HN 0.555 nan 8.280 nan 0.000 0.567 586 Q N 0.255 120.073 119.800 0.031 0.000 2.115 586 Q HA 0.537 4.877 4.340 -0.000 0.000 0.249 586 Q C 0.972 176.831 176.000 -0.234 0.000 0.830 586 Q CA 0.206 56.032 55.803 0.039 0.000 1.104 586 Q CB 1.483 30.251 28.738 0.049 0.000 1.207 586 Q HN 0.580 nan 8.270 nan 0.000 0.464 587 G N 0.802 109.335 108.800 -0.444 0.000 2.756 587 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.678 587 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.678 587 G C -0.463 174.063 174.900 -0.622 0.000 1.349 587 G CA -0.385 44.194 45.100 -0.869 0.000 0.847 587 G HN 0.170 nan 8.290 nan 0.000 0.548 588 D N -0.184 119.828 120.400 -0.646 0.000 2.194 588 D HA -0.017 4.623 4.640 -0.000 0.000 0.204 588 D C 2.249 178.318 176.300 -0.385 0.000 0.964 588 D CA 1.241 54.853 54.000 -0.647 0.000 0.846 588 D CB -0.094 40.346 40.800 -0.601 0.000 0.962 588 D HN 0.572 nan 8.370 nan 0.000 0.490 589 K N 0.439 120.664 120.400 -0.293 0.000 2.059 589 K HA -0.178 4.141 4.320 -0.000 0.000 0.212 589 K C 1.989 178.535 176.600 -0.090 0.000 1.050 589 K CA 1.184 57.383 56.287 -0.147 0.000 0.927 589 K CB -0.117 32.312 32.500 -0.119 0.000 0.714 589 K HN 0.135 nan 8.250 nan 0.000 0.447 590 I N -0.066 120.434 120.570 -0.116 0.000 2.339 590 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 590 I C 2.601 178.706 176.117 -0.021 0.000 1.096 590 I CA 0.645 61.944 61.300 -0.001 0.000 1.408 590 I CB -0.087 37.924 38.000 0.018 0.000 1.092 590 I HN 0.289 nan 8.210 nan 0.000 0.423 591 M N 0.241 119.742 119.600 -0.165 0.000 2.086 591 M HA -0.249 4.231 4.480 -0.000 0.000 0.261 591 M C 1.796 178.081 176.300 -0.025 0.000 1.067 591 M CA 2.055 57.258 55.300 -0.162 0.000 1.116 591 M CB -0.321 32.062 32.600 -0.362 0.000 1.348 591 M HN 0.250 nan 8.290 nan 0.000 0.407 592 H N -0.707 118.287 119.070 -0.127 0.000 2.543 592 H HA 0.209 4.765 4.556 -0.000 0.000 0.269 592 H C 1.656 177.020 175.328 0.060 0.000 1.005 592 H CA 0.075 56.067 56.048 -0.094 0.000 1.146 592 H CB 0.101 29.712 29.762 -0.252 0.000 1.353 592 H HN 0.517 nan 8.280 nan 0.000 0.595 593 A N 0.582 123.523 122.820 0.203 0.000 2.121 593 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 593 A C 1.766 179.579 177.584 0.382 0.000 1.154 593 A CA 0.983 53.167 52.037 0.245 0.000 0.679 593 A CB -0.156 18.951 19.000 0.178 0.000 0.795 593 A HN 0.385 nan 8.150 nan 0.000 0.458 594 I N -0.505 120.245 120.570 0.300 0.000 3.976 594 I HA 0.094 4.263 4.170 -0.000 0.000 0.337 594 I C 0.376 176.572 176.117 0.131 0.000 1.359 594 I CA -0.318 61.108 61.300 0.209 0.000 1.098 594 I CB -0.093 38.011 38.000 0.172 0.000 1.027 594 I HN 0.211 nan 8.210 nan 0.000 0.394 595 N N 1.886 120.715 118.700 0.215 0.000 2.356 595 N HA -0.067 4.673 4.740 -0.000 0.000 0.252 595 N C 0.504 176.031 175.510 0.029 0.000 1.241 595 N CA 0.753 53.928 53.050 0.208 0.000 0.861 595 N CB 0.230 38.817 38.487 0.166 0.000 1.075 595 N HN 0.143 nan 8.380 nan 0.000 0.461 596 R N 0.565 121.056 120.500 -0.015 0.000 3.946 596 R HA -0.244 4.096 4.340 -0.000 0.000 0.329 596 R C -0.500 175.624 176.300 -0.294 0.000 1.209 596 R CA 1.142 57.175 56.100 -0.112 0.000 0.909 596 R CB -1.359 28.903 30.300 -0.063 0.000 1.355 596 R HN 0.668 nan 8.270 nan 0.000 0.539 597 R N 0.328 120.635 120.500 -0.321 0.000 2.593 597 R HA 0.274 4.614 4.340 -0.000 0.000 0.258 597 R C -0.412 175.761 176.300 -0.212 0.000 1.410 597 R CA -0.405 55.337 56.100 -0.596 0.000 1.537 597 R CB 0.693 30.676 30.300 -0.529 0.000 1.362 597 R HN -0.018 nan 8.270 nan 0.000 0.734 598 L N 0.046 121.248 121.223 -0.035 0.000 2.464 598 L HA 0.312 4.652 4.340 -0.000 0.000 0.264 598 L C 1.351 178.481 176.870 0.433 0.000 1.199 598 L CA 0.572 55.492 54.840 0.133 0.000 0.818 598 L CB 0.550 42.507 42.059 -0.170 0.000 1.102 598 L HN 0.697 nan 8.230 nan 0.000 0.473 599 G N 0.976 110.073 108.800 0.494 0.000 2.225 599 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.264 599 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.264 599 G C 0.162 175.166 174.900 0.173 0.000 1.060 599 G CA 0.401 45.724 45.100 0.371 0.000 0.833 599 G HN 0.737 nan 8.290 nan 0.000 0.498 600 T N -1.577 113.045 114.554 0.114 0.000 2.310 600 T HA 0.419 4.769 4.350 -0.000 0.000 0.157 600 T C 1.506 176.224 174.700 0.030 0.000 0.772 600 T CA 0.498 62.577 62.100 -0.035 0.000 0.860 600 T CB -0.124 68.596 68.868 -0.247 0.000 2.770 600 T HN 0.010 nan 8.240 nan 0.000 0.373 601 F N 3.148 123.145 119.950 0.078 0.000 2.250 601 F HA -0.028 4.499 4.527 0.000 0.000 0.301 601 F C 2.584 178.418 175.800 0.058 0.000 1.077 601 F CA 1.167 59.199 58.000 0.052 0.000 1.348 601 F CB -0.527 38.500 39.000 0.045 0.000 1.040 601 F HN 0.444 nan 8.300 nan 0.000 0.509 602 E N 0.526 120.876 120.200 0.251 0.000 2.152 602 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 602 E C 2.086 178.788 176.600 0.170 0.000 0.983 602 E CA 1.376 57.900 56.400 0.207 0.000 0.818 602 E CB -0.947 28.883 29.700 0.216 0.000 0.758 602 E HN 0.297 nan 8.360 nan 0.000 0.467 603 V N 1.861 121.853 119.914 0.129 0.000 2.323 603 V HA -0.199 3.921 4.120 -0.000 0.000 0.244 603 V C 2.357 178.490 176.094 0.065 0.000 1.041 603 V CA 2.008 64.344 62.300 0.059 0.000 1.025 603 V CB -0.612 31.203 31.823 -0.012 0.000 0.656 603 V HN 0.204 nan 8.190 nan 0.000 0.451 604 E N 0.355 120.609 120.200 0.090 0.000 2.070 604 E HA -0.287 4.063 4.350 -0.000 0.000 0.197 604 E C 1.892 178.516 176.600 0.039 0.000 1.004 604 E CA 1.766 58.212 56.400 0.077 0.000 0.805 604 E CB -0.249 29.528 29.700 0.129 0.000 0.744 604 E HN 0.584 nan 8.360 nan 0.000 0.451 605 D N 0.148 120.585 120.400 0.061 0.000 2.219 605 D HA -0.110 4.530 4.640 -0.000 0.000 0.205 605 D C 1.913 178.189 176.300 -0.041 0.000 0.970 605 D CA 0.702 54.710 54.000 0.012 0.000 0.851 605 D CB -0.079 40.784 40.800 0.105 0.000 0.943 605 D HN 0.128 nan 8.370 nan 0.000 0.488 606 Q N -0.141 119.698 119.800 0.063 0.000 2.230 606 Q HA 0.030 4.370 4.340 -0.000 0.000 0.202 606 Q C 2.380 178.406 176.000 0.043 0.000 0.963 606 Q CA 0.394 56.234 55.803 0.061 0.000 0.866 606 Q CB 0.285 29.107 28.738 0.140 0.000 0.931 606 Q HN 0.425 nan 8.270 nan 0.000 0.452 607 I N 0.616 121.224 120.570 0.064 0.000 2.233 607 I HA -0.226 3.944 4.170 -0.000 0.000 0.243 607 I C 2.400 178.464 176.117 -0.089 0.000 1.093 607 I CA 1.020 62.395 61.300 0.126 0.000 1.380 607 I CB -0.102 37.968 38.000 0.115 0.000 1.067 607 I HN 0.122 nan 8.210 nan 0.000 0.413 608 E N 1.755 121.856 120.200 -0.165 0.000 2.110 608 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 608 E C 2.057 178.380 176.600 -0.461 0.000 0.988 608 E CA 1.655 57.902 56.400 -0.255 0.000 0.804 608 E CB -0.130 29.447 29.700 -0.206 0.000 0.745 608 E HN 0.404 nan 8.360 nan 0.000 0.458 609 A N 0.624 123.023 122.820 -0.702 0.000 1.969 609 A HA 0.038 4.358 4.320 -0.000 0.000 0.218 609 A C 2.410 179.338 177.584 -1.094 0.000 1.169 609 A CA 1.790 53.127 52.037 -1.166 0.000 0.635 609 A CB -0.854 17.095 19.000 -1.753 0.000 0.810 609 A HN 0.399 nan 8.150 nan 0.000 0.445 610 A N -0.088 122.420 122.820 -0.520 0.000 1.898 610 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 610 A C 2.221 179.618 177.584 -0.312 0.000 1.181 610 A CA 1.300 53.175 52.037 -0.269 0.000 0.620 610 A CB -0.458 18.437 19.000 -0.175 0.000 0.819 610 A HN 0.527 nan 8.150 nan 0.000 0.442 611 R N -0.534 119.771 120.500 -0.325 0.000 2.096 611 R HA -0.199 4.141 4.340 -0.000 0.000 0.240 611 R C 2.432 178.580 176.300 -0.253 0.000 1.139 611 R CA 1.922 57.867 56.100 -0.258 0.000 0.952 611 R CB -0.409 29.761 30.300 -0.216 0.000 0.854 611 R HN 0.663 nan 8.270 nan 0.000 0.436 612 Q N -0.660 118.930 119.800 -0.351 0.000 2.224 612 Q HA -0.105 4.235 4.340 -0.000 0.000 0.203 612 Q C 1.836 177.685 176.000 -0.252 0.000 0.970 612 Q CA 1.000 56.610 55.803 -0.321 0.000 0.865 612 Q CB 0.042 28.547 28.738 -0.389 0.000 0.922 612 Q HN 0.244 nan 8.270 nan 0.000 0.445 613 F N 0.275 120.070 119.950 -0.260 0.000 2.186 613 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 613 F C 2.524 178.158 175.800 -0.278 0.000 1.090 613 F CA 0.656 58.489 58.000 -0.279 0.000 1.307 613 F CB -0.901 37.964 39.000 -0.225 0.000 1.019 613 F HN -0.067 nan 8.300 nan 0.000 0.489 614 S N -0.082 115.578 115.700 -0.066 0.000 2.372 614 S HA -0.225 4.245 4.470 -0.000 0.000 0.227 614 S C 1.751 176.269 174.600 -0.137 0.000 1.044 614 S CA 1.386 59.516 58.200 -0.116 0.000 1.050 614 S CB -0.351 62.768 63.200 -0.135 0.000 0.901 614 S HN 0.334 nan 8.310 nan 0.000 0.447 615 K N 0.346 120.666 120.400 -0.133 0.000 2.591 615 K HA 0.161 4.481 4.320 -0.000 0.000 0.197 615 K C -0.159 176.358 176.600 -0.138 0.000 1.026 615 K CA 0.165 56.381 56.287 -0.119 0.000 1.127 615 K CB -0.118 32.322 32.500 -0.100 0.000 0.871 615 K HN 0.407 nan 8.250 nan 0.000 0.507 616 M N -0.302 119.159 119.600 -0.231 0.000 2.233 616 M HA 0.121 4.601 4.480 -0.000 0.000 0.355 616 M C 1.412 177.505 176.300 -0.345 0.000 1.191 616 M CA -0.227 54.867 55.300 -0.344 0.000 1.101 616 M CB 1.528 33.714 32.600 -0.690 0.000 1.592 616 M HN 0.137 nan 8.290 nan 0.000 0.461 617 G N 2.416 111.137 108.800 -0.131 0.000 2.537 617 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.220 617 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.220 617 G C 0.728 175.656 174.900 0.046 0.000 1.111 617 G CA 0.830 45.922 45.100 -0.014 0.000 0.748 617 G HN 0.807 nan 8.290 nan 0.000 0.564 618 F N -0.258 119.743 119.950 0.084 0.000 2.653 618 F HA 0.540 5.067 4.527 -0.000 0.000 0.304 618 F C 0.230 176.140 175.800 0.183 0.000 1.092 618 F CA -1.292 56.793 58.000 0.142 0.000 1.279 618 F CB -0.158 38.973 39.000 0.218 0.000 1.044 618 F HN 0.024 nan 8.300 nan 0.000 0.564 619 V N 0.581 120.452 119.914 -0.071 0.000 2.448 619 V HA 0.478 4.598 4.120 -0.000 0.000 0.295 619 V C -0.859 175.207 176.094 -0.045 0.000 1.025 619 V CA -0.788 61.505 62.300 -0.011 0.000 0.859 619 V CB 1.396 33.161 31.823 -0.096 0.000 0.988 619 V HN 0.219 nan 8.190 nan 0.000 0.431 620 D N 4.511 124.887 120.400 -0.040 0.000 2.325 620 D HA 0.143 4.783 4.640 -0.000 0.000 0.251 620 D C 1.211 177.461 176.300 -0.083 0.000 1.196 620 D CA 0.269 54.226 54.000 -0.071 0.000 0.866 620 D CB 0.892 41.639 40.800 -0.090 0.000 1.101 620 D HN 0.813 nan 8.370 nan 0.000 0.476 621 N N 3.043 121.696 118.700 -0.079 0.000 2.573 621 N HA -0.154 4.586 4.740 -0.000 0.000 0.187 621 N C 0.601 176.071 175.510 -0.066 0.000 1.107 621 N CA 0.254 53.255 53.050 -0.083 0.000 0.918 621 N CB 0.099 38.534 38.487 -0.086 0.000 0.966 621 N HN 0.381 nan 8.380 nan 0.000 0.448 622 K N 0.323 120.690 120.400 -0.055 0.000 2.400 622 K HA 0.138 4.458 4.320 -0.000 0.000 0.194 622 K C 0.424 177.024 176.600 -0.000 0.000 1.033 622 K CA 0.320 56.591 56.287 -0.026 0.000 1.021 622 K CB 0.389 32.874 32.500 -0.025 0.000 0.808 622 K HN 0.142 nan 8.250 nan 0.000 0.505 623 R N 1.405 121.876 120.500 -0.049 0.000 2.681 623 R HA 0.345 4.685 4.340 -0.000 0.000 0.277 623 R C -0.951 175.313 176.300 -0.061 0.000 1.563 623 R CA -0.121 55.943 56.100 -0.060 0.000 1.673 623 R CB 0.621 30.702 30.300 -0.364 0.000 1.258 623 R HN 0.007 nan 8.270 nan 0.000 0.650 624 I N 1.280 121.926 120.570 0.128 0.000 2.362 624 I HA 0.499 4.669 4.170 -0.000 0.000 0.289 624 I C 0.248 176.640 176.117 0.458 0.000 0.994 624 I CA -0.671 60.755 61.300 0.210 0.000 1.158 624 I CB 1.725 39.731 38.000 0.010 0.000 1.315 624 I HN 0.312 nan 8.210 nan 0.000 0.451 625 A N 7.244 130.431 122.820 0.612 0.000 2.312 625 A HA 0.905 5.225 4.320 -0.000 0.000 0.310 625 A C -0.926 176.993 177.584 0.558 0.000 1.139 625 A CA -0.652 51.719 52.037 0.556 0.000 0.886 625 A CB 1.991 21.214 19.000 0.372 0.000 1.350 625 A HN 0.732 nan 8.150 nan 0.000 0.479 626 I N 0.009 120.807 120.570 0.380 0.000 2.722 626 I HA 0.695 4.865 4.170 -0.000 0.000 0.295 626 I C -1.832 174.515 176.117 0.384 0.000 1.161 626 I CA -0.603 60.852 61.300 0.258 0.000 1.032 626 I CB 1.678 39.555 38.000 -0.205 0.000 1.244 626 I HN 0.923 nan 8.210 nan 0.000 0.421 627 W N 6.929 128.344 121.300 0.193 0.000 3.137 627 W HA 0.843 5.503 4.660 0.000 0.000 0.324 627 W C -1.377 175.286 176.519 0.239 0.000 1.253 627 W CA -0.789 56.683 57.345 0.213 0.000 1.183 627 W CB 1.002 30.638 29.460 0.293 0.000 1.424 627 W HN 0.856 nan 8.180 nan 0.000 0.566 628 G N 0.492 109.315 108.800 0.037 0.000 2.451 628 G HA2 0.452 4.412 3.960 -0.000 0.000 0.292 628 G HA3 0.452 4.412 3.960 -0.000 0.000 0.292 628 G C -2.902 172.050 174.900 0.087 0.000 1.427 628 G CA -0.769 44.176 45.100 -0.258 0.000 0.792 628 G HN 0.640 nan 8.290 nan 0.000 0.498 629 W N 0.794 122.049 121.300 -0.074 0.000 2.839 629 W HA 0.625 5.285 4.660 0.000 0.000 0.334 629 W C 0.586 177.164 176.519 0.098 0.000 1.064 629 W CA 0.349 57.705 57.345 0.018 0.000 1.236 629 W CB 1.711 31.177 29.460 0.009 0.000 1.405 629 W HN 1.317 nan 8.180 nan 0.000 0.478 630 S N 2.539 118.451 115.700 0.353 0.000 4.074 630 S HA -0.402 4.068 4.470 -0.000 0.000 0.626 630 S C 1.043 175.773 174.600 0.216 0.000 1.989 630 S CA 1.386 59.811 58.200 0.376 0.000 4.158 630 S CB -1.755 61.794 63.200 0.582 0.000 0.211 630 S HN 0.723 nan 8.310 nan 0.000 0.599 631 Y N 2.251 122.600 120.300 0.081 0.000 2.102 631 Y HA -0.128 4.422 4.550 0.000 0.000 0.280 631 Y C 2.422 178.288 175.900 -0.056 0.000 1.178 631 Y CA 3.014 61.041 58.100 -0.120 0.000 1.146 631 Y CB -1.126 37.014 38.460 -0.534 0.000 0.968 631 Y HN 0.609 nan 8.280 nan 0.000 0.504 632 G N -0.996 107.884 108.800 0.135 0.000 2.503 632 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.221 632 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.221 632 G C 1.867 176.828 174.900 0.102 0.000 1.131 632 G CA 1.017 46.221 45.100 0.173 0.000 0.756 632 G HN 0.616 nan 8.290 nan 0.000 0.572 633 G N -0.741 108.121 108.800 0.104 0.000 2.464 633 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.217 633 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.217 633 G C 1.562 176.486 174.900 0.040 0.000 1.138 633 G CA 0.958 46.096 45.100 0.065 0.000 0.793 633 G HN 0.448 nan 8.290 nan 0.000 0.539 634 Y N 1.389 121.595 120.300 -0.157 0.000 2.163 634 Y HA -0.077 4.473 4.550 -0.000 0.000 0.288 634 Y C 2.694 178.495 175.900 -0.165 0.000 1.136 634 Y CA 1.449 59.400 58.100 -0.249 0.000 1.147 634 Y CB -0.390 37.765 38.460 -0.507 0.000 0.987 634 Y HN 0.018 nan 8.280 nan 0.000 0.509 635 V N -0.251 119.539 119.914 -0.206 0.000 2.295 635 V HA -0.331 3.789 4.120 -0.000 0.000 0.246 635 V C 2.321 178.304 176.094 -0.185 0.000 1.049 635 V CA 2.506 64.680 62.300 -0.209 0.000 1.024 635 V CB -1.266 30.569 31.823 0.020 0.000 0.648 635 V HN 0.474 nan 8.190 nan 0.000 0.447 636 T N -0.370 114.132 114.554 -0.087 0.000 2.737 636 T HA -0.208 4.142 4.350 -0.000 0.000 0.269 636 T C 2.149 176.795 174.700 -0.089 0.000 1.040 636 T CA 1.982 64.039 62.100 -0.072 0.000 1.142 636 T CB -0.246 68.652 68.868 0.050 0.000 0.861 636 T HN 0.472 nan 8.240 nan 0.000 0.456 637 S N 0.670 116.339 115.700 -0.051 0.000 2.371 637 S HA 0.031 4.501 4.470 -0.000 0.000 0.224 637 S C 2.126 176.623 174.600 -0.171 0.000 1.029 637 S CA 0.800 59.001 58.200 0.000 0.000 0.978 637 S CB -0.218 63.049 63.200 0.110 0.000 0.833 637 S HN 0.328 nan 8.310 nan 0.000 0.466 638 M N 0.997 120.414 119.600 -0.305 0.000 2.213 638 M HA -0.035 4.445 4.480 -0.000 0.000 0.263 638 M C 2.118 178.259 176.300 -0.265 0.000 1.062 638 M CA 1.001 56.105 55.300 -0.327 0.000 1.105 638 M CB -1.406 30.893 32.600 -0.503 0.000 1.385 638 M HN 0.170 nan 8.290 nan 0.000 0.417 639 V N 0.583 120.334 119.914 -0.271 0.000 2.270 639 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 639 V C 2.515 178.417 176.094 -0.319 0.000 1.043 639 V CA 1.376 63.516 62.300 -0.266 0.000 1.014 639 V CB -0.647 30.950 31.823 -0.376 0.000 0.645 639 V HN 0.393 nan 8.190 nan 0.000 0.447 640 L N 0.508 121.471 121.223 -0.434 0.000 2.187 640 L HA -0.097 4.243 4.340 -0.000 0.000 0.213 640 L C 2.159 178.525 176.870 -0.840 0.000 1.100 640 L CA 1.532 56.011 54.840 -0.601 0.000 0.765 640 L CB -0.715 40.911 42.059 -0.720 0.000 0.904 640 L HN 0.502 nan 8.230 nan 0.000 0.437 641 G N -1.558 106.790 108.800 -0.753 0.000 3.284 641 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.236 641 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.236 641 G C 1.431 176.195 174.900 -0.227 0.000 1.158 641 G CA 0.561 45.349 45.100 -0.519 0.000 0.774 641 G HN 0.433 nan 8.290 nan 0.000 0.545 642 S N -0.947 114.633 115.700 -0.199 0.000 2.458 642 S HA 0.329 4.799 4.470 -0.000 0.000 0.223 642 S C 1.911 176.471 174.600 -0.066 0.000 1.019 642 S CA 1.097 59.237 58.200 -0.100 0.000 0.937 642 S CB 0.001 63.161 63.200 -0.068 0.000 0.788 642 S HN 1.344 nan 8.310 nan 0.000 0.511 643 G N 1.370 110.123 108.800 -0.078 0.000 2.141 643 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.242 643 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.242 643 G C 1.004 175.895 174.900 -0.016 0.000 0.982 643 G CA 0.984 46.058 45.100 -0.045 0.000 0.662 643 G HN 1.261 nan 8.290 nan 0.000 0.527 644 S N -0.241 115.462 115.700 0.005 0.000 2.400 644 S HA 0.220 4.690 4.470 -0.000 0.000 0.232 644 S C 2.739 177.338 174.600 -0.001 0.000 1.025 644 S CA 2.170 60.381 58.200 0.018 0.000 0.993 644 S CB -0.382 62.863 63.200 0.076 0.000 0.808 644 S HN 2.508 nan 8.310 nan 0.000 0.478 645 G N -0.372 108.435 108.800 0.012 0.000 2.234 645 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.260 645 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.260 645 G C 0.891 175.768 174.900 -0.038 0.000 0.987 645 G CA 0.473 45.569 45.100 -0.006 0.000 0.625 645 G HN 0.788 nan 8.290 nan 0.000 0.532 646 V N 0.116 119.974 119.914 -0.093 0.000 2.548 646 V HA 0.218 4.338 4.120 -0.000 0.000 0.249 646 V C 1.261 177.119 176.094 -0.394 0.000 1.055 646 V CA 1.674 63.788 62.300 -0.310 0.000 1.065 646 V CB -0.442 31.061 31.823 -0.533 0.000 0.681 646 V HN 0.323 nan 8.190 nan 0.000 0.462 647 F N -0.274 119.684 119.950 0.013 0.000 2.422 647 F HA 0.423 4.950 4.527 -0.000 0.000 0.333 647 F C 1.041 176.875 175.800 0.056 0.000 1.095 647 F CA -0.688 57.344 58.000 0.054 0.000 1.038 647 F CB 1.394 40.432 39.000 0.063 0.000 1.156 647 F HN -0.266 nan 8.300 nan 0.000 0.483 648 K N 1.348 121.906 120.400 0.262 0.000 2.099 648 K HA 0.154 4.474 4.320 -0.000 0.000 0.203 648 K C -0.160 176.557 176.600 0.195 0.000 1.047 648 K CA 0.869 57.268 56.287 0.186 0.000 0.963 648 K CB 0.294 32.904 32.500 0.183 0.000 0.759 648 K HN 0.802 nan 8.250 nan 0.000 0.451 649 c N -1.864 116.884 118.600 0.246 0.000 3.239 649 c HA 0.912 5.482 4.570 -0.000 0.000 0.317 649 c C -0.118 174.169 174.090 0.328 0.000 1.310 649 c CA -0.663 55.822 56.329 0.261 0.000 1.371 649 c CB 1.083 43.681 42.510 0.147 0.000 1.714 649 c HN 0.394 nan 8.230 nan 0.000 0.473 650 G N 0.190 109.236 108.800 0.410 0.000 2.684 650 G HA2 0.778 4.738 3.960 -0.000 0.000 0.290 650 G HA3 0.778 4.738 3.960 -0.000 0.000 0.290 650 G C -1.937 173.174 174.900 0.351 0.000 1.425 650 G CA -0.784 44.544 45.100 0.380 0.000 0.822 650 G HN 0.991 nan 8.290 nan 0.000 0.482 651 I N 0.825 121.558 120.570 0.272 0.000 2.468 651 I HA 0.549 4.719 4.170 -0.000 0.000 0.285 651 I C 0.097 176.302 176.117 0.147 0.000 1.039 651 I CA -0.882 60.450 61.300 0.053 0.000 1.074 651 I CB 2.175 40.174 38.000 -0.001 0.000 1.228 651 I HN 0.608 nan 8.210 nan 0.000 0.436 652 A N 6.791 129.607 122.820 -0.006 0.000 2.258 652 A HA 0.739 5.059 4.320 -0.000 0.000 0.316 652 A C -0.534 176.970 177.584 -0.134 0.000 1.279 652 A CA -0.482 51.570 52.037 0.026 0.000 0.876 652 A CB 0.808 19.877 19.000 0.114 0.000 1.170 652 A HN 0.447 nan 8.150 nan 0.000 0.520 653 V N 2.276 122.077 119.914 -0.189 0.000 2.394 653 V HA 0.535 4.655 4.120 -0.000 0.000 0.282 653 V C 1.069 176.801 176.094 -0.602 0.000 1.031 653 V CA 0.421 62.396 62.300 -0.541 0.000 0.881 653 V CB 0.743 31.959 31.823 -1.010 0.000 0.982 653 V HN 2.019 nan 8.190 nan 0.000 0.451 654 A N 5.457 127.899 122.820 -0.629 0.000 2.640 654 A HA -0.107 4.213 4.320 -0.000 0.000 0.300 654 A C -1.543 175.891 177.584 -0.250 0.000 1.499 654 A CA 0.432 52.004 52.037 -0.775 0.000 0.759 654 A CB -1.677 16.933 19.000 -0.649 0.000 1.048 654 A HN 0.651 nan 8.150 nan 0.000 0.450 655 P HA 0.373 nan 4.420 nan 0.000 0.275 655 P C 0.271 177.551 177.300 -0.034 0.000 1.228 655 P CA -0.077 63.014 63.100 -0.015 0.000 0.786 655 P CB 1.203 32.913 31.700 0.016 0.000 0.927 656 V N 2.522 122.318 119.914 -0.196 0.000 2.686 656 V HA 0.064 4.184 4.120 -0.000 0.000 0.295 656 V C 1.676 177.578 176.094 -0.320 0.000 1.055 656 V CA 1.000 63.043 62.300 -0.429 0.000 1.050 656 V CB 0.764 31.965 31.823 -1.038 0.000 0.984 656 V HN 0.835 nan 8.190 nan 0.000 0.482 657 S N 3.563 119.102 115.700 -0.268 0.000 2.632 657 S HA 0.333 4.803 4.470 -0.000 0.000 0.237 657 S C 0.392 174.823 174.600 -0.282 0.000 1.037 657 S CA -0.421 57.689 58.200 -0.150 0.000 1.009 657 S CB 0.272 63.448 63.200 -0.039 0.000 0.974 657 S HN 0.737 nan 8.310 nan 0.000 0.544 658 R N -0.593 119.600 120.500 -0.511 0.000 2.725 658 R HA 0.225 4.565 4.340 -0.000 0.000 0.276 658 R C -1.161 174.833 176.300 -0.509 0.000 1.189 658 R CA -0.572 55.195 56.100 -0.555 0.000 1.083 658 R CB 0.048 29.883 30.300 -0.775 0.000 1.262 658 R HN 0.258 nan 8.270 nan 0.000 0.415 659 W N 2.242 123.451 121.300 -0.151 0.000 2.387 659 W HA -0.094 4.566 4.660 0.000 0.000 0.272 659 W C 1.368 178.006 176.519 0.198 0.000 1.224 659 W CA 0.773 58.101 57.345 -0.029 0.000 1.210 659 W CB 0.321 29.656 29.460 -0.208 0.000 1.125 659 W HN 0.672 nan 8.180 nan 0.000 0.572 660 E N -1.061 119.309 120.200 0.285 0.000 2.347 660 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 660 E C 1.420 178.174 176.600 0.256 0.000 1.008 660 E CA 0.733 57.267 56.400 0.224 0.000 0.852 660 E CB -0.187 29.537 29.700 0.040 0.000 0.783 660 E HN 0.350 nan 8.360 nan 0.000 0.505 661 Y N -1.295 119.088 120.300 0.138 0.000 2.519 661 Y HA 0.003 4.553 4.550 0.000 0.000 0.287 661 Y C 0.771 176.758 175.900 0.146 0.000 1.128 661 Y CA -0.050 58.102 58.100 0.086 0.000 1.282 661 Y CB -0.426 38.028 38.460 -0.010 0.000 1.027 661 Y HN 0.021 nan 8.280 nan 0.000 0.551 662 Y N 1.777 122.211 120.300 0.224 0.000 2.392 662 Y HA 0.291 4.841 4.550 -0.000 0.000 0.323 662 Y C 0.364 176.463 175.900 0.332 0.000 1.291 662 Y CA -2.175 56.052 58.100 0.212 0.000 1.345 662 Y CB 0.375 38.962 38.460 0.212 0.000 1.320 662 Y HN 0.191 nan 8.280 nan 0.000 0.518 663 D N -0.458 119.727 120.400 -0.359 0.000 2.361 663 D HA 0.070 4.710 4.640 -0.000 0.000 0.239 663 D C 0.937 177.223 176.300 -0.023 0.000 1.200 663 D CA 0.433 54.282 54.000 -0.251 0.000 0.915 663 D CB 0.814 41.201 40.800 -0.688 0.000 1.170 663 D HN 0.475 nan 8.370 nan 0.000 0.444 664 S N 0.669 116.365 115.700 -0.007 0.000 2.368 664 S HA -0.182 4.288 4.470 -0.000 0.000 0.224 664 S C 1.887 176.526 174.600 0.065 0.000 1.029 664 S CA 0.998 59.248 58.200 0.082 0.000 0.988 664 S CB -0.858 62.399 63.200 0.095 0.000 0.838 664 S HN 0.420 nan 8.310 nan 0.000 0.462 665 V N 0.952 120.847 119.914 -0.031 0.000 2.237 665 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 665 V C 2.322 178.351 176.094 -0.108 0.000 1.046 665 V CA 2.208 64.407 62.300 -0.169 0.000 1.007 665 V CB -1.078 30.506 31.823 -0.399 0.000 0.638 665 V HN 0.594 nan 8.190 nan 0.000 0.445 666 Y N 1.423 121.667 120.300 -0.094 0.000 2.114 666 Y HA -0.247 4.303 4.550 0.000 0.000 0.284 666 Y C 2.697 178.593 175.900 -0.007 0.000 1.143 666 Y CA 2.319 60.430 58.100 0.019 0.000 1.135 666 Y CB -0.771 37.891 38.460 0.337 0.000 0.980 666 Y HN 0.247 nan 8.280 nan 0.000 0.499 667 T N 0.400 115.212 114.554 0.430 0.000 2.708 667 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 667 T C 1.587 176.294 174.700 0.013 0.000 1.037 667 T CA 1.960 64.238 62.100 0.297 0.000 1.146 667 T CB -0.283 68.849 68.868 0.440 0.000 0.865 667 T HN 0.466 nan 8.240 nan 0.000 0.435 668 E N 0.540 120.760 120.200 0.033 0.000 2.208 668 E HA -0.047 4.303 4.350 -0.000 0.000 0.193 668 E C 2.351 178.848 176.600 -0.172 0.000 0.988 668 E CA 0.382 56.790 56.400 0.013 0.000 0.828 668 E CB -0.104 29.645 29.700 0.081 0.000 0.763 668 E HN 0.322 nan 8.360 nan 0.000 0.478 669 R N 0.161 120.419 120.500 -0.402 0.000 2.105 669 R HA -0.193 4.147 4.340 -0.000 0.000 0.239 669 R C 1.321 177.097 176.300 -0.873 0.000 1.135 669 R CA 1.593 57.271 56.100 -0.704 0.000 0.967 669 R CB -0.015 29.597 30.300 -1.147 0.000 0.861 669 R HN 0.231 nan 8.270 nan 0.000 0.442 670 Y N -2.114 117.874 120.300 -0.520 0.000 2.509 670 Y HA 0.201 4.751 4.550 -0.000 0.000 0.270 670 Y C 1.666 177.366 175.900 -0.333 0.000 1.103 670 Y CA 0.194 57.960 58.100 -0.557 0.000 1.278 670 Y CB 0.472 38.497 38.460 -0.725 0.000 1.087 670 Y HN -0.029 nan 8.280 nan 0.000 0.542 671 M N -0.616 118.874 119.600 -0.183 0.000 2.306 671 M HA 0.370 4.850 4.480 -0.000 0.000 0.292 671 M C 0.956 177.279 176.300 0.038 0.000 1.018 671 M CA 0.693 55.890 55.300 -0.171 0.000 1.007 671 M CB 0.105 32.414 32.600 -0.485 0.000 1.510 671 M HN 0.305 nan 8.290 nan 0.000 0.537 672 G N 2.162 110.996 108.800 0.055 0.000 2.645 672 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.246 672 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.246 672 G C -0.542 174.498 174.900 0.233 0.000 1.322 672 G CA -0.749 44.422 45.100 0.118 0.000 0.898 672 G HN 0.351 nan 8.290 nan 0.000 0.573 673 L N 1.785 123.102 121.223 0.157 0.000 2.334 673 L HA 0.455 4.795 4.340 -0.000 0.000 0.277 673 L C -1.469 175.381 176.870 -0.034 0.000 1.075 673 L CA -1.775 53.110 54.840 0.075 0.000 0.804 673 L CB 1.940 44.011 42.059 0.019 0.000 1.174 673 L HN 0.468 nan 8.230 nan 0.000 0.438 674 P HA 0.086 nan 4.420 nan 0.000 0.214 674 P C -0.584 176.547 177.300 -0.281 0.000 1.826 674 P CA -0.142 62.526 63.100 -0.721 0.000 0.977 674 P CB -0.198 30.685 31.700 -1.361 0.000 1.930 675 T N -2.242 112.238 114.554 -0.122 0.000 2.924 675 T HA 0.489 4.839 4.350 -0.000 0.000 0.291 675 T C -2.263 172.424 174.700 -0.022 0.000 1.045 675 T CA -2.473 59.590 62.100 -0.062 0.000 1.015 675 T CB 1.857 70.702 68.868 -0.039 0.000 1.103 675 T HN -0.274 nan 8.240 nan 0.000 0.496 676 P HA -0.066 nan 4.420 nan 0.000 0.216 676 P C 1.064 178.372 177.300 0.014 0.000 1.150 676 P CA 1.067 64.172 63.100 0.007 0.000 0.837 676 P CB -0.007 31.695 31.700 0.004 0.000 0.786 677 E N -1.022 119.182 120.200 0.007 0.000 2.209 677 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 677 E C 1.315 177.926 176.600 0.018 0.000 0.993 677 E CA 1.113 57.518 56.400 0.009 0.000 0.819 677 E CB -0.254 29.446 29.700 0.001 0.000 0.745 677 E HN 0.338 nan 8.360 nan 0.000 0.477 678 D N -0.428 119.987 120.400 0.025 0.000 3.112 678 D HA 0.062 4.702 4.640 -0.000 0.000 0.212 678 D C 0.262 176.608 176.300 0.077 0.000 1.376 678 D CA -0.091 53.936 54.000 0.045 0.000 1.411 678 D CB -0.087 40.740 40.800 0.046 0.000 0.965 678 D HN -0.057 nan 8.370 nan 0.000 0.192 679 N N 0.599 119.374 118.700 0.124 0.000 2.282 679 N HA 0.118 4.858 4.740 -0.000 0.000 0.240 679 N C 1.470 177.163 175.510 0.304 0.000 1.182 679 N CA -0.147 53.030 53.050 0.212 0.000 0.874 679 N CB 0.694 39.340 38.487 0.265 0.000 1.126 679 N HN 0.142 nan 8.380 nan 0.000 0.516 680 L N 0.702 122.015 121.223 0.149 0.000 2.043 680 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 680 L C 1.126 178.096 176.870 0.167 0.000 1.075 680 L CA 1.831 56.733 54.840 0.103 0.000 0.752 680 L CB -0.290 41.778 42.059 0.014 0.000 0.891 680 L HN 0.288 nan 8.230 nan 0.000 0.432 681 D N -1.398 119.090 120.400 0.146 0.000 2.104 681 D HA -0.260 4.380 4.640 -0.000 0.000 0.194 681 D C 2.047 178.442 176.300 0.158 0.000 0.994 681 D CA 1.348 55.424 54.000 0.126 0.000 0.830 681 D CB -0.424 40.439 40.800 0.105 0.000 0.959 681 D HN 0.485 nan 8.370 nan 0.000 0.452 682 H N -0.719 118.424 119.070 0.122 0.000 2.423 682 H HA -0.112 4.444 4.556 0.000 0.000 0.297 682 H C 1.863 177.274 175.328 0.139 0.000 1.075 682 H CA 0.942 57.046 56.048 0.093 0.000 1.342 682 H CB -0.032 29.750 29.762 0.033 0.000 1.395 682 H HN 0.195 nan 8.280 nan 0.000 0.530 683 Y N 0.894 121.241 120.300 0.078 0.000 2.165 683 Y HA -0.219 4.331 4.550 -0.000 0.000 0.286 683 Y C 2.752 178.647 175.900 -0.008 0.000 1.155 683 Y CA 1.718 59.865 58.100 0.079 0.000 1.164 683 Y CB 0.025 38.540 38.460 0.092 0.000 0.978 683 Y HN 0.089 nan 8.280 nan 0.000 0.513 684 R N -0.093 120.493 120.500 0.143 0.000 2.119 684 R HA -0.045 4.295 4.340 -0.000 0.000 0.222 684 R C 1.370 177.658 176.300 -0.020 0.000 1.088 684 R CA 1.078 57.203 56.100 0.042 0.000 0.984 684 R CB -0.409 29.914 30.300 0.039 0.000 0.884 684 R HN 0.217 nan 8.270 nan 0.000 0.447 685 N N -0.597 118.062 118.700 -0.067 0.000 2.461 685 N HA -0.022 4.718 4.740 -0.000 0.000 0.188 685 N C -0.251 175.155 175.510 -0.174 0.000 1.134 685 N CA 0.672 53.661 53.050 -0.101 0.000 0.878 685 N CB 0.452 38.902 38.487 -0.061 0.000 0.972 685 N HN 0.142 nan 8.380 nan 0.000 0.456 686 S N -1.845 113.734 115.700 -0.202 0.000 2.809 686 S HA 0.146 4.616 4.470 -0.000 0.000 0.248 686 S C 0.394 175.037 174.600 0.073 0.000 1.071 686 S CA -0.807 57.333 58.200 -0.100 0.000 1.059 686 S CB -0.447 62.617 63.200 -0.227 0.000 0.923 686 S HN 0.159 nan 8.310 nan 0.000 0.516 687 T N -1.542 113.010 114.554 -0.004 0.000 2.899 687 T HA 0.523 4.873 4.350 -0.000 0.000 0.284 687 T C 1.312 176.005 174.700 -0.011 0.000 1.004 687 T CA -0.612 61.473 62.100 -0.024 0.000 1.043 687 T CB 1.239 70.056 68.868 -0.085 0.000 1.013 687 T HN -0.033 nan 8.240 nan 0.000 0.518 688 V N 1.258 121.161 119.914 -0.019 0.000 2.548 688 V HA -0.096 4.024 4.120 -0.000 0.000 0.249 688 V C 2.534 178.592 176.094 -0.061 0.000 1.055 688 V CA 1.286 63.563 62.300 -0.040 0.000 1.065 688 V CB -1.004 30.793 31.823 -0.044 0.000 0.681 688 V HN 0.774 nan 8.190 nan 0.000 0.462 689 M N 1.254 120.807 119.600 -0.077 0.000 2.149 689 M HA -0.167 4.313 4.480 -0.000 0.000 0.261 689 M C 2.413 178.679 176.300 -0.056 0.000 1.064 689 M CA 2.201 57.449 55.300 -0.086 0.000 1.102 689 M CB -1.148 31.412 32.600 -0.067 0.000 1.369 689 M HN 0.538 nan 8.290 nan 0.000 0.408 690 S N -0.048 115.629 115.700 -0.037 0.000 2.442 690 S HA -0.107 4.363 4.470 -0.000 0.000 0.236 690 S C 1.720 176.318 174.600 -0.003 0.000 1.007 690 S CA 0.802 58.989 58.200 -0.021 0.000 0.965 690 S CB -0.484 62.703 63.200 -0.023 0.000 0.773 690 S HN 0.563 nan 8.310 nan 0.000 0.504 691 R N 0.627 121.136 120.500 0.014 0.000 2.466 691 R HA 0.471 4.811 4.340 -0.000 0.000 0.279 691 R C 2.000 178.381 176.300 0.135 0.000 0.976 691 R CA 0.388 56.519 56.100 0.052 0.000 1.081 691 R CB -0.198 30.125 30.300 0.038 0.000 1.215 691 R HN 0.474 nan 8.270 nan 0.000 0.546 692 A N 2.153 125.005 122.820 0.054 0.000 1.917 692 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 692 A C 1.862 179.515 177.584 0.114 0.000 1.182 692 A CA 1.479 53.525 52.037 0.015 0.000 0.633 692 A CB -0.159 18.793 19.000 -0.081 0.000 0.819 692 A HN 0.365 nan 8.150 nan 0.000 0.448 693 E N 0.027 120.274 120.200 0.078 0.000 2.110 693 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 693 E C 1.206 177.862 176.600 0.093 0.000 0.988 693 E CA 1.135 57.578 56.400 0.073 0.000 0.804 693 E CB -0.448 29.277 29.700 0.042 0.000 0.745 693 E HN 0.590 nan 8.360 nan 0.000 0.458 694 N N 0.444 119.195 118.700 0.085 0.000 2.520 694 N HA -0.065 4.675 4.740 -0.000 0.000 0.185 694 N C 1.198 176.703 175.510 -0.009 0.000 1.068 694 N CA 0.548 53.608 53.050 0.016 0.000 0.911 694 N CB -0.200 38.256 38.487 -0.052 0.000 0.961 694 N HN 0.140 nan 8.380 nan 0.000 0.446 695 F N 2.026 121.930 119.950 -0.076 0.000 2.604 695 F HA -0.030 4.497 4.527 0.000 0.000 0.298 695 F C 2.132 177.933 175.800 0.003 0.000 1.131 695 F CA 0.547 58.495 58.000 -0.087 0.000 1.457 695 F CB -0.001 38.898 39.000 -0.168 0.000 1.095 695 F HN 0.125 nan 8.300 nan 0.000 0.574 696 K N 0.205 120.707 120.400 0.171 0.000 2.280 696 K HA -0.195 4.125 4.320 -0.000 0.000 0.202 696 K C 1.149 177.808 176.600 0.099 0.000 1.047 696 K CA 1.405 57.772 56.287 0.134 0.000 0.942 696 K CB -0.574 31.986 32.500 0.099 0.000 0.739 696 K HN 0.340 nan 8.250 nan 0.000 0.457 697 Q N 1.451 121.286 119.800 0.060 0.000 2.415 697 Q HA 0.070 4.410 4.340 -0.000 0.000 0.206 697 Q C 0.044 176.074 176.000 0.051 0.000 0.946 697 Q CA -0.003 55.824 55.803 0.040 0.000 0.951 697 Q CB 0.486 29.230 28.738 0.009 0.000 1.026 697 Q HN 0.354 nan 8.270 nan 0.000 0.510 698 V N -3.978 115.985 119.914 0.082 0.000 3.178 698 V HA 0.416 4.536 4.120 -0.000 0.000 0.302 698 V C -1.423 174.796 176.094 0.208 0.000 1.262 698 V CA -1.400 60.968 62.300 0.113 0.000 1.030 698 V CB 2.215 34.066 31.823 0.046 0.000 1.074 698 V HN -0.052 nan 8.190 nan 0.000 0.438 699 E N 1.798 122.141 120.200 0.237 0.000 2.130 699 E HA 0.483 4.833 4.350 -0.000 0.000 0.284 699 E C -1.748 175.171 176.600 0.532 0.000 1.018 699 E CA -0.285 56.310 56.400 0.324 0.000 0.817 699 E CB 1.402 31.206 29.700 0.172 0.000 1.078 699 E HN 0.667 nan 8.360 nan 0.000 0.396 700 Y N 3.870 124.417 120.300 0.412 0.000 2.350 700 Y HA 0.413 4.963 4.550 -0.000 0.000 0.338 700 Y C -1.614 174.448 175.900 0.270 0.000 0.961 700 Y CA -1.554 56.764 58.100 0.363 0.000 1.100 700 Y CB 0.922 39.636 38.460 0.422 0.000 1.179 700 Y HN 0.411 nan 8.280 nan 0.000 0.454 701 L N 7.964 129.018 121.223 -0.283 0.000 2.305 701 L HA 0.620 4.960 4.340 -0.000 0.000 0.284 701 L C -2.062 174.407 176.870 -0.667 0.000 1.013 701 L CA -0.789 53.722 54.840 -0.549 0.000 0.819 701 L CB 1.211 42.585 42.059 -1.142 0.000 1.227 701 L HN 0.653 nan 8.230 nan 0.000 0.417 702 L N 6.686 127.606 121.223 -0.506 0.000 2.313 702 L HA 0.712 5.052 4.340 -0.000 0.000 0.283 702 L C -1.147 175.608 176.870 -0.190 0.000 1.013 702 L CA -0.003 54.571 54.840 -0.443 0.000 0.816 702 L CB 1.181 42.994 42.059 -0.411 0.000 1.236 702 L HN 0.629 nan 8.230 nan 0.000 0.419 703 I N 4.269 124.735 120.570 -0.173 0.000 2.689 703 I HA 0.523 4.693 4.170 -0.000 0.000 0.299 703 I C -1.191 174.909 176.117 -0.028 0.000 1.059 703 I CA -0.755 60.499 61.300 -0.076 0.000 1.055 703 I CB 2.161 40.078 38.000 -0.139 0.000 1.243 703 I HN 0.694 nan 8.210 nan 0.000 0.425 704 H N 1.777 120.890 119.070 0.072 0.000 3.140 704 H HA 0.446 5.002 4.556 -0.000 0.000 0.336 704 H C -0.519 175.025 175.328 0.359 0.000 1.142 704 H CA -0.546 55.594 56.048 0.153 0.000 1.308 704 H CB 1.729 31.560 29.762 0.115 0.000 1.970 704 H HN 0.766 nan 8.280 nan 0.000 0.521 705 G N 0.817 109.939 108.800 0.536 0.000 2.444 705 G HA2 0.267 4.227 3.960 -0.000 0.000 0.268 705 G HA3 0.267 4.227 3.960 -0.000 0.000 0.268 705 G C 1.112 176.273 174.900 0.435 0.000 1.203 705 G CA 0.128 45.504 45.100 0.461 0.000 0.835 705 G HN 0.726 nan 8.290 nan 0.000 0.543 706 T N -1.329 113.324 114.554 0.165 0.000 3.067 706 T HA 0.184 4.534 4.350 -0.000 0.000 0.261 706 T C 1.697 176.356 174.700 -0.067 0.000 1.110 706 T CA 1.185 63.193 62.100 -0.154 0.000 1.113 706 T CB 0.219 68.901 68.868 -0.309 0.000 0.917 706 T HN 0.661 nan 8.240 nan 0.000 0.499 707 A N 1.075 123.934 122.820 0.065 0.000 2.507 707 A HA 0.301 4.621 4.320 -0.000 0.000 0.270 707 A C 0.535 178.066 177.584 -0.089 0.000 1.318 707 A CA -0.440 51.622 52.037 0.042 0.000 0.924 707 A CB -0.329 18.943 19.000 0.452 0.000 1.061 707 A HN 0.406 nan 8.150 nan 0.000 0.516 708 D N 1.686 122.074 120.400 -0.021 0.000 2.349 708 D HA -0.040 4.600 4.640 -0.000 0.000 0.266 708 D C 0.466 176.737 176.300 -0.049 0.000 1.293 708 D CA 0.248 54.333 54.000 0.141 0.000 0.926 708 D CB 0.560 41.590 40.800 0.382 0.000 1.090 708 D HN 0.581 nan 8.370 nan 0.000 0.502 709 D N 2.069 122.502 120.400 0.054 0.000 2.355 709 D HA -0.104 4.536 4.640 -0.000 0.000 0.218 709 D C 0.935 177.293 176.300 0.097 0.000 1.004 709 D CA 0.107 54.121 54.000 0.023 0.000 0.880 709 D CB 0.241 41.014 40.800 -0.045 0.000 0.911 709 D HN 0.452 nan 8.370 nan 0.000 0.528 710 N N -0.053 118.751 118.700 0.174 0.000 2.418 710 N HA -0.016 4.724 4.740 -0.000 0.000 0.199 710 N C -0.219 175.246 175.510 -0.075 0.000 1.044 710 N CA 0.097 53.287 53.050 0.233 0.000 0.943 710 N CB 0.833 39.426 38.487 0.178 0.000 1.154 710 N HN -0.171 nan 8.380 nan 0.000 0.467 711 V N 2.503 122.312 119.914 -0.175 0.000 2.304 711 V HA 0.210 4.330 4.120 -0.000 0.000 0.269 711 V C -0.962 175.157 176.094 0.041 0.000 1.036 711 V CA -0.369 61.880 62.300 -0.086 0.000 0.840 711 V CB -0.008 31.799 31.823 -0.027 0.000 1.036 711 V HN 0.338 nan 8.190 nan 0.000 0.466 712 H N 3.425 122.473 119.070 -0.036 0.000 2.897 712 H HA -0.013 4.543 4.556 0.000 0.000 0.347 712 H C 0.833 176.016 175.328 -0.242 0.000 1.068 712 H CA -0.050 55.901 56.048 -0.162 0.000 1.426 712 H CB 0.731 30.312 29.762 -0.302 0.000 1.410 712 H HN 0.623 nan 8.280 nan 0.000 0.597 713 F N 2.300 122.033 119.950 -0.361 0.000 2.147 713 F HA -0.350 4.177 4.527 0.000 0.000 0.301 713 F C 2.629 178.141 175.800 -0.481 0.000 1.084 713 F CA 2.027 59.604 58.000 -0.706 0.000 1.268 713 F CB -0.214 38.562 39.000 -0.372 0.000 1.009 713 F HN 0.696 nan 8.300 nan 0.000 0.486 714 Q N 0.106 119.781 119.800 -0.208 0.000 2.197 714 Q HA -0.331 4.009 4.340 -0.000 0.000 0.211 714 Q C 2.047 177.802 176.000 -0.409 0.000 0.993 714 Q CA 2.327 57.949 55.803 -0.303 0.000 0.883 714 Q CB -0.420 28.107 28.738 -0.352 0.000 0.916 714 Q HN 0.613 nan 8.270 nan 0.000 0.418 715 Q N -0.188 119.402 119.800 -0.351 0.000 2.061 715 Q HA -0.122 4.218 4.340 -0.000 0.000 0.204 715 Q C 2.268 178.151 176.000 -0.196 0.000 0.984 715 Q CA 1.834 57.542 55.803 -0.158 0.000 0.846 715 Q CB -0.116 28.606 28.738 -0.026 0.000 0.902 715 Q HN 0.368 nan 8.270 nan 0.000 0.421 716 S N 0.698 116.172 115.700 -0.377 0.000 2.436 716 S HA 0.017 4.487 4.470 -0.000 0.000 0.228 716 S C 2.002 176.340 174.600 -0.437 0.000 1.014 716 S CA 0.645 58.639 58.200 -0.344 0.000 0.950 716 S CB -0.043 62.977 63.200 -0.300 0.000 0.784 716 S HN 0.446 nan 8.310 nan 0.000 0.504 717 A N 1.398 123.855 122.820 -0.605 0.000 1.972 717 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 717 A C 2.117 179.584 177.584 -0.195 0.000 1.169 717 A CA 1.063 52.868 52.037 -0.385 0.000 0.635 717 A CB -0.347 18.477 19.000 -0.293 0.000 0.810 717 A HN 0.351 nan 8.150 nan 0.000 0.446 718 Q N -0.663 119.038 119.800 -0.165 0.000 2.245 718 Q HA 0.053 4.393 4.340 -0.000 0.000 0.201 718 Q C 2.030 177.973 176.000 -0.095 0.000 0.955 718 Q CA 0.730 56.494 55.803 -0.065 0.000 0.870 718 Q CB -0.200 28.581 28.738 0.071 0.000 0.945 718 Q HN 0.773 nan 8.270 nan 0.000 0.461 719 I N 1.102 121.585 120.570 -0.145 0.000 2.252 719 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 719 I C 2.475 178.422 176.117 -0.282 0.000 1.102 719 I CA 1.434 62.608 61.300 -0.209 0.000 1.385 719 I CB -0.213 37.666 38.000 -0.201 0.000 1.064 719 I HN 0.180 nan 8.210 nan 0.000 0.414 720 S N 0.480 116.044 115.700 -0.226 0.000 2.371 720 S HA -0.226 4.244 4.470 -0.000 0.000 0.224 720 S C 2.042 176.622 174.600 -0.034 0.000 1.029 720 S CA 0.964 59.074 58.200 -0.151 0.000 0.978 720 S CB -0.392 62.835 63.200 0.044 0.000 0.833 720 S HN 0.348 nan 8.310 nan 0.000 0.466 721 K N 1.564 121.940 120.400 -0.040 0.000 2.097 721 K HA -0.003 4.317 4.320 -0.000 0.000 0.206 721 K C 2.266 178.849 176.600 -0.029 0.000 1.049 721 K CA 1.134 57.413 56.287 -0.012 0.000 0.933 721 K CB -0.552 31.937 32.500 -0.019 0.000 0.717 721 K HN 0.474 nan 8.250 nan 0.000 0.442 722 A N 1.157 123.931 122.820 -0.078 0.000 1.872 722 A HA -0.079 4.241 4.320 -0.000 0.000 0.214 722 A C 2.074 179.599 177.584 -0.099 0.000 1.187 722 A CA 1.018 53.002 52.037 -0.087 0.000 0.614 722 A CB -0.537 18.392 19.000 -0.120 0.000 0.826 722 A HN 0.272 nan 8.150 nan 0.000 0.442 723 L N -0.461 120.659 121.223 -0.172 0.000 2.012 723 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 723 L C 2.531 179.429 176.870 0.046 0.000 1.073 723 L CA 1.279 56.039 54.840 -0.133 0.000 0.748 723 L CB -0.754 41.106 42.059 -0.333 0.000 0.891 723 L HN 0.236 nan 8.230 nan 0.000 0.431 724 V N -0.191 119.781 119.914 0.096 0.000 2.332 724 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 724 V C 2.061 178.189 176.094 0.056 0.000 1.055 724 V CA 1.913 64.279 62.300 0.110 0.000 1.038 724 V CB -0.548 31.341 31.823 0.109 0.000 0.651 724 V HN 0.443 nan 8.190 nan 0.000 0.450 725 D N -0.610 119.807 120.400 0.028 0.000 2.265 725 D HA -0.107 4.533 4.640 -0.000 0.000 0.208 725 D C 1.744 178.056 176.300 0.021 0.000 0.977 725 D CA 1.015 55.026 54.000 0.019 0.000 0.871 725 D CB 0.141 40.944 40.800 0.006 0.000 0.925 725 D HN 0.361 nan 8.370 nan 0.000 0.485 726 V N -0.875 119.054 119.914 0.025 0.000 3.578 726 V HA 0.232 4.352 4.120 -0.000 0.000 0.290 726 V C 1.114 177.235 176.094 0.045 0.000 1.376 726 V CA 0.732 63.049 62.300 0.029 0.000 1.083 726 V CB 0.518 32.352 31.823 0.019 0.000 0.911 726 V HN 0.331 nan 8.190 nan 0.000 0.433 727 G N 0.840 109.674 108.800 0.058 0.000 2.212 727 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.255 727 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.255 727 G C -0.035 174.920 174.900 0.091 0.000 1.062 727 G CA 0.289 45.429 45.100 0.067 0.000 0.815 727 G HN 0.426 nan 8.290 nan 0.000 0.497 728 V N 0.404 120.395 119.914 0.128 0.000 2.394 728 V HA 0.496 4.616 4.120 -0.000 0.000 0.282 728 V C 0.377 176.633 176.094 0.270 0.000 1.031 728 V CA -0.521 61.886 62.300 0.178 0.000 0.881 728 V CB 1.777 33.704 31.823 0.173 0.000 0.982 728 V HN 0.424 nan 8.190 nan 0.000 0.451 729 D N 3.772 124.303 120.400 0.220 0.000 2.304 729 D HA 0.635 5.275 4.640 -0.000 0.000 0.247 729 D C -0.600 175.902 176.300 0.337 0.000 1.089 729 D CA 0.213 54.317 54.000 0.173 0.000 0.910 729 D CB 0.834 41.682 40.800 0.080 0.000 1.199 729 D HN 0.364 nan 8.370 nan 0.000 0.426 730 F N -0.651 119.375 119.950 0.127 0.000 2.817 730 F HA 0.433 4.960 4.527 0.000 0.000 0.317 730 F C -1.568 174.295 175.800 0.106 0.000 1.168 730 F CA -1.129 56.974 58.000 0.172 0.000 0.911 730 F CB 0.690 39.831 39.000 0.235 0.000 1.337 730 F HN 0.136 nan 8.300 nan 0.000 0.464 731 Q N 1.354 121.292 119.800 0.230 0.000 2.248 731 Q HA 0.858 5.198 4.340 -0.000 0.000 0.263 731 Q C -0.998 175.068 176.000 0.111 0.000 1.007 731 Q CA -1.053 54.782 55.803 0.052 0.000 0.877 731 Q CB 2.410 31.208 28.738 0.100 0.000 1.315 731 Q HN 1.064 nan 8.270 nan 0.000 0.454 732 A N 1.536 124.369 122.820 0.022 0.000 2.556 732 A HA 0.845 5.165 4.320 -0.000 0.000 0.294 732 A C -1.260 176.291 177.584 -0.055 0.000 1.091 732 A CA -0.602 51.464 52.037 0.048 0.000 0.704 732 A CB 2.093 21.189 19.000 0.159 0.000 1.300 732 A HN 0.565 nan 8.150 nan 0.000 0.406 733 M N 1.447 120.995 119.600 -0.085 0.000 2.265 733 M HA 0.303 4.783 4.480 -0.000 0.000 0.262 733 M C -2.059 174.128 176.300 -0.188 0.000 1.026 733 M CA -0.450 54.656 55.300 -0.324 0.000 0.987 733 M CB 1.377 33.736 32.600 -0.402 0.000 1.937 733 M HN 0.922 nan 8.290 nan 0.000 0.481 734 W N 4.319 125.488 121.300 -0.218 0.000 2.512 734 W HA 0.728 5.388 4.660 -0.000 0.000 0.335 734 W C -1.899 174.398 176.519 -0.370 0.000 1.088 734 W CA -0.793 56.503 57.345 -0.082 0.000 1.236 734 W CB 0.233 29.682 29.460 -0.019 0.000 1.307 734 W HN 0.545 nan 8.180 nan 0.000 0.567 735 Y N 2.990 123.395 120.300 0.175 0.000 2.402 735 Y HA 0.297 4.847 4.550 0.000 0.000 0.332 735 Y C 0.678 176.684 175.900 0.178 0.000 0.960 735 Y CA -0.912 57.213 58.100 0.042 0.000 1.228 735 Y CB 1.166 39.607 38.460 -0.031 0.000 1.120 735 Y HN 0.429 nan 8.280 nan 0.000 0.491 736 T N 4.526 119.261 114.554 0.301 0.000 2.866 736 T HA -0.047 4.303 4.350 -0.000 0.000 0.293 736 T C 0.311 175.070 174.700 0.099 0.000 1.005 736 T CA 0.708 62.908 62.100 0.167 0.000 1.162 736 T CB -0.058 68.850 68.868 0.068 0.000 0.968 736 T HN 0.730 nan 8.240 nan 0.000 0.530 737 D N 0.467 120.896 120.400 0.047 0.000 2.978 737 D HA -0.123 4.517 4.640 -0.000 0.000 0.205 737 D C 0.357 176.754 176.300 0.162 0.000 1.093 737 D CA 1.222 55.175 54.000 -0.078 0.000 1.006 737 D CB -0.306 40.270 40.800 -0.373 0.000 1.116 737 D HN 0.555 nan 8.370 nan 0.000 0.419 738 E N 0.787 121.111 120.200 0.206 0.000 2.318 738 E HA 0.341 4.691 4.350 -0.000 0.000 0.265 738 E C 0.723 177.495 176.600 0.287 0.000 1.069 738 E CA -0.230 56.316 56.400 0.243 0.000 0.893 738 E CB 1.253 31.084 29.700 0.218 0.000 1.076 738 E HN 0.342 nan 8.360 nan 0.000 0.414 739 D N -0.676 119.910 120.400 0.310 0.000 2.570 739 D HA 0.010 4.650 4.640 -0.000 0.000 0.266 739 D C 1.076 177.614 176.300 0.397 0.000 1.182 739 D CA -0.152 54.058 54.000 0.351 0.000 1.088 739 D CB -0.282 40.750 40.800 0.388 0.000 1.186 739 D HN 0.355 nan 8.370 nan 0.000 0.618 740 H N -1.488 117.763 119.070 0.302 0.000 2.457 740 H HA 0.106 4.662 4.556 -0.000 0.000 0.297 740 H C 1.819 177.421 175.328 0.456 0.000 1.092 740 H CA 2.130 58.382 56.048 0.339 0.000 1.309 740 H CB -0.367 29.579 29.762 0.308 0.000 1.382 740 H HN 0.507 nan 8.280 nan 0.000 0.535 741 G N -0.633 108.380 108.800 0.354 0.000 2.838 741 G HA2 0.054 4.014 3.960 -0.000 0.000 0.210 741 G HA3 0.054 4.014 3.960 -0.000 0.000 0.210 741 G C 0.612 175.740 174.900 0.380 0.000 1.153 741 G CA 0.223 45.454 45.100 0.218 0.000 0.778 741 G HN 0.483 nan 8.290 nan 0.000 0.539 742 I N 0.069 120.863 120.570 0.372 0.000 5.158 742 I HA -0.335 3.835 4.170 -0.000 0.000 0.126 742 I C 1.632 177.884 176.117 0.224 0.000 1.344 742 I CA 0.150 61.603 61.300 0.255 0.000 2.637 742 I CB -1.169 36.943 38.000 0.188 0.000 2.338 742 I HN 0.258 nan 8.210 nan 0.000 0.320 743 A N 0.901 123.822 122.820 0.169 0.000 2.308 743 A HA 0.255 4.575 4.320 -0.000 0.000 0.217 743 A C 1.210 178.835 177.584 0.068 0.000 1.216 743 A CA 0.570 52.664 52.037 0.094 0.000 0.864 743 A CB 0.078 19.096 19.000 0.030 0.000 0.902 743 A HN 0.617 nan 8.150 nan 0.000 0.499 744 S N 0.028 115.786 115.700 0.096 0.000 2.560 744 S HA 0.165 4.635 4.470 -0.000 0.000 0.284 744 S C 1.220 175.869 174.600 0.081 0.000 1.327 744 S CA 0.270 58.519 58.200 0.082 0.000 1.055 744 S CB 1.133 64.391 63.200 0.097 0.000 0.868 744 S HN 0.578 nan 8.310 nan 0.000 0.506 745 S N 2.741 118.474 115.700 0.055 0.000 2.380 745 S HA -0.247 4.223 4.470 -0.000 0.000 0.229 745 S C 2.120 176.777 174.600 0.095 0.000 1.050 745 S CA 2.490 60.725 58.200 0.058 0.000 1.100 745 S CB -1.706 61.510 63.200 0.027 0.000 0.984 745 S HN 1.093 nan 8.310 nan 0.000 0.434 746 T N -0.294 114.307 114.554 0.078 0.000 2.867 746 T HA 0.160 4.510 4.350 -0.000 0.000 0.268 746 T C 1.962 176.723 174.700 0.101 0.000 1.057 746 T CA 1.438 63.589 62.100 0.086 0.000 1.136 746 T CB -0.943 67.975 68.868 0.082 0.000 0.874 746 T HN 0.554 nan 8.240 nan 0.000 0.466 747 A N 1.462 124.323 122.820 0.068 0.000 1.873 747 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 747 A C 2.191 179.736 177.584 -0.066 0.000 1.186 747 A CA 1.984 53.993 52.037 -0.047 0.000 0.616 747 A CB -1.296 17.648 19.000 -0.093 0.000 0.823 747 A HN 0.725 nan 8.150 nan 0.000 0.442 748 H N -0.089 118.963 119.070 -0.030 0.000 2.289 748 H HA -0.184 4.372 4.556 -0.000 0.000 0.296 748 H C 2.132 177.515 175.328 0.092 0.000 1.091 748 H CA 2.470 58.551 56.048 0.054 0.000 1.274 748 H CB -0.284 29.502 29.762 0.041 0.000 1.364 748 H HN 0.580 nan 8.280 nan 0.000 0.490 749 Q N -1.404 118.390 119.800 -0.010 0.000 2.124 749 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 749 Q C 2.168 178.151 176.000 -0.029 0.000 0.977 749 Q CA 1.721 57.484 55.803 -0.068 0.000 0.850 749 Q CB -0.163 28.567 28.738 -0.014 0.000 0.901 749 Q HN 0.694 nan 8.270 nan 0.000 0.429 750 H N 0.101 119.133 119.070 -0.065 0.000 2.333 750 H HA -0.038 4.518 4.556 -0.000 0.000 0.302 750 H C 2.025 177.334 175.328 -0.032 0.000 1.075 750 H CA 1.372 57.412 56.048 -0.012 0.000 1.348 750 H CB 0.107 29.918 29.762 0.081 0.000 1.393 750 H HN 0.217 nan 8.280 nan 0.000 0.509 751 I N -0.187 120.383 120.570 0.000 0.000 2.179 751 I HA -0.335 3.835 4.170 -0.000 0.000 0.242 751 I C 1.343 177.268 176.117 -0.321 0.000 1.088 751 I CA 1.429 62.629 61.300 -0.167 0.000 1.357 751 I CB -0.125 37.553 38.000 -0.537 0.000 1.051 751 I HN 0.336 nan 8.210 nan 0.000 0.409 752 Y N 0.771 120.881 120.300 -0.318 0.000 2.352 752 Y HA -0.184 4.366 4.550 -0.000 0.000 0.292 752 Y C 2.658 178.397 175.900 -0.268 0.000 1.136 752 Y CA 1.681 59.498 58.100 -0.472 0.000 1.227 752 Y CB -0.702 37.468 38.460 -0.484 0.000 0.991 752 Y HN 0.169 nan 8.280 nan 0.000 0.545 753 T N -1.805 112.701 114.554 -0.080 0.000 2.812 753 T HA -0.200 4.150 4.350 -0.000 0.000 0.264 753 T C 1.551 176.156 174.700 -0.157 0.000 1.042 753 T CA 1.716 63.719 62.100 -0.162 0.000 1.140 753 T CB -0.381 68.368 68.868 -0.198 0.000 0.870 753 T HN 0.381 nan 8.240 nan 0.000 0.445 754 H N 0.861 119.858 119.070 -0.122 0.000 2.353 754 H HA 0.126 4.682 4.556 -0.000 0.000 0.300 754 H C 2.077 177.407 175.328 0.002 0.000 1.090 754 H CA 1.512 57.555 56.048 -0.008 0.000 1.327 754 H CB -0.216 29.588 29.762 0.070 0.000 1.383 754 H HN 0.271 nan 8.280 nan 0.000 0.508 755 M N -1.051 118.489 119.600 -0.100 0.000 2.254 755 M HA -0.097 4.383 4.480 -0.000 0.000 0.265 755 M C 2.296 178.745 176.300 0.248 0.000 1.066 755 M CA 1.119 56.366 55.300 -0.089 0.000 1.123 755 M CB 0.222 32.538 32.600 -0.475 0.000 1.388 755 M HN 0.173 nan 8.290 nan 0.000 0.425 756 S N -0.555 115.322 115.700 0.294 0.000 2.368 756 S HA -0.143 4.327 4.470 -0.000 0.000 0.224 756 S C 1.690 176.422 174.600 0.219 0.000 1.029 756 S CA 0.974 59.418 58.200 0.407 0.000 0.988 756 S CB -0.552 62.898 63.200 0.416 0.000 0.838 756 S HN 0.450 nan 8.310 nan 0.000 0.462 757 H N 0.385 119.539 119.070 0.140 0.000 2.289 757 H HA -0.084 4.472 4.556 -0.000 0.000 0.296 757 H C 1.936 177.289 175.328 0.043 0.000 1.091 757 H CA 1.441 57.527 56.048 0.062 0.000 1.274 757 H CB -0.897 28.864 29.762 -0.002 0.000 1.364 757 H HN 0.432 nan 8.280 nan 0.000 0.490 758 F N 0.730 120.687 119.950 0.012 0.000 2.095 758 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 758 F C 2.543 178.294 175.800 -0.081 0.000 1.104 758 F CA 1.180 59.141 58.000 -0.065 0.000 1.232 758 F CB -0.506 38.425 39.000 -0.116 0.000 0.987 758 F HN 0.006 nan 8.300 nan 0.000 0.475 759 I N -0.010 120.604 120.570 0.073 0.000 2.286 759 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 759 I C 2.388 178.319 176.117 -0.309 0.000 1.104 759 I CA 1.027 62.186 61.300 -0.235 0.000 1.397 759 I CB -0.432 37.487 38.000 -0.134 0.000 1.072 759 I HN 0.027 nan 8.210 nan 0.000 0.417 760 K N 0.666 121.033 120.400 -0.056 0.000 2.044 760 K HA -0.285 4.035 4.320 -0.000 0.000 0.210 760 K C 2.111 178.706 176.600 -0.009 0.000 1.049 760 K CA 2.140 58.444 56.287 0.029 0.000 0.927 760 K CB -0.321 32.248 32.500 0.115 0.000 0.713 760 K HN 0.443 nan 8.250 nan 0.000 0.443 761 Q N 0.461 120.217 119.800 -0.073 0.000 2.172 761 Q HA -0.100 4.240 4.340 -0.000 0.000 0.200 761 Q C 2.142 178.051 176.000 -0.151 0.000 0.964 761 Q CA 1.522 57.268 55.803 -0.095 0.000 0.855 761 Q CB -0.993 27.679 28.738 -0.110 0.000 0.918 761 Q HN 0.260 nan 8.270 nan 0.000 0.444 762 c N -0.296 118.112 118.600 -0.319 0.000 2.419 762 c HA 0.048 4.618 4.570 -0.000 0.000 0.281 762 c C 1.115 175.221 174.090 0.028 0.000 1.336 762 c CA 0.317 56.468 56.329 -0.297 0.000 1.770 762 c CB -1.078 41.095 42.510 -0.562 0.000 1.929 762 c HN 0.609 nan 8.230 nan 0.000 0.509 763 F N 1.621 121.541 119.950 -0.051 0.000 2.639 763 F HA 0.253 4.780 4.527 0.000 0.000 0.300 763 F C 1.510 177.298 175.800 -0.020 0.000 1.109 763 F CA -0.046 57.942 58.000 -0.021 0.000 1.335 763 F CB -1.232 37.764 39.000 -0.006 0.000 1.014 763 F HN 0.149 nan 8.300 nan 0.000 0.537 764 S N 0.867 116.649 115.700 0.137 0.000 3.549 764 S HA -0.232 4.238 4.470 -0.000 0.000 0.366 764 S C 0.012 174.656 174.600 0.073 0.000 1.012 764 S CA 0.222 58.466 58.200 0.072 0.000 1.141 764 S CB -2.139 61.092 63.200 0.053 0.000 0.910 764 S HN 0.276 nan 8.310 nan 0.000 0.471 765 L N 1.039 122.319 121.223 0.094 0.000 2.287 765 L HA 0.458 4.798 4.340 -0.000 0.000 0.287 765 L C -1.573 175.339 176.870 0.069 0.000 1.022 765 L CA -2.155 52.735 54.840 0.084 0.000 0.814 765 L CB 0.862 42.990 42.059 0.115 0.000 1.217 765 L HN 0.013 nan 8.230 nan 0.000 0.420 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.132 63.100 0.053 0.000 0.800 766 P CB 0.000 31.725 31.700 0.041 0.000 0.726